diff --git a/data/.DS_Store b/data/.DS_Store new file mode 100644 index 0000000000000000000000000000000000000000..a459b2039ea2cb0fa09f14e966ab02ae84aa3c4d Binary files /dev/null and b/data/.DS_Store differ diff --git a/data/benchmarks/experimental_affinity.csv b/data/benchmarks/experimental_affinity.csv new file mode 100644 index 0000000000000000000000000000000000000000..92ee9b61b5fde724ed0a86bc7c401e03009b79a1 --- /dev/null +++ b/data/benchmarks/experimental_affinity.csv @@ -0,0 +1,230 @@ +ligand_id,smiles,parent_reference_ligand,standard_type,standard_units,standard_value_median,pchembl_value_median,measurements,source +ref_nutlin3a,COc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1,ref_nutlin3a,IC50,nM,90.0,7.05,23,chembl +ref_nutlin3a_00001,COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1,ref_nutlin3a,IC50,nM,180.0,6.75,3,chembl 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index 0000000000000000000000000000000000000000..053152b6691762f0ff19d887902b082472bbb04b --- /dev/null +++ b/data/benchmarks/mdm2_validation_metadata.json @@ -0,0 +1,17 @@ +{ + "dataset_name": "mdm2_validation_strict", + "target": { + "name": "MDM2", + "pdb_id": "1YCR", + "source_structure": "data/targets/mdm2_1ycr_excerpt.pdb", + "validation_structure": "data/targets/mdm2_1ycr_pocket_excerpt.pdb", + "preparation_note": "Validation structure is a pocket-focused excerpt extracted from the experimental 1YCR target to make strict backend validation computationally tractable." + }, + "ligand_source": { + "table": "data/ligands/mdm2_ligands_validation_strict.csv", + "description": "MDM2-like ligands used for adaptive scheduling validation.", + "selection_note": "Subset chosen from demo table after strict real-rDock screening; ligands that exceeded hard timeout were excluded." + }, + "strict_backend_requirement": true, + "no_fallback_allowed": true +} \ No newline at end of file diff --git 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0000000000000000000000000000000000000000..91c58523c23bf8ea1a6dc040af09719959be4a4f --- /dev/null +++ b/data/ligands/final_strict_run/strict_dataset_3/reference_ligands.csv @@ -0,0 +1,2 @@ +reference_id,pdb_id,ligand_comp_id,ligand_name,reference_smiles,source_structure +ref_nutlin3a_prelim,4HG7,NUT,NUT,Cc1nc2ccccc2n1CC(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,4HG7 diff --git a/data/ligands/final_strict_run/strict_dataset_3/shared_library_shuffled.csv b/data/ligands/final_strict_run/strict_dataset_3/shared_library_shuffled.csv new file mode 100644 index 0000000000000000000000000000000000000000..6e275f7a8aa552811c1ad9c627528dbc77ba7acf --- /dev/null +++ b/data/ligands/final_strict_run/strict_dataset_3/shared_library_shuffled.csv @@ -0,0 +1,1001 @@ 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0000000000000000000000000000000000000000..9737dc923355344e1e58e33cff86916394db98d4 --- /dev/null +++ b/data/ligands/mdm2_ligands_demo.csv @@ -0,0 +1,31 @@ +ligand_id,smiles,source,label +mdm2_001,CN1CCC(CC1)C(c2ccccc2)(c3ccccc3)O,public_mdm2_like,1 +mdm2_002,CC1=CC(=O)NC(=O)N1,public_mdm2_like,0 +mdm2_003,CCOC1=CC=CC=C1N,public_mdm2_like,0 +mdm2_004,CCN(CC)CCOC1=CC=CC=C1Cl,public_mdm2_like,0 +mdm2_005,C1COCCN1CC2=CC=CC=C2,public_mdm2_like,0 +mdm2_006,COC1=CC=C(C=C1)CNC2=NC=CC=C2,public_mdm2_like,1 +mdm2_007,CC(C)OC1=CC=CC=C1C(=O)NCCN,public_mdm2_like,0 +mdm2_008,CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2,public_mdm2_like,1 +mdm2_009,COC1=CC=CC=C1C2=NC=CC(=N2)N,public_mdm2_like,0 +mdm2_010,CCN1CCN(CC1)C2=NC=CC(=N2)C3=CC=CC=C3,public_mdm2_like,1 +mdm2_011,CCOC(=O)NCC1=CC=CC=C1,public_mdm2_like,0 +mdm2_012,CCN(CC)C(=O)C1=CC=CC=C1O,public_mdm2_like,0 +mdm2_013,CN(C)CCOC1=CC=C(C=C1)Cl,public_mdm2_like,0 +mdm2_014,CC1=NC2=CC=CC=C2N1CCO,public_mdm2_like,1 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file mode 100644 index 0000000000000000000000000000000000000000..432b361d70d7813b6c2fabfd4882906654b851b1 --- /dev/null +++ b/data/ligands/mdm2_ligands_validation_strict.csv @@ -0,0 +1,13 @@ +ligand_id,smiles,source,label +mdm2_001,CN1CCC(CC1)C(c2ccccc2)(c3ccccc3)O,public_mdm2_like,1 +mdm2_003,CCOC1=CC=CC=C1N,public_mdm2_like,0 +mdm2_004,CCN(CC)CCOC1=CC=CC=C1Cl,public_mdm2_like,0 +mdm2_005,C1COCCN1CC2=CC=CC=C2,public_mdm2_like,0 +mdm2_006,COC1=CC=C(C=C1)CNC2=NC=CC=C2,public_mdm2_like,1 +mdm2_007,CC(C)OC1=CC=CC=C1C(=O)NCCN,public_mdm2_like,0 +mdm2_008,CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2,public_mdm2_like,1 +mdm2_009,COC1=CC=CC=C1C2=NC=CC(=N2)N,public_mdm2_like,0 +mdm2_010,CCN1CCN(CC1)C2=NC=CC(=N2)C3=CC=CC=C3,public_mdm2_like,1 +mdm2_011,CCOC(=O)NCC1=CC=CC=C1,public_mdm2_like,0 +mdm2_012,CCN(CC)C(=O)C1=CC=CC=C1O,public_mdm2_like,0 +mdm2_013,CN(C)CCOC1=CC=C(C=C1)Cl,public_mdm2_like,0 diff --git a/data/ligands/prelim_set_abl1_1iep/ligand_metadata.csv b/data/ligands/prelim_set_abl1_1iep/ligand_metadata.csv new file mode 100644 index 0000000000000000000000000000000000000000..587036c4e3304add3af05f7938eb8e8b7201c5cb --- /dev/null +++ b/data/ligands/prelim_set_abl1_1iep/ligand_metadata.csv @@ -0,0 +1,1001 @@ +ligand_id,smiles,molecular_formula,molecular_weight,xlogp,tpsa,hbd,hba,rotatable_bonds,heavy_atom_count +ref_imatinib_prelim,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,,,,,,,, +lb_00001,Cc1ccc(NC(=O)c2ccc(CN3CCN([11CH3])CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C29H31N7O,492.6,3.5,86.3,2.0,7.0,7.0,37.0 +lb_00002,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1.Cl,C29H32ClN7O,530.1,,86.3,3.0,7.0,7.0,38.0 +lb_00003,Br.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C29H32BrN7O,574.5,,86.3,3.0,7.0,7.0,38.0 +lb_00004,C.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C30H35N7O,509.6,,86.3,2.0,7.0,7.0,38.0 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+lb_00021,CCC.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C32H39N7O,537.7,,86.3,2.0,7.0,7.0,40.0 +lb_00022,CC.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1.[HH].[HH],C31H41N7O,527.7,,86.3,2.0,7.0,7.0,39.0 +lb_00023,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1.[H-].[Na+],C29H32N7NaO,517.6,,86.3,2.0,8.0,7.0,38.0 +lb_00024,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1.[H-].[H-].[Mg+2],C29H33MgN7O,519.9,,86.3,2.0,9.0,7.0,38.0 +lb_00025,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1.[Ba+2].[H-].[H-],C29H33BaN7O,632.9,,86.3,2.0,9.0,7.0,38.0 +lb_00026,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1.[Ca+2].[H-].[H-],C29H33CaN7O,535.7,,86.3,2.0,9.0,7.0,38.0 +lb_00027,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1.Cl.O,C29H34ClN7O2,548.1,,87.3,4.0,8.0,7.0,39.0 +lb_00028,C1CCCCC1.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C35H43N7O,577.8,,86.3,2.0,7.0,7.0,43.0 +lb_00029,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1.O=P(O)(O)O,C29H34N7O5P,591.6,,164.0,5.0,11.0,7.0,42.0 +lb_00030,CC(=O)O.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C31H35N7O3,553.7,,124.0,3.0,9.0,7.0,41.0 +lb_00031,CCC.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1.[HH].[HH],C32H43N7O,541.7,,86.3,2.0,7.0,7.0,40.0 +lb_00032,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1.O=C(O)C(=O)O,C31H33N7O5,583.6,,161.0,4.0,11.0,8.0,43.0 +lb_00033,Cc1ccc(NC(=O)c2ccc(CN3CCCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C30H33N7O,507.6,3.9,86.3,2.0,7.0,7.0,38.0 +lb_00034,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1.O=S(=O)(O)O,C29H33N7O5S,591.7,,169.0,4.0,11.0,7.0,42.0 +lb_00035,CC(=O)[O-].Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C31H34N7O3-,552.6,,126.0,2.0,9.0,7.0,41.0 +lb_00036,C/C=C/C.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C33H39N7O,549.7,,86.3,2.0,7.0,7.0,41.0 +lb_00037,CCCC.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1.[HH].[HH],C33H45N7O,555.8,,86.3,2.0,7.0,8.0,41.0 +lb_00038,CS(=O)(=O)O.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C30H35N7O4S,589.7,,149.0,3.0,10.0,7.0,42.0 +lb_00039,CS(=O)(=O)O.CS(=O)(=O)O.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C31H39N7O7S2,685.8,,212.0,4.0,13.0,7.0,47.0 +lb_00040,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1.O=C(O)CC(=O)O,C32H35N7O5,597.7,,161.0,4.0,11.0,9.0,44.0 +lb_00041,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1.O=CO,C30H33N7O3,539.6,,124.0,3.0,9.0,7.0,40.0 +lb_00042,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cncc(-c3cccnc3)c2)n1,C34H34N8O,570.7,4.1,99.2,2.0,8.0,8.0,43.0 +lb_00043,C=O.C=O.CSC.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C33H41N7O3S,615.8,,146.0,2.0,10.0,7.0,44.0 +lb_00044,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1.O=[N+]([O-])[O-],C29H31N8O4-,555.6,,149.0,2.0,10.0,7.0,41.0 +lb_00045,CCC(=O)O.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C32H37N7O3,567.7,,124.0,3.0,9.0,8.0,42.0 +lb_00046,Cc1ccc(NC(=O)c2ccc(CN3CCN(C(=O)c4ccc(CN5CCN(C)CC5)cc4)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C41H45N9O2,695.9,4.3,110.0,2.0,9.0,10.0,52.0 +lb_00047,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1.O=[N+]([O-])O,C29H32N8O4,556.6,,152.0,3.0,10.0,7.0,41.0 +lb_00048,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1.c1ccc(Nc2ncccn2)cc1,C39H40N10O,664.8,,124.0,3.0,10.0,9.0,50.0 +lb_00049,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1.O=C(O)/C=C/C(=O)O,C33H35N7O5,609.7,,161.0,4.0,11.0,9.0,45.0 +lb_00050,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1.O=C(O)/C=C\C(=O)O,C33H35N7O5,609.7,,161.0,4.0,11.0,9.0,45.0 +lb_00051,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1.O=C(O)C(Cl)Cl,C31H33Cl2N7O3,622.5,,124.0,3.0,9.0,8.0,43.0 +lb_00052,Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C29H31N7O,493.6,3.5,86.3,2.0,7.0,7.0,37.0 +lb_00053,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1.O=C(O)CCCCC(=O)O,C35H41N7O5,639.7,,161.0,4.0,11.0,12.0,47.0 +lb_00054,[2H]C([2H])([2H])N1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)CC1,C29H31N7O,496.6,3.5,86.3,2.0,7.0,7.0,37.0 +lb_00055,[2H]C([2H])([2H])c1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C29H31N7O,496.6,3.5,86.3,2.0,7.0,7.0,37.0 +lb_00056,[2H][13C]([2H])([2H])N1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)CC1,C29H31N7O,497.6,3.5,86.3,2.0,7.0,7.0,37.0 +lb_00057,CC.Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C31H37N7O,523.7,,86.3,2.0,7.0,7.0,39.0 +lb_00058,Cc1ccc(NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C35H35N7O,569.7,5.0,86.3,2.0,7.0,9.0,43.0 +lb_00059,CC.CN=C(N)N.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C33H44N10O,596.8,,151.0,4.0,8.0,7.0,44.0 +lb_00060,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1.NC(=O)c1ccccc1,C36H38N8O2,614.7,,129.0,3.0,8.0,8.0,46.0 +lb_00061,CCCCCCl.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C34H42ClN7O,600.2,,86.3,2.0,7.0,10.0,43.0 +lb_00062,[2H]c1ccncc1-c1ccnc(Nc2cc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)ccc2C)n1,C29H31N7O,494.6,3.5,86.3,2.0,7.0,7.0,37.0 +lb_00063,Cc1ccc(NC(=O)c2ccc(CN3CCN(CCO)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C30H33N7O2,523.6,2.8,107.0,3.0,8.0,9.0,39.0 +lb_00064,CCCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)CC1,C31H35N7O,521.7,4.4,86.3,2.0,7.0,9.0,39.0 +lb_00065,Cc1ccc(NC(=O)c2ccc(CN3CCN(CCCl)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C30H32ClN7O,542.1,4.1,86.3,2.0,7.0,9.0,39.0 +lb_00066,CCC.Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C32H39N7O,537.7,,86.3,2.0,7.0,7.0,40.0 +lb_00067,Cc1cc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)ccc1Nc1nccc(-c2cccnc2)n1,C29H31N7O,493.6,3.5,86.3,2.0,7.0,7.0,37.0 +lb_00068,CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)CC1,C30H33N7O,507.6,3.9,86.3,2.0,7.0,8.0,38.0 +lb_00069,Cc1ccc(NC(=O)c2ccc(CN3CCN(O)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C28H29N7O2,495.6,3.0,107.0,3.0,8.0,7.0,37.0 +lb_00070,Cc1ccc(NC(=O)c2ccc(CN3CCCC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C28H28N6O,464.6,4.2,83.0,2.0,6.0,7.0,35.0 +lb_00071,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1.O=S(=O)(O)c1ccccc1,C35H37N7O4S,651.8,,149.0,3.0,10.0,8.0,47.0 +lb_00072,Cc1ccc(NC(=O)c2ccc(CN3CCN(CCF)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C30H32FN7O,525.6,3.9,86.3,2.0,8.0,9.0,39.0 +lb_00073,Cc1ccc(NC(=O)c2ccc(CN3CCN(CC[18F])CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C30H32FN7O,524.6,3.9,86.3,2.0,8.0,9.0,39.0 +lb_00074,Cc1ccc(NC(=O)c2ccc(CN3CCN(CCN)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C30H34N8O,522.6,2.6,112.0,3.0,8.0,9.0,39.0 +lb_00075,Cc1ccc(NC(=O)c2ccc(CN3CCN(Cc4ccc(I)cc4)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C35H34IN7O,695.6,5.7,86.3,2.0,7.0,9.0,44.0 +lb_00076,Cc1ccc(NC(=O)c2ccc(CN3CCN(Cc4ccc(F)cc4)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C35H34FN7O,587.7,5.1,86.3,2.0,8.0,9.0,44.0 +lb_00077,CC.CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)CC1,C32H39N7O,537.7,,86.3,2.0,7.0,8.0,40.0 +lb_00078,Cc1ccc(NC(=O)c2ccc(CN3CCN(I)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C28H28IN7O,605.5,3.9,86.3,2.0,7.0,7.0,37.0 +lb_00079,[2H]C([2H])(c1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1)N1CCN(C)CC1,C29H31N7O,495.6,3.5,86.3,2.0,7.0,7.0,37.0 +lb_00080,Cc1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C29H30N6O,478.6,4.6,83.0,2.0,6.0,7.0,36.0 +lb_00081,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cncnc2)n1,C28H30N8O,494.6,2.9,99.2,2.0,8.0,7.0,37.0 +lb_00082,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2ccccc2)n1,C30H32N6O,492.6,4.6,73.4,2.0,6.0,7.0,37.0 +lb_00083,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1.NC(N)c1ccccc1,C36H41N9O,615.8,,138.0,4.0,9.0,8.0,46.0 +lb_00084,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cncc(-c3ccccc3)c2)n1,C35H35N7O,569.7,5.1,86.3,2.0,7.0,8.0,43.0 +lb_00085,C.C.Cc1ccc(NC(=O)c2ccc(CN3CCN(CCF)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C32H40FN7O,557.7,,86.3,2.0,8.0,9.0,41.0 +lb_00086,CC(=O)N1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)CC1,C30H31N7O2,521.6,3.0,103.0,2.0,7.0,7.0,39.0 +lb_00087,Cc1ccc(NC(=O)c2cccc(CN3CCN(C)CC3)c2)cc1Nc1nccc(-c2cccnc2)n1,C29H31N7O,493.6,3.5,86.3,2.0,7.0,7.0,37.0 +lb_00088,C.Cc1ccc(NC(=O)c2ccc(CN3CCN(Cc4ccc(I)cc4)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C36H38IN7O,711.6,,86.3,2.0,7.0,9.0,45.0 +lb_00089,C.Cc1ccc(NC(=O)c2ccc(CN3CCN(Cc4ccc(F)cc4)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C36H38FN7O,603.7,,86.3,2.0,8.0,9.0,45.0 +lb_00090,Cc1ccc(NC(=O)c2ccc(CN3CCS(=O)(=O)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C28H28N6O3S,528.6,2.9,126.0,2.0,8.0,7.0,38.0 +lb_00091,CC.Cc1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C31H36N6O,508.7,,83.0,2.0,6.0,7.0,38.0 +lb_00092,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1.Cl.Cl.Cl.NC(N)c1ccccc1,C36H44Cl3N9O,725.1,,138.0,7.0,9.0,8.0,49.0 +lb_00093,CC.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2ccccc2)n1,C32H38N6O,522.7,,73.4,2.0,6.0,7.0,39.0 +lb_00094,Cc1ccc(NC(=O)c2ccc(CN3CCN(CCP(=O)(O)O)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C30H34N7O4P,587.6,-0.6,144.0,4.0,10.0,10.0,42.0 +lb_00095,Cc1ccc(NC(=O)c2ccc(CN3CCN(C=O)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C29H29N7O2,507.6,3.0,103.0,2.0,7.0,7.0,38.0 +lb_00096,Cc1ccc(NC(=O)c2ccc(CN3CCN(C(C)C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C31H35N7O,521.7,4.3,86.3,2.0,7.0,8.0,39.0 +lb_00097,Cc1ccc(Nc2nccc(-c3cccnc3)n2)cc1NC(=O)c1ccc(CN2CCCN(C)CC2)cc1,C30H33N7O,507.6,3.9,86.3,2.0,7.0,7.0,38.0 +lb_00098,Cc1ccc(NC(=O)c2ccc(CN3CCN(CC(C)C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C32H37N7O,535.7,4.8,86.3,2.0,7.0,9.0,40.0 +lb_00099,Cc1ccc(NC(=O)c2ccc(CN3CCN(C(C)(C)C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C32H37N7O,535.7,4.5,86.3,2.0,7.0,8.0,40.0 +lb_00100,Cc1ccc(NC(=O)c2ccc(CN3CCN(CC=O)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C30H31N7O2,521.6,3.0,103.0,2.0,8.0,9.0,39.0 +lb_00101,[2H]c1nc(Nc2cc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)ccc2C)nc(-c2cccnc2)c1[2H],C29H31N7O,495.6,3.5,86.3,2.0,7.0,7.0,37.0 +lb_00102,[2H]c1c([2H])c(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)c([2H])c([2H])c1CN1CCN(C)CC1,C29H31N7O,497.6,3.5,86.3,2.0,7.0,7.0,37.0 +lb_00103,CCN1CCCN(Cc2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)CC1,C31H35N7O,521.7,4.2,86.3,2.0,7.0,8.0,39.0 +lb_00104,Cc1ccc(NC(=O)c2ccc(CN3CCN(N=O)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C28H28N8O2,508.6,3.4,116.0,2.0,9.0,7.0,38.0 +lb_00105,Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C28H29N7O,479.6,3.0,95.1,3.0,7.0,7.0,36.0 +lb_00106,CN1CCN(Cc2ccc(C(=O)Nc3ccc(F)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)CC1,C28H28FN7O,497.6,3.3,86.3,2.0,8.0,7.0,37.0 +lb_00107,[2H]C1([2H])N(C)C([2H])([2H])C([2H])([2H])N(Cc2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)C1([2H])[2H],C29H31N7O,501.7,3.5,86.3,2.0,7.0,7.0,37.0 +lb_00108,Cc1ccc(NC(=O)c2ccc(CN3CC[NH2+]CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C28H30N7O+,480.6,3.0,99.7,3.0,6.0,7.0,36.0 +lb_00109,Cc1cncc(-c2ccnc(Nc3cc(NC(=O)c4ccc(CN5CCN(C)CC5)cc4)ccc3C)n2)c1,C30H33N7O,507.6,3.9,86.3,2.0,7.0,7.0,38.0 +lb_00110,Cc1ccc(NC(=O)c2ccc(CN3CCOCC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C28H28N6O2,480.6,3.3,92.3,2.0,7.0,7.0,36.0 +lb_00111,CCCCCCCCCCCC(=O)O.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C41H55N7O3,693.9,,124.0,3.0,9.0,17.0,51.0 +lb_00112,CCCCCCCCCC(=O)O.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C39H51N7O3,665.9,,124.0,3.0,9.0,15.0,49.0 +lb_00113,Cc1ccc(-c2ccnc(Nc3cc(NC(=O)c4ccc(CN5CCN(C)CC5)cc4)ccc3C)n2)cn1,C30H33N7O,507.6,3.9,86.3,2.0,7.0,7.0,38.0 +lb_00114,CCC.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2ccccc2)n1,C33H40N6O,536.7,,73.4,2.0,6.0,7.0,40.0 +lb_00115,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2ccncc2)n1,C29H31N7O,493.6,3.5,86.3,2.0,7.0,7.0,37.0 +lb_00116,Cc1ccc(NC(=O)c2ccc(CN3CCN(CCSF)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C30H32FN7OS,557.7,4.3,112.0,2.0,9.0,9.0,40.0 +lb_00117,Cc1ccc(NC(=O)c2ccc(CN3CCN(CCCCN)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C32H38N8O,550.7,3.3,112.0,3.0,8.0,11.0,41.0 +lb_00118,Cc1ccc(NC(=O)c2ccc(CN3CCN(CCS(=O)(=O)O)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C30H33N7O4S,587.7,0.1,149.0,3.0,10.0,10.0,42.0 +lb_00119,CCC(=O)N1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)CC1,C31H33N7O2,535.6,3.4,103.0,2.0,7.0,8.0,40.0 +lb_00120,Cc1ccc(NC(=O)c2ccc(CN3CCN(C(=O)C(C)C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C32H35N7O2,549.7,4.0,103.0,2.0,7.0,8.0,41.0 +lb_00121,Cc1ccc(NC(=O)c2ccc(CN3CCN(S(C)(=O)=O)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C29H31N7O3S,557.7,2.8,129.0,2.0,9.0,8.0,40.0 +lb_00122,Cc1ccc(NC(=O)c2ccc(CN3CCN(CC#N)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C30H30N8O,518.6,3.3,110.0,2.0,8.0,8.0,39.0 +lb_00123,Cc1ccc(NC(=O)c2ccc(CN3CCN(C#N)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C29H28N8O,504.6,3.8,110.0,2.0,8.0,7.0,38.0 +lb_00124,Cc1ccc(NC(=O)c2ccc(CN3CCN(CS(=O)(=O)O)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C29H31N7O4S,573.7,0.2,149.0,3.0,10.0,9.0,41.0 +lb_00125,Cc1ccc(NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C29H32N7O+,494.6,3.5,87.5,3.0,6.0,7.0,37.0 +lb_00126,Cc1cc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)ccc1CN1CCN(C)CC1,C30H33N7O,507.6,3.9,86.3,2.0,7.0,7.0,38.0 +lb_00127,CC.Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C30H35N7O,509.6,,95.1,3.0,7.0,7.0,38.0 +lb_00128,Cc1ccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C30H32N6O,492.6,5.0,83.0,2.0,6.0,7.0,37.0 +lb_00129,Cc1ccc(NC(=O)c2ccc(CN3CC[N+](C)(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C30H34N7O+,508.6,3.5,83.0,2.0,6.0,7.0,38.0 +lb_00130,Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1Nc1nccc(-c2cccnc2)n1.Cl.Cl.Cl.Cl,C28H33Cl4N7O,625.4,,95.1,7.0,7.0,7.0,40.0 +lb_00131,Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1Nc1nccc(-c2cccnc2)n1.Cl.Cl.Cl,C28H32Cl3N7O,589.0,,95.1,6.0,7.0,7.0,39.0 +lb_00132,Cl.[2H]C1([2H])N(C)C([2H])([2H])C([2H])([2H])N(Cc2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)C1([2H])[2H],C29H32ClN7O,538.1,,86.3,3.0,7.0,7.0,38.0 +lb_00133,Cc1cc(-c2cccnc2)nc(Nc2cc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)ccc2C)n1,C30H33N7O,507.6,3.9,86.3,2.0,7.0,7.0,38.0 +lb_00134,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1ncnc(-c2cccnc2)n1,C28H30N8O,494.6,3.3,99.2,2.0,8.0,7.0,37.0 +lb_00135,Cc1ccc(NC(=O)Cc2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C30H33N7O,507.6,3.5,86.3,2.0,7.0,8.0,38.0 +lb_00136,CC.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2ccncc2)n1,C31H37N7O,523.7,,86.3,2.0,7.0,7.0,39.0 +lb_00137,Cc1cccc(-c2cncc(-c3ccnc(Nc4cc(NC(=O)c5ccc(CN6CCN(C)CC6)cc5)ccc4C)n3)c2)c1,C36H37N7O,583.7,5.5,86.3,2.0,7.0,8.0,44.0 +lb_00138,CNCCCCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)CC1,C33H40N8O,564.7,3.8,98.3,3.0,8.0,12.0,42.0 +lb_00139,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cncc(-c3ncccc3C)c2)n1,C35H36N8O,584.7,4.5,99.2,2.0,8.0,8.0,44.0 +lb_00140,Cc1ccc(NC(=O)c2ccc(CN3CCN(CCC(C)N)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C32H38N8O,550.7,3.4,112.0,3.0,8.0,10.0,41.0 +lb_00141,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)C(=O)C3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C29H29N7O2,507.6,3.0,103.0,2.0,7.0,7.0,38.0 +lb_00142,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cncc(-c3ccccn3)c2)n1,C34H34N8O,570.7,4.1,99.2,2.0,8.0,8.0,43.0 +lb_00143,Cc1cccc(-c2cncc(-c3ccnc(Nc4cc(NC(=O)c5ccc(CN6CCN(C)CC6)cc5)ccc4C)n3)c2)n1,C35H36N8O,584.7,4.5,99.2,2.0,8.0,8.0,44.0 +lb_00144,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(Cl)c2)cc1Nc1nccc(-c2cccnc2)n1,C29H30ClN7O,528.0,4.1,86.3,2.0,7.0,7.0,38.0 +lb_00145,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cncc(-c3ccncc3)c2)n1,C34H34N8O,570.7,4.1,99.2,2.0,8.0,8.0,43.0 +lb_00146,Cc1ccnc(-c2cncc(-c3ccnc(Nc4cc(NC(=O)c5ccc(CN6CCN(C)CC6)cc5)ccc4C)n3)c2)c1,C35H36N8O,584.7,4.5,99.2,2.0,8.0,8.0,44.0 +lb_00147,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cncc(Br)c2)n1,C29H30BrN7O,572.5,4.2,86.3,2.0,7.0,7.0,38.0 +lb_00148,CN1CCN(Cc2ccc(C(=O)Nc3ccc(CN)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)CC1,C29H32N8O,508.6,2.6,112.0,3.0,8.0,8.0,38.0 +lb_00149,CCc1cncc(-c2ccnc(Nc3cc(NC(=O)c4ccc(CN5CCN(C)CC5)cc4)ccc3C)n2)c1,C31H35N7O,521.7,4.3,86.3,2.0,7.0,8.0,39.0 +lb_00150,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cncc(N)c2)n1,C29H32N8O,508.6,2.8,112.0,3.0,8.0,7.0,38.0 +lb_00151,Cc1ccc(NC(=O)c2ccc(CN3CC[N+](C)(O)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C29H32N7O2+,510.6,3.0,103.0,3.0,7.0,7.0,38.0 +lb_00152,CN1CCN(Cc2ccc(C(=O)Nc3ccc(Nc4nccc(-c5cccnc5)n4)cc3)cc2)CC1,C28H29N7O,479.6,3.2,86.3,2.0,7.0,7.0,36.0 +lb_00153,C1CCC1.Cc1ccc(-c2ccnc(Nc3cc(NC(=O)c4ccc(CN5CCN(C)CC5)cc4)ccc3C)n2)cn1,C34H41N7O,563.7,,86.3,2.0,7.0,7.0,42.0 +lb_00154,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1ncc(C)c(-c2cccnc2)n1,C30H33N7O,507.6,3.9,86.3,2.0,7.0,7.0,38.0 +lb_00155,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cnccc2C)n1,C30H33N7O,507.6,3.9,86.3,2.0,7.0,7.0,38.0 +lb_00156,CCC.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2ccncc2)n1,C32H39N7O,537.7,,86.3,2.0,7.0,7.0,40.0 +lb_00157,Cc1ccc(-c2ccnc(Nc3cc(NC(=O)c4ccc(CN5CCN(C)CC5)cc4)ccc3C)n2)cc1,C31H34N6O,506.6,5.0,73.4,2.0,6.0,7.0,38.0 +lb_00158,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1ncc(-c2cccnc2)cn1,C29H31N7O,493.6,3.5,86.3,2.0,7.0,7.0,37.0 +lb_00159,CCC(C)N1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)CC1,C32H37N7O,535.7,4.8,86.3,2.0,7.0,9.0,40.0 +lb_00160,CCCC(=O)N1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)CC1,C32H35N7O2,549.7,3.8,103.0,2.0,7.0,9.0,41.0 +lb_00161,CN1CCN(Cc2ccc(C(=O)Nc3cccc(Nc4nccc(-c5cccnc5)n4)c3)cc2)CC1,C28H29N7O,479.6,3.2,86.3,2.0,7.0,7.0,36.0 +lb_00162,Cc1ccc(NC(=O)c2ccc(CN3CC[N+](C)([O-])CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C29H31N7O2,509.6,3.0,101.0,2.0,7.0,7.0,38.0 +lb_00163,Cc1ccc(-c2cncc(-c3ccnc(Nc4cc(NC(=O)c5ccc(CN6CCN(C)CC6)cc5)ccc4C)n3)c2)cc1,C36H37N7O,583.7,5.5,86.3,2.0,7.0,8.0,44.0 +lb_00164,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cncc(-c3ccn(C)n3)c2)n1,C33H35N9O,573.7,3.5,104.0,2.0,8.0,8.0,43.0 +lb_00165,CN1CCN(Cc2ccc(C(=O)Nc3ccc(SF)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)CC1,C28H28FN7OS,529.6,3.8,112.0,2.0,9.0,7.0,38.0 +lb_00166,Cc1c(F)cc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C29H30FN7O,511.6,3.6,86.3,2.0,8.0,7.0,38.0 +lb_00167,Cc1ccc(NC(=O)c2ccc(CNN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C29H32N8O,508.6,3.3,98.3,3.0,8.0,8.0,38.0 +lb_00168,Cc1ccc(CNC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C30H33N7O,507.6,3.5,86.3,2.0,7.0,8.0,38.0 +lb_00169,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1NC(=O)c1nccc(-c2cccnc2)n1,C30H31N7O2,521.6,2.8,103.0,2.0,7.0,7.0,39.0 +lb_00170,Cc1ccc(NC(=O)c2ccc(CN3CCN(CCNC(=O)C(C)(C)C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C35H42N8O2,606.8,4.2,115.0,3.0,8.0,11.0,45.0 +lb_00171,Cc1ccc(NC(=O)c2ccc(CN3CCCN(C(C)C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C32H37N7O,535.7,4.7,86.3,2.0,7.0,8.0,40.0 +lb_00172,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1.Cl.NCCCC[C@H](N)C(=O)O,C35H46ClN9O3,676.2,,176.0,6.0,11.0,12.0,48.0 +lb_00173,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(F)c2)cc1Nc1nccc(-c2cccnc2)n1,C29H30FN7O,511.6,3.6,86.3,2.0,8.0,7.0,38.0 +lb_00174,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(I)c2)cc1Nc1nccc(-c2cccnc2)n1,C29H30IN7O,619.5,4.2,86.3,2.0,7.0,7.0,38.0 +lb_00175,Cc1ccc(-c2cncc(-c3ccnc(Nc4cc(NC(=O)c5ccc(CN6CCN(C)CC6)cc5)ccc4C)n3)c2)nc1,C35H36N8O,584.7,4.5,99.2,2.0,8.0,8.0,44.0 +lb_00176,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cncc(B(O)O)c2)n1,C29H32BN7O3,537.4,,127.0,4.0,9.0,8.0,40.0 +lb_00177,CC.CN1CCN(Cc2ccc(C(=O)Nc3cccc(Nc4nccc(-c5cccnc5)n4)c3)cc2)CC1,C30H35N7O,509.6,,86.3,2.0,7.0,7.0,38.0 +lb_00178,CCCc1cncc(-c2ccnc(Nc3cc(NC(=O)c4ccc(CN5CCN(C)CC5)cc4)ccc3C)n2)c1,C32H37N7O,535.7,4.9,86.3,2.0,7.0,9.0,40.0 +lb_00179,Cc1ccc(NC(=O)c2ccc(CN3CC[N+](C)(C(C)C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C32H38N7O+,536.7,4.3,83.0,2.0,6.0,8.0,40.0 +lb_00180,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cncc(C(C)C)c2)n1,C32H37N7O,535.7,4.6,86.3,2.0,7.0,8.0,40.0 +lb_00181,CN1CCN(Cc2ccc(C(=O)Nc3ccc(CCS)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)CC1,C30H33N7OS,539.7,3.7,87.3,3.0,8.0,9.0,39.0 +lb_00182,Cc1ccc(NC(=O)c2ccc(CN3CC[N+](C)(CCl)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1.[Cl-],C30H33Cl2N7O,578.5,,83.0,2.0,7.0,8.0,40.0 +lb_00183,Cc1ccc(NC(=O)c2ccc(CN3CC[N+](C)(CCl)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C30H33ClN7O+,543.1,4.2,83.0,2.0,6.0,8.0,39.0 +lb_00184,Cc1ccc(NC(=O)c2ccc(CN3CC[N+](C)(O)CC3)cc2)cc1Nc1ccc(C)c(Nc2nccc(-c3cccnc3)n2)c1,C36H39N8O2+,615.7,4.9,115.0,4.0,8.0,9.0,46.0 +lb_00185,CS(=O)(=O)O.Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C29H33N7O4S,575.7,,158.0,4.0,10.0,7.0,41.0 +lb_00186,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(Br)c2)cc1Nc1nccc(-c2cccnc2)n1,C29H30BrN7O,572.5,4.2,86.3,2.0,7.0,7.0,38.0 +lb_00187,CN1CCCN(Cc2ccc(C(=O)Nc3ccc(F)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)CC1,C29H30FN7O,511.6,3.6,86.3,2.0,8.0,7.0,38.0 +lb_00188,CCc1ccncc1-c1ccnc(Nc2cc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)ccc2C)n1,C31H35N7O,521.7,4.3,86.3,2.0,7.0,8.0,39.0 +lb_00189,Cc1ccc(NC(=O)c2ccc(CNN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1.Cl,C29H33ClN8O,545.1,,98.3,4.0,8.0,8.0,39.0 +lb_00190,[2H]C([2H])([2H])c1ccc(NC(=O)c2ccc(C([2H])([2H])N3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C29H31N7O,498.6,3.5,86.3,2.0,7.0,7.0,37.0 +lb_00191,[2H]C([2H])([2H])N1C([2H])([2H])C([2H])([2H])N(Cc2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)C([2H])([2H])C1([2H])[2H],C29H31N7O,504.7,3.5,86.3,2.0,7.0,7.0,37.0 +lb_00192,[2H]C([2H])([2H])N1CCN(Cc2ccc(C(=O)Nc3ccc(Nc4nccc(-c5cccnc5)n4)c(C)c3)cc2)CC1,C29H31N7O,496.6,3.5,86.3,2.0,7.0,7.0,37.0 +lb_00193,Cc1ccc(NC(=O)c2cc(Br)c(CN3CCN(C)CC3)c(Br)c2)cc1Nc1nccc(-c2cccnc2)n1,C29H29Br2N7O,651.4,4.9,86.3,2.0,7.0,7.0,39.0 +lb_00194,Cc1ccc(NC(=O)c2ccc(CC3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C30H32N6O,492.6,4.9,83.0,2.0,6.0,7.0,37.0 +lb_00195,CCCCC(=O)N1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)CC1,C33H37N7O2,563.7,4.3,103.0,2.0,7.0,10.0,42.0 +lb_00196,Cc1ccc(NC(=O)c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C33H37N7O3,579.7,4.4,113.0,2.0,8.0,9.0,43.0 +lb_00197,Cc1ccc(NC(=O)c2ccc(CN3CCN(C(=O)n4ccnc4)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C32H31N9O2,573.6,3.2,121.0,2.0,8.0,7.0,43.0 +lb_00198,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2ccc(CN)cc2)n1,C31H35N7O,521.7,3.4,99.4,3.0,7.0,8.0,39.0 +lb_00199,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1cccc(-c2cccnc2)n1,C30H32N6O,492.6,4.2,73.4,2.0,6.0,7.0,37.0 +lb_00200,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cncc(N3CCCC3)c2)n1,C33H38N8O,562.7,4.1,89.5,2.0,8.0,8.0,42.0 +lb_00201,CC.CC.CN1CCN(Cc2ccc(C(=O)Nc3ccc(CCS)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)CC1,C34H45N7OS,599.8,,87.3,3.0,8.0,9.0,43.0 +lb_00202,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3(O)O)cc2)cc1Nc1nccc(-c2cccnc2)n1,C29H31N7O3,525.6,2.2,127.0,4.0,9.0,7.0,39.0 +lb_00203,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cncc(-c3cnn(C)c3)c2)n1,C33H35N9O,573.7,3.5,104.0,2.0,8.0,8.0,43.0 +lb_00204,Cc1ccc(NC(=O)c2ccc(N3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C28H29N7O,479.6,3.8,86.3,2.0,7.0,6.0,36.0 +lb_00205,Cc1cc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc(Nc2nccc(-c3cccnc3)n2)c1,C29H31N7O,493.6,3.5,86.3,2.0,7.0,7.0,37.0 +lb_00206,Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2ccccc2)n1,C30H32N6O,492.6,4.6,73.4,2.0,6.0,7.0,37.0 +lb_00207,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1NC(=O)Cc1nccc(-c2cccnc2)n1,C31H33N7O2,535.6,2.4,103.0,2.0,7.0,8.0,40.0 +lb_00208,CCc1ccc(-c2ccnc(Nc3cc(NC(=O)c4ccc(CN5CCN(C)CC5)cc4)ccc3C)n2)cn1,C31H35N7O,521.7,4.3,86.3,2.0,7.0,8.0,39.0 +lb_00209,Cc1ccc(NC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C29H32N7O+,494.6,3.5,87.5,3.0,6.0,7.0,37.0 +lb_00210,[2H]C([2H])(c1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1)N1C([2H])([2H])C([2H])([2H])N(C)C([2H])([2H])C1([2H])[2H],C29H31N7O,503.7,3.5,86.3,2.0,7.0,7.0,37.0 +lb_00211,[2H]C1([2H])NC([2H])([2H])C([2H])([2H])N(Cc2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)C1([2H])[2H],C28H29N7O,487.6,3.0,95.1,3.0,7.0,7.0,36.0 +lb_00212,CCCCCCCC/C=C\CCCCCCCC(=O)O.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C47H65N7O3,776.1,,124.0,3.0,9.0,22.0,57.0 +lb_00213,Cc1ccc(NC(=O)c2ccc(CN3CCN(C(=O)CCCC(N)=O)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C33H36N8O3,592.7,2.1,146.0,3.0,8.0,11.0,44.0 +lb_00214,CCCC[Sn](CCCC)(CCCC)c1ccc(CN2CCN(Cc3ccc(C(=O)Nc4ccc(C)c(Nc5nccc(-c6cccnc6)n5)c4)cc3)CC2)cc1,C47H61N7OSn,858.7,,86.3,2.0,7.0,19.0,56.0 +lb_00215,CCCCCC(=O)N1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)CC1,C34H39N7O2,577.7,4.9,103.0,2.0,7.0,11.0,43.0 +lb_00216,CN1CCN(Cc2ccc(C(=O)Nc3cc(Nc4nccc(-c5cccnc5)n4)ccc3F)cc2)CC1,C28H28FN7O,497.6,3.3,86.3,2.0,8.0,7.0,37.0 +lb_00217,[2H]N(C(=O)c1ccc(CN2CCN(C)CC2)cc1)c1ccc(C)c(N([2H])c2nccc(-c3cccnc3)n2)c1,C29H31N7O,495.6,3.5,86.3,2.0,7.0,7.0,37.0 +lb_00218,Cc1cc(NC(=O)c2ccc(CN3CCN(O)CC3)cc2)ccc1Nc1nccc(-c2cccnc2)n1,C28H29N7O2,495.6,3.0,107.0,3.0,8.0,7.0,37.0 +lb_00219,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cncc(C3=NN=C(C(=O)Nc4cccnc4)C3)c2)n1,C38H37N11O2,679.8,3.2,153.0,3.0,11.0,10.0,51.0 +lb_00220,CCCCc1cncc(-c2ccnc(Nc3cc(NC(=O)c4ccc(CN5CCN(C)CC5)cc4)ccc3C)n2)c1,C33H39N7O,549.7,5.4,86.3,2.0,7.0,10.0,41.0 +lb_00221,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2ccccn2)n1,C29H31N7O,493.6,3.6,86.3,2.0,7.0,7.0,37.0 +lb_00222,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1cc(-c2cccnc2)ccn1,C30H32N6O,492.6,4.1,73.4,2.0,6.0,7.0,37.0 +lb_00223,Cc1ccc(CC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C30H32N6O,492.6,4.0,74.3,1.0,7.0,8.0,37.0 +lb_00224,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2ccc[n+]([O-])c2)n1,C29H31N7O2,509.6,2.5,98.9,2.0,7.0,7.0,38.0 +lb_00225,Cc1ccc(NC(=O)c2ccc(CN3CCNC(=O)C3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C28H27N7O2,493.6,2.8,112.0,3.0,7.0,7.0,37.0 +lb_00226,[B][n+]1cccc(-c2ccnc(Nc3cc(NC(=O)c4ccc(CN5CCN(C)CC5)cc4)ccc3C)n2)c1,C29H31BN7O+,504.4,,77.3,2.0,6.0,7.0,38.0 +lb_00227,[2H]C([2H])([2H])N1CCN(Cc2cccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)c2)CC1,C29H31N7O,496.6,3.5,86.3,2.0,7.0,7.0,37.0 +lb_00228,CCCCC(=O)NCCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)CC1,C35H42N8O2,606.8,4.2,115.0,3.0,8.0,13.0,45.0 +lb_00229,CN1CCCN(Cc2ccc(C(=O)Nc3ccc(Nc4nccc(-c5cccnc5)n4)cc3)cc2)CC1,C29H31N7O,493.6,3.5,86.3,2.0,7.0,7.0,37.0 +lb_00230,Cc1ccc(NC(=O)c2ccc(CN3C=CN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C29H29N7O,491.6,4.0,86.3,2.0,7.0,7.0,37.0 +lb_00231,Cc1ccc(NC(=O)c2ccc(CN3CC(C)NC(C)C3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C30H33N7O,507.6,3.9,95.1,3.0,7.0,7.0,38.0 +lb_00232,Cc1ccc(NC(=O)c2ccc(CN3C[C@@H](C)N[C@@H](C)C3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C30H33N7O,507.6,3.9,95.1,3.0,7.0,7.0,38.0 +lb_00233,[2H]C([2H])([2H])c1ccc(NC(=O)c2ccc(CN3C([2H])([2H])C([2H])([2H])N(C)C([2H])([2H])C3([2H])[2H])cc2)cc1Nc1nccc(-c2cccnc2)n1,C29H31N7O,504.7,3.5,86.3,2.0,7.0,7.0,37.0 +lb_00234,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cncc(-n3cccn3)c2)n1,C32H33N9O,559.7,3.5,104.0,2.0,8.0,8.0,42.0 +lb_00235,CN1CCN(Cc2ccc(C(=O)Nc3ccccc3Nc3nccc(-c4cccnc4)n3)cc2)CC1,C28H29N7O,479.6,3.2,86.3,2.0,7.0,7.0,36.0 +lb_00236,Cc1ccc(NC(=O)c2ccccc2CN2CCN(C)CC2)cc1Nc1nccc(-c2cccnc2)n1,C29H31N7O,493.6,3.5,86.3,2.0,7.0,7.0,37.0 +lb_00237,CCC1CN(C)CCN1Cc1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1,C31H35N7O,521.7,4.5,86.3,2.0,7.0,8.0,39.0 +lb_00238,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1,C30H30F3N7O,561.6,4.4,86.3,2.0,10.0,7.0,41.0 +lb_00239,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cncc(-c3sncc3C)c2)n1,C33H34N8OS,590.7,4.6,127.0,2.0,9.0,8.0,43.0 +lb_00240,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(SF)c2)cc1Nc1nccc(-c2cccnc2)n1,C29H30FN7OS,543.7,4.2,112.0,2.0,9.0,7.0,39.0 +lb_00241,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C#N)c2)cc1Nc1nccc(-c2cccnc2)n1,C30H30N8O,518.6,3.2,110.0,2.0,8.0,7.0,39.0 +lb_00242,Cc1ccc(NC(=O)c2ccc(CCl)cc2)cc1Nc1nccc(-c2cccnc2)n1,C24H20ClN5O,429.9,4.3,79.8,2.0,5.0,6.0,31.0 +lb_00243,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)c(Nc2nccc(-c3cccnc3)n2)c1,C29H31N7O,493.6,3.5,86.3,2.0,7.0,7.0,37.0 +lb_00244,Cc1ccc(NC(=O)c2ccc(CN3CCNC(C)C3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C29H31N7O,493.6,3.5,95.1,3.0,7.0,7.0,37.0 +lb_00245,CC[n+]1cccc(-c2ccnc(Nc3cc(NC(=O)c4ccc(CN5CCN(C)CC5)cc4)ccc3C)n2)c1,C31H36N7O+,522.7,3.9,77.3,2.0,6.0,8.0,39.0 +lb_00246,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccc([N+](=O)[O-])c2)n1,C30H31N7O3,537.6,4.4,119.0,2.0,8.0,7.0,40.0 +lb_00247,Cc1ccc(-c2ccnc(Nc3cc(NC(=O)c4ccc(CN5CCN(C)CC5)cc4)ccc3C)n2)cn1.O=C(O)C(F)(F)F,C32H34F3N7O3,621.7,,124.0,3.0,12.0,7.0,45.0 +lb_00248,Cc1c(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cccc1Nc1nccc(-c2cccnc2)n1,C29H31N7O,493.6,3.5,86.3,2.0,7.0,7.0,37.0 +lb_00249,Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2ccncc2)n1,C29H31N7O,493.6,3.5,86.3,2.0,7.0,7.0,37.0 +lb_00250,CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5ccccc5)n4)c3)cc2)CC1,C31H34N6O,506.6,5.0,73.4,2.0,6.0,8.0,38.0 +lb_00251,Cc1ccc(NC(=O)c2ccc(C[N+]3([O-])CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C29H31N7O2,509.6,3.0,101.0,2.0,7.0,7.0,38.0 +lb_00252,[2H]C([2H])([2H])c1ccc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C28H29N7O,482.6,3.0,95.1,3.0,7.0,7.0,36.0 +lb_00253,Cc1ccc(NC(=O)c2ccc(CN3C#CN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C29H27N7O,489.6,4.6,86.3,2.0,7.0,7.0,37.0 +lb_00254,[2H]C([2H])c1ccc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C28H29N7O,481.6,3.0,95.1,3.0,7.0,7.0,36.0 +lb_00255,[2H]C1([2H])N(Cc2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)C([2H])([2H])C([2H])([2H])N(P(=O)(O)O)C1([2H])[2H],C28H30N7O4P,567.6,-0.4,144.0,4.0,10.0,8.0,40.0 +lb_00256,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1NC(Cl)c1nccc(-c2cccnc2)n1,C30H32ClN7O,542.1,3.9,86.3,2.0,7.0,8.0,39.0 +lb_00257,Cc1ccc(N(C)C(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C30H33N7O,507.6,3.7,77.5,1.0,7.0,7.0,38.0 +lb_00258,Cc1ccc(NC(=O)c2ccc(C(N)N3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C29H32N8O,508.6,2.7,112.0,3.0,8.0,7.0,38.0 +lb_00259,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccn[14cH]2)n1,C29H31N7O,495.6,3.5,86.3,2.0,7.0,7.0,37.0 +lb_00260,[B]c1c([B])c(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)c([B])c([B])c1CN1CCN(C)CC1,C29H27B4N7O,532.8,,86.3,2.0,7.0,7.0,41.0 +lb_00261,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cncc(CCCCN)c2)n1,C33H40N8O,564.7,3.6,112.0,3.0,8.0,11.0,42.0 +lb_00262,Cc1ccc(NC(=O)c2ccc(CN3CCC(N=C=S)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C30H29N7OS,535.7,5.6,127.0,2.0,8.0,8.0,39.0 +lb_00263,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c([N+](=O)[O-])c2)cc1Nc1nccc(-c2cccnc2)n1,C29H30N8O3,538.6,3.3,132.0,2.0,9.0,7.0,40.0 +lb_00264,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(=O)N(C)C)c2)cc1Nc1nccc(-c2cccnc2)n1,C32H36N8O2,564.7,3.0,107.0,2.0,8.0,8.0,42.0 +lb_00265,Cc1ccc(NC(=O)c2ccc(CN3CC[NH+](CS(=O)(=O)[O-])CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C29H31N7O4S,573.7,0.1,153.0,3.0,9.0,8.0,41.0 +lb_00266,Cc1ccc(NC(=O)c2ccc(CCl)cc2)cc1Nc1nccc(-c2cccnc2)n1.Cl,C24H21Cl2N5O,466.4,,79.8,3.0,5.0,6.0,32.0 +lb_00267,Cc1ccc(NC(=O)c2ccc(C(F)(F)N3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C29H29F2N7O,529.6,4.3,86.3,2.0,9.0,7.0,39.0 +lb_00268,Cc1ccc(Nc2nccc(-c3cccnc3)n2)cc1NC(=O)c1ccc(CN2CCOCC2)cc1,C28H28N6O2,480.6,3.3,92.3,2.0,7.0,7.0,36.0 +lb_00269,Cc1ccnc(Nc2cc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)ccc2C)n1,C25H30N6O,430.5,3.3,73.4,2.0,6.0,6.0,32.0 +lb_00270,CCc1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1,C25H23N5O,409.5,4.7,79.8,2.0,5.0,6.0,31.0 +lb_00271,Cc1ccc(NC(=O)c2ccc(CN3C(=O)C=CC3=O)cc2)cc1Nc1nccc(-c2cccnc2)n1,C28H22N6O3,490.5,2.9,117.0,2.0,7.0,7.0,37.0 +lb_00272,CC.Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2ccncc2)n1,C31H37N7O,523.7,,86.3,2.0,7.0,7.0,39.0 +lb_00273,Cc1ccc(NC(=O)c2ccc(Cn3ccnc3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C27H23N7O,461.5,3.6,97.6,2.0,6.0,7.0,35.0 +lb_00274,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cnccc2C(C)C)n1,C32H37N7O,535.7,4.6,86.3,2.0,7.0,8.0,40.0 +lb_00275,[2H]c1nc([2H])c(-c2ccnc(Nc3cc(NC(=O)c4ccc(CN5CCN(C)CC5)cc4)ccc3C)n2)c([2H])c1[2H],C29H31N7O,497.6,3.5,86.3,2.0,7.0,7.0,37.0 +lb_00276,Cc1ccc(NC(=O)c2ccc(C(N)N3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1.Cl,C29H33ClN8O,545.1,,112.0,4.0,8.0,7.0,39.0 +lb_00277,CC.Cc1ccc(N(C)C(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C32H39N7O,537.7,,77.5,1.0,7.0,7.0,40.0 +lb_00278,CC(=O)OC[N+]1(C)CCN(Cc2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)CC1,C32H36N7O3+,566.7,3.5,109.0,2.0,8.0,10.0,42.0 +lb_00279,Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1,C30H30F3N7O,561.6,4.4,86.3,2.0,10.0,7.0,41.0 +lb_00280,Cc1ccc(NC(=O)c2ccc(C(F)N3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C29H30FN7O,511.6,4.0,86.3,2.0,8.0,7.0,38.0 +lb_00281,Cc1ccc(NC(=O)c2ccc(C(C)N3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C30H33N7O,507.6,3.9,86.3,2.0,7.0,7.0,38.0 +lb_00282,Cc1cc(NC(=O)c2ccc(CN3CCNCC3)cc2)ccc1Nc1nccc(-c2cccnc2)n1,C28H29N7O,479.6,3.0,95.1,3.0,7.0,7.0,36.0 +lb_00283,Cc1ccc(N(C(=O)c2ccc(CN3CCN(C)CC3)cc2)C(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C42H47N9O2,709.9,4.8,101.0,1.0,10.0,10.0,53.0 +lb_00284,CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cncc(C)c5)n4)c3)cc2)CC1,C31H35N7O,521.7,4.2,86.3,2.0,7.0,8.0,39.0 +lb_00285,Cc1ccc(NC(=O)CN2CCN(C)CC2)cc1Nc1nccc(-c2cccnc2)n1,C23H27N7O,417.5,2.1,86.3,2.0,7.0,6.0,31.0 +lb_00286,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1ncccn1,C24H28N6O,416.5,2.9,73.4,2.0,6.0,6.0,31.0 +lb_00287,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cnccc2C(F)(F)F)n1,C30H30F3N7O,561.6,4.4,86.3,2.0,10.0,7.0,41.0 +lb_00288,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1NC(N)=Nc1nccc(-c2cccnc2)n1,C30H33N9O,535.6,2.4,125.0,3.0,7.0,8.0,40.0 +lb_00289,[2H]C1([2H])N(Cc2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)C([2H])([2H])C([2H])([2H])N(C(=O)C(C)(C)C)C1([2H])[2H],C33H37N7O2,571.7,4.4,103.0,2.0,7.0,8.0,42.0 +lb_00290,Cc1ccc(NC(=O)c2ccc(C3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C29H30N6O,478.6,4.4,83.0,2.0,6.0,6.0,36.0 +lb_00291,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Cc1nccc(-c2cccnc2)n1,C30H32N6O,492.6,3.6,74.3,1.0,6.0,7.0,37.0 +lb_00292,Cc1ccc(NC(=O)c2ccc(CN)cc2)cc1Nc1nccc(-c2cccnc2)n1,C24H22N6O,410.5,2.7,106.0,3.0,6.0,6.0,31.0 +lb_00293,Cc1ccc(NC(=O)c2ccc(CI)cc2)cc1Nc1nccc(-c2cccnc2)n1,C24H20IN5O,521.4,4.9,79.8,2.0,5.0,6.0,31.0 +lb_00294,CC.CC.Cc1ccnc(Nc2cc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)ccc2C)n1,C29H42N6O,490.7,,73.4,2.0,6.0,6.0,36.0 +lb_00295,Cc1ccc(NC(=O)c2ccc(CBr)cc2)cc1Nc1nccc(-c2cccnc2)n1,C24H20BrN5O,474.4,4.4,79.8,2.0,5.0,6.0,31.0 +lb_00296,Cc1ccc(CN2CCN(C)CC2)cc1NC(=O)c1ccc(Nc2nccc(-c3cccnc3)n2)c(F)c1,C29H30FN7O,511.6,3.6,86.3,2.0,8.0,7.0,38.0 +lb_00297,CCC(c1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1)N1CCN(C)CC1,C31H35N7O,521.7,4.4,86.3,2.0,7.0,8.0,39.0 +lb_00298,Cc1ccc(NC(=O)C2=CC=C(CN3CCN(C)CC3)CC2)cc1Nc1nccc(-c2cccnc2)n1,C29H33N7O,495.6,3.0,86.3,2.0,7.0,7.0,37.0 +lb_00299,[2H]c1c([2H])c(C([2H])([2H])[2H])c(Nc2nccc(-c3cccnc3)n2)c([2H])c1NC(=O)c1ccc(CN2CCN(C)CC2)cc1,C29H31N7O,499.6,3.5,86.3,2.0,7.0,7.0,37.0 +lb_00300,[2H]C([2H])([2H])c1ccc(NC(=O)c2ccc(CN3C([2H])([2H])C([2H])([2H])N(C([2H])([2H])[2H])C([2H])([2H])C3([2H])[2H])cc2)cc1Nc1nccc(-c2cccnc2)n1,C29H31N7O,507.7,3.5,86.3,2.0,7.0,7.0,37.0 +lb_00301,[2H]C([2H])([2H])c1ccc(NC(=O)c2ccc(C([2H])([2H])N3CCN(C([2H])([2H])[2H])CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C29H31N7O,501.7,3.5,86.3,2.0,7.0,7.0,37.0 +lb_00302,[2H]C([2H])([2H])N1C([2H])([2H])C([2H])([2H])N(C([2H])([2H])c2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)C([2H])([2H])C1([2H])[2H],C29H31N7O,506.7,3.5,86.3,2.0,7.0,7.0,37.0 +lb_00303,CN1CCCN(Cc2ccc(C(=O)Nc3cc(Nc4nccc(-c5cccnc5)n4)ccc3F)cc2)CC1,C29H30FN7O,511.6,3.6,86.3,2.0,8.0,7.0,38.0 +lb_00304,Cc1ccc([N+](=O)C(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C29H30N7O2+,508.6,3.5,94.3,1.0,8.0,7.0,38.0 +lb_00305,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1N(CCl)c1nccc(-c2cccnc2)n1,C30H32ClN7O,542.1,4.3,77.5,1.0,7.0,8.0,39.0 +lb_00306,CCCN1CCN(c2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)CC1,C30H33N7O,507.6,4.7,86.3,2.0,7.0,8.0,38.0 +lb_00307,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cncc(C3=NN=C(C(=O)Nc4ccccc4)C3)c2)n1,C39H38N10O2,678.8,4.3,140.0,3.0,10.0,10.0,51.0 +lb_00308,CCN1CCN(c2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)CC1,C29H31N7O,493.6,4.2,86.3,2.0,7.0,7.0,37.0 +lb_00309,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2ccc(NC(=O)OC(C)(C)C)cc2)n1,C35H41N7O3,607.7,5.2,112.0,3.0,8.0,10.0,45.0 +lb_00310,Cc1ncc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2ccccc2)n1,C29H31N7O,493.6,3.6,86.3,2.0,7.0,7.0,37.0 +lb_00311,Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1Nc1nccc(-c2ccccc2)n1,C29H30N6O,478.6,4.1,82.2,3.0,6.0,7.0,36.0 +lb_00312,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cnccc2CCCCN)n1,C33H40N8O,564.7,3.6,112.0,3.0,8.0,11.0,42.0 +lb_00313,[2H]C([2H])(c1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1)N1C([2H])([2H])C([2H])([2H])NC([2H])([2H])C1([2H])[2H],C28H29N7O,489.6,3.0,95.1,3.0,7.0,7.0,36.0 +lb_00314,Cc1ccc(N(N)C(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C29H32N8O,508.6,3.0,104.0,2.0,8.0,7.0,38.0 +lb_00315,Cc1ccc(N(S)C(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C29H31N7OS,525.7,4.2,78.5,2.0,8.0,7.0,38.0 +lb_00316,CC.Cc1ccc(NC(=O)c2ccc(C(C)N3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1.[HH].[HH],C32H43N7O,541.7,,86.3,2.0,7.0,7.0,40.0 +lb_00317,Cc1ccc(N(I)C(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C29H30IN7O,619.5,4.4,77.5,1.0,7.0,7.0,38.0 +lb_00318,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccc[n+]2[O-])n1,C29H31N7O2,509.6,2.6,98.9,2.0,7.0,7.0,38.0 +lb_00319,[2H]c1c([2H])c(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)c([2H])c([2H])c1CN1CCNCC1,C28H29N7O,483.6,3.0,95.1,3.0,7.0,7.0,36.0 +lb_00320,Cc1ccc(NC(=O)c2ccc(Cn3c(=O)[nH]n(C)c3=O)cc2)cc1Nc1nccc(-c2cccnc2)n1,C27H24N8O3,508.5,2.8,132.0,3.0,7.0,7.0,38.0 +lb_00321,Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1Nc1nccc(-c2cccnc2)n1,C23H18ClN5O,415.9,4.5,79.8,2.0,5.0,5.0,30.0 +lb_00322,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1N[14c]1nccc(-c2cccnc2)n1,C29H31N7O,495.6,3.5,86.3,2.0,7.0,7.0,37.0 +lb_00323,Cc1ccc(Nc2nccc(-c3cccnc3)n2)cc1NC(=O)c1ccc(CNN2CCN(C)CC2)cc1,C29H32N8O,508.6,3.3,98.3,3.0,8.0,8.0,38.0 +lb_00324,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1N(C)c1nccc(-c2cccnc2)n1,C30H33N7O,507.6,3.7,77.5,1.0,7.0,7.0,38.0 +lb_00325,CN1CCN(Cc2ccc(C=O)cc2)CC1.CNc1ccc(C)c(Nc2nccc(-c3cccnc3)n2)c1,C30H35N7O,509.6,,86.3,2.0,8.0,7.0,38.0 +lb_00326,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1ncc(-c2cccnc2)[nH]1,C28H31N7O,481.6,3.4,89.2,3.0,6.0,7.0,36.0 +lb_00327,Cc1ccc(NC(=O)c2ccc(NC3CCN(C)C3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C28H29N7O,479.6,4.1,95.1,3.0,7.0,7.0,36.0 +lb_00328,Cc1ccc(NC(=O)C2=NN=C(c3cncc(-c4ccnc(Nc5cc(NC(=O)c6ccc(CN7CCN(C)CC7)cc6)ccc5C)n4)c3)C2)cc1,C40H40N10O2,692.8,4.7,140.0,3.0,10.0,10.0,52.0 +lb_00329,Cc1ccc(NC(=O)c2ccc(CCN)cc2)cc1Nc1nccc(-c2cccnc2)n1,C25H24N6O,424.5,3.2,106.0,3.0,6.0,7.0,32.0 +lb_00330,Cc1ccc(NC(=O)c2ccc(CN(C)C)cc2)cc1Nc1nccc(-c2cccnc2)n1,C26H26N6O,438.5,3.7,83.0,2.0,6.0,7.0,33.0 +lb_00331,CCc1ccnc(Nc2cc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)ccc2C)n1,C26H32N6O,444.6,3.8,73.4,2.0,6.0,7.0,33.0 +lb_00332,Cc1ccc(NC(=O)c2ccc(CP(C)(C)=O)cc2)cc1Nc1nccc(-c2cccnc2)n1,C26H26N5O2P,471.5,2.8,96.9,2.0,6.0,7.0,34.0 +lb_00333,Cc1ccc(NC(=O)c2ccc(CNC3CCN(C)C3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C29H31N7O,493.6,3.5,95.1,3.0,7.0,8.0,37.0 +lb_00334,Cc1ccc(NC(=O)c2ccc(CN3CCNCC3C)cc2)cc1Nc1nccc(-c2cccnc2)n1,C29H31N7O,493.6,3.5,95.1,3.0,7.0,7.0,37.0 +lb_00335,Cc1ccc(NC(=O)c2ccc(CN3CCN(O)CC3C)cc2)cc1Nc1nccc(-c2cccnc2)n1,C29H31N7O2,509.6,3.5,107.0,3.0,8.0,7.0,38.0 +lb_00336,Cc1ccc(NC(=O)c2ccc(CN3CCNCC3O)cc2)cc1Nc1nccc(-c2cccnc2)n1,C28H29N7O2,495.6,2.5,115.0,4.0,8.0,7.0,37.0 +lb_00337,Cc1ccc(NC(=O)c2ccc(CN3C(C)C4C3CN4C)cc2)cc1Nc1nccc(-c2cccnc2)n1,C30H31N7O,505.6,3.9,86.3,2.0,7.0,7.0,38.0 +lb_00338,Cc1ccc(NC(=O)c2ccc(CN3C(=O)CNS3(=O)=O)cc2)cc1Nc1nccc(-c2cccnc2)n1,C26H23N7O4S,529.6,2.3,155.0,3.0,9.0,7.0,38.0 +lb_00339,Cc1ccc(NC(=O)c2ccc(CN3CC(=O)NS3(=O)=O)cc2)cc1Nc1nccc(-c2cccnc2)n1,C26H23N7O4S,529.6,2.3,155.0,3.0,9.0,7.0,38.0 +lb_00340,Cc1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1,C24H21N5O,395.5,4.2,79.8,2.0,5.0,5.0,30.0 +lb_00341,Cc1ccc(NC(=O)c2ccc(CN3CCS(=O)(=O)CC3)cc2)cc1Nc1nccc(-c2ccncc2)n1,C28H28N6O3S,528.6,2.9,126.0,2.0,8.0,7.0,38.0 +lb_00342,Cc1ccc(NC(=O)c2ccc(NC(=O)CCl)cc2)cc1Nc1nccc(-c2cccnc2)n1,C25H21ClN6O2,472.9,3.7,109.0,3.0,6.0,7.0,34.0 +lb_00343,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1N(c1nccc(-c2cccnc2)n1)C(C)(C)C,C33H39N7O,549.7,4.6,77.5,1.0,7.0,8.0,41.0 +lb_00344,CCN(C(=O)c1ccc(CN2CCN(C)CC2)cc1)c1ccc(C)c(Nc2nccc(-c3cccnc3)n2)c1,C31H35N7O,521.7,4.1,77.5,1.0,7.0,8.0,39.0 +lb_00345,[2H]C([2H])([2H])c1ccc(NC(=O)c2ccc(C([2H])([2H])N3C([2H])([2H])C([2H])([2H])N(C)C([2H])([2H])C3([2H])[2H])cc2)cc1Nc1nccc(-c2cccnc2)n1,C29H31N7O,506.7,3.5,86.3,2.0,7.0,7.0,37.0 +lb_00346,[2H]C([2H])([2H])c1ccc(NC(=O)c2ccc(CN3C([2H])([2H])C([2H])([2H])NC([2H])([2H])C3([2H])[2H])cc2)cc1Nc1nccc(-c2cccnc2)n1,C28H29N7O,490.6,3.0,95.1,3.0,7.0,7.0,36.0 +lb_00347,Cc1ccc(N(N=O)C(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C29H30N8O2,522.6,3.4,107.0,1.0,9.0,7.0,39.0 +lb_00348,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(Cl)c2)cc1Nc1nccc(-c2cncnc2)n1,C28H29ClN8O,529.0,3.5,99.2,2.0,8.0,7.0,38.0 +lb_00349,CC/C=C\CC=CCC=CC/C=C\C/C=C\CCCC(=O)N1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)CC1,C48H57N7O2,764.0,8.8,103.0,2.0,7.0,20.0,57.0 +lb_00350,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)CC1,C48H57N7O2,764.0,8.8,103.0,2.0,7.0,20.0,57.0 +lb_00351,CCC=CCC=CCC=CCC=CCC=CCCCC(=O)N1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)CC1,C48H57N7O2,764.0,8.8,103.0,2.0,7.0,20.0,57.0 +lb_00352,Cc1cccc(NC(=O)C2=NN=C(c3cncc(-c4ccnc(Nc5cc(NC(=O)c6ccc(CN7CCN(C)CC7)cc6)ccc5C)n4)c3)C2)c1,C40H40N10O2,692.8,4.7,140.0,3.0,10.0,10.0,52.0 +lb_00353,Cc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C28H29N7O,479.6,3.8,86.3,2.0,7.0,6.0,36.0 +lb_00354,Cc1ccc(NC(=O)c2ccc(CNC(=O)CCl)cc2)cc1Nc1nccc(-c2cccnc2)n1,C26H23ClN6O2,487.0,3.6,109.0,3.0,6.0,8.0,35.0 +lb_00355,CCN1CCN(Cc2ccc(C(=O)Nc3cc(F)c(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)CC1,C30H32FN7O,525.6,4.0,86.3,2.0,8.0,8.0,39.0 +lb_00356,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1[N+](=O)c1nccc(-c2cccnc2)n1,C29H30N7O2+,508.6,2.9,94.3,1.0,7.0,7.0,38.0 +lb_00357,Cc1cc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc(Nc2nccc(-c3cccnc3)n2)c1C,C29H31N7O,493.6,3.4,95.1,3.0,7.0,7.0,37.0 +lb_00358,CC.CC.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1N(C)c1nccc(-c2cccnc2)n1,C34H45N7O,567.8,,77.5,1.0,7.0,7.0,42.0 +lb_00359,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1N(N)c1nccc(-c2cccnc2)n1,C29H32N8O,508.6,2.9,104.0,2.0,8.0,7.0,38.0 +lb_00360,CC.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1N(C)c1nccc(-c2cccnc2)n1,C32H39N7O,537.7,,77.5,1.0,7.0,7.0,40.0 +lb_00361,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1N(I)c1nccc(-c2cccnc2)n1,C29H30IN7O,619.5,4.4,77.5,1.0,7.0,7.0,38.0 +lb_00362,CC.CC.CC.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1N(C)c1nccc(-c2cccnc2)n1,C36H51N7O,597.8,,77.5,1.0,7.0,7.0,44.0 +lb_00363,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(C2=CCCN=C2)n1,C29H33N7O,495.6,2.9,85.8,2.0,7.0,7.0,37.0 +lb_00364,Cc1cc(NC(=O)C2=NN=C(c3cncc(-c4ccnc(Nc5cc(NC(=O)c6ccc(CN7CCN(C)CC7)cc6)ccc5C)n4)c3)C2)ccn1,C39H39N11O2,693.8,3.6,153.0,3.0,11.0,10.0,52.0 +lb_00365,CCCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2Br)CC1,C31H34BrN7O,600.6,5.1,86.3,2.0,7.0,9.0,40.0 +lb_00366,CNCCc1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1,C26H26N6O,438.5,3.7,91.8,3.0,6.0,8.0,33.0 +lb_00367,CCNCc1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1,C26H26N6O,438.5,3.6,91.8,3.0,6.0,8.0,33.0 +lb_00368,Cc1ccc(CN2CCOCC2)cc1NC(=O)c1ccc(Nc2nccc(-c3cccnc3)n2)cc1,C28H28N6O2,480.6,3.3,92.3,2.0,7.0,7.0,36.0 +lb_00369,Cc1ccc(NC(=O)c2ccc(CN(C)CCCl)cc2)cc1Nc1nccc(-c2cccnc2)n1,C27H27ClN6O,487.0,4.3,83.0,2.0,6.0,9.0,35.0 +lb_00370,CNC(=O)c1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1,C25H22N6O2,438.5,3.1,109.0,3.0,6.0,6.0,33.0 +lb_00371,Cc1ccc(NC(=O)c2ccc(NC(=O)c3cccnc3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C29H23N7O2,501.5,3.6,122.0,3.0,7.0,7.0,38.0 +lb_00372,CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cncc(B(O)O)c5)n4)c3)cc2)CC1,C30H34BN7O3,551.4,,127.0,4.0,9.0,9.0,41.0 +lb_00373,Cc1ccc(N(C(=O)c2ccc(CN3CCN(C)CC3)cc2)C(C)(C)C)cc1Nc1nccc(-c2cccnc2)n1,C33H39N7O,549.7,4.7,77.5,1.0,7.0,8.0,41.0 +lb_00374,CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2Br)CC1,C30H32BrN7O,586.5,4.6,86.3,2.0,7.0,8.0,39.0 +lb_00375,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(Cl)c2)cc1Nc1nccc(-c2cncnc2)n1.Cl,C28H30Cl2N8O,565.5,,99.2,3.0,8.0,7.0,39.0 +lb_00376,[2H]C1([2H])N(Cc2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)C([2H])([2H])C([2H])([2H])N(C(=O)C(N)C(C)C)C1([2H])[2H],C33H38N8O2,586.8,3.4,129.0,3.0,8.0,9.0,43.0 +lb_00377,Cc1ccc(NC(=O)c2ccc(CC3CCCCC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C30H31N5O,477.6,6.9,79.8,2.0,5.0,7.0,36.0 +lb_00378,Cc1ccc(NC(=O)c2ccc(CN(CCCl)CCCl)cc2)cc1Nc1nccc(-c2cccnc2)n1,C28H28Cl2N6O,535.5,4.9,83.0,2.0,6.0,11.0,37.0 +lb_00379,Cc1ccc(NC(=O)CCCCN2CCN(C)CC2)cc1Nc1nccc(-c2cccnc2)n1,C26H33N7O,459.6,2.7,86.3,2.0,7.0,9.0,34.0 +lb_00380,Cc1ccc(NC(=O)c2ccccc2)cc1Nc1nccc(-c2cccnc2)n1,C23H19N5O,381.4,3.9,79.8,2.0,5.0,5.0,29.0 +lb_00381,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cncc(C3=NN=C(C(=O)N4CCCC4)C3)c2)n1,C37H40N10O2,656.8,3.4,131.0,2.0,10.0,9.0,49.0 +lb_00382,CCN1CCN(C(F)(F)c2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)CC1,C30H31F2N7O,543.6,4.6,86.3,2.0,9.0,8.0,40.0 +lb_00383,CN1CCN(Cc2ccc(C(=O)Nc3ccc(F)c(Nc4nccc(-c5cccnc5)n4)c3)cc2F)CC1,C28H27F2N7O,515.6,3.4,86.3,2.0,9.0,7.0,38.0 +lb_00384,CC(=O)N(c1nccc(-c2cccnc2)n1)c1cc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)ccc1C,C31H33N7O2,535.6,2.9,94.6,1.0,7.0,7.0,40.0 +lb_00385,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1N(C(=O)c1ccc(CN2CCN(C)CC2)cc1)c1nccc(-c2cccnc2)n1,C42H47N9O2,709.9,4.2,101.0,1.0,9.0,10.0,53.0 +lb_00386,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(C2=CN=CI=C2)n1,C28H30IN7O,607.5,3.6,85.8,2.0,7.0,7.0,37.0 +lb_00387,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(C2=CN(C)CC=C2)n1,C30H35N7O,509.6,3.5,76.6,2.0,7.0,7.0,38.0 +lb_00388,Cc1ccc(NC(=O)c2ccc(CNN3CC[NH2+]CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C28H31N8O+,495.6,2.8,112.0,4.0,7.0,8.0,37.0 +lb_00389,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(C2=CN=CCC2)n1,C29H33N7O,495.6,2.4,85.8,2.0,7.0,7.0,37.0 +lb_00390,Cc1ccc(NC(=O)c2ccc(N3CCN(CC(C)C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C31H35N7O,521.7,5.1,86.3,2.0,7.0,8.0,39.0 +lb_00391,Cc1ccc(NC(=O)c2ccc(N3CCN(CC(C)(C)C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C32H37N7O,535.7,5.5,86.3,2.0,7.0,8.0,40.0 +lb_00392,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(C2=CC=CI=N2)n1,C28H30IN7O,607.5,3.7,85.8,2.0,7.0,7.0,37.0 +lb_00393,Cc1ccc(NC(=O)c2ccc(CNN3CCNCC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C28H30N8O,494.6,2.8,107.0,4.0,8.0,8.0,37.0 +lb_00394,CN1CCN(Cc2cccc(NC(=O)c3ccc(Nc4nccc(-c5cccnc5)n4)c(F)c3)c2)CC1,C28H28FN7O,497.6,3.3,86.3,2.0,8.0,7.0,37.0 +lb_00395,Cc1ccc(NC(=O)c2ccc(CN3CCN(CCS(=O)(=O)O)CC3)cc2)cc1Nc1nccc(-c2ccncc2)n1,C30H33N7O4S,587.7,0.1,149.0,3.0,10.0,10.0,42.0 +lb_00396,CCc1cc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cncnc4)n3)c2)ccc1CN1CCN(C)CC1,C30H34N8O,522.6,3.7,99.2,2.0,8.0,8.0,39.0 +lb_00397,Cc1ccc(NC(=O)c2ccc(Cn3sc(=O)[nH]c3=O)cc2)cc1Nc1nccc(-c2cccnc2)n1,C26H21N7O3S,511.6,3.3,155.0,3.0,8.0,7.0,37.0 +lb_00398,Cc1ccc(NC(=O)c2ccc(CN(C)C3CCN(C)C3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C30H33N7O,507.6,3.9,86.3,2.0,7.0,8.0,38.0 +lb_00399,Cc1ccc(NC(=O)c2ccc(CCN(C)C)cc2)cc1Nc1nccc(-c2cccnc2)n1,C27H28N6O,452.6,4.2,83.0,2.0,6.0,8.0,34.0 +lb_00400,CCN(CC)Cc1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1,C28H30N6O,466.6,4.4,83.0,2.0,6.0,9.0,35.0 +lb_00401,Cc1ccc(NC(=O)c2ccc(CNC(=O)c3cccnc3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C30H25N7O2,515.6,3.6,122.0,3.0,7.0,8.0,39.0 +lb_00402,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cncc(C3=NN=C(C(=O)Nc4ccccn4)C3)c2)n1,C38H37N11O2,679.8,3.6,153.0,3.0,11.0,10.0,51.0 +lb_00403,Cc1ccc(NC(=O)c2ccc(CN3CCN(Cc4ccc(N5CCC(=O)NC5=O)cc4F)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C39H38FN9O3,699.8,3.8,136.0,3.0,10.0,10.0,52.0 +lb_00404,Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1Nc1nccc(-c2cncc(-c3ccccn3)c2)n1,C33H32N8O,556.7,3.6,108.0,3.0,8.0,8.0,42.0 +lb_00405,Cc1ccc(NC(=O)c2ccc(C(N)=O)cc2)cc1Nc1nccc(-c2cccnc2)n1,C24H20N6O2,424.5,2.7,123.0,3.0,6.0,6.0,32.0 +lb_00406,CCCN(C(=O)c1ccc(CN2CCN(C)CC2)cc1)c1ccc(C)c(Nc2nccc(-c3cccnc3)n2)c1,C32H37N7O,535.7,4.6,77.5,1.0,7.0,9.0,40.0 +lb_00407,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2ccc[n+]([O-])[14cH]2)n1,C29H31N7O2,511.6,2.5,98.9,2.0,7.0,7.0,38.0 +lb_00408,[B]C1([B])N(Cc2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)C([B])([B])C([B])(O)N(C)C1([B])[B],C29H24B7N7O2,578.2,,107.0,3.0,8.0,7.0,45.0 +lb_00409,Cc1ccc(N=[N+]=NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C29H30N9O+,520.6,,100.0,1.0,8.0,7.0,39.0 +lb_00410,Cc1ccc(NC(=O)c2ccc(N)cc2)cc1Nc1nccc(-c2cccnc2)n1,C23H20N6O,396.4,3.2,106.0,3.0,6.0,5.0,30.0 +lb_00411,Cc1ccc(NC(=O)c2ccc(F)cc2)cc1Nc1nccc(-c2cccnc2)n1,C23H18FN5O,399.4,4.0,79.8,2.0,6.0,5.0,30.0 +lb_00412,CC(=O)Nc1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1,C25H22N6O2,438.5,3.0,109.0,3.0,6.0,6.0,33.0 +lb_00413,CN1CCN(Cc2ccc(C(=O)Nc3cccc(Nc4nccc(-c5ccncc5)n4)c3)cc2)CC1,C28H29N7O,479.6,3.2,86.3,2.0,7.0,7.0,36.0 +lb_00414,Cc1ccc(NC(=O)CCCCCN2CCN(C)CC2)cc1Nc1nccc(-c2cccnc2)n1,C27H35N7O,473.6,3.1,86.3,2.0,7.0,10.0,35.0 +lb_00415,CCN1CCN(C(F)c2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)CC1,C30H32FN7O,525.6,4.4,86.3,2.0,8.0,8.0,39.0 +lb_00416,C=Cc1ccc(NC(=O)c2ccc(CN3CCN(C=C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C31H31N7O,517.6,4.6,86.3,2.0,7.0,9.0,39.0 +lb_00417,CCCN1CCC(c2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)CC1,C31H34N6O,506.6,5.3,83.0,2.0,6.0,8.0,38.0 +lb_00418,Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1Nc1nccc(-c2cncc([Al])c2)n1,C28H28AlN7O,505.5,,95.1,3.0,7.0,7.0,37.0 +lb_00419,Cc1ccc(NC(=O)c2ccc(CN3C(=O)C=CC3C)cc2)cc1Nc1nccc(-c2cccnc2)n1,C29H26N6O2,490.6,3.7,100.0,2.0,6.0,7.0,37.0 +lb_00420,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1N(N=O)c1nccc(-c2cccnc2)n1,C29H30N8O2,522.6,3.4,107.0,1.0,9.0,7.0,39.0 +lb_00421,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(Br)c2)cc1Nc1nccc(-c2cncnc2)n1,C28H29BrN8O,573.5,3.6,99.2,2.0,8.0,7.0,38.0 +lb_00422,Cc1ccc(NC(=O)c2ccc(CN3CCCCC3)c(Br)c2)cc1Nc1nccc(-c2cccnc2)n1,C29H29BrN6O,557.5,5.2,83.0,2.0,6.0,7.0,37.0 +lb_00423,CCc1cc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cncnc4)n3)c2)ccc1CN1CCN(C)CC1.Cl,C30H35ClN8O,559.1,,99.2,3.0,8.0,8.0,40.0 +lb_00424,Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1Nc1nccc(-c2cncc(-c3ccncc3)c2)n1,C33H32N8O,556.7,3.6,108.0,3.0,8.0,8.0,42.0 +lb_00425,C.Cc1ccc(NC(=O)c2ccccc2)cc1Nc1nccc(-c2cccnc2)n1,C24H23N5O,397.5,,79.8,2.0,5.0,5.0,30.0 +lb_00426,CCC(=O)Nc1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1,C26H24N6O2,452.5,3.5,109.0,3.0,6.0,7.0,34.0 +lb_00427,CCC(=O)NCc1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1,C27H26N6O2,466.5,3.5,109.0,3.0,6.0,8.0,35.0 +lb_00428,CCNCCc1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1,C27H28N6O,452.6,4.1,91.8,3.0,6.0,9.0,34.0 +lb_00429,CCN1CCC(c2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)CC1,C30H32N6O,492.6,4.8,83.0,2.0,6.0,7.0,37.0 +lb_00430,[2H]C1N(C([2H])([2H])c2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)C([2H])([2H])C([2H])([2H])N([2H])C1([2H])[2H],C28H29N7O,489.6,3.0,95.1,3.0,7.0,7.0,36.0 +lb_00431,Cc1ccc(N(C(=O)c2ccc(CN3CCNCC3)cc2)C(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C41H45N9O2,695.9,4.3,110.0,2.0,10.0,10.0,52.0 +lb_00432,C=Cc1ccc(NC(=O)c2ccc(CN3CCN(C(=C)C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C32H33N7O,531.6,5.0,86.3,2.0,7.0,9.0,40.0 +lb_00433,Cc1ccc(NC(=O)c2ccc(CN3C(C)(C)C(=O)NS3(=O)=O)cc2)cc1Nc1nccc(-c2cccnc2)n1,C28H27N7O4S,557.6,2.9,155.0,3.0,9.0,7.0,40.0 +lb_00434,Cc1ccc(NC(=O)c2cccnc2)cc1Nc1nccc(-c2cccnc2)n1,C22H18N6O,382.4,2.8,92.7,2.0,6.0,5.0,29.0 +lb_00435,CN1CCN(Cc2ccc(C(=O)Nc3ccc(Nc4nccc(-c5ccncc5)n4)cc3)cc2)CC1,C28H29N7O,479.6,3.2,86.3,2.0,7.0,7.0,36.0 +lb_00436,Cc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1Nc1nccc(-c2cccnc2)n1,C27H27N5O,437.5,5.5,79.8,2.0,5.0,6.0,33.0 +lb_00437,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cncc(C3=NN=C(C(=O)C4N=CC=N4)C3)c2)n1,C36H35N11O2,653.7,2.4,153.0,2.0,12.0,10.0,49.0 +lb_00438,[B]N1CCN(Cc2ccc(C(=O)Nc3cccc(Nc4nccc(-c5cccnc5)n4)c3)cc2)CC1,C27H26BN7O,475.4,,86.3,2.0,7.0,7.0,36.0 +lb_00439,Cc1ccc(NC(=O)c2ccc(CNCCN(C)C)cc2)cc1Nc1nccc(-c2cccnc2)n1,C28H31N7O,481.6,3.3,95.1,3.0,7.0,10.0,36.0 +lb_00440,Cc1ccc(NC(=O)c2ccc(C[NH+]3CC[NH+](C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C29H33N7O+2,495.6,3.5,88.7,4.0,5.0,7.0,37.0 +lb_00441,C=CCN(CC=C)Cc1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1,C30H30N6O,490.6,5.0,83.0,2.0,6.0,11.0,37.0 +lb_00442,Cc1ccc(CN2CCN(C)CC2)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3cccnc3)n2)cc1,C30H33N7O,507.6,3.9,86.3,2.0,7.0,7.0,38.0 +lb_00443,Cc1ccc(NC(=O)C2CC(CN3CCN(C)CC3)C2)cc1Nc1nccc(-c2cccnc2)n1,C27H33N7O,471.6,2.8,86.3,2.0,7.0,7.0,35.0 +lb_00444,Cc1ccc(NC(=O)[C@@H]2C[C@H]2CN2CCN(C)CC2)cc1Nc1nccc(-c2cccnc2)n1,C26H31N7O,457.6,2.4,86.3,2.0,7.0,7.0,34.0 +lb_00445,Cc1ccc(NC(=O)[C@H]2C[C@@H]2CN2CCN(C)CC2)cc1Nc1nccc(-c2cccnc2)n1,C26H31N7O,457.6,2.4,86.3,2.0,7.0,7.0,34.0 +lb_00446,[2H]C([2H])([2H])c1ccc(NC(=O)c2ccc(C([2H])([2H])N3C([2H])([2H])C([2H])([2H])N(C([2H])([2H])[2H])C([2H])([2H])C3([2H])[2H])cc2)cc1Nc1nccc(-c2cccnc2)n1,C29H31N7O,509.7,3.5,86.3,2.0,7.0,7.0,37.0 +lb_00447,Cc1ccc(NC(=O)c2ccc(N3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1,C29H28F3N7O,547.6,4.7,86.3,2.0,10.0,6.0,40.0 +lb_00448,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(CF)c2)cc1Nc1nccc(-c2cncnc2)n1,C29H31FN8O,526.6,3.0,99.2,2.0,9.0,8.0,39.0 +lb_00449,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(Br)c2)cc1Nc1nccc(-c2cncnc2)n1.Cl,C28H30BrClN8O,609.9,,99.2,3.0,8.0,7.0,39.0 +lb_00450,CCCNCC(c1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1)N1CCN(C)CC1,C33H40N8O,564.7,4.0,98.3,3.0,8.0,11.0,42.0 +lb_00451,Cc1ccc(NC(=O)c2ccc(CN(CCN3CCCC3)C(=O)c3cccnc3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C36H36N8O2,612.7,4.3,116.0,2.0,8.0,11.0,46.0 +lb_00452,Cc1ccc(NC(=O)c2ccc(CN3CCN(Cc4ccc(C5CCC(=O)NC5=O)c(F)c4)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C40H39FN8O3,698.8,4.2,132.0,3.0,10.0,10.0,52.0 +lb_00453,O=C(Nc1cccc(Nc2nccc(-c3cccnc3)n2)c1)c1ccc(CN2CCCCC2)cc1,C28H28N6O,464.6,4.2,83.0,2.0,6.0,7.0,35.0 +lb_00454,CCNC.CCNCc1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1,C29H35N7O,497.6,,104.0,4.0,7.0,9.0,37.0 +lb_00455,Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1Nc1ncc(-c2cccnc2)cn1,C28H29N7O,479.6,3.0,95.1,3.0,7.0,7.0,36.0 +lb_00456,CCN(CC)CCc1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1,C29H32N6O,480.6,4.9,83.0,2.0,6.0,10.0,36.0 +lb_00457,Cc1ccc(NC(=O)c2ccc(CC(C)N(C)C)cc2)cc1Nc1nccc(-c2cccnc2)n1,C28H30N6O,466.6,4.6,83.0,2.0,6.0,8.0,35.0 +lb_00458,Cc1ccc(NC(=O)c2ccc(N3CCNCC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C27H27N7O,465.5,3.3,95.1,3.0,7.0,6.0,35.0 +lb_00459,Cc1ccc(NC(=O)c2ccc(C3CCCN(C)C3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C29H30N6O,478.6,4.4,83.0,2.0,6.0,6.0,36.0 +lb_00460,Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1Nc1nccc(-c2cccnc2)n1,C28H29N7O3S,543.6,2.8,129.0,2.0,9.0,7.0,39.0 +lb_00461,CCCCN(C(=O)c1ccc(CN2CCN(C)CC2)cc1)c1ccc(C)c(Nc2nccc(-c3cccnc3)n2)c1,C33H39N7O,549.7,5.0,77.5,1.0,7.0,10.0,41.0 +lb_00462,[2H]C([2H])(c1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1)N1C([2H])([2H])C([2H])([2H])[N+]([O-])(C([2H])([2H])[2H])C([2H])([2H])C1([2H])[2H],C29H31N7O2,522.7,3.0,101.0,2.0,7.0,7.0,38.0 +lb_00463,CCC(C)OC(=O)OC[N+]1(C)CCN(Cc2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)CC1,C35H42N7O4+,624.8,5.3,119.0,2.0,9.0,13.0,46.0 +lb_00464,Cc1ccc(NC(=O)c2ccc(C(=O)N(C)C)cc2)cc1Nc1nccc(-c2cccnc2)n1,C26H24N6O2,452.5,3.3,100.0,2.0,6.0,6.0,34.0 +lb_00465,Cc1ccc(NC(=O)c2ccc(N(C)C)cc2)cc1Nc1nccc(-c2cccnc2)n1,C25H24N6O,424.5,4.0,83.0,2.0,6.0,6.0,32.0 +lb_00466,Cc1ccc(NC(=O)c2ccc(P(C)(C)=O)cc2)cc1Nc1nccc(-c2cccnc2)n1,C25H24N5O2P,457.5,2.9,96.9,2.0,6.0,6.0,33.0 +lb_00467,Cc1ccc(NC(=O)c2ccc(P(=O)(O)O)cc2)cc1Nc1nccc(-c2cccnc2)n1,C23H20N5O4P,461.4,1.9,137.0,4.0,8.0,6.0,33.0 +lb_00468,Cc1ccc(NC(=O)c2ccc(C=O)cc2)cc1Nc1nccc(-c2cccnc2)n1,C24H19N5O2,409.4,3.3,96.9,2.0,6.0,6.0,31.0 +lb_00469,Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1Nc1nccc(-c2cccnc2)n1,C24H18F3N5O,449.4,4.8,79.8,2.0,8.0,5.0,33.0 +lb_00470,Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1Nc1nccc(-c2cccnc2)n1,C28H28N6O,464.6,3.8,74.3,1.0,6.0,6.0,35.0 +lb_00471,Cc1ccc(NC(=O)c2ccc(CN(C)CCCN(C)C)cc2)cc1Nc1nccc(-c2cccnc2)n1,C30H35N7O,509.6,4.1,86.3,2.0,7.0,11.0,38.0 +lb_00472,Cc1ccc(Nc2nccc(-c3cccnc3)n2)cc1NC(=O)c1ccc(C(N)N2CCN(C)CC2)cc1,C29H32N8O,508.6,2.7,112.0,3.0,8.0,7.0,38.0 +lb_00473,Cc1ccc(NC(=O)C2CCC(CN3CCN(C)CC3)CC2)cc1Nc1nccc(-c2cccnc2)n1,C29H37N7O,499.6,3.5,86.3,2.0,7.0,7.0,37.0 +lb_00474,Cc1ccc(CC(=O)c2ccc(CN3CCN(CCF)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C31H33FN6O,524.6,4.3,74.3,1.0,8.0,10.0,39.0 +lb_00475,Cc1ccc(CC(=O)c2ccc(CN3CCN(CC[18F])CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C31H33FN6O,523.6,4.3,74.3,1.0,8.0,10.0,39.0 +lb_00476,Cc1ccc(NC(=O)c2ccc3c(c2)CCC3N2CCN(C)CC2)cc1Nc1nccc(-c2cccnc2)n1,C31H33N7O,519.6,3.9,86.3,2.0,7.0,6.0,39.0 +lb_00477,Cc1ccc(NC(=O)c2ccc3c(c2)CC[C@@H]3N2CCN(C)CC2)cc1Nc1nccc(-c2cccnc2)n1,C31H33N7O,519.6,3.9,86.3,2.0,7.0,6.0,39.0 +lb_00478,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(Br)c2)cc1Nc1nccc(-c2cncc(Br)c2)n1,C29H29Br2N7O,651.4,4.9,86.3,2.0,7.0,7.0,39.0 +lb_00479,CC/C=C\CC=CCC=CC/C=C\C/C=C\CCCC(=O)NCC(=O)N1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)CC1,C50H60N8O3,821.1,8.1,132.0,3.0,8.0,22.0,61.0 +lb_00480,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCC(=O)N1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)CC1,C50H60N8O3,821.1,8.1,132.0,3.0,8.0,22.0,61.0 +lb_00481,CCC=CCC=CCC=CCC=CCC=CCCCC(=O)NCC(=O)N1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)CC1,C50H60N8O3,821.1,8.1,132.0,3.0,8.0,22.0,61.0 +lb_00482,Cc1ccc(NC(=O)c2ccc(NC(=O)C(C)Cl)cc2)cc1Nc1nccc(-c2cccnc2)n1,C26H23ClN6O2,487.0,4.1,109.0,3.0,6.0,7.0,35.0 +lb_00483,C=CC(=O)NCc1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1,C27H24N6O2,464.5,3.6,109.0,3.0,6.0,8.0,35.0 +lb_00484,C=C(C)C(=O)NCc1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1,C28H26N6O2,478.5,3.9,109.0,3.0,6.0,8.0,36.0 +lb_00485,CCCN(CCC)CCc1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1,C31H36N6O,508.7,6.0,83.0,2.0,6.0,12.0,38.0 +lb_00486,Cc1ccc(NC(=O)c2ccc(C[n+]3cc[n+](C)cc3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C29H27N7O+2,489.6,3.6,87.6,2.0,5.0,7.0,37.0 +lb_00487,CN1CCN(Cc2ccc(C(=O)Nc3ccc(F)c(Cc4nccc(-c5cccnc5)n4)c3)cc2)CC1,C29H29FN6O,496.6,3.3,74.3,1.0,7.0,7.0,37.0 +lb_00488,CC(C)=CC(=O)CCc1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1,C30H29N5O2,491.6,5.2,96.9,2.0,6.0,9.0,37.0 +lb_00489,Cc1ccc(NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1Cc1nccc(-c2cccnc2)n1,C36H36N6O,568.7,5.1,74.3,1.0,6.0,9.0,43.0 +lb_00490,[2H]C([2H])([2H])c1ccc(NC(=O)c2ccc(C([2H])([2H])N3CCNCC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C28H29N7O,484.6,3.0,95.1,3.0,7.0,7.0,36.0 +lb_00491,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(C2C=CC=NC2)n1,C29H33N7O,495.6,2.7,85.8,2.0,7.0,7.0,37.0 +lb_00492,Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1Nc1nccc(-c2ccc[nH+]c2)n1,C28H30N7O+,480.6,3.2,96.3,4.0,6.0,7.0,36.0 +lb_00493,CC(=O)CCCN(C(=O)c1ccc(CN2CCN(C)CC2)cc1)c1ccc(C)c(Nc2nccc(-c3cccnc3)n2)c1,C34H39N7O2,577.7,3.7,94.6,1.0,8.0,11.0,43.0 +lb_00494,CCNCC.Cc1ccc(NC(=O)c2ccccc2)cc1Nc1nccc(-c2cccnc2)n1,C27H30N6O,454.6,,91.8,3.0,6.0,7.0,34.0 +lb_00495,Cc1ccc(NC(=O)c2ccc(P(C)(=O)O)cc2)cc1Nc1nccc(-c2cccnc2)n1,C24H22N5O3P,459.4,2.4,117.0,3.0,7.0,6.0,33.0 +lb_00496,Cc1ccc(NC(=O)c2ccc(C(N)(F)F)cc2)cc1Nc1nccc(-c2cccnc2)n1,C24H20F2N6O,446.5,3.5,106.0,3.0,8.0,6.0,33.0 +lb_00497,Cc1ccc(NC(=O)c2ccc(C#N)cc2)cc1Nc1nccc(-c2cccnc2)n1,C24H18N6O,406.4,3.6,104.0,2.0,6.0,5.0,31.0 +lb_00498,Cc1ccc(NC(=O)c2ccc(N(CCCl)CCCl)cc2)cc1Nc1nccc(-c2cccnc2)n1,C27H26Cl2N6O,521.4,5.2,83.0,2.0,6.0,10.0,36.0 +lb_00499,Cc1ccc(NC(=O)CCC(=O)N2CCN(C)CC2)cc1Nc1nccc(-c2cccnc2)n1,C25H29N7O2,459.5,1.4,103.0,2.0,7.0,7.0,34.0 +lb_00500,Cc1ccc(NC(=O)c2ccc(N3C(=O)C(Cl)=C(Cl)C3=O)cc2)cc1Nc1nccc(-c2cccnc2)n1,C27H18Cl2N6O3,545.4,4.7,117.0,2.0,7.0,6.0,38.0 +lb_00501,Cc1ccc(NC(=O)c2ccc(C[N+]3([O-])CC[N+](C)([O-])CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C29H31N7O3,525.6,2.4,116.0,2.0,7.0,7.0,39.0 +lb_00502,CCc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)c(CC)c1Nc1nccc(-c2cccnc2)n1,C32H37N7O,535.7,4.7,86.3,2.0,7.0,9.0,40.0 +lb_00503,CCC1=CC(c2ccnc(Nc3cc(NC(=O)c4ccc(CN5CCN(C)CC5)cc4)ccc3C)n2)=CC=CC1,C33H38N6O,534.7,5.2,73.4,2.0,6.0,8.0,40.0 +lb_00504,CCCN1CCCC(c2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)C1,C31H34N6O,506.6,5.3,83.0,2.0,6.0,8.0,38.0 +lb_00505,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1,C29H29F3N8O,562.6,3.8,99.2,2.0,11.0,7.0,41.0 +lb_00506,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(C2=CNOCC=C2)n1,C29H33N7O2,511.6,3.4,94.7,3.0,8.0,7.0,38.0 +lb_00507,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1,C29H30F2N8O,544.6,3.5,99.2,2.0,10.0,8.0,40.0 +lb_00508,Cc1c(F)cc(NC(=O)c2ccc(CN3CCN(C)CC3)c(Cl)c2)cc1Nc1nccc(-c2cccnc2)n1,C29H29ClFN7O,546.0,4.2,86.3,2.0,8.0,7.0,39.0 +lb_00509,C/C=C/C(=O)NCc1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1,C28H26N6O2,478.5,3.8,109.0,3.0,6.0,8.0,36.0 +lb_00510,[2H]C([2H])([2H])c1ccc(NC(=O)c2ccc(C([2H])([2H])N3C([2H])([2H])C([2H])([2H])NC([2H])([2H])C3([2H])[2H])cc2)cc1Nc1nccc(-c2cccnc2)n1,C28H29N7O,492.7,3.0,95.1,3.0,7.0,7.0,36.0 +lb_00511,O=C(Nc1cccc(Nc2nccc(-c3cccnc3)n2)c1)c1ccc(CN2CCNCC2)cc1,C27H27N7O,465.5,2.7,95.1,3.0,7.0,7.0,35.0 +lb_00512,Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1Nc1cccc(-c2cccnc2)n1,C29H30N6O,478.6,3.7,82.2,3.0,6.0,7.0,36.0 +lb_00513,Cc1ccc(NC(=O)c2ccc(C3CCN(CC(C)(C)C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C33H38N6O,534.7,6.2,83.0,2.0,6.0,8.0,40.0 +lb_00514,CCN1CCN(c2ccc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)CC1,C29H31N7O,493.6,4.2,86.3,2.0,7.0,7.0,37.0 +lb_00515,Cc1ccc(NC(=O)c2ccc(C3CCN(CC(C)C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C32H36N6O,520.7,5.8,83.0,2.0,6.0,8.0,39.0 +lb_00516,Cc1ccc(NC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C30H33N7O,507.6,4.6,86.3,2.0,7.0,7.0,38.0 +lb_00517,Cc1ccc(NC(=O)c2ccc(N3CCN(C(C)(C)C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C31H35N7O,521.7,4.8,86.3,2.0,7.0,7.0,39.0 +lb_00518,CCN1CCCC(c2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)C1,C30H32N6O,492.6,4.8,83.0,2.0,6.0,7.0,37.0 +lb_00519,CCCN(CC)Cc1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1,C29H32N6O,480.6,5.0,83.0,2.0,6.0,10.0,36.0 +lb_00520,Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1Nc1nccc(-c2cccnc2)n1,C27H21N5O,431.5,5.1,79.8,2.0,5.0,5.0,33.0 +lb_00521,CS(=O)(=O)O.Cc1ccc(NC(=O)c2ccc(CCN(C)C)cc2)cc1Nc1nccc(-c2cccnc2)n1,C28H32N6O4S,548.7,,146.0,3.0,9.0,8.0,39.0 +lb_00522,Cc1ncc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cc(F)cc(F)c2)n1,C29H29F2N7O,529.6,3.8,86.3,2.0,9.0,7.0,39.0 +lb_00523,Cc1ccc(NC(=O)c2cc(N3CCN(C)CC3)cc(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1,C29H28F3N7O,547.6,4.7,86.3,2.0,10.0,6.0,40.0 +lb_00524,Cc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1,C29H28F3N7O,547.6,4.7,86.3,2.0,10.0,6.0,40.0 +lb_00525,Cc1ncc(NC(=O)c2ccc(CN3CCN(C)CC3)c(F)c2)cc1Nc1nccc(-c2cccnc2)n1,C28H29FN8O,512.6,2.6,99.2,2.0,9.0,7.0,38.0 +lb_00526,O=C(Nc1cccc(Nc2nccc(-c3cccnc3)n2)c1)c1ccc(CN2CCOCC2)cc1,C27H26N6O2,466.5,3.0,92.3,2.0,7.0,7.0,35.0 +lb_00527,Cc1ccc(NC(=O)c2ccc(N(C)C3CCN(C)C3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C29H31N7O,493.6,4.2,86.3,2.0,7.0,7.0,37.0 +lb_00528,Cc1ccc(NC(=O)c2ccc(N3C(=O)C=CC3=O)cc2)cc1Nc1nccc(-c2cccnc2)n1,C27H20N6O3,476.5,3.0,117.0,2.0,7.0,6.0,36.0 +lb_00529,CC1=C(C)C(=O)N(c2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)C1=O,C29H24N6O3,504.5,3.7,117.0,2.0,7.0,6.0,38.0 +lb_00530,Cc1ccc(N(CCCC(=O)O)C(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C33H37N7O3,579.7,1.3,115.0,2.0,9.0,11.0,43.0 +lb_00531,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1.Cl,C29H30ClF3N8O,599.0,,99.2,3.0,11.0,7.0,42.0 +lb_00532,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1.Cl,C29H31ClF2N8O,581.1,,99.2,3.0,10.0,8.0,41.0 +lb_00533,Cc1ccc(NC(=O)c2ccc3c(c2)CCCC3N2CCN(C)CC2)cc1Nc1nccc(-c2cccnc2)n1,C32H35N7O,533.7,4.3,86.3,2.0,7.0,6.0,40.0 +lb_00534,CN/C=C\C=C(/C)c1ccnc(Nc2cc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)ccc2C)n1,C30H37N7O,511.7,4.6,85.4,3.0,7.0,9.0,38.0 +lb_00535,Cc1ccc(NC(=O)[C@@H]2CC[C@H](CN3CCN(C)CC3)C2)cc1Nc1nccc(-c2cccnc2)n1,C28H35N7O,485.6,3.1,86.3,2.0,7.0,7.0,36.0 +lb_00536,Cc1ccc(NCc2ccc(C(=O)Nc3ccc(N)cc3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C30H27N7O,501.6,4.7,118.0,4.0,7.0,8.0,38.0 +lb_00537,Cc1ccc(NC(=O)c2ccc(N3CCCCC3)nc2)cc1Nc1nccc(-c2cccnc2)n1,C27H27N7O,465.5,4.1,95.9,2.0,7.0,6.0,35.0 +lb_00538,Cc1ccc(NC(=O)c2ccc(C(=O)Nc3ccccc3N)cc2)cc1Nc1nccc(-c2cccnc2)n1,C30H25N7O2,515.6,4.0,135.0,4.0,7.0,7.0,39.0 +lb_00539,C=CC(=O)Nc1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1,C26H22N6O2,450.5,3.6,109.0,3.0,6.0,7.0,34.0 +lb_00540,Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Nc1nccc(-c2cccnc2)n1,C23H18N6O3,426.4,3.7,126.0,2.0,7.0,5.0,32.0 +lb_00541,Cc1cc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)ccn1,C23H20N6O,396.4,3.2,92.7,2.0,6.0,5.0,30.0 +lb_00542,Cc1ncc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccc(C(F)(F)F)c2)n1,C30H30F3N7O,561.6,4.4,86.3,2.0,10.0,7.0,41.0 +lb_00543,Cc1ccc(NC(=O)c2ccc(C(F)(F)N3CCNCC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C28H27F2N7O,515.6,3.8,95.1,3.0,9.0,7.0,38.0 +lb_00544,Cc1ccc(NCc2ccc(C(=O)Nc3cccc(N)c3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C30H27N7O,501.6,4.7,118.0,4.0,7.0,8.0,38.0 +lb_00545,C=CS(=O)(=O)NCc1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1,C26H24N6O3S,500.6,3.3,134.0,3.0,8.0,9.0,36.0 +lb_00546,CN1CCN(Cc2ccc(C(=O)Nc3ccc(N(C)c4nccc(-c5cccnc5)n4)cc3)cc2)CC1,C29H31N7O,493.6,3.3,77.5,1.0,7.0,7.0,37.0 +lb_00547,Cc1ccc(NC(=O)c2ccnc(N3CCCC3)c2)cc1Nc1nccc(-c2cccnc2)n1,C26H25N7O,451.5,3.7,95.9,2.0,7.0,6.0,34.0 +lb_00548,Cc1ccc(NC(=O)c2ccc(N)c(N)c2)cc1Nc1nccc(-c2cccnc2)n1,C23H21N7O,411.5,2.5,132.0,4.0,7.0,5.0,31.0 +lb_00549,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)C(=O)C3)cc2)cc1Nc1nccc(-c2ccc[n+]([O-])c2)n1,C29H29N7O3,523.6,2.0,116.0,2.0,7.0,7.0,39.0 +lb_00550,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(Br)c2)cc1Nc1nccc(-c2cnccn2)n1,C28H29BrN8O,573.5,3.2,99.2,2.0,8.0,7.0,38.0 +lb_00551,CN1CCN(Cc2ccc(C(=O)Nc3cccc(N(C)c4nccc(-c5cccnc5)n4)c3)cc2)CC1,C29H31N7O,493.6,3.3,77.5,1.0,7.0,7.0,37.0 +lb_00552,Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1Nc1nccc(-c2ccccn2)n1,C28H29N7O,479.6,3.1,95.1,3.0,7.0,7.0,36.0 +lb_00553,Cc1ccc(NC(=O)c2ccc(C(N)F)cc2)cc1Nc1nccc(-c2cccnc2)n1,C24H21FN6O,428.5,3.2,106.0,3.0,7.0,6.0,32.0 +lb_00554,C/C=C/C(=O)Nc1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1,C27H24N6O2,464.5,3.9,109.0,3.0,6.0,7.0,35.0 +lb_00555,Cc1cncc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)c1,C23H20N6O,396.4,3.2,92.7,2.0,6.0,5.0,30.0 +lb_00556,Cc1ccc(N(CCCC(=O)NS)C(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C33H38N8O2S,610.8,3.8,108.0,3.0,9.0,11.0,44.0 +lb_00557,Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1,C29H29F3N8O,562.6,3.8,99.2,2.0,11.0,7.0,41.0 +lb_00558,Cc1ccc(NC(=O)c2ccc(C(F)N3CCNCC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C28H28FN7O,497.6,3.5,95.1,3.0,8.0,7.0,37.0 +lb_00559,Cc1ccc(NC(=O)c2ccc(C(C)N3CCNCC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C29H31N7O,493.6,3.5,95.1,3.0,7.0,7.0,37.0 +lb_00560,Cc1ccc(NC(=O)c2ccccc2CN2CCNCC2)cc1Nc1nccc(-c2cccnc2)n1,C28H29N7O,479.6,3.0,95.1,3.0,7.0,7.0,36.0 +lb_00561,Cc1ccc(NC(=O)c2ccc(C3CCN(C(C)C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C31H34N6O,506.6,5.2,83.0,2.0,6.0,7.0,38.0 +lb_00562,Cc1ccc(NC(=O)c2ccc(C3CCN(C(C)(C)C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C32H36N6O,520.7,5.4,83.0,2.0,6.0,7.0,39.0 +lb_00563,CCOP(=O)(OCC)c1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1,C27H28N5O4P,517.5,3.7,115.0,2.0,8.0,10.0,37.0 +lb_00564,Cc1ccc(NC(=O)c2ccnc(N3CCCCCC3)c2)cc1Nc1nccc(-c2cccnc2)n1,C28H29N7O,479.6,4.5,95.9,2.0,7.0,6.0,36.0 +lb_00565,Cc1ccc(NC(=O)c2ccnc(N3CCCCC3)c2)cc1Nc1nccc(-c2cccnc2)n1,C27H27N7O,465.5,4.1,95.9,2.0,7.0,6.0,35.0 +lb_00566,Cc1ccc(NC(=O)c2cncc(N3CCCC3)c2)cc1Nc1nccc(-c2cccnc2)n1,C26H25N7O,451.5,3.4,95.9,2.0,7.0,6.0,34.0 +lb_00567,Cc1ccc(NC(=O)c2ccc3ncccc3c2)cc1Nc1nccc(-c2cccnc2)n1,C26H20N6O,432.5,4.1,92.7,2.0,6.0,5.0,33.0 +lb_00568,Cc1ccc(NC(=O)c2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1,C24H21N5O,395.5,4.2,79.8,2.0,5.0,5.0,30.0 +lb_00569,Cc1ccc(NC(=O)c2ccccn2)cc1Nc1nccc(-c2cccnc2)n1,C22H18N6O,382.4,3.1,92.7,2.0,6.0,5.0,29.0 +lb_00570,CCN1CCN(C2CCc3cc(C(=O)Nc4ccc(C)c(Nc5nccc(-c6cccnc6)n5)c4)ccc32)CC1,C32H35N7O,533.7,4.3,86.3,2.0,7.0,7.0,40.0 +lb_00571,Cc1ccc(NC(=O)c2ccc(CNC3CCNC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C28H29N7O,479.6,3.0,104.0,4.0,7.0,8.0,36.0 +lb_00572,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(C2CCCNC2)n1,C29H37N7O,499.6,3.1,85.4,3.0,7.0,7.0,37.0 +lb_00573,Cc1ccc(NC(=O)c2ccc(NC3CCN(C#N)C3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C28H26N8O,490.6,4.4,119.0,3.0,8.0,7.0,37.0 +lb_00574,CN1CCN(Cc2ccc(C(=O)Nc3cccc(Nc4nccc(-c5cccnc5)n4)c3)cc2F)CC1,C28H28FN7O,497.6,3.3,86.3,2.0,8.0,7.0,37.0 +lb_00575,Cc1ccc(NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)cc1Nc1nccc(-c2ccccn2)n1,C29H32N7O+,494.6,3.6,87.5,3.0,6.0,7.0,37.0 +lb_00576,Cc1ccc(NC(=O)c2ccc(NC3CCNC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C27H27N7O,465.5,3.6,104.0,4.0,7.0,7.0,35.0 +lb_00577,Cc1ccc(NC(=O)c2ccc([N+]#N)cc2)cc1Nc1nccc(-c2cccnc2)n1.F[B-](F)(F)F,C23H18BF4N7O,495.2,,108.0,2.0,11.0,5.0,36.0 +lb_00578,CC(=O)C(=N)C(=O)Nc1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1,C27H23N7O3,493.5,3.4,150.0,4.0,8.0,8.0,37.0 +lb_00579,CCc1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cncnc4)n3)c2)cc1,C24H22N6O,410.5,4.0,92.7,2.0,6.0,6.0,31.0 +lb_00580,Cc1ccc(NC(=O)c2ccc(C3CCCN(CC(C)C)C3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C32H36N6O,520.7,5.8,83.0,2.0,6.0,8.0,39.0 +lb_00581,Cc1ccc(NC(=O)c2ccc(C3CCCN(CC(C)(C)C)C3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C33H38N6O,534.7,6.2,83.0,2.0,6.0,8.0,40.0 +lb_00582,Cc1ccc(NC(=O)c2ccc(C(F)NC3CCN(C)C3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C29H30FN7O,511.6,3.9,95.1,3.0,8.0,8.0,38.0 +lb_00583,Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1.Cl,C29H30ClF3N8O,599.0,,99.2,3.0,11.0,7.0,42.0 +lb_00584,Cc1ccc(C(=O)Nc2cccnc2)cc1Nc1nccc(-c2cccnc2)n1,C22H18N6O,382.4,2.8,92.7,2.0,6.0,5.0,29.0 +lb_00585,Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1Nc1nccc(-c2cccn[14cH]2)n1,C28H29N7O,481.6,3.0,95.1,3.0,7.0,7.0,36.0 +lb_00586,CCN(CCNC)Cc1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1,C29H33N7O,495.6,3.6,95.1,3.0,7.0,11.0,37.0 +lb_00587,Cc1ccc(NC(=O)c2ccc(CN(CCO)C(=O)c3cccnc3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C32H29N7O3,559.6,3.1,133.0,3.0,8.0,10.0,42.0 +lb_00588,Cc1ccc(NC(=O)c2ccc(CN(CCN(C)C)C(=O)CN(C)C)cc2)cc1Nc1nccc(-c2cccnc2)n1,C32H38N8O2,566.7,3.3,107.0,2.0,8.0,12.0,42.0 +lb_00589,Cc1ncc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2ccc(C#N)cc2)n1,C30H30N8O,518.6,3.3,110.0,2.0,8.0,7.0,39.0 +lb_00590,Cc1ccc(NCc2ccc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C31H27N7O3,545.6,5.5,138.0,3.0,8.0,8.0,41.0 +lb_00591,Cc1ccc([N+](=O)[O-])cc1NCc1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1,C31H27N7O3,545.6,5.5,138.0,3.0,8.0,8.0,41.0 +lb_00592,Cc1ccc(NC(=O)c2ccc(CNc3ccc(C)c([N+](=O)[O-])c3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C31H27N7O3,545.6,5.5,138.0,3.0,8.0,8.0,41.0 +lb_00593,Cc1ccc(NC(=O)c2ccc(C3CCNCC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C28H28N6O,464.6,4.0,91.8,3.0,6.0,6.0,35.0 +lb_00594,CCOP(C)(=O)c1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1,C26H26N5O3P,487.5,3.3,106.0,2.0,7.0,8.0,35.0 +lb_00595,CCN1CCN(Cc2ccc(C(=O)Nc3cnc(C)c(Nc4nccc(-c5ccccc5)n4)c3)cc2)CC1,C30H33N7O,507.6,3.9,86.3,2.0,7.0,8.0,38.0 +lb_00596,Cc1ccc(NC(=O)c2cncc(N3CCCCC3)c2)cc1Nc1nccc(-c2cccnc2)n1,C27H27N7O,465.5,3.8,95.9,2.0,7.0,6.0,35.0 +lb_00597,Cc1ccc(NC(=O)CN2CCCCC2)cc1Nc1nccc(-c2cccnc2)n1,C23H26N6O,402.5,3.1,83.0,2.0,6.0,6.0,30.0 +lb_00598,Cc1ccc(NC(=O)c2cc(C3CCN(C)CC3)cc(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1,C30H29F3N6O,546.6,5.3,83.0,2.0,9.0,6.0,40.0 +lb_00599,Cc1ccc(NC(=O)c2ccc(N3C(=O)C=C(Cl)C3=O)cc2)cc1Nc1nccc(-c2cccnc2)n1,C27H19ClN6O3,510.9,3.8,117.0,2.0,7.0,6.0,37.0 +lb_00600,Cc1ccc(NC(=O)c2ccc(CN3CC(=O)N(C)C3=O)cc2)cc1Nc1nccc(-c2ccccc2)n1,C29H26N6O3,506.6,3.8,108.0,2.0,6.0,7.0,38.0 +lb_00601,Cc1ccc(NC(=O)c2ccc(N=NN(C)C)cc2)cc1Nc1nccc(-c2cccnc2)n1,C25H24N8O,452.5,4.5,108.0,2.0,8.0,7.0,34.0 +lb_00602,CCOC(=O)CCCN(C(=O)c1ccc(CN2CCN(C)CC2)cc1)c1ccc(C)c(Nc2nccc(-c3cccnc3)n2)c1,C35H41N7O3,607.7,4.2,104.0,1.0,9.0,13.0,45.0 +lb_00603,[2H]C1N(C([2H])([2H])c2ccc(C(=O)Nc3ccc(C([2H])([2H])[2H])c(Nc4nccc(-c5cccnc5)n4)c3)cc2)C([2H])([2H])C([2H])([2H])N([2H])C1([2H])[2H],C28H29N7O,492.7,3.0,95.1,3.0,7.0,7.0,36.0 +lb_00604,Cc1ccc(NC(=O)c2ccc(C=C3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1,C31H29F3N6O,558.6,5.4,83.0,2.0,9.0,6.0,41.0 +lb_00605,Cc1ccc(NC(=O)c2ccc(C(F)(F)N(C)C3CCN(C)C3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C30H31F2N7O,543.6,4.7,86.3,2.0,9.0,8.0,40.0 +lb_00606,Cc1c(F)cc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1,C30H29F4N7O,579.6,4.5,86.3,2.0,11.0,7.0,42.0 +lb_00607,CN1CCN(Cc2ccc(C(=O)Nc3ccc(Nc4nccc(-c5ccccn5)n4)cc3)cc2)CC1,C28H29N7O,479.6,3.2,86.3,2.0,7.0,7.0,36.0 +lb_00608,Cc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1Nc1nccc(-c2cccnc2)n1,C23H17F2N5O,417.4,4.1,79.8,2.0,7.0,5.0,31.0 +lb_00609,Cc1ccc(NC(=O)c2cncc(F)c2)cc1Nc1nccc(-c2cccnc2)n1,C22H17FN6O,400.4,2.9,92.7,2.0,7.0,5.0,30.0 +lb_00610,CC(=O)Nc1cccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)c1,C25H22N6O2,438.5,3.0,109.0,3.0,6.0,6.0,33.0 +lb_00611,CCC(=O)N(CCN(C)C)Cc1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1,C31H35N7O2,537.7,3.7,103.0,2.0,7.0,11.0,40.0 +lb_00612,Cc1ccc(C(=O)N(CCN(C)C)Cc2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)cc1,C36H37N7O2,599.7,5.2,103.0,2.0,7.0,11.0,45.0 +lb_00613,Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1Nc1nccc(-c2cccn[14cH]2)n1.Cl,C28H30ClN7O,518.0,,95.1,4.0,7.0,7.0,37.0 +lb_00614,C=N/C=C\C=C\c1ccnc(Nc2cc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)ccc2C)n1,C29H33N7O,495.6,5.2,85.8,2.0,7.0,9.0,37.0 +lb_00615,CCCN(CCNC)Cc1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1,C30H35N7O,509.6,4.2,95.1,3.0,7.0,12.0,38.0 +lb_00616,C=C/C(=C\N=C)c1ccnc(Nc2cc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)ccc2C)n1,C29H33N7O,495.6,5.6,85.8,2.0,7.0,9.0,37.0 +lb_00617,Cc1ccc(NC(=O)c2ccc(CN(CCN(C)C)C(=O)c3cccnc3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C34H34N8O2,586.7,3.8,116.0,2.0,8.0,11.0,44.0 +lb_00618,Cc1ccc(NC(=O)c2ccc(CN(CCO)C(=O)CN(C)C)cc2)cc1Nc1nccc(-c2cccnc2)n1,C30H33N7O3,539.6,2.5,124.0,3.0,8.0,11.0,40.0 +lb_00619,Cc1ccc(C(=O)Nc2ccccc2)cc1Nc1nccc(-c2cccnc2)n1,C23H19N5O,381.4,3.9,79.8,2.0,5.0,5.0,29.0 +lb_00620,Cc1ccc(NC(=O)c2ccc(N=NN(C)CO)cc2)cc1Nc1nccc(-c2cccnc2)n1,C25H24N8O2,468.5,4.0,128.0,3.0,9.0,8.0,35.0 +lb_00621,CC1=CC(=O)N(c2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)C1=O,C28H22N6O3,490.5,3.4,117.0,2.0,7.0,6.0,37.0 +lb_00622,CN1CCN(Cc2ccc(C(=O)Nc3cccc(Nc4nccc(-c5ccccn5)n4)c3)cc2)CC1,C28H29N7O,479.6,3.2,86.3,2.0,7.0,7.0,36.0 +lb_00623,Cc1ccc(NC(=O)c2ccc(C(F)(F)F)nc2)cc1Nc1nccc(-c2cccnc2)n1,C23H17F3N6O,450.4,3.7,92.7,2.0,9.0,5.0,33.0 +lb_00624,Cc1ccc(NC(=O)c2ccc(N3CCN(Cc4ccc(C5CCC(=O)NC5=O)c(F)c4)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C39H37FN8O3,684.8,4.5,132.0,3.0,10.0,9.0,51.0 +lb_00625,Cc1ccc(NC(=O)c2ccc(CN(C)C3CCNC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C29H31N7O,493.6,3.5,95.1,3.0,7.0,8.0,37.0 +lb_00626,Cc1ccc(NC(=O)c2ccc(CN3CCC(N=C=S)CC3)cc2)cc1Nc1nccc(-c2cnccn2)n1,C29H28N8OS,536.7,4.6,140.0,2.0,9.0,8.0,39.0 +lb_00627,Cc1ccc(NC(=O)c2ccc(CN(CCN(C)C)C(=O)C3CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C32H35N7O2,549.7,3.7,103.0,2.0,7.0,11.0,41.0 +lb_00628,CN1CCN(NCc2ccc(C(=O)Nc3cc(Nc4nccc(-c5cccnc5)n4)ccc3F)cc2)CC1,C28H29FN8O,512.6,3.0,98.3,3.0,9.0,8.0,38.0 +lb_00629,Cc1ccc(C(=O)Nc2cccc(N3CCCC3)c2)cc1Nc1nccc(-c2cccnc2)n1,C27H26N6O,450.5,4.5,83.0,2.0,6.0,6.0,34.0 +lb_00630,Cc1ccc(NC(=O)c2ccc(N(C)C3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1,C31H32F3N7O,575.6,5.5,86.3,2.0,10.0,7.0,42.0 +lb_00631,Cc1ccc(NC(=O)c2ccc(C(F)N(C)C3CCN(C)C3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C30H32FN7O,525.6,4.4,86.3,2.0,8.0,8.0,39.0 +lb_00632,CCCc1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cncnc4)n3)c2)cc1,C25H24N6O,424.5,4.6,92.7,2.0,6.0,7.0,32.0 +lb_00633,Cc1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1,C25H17F6N5O,517.4,5.6,79.8,2.0,11.0,5.0,37.0 +lb_00634,Cc1ccc(NC(=O)c2ccnc(C(C)(C)C)c2)cc1Nc1nccc(-c2cccnc2)n1,C26H26N6O,438.5,4.5,92.7,2.0,6.0,6.0,33.0 +lb_00635,Cc1ccc(NC(=O)c2ccc(CN(CCN(C)C)C(=O)C(C)C)cc2)cc1Nc1nccc(-c2cccnc2)n1,C32H37N7O2,551.7,4.2,103.0,2.0,7.0,11.0,41.0 +lb_00636,Cc1ccc(NC(=O)c2ccc(CN(CCN(C)C)C(=O)C(C)(C)C)cc2)cc1Nc1nccc(-c2cccnc2)n1,C33H39N7O2,565.7,4.6,103.0,2.0,7.0,11.0,42.0 +lb_00637,CCCC(=O)N(CCN(C)C)Cc1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1,C32H37N7O2,551.7,4.0,103.0,2.0,7.0,12.0,41.0 +lb_00638,Cc1ccc(C(=O)Nc2cc(N3CCN(C)CC3)cc(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1,C29H28F3N7O,547.6,4.7,86.3,2.0,10.0,6.0,40.0 +lb_00639,CCCN1CCN(c2cc(C)cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)c2)CC1,C31H35N7O,521.7,5.1,86.3,2.0,7.0,8.0,39.0 +lb_00640,C=N/C=C\C=C(/C)c1ccnc(Nc2cc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)ccc2C)n1,C30H35N7O,509.6,5.8,85.8,2.0,7.0,9.0,38.0 +lb_00641,C=CC(=O)N1CCc2cc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)ccc2C1,C29H26N6O2,490.6,3.8,100.0,2.0,6.0,6.0,37.0 +lb_00642,Cc1ccc(NCc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C30H25N7O3,531.6,5.2,138.0,3.0,8.0,8.0,40.0 +lb_00643,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1NC1=NC(c2cccnc2)C=CN1,C29H33N7O,495.6,2.5,84.9,3.0,5.0,7.0,37.0 +lb_00644,Cc1ccc(NC(=O)c2ccc(N3CCN(Cc4ccc(N5CCC(=O)NC5=O)cc4F)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C38H36FN9O3,685.7,4.1,136.0,3.0,10.0,9.0,51.0 +lb_00645,Cc1ccc(NCc2ccc(C(=O)Nc3ccccc3N)cc2)cc1Nc1nccc(-c2cccnc2)n1,C30H27N7O,501.6,4.7,118.0,4.0,7.0,8.0,38.0 +lb_00646,CN1CCN(Cc2ccc(C(=O)Nc3cccc(Nc4nc(-c5cccnc5)cc(C(F)(F)F)n4)c3)cc2)CC1,C29H28F3N7O,547.6,4.1,86.3,2.0,10.0,7.0,40.0 +lb_00647,Cc1ccc(NC(=O)c2ccc(NC(=O)/C=C/CN(C)C)cc2)cc1Nc1nccc(-c2cccnc2)n1,C29H29N7O2,507.6,3.3,112.0,3.0,7.0,9.0,38.0 +lb_00648,Cc1ccc(NC(=O)c2ccnc(N3CCC(F)CC3)c2)cc1Nc1nccc(-c2cccnc2)n1,C27H26FN7O,483.5,4.2,95.9,2.0,8.0,6.0,36.0 +lb_00649,COC/C=C/C(=O)Nc1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1,C28H26N6O3,494.5,3.2,118.0,3.0,7.0,9.0,37.0 +lb_00650,Cc1ccc(NC(=O)c2ccc(CN3CC(C)NC(C)C3)c(Br)c2)cc1Nc1nccc(-c2cccnc2)n1,C30H32BrN7O,586.5,4.6,95.1,3.0,7.0,7.0,39.0 +lb_00651,CCN1CCN(c2cc(C)cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)c2)CC1,C30H33N7O,507.6,4.5,86.3,2.0,7.0,7.0,38.0 +lb_00652,Cc1ccc(NC(=O)c2ccc(N3CCCC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1,C28H25F3N6O,518.5,5.4,83.0,2.0,9.0,6.0,38.0 +lb_00653,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1ncc(-c2ccncc2)[nH]1,C28H31N7O,481.6,3.4,89.2,3.0,6.0,7.0,36.0 +lb_00654,Cc1ccc(NC(=O)c2ccc(CN(C)C)c(Br)c2)cc1Nc1nccc(-c2cccnc2)n1,C26H25BrN6O,517.4,4.4,83.0,2.0,6.0,7.0,34.0 +lb_00655,Cc1ccc(NC(=O)c2ccc(C(=O)Nc3ccccc3N)nc2)cc1Nc1nccc(-c2cccnc2)n1,C29H24N8O2,516.6,3.3,148.0,4.0,8.0,7.0,39.0 +lb_00656,C=CC(=O)N(CCN(C)C)Cc1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1,C31H33N7O2,535.6,3.8,103.0,2.0,7.0,11.0,40.0 +lb_00657,C=C/C(=C\C=C/N)c1ccnc(Nc2cc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)ccc2C)n1,C30H35N7O,509.6,4.4,99.4,3.0,7.0,9.0,38.0 +lb_00658,Cc1ccc(NC(=O)c2ccc(C3CCCN(C(C)C)C3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C31H34N6O,506.6,5.2,83.0,2.0,6.0,7.0,38.0 +lb_00659,Cc1ccc(NC(=O)c2ccc(C3CCCN(C(C)(C)C)C3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C32H36N6O,520.7,5.4,83.0,2.0,6.0,7.0,39.0 +lb_00660,C=N/C=C(\C=C/C)c1ccnc(Nc2cc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)ccc2C)n1,C30H35N7O,509.6,5.8,85.8,2.0,7.0,9.0,38.0 +lb_00661,C=C/C(=C\N=CC)c1ccnc(Nc2cc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)ccc2C)n1,C30H35N7O,509.6,4.1,85.8,2.0,7.0,9.0,38.0 +lb_00662,CCN1CCN(Cc2ccc(C(=O)N=[N+]=Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)CC1,C30H32N9O+,534.6,,100.0,1.0,8.0,8.0,40.0 +lb_00663,CCN(CC)CCN(Cc1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1)C(=O)c1cccnc1,C36H38N8O2,614.7,4.5,116.0,2.0,8.0,13.0,46.0 +lb_00664,Cc1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1.Cl,C25H18ClF6N5O,553.9,,79.8,3.0,11.0,5.0,38.0 +lb_00665,Br.Cc1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1,C25H18BrF6N5O,598.3,,79.8,3.0,11.0,5.0,38.0 +lb_00666,Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1Nc1nccc(-c2cccnc2)n1,C25H24N6O,424.5,4.0,83.0,2.0,6.0,6.0,32.0 +lb_00667,Cc1ccc(NC(=O)c2ccc(CC(C)C)cc2)cc1Nc1nccc(-c2cncnc2)n1,C26H26N6O,438.5,4.8,92.7,2.0,6.0,7.0,33.0 +lb_00668,Cc1ccc(NC(=O)c2cccc(C=O)c2)cc1Nc1nccc(-c2cccnc2)n1,C24H19N5O2,409.4,3.3,96.9,2.0,6.0,6.0,31.0 +lb_00669,Cc1ccc(NC(=O)c2ccc(C3CCCNC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C28H28N6O,464.6,4.0,91.8,3.0,6.0,6.0,35.0 +lb_00670,Cc1ccc(NC(=O)c2cccnc2C)cc1Nc1nccc(-c2cccnc2)n1,C23H20N6O,396.4,3.2,92.7,2.0,6.0,5.0,30.0 +lb_00671,Cc1ccc(NC(=O)c2ccc(CN3CCNC(=O)C3)cc2)cc1Nc1nccc(-c2ccc[n+]([O-])c2)n1,C28H27N7O3,509.6,1.8,125.0,3.0,7.0,7.0,38.0 +lb_00672,Cc1cn(-c2cc(CN3CCN(C)CC3)cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5ccccc5)n4)c3)c2)cn1,C34H36N8O,572.7,4.7,91.2,2.0,7.0,8.0,43.0 +lb_00673,C=CC(=O)Nc1ccc2cc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)ccc2c1,C30H24N6O2,500.5,4.9,109.0,3.0,6.0,7.0,38.0 +lb_00674,Cc1ccc(NC(=O)c2ccc(N3CCCCC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1,C29H27F3N6O,532.6,5.7,83.0,2.0,9.0,6.0,39.0 +lb_00675,Cc1ccc(C(=O)Nc2cccc(F)c2)cc1Nc1nccc(-c2cccnc2)n1,C23H18FN5O,399.4,4.0,79.8,2.0,6.0,5.0,30.0 +lb_00676,Cc1ccc(NC(=O)c2ccc(CN(C)Cc3ccc(N4CCC(=O)NC4=O)cc3F)cc2)cc1Nc1nccc(-c2cccnc2)n1,C36H33FN8O3,644.7,4.0,132.0,3.0,9.0,10.0,48.0 +lb_00677,Cc1ccc(N(CN2CCN(C)CC2)C(=O)c2ccccc2)cc1Nc1nccc(-c2cccnc2)n1,C29H31N7O,493.6,4.0,77.5,1.0,7.0,7.0,37.0 +lb_00678,CCC(=O)NCc1cccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)c1,C27H26N6O2,466.5,3.5,109.0,3.0,6.0,8.0,35.0 +lb_00679,Cc1ccc(NC(=O)CCCCCN2CCCCC2)cc1Nc1nccc(-c2cccnc2)n1,C27H34N6O,458.6,4.1,83.0,2.0,6.0,10.0,34.0 +lb_00680,C=CC(=O)NCc1ccc(NC(=O)c2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1,C27H24N6O2,464.5,3.6,109.0,3.0,6.0,8.0,35.0 +lb_00681,C/C=C/C(=O)N(CCN(C)C)Cc1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1,C32H35N7O2,549.7,4.0,103.0,2.0,7.0,11.0,41.0 +lb_00682,C=CC(=O)N1CCCC1c1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1,C30H28N6O2,504.6,4.3,100.0,2.0,6.0,7.0,38.0 +lb_00683,C=CC(=O)N1CCCc2cc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)ccc21,C29H26N6O2,490.6,4.2,100.0,2.0,6.0,6.0,37.0 +lb_00684,CCCC[Sn](CCCC)(CCCC)c1ccc(CN2CCN(Cc3ccc(C(=O)Cc4ccc(C)c(Nc5nccc(-c6cccnc6)n5)c4)cc3)CC2)cc1,C48H62N6OSn,857.8,,74.3,1.0,7.0,20.0,56.0 +lb_00685,Cc1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cncnc4)n3)c2)cc1,C23H20N6O,396.4,3.6,92.7,2.0,6.0,5.0,30.0 +lb_00686,Cc1cc(NC(=O)c2ccccc2)ccc1Nc1nccc(-c2cccnc2)n1,C23H19N5O,381.4,3.9,79.8,2.0,5.0,5.0,29.0 +lb_00687,CCCCc1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cncnc4)n3)c2)cc1,C26H26N6O,438.5,5.1,92.7,2.0,6.0,8.0,33.0 +lb_00688,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1N(c1cccnc1)c1ncccn1,C29H31N7O,493.6,3.6,77.5,1.0,7.0,7.0,37.0 +lb_00689,Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1,C24H18F3N5O,449.4,4.8,79.8,2.0,8.0,5.0,33.0 +lb_00690,Cc1ccc(NC(=O)c2cncc(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1,C23H17F3N6O,450.4,3.7,92.7,2.0,9.0,5.0,33.0 +lb_00691,Cc1ccc(C(=O)NCCN2CCCC2)cc1Nc1nccc(-c2cccnc2)n1,C23H26N6O,402.5,2.8,83.0,2.0,6.0,7.0,30.0 +lb_00692,Cc1ccc(NC(=O)c2ccc(C(F)(F)NCCN(C)C)cc2)cc1Nc1nccc(-c2cccnc2)n1,C28H29F2N7O,517.6,4.0,95.1,3.0,9.0,10.0,38.0 +lb_00693,Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1N(C)c1nccc(-c2cccnc2)n1,C29H31N7O,493.6,3.2,86.3,2.0,7.0,7.0,37.0 +lb_00694,Cc1ccc(NC(=O)c2cccc(N3CCN(C(C)C)CC3)c2)cc1Nc1nccc(-c2cccnc2)n1,C30H33N7O,507.6,4.6,86.3,2.0,7.0,7.0,38.0 +lb_00695,Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1N[14c]1nccc(-c2cccnc2)n1,C28H29N7O,481.6,3.0,95.1,3.0,7.0,7.0,36.0 +lb_00696,Cc1ccc(NC(=O)c2ccc(CNCc3ccc(N4CCC(=O)NC4=O)cc3F)cc2)cc1Nc1nccc(-c2cccnc2)n1,C35H31FN8O3,630.7,3.5,141.0,4.0,9.0,10.0,47.0 +lb_00697,Cc1ccc(NC(=O)c2ccccc2)cc1Nc1nccc(-c2ccccc2)n1,C24H20N4O,380.4,4.9,66.9,2.0,4.0,5.0,29.0 +lb_00698,Cc1cc(Nc2cc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)ccc2C)nc(C)n1,C26H32N6O,444.6,3.7,73.4,2.0,6.0,6.0,33.0 +lb_00699,CN1CCN(C(N)c2ccc(C(=O)Nc3cccc(Nc4nccc(-c5cccnc5)n4)c3)cc2)CC1,C28H30N8O,494.6,2.3,112.0,3.0,8.0,7.0,37.0 +lb_00700,Cc1ccc(NC(=O)c2ccc(N)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1,C24H19F3N6O,464.4,4.1,106.0,3.0,9.0,5.0,34.0 +lb_00701,C=CC(=O)N1CCc2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)ccc2C1,C29H26N6O2,490.6,3.8,100.0,2.0,6.0,6.0,37.0 +lb_00702,Cc1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4ccccc4)n3)c2)cc1,C25H22N4O,394.5,5.3,66.9,2.0,4.0,5.0,30.0 +lb_00703,C=CC(=O)Nc1ccc(NC(=O)c2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1,C26H22N6O2,450.5,3.6,109.0,3.0,6.0,7.0,34.0 +lb_00704,CCN(CC)Cc1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1Br,C28H29BrN6O,545.5,5.1,83.0,2.0,6.0,9.0,36.0 +lb_00705,C=CC(=O)N(CCN(CC)CC)Cc1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1,C33H37N7O2,563.7,4.5,103.0,2.0,7.0,13.0,42.0 +lb_00706,Cc1ccc(NC(=O)c2ccc(CN(CCN(C)C)C(=O)c3ccccn3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C34H34N8O2,586.7,4.1,116.0,2.0,8.0,11.0,44.0 +lb_00707,C=CC(=O)N(CCC(C)C)Cc1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1,C32H34N6O2,534.7,5.4,100.0,2.0,6.0,11.0,40.0 +lb_00708,Cc1ccc(NC(=O)c2ccc3c(c2)CCC3N2CCNCC2)cc1Nc1nccc(-c2cccnc2)n1,C30H31N7O,505.6,3.5,95.1,3.0,7.0,6.0,38.0 +lb_00709,CCOCCNC(=O)CN1CCN(Cc2ccc(C(=O)Nc3cccc(Nc4nccc(-c5cccnc5)n4)c3)cc2)CC1,C33H38N8O3,594.7,2.7,125.0,3.0,9.0,13.0,44.0 +lb_00710,CCCCCc1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cncnc4)n3)c2)cc1,C27H28N6O,452.6,5.6,92.7,2.0,6.0,9.0,34.0 +lb_00711,C=CC(=O)Nc1cccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)c1,C26H22N6O2,450.5,3.6,109.0,3.0,6.0,7.0,34.0 +lb_00712,Cc1cc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc(C(F)(F)F)c1,C25H20F3N5O,463.5,5.1,79.8,2.0,8.0,5.0,34.0 +lb_00713,Cc1ccc(C(=O)Nc2ccc(-c3cccnc3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1,C29H21F3N6O,526.5,5.3,92.7,2.0,9.0,6.0,39.0 +lb_00714,C=CC(=O)Nc1ccc2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)ccc2c1,C30H24N6O2,500.5,4.9,109.0,3.0,6.0,7.0,38.0 +lb_00715,Cc1ccc(NC(=O)c2ccc(C(F)NCCN(C)C)cc2)cc1Nc1nccc(-c2cccnc2)n1,C28H30FN7O,499.6,3.8,95.1,3.0,8.0,10.0,37.0 +lb_00716,Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1N[14c]1nccc(-c2cccnc2)n1.Cl,C28H30ClN7O,518.0,,95.1,4.0,7.0,7.0,37.0 +lb_00717,CC1C=CC(NC(=O)c2ccc(CN3CCN([11CH3])CC3)cc2)=CC1Nc1nccc(-c2cccnc2)n1.Cl,C29H34ClN7O,531.1,,86.3,3.0,7.0,7.0,38.0 +lb_00718,Cc1ccc(NC(=O)c2ccc(C(CCCCN)N3CCNCC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C32H38N8O,550.7,3.2,121.0,4.0,8.0,11.0,41.0 +lb_00719,C=CC(=O)NC1CN(C)Cc2cc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)ccc21,C30H29N7O2,519.6,3.2,112.0,3.0,7.0,7.0,39.0 +lb_00720,Cc1ccc(CN2CCN(C)CC2)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccncc3)n2)cc1,C30H33N7O,507.6,3.9,86.3,2.0,7.0,7.0,38.0 +lb_00721,Cc1ccc(NCc2ccc(C(=O)Nc3cc(Nc4nccc(-c5cccnc5)n4)ccc3C)cc2)cc1N,C31H29N7O,515.6,5.0,118.0,4.0,7.0,8.0,39.0 +lb_00722,Cc1ccc(NC(=O)c2ccc(CN3CC[C@H](N(C)C)C3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1,C31H32F3N7O,575.6,4.8,86.3,2.0,10.0,8.0,42.0 +lb_00723,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1cc(-c2cccnc2)ccn1,C31H31F3N6O,560.6,5.0,73.4,2.0,9.0,7.0,41.0 +lb_00724,Cc1ccc(NC(=O)c2ccc(N3CCCC(F)C3)nc2)cc1Nc1nccc(-c2cccnc2)n1,C27H26FN7O,483.5,4.2,95.9,2.0,8.0,6.0,36.0 +lb_00725,CCN1CCN(Cc2cc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cncnc5)n4)c3)ccc2C(F)(F)F)CC1,C30H31F3N8O,576.6,4.1,99.2,2.0,11.0,8.0,42.0 +lb_00726,CN1CCN(Cc2ccc(C(=O)Nc3ccc(F)c(-c4nccc(-c5cccnc5)n4)c3N)cc2)CC1,C28H28FN7O,497.6,2.4,100.0,2.0,8.0,6.0,37.0 +lb_00727,CC(=O)N1CCN(C2CCc3cc(C(=O)Nc4ccc(C)c(Nc5nccc(-c6cccnc6)n5)c4)ccc32)CC1,C32H33N7O2,547.6,3.4,103.0,2.0,7.0,6.0,41.0 +lb_00728,Cc1ccc(NC(=O)c2ccc(CN3CCN(CCF)CC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1,C30H30F4N8O,594.6,4.1,99.2,2.0,12.0,9.0,43.0 +lb_00729,C=CC(=O)NCc1cccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)c1,C27H24N6O2,464.5,3.6,109.0,3.0,6.0,8.0,35.0 +lb_00730,Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1,C29H27F3N6O,532.6,5.7,83.0,2.0,9.0,6.0,39.0 +lb_00731,Cc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C(F)(F)F)cc1Nc1nccc(-c2cccnc2)n1,C29H28F3N7O,547.6,4.7,86.3,2.0,10.0,6.0,40.0 +lb_00732,Cc1ccc(NC(=O)c2ccc(N(C)C3CCNC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C28H29N7O,479.6,3.8,95.1,3.0,7.0,7.0,36.0 +lb_00733,CCN(CC)c1cccc(NC(=O)c2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)c1,C27H28N6O,452.6,4.7,83.0,2.0,6.0,8.0,34.0 +lb_00734,Cc1cncc(-c2ccnc(Nc3cc(NC(=O)c4ccccc4)ccc3C)n2)c1,C24H21N5O,395.5,4.2,79.8,2.0,5.0,5.0,30.0 +lb_00735,Cc1ccc(N=[N+]=NC(=O)c2ccc(CN3CCNCC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C28H28N9O+,506.6,,109.0,2.0,8.0,7.0,38.0 +lb_00736,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1cc(-c2cccnc2)ncn1,C30H30F3N7O,561.6,4.4,86.3,2.0,10.0,7.0,41.0 +lb_00737,CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cncnc5)n4)c3)cc2C(F)(F)F)CC1,C30H31F3N8O,576.6,4.1,99.2,2.0,11.0,8.0,42.0 +lb_00738,CCN1CCN(Cc2ccc(C(=O)Nc3cc(F)c(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2Cl)CC1,C30H31ClFN7O,560.1,4.6,86.3,2.0,8.0,8.0,40.0 +lb_00739,Cc1ccc(NC(=O)c2ccc(C3CCN(C)CC3)cc2C(F)(F)F)cc1Nc1nccc(-c2cccnc2)n1,C30H29F3N6O,546.6,5.3,83.0,2.0,9.0,6.0,40.0 +lb_00740,Cc1ccc(CN2CCN(C)CC2)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccccn3)n2)cc1,C30H33N7O,507.6,3.9,86.3,2.0,7.0,7.0,38.0 +lb_00741,Cc1ccc(C(=O)N2CCN(Cc3c(F)cccc3F)CC2)cc1Nc1nccc(-c2cccnc2)n1,C28H26F2N6O,500.5,4.0,74.3,1.0,8.0,6.0,37.0 +lb_00742,Cc1ccc(NC(=O)c2ccc(CP(C)(C)=O)cc2)cc1Nc1nccc(-c2ccncc2)n1,C26H26N5O2P,471.5,2.8,96.9,2.0,6.0,7.0,34.0 +lb_00743,O=C(Nc1cccc(Nc2nccc(-c3ccccc3)n2)c1)c1ccc(CN2CCCCC2)cc1,C29H29N5O,463.6,5.3,70.2,2.0,5.0,7.0,35.0 +lb_00744,Cc1ccc(NC(=O)c2ccc3c(c2)CCC3N2CCN(C(C)C)CC2)cc1Nc1nccc(-c2cccnc2)n1,C33H37N7O,547.7,4.7,86.3,2.0,7.0,7.0,41.0 +lb_00745,Cc1ccc(NC(=O)c2ccc(CN3CCN(CCF)CC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1.Cl,C30H31ClF4N8O,631.1,,99.2,3.0,12.0,9.0,44.0 +lb_00746,Cc1ccc(NC(=O)c2cc(C3CCCN(C)C3)cc(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1,C30H29F3N6O,546.6,5.3,83.0,2.0,9.0,6.0,40.0 +lb_00747,CCCN1CCN(c2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)c(C(F)(F)F)c2)CC1,C31H32F3N7O,575.6,5.6,86.3,2.0,10.0,8.0,42.0 +lb_00748,CCCN1CCN(c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)CC1,C31H32F3N7O,575.6,5.6,86.3,2.0,10.0,8.0,42.0 +lb_00749,CN1CCN(C(N)c2ccc(C(=O)Nc3cc(Nc4nccc(-c5cccnc5)n4)ccc3F)cc2)CC1,C28H29FN8O,512.6,2.4,112.0,3.0,9.0,7.0,38.0 +lb_00750,Cc1c(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cccc1Nc1nccc(-c2ccc[n+]([O-])c2)n1,C29H31N7O2,509.6,2.5,98.9,2.0,7.0,7.0,38.0 +lb_00751,CCN(CC)c1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1C(F)(F)F,C28H27F3N6O,520.5,5.6,83.0,2.0,9.0,8.0,38.0 +lb_00752,Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1,C24H18F3N5O,449.4,4.8,79.8,2.0,8.0,5.0,33.0 +lb_00753,Cc1ccc(-c2ccnc(Nc3cccc(NC(=O)c4ccc(CN5CCCCC5)cc4)c3)n2)cc1,C30H31N5O,477.6,5.6,70.2,2.0,5.0,7.0,36.0 +lb_00754,Cc1ccc(C(=O)Nc2c(C)cccc2C)cc1Nc1nccc(-c2cccnc2)n1,C25H23N5O,409.5,4.6,79.8,2.0,5.0,5.0,31.0 +lb_00755,Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1Nc1nccc(-c2ccncc2)n1,C23H18ClN5O,415.9,4.5,79.8,2.0,5.0,5.0,30.0 +lb_00756,O=C(Nc1cccc(Nc2nccc(-c3cccnc3)n2)c1)c1ccc(CCl)cc1,C23H18ClN5O,415.9,3.9,79.8,2.0,5.0,6.0,30.0 +lb_00757,Cc1ccc(NC(=O)c2ccc(CN3CC[N+](C)([O-])CC3)cc2)cc1N[14c]1nccc(-c2cccnc2)n1,C29H31N7O2,511.6,3.0,101.0,2.0,7.0,7.0,38.0 +lb_00758,Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1N(N=O)c1nccc(-c2cccnc2)n1,C28H28N8O2,508.6,2.9,116.0,2.0,9.0,7.0,38.0 +lb_00759,Cc1ccc(NC(=O)c2ccc3c(c2)CCC3N2CCN(C)CC2)cc1Nc1nccc(-c2cncnc2)n1,C30H32N8O,520.6,3.3,99.2,2.0,8.0,6.0,39.0 +lb_00760,Cc1ccc(NC(=O)c2ccnc(N3CCCC(F)C3)c2)cc1Nc1nccc(-c2cccnc2)n1,C27H26FN7O,483.5,4.2,95.9,2.0,8.0,6.0,36.0 +lb_00761,Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)c(Br)c2)cc1Nc1nccc(-c2cncnc2)n1,C27H27BrN8O,559.5,3.1,108.0,3.0,8.0,7.0,37.0 +lb_00762,Cc1ccc(NCc2ccc(C(=O)Nc3ccccc3NC(=O)OC(C)(C)C)cc2)cc1Nc1nccc(-c2cccnc2)n1,C35H35N7O3,601.7,5.9,130.0,4.0,8.0,11.0,45.0 +lb_00763,CN1CCN(Cc2ccc(C(=O)Nc3cccc(Nc4ncc(-c5cccnc5)[nH]4)c3)cc2)CC1,C27H29N7O,467.6,3.0,89.2,3.0,6.0,7.0,35.0 +lb_00764,C=C(C)c1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cncnc4)n3)c2)cc1,C25H22N6O,422.5,4.6,92.7,2.0,6.0,6.0,32.0 +lb_00765,Cc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1Nc1nccc(-c2cncnc2)n1,C26H26N6O,438.5,4.9,92.7,2.0,6.0,6.0,33.0 +lb_00766,CCN1CCN(c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)CC1,C30H30F3N7O,561.6,5.1,86.3,2.0,10.0,7.0,41.0 +lb_00767,CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cncnc5)n4)c3)cc2C(F)(F)F)CC1.Cl,C30H32ClF3N8O,613.1,,99.2,3.0,11.0,8.0,43.0 +lb_00768,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1cc(-c2cccnc2)ncn1.Cl,C30H31ClF3N7O,598.1,,86.3,3.0,10.0,7.0,42.0 +lb_00769,CCN1CCN(c2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)c(C(F)(F)F)c2)CC1,C30H30F3N7O,561.6,5.1,86.3,2.0,10.0,7.0,41.0 +lb_00770,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1cc(C(F)(F)F)nc(-c2ccncc2)n1,C30H30F3N7O,561.6,4.4,86.3,2.0,10.0,7.0,41.0 +lb_00771,CCNc1cc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc(C(F)(F)F)c1,C26H23F3N6O,492.5,5.1,91.8,3.0,9.0,7.0,36.0 +lb_00772,Cc1ccc(NC(=O)c2ccc([N+]#N)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1,C24H17F3N7O+,476.4,5.4,108.0,2.0,9.0,5.0,35.0 +lb_00773,Cc1ccc(NC(=O)c2ccc(Cn3sc(=O)[nH]c3=O)cc2)cc1Nc1nccc(-c2ccncc2)n1,C26H21N7O3S,511.6,3.3,155.0,3.0,8.0,7.0,37.0 +lb_00774,Cc1ccc(NC(=O)c2ccc(CN(C)Cc3ccc(C4CCC(=O)NC4=O)c(F)c3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C37H34FN7O3,643.7,4.4,129.0,3.0,9.0,10.0,48.0 +lb_00775,Cc1ccc(NC(=O)c2ccc(C3CC3)cc2)cc1Nc1nccc(-c2cncnc2)n1,C25H22N6O,422.5,4.1,92.7,2.0,6.0,6.0,32.0 +lb_00776,C=C/C(=C\C=C/CCCC)c1ccnc(Nc2cc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)ccc2C)n1,C34H42N6O,550.7,7.2,73.4,2.0,6.0,12.0,41.0 +lb_00777,Cc1ccc(NC(=O)c2ccc(N(Cc3ccccc3)C3CCNC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C34H33N7O,555.7,5.3,95.1,3.0,7.0,9.0,42.0 +lb_00778,Cc1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4ccncc4)n3)c2)cc1,C24H21N5O,395.5,4.2,79.8,2.0,5.0,5.0,30.0 +lb_00779,Cc1ccc(NC(=O)c2ccccc2)cc1Nc1nccc(-c2ccncc2)n1,C23H19N5O,381.4,3.9,79.8,2.0,5.0,5.0,29.0 +lb_00780,Cc1ccc(NC(=O)c2ccc(CNCC(C)(C)C)cc2)cc1Nc1nccc(-c2ccccc2)n1,C30H33N5O,479.6,6.0,78.9,3.0,5.0,9.0,36.0 +lb_00781,Cc1ccc(C(=O)Nc2cccc(C(C)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1,C25H21F2N5O,445.5,4.7,79.8,2.0,7.0,6.0,33.0 +lb_00782,Cc1ccc(NC(=O)c2ccc(CC3CCN(C)CC3)c(CF)c2)cc1Nc1nccc(-c2cncnc2)n1,C30H32FN7O,525.6,4.4,95.9,2.0,8.0,8.0,39.0 +lb_00783,Cc1ccc(NC(=O)c2ccc(C(F)(F)NC3CCNC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C28H27F2N7O,515.6,3.7,104.0,4.0,9.0,8.0,38.0 +lb_00784,Cc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1,C30H29F3N6O,546.6,6.2,83.0,2.0,9.0,6.0,40.0 +lb_00785,CCC.Cc1ccc(NC(=O)c2ccccc2)cc1Nc1nccc(-c2ccncc2)n1,C26H27N5O,425.5,,79.8,2.0,5.0,5.0,32.0 +lb_00786,Cc1ccc(C(=O)Nc2ccc(C)c(Nc3ncnc(-c4cccnc4)n3)c2)cc1,C23H20N6O,396.4,4.0,92.7,2.0,6.0,5.0,30.0 +lb_00787,Cc1ccc(NC(=O)c2ccccc2)cc1Nc1ncnc(-c2cccnc2)n1,C22H18N6O,382.4,3.6,92.7,2.0,6.0,5.0,29.0 +lb_00788,Cc1ccc(NCc2ccc(C(=O)Nc3cccc(Nc4nccc(-c5cccnc5)n4)c3)cc2)cc1N,C30H27N7O,501.6,4.7,118.0,4.0,7.0,8.0,38.0 +lb_00789,Cc1ccc(NC(=O)c2ccc(CNC3CCCCC3)cc2)cc1Nc1nccc(-c2ccccc2)n1,C31H33N5O,491.6,6.1,78.9,3.0,5.0,8.0,37.0 +lb_00790,CC(=O)Nc1cc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc(C(F)(F)F)c1,C26H21F3N6O2,506.5,3.9,109.0,3.0,9.0,6.0,37.0 +lb_00791,Cc1ccc(NC(=O)C2CCCCC2)cc1Nc1nccc(-c2cccnc2)n1,C23H25N5O,387.5,4.3,79.8,2.0,5.0,5.0,29.0 +lb_00792,Cc1ccc(NC(=O)c2ccc(C(C)C)cc2)cc1Nc1nccc(-c2cncnc2)n1,C25H24N6O,424.5,4.3,92.7,2.0,6.0,6.0,32.0 +lb_00793,CCC(=O)Nc1cc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc(C(F)(F)F)c1,C27H23F3N6O2,520.5,4.4,109.0,3.0,9.0,7.0,38.0 +lb_00794,CC(C)=CC(=O)CCc1ccc(NC(=O)c2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1C,C31H31N5O2,505.6,5.6,96.9,2.0,6.0,9.0,38.0 +lb_00795,C=CC(=O)NCc1ccc(NC(=O)c2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1C,C28H26N6O2,478.5,3.9,109.0,3.0,6.0,8.0,36.0 +lb_00796,Cc1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1Nc1nccc(-c2cccnc2)n1,C24H18F3N5O,449.4,4.8,79.8,2.0,8.0,5.0,33.0 +lb_00797,Cc1ccc(NC(=O)c2cccnc2C(F)(F)F)cc1Nc1nccc(-c2cccnc2)n1,C23H17F3N6O,450.4,3.7,92.7,2.0,9.0,5.0,33.0 +lb_00798,Cc1ccc(NC(=O)c2ccc(N(C)CCN(C)C)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1,C29H30F3N7O,549.6,4.9,86.3,2.0,10.0,9.0,40.0 +lb_00799,Cc1ccc(NC(=O)c2ccc(CN3C(C)(C)C(=O)NS3(=O)=O)cc2)cc1Nc1nccc(-c2ccncc2)n1,C28H27N7O4S,557.6,2.9,155.0,3.0,9.0,7.0,40.0 +lb_00800,Cc1ccc(NC(=O)c2ccccc2)cc1Nc1nccc(-c2cnccn2)n1,C22H18N6O,382.4,2.8,92.7,2.0,6.0,5.0,29.0 +lb_00801,CC.Cc1ccc(NC(=O)c2ccccc2)cc1Nc1nccc(-c2ccncc2)n1,C25H25N5O,411.5,,79.8,2.0,5.0,5.0,31.0 +lb_00802,Cc1ccc(NC(=O)C(C)c2ccc(CC(C)C)cc2)cc1Nc1nccc(-c2cccnc2)n1,C29H31N5O,465.6,6.0,79.8,2.0,5.0,8.0,35.0 +lb_00803,Cc1ccc(NC(=O)c2ccc(C(F)NC3CCNC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C28H28FN7O,497.6,3.5,104.0,4.0,8.0,8.0,37.0 +lb_00804,CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cncnc5)n4)c3)cc2C(F)(F)F)CC1,C30H31F3N8O,576.6,4.1,99.2,2.0,11.0,8.0,42.0 +lb_00805,Cc1ccc(NC(=O)c2ccc3c(c2)CCCC3N2CCN(C)CC2)cc1Nc1nccc(-c2cncnc2)n1,C31H34N8O,534.7,3.7,99.2,2.0,8.0,6.0,40.0 +lb_00806,Cc1ccc(C(=O)NCc2cccnc2)cc1Nc1nccc(-c2cccnc2)n1,C23H20N6O,396.4,2.7,92.7,2.0,6.0,6.0,30.0 +lb_00807,Cc1cn(-c2cccc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)c2)cn1,C27H23N7O,461.5,4.0,97.6,2.0,6.0,6.0,35.0 +lb_00808,Cc1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cncc(N5CCOCC5)c4)n3)c2)cc1,C28H28N6O2,480.6,4.0,92.3,2.0,7.0,6.0,36.0 +lb_00809,Cc1ncc(NC(=O)c2ccc(CC3CCN(C)CC3)cc2)cc1Nc1nccc(-c2ccccc2)n1,C30H32N6O,492.6,4.9,83.0,2.0,6.0,7.0,37.0 +lb_00810,CCN1CCC(c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)CC1,C31H31F3N6O,560.6,5.7,83.0,2.0,9.0,7.0,41.0 +lb_00811,C=Cc1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cncnc4)n3)c2)cc1,C24H20N6O,408.5,4.0,92.7,2.0,6.0,6.0,31.0 +lb_00812,C=CC(=O)Nc1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1C(F)(F)F,C27H21F3N6O2,518.5,4.5,109.0,3.0,9.0,7.0,38.0 +lb_00813,CCN(CC)c1ccc(NC(=O)c2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1C(F)(F)F,C28H27F3N6O,520.5,5.6,83.0,2.0,9.0,8.0,38.0 +lb_00814,Cc1ccc(C(=O)Nc2ccc(Nc3nccc(-c4cccnc4)n3)cc2)cc1,C23H19N5O,381.4,3.9,79.8,2.0,5.0,5.0,29.0 +lb_00815,Cc1ccnc(Nc2cc(C(=O)Nc3ccc(CN4CCN(P(C)(C)=O)CC4)cc3)ccc2C)n1,C26H33N6O2P,492.6,2.7,90.5,2.0,7.0,7.0,35.0 +lb_00816,Cc1ccc(C(=O)Nc2cccc(Nc3nccc(-c4cccnc4)n3)c2)cc1,C23H19N5O,381.4,3.9,79.8,2.0,5.0,5.0,29.0 +lb_00817,Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1,C28H27F3N8O,548.6,3.3,108.0,3.0,11.0,7.0,40.0 +lb_00818,Cc1ccc(NC(=O)c2ccc(CC3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1,C30H30F3N7O,561.6,5.1,95.9,2.0,10.0,7.0,41.0 +lb_00819,Cc1ccc(NC(=O)c2ccc(C(F)(F)N(C)C3CCNC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C29H29F2N7O,529.6,4.2,95.1,3.0,9.0,8.0,39.0 +lb_00820,Cc1ccc(NC(=O)c2ccc(CN3CCNCC3C)cc2)cc1Nc1nccc(-c2ccc[n+]([O-])c2)n1,C29H31N7O2,509.6,2.5,108.0,3.0,7.0,7.0,38.0 +lb_00821,Cc1ccc(N(C)C(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1N(C)c1nccc(-c2cccnc2)n1,C31H35N7O,521.7,3.8,68.7,0.0,7.0,7.0,39.0 +lb_00822,CN1CCN(Cc2ccc(C(=O)Nc3ccc(F)c(Cc4nccc(-c5cccnc5)n4)c3)cc2F)CC1,C29H28F2N6O,514.6,3.4,74.3,1.0,8.0,7.0,38.0 +lb_00823,Cc1ccc(C(=O)Nc2ccccc2F)cc1Nc1nccc(-c2cccnc2)n1,C23H18FN5O,399.4,4.0,79.8,2.0,6.0,5.0,30.0 +lb_00824,Cc1ccc(C(=O)NCc2ccncc2)cc1Nc1nccc(-c2cccnc2)n1,C23H20N6O,396.4,2.7,92.7,2.0,6.0,6.0,30.0 +lb_00825,CN1CCN(Cc2ccc(C(=O)Nc3ccc4c(c3)Nc3nccc(-c5cccnc5)[n+]3C4)cc2)CC1,C29H30N7O+,492.6,3.0,77.3,2.0,6.0,5.0,37.0 +lb_00826,Cc1ccc(NC(=O)c2ccc3c(c2)CCC3N2CCN(C)CC2)cc1Nc1nccc(-c2ccncc2)n1,C31H33N7O,519.6,3.9,86.3,2.0,7.0,6.0,39.0 +lb_00827,Cc1ccc(NC(=O)c2ccc3c(c2)CC[C@@H]3N2CCN(C)CC2)cc1Nc1nccc(-c2ccncc2)n1,C31H33N7O,519.6,3.9,86.3,2.0,7.0,6.0,39.0 +lb_00828,CN1CCN(CCNC(=O)c2cccc(Nc3nccc(-c4cccnc4)n3)c2)CC1,C23H27N7O,417.5,1.8,86.3,2.0,7.0,7.0,31.0 +lb_00829,C=CC(=O)Nc1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cncnc4)n3)c2)cc1,C25H21N7O2,451.5,3.0,122.0,3.0,7.0,7.0,34.0 +lb_00830,Cc1ccc(NC(=O)c2ccc(CNCc3ccc(C4CCC(=O)NC4=O)c(F)c3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C36H32FN7O3,629.7,3.9,138.0,4.0,9.0,10.0,47.0 +lb_00831,Cc1ccc(C(N)=O)cc1Nc1nccc(-c2cccnc2)n1,C17H15N5O,305.33,1.9,93.8,2.0,5.0,4.0,23.0 +lb_00832,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1N[14c]1nccc(-c2ccc[n+]([O-])c2)n1,C29H31N7O2,511.6,2.5,98.9,2.0,7.0,7.0,38.0 +lb_00833,Cc1ccc(C(=O)Nc2ccc(C3CCN(C)CC3)cc2C(F)(F)F)cc1Nc1nccc(-c2cccnc2)n1,C30H29F3N6O,546.6,5.3,83.0,2.0,9.0,6.0,40.0 +lb_00834,Cc1ccc(NC(=O)c2ccc(C3CCCCC3)cc2)cc1Nc1nccc(-c2cncnc2)n1,C28H28N6O,464.6,5.8,92.7,2.0,6.0,6.0,35.0 +lb_00835,CCN1CCN(Cc2ccc(C(=O)Nc3cc(F)c(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2C(F)(F)F)CC1,C31H31F4N7O,593.6,4.9,86.3,2.0,11.0,8.0,43.0 +lb_00836,Cc1ccc(NC(=O)c2ccc(C(F)N(C)C3CCNC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C29H30FN7O,511.6,3.9,95.1,3.0,8.0,8.0,38.0 +lb_00837,Cc1ccc(NC(=O)c2ccc(CC3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1.Cl,C30H31ClF3N7O,598.1,,95.9,3.0,10.0,7.0,42.0 +lb_00838,CCCN1CCN(c2ccc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)c(C(F)(F)F)c2)CC1,C31H32F3N7O,575.6,5.6,86.3,2.0,10.0,8.0,42.0 +lb_00839,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)[C@H](C)C3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1,C30H31F3N8O,576.6,4.2,99.2,2.0,11.0,7.0,42.0 +lb_00840,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)[C@@H](C)C3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1,C30H31F3N8O,576.6,4.2,99.2,2.0,11.0,7.0,42.0 +lb_00841,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)C(C)C3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1,C30H31F3N8O,576.6,4.2,99.2,2.0,11.0,7.0,42.0 +lb_00842,CCCN1CCC(c2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)c(C(F)(F)F)c2)CC1,C32H33F3N6O,574.6,6.2,83.0,2.0,9.0,8.0,42.0 +lb_00843,Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1Nc1nccc(-c2ccncc2)n1,C24H18F3N5O,449.4,4.8,79.8,2.0,8.0,5.0,33.0 +lb_00844,CCCNC(=O)c1ccc(C)c(Nc2nccc(-c3cccnc3)n2)c1,C20H21N5O,347.4,3.2,79.8,2.0,5.0,6.0,26.0 +lb_00845,CC.CC.Cc1ccc(N(C)C(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1N(C)c1nccc(-c2cccnc2)n1,C35H47N7O,581.8,,68.7,0.0,7.0,7.0,43.0 +lb_00846,CCNCC.Cc1ccc(NC(=O)c2ccccc2)cc1Nc1nccc(-c2ccncc2)n1,C27H30N6O,454.6,,91.8,3.0,6.0,7.0,34.0 +lb_00847,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)C(C)C3C)cc2)cc1N(C)c1nccc(-c2cccnc2)n1,C32H37N7O,535.7,4.5,77.5,1.0,7.0,7.0,40.0 +lb_00848,Cc1ccc(NC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)cc1N(I)c1nccc(-c2cccnc2)n1,C29H31IN7O+,620.5,4.4,78.7,2.0,6.0,7.0,38.0 +lb_00849,Cc1ccc(NC(=O)c2ccc(CCN(C)C)cc2C(F)(F)F)cc1Nc1nccc(-c2cccnc2)n1,C28H27F3N6O,520.5,5.1,83.0,2.0,9.0,8.0,38.0 +lb_00850,Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1nccc(-c2ccc(N3CCN(C)CC3)nc2)n1,C29H28F3N7O,547.6,5.0,86.3,2.0,10.0,6.0,40.0 +lb_00851,CNC(=O)c1cc(NC(=O)c2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc(N2CCOCC2)c1,C29H29N7O3,523.6,2.9,121.0,3.0,8.0,7.0,39.0 +lb_00852,CCN(C)CCN(CF)Cc1ccc(C(=O)Nc2ccc(CI)c(Nc3nccc(-c4cccnc4)n3)c2)cc1,C30H33FIN7O,653.5,5.2,86.3,2.0,8.0,13.0,40.0 +lb_00853,Cc1ccc(NC(=O)c2ccc(NCCCN(C)C)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1,C29H30F3N7O,549.6,5.1,95.1,3.0,10.0,10.0,40.0 +lb_00854,CCN1CCN(c2ccc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)c(C(F)(F)F)c2)CC1,C30H30F3N7O,561.6,5.1,86.3,2.0,10.0,7.0,41.0 +lb_00855,O=C(Nc1cccc(Nc2nccc(-c3cccc(CF)c3)n2)c1)c1ccc(CN2CCCCC2)cc1,C30H30FN5O,495.6,5.4,70.2,2.0,6.0,8.0,37.0 +lb_00856,CNc1cc(NC(=O)c2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc(C(F)(F)F)c1,C25H21F3N6O,478.5,4.7,91.8,3.0,9.0,6.0,35.0 +lb_00857,CCN1CCC(c2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)c(C(F)(F)F)c2)CC1,C31H31F3N6O,560.6,5.7,83.0,2.0,9.0,7.0,41.0 +lb_00858,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)C(C)C3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1.Cl,C30H32ClF3N8O,613.1,,99.2,3.0,11.0,7.0,43.0 +lb_00859,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)[C@H](C)C3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1.Cl,C30H32ClF3N8O,613.1,,99.2,3.0,11.0,7.0,43.0 +lb_00860,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)[C@@H](C)C3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1.Cl,C30H32ClF3N8O,613.1,,99.2,3.0,11.0,7.0,43.0 +lb_00861,CCN1CCCC(c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)C1,C31H31F3N6O,560.6,5.7,83.0,2.0,9.0,7.0,41.0 +lb_00862,Cc1ccc(NCc2ccc(C(=O)N3CCN(C)C(OS(C)(=O)=O)C3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C30H33N7O4S,587.7,3.4,138.0,2.0,10.0,9.0,42.0 +lb_00863,Cc1ccc(C(=O)Nc2cccc(N3CCN(C)CC3)c2)cc1Nc1nccc(-c2ccc(F)cc2)n1,C29H29FN6O,496.6,5.0,73.4,2.0,7.0,6.0,37.0 +lb_00864,Cc1ccc(NC(=O)c2ccc(C(F)N(Cc3ccccc3)C3CCNC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,C35H34FN7O,587.7,5.4,95.1,3.0,8.0,10.0,44.0 +lb_00865,C=CC(=O)Nc1cc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc(C(F)(F)F)c1,C27H21F3N6O2,518.5,4.5,109.0,3.0,9.0,7.0,38.0 +lb_00866,Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1Nc1nccc(-c2cccnc2)n1,C28H25F3N6O,518.5,5.4,83.0,2.0,9.0,6.0,38.0 +lb_00867,Cc1ccc(NCc2ccc(C(=O)Nc3cccc(Nc4nccc(-c5cccnc5)n4)c3)cc2)cc1[N+](=O)[O-],C30H25N7O3,531.6,5.2,138.0,3.0,8.0,8.0,40.0 +lb_00868,CN1CCN(Cc2ccc(C(=O)Nc3cccc(Cc4nccc(-c5cccnc5)n4)c3)cc2F)CC1,C29H29FN6O,496.6,3.3,74.3,1.0,7.0,7.0,37.0 +lb_00869,Cc1ccc(C(=O)NCc2ncccn2)cc1Nc1nccc(-c2cccnc2)n1,C22H19N7O,397.4,2.1,106.0,2.0,7.0,6.0,30.0 +lb_00870,CC.CC.CC.CC.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)C(C)C3C)cc2)cc1N(C)c1nccc(-c2cccnc2)n1,C40H61N7O,656.0,,77.5,1.0,7.0,7.0,48.0 +lb_00871,Cc1cn(-c2cc(CF)cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)c2)cn1,C28H24FN7O,493.5,4.2,97.6,2.0,7.0,7.0,37.0 +lb_00872,CCP(=O)(CC)c1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4ccncc4)n3)c2)cc1,C27H28N5O2P,485.5,3.6,96.9,2.0,6.0,8.0,35.0 +lb_00873,Cc1ccc(C(=O)Nc2ccc(CN3CCNCC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1,C28H27F3N8O,548.6,3.3,108.0,3.0,11.0,7.0,40.0 +lb_00874,Cc1ccc(C(=O)Nc2ccc(CC3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1,C30H30F3N7O,561.6,5.1,95.9,2.0,10.0,7.0,41.0 +lb_00875,Cc1ccc(NC(=O)c2ccc(C=C3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1,C30H28F3N7O,559.6,4.7,95.9,2.0,10.0,6.0,41.0 +lb_00876,Cc1c(F)cc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1,C29H28F4N8O,580.6,3.9,99.2,2.0,12.0,7.0,42.0 +lb_00877,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1NC(=O)/C=C/c1cncnc1,C27H30N6O2,470.6,2.3,90.5,2.0,6.0,7.0,35.0 +lb_00878,Cc1ccc(NC(=O)c2ccc(C3CCCN(C)C3)cc2C(F)(F)F)cc1Nc1nccc(-c2cccnc2)n1,C30H29F3N6O,546.6,5.3,83.0,2.0,9.0,6.0,40.0 +lb_00879,Cc1ccc(NC(=S)NC(=O)c2cccc(F)c2)cc1Nc1nccc(-c2cccnc2)n1,C24H19FN6OS,458.5,4.7,124.0,3.0,7.0,5.0,33.0 +lb_00880,Cc1ccc(C(=O)Nc2cc(N)cc(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1,C24H19F3N6O,464.4,4.1,106.0,3.0,9.0,5.0,34.0 +lb_00881,Cc1cc(NC(=O)c2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc(-n2cnc(C)c2)c1,C28H25N7O,475.5,4.4,97.6,2.0,6.0,6.0,36.0 +lb_00882,[2H]c1cc(C)c([2H])n1-c1cc(C)cc(NC(=O)c2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)c1,C29H26N6O,476.6,5.0,84.7,2.0,5.0,6.0,36.0 +lb_00883,Cc1ccc(C(=O)Nc2cc(N3CCOCC3)cc(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1,C28H25F3N6O2,534.5,4.5,92.3,2.0,10.0,6.0,39.0 +lb_00884,Cc1ccc(NC(=O)c2ccc(CC(C)N(C)C)cc2C(F)(F)F)cc1Nc1nccc(-c2cccnc2)n1,C29H29F3N6O,534.6,5.5,83.0,2.0,9.0,8.0,39.0 +lb_00885,Cc1ccc(NC(=O)c2ccc(C#N)cc2)cc1Nc1nccc(-c2ccncc2)n1,C24H18N6O,406.4,3.6,104.0,2.0,6.0,5.0,31.0 +lb_00886,Cc1ccc(NC(=O)c2ccc(NC(=O)/C=C/CN(C)C)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1,C30H28F3N7O2,575.6,4.2,112.0,3.0,10.0,9.0,42.0 +lb_00887,Cc1ccc(NC(=O)c2ccc(C=C3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1.Cl,C30H29ClF3N7O,596.0,,95.9,3.0,10.0,6.0,42.0 +lb_00888,Cc1ccc(NC(=O)c2ccc(NC(=O)C=CCN(C)C)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1,C30H28F3N7O2,575.6,4.2,112.0,3.0,10.0,9.0,42.0 +lb_00889,CN1CCN(Cc2ccc(C(=O)Nc3cccc(N(c4cccnc4)c4ncccn4)c3)cc2)CC1,C28H29N7O,479.6,3.2,77.5,1.0,7.0,7.0,36.0 +lb_00890,Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)[C@H](C)C3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1,C30H31F3N8O,576.6,4.2,99.2,2.0,11.0,7.0,42.0 +lb_00891,Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)[C@@H](C)C3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1,C30H31F3N8O,576.6,4.2,99.2,2.0,11.0,7.0,42.0 +lb_00892,CNC(=O)CN(CC(=O)NC)C(=O)c1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4ccccc4)n3)c2)cc1,C31H31N7O4,565.6,3.1,145.0,4.0,7.0,10.0,42.0 +lb_00893,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)C(C(N)=O)C3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1,C30H30F3N9O2,605.6,2.7,142.0,3.0,12.0,8.0,44.0 +lb_00894,CCCN1CCCC(c2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)c(C(F)(F)F)c2)C1,C32H33F3N6O,574.6,6.2,83.0,2.0,9.0,8.0,42.0 +lb_00895,Cc1ccc(N(I)C(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1N(I)c1nccc(-c2cccnc2)n1,C29H29I2N7O,745.4,5.2,68.7,0.0,7.0,7.0,39.0 +lb_00896,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(Br)c2)cc1Nc1cc(-c2cncnc2)ccn1,C29H30BrN7O,572.5,4.2,86.3,2.0,7.0,7.0,38.0 +lb_00897,[2H]c1c(C)c([2H])c(-n2c([2H])cc(C)c2[2H])c([2H])c1NC(=O)c1ccc(C)c(Nc2nccc(-c3cccnc3)n2)c1,C29H26N6O,479.6,5.0,84.7,2.0,5.0,6.0,36.0 +lb_00898,[2H]c1nc(C)c([2H])n1-c1cc(C)cc(NC(=O)c2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)c1,C28H25N7O,477.6,4.4,97.6,2.0,6.0,6.0,36.0 +lb_00899,Cc1ccc(NC(=O)c2ccc(C)c(Nc3nccc(-c4ccccc4)n3)c2)cc1,C25H22N4O,394.5,5.3,66.9,2.0,4.0,5.0,30.0 +lb_00900,Cc1ccc(N(C(=O)c2ccc(CN3CCN(C)CC3)cc2)C(C)(C)C)cc1N(c1nccc(-c2cccnc2)n1)C(C)(C)C,C37H47N7O,605.8,5.8,68.7,0.0,7.0,9.0,45.0 +lb_00901,CCn1cc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)c(=O)c2ccc(C)nc21,C28H25N7O2,491.5,3.9,113.0,2.0,8.0,6.0,37.0 +lb_00902,Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1Nc1nccc(-c2ccccn2)n1,C23H18ClN5O,415.9,4.5,79.8,2.0,5.0,5.0,30.0 +lb_00903,Cc1ccc(C(=O)Nc2cc(N3CCC(C)CC3)cc(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1,C30H29F3N6O,546.6,6.2,83.0,2.0,9.0,6.0,40.0 +lb_00904,Cc1ccc(C(=O)Nc2ccc(CN3CCC(N(C)C)CC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1,C31H33F3N8O,590.6,4.5,99.2,2.0,11.0,8.0,43.0 +lb_00905,Cc1c(F)cc(NC(=O)c2ccc(CN3CCNCC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1,C29H27F4N7O,565.6,4.0,95.1,3.0,11.0,7.0,41.0 +lb_00906,CCN1CCCC(c2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)c(C(F)(F)F)c2)C1,C31H31F3N6O,560.6,5.7,83.0,2.0,9.0,7.0,41.0 +lb_00907,Cc1ccc(-c2ccnc(Nc3ccc(C(=O)N4CCN(Cc5cccnc5)CC4)cc3)n2)cc1,C28H28N6O,464.6,3.8,74.3,1.0,6.0,6.0,35.0 +lb_00908,C=CC(=O)Nc1ccc(C(=O)Nc2ccc(C)c(Nc3nc(C)cc(-c4cccnc4)n3)c2)cc1,C27H24N6O2,464.5,4.0,109.0,3.0,6.0,7.0,35.0 +lb_00909,CC(=O)Nc1ccccc1C(=O)C(=O)Nc1ccc(C)c(Nc2nccc(-c3cccnc3)n2)c1,C26H22N6O3,466.5,3.5,126.0,3.0,7.0,7.0,35.0 +lb_00910,Cc1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4ccc(-n5ccnc5)cc4)n3)c2)cc1,C28H24N6O,460.5,5.1,84.7,2.0,5.0,6.0,35.0 +lb_00911,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)C(C(N)=O)C3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1.Cl,C30H31ClF3N9O2,642.1,,142.0,4.0,12.0,8.0,45.0 +lb_00912,O=C(Nc1cccc(Nc2nccc(-c3ccc(C(F)(F)F)cc3)n2)c1)c1ccc(CN2CCCCC2)cc1,C30H28F3N5O,531.6,6.1,70.2,2.0,8.0,7.0,39.0 +lb_00913,Cc1ccc(C(=O)NC2CCN(c3ncccn3)CC2)cc1Nc1nccc(-c2cccnc2)n1,C26H26N8O,466.5,3.3,109.0,2.0,8.0,6.0,35.0 +lb_00914,Cc1ccc(C(=O)Nc2ccc(Nc3nccc(-c4cccnc4)n3)cc2)cc1NC(=O)/C=C/CN(C)C,C29H29N7O2,507.6,3.3,112.0,3.0,7.0,9.0,38.0 +lb_00915,Cc1cn(-c2cc(F)cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)c2)cn1,C27H22FN7O,479.5,4.1,97.6,2.0,7.0,6.0,36.0 +lb_00916,[2H]c1c(C)c([2H])c(-n2c([2H])nc(C)c2[2H])c([2H])c1NC(=O)c1ccc(C)c(Nc2nccc(-c3cccnc3)n2)c1,C28H25N7O,480.6,4.4,97.6,2.0,6.0,6.0,36.0 +lb_00917,[2H]c1c(C)c([2H])c(-n2ccc(C)c2)c([2H])c1NC(=O)c1ccc(C)c(Nc2nccc(-c3cccnc3)n2)c1,C29H26N6O,477.6,5.0,84.7,2.0,5.0,6.0,36.0 +lb_00918,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1ccnc(-c2cncnc2)c1,C30H30F3N7O,561.6,4.1,86.3,2.0,10.0,7.0,41.0 +lb_00919,Cc1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4ccccn4)n3)c2)cc1,C24H21N5O,395.5,4.3,79.8,2.0,5.0,5.0,30.0 +lb_00920,Cc1ccc(C(=O)Nc2ccc(C=C3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1,C30H28F3N7O,559.6,4.7,95.9,2.0,10.0,6.0,41.0 +lb_00921,Cc1ccc(NC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2C(F)(F)F)cc1Nc1nccc(-c2cccnc2)n1,C31H32F3N7O,575.6,5.5,86.3,2.0,10.0,7.0,42.0 +lb_00922,CCCN1CCC(c2ccc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)c(C(F)(F)F)c2)CC1,C32H33F3N6O,574.6,6.2,83.0,2.0,9.0,8.0,42.0 +lb_00923,Cc1ccc(C(=O)NCc2ccccn2)cc1Nc1nccc(-c2cccnc2)n1,C23H20N6O,396.4,2.8,92.7,2.0,6.0,6.0,30.0 +lb_00924,Cc1ccc(NC(=O)c2ccccc2)cc1Nc1nccc(-c2ccc[n+]([O-])c2)n1,C23H19N5O2,397.4,2.9,92.4,2.0,5.0,5.0,30.0 +lb_00925,Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1,C23H17F3N6O,450.4,4.1,92.7,2.0,9.0,5.0,33.0 +lb_00926,CCc1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1,C26H19F6N5O,531.5,6.1,79.8,2.0,11.0,6.0,38.0 +lb_00927,[2H]c1c(C)c([2H])c(-n2cnc(C)c2)c([2H])c1NC(=O)c1ccc(C)c(Nc2nccc(-c3cccnc3)n2)c1,C28H25N7O,478.6,4.4,97.6,2.0,6.0,6.0,36.0 +lb_00928,Cc1ccc(NC(=O)c2ccc(CC3CCN(C)C(C)C3C)cc2)cc1N(C)c1nccc(-c2cccnc2)n1,C33H38N6O,534.7,5.9,74.3,1.0,6.0,7.0,40.0 +lb_00929,C=CC=N/C=C(\C)c1ccnc(Nc2cc(NC(=O)c3ccc(CN4CCNCC4)cc3)ccc2C)n1,C29H33N7O,495.6,3.8,94.5,3.0,7.0,9.0,37.0 +lb_00930,Cc1ccc(NC(=O)c2ccc(C[N+]3([O-])CC[N+](C)([O-])CC3)cc2)cc1Nc1nccc(-c2ccc[n+]([O-])c2)n1,C29H31N7O4,541.6,1.4,129.0,2.0,7.0,7.0,40.0 +lb_00931,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1ccnc(-c2cncnc2)n1,C29H29F3N8O,562.6,3.8,99.2,2.0,11.0,7.0,41.0 +lb_00932,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1ccnc(-c2cncnc2)c1.Cl,C30H31ClF3N7O,598.1,,86.3,3.0,10.0,7.0,42.0 +lb_00933,CC1=CN(c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)CN1,C28H24F3N7O,531.5,5.2,95.1,3.0,10.0,6.0,39.0 +lb_00934,O=C(Nc1cccc(Nc2nccc(-c3cccnc3)n2)c1)c1ccccc1,C22H17N5O,367.4,3.5,79.8,2.0,5.0,5.0,28.0 +lb_00935,O=C(Nc1cccc(Nc2nccc(-c3cccnc3)n2)c1)c1ccncc1,C21H16N6O,368.4,2.4,92.7,2.0,6.0,5.0,28.0 +lb_00936,CCN1CCC(c2ccc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)c(C(F)(F)F)c2)CC1,C31H31F3N6O,560.6,5.7,83.0,2.0,9.0,7.0,41.0 +lb_00937,O=C(Nc1cccc(Nc2nccc(-c3cccnc3)n2)c1)c1ccc(F)cc1,C22H16FN5O,385.4,3.6,79.8,2.0,6.0,5.0,29.0 +lb_00938,Nc1ccc(C(=O)Nc2cccc(Nc3nccc(-c4cccnc4)n3)c2)cc1,C22H18N6O,382.4,2.8,106.0,3.0,6.0,5.0,29.0 +lb_00939,C=CC(=O)NCc1ccc(NC(=O)c2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1-n1cnc(C)c1,C31H28N8O2,544.6,3.7,127.0,3.0,7.0,9.0,41.0 +lb_00940,Cc1ccc(NC(=O)c2ccccc2CF)cc1Nc1nccc(-c2cncnc2)n1,C23H19FN6O,414.4,3.4,92.7,2.0,7.0,6.0,31.0 +lb_00941,CN1CCN(Cc2ccc(C(=O)Nc3cccc(Nc4ccccc4-c4ccncn4)c3)cc2)CC1,C29H30N6O,478.6,3.9,73.4,2.0,6.0,7.0,36.0 +lb_00942,Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1.Cl,C23H18ClF3N6O,486.9,,92.7,3.0,9.0,5.0,34.0 +lb_00943,Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5ccccc5)n4)c3)cc(N3CCN(C)CC3)c2)cn1,C33H34N8O,558.7,5.0,91.2,2.0,7.0,7.0,42.0 +lb_00944,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1cc(-c2cncnc2)ccn1,C30H30F3N7O,561.6,4.4,86.3,2.0,10.0,7.0,41.0 +lb_00945,C=C(C=N/C=C\C)c1ccnc(Nc2cc(NC(=O)c3ccc(CN4CCNCC4)cc3)ccc2C)n1,C29H33N7O,495.6,3.5,94.5,3.0,7.0,9.0,37.0 +lb_00946,CC.CC.CC.CC.Cc1ccc(NC(=O)c2ccc(CC3CCN(C)C(C)C3C)cc2)cc1N(C)c1nccc(-c2cccnc2)n1,C41H62N6O,655.0,,74.3,1.0,6.0,7.0,48.0 +lb_00947,Cc1ccc(NC(=O)c2ccc(C3CCN(C(C)C)CC3)cc2C(F)(F)F)cc1Nc1nccc(-c2cccnc2)n1,C32H33F3N6O,574.6,6.1,83.0,2.0,9.0,7.0,42.0 +lb_00948,Cc1ccc(C(=O)Nc2ccc(C3CCCN(C)C3)cc2C(F)(F)F)cc1Nc1nccc(-c2cccnc2)n1,C30H29F3N6O,546.6,5.3,83.0,2.0,9.0,6.0,40.0 +lb_00949,Cc1ccc(NC(=O)c2ccc(CN3CCN[C@@H](C)C3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1,C29H29F3N8O,562.6,3.7,108.0,3.0,11.0,7.0,41.0 +lb_00950,Cc1ccc(NC(=O)c2ccc(CN3CCN[C@H](C)C3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1,C29H29F3N8O,562.6,3.7,108.0,3.0,11.0,7.0,41.0 +lb_00951,Cc1ccc(NC(=O)c2ccc(CN3CCNC(C)C3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1,C29H29F3N8O,562.6,3.7,108.0,3.0,11.0,7.0,41.0 +lb_00952,Cc1ccc(N(C(=O)c2ccc(CN3CCN(C)CC3)cc2)S(=O)(=O)C(F)(F)F)cc1Nc1nccc(-c2cnccc2C(F)(F)F)n1,C31H29F6N7O3S,693.7,5.4,120.0,1.0,15.0,8.0,48.0 +lb_00953,Cc1ccc(C(=O)Nc2ccccc2)cc1Nc1nccc(-c2ccncc2)n1,C23H19N5O,381.4,3.9,79.8,2.0,5.0,5.0,29.0 +lb_00954,Cc1ccc(NC(=O)c2ccc(C)c(Nc3nccc(-c4ccncc4)n3)c2)cc1,C24H21N5O,395.5,4.2,79.8,2.0,5.0,5.0,30.0 +lb_00955,Cc1ccc(NC(=O)c2ccc(C(=O)Nc3ccccc3N)cc2)cc1Nc1ncc(-c2cccnc2)cn1,C30H25N7O2,515.6,4.0,135.0,4.0,7.0,7.0,39.0 +lb_00956,Cc1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)cc1N(c1cccnc1)c1ncccn1,C29H30N6O,478.6,4.6,74.3,1.0,6.0,7.0,36.0 +lb_00957,Cc1ccc(C(=O)NCCCCN(C)C)cc1Nc1nccc(-c2cccnc2)n1,C23H28N6O,404.5,3.1,83.0,2.0,6.0,9.0,30.0 +lb_00958,Cc1ccc(CN2CCCCC2)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccccc3)n2)cc1,C31H33N5O,491.6,6.0,70.2,2.0,5.0,7.0,37.0 +lb_00959,Cc1ccc(CN2CCN(C)CC2)cc1NC(=O)c1ccc(Nc2ncc(F)c(-c3ccncc3)n2)c(F)c1,C29H29F2N7O,529.6,3.7,86.3,2.0,9.0,7.0,39.0 +lb_00960,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1cc(-c2cncnc2)ccn1.Cl,C30H31ClF3N7O,598.1,,86.3,3.0,10.0,7.0,42.0 +lb_00961,Cc1ccn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)c1,C29H23F3N6O,528.5,5.5,84.7,2.0,8.0,6.0,39.0 +lb_00962,C=Cc1nc(C)cn1-c1cc(C)cc(NC(=O)c2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)c1,C30H27N7O,501.6,5.2,97.6,2.0,6.0,7.0,38.0 +lb_00963,C=CCN(C)/C=C(\C)c1ccnc(Nc2cc(NC(=O)c3ccc(CN4CCNCC4)cc3)ccc2C)n1,C30H37N7O,511.7,4.3,85.4,3.0,7.0,10.0,38.0 +lb_00964,Cc1ccc(C(=O)Nc2cc(N3C=NC(C)C3)cc(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1,C28H24F3N7O,531.5,4.2,95.4,2.0,9.0,6.0,39.0 +lb_00965,Cc1ccc(NC(=O)c2ccc(CN3CCC[C@H](N)C3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1,C29H29F3N8O,562.6,3.6,122.0,3.0,11.0,7.0,41.0 +lb_00966,Cc1ccc(NC(=O)c2ccc(CN3CCCC(N)C3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1,C29H29F3N8O,562.6,3.6,122.0,3.0,11.0,7.0,41.0 +lb_00967,Cc1ccc(NC(=O)c2ccc(CN3CCNC(C)C3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1.Cl,C29H30ClF3N8O,599.0,,108.0,4.0,11.0,7.0,42.0 +lb_00968,Cc1ccc(NC(=O)c2ccc(CN3CCC[C@@H](N)C3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1,C29H29F3N8O,562.6,3.6,122.0,3.0,11.0,7.0,41.0 +lb_00969,Cc1ccc(NC(=O)c2ccc(CN3CCN[C@H](C)C3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1.Cl,C29H30ClF3N8O,599.0,,108.0,4.0,11.0,7.0,42.0 +lb_00970,CCCN1CCCC(c2ccc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)c(C(F)(F)F)c2)C1,C32H33F3N6O,574.6,6.2,83.0,2.0,9.0,8.0,42.0 +lb_00971,Cc1ccc(NC(=O)c2ccc(CC(=N)C[C@@H](C)CN(C)C)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1,C32H34F3N7O,589.7,5.2,107.0,3.0,10.0,11.0,43.0 +lb_00972,O=C(Nc1ccccc1)c1ccc(CNc2nccc(-c3cccnc3)n2)cc1,C23H19N5O,381.4,3.4,79.8,2.0,5.0,6.0,29.0 +lb_00973,Cc1ccc(N(C)C(=O)c2ccccc2)cc1Nc1nccc(-c2cccnc2)n1,C24H21N5O,395.5,4.1,71.0,1.0,5.0,5.0,30.0 +lb_00974,Cc1ccc(NC(=O)c2ccc(F)cc2)c(Nc2nccc(-c3cccnc3)n2)c1,C23H18FN5O,399.4,4.0,79.8,2.0,6.0,5.0,30.0 +lb_00975,Nc1ccccc1NC(=O)c1ccc(C(=O)Nc2cccc(Nc3nccc(-c4cccnc4)n3)c2)cc1,C29H23N7O2,501.5,3.7,135.0,4.0,7.0,7.0,38.0 +lb_00976,CCc1ccc(C(=O)Nc2ccc(C)c(N(C(C)=O)c3nccc(-c4cccnc4)n3)c2)cc1,C27H25N5O2,451.5,4.0,88.1,1.0,5.0,6.0,34.0 +lb_00977,C[NH+](C)CCCC(=O)Nc1ccc(C(=O)Nc2cccc(Nc3nccc(-c4cccnc4)n3)c2)cc1,C28H30N7O2+,496.6,3.0,113.0,4.0,6.0,10.0,37.0 +lb_00978,Cc1ccc(C(=O)Nc2ccccc2CN(C)C2CCCCC2)cc1Nc1nccc(-c2cccnc2)n1,C31H34N6O,506.6,5.5,83.0,2.0,6.0,8.0,38.0 +lb_00979,[2H]c1cc(C)c([2H])n1-c1cc(C)cc(NC(=O)c2ccc(C([2H])([2H])[2H])c(Nc3nccc(-c4cccnc4)n3)c2)c1,C29H26N6O,479.6,5.0,84.7,2.0,5.0,6.0,36.0 +lb_00980,[2H]C([2H])([2H])c1ccc(C(=O)Nc2cc(C)cc(-n3ccc(C)c3)c2)cc1Nc1nccc(-c2cccnc2)n1,C29H26N6O,477.6,5.0,84.7,2.0,5.0,6.0,36.0 +lb_00981,Cc1c(F)cc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1cccc(-c2cccnc2)n1,C31H30F4N6O,578.6,5.2,73.4,2.0,10.0,7.0,42.0 +lb_00982,CC1=CCN(c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(C)(F)F)c2)C=N1,C30H27F2N7O,539.6,4.5,95.4,2.0,8.0,7.0,40.0 +lb_00983,CCN1CCN(Cc2c#cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cncnc5)n4)c3)cc2C(F)(F)F)CC1,C30H29F3N8O,574.6,3.0,99.2,2.0,11.0,8.0,42.0 +lb_00984,CC1=CN(c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)C=CC1,C30H25F3N6O,542.6,5.7,83.0,2.0,9.0,6.0,40.0 +lb_00985,CCN1CCCC(c2ccc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)c(C(F)(F)F)c2)C1,C31H31F3N6O,560.6,5.7,83.0,2.0,9.0,7.0,41.0 +lb_00986,C=CC(=O)N(C)CC(=O)N1CCCC(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)C1,C28H31N7O3,513.6,2.3,120.0,2.0,7.0,8.0,38.0 +lb_00987,Cc1ccc(NC(=O)c2ccc(CN3CCC[C@H](N(C)C)C3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1,C31H33F3N8O,590.6,4.5,99.2,2.0,11.0,8.0,43.0 +lb_00988,Cc1ccc(NC(=O)c2ccc(CN3CCCC(N(C)C)C3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1,C31H33F3N8O,590.6,4.5,99.2,2.0,11.0,8.0,43.0 +lb_00989,Cc1ccc(NC(=O)c2ccc(CN3CCCC(N)C3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1.Cl,C29H30ClF3N8O,599.0,,122.0,4.0,11.0,7.0,42.0 +lb_00990,Cc1ccc(NC(=O)c2ccc(CN3CCC[C@H](N)C3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1.Cl,C29H30ClF3N8O,599.0,,122.0,4.0,11.0,7.0,42.0 +lb_00991,Nc1ccccc1NC(=O)c1ccc(Nc2nccc(-c3cccnc3)n2)cc1,C22H18N6O,382.4,2.8,106.0,3.0,6.0,5.0,29.0 +lb_00992,N#Cc1ccc(C(=O)Nc2cccc(Nc3nccc(-c4cccnc4)n3)c2)cc1,C23H16N6O,392.4,3.2,104.0,2.0,6.0,5.0,30.0 +lb_00993,CCN1CCN(Cc2ccc(Nc3nccc(-c4ccc(C(=O)NCC#N)cc4)n3)cc2)CC1,C26H29N7O,455.6,2.8,97.2,2.0,7.0,8.0,34.0 +lb_00994,Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1Nc1nccc(-c2cnccn2)n1,C24H23N7O,425.5,3.0,95.9,2.0,7.0,6.0,32.0 +lb_00995,Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1N(c1cccnc1)c1ncccn1,C28H29N7O,479.6,3.1,86.3,2.0,7.0,7.0,36.0 +lb_00996,CN(C)CCCC(=O)Nc1ccc(C(=O)Nc2cccc(Nc3nccc(-c4cccnc4)n3)c2)cc1,C28H29N7O2,495.6,3.0,112.0,3.0,7.0,10.0,37.0 +lb_00997,CCN(CC)c1cccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cnccn4)n3)c2)c1,C26H27N7O,453.5,3.7,95.9,2.0,7.0,8.0,34.0 +lb_00998,Cc1ccc(NC(=O)c2ccc(C(C)C)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1,C26H23F3N6O,492.5,5.2,92.7,2.0,9.0,6.0,36.0 +lb_00999,Cc1ccc(NC(=O)c2ccc(C#N)cc2)cc1Nc1nccc(-c2ccc(-n3ccnc3)cc2)n1,C28H21N7O,471.5,4.4,109.0,2.0,6.0,6.0,36.0 diff --git a/data/ligands/prelim_set_abl1_1iep/ligand_provenance.csv b/data/ligands/prelim_set_abl1_1iep/ligand_provenance.csv new file mode 100644 index 0000000000000000000000000000000000000000..254ff01d52612f1fc4df1349896e9867e5fd3f91 --- /dev/null +++ b/data/ligands/prelim_set_abl1_1iep/ligand_provenance.csv @@ -0,0 +1,1001 @@ 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+lb_00021,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CCOCC1,C21H22ClFN4O3,432.9,3.8,68.7,1.0,8.0,7.0,30.0 +lb_00022,Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(OCCCN4CCOCC4)cc23)cc1Cl,C28H35ClFN5O4,560.1,4.1,81.2,1.0,10.0,12.0,39.0 +lb_00023,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1.O=S(=O)(O)O.O=S(=O)(O)O,C22H28ClFN4O11S2,643.1,,235.0,5.0,16.0,8.0,41.0 +lb_00024,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1.O=P(O)(O)O,C22H27ClFN4O7P,544.9,,147.0,4.0,12.0,8.0,36.0 +lb_00025,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1.O=S(=O)(O)O,C22H26ClFN4O7S,545.0,,152.0,3.0,12.0,8.0,36.0 +lb_00026,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1.CS(=O)(=O)O,C23H28ClFN4O6S,543.0,,131.0,2.0,11.0,8.0,36.0 +lb_00027,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1.O=[Se](=O)([O-])[O-].[Na+].[Na+],C22H24ClFN4Na2O7Se,635.8,,149.0,1.0,12.0,8.0,38.0 +lb_00028,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1.O=[N+]([O-])[O-],C22H24ClFN5O6-,508.9,,132.0,1.0,11.0,8.0,35.0 +lb_00029,CC(=O)O.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1,C24H28ClFN4O5,507.0,,106.0,2.0,10.0,8.0,35.0 +lb_00030,[2H][13C]([2H])([2H])Oc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1,C22H24ClFN4O3,450.9,4.1,68.7,1.0,8.0,8.0,31.0 +lb_00031,[2H]C([2H])([2H])Oc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1,C22H24ClFN4O3,449.9,4.1,68.7,1.0,8.0,8.0,31.0 +lb_00032,COCCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1,C25H30ClFN4O4,505.0,4.3,78.0,1.0,9.0,12.0,35.0 +lb_00033,CCC(=O)O.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1,C25H30ClFN4O5,521.0,,106.0,2.0,10.0,9.0,36.0 +lb_00034,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OOCCCN1CCOCC1,C22H24ClFN4O4,462.9,4.2,78.0,1.0,9.0,9.0,32.0 +lb_00035,COc1cc2ncnc(Nc3ccc(Cl)c(F)c3)c2cc1OCCCN1CCOCC1,C22H24ClFN4O3,446.9,4.1,68.7,1.0,8.0,8.0,31.0 +lb_00036,Fc1ccc(Nc2ncnc3cc(OCCCCl)c(OCCCN4CCOCC4)cc23)cc1Cl,C24H27Cl2FN4O3,509.4,5.1,68.7,1.0,8.0,11.0,34.0 +lb_00037,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1.O=S(=O)(O)OS(=O)(=O)O,C22H26ClFN4O10S2,625.0,,203.0,3.0,15.0,10.0,40.0 +lb_00038,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CCCOCC1,C22H24ClFN4O3,446.9,4.1,68.7,1.0,8.0,7.0,31.0 +lb_00039,CCCCCCCCCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1,C31H42ClFN4O3,573.1,8.6,68.7,1.0,8.0,17.0,40.0 +lb_00040,COc1cc2ncnc(Nc3ccc(Cl)c(F)c3)c2cc1OCCCN1CCOCC1.Cl,C22H25Cl2FN4O3,483.4,,68.7,2.0,8.0,8.0,32.0 +lb_00041,NCCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1,C24H29ClFN5O3,490.0,3.5,94.8,2.0,9.0,11.0,34.0 +lb_00042,Fc1ccc(Nc2ncnc3cc(OCCCl)c(OCCCN4CCOCC4)cc23)cc1Cl,C23H25Cl2FN4O3,495.4,4.7,68.7,1.0,8.0,10.0,33.0 +lb_00043,Fc1ccc(Nc2ncnc3cc(OCCCCCl)c(OCCCN4CCOCC4)cc23)cc1Cl,C25H29Cl2FN4O3,523.4,5.4,68.7,1.0,8.0,12.0,35.0 +lb_00044,COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3)c2cc1OCCCN1CCOCC1,C22H24Cl2N4O3,463.4,4.6,68.7,1.0,7.0,8.0,31.0 +lb_00045,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCCC1,C22H24ClFN4O2,430.9,5.0,59.5,1.0,7.0,8.0,30.0 +lb_00046,COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCCC1,C22H24ClFN4O2,430.9,5.0,59.5,1.0,7.0,8.0,30.0 +lb_00047,COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1,C22H24Cl2N4O3,463.4,4.6,68.7,1.0,7.0,8.0,31.0 +lb_00048,[2H]N(c1ccc(F)c(Cl)c1)c1ncnc2cc(OC)c(OCCCN3CCOCC3)cc12,C22H24ClFN4O3,447.9,4.1,68.7,1.0,8.0,8.0,31.0 +lb_00049,[2H]C1([2H])COCC([2H])([2H])N1CCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC,C22H24ClFN4O3,450.9,4.1,68.7,1.0,8.0,8.0,31.0 +lb_00050,[2H]C1([2H])CN(CCCOc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CC([2H])([2H])O1,C22H24ClFN4O3,450.9,4.1,68.7,1.0,8.0,8.0,31.0 +lb_00051,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCC(F)CC1,C23H25ClF2N4O2,462.9,5.4,59.5,1.0,8.0,8.0,32.0 +lb_00052,OCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1,C23H26ClFN4O4,476.9,3.4,89.0,2.0,9.0,10.0,33.0 +lb_00053,OCCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1,C24H28ClFN4O4,491.0,3.8,89.0,2.0,9.0,11.0,34.0 +lb_00054,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1.Nc1ncnc2ccccc12,C30H31ClFN7O3,592.1,,121.0,2.0,11.0,8.0,42.0 +lb_00055,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCCCC1,C23H26ClFN4O2,444.9,5.3,59.5,1.0,7.0,8.0,31.0 +lb_00056,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCN(C)CC1,C23H27ClFN5O2,459.9,4.3,62.8,1.0,8.0,8.0,32.0 +lb_00057,COc1cc2ncnc(Nc3ccc(C)c(Cl)c3)c2cc1OCCCN1CCOCC1,C23H27ClN4O3,442.9,4.4,68.7,1.0,7.0,8.0,31.0 +lb_00058,COc1cc2ncnc(Nc3ccc(F)c(F)c3)c2cc1OCCCN1CCOCC1.Cl,C22H25ClF2N4O3,466.9,,68.7,2.0,9.0,8.0,32.0 +lb_00059,COc1cc2ncnc(Nc3ccc(NC(=O)Nc4ccc(F)c(Cl)c4)cc3)c2cc1OCCCN1CCOCC1,C29H30ClFN6O4,581.0,4.7,110.0,3.0,9.0,10.0,41.0 +lb_00060,COc1cc2ncnc(Nc3ccc(/C=C/c4ccc(F)c(Cl)c4)cc3)c2cc1OCCCN1CCOCC1,C30H30ClFN4O3,549.0,6.4,68.7,1.0,8.0,10.0,39.0 +lb_00061,COc1cc2c(Nc3ccc(/C=C/c4ccc(F)c(Cl)c4)cc3)ncnc2cc1OCCCN1CCOCC1,C30H30ClFN4O3,549.0,6.4,68.7,1.0,8.0,10.0,39.0 +lb_00062,Fc1ccc(Nc2ncnc3cc(OCCN4CCOCC4)c(OCCN4CCOCC4)cc23)cc1Cl,C26H31ClFN5O4,532.0,3.4,81.2,1.0,10.0,10.0,37.0 +lb_00063,CC(C)Oc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1,C24H28ClFN4O3,475.0,4.9,68.7,1.0,8.0,9.0,33.0 +lb_00064,COc1cc2ncnc(Nc3cccc(NC(=O)Nc4ccc(F)c(Cl)c4)c3)c2cc1OCCCN1CCOCC1,C29H30ClFN6O4,581.0,4.7,110.0,3.0,9.0,10.0,41.0 +lb_00065,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1.c1ccc2ncncc2c1,C30H30ClFN6O3,577.0,,94.5,1.0,10.0,8.0,41.0 +lb_00066,COc1cc2ncnc(Nc3ccc(F)c(CCl)c3)c2cc1OCCCN1CCOCC1,C23H26ClFN4O3,460.9,3.9,68.7,1.0,8.0,9.0,32.0 +lb_00067,Fc1ccc(Nc2ncnc3cc(OCCCCCCCCBr)c(OCCCN4CCOCC4)cc23)cc1Cl,C29H37BrClFN4O3,624.0,7.4,68.7,1.0,8.0,16.0,39.0 +lb_00068,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CC[Se]CC1,C22H24ClFN4O2Se,509.9,,59.5,1.0,7.0,8.0,31.0 +lb_00069,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCNCC1,C22H25ClFN5O2,445.9,3.8,71.5,2.0,8.0,8.0,31.0 +lb_00070,COc1cc2ncnc(Nc3ccc(F)c([ClH+])c3)c2cc1OCCCN1CCOCC1,C22H25ClFN4O3+,447.9,4.1,68.7,2.0,8.0,8.0,31.0 +lb_00071,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CC[NH2+]CC1,C22H26ClFN5O2+,446.9,3.8,76.1,2.0,7.0,8.0,31.0 +lb_00072,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCN(I)CC1,C22H24ClFIN5O2,571.8,4.7,62.8,1.0,8.0,8.0,32.0 +lb_00073,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CC[I-]CC1,C22H24ClFIN4O2-,557.8,5.8,59.5,1.0,8.0,8.0,31.0 +lb_00074,COc1cc2ncnc(Nc3ccc(I)c(Cl)c3)c2cc1OCCCN1CCOCC1,C22H24ClIN4O3,554.8,4.7,68.7,1.0,7.0,8.0,31.0 +lb_00075,COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCCN1CCCC1,C23H26ClFN4O2,444.9,5.3,59.5,1.0,7.0,9.0,31.0 +lb_00076,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOC(C)CC1,C24H28ClFN4O3,475.0,4.9,68.7,1.0,8.0,8.0,33.0 +lb_00077,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CC2(CCOCC2)C1,C25H28ClFN4O3,487.0,4.7,68.7,1.0,8.0,8.0,34.0 +lb_00078,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCC2(CC1)COC2,C25H28ClFN4O3,487.0,4.7,68.7,1.0,8.0,8.0,34.0 +lb_00079,Fc1ccc(Nc2ncnc3cc(OCC4CC4)c(OCCCN4CCOCC4)cc23)cc1Cl,C25H28ClFN4O3,487.0,4.9,68.7,1.0,8.0,10.0,34.0 +lb_00080,Fc1ccc(Nc2ncnc3cc(OCCOC(F)F)c(OCCCN4CCOCC4)cc23)cc1Cl,C24H26ClF3N4O4,526.9,4.9,78.0,1.0,11.0,12.0,36.0 +lb_00081,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCNCCNCCNCC1,C26H35ClFN7O2,532.1,3.0,95.6,4.0,10.0,8.0,37.0 +lb_00082,COc1cc2nc(Cl)nc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1,C22H23Cl2FN4O3,481.3,5.1,68.7,1.0,8.0,8.0,32.0 +lb_00083,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCC(F)(F)CC1,C23H24ClF3N4O2,480.9,5.6,59.5,1.0,9.0,8.0,33.0 +lb_00084,CC.Oc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1,C23H28ClFN4O3,462.9,,79.7,2.0,8.0,7.0,32.0 +lb_00085,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCNCC1.Cl.Cl,C22H27Cl3FN5O2,518.8,,71.5,4.0,8.0,8.0,33.0 +lb_00086,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCNCC1.Cl,C22H26Cl2FN5O2,482.4,,71.5,3.0,8.0,8.0,32.0 +lb_00087,Oc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1,C21H22ClFN4O3,432.9,3.8,79.7,2.0,8.0,7.0,30.0 +lb_00088,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCC2(CCOCC2)C1,C26H30ClFN4O3,501.0,5.1,68.7,1.0,8.0,8.0,35.0 +lb_00089,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOC(=O)C1,C22H22ClFN4O4,460.9,4.2,85.8,1.0,9.0,8.0,32.0 +lb_00090,CCCCCCCCCCCCOS(=O)(=O)O.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1,C34H50ClFN4O7S,713.3,,141.0,2.0,12.0,20.0,48.0 +lb_00091,Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(OC4CCOCC4)cc23)cc1Cl,C26H30ClFN4O4,517.0,4.5,78.0,1.0,9.0,9.0,36.0 +lb_00092,COc1cc2ncnc(Nc3ccc(F)cc3)c2cc1OCCCN1CCOCC1,C22H25FN4O3,412.5,3.5,68.7,1.0,8.0,8.0,30.0 +lb_00093,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCC(O)CC1,C23H26ClFN4O3,460.9,4.4,79.7,2.0,8.0,8.0,32.0 +lb_00094,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCC(OC)CC1,C24H28ClFN4O3,475.0,4.9,68.7,1.0,8.0,9.0,33.0 +lb_00095,[2H]C1([2H])OC([2H])([2H])C([2H])([2H])N(CCCOc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)C1([2H])[2H],C22H24ClFN4O3,454.9,4.1,68.7,1.0,8.0,8.0,31.0 +lb_00096,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCCN(C)CC1,C24H29ClFN5O2,474.0,4.6,62.8,1.0,8.0,8.0,33.0 +lb_00097,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCN(C(C)(C)C)CC1,C26H33ClFN5O2,502.0,5.3,62.8,1.0,8.0,9.0,35.0 +lb_00098,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCN(C(C)C)CC1,C25H31ClFN5O2,488.0,5.1,62.8,1.0,8.0,9.0,34.0 +lb_00099,COc1cc2nc(C)nc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1,C23H26ClFN4O3,460.9,4.5,68.7,1.0,8.0,8.0,32.0 +lb_00100,[2H]C([2H])([2H])Oc1cc2ncnc(Nc3ccc(OC)c(Cl)c3)c2cc1OCCCN1CCOCC1,C23H27ClN4O4,462.0,4.0,78.0,1.0,8.0,9.0,32.0 +lb_00101,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCON1CCOCC1,C21H22ClFN4O4,448.9,3.8,78.0,1.0,9.0,8.0,31.0 +lb_00102,COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OCCCN1CCOCC1,C22H25ClN4O3,428.9,4.0,68.7,1.0,7.0,8.0,30.0 +lb_00103,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CCCC1,C21H22ClFN4O2,416.9,4.6,59.5,1.0,7.0,7.0,29.0 +lb_00104,COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCCN1CCOCC1,C21H22Cl2N4O3,449.3,4.3,68.7,1.0,7.0,7.0,30.0 +lb_00105,COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCN1CCCC1,C21H22ClFN4O2,416.9,4.6,59.5,1.0,7.0,7.0,29.0 +lb_00106,CC.COc1cc2ncnc(Nc3ccc(F)cc3)c2cc1OCCCN1CCOCC1,C24H31FN4O3,442.5,,68.7,1.0,8.0,8.0,32.0 +lb_00107,COc1cc2ncnc(Nc3ccc(F)cc3)c2cc1OCCCN1CCOCC1.Cl,C22H26ClFN4O3,448.9,,68.7,2.0,8.0,8.0,31.0 +lb_00108,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1C[C@@H]2OCCO[C@@H]2C1,C24H26ClFN4O4,488.9,3.9,78.0,1.0,9.0,8.0,34.0 +lb_00109,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CC2OCCOC2C1,C24H26ClFN4O4,488.9,3.9,78.0,1.0,9.0,8.0,34.0 +lb_00110,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1C[C@@H]2OCCO[C@H]2C1,C24H26ClFN4O4,488.9,3.9,78.0,1.0,9.0,8.0,34.0 +lb_00111,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CC2OCCO[C@@H]2C1,C24H26ClFN4O4,488.9,3.9,78.0,1.0,9.0,8.0,34.0 +lb_00112,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CC2OCCO[C@H]2C1,C24H26ClFN4O4,488.9,3.9,78.0,1.0,9.0,8.0,34.0 +lb_00113,[2H]C([2H])([2H])Oc1cc2ncnc(Nc3ccc(Cl)c(F)c3)c2cc1OCCCN1CCOCC1,C22H24ClFN4O3,449.9,4.1,68.7,1.0,8.0,8.0,31.0 +lb_00114,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCO[C@H](CF)C1,C23H25ClF2N4O3,478.9,4.5,68.7,1.0,9.0,9.0,33.0 +lb_00115,CC(C)(OCCO)OCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1,C28H36ClFN4O6,579.1,3.8,107.0,2.0,11.0,15.0,40.0 +lb_00116,CC[C@@H]1CN(CCCOc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CCO1,C24H28ClFN4O3,475.0,5.1,68.7,1.0,8.0,9.0,33.0 +lb_00117,COc1cc2ncnc(Nc3cc(Cl)ccc3F)c2cc1OCCCN1CCOCC1,C22H24ClFN4O3,446.9,4.1,68.7,1.0,8.0,8.0,31.0 +lb_00118,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CC(F)C1,C21H21ClF2N4O2,434.9,4.7,59.5,1.0,8.0,8.0,30.0 +lb_00119,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CC(F)(F)C1,C21H20ClF3N4O2,452.9,4.9,59.5,1.0,9.0,8.0,31.0 +lb_00120,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1=O,C22H22ClFN4O4,460.9,3.6,85.8,1.0,8.0,8.0,32.0 +lb_00121,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOC[C@H]1C,C23H26ClFN4O3,460.9,4.5,68.7,1.0,8.0,8.0,32.0 +lb_00122,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CCCCC1,C22H24ClFN4O2,430.9,5.0,59.5,1.0,7.0,7.0,30.0 +lb_00123,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CCN(C)CC1,C22H25ClFN5O2,445.9,3.9,62.8,1.0,8.0,7.0,31.0 +lb_00124,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CC2(CCO2)C1,C23H24ClFN4O3,458.9,4.1,68.7,1.0,8.0,8.0,32.0 +lb_00125,COC(=O)CN1CCN(CCCOc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CC1,C25H29ClFN5O4,518.0,4.2,89.1,1.0,10.0,11.0,36.0 +lb_00126,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCC(=NO)CC1,C23H25ClFN5O3,473.9,4.2,92.1,2.0,9.0,8.0,33.0 +lb_00127,CON=C1CCN(CCCOc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CC1,C24H27ClFN5O3,488.0,4.5,81.1,1.0,9.0,9.0,34.0 +lb_00128,COc1cc2ncnc(Nc3ccc(P(C)(C)=O)c(Cl)c3)c2cc1OCCCN1CCOCC1,C24H30ClN4O4P,504.9,3.0,85.8,1.0,8.0,9.0,34.0 +lb_00129,[2H]C([2H])([2H])Oc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1C([2H])([2H])COCC1([2H])[2H],C22H24ClFN4O3,453.9,4.1,68.7,1.0,8.0,8.0,31.0 +lb_00130,[2H]C([2H])([2H])Oc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CC([2H])([2H])OC([2H])([2H])C1,C22H24ClFN4O3,453.9,4.1,68.7,1.0,8.0,8.0,31.0 +lb_00131,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1C[C@@H](C)O[C@@H](C)C1,C24H28ClFN4O3,475.0,5.0,68.7,1.0,8.0,8.0,33.0 +lb_00132,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CC[C@@H](F)C1,C22H23ClF2N4O2,448.9,5.0,59.5,1.0,8.0,8.0,31.0 +lb_00133,C=[O+]c1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1,C22H23ClFN4O3+,445.9,5.0,60.5,1.0,7.0,8.0,31.0 +lb_00134,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CC[C@H](F)C1,C22H23ClF2N4O2,448.9,5.0,59.5,1.0,8.0,8.0,31.0 +lb_00135,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCC(F)C1,C22H23ClF2N4O2,448.9,5.0,59.5,1.0,8.0,8.0,31.0 +lb_00136,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCO[C@@H](CO)C1,C23H26ClFN4O4,476.9,3.5,89.0,2.0,9.0,9.0,33.0 +lb_00137,COC[C@@H]1CN(CCCOc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CCO1,C24H28ClFN4O4,491.0,4.0,78.0,1.0,9.0,10.0,34.0 +lb_00138,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCO[C@H](CO)C1,C23H26ClFN4O4,476.9,3.5,89.0,2.0,9.0,9.0,33.0 +lb_00139,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCO[C@H](C(C)C)C1,C25H30ClFN4O3,489.0,5.5,68.7,1.0,8.0,9.0,34.0 +lb_00140,COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCCN1CCOCC1,C22H24ClFN4O3,446.9,4.1,68.7,1.0,8.0,8.0,31.0 +lb_00141,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CC(O)C1,C21H22ClFN4O3,432.9,3.6,79.7,2.0,8.0,8.0,30.0 +lb_00142,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CC(OC)C1,C22H24ClFN4O3,446.9,4.2,68.7,1.0,8.0,9.0,31.0 +lb_00143,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CC2CC2C1,C23H24ClFN4O2,442.9,4.9,59.5,1.0,7.0,8.0,31.0 +lb_00144,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CC2C[C@H]2C1,C23H24ClFN4O2,442.9,4.9,59.5,1.0,7.0,8.0,31.0 +lb_00145,[2H]C([2H])([2H])Oc1ccc(Nc2ncnc3cc(OC([2H])([2H])[2H])c(OCCCN4CCOCC4)cc23)cc1Cl,C23H27ClN4O4,465.0,4.0,78.0,1.0,8.0,9.0,32.0 +lb_00146,[2H]C([2H])([2H])Oc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3)c2cc1OCCCN1CCOCC1,C22H24Cl2N4O3,466.4,4.6,68.7,1.0,7.0,8.0,31.0 +lb_00147,Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(OC4CCOC4)cc23)cc1Cl,C25H28ClFN4O4,503.0,4.2,78.0,1.0,9.0,9.0,35.0 +lb_00148,Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(O[C@H]4CCOC4)cc23)cc1Cl,C25H28ClFN4O4,503.0,4.2,78.0,1.0,9.0,9.0,35.0 +lb_00149,Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(O[C@@H]4CCOC4)cc23)cc1Cl,C25H28ClFN4O4,503.0,4.2,78.0,1.0,9.0,9.0,35.0 +lb_00150,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCC2COCC2C1,C25H28ClFN4O3,487.0,4.8,68.7,1.0,8.0,8.0,34.0 +lb_00151,O=S(=O)(Oc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1)C(F)(F)F,C22H21ClF4N4O5S,564.9,4.9,111.0,1.0,13.0,9.0,37.0 +lb_00152,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOC[C@@H]1O,C22H24ClFN4O4,462.9,3.6,89.0,2.0,9.0,8.0,32.0 +lb_00153,CNP1(=O)CCN(CCCOc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CC1,C23H28ClFN5O3P,507.9,3.2,88.6,2.0,9.0,9.0,34.0 +lb_00154,Fc1ccc(Nc2ncnc3cc(OCCCCN4CCOCC4)c(OC4CCOCC4)cc23)cc1Cl,C27H32ClFN4O4,531.0,4.9,78.0,1.0,9.0,10.0,37.0 +lb_00155,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCCC(C)CC1,C25H30ClFN4O2,473.0,6.1,59.5,1.0,7.0,8.0,33.0 +lb_00156,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1C=COCC1,C22H22ClFN4O3,444.9,4.6,68.7,1.0,8.0,8.0,31.0 +lb_00157,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC(C)CN1CCOCC1,C23H26ClFN4O3,460.9,4.5,68.7,1.0,8.0,8.0,32.0 +lb_00158,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCC(F)(F)C1,C22H22ClF3N4O2,466.9,5.3,59.5,1.0,9.0,8.0,32.0 +lb_00159,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CC2CCC(C1)O2,C24H26ClFN4O3,472.9,4.7,68.7,1.0,8.0,8.0,33.0 +lb_00160,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1C[C@H]2CC[C@@H](C1)O2,C24H26ClFN4O3,472.9,4.7,68.7,1.0,8.0,8.0,33.0 +lb_00161,[2H]C([2H])(Oc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC)C([2H])([2H])C([2H])([2H])N1CCOCC1,C22H24ClFN4O3,452.9,4.1,68.7,1.0,8.0,8.0,31.0 +lb_00162,[2H]c1c([2H])c(Nc2ncnc3cc(OC)c(OCCCN4CCOCC4)cc23)c([2H])c(Cl)c1F,C22H24ClFN4O3,449.9,4.1,68.7,1.0,8.0,8.0,31.0 +lb_00163,COc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1OCCCN1CCOCC1,C29H30ClFN4O4,553.0,5.6,78.0,1.0,9.0,11.0,39.0 +lb_00164,C=C[C@@H]1CN(CCCOc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CCO1,C24H26ClFN4O3,472.9,4.8,68.7,1.0,8.0,9.0,33.0 +lb_00165,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCO[C@H](CN(C)C)C1,C25H31ClFN5O3,504.0,4.2,72.0,1.0,9.0,10.0,35.0 +lb_00166,COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCCN1CCOCC1.Cl,C22H25Cl2FN4O3,483.4,,68.7,2.0,8.0,8.0,32.0 +lb_00167,Fc1ccc(Nc2ncnc3cc(OCCCN4CCCOCC4)c(OC4CCOCC4)cc23)cc1Cl,C27H32ClFN4O4,531.0,4.9,78.0,1.0,9.0,9.0,37.0 +lb_00168,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCC2OCCOC2C1,C25H28ClFN4O4,503.0,4.2,78.0,1.0,9.0,8.0,35.0 +lb_00169,CC[C@@H]1COCCN1CCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC,C24H28ClFN4O3,475.0,5.1,68.7,1.0,8.0,9.0,33.0 +lb_00170,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOC[C@H]1CF,C23H25ClF2N4O3,478.9,4.5,68.7,1.0,9.0,9.0,33.0 +lb_00171,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCP(=O)(N(C)C)CC1,C24H30ClFN5O3P,521.9,3.6,79.8,1.0,9.0,9.0,35.0 +lb_00172,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCC(OC(F)F)CC1,C24H26ClF3N4O3,510.9,5.8,68.7,1.0,10.0,10.0,35.0 +lb_00173,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CCNCC1,C21H23ClFN5O2,431.9,3.5,71.5,2.0,8.0,7.0,30.0 +lb_00174,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCC(N2CCN(C)CC2)CC1,C28H36ClFN6O2,543.1,4.9,66.0,1.0,9.0,9.0,38.0 +lb_00175,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCO[C@@H](CCO)C1,C24H28ClFN4O4,491.0,3.8,89.0,2.0,9.0,10.0,34.0 +lb_00176,CCN(CC)C[C@H]1CN(CCCOc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CCO1,C27H35ClFN5O3,532.0,4.9,72.0,1.0,9.0,12.0,37.0 +lb_00177,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCO[C@H](C(C)O)C1,C24H28ClFN4O4,491.0,3.9,89.0,2.0,9.0,9.0,34.0 +lb_00178,CCN(CC)C[C@@H]1CN(CCCOc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CCO1,C27H35ClFN5O3,532.0,4.9,72.0,1.0,9.0,12.0,37.0 +lb_00179,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCO[C@H](CC(F)(F)F)C1,C24H25ClF4N4O3,528.9,5.6,68.7,1.0,11.0,9.0,36.0 +lb_00180,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC[C@H](O)CN1CCOCC1,C22H24ClFN4O4,462.9,3.1,89.0,2.0,9.0,8.0,32.0 +lb_00181,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC[C@@H](O)CN1CCOCC1,C22H24ClFN4O4,462.9,3.1,89.0,2.0,9.0,8.0,32.0 +lb_00182,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC(O)CN1CCOCC1,C22H24ClFN4O4,462.9,3.1,89.0,2.0,9.0,8.0,32.0 +lb_00183,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC(=O)CN1CCOCC1,C22H22ClFN4O4,460.9,3.5,85.8,1.0,9.0,8.0,32.0 +lb_00184,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CCC2(CC1)COC2,C24H26ClFN4O3,472.9,4.4,68.7,1.0,8.0,7.0,33.0 +lb_00185,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CC2(CCOCC2)C1,C24H26ClFN4O3,472.9,4.4,68.7,1.0,8.0,7.0,33.0 +lb_00186,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC(N)CN1CCOCC1,C22H25ClFN5O3,461.9,2.9,94.8,2.0,9.0,8.0,32.0 +lb_00187,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CC[C@H](OC)C1,C23H26ClFN4O3,460.9,4.5,68.7,1.0,8.0,9.0,32.0 +lb_00188,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CC[C@@H](OC)C1,C23H26ClFN4O3,460.9,4.5,68.7,1.0,8.0,9.0,32.0 +lb_00189,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCC(OC)C1,C23H26ClFN4O3,460.9,4.5,68.7,1.0,8.0,9.0,32.0 +lb_00190,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCC(OC)(OC)C1,C24H28ClFN4O4,491.0,4.3,78.0,1.0,9.0,10.0,34.0 +lb_00191,Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(OC4CCCOC4)cc23)cc1Cl,C26H30ClFN4O4,517.0,4.5,78.0,1.0,9.0,9.0,36.0 +lb_00192,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOC[C@H]1C(C)C,C25H30ClFN4O3,489.0,5.5,68.7,1.0,8.0,9.0,34.0 +lb_00193,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOC[C@@H]1C(C)C,C25H30ClFN4O3,489.0,5.5,68.7,1.0,8.0,9.0,34.0 +lb_00194,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOC[C@H]1CO,C23H26ClFN4O4,476.9,3.5,89.0,2.0,9.0,9.0,33.0 +lb_00195,CNC.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CC2CC2C1,C25H31ClFN5O2,488.0,,71.5,2.0,8.0,8.0,34.0 +lb_00196,COc1cc2nc(C3COC3)nc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1,C25H28ClFN4O4,503.0,3.8,78.0,1.0,9.0,9.0,35.0 +lb_00197,CN1CCN(CCCOc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc2OC2CCOCC2)CC1,C27H33ClFN5O3,530.0,4.7,72.0,1.0,9.0,9.0,37.0 +lb_00198,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CCC2(CCOCC2)C1,C25H28ClFN4O3,487.0,4.7,68.7,1.0,8.0,7.0,34.0 +lb_00199,COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OCCCN1CCOCC1,C22H24ClFN4O3,446.9,4.1,68.7,1.0,8.0,8.0,31.0 +lb_00200,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCC[NH+]1CCOCC1,C22H25ClFN4O3+,447.9,4.1,69.9,2.0,7.0,8.0,31.0 +lb_00201,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCC1CCOCC1,C23H25ClFN3O3,445.9,5.4,65.5,1.0,7.0,8.0,31.0 +lb_00202,CCOC[C@@H]1CN(CCCOc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CCO1,C25H30ClFN4O4,505.0,4.4,78.0,1.0,9.0,11.0,35.0 +lb_00203,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCO[C@H](CC(C)O)C1,C25H30ClFN4O4,505.0,4.3,89.0,2.0,9.0,10.0,35.0 +lb_00204,CCC(COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC)CN1CCOCC1,C24H28ClFN4O3,475.0,4.9,68.7,1.0,8.0,9.0,33.0 +lb_00205,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCC2CCCCC2C1,C27H32ClFN4O2,499.0,6.9,59.5,1.0,7.0,8.0,35.0 +lb_00206,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CCOC(C)C1,C22H24ClFN4O3,446.9,4.2,68.7,1.0,8.0,7.0,31.0 +lb_00207,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CC2OCCN(C)C2C1,C25H29ClFN5O3,502.0,4.1,72.0,1.0,9.0,8.0,35.0 +lb_00208,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CC2OCCN(C)[C@H]2C1,C25H29ClFN5O3,502.0,4.1,72.0,1.0,9.0,8.0,35.0 +lb_00209,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CC2[C@@H](C1)OCCN2C,C25H29ClFN5O3,502.0,4.1,72.0,1.0,9.0,8.0,35.0 +lb_00210,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1C[C@H]2OCCN(C)[C@H]2C1,C25H29ClFN5O3,502.0,4.1,72.0,1.0,9.0,8.0,35.0 +lb_00211,C=C[C@@H]1COCCN1CCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC,C24H26ClFN4O3,472.9,4.8,68.7,1.0,8.0,9.0,33.0 +lb_00212,Fc1ccc(Nc2ncnc3cc(OCCN4CCOCC4)c(OC4CCOCC4)cc23)cc1Cl,C25H28ClFN4O4,503.0,4.2,78.0,1.0,9.0,8.0,35.0 +lb_00213,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1C2CCC1COC2,C24H26ClFN4O3,472.9,4.7,68.7,1.0,8.0,8.0,33.0 +lb_00214,COc1c(OCCCN2CCOCC2)cc2c(Nc3ccc(F)c(Cl)c3)ncnc2c1C,C23H26ClFN4O3,460.9,4.5,68.7,1.0,8.0,8.0,32.0 +lb_00215,CCCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC,C19H19ClFN3O2,375.8,5.3,56.3,1.0,6.0,7.0,26.0 +lb_00216,CCCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC,C19H19ClFN3O2,375.8,5.3,56.3,1.0,6.0,7.0,26.0 +lb_00217,CCN1CCN(CCCOc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc2OC2CCOCC2)CC1,C28H35ClFN5O3,544.1,5.1,72.0,1.0,9.0,10.0,38.0 +lb_00218,COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CC(=O)OC(C)(C)C1,C24H26ClFN4O4,488.9,4.8,85.8,1.0,9.0,8.0,34.0 +lb_00219,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CC(=O)OC(C)(C)C1,C24H26ClFN4O4,488.9,4.8,85.8,1.0,9.0,8.0,34.0 +lb_00220,Fc1ccc(Nc2ncnc3cc(OCCCCN4CCOCC4)c(OC4CCOC4)cc23)cc1Cl,C26H30ClFN4O4,517.0,4.5,78.0,1.0,9.0,10.0,36.0 +lb_00221,Fc1ccc(Nc2ncnc3cc(OCCCCN4CCOCC4)c(O[C@H]4CCOC4)cc23)cc1Cl,C26H30ClFN4O4,517.0,4.5,78.0,1.0,9.0,10.0,36.0 +lb_00222,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCC(N2CCNCC2)CC1,C27H34ClFN6O2,529.0,4.4,74.8,2.0,9.0,9.0,37.0 +lb_00223,COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCCCN1CCOCC1,C23H26ClFN4O3,460.9,4.5,68.7,1.0,8.0,9.0,32.0 +lb_00224,COc1ccc2c(Nc3ccc(F)c(Cl)c3)ncnc2c1OCCCN1CCOCC1,C22H24ClFN4O3,446.9,4.1,68.7,1.0,8.0,8.0,31.0 +lb_00225,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCC[N+]1(C)CCOCC1,C23H27ClFN4O3+,461.9,4.1,65.5,1.0,7.0,8.0,32.0 +lb_00226,COc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1OCCCN1CCOCC1,C22H24ClFN4O3,446.9,4.1,68.7,1.0,8.0,8.0,31.0 +lb_00227,COCCOC[C@@H]1CN(CCCOc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CCO1,C26H32ClFN4O5,535.0,3.9,87.2,1.0,10.0,13.0,37.0 +lb_00228,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCCC(O)C1,C23H26ClFN4O3,460.9,4.4,79.7,2.0,8.0,8.0,32.0 +lb_00229,CO/N=C1\CCN(CCCOc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)C1,C23H25ClFN5O3,473.9,4.6,81.1,1.0,9.0,9.0,33.0 +lb_00230,CO/N=C1/CCN(CCCOc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)C1,C23H25ClFN5O3,473.9,4.6,81.1,1.0,9.0,9.0,33.0 +lb_00231,CCC.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC(O)CN1CCOCC1,C25H32ClFN4O4,507.0,,89.0,2.0,9.0,8.0,35.0 +lb_00232,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCC2CCCOC2C1,C26H30ClFN4O3,501.0,5.3,68.7,1.0,8.0,8.0,35.0 +lb_00233,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOC[C@H]1C(C)(C)O,C25H30ClFN4O4,505.0,4.1,89.0,2.0,9.0,9.0,35.0 +lb_00234,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOC[C@@H]1C(C)(C)O,C25H30ClFN4O4,505.0,4.1,89.0,2.0,9.0,9.0,35.0 +lb_00235,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOC[C@H]1CC(F)(F)F,C24H25ClF4N4O3,528.9,5.6,68.7,1.0,11.0,9.0,36.0 +lb_00236,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOC[C@H]1C(C)O,C24H28ClFN4O4,491.0,3.9,89.0,2.0,9.0,9.0,34.0 +lb_00237,COCCCN1CCC(Oc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CC1,C24H28ClFN4O3,475.0,4.9,68.7,1.0,8.0,9.0,33.0 +lb_00238,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CC2C(C1)C2N(C)C,C25H29ClFN5O2,486.0,4.6,62.8,1.0,8.0,9.0,34.0 +lb_00239,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CC2C(N(C)C)[C@H]2C1,C25H29ClFN5O2,486.0,4.6,62.8,1.0,8.0,9.0,34.0 +lb_00240,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CC(OC(F)F)C1,C22H22ClF3N4O3,482.9,5.1,68.7,1.0,10.0,10.0,33.0 +lb_00241,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1C[C@@H]2C(N(C)C)[C@@H]2C1,C25H29ClFN5O2,486.0,4.6,62.8,1.0,8.0,9.0,34.0 +lb_00242,[2H]C([2H])([2H])Oc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1C([2H])([2H])C([2H])([2H])OC([2H])([2H])C1([2H])[2H],C22H24ClFN4O3,458.0,4.1,68.7,1.0,8.0,8.0,31.0 +lb_00243,[2H]C1OC([2H])C([2H])N(CCCOc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC([2H])([2H])[2H])C1[2H],C22H24ClFN4O3,453.9,4.1,68.7,1.0,8.0,8.0,31.0 +lb_00244,COc1cc2ncnc(Nc3ccccc3Cl)c2cc1OCCCN1CCOCC1,C22H25ClN4O3,428.9,4.0,68.7,1.0,7.0,8.0,30.0 +lb_00245,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CC2CCN(C1)O2,C23H25ClFN5O3,473.9,4.6,72.0,1.0,9.0,8.0,33.0 +lb_00246,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCC1COCCN1N1CCOCC1,C26H31ClFN5O4,532.0,4.4,81.2,1.0,10.0,9.0,37.0 +lb_00247,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN,C18H18ClFN4O2,376.8,3.5,82.3,2.0,7.0,7.0,26.0 +lb_00248,CCCCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC,C20H21ClFN3O2,389.8,5.9,56.3,1.0,6.0,8.0,27.0 +lb_00249,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CC2(COC2)C1,C22H22ClFN4O3,444.9,3.6,68.7,1.0,8.0,7.0,31.0 +lb_00250,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC(=O)N1CCOCC1,C21H20ClFN4O4,446.9,3.2,85.8,1.0,8.0,6.0,31.0 +lb_00251,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCC[N+]1([O-])CCOCC1,C22H24ClFN4O4,462.9,3.6,83.6,1.0,8.0,8.0,32.0 +lb_00252,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCC[N+]1(O)CCOCC1,C22H25ClFN4O4+,463.9,3.6,85.7,2.0,8.0,8.0,32.0 +lb_00253,COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCCCN1CCOCC1.Cl,C23H27Cl2FN4O3,497.4,,68.7,2.0,8.0,9.0,33.0 +lb_00254,CCOC(COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC)CN1CCOCC1,C24H28ClFN4O4,491.0,4.0,78.0,1.0,9.0,10.0,34.0 +lb_00255,CCNC(COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC)CN1CCOCC1,C24H29ClFN5O3,490.0,3.8,80.8,2.0,9.0,10.0,34.0 +lb_00256,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCC2C(CCN2C)C1,C26H31ClFN5O2,500.0,5.1,62.8,1.0,8.0,8.0,35.0 +lb_00257,CO/N=C1\CCCN(CCCOc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)C1,C24H27ClFN5O3,488.0,5.0,81.1,1.0,9.0,9.0,34.0 +lb_00258,CCCCC1CCN(CCCOc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)C1,C26H32ClFN4O2,487.0,6.8,59.5,1.0,7.0,11.0,34.0 +lb_00259,CO/N=C1/CCCN(CCCOc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)C1,C24H27ClFN5O3,488.0,5.0,81.1,1.0,9.0,9.0,34.0 +lb_00260,CCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC,C18H17ClFN3O2,361.8,5.0,56.3,1.0,6.0,6.0,25.0 +lb_00261,COc1cc2ncnc(N(F)c3ccccc3Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1,C28H28ClF2N5O3,556.0,6.2,72.0,1.0,10.0,10.0,39.0 +lb_00262,CCCCNC(COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC)CN1CCOCC1,C26H33ClFN5O3,518.0,4.6,80.8,2.0,9.0,12.0,36.0 +lb_00263,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CC2CCCOC2C1,C25H28ClFN4O3,487.0,4.9,68.7,1.0,8.0,8.0,34.0 +lb_00264,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCC(N2CCN(C(C)(C)C)CC2)CC1,C31H42ClFN6O2,585.2,5.9,66.0,1.0,9.0,10.0,41.0 +lb_00265,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CC(F)C1,C20H19ClF2N4O2,420.8,4.3,59.5,1.0,8.0,7.0,29.0 +lb_00266,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CC(F)(F)C1,C20H18ClF3N4O2,438.8,4.6,59.5,1.0,9.0,7.0,30.0 +lb_00267,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCO[C@H](COC(C)=O)C1,C25H28ClFN4O5,519.0,4.1,95.0,1.0,10.0,11.0,36.0 +lb_00268,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CC2(CCO2)C1,C22H22ClFN4O3,444.9,3.8,68.7,1.0,8.0,7.0,31.0 +lb_00269,CCCCCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC,C21H23ClFN3O2,403.9,6.4,56.3,1.0,6.0,9.0,28.0 +lb_00270,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCN,C19H20ClFN4O2,390.8,3.9,82.3,2.0,7.0,8.0,27.0 +lb_00271,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN.Cl,C18H19Cl2FN4O2,413.3,,82.3,3.0,7.0,7.0,27.0 +lb_00272,Fc1ccc(Nc2ncnc3cc(OCCCN4CCNCC4)c(OC4CCOCC4)cc23)cc1Cl,C26H31ClFN5O3,516.0,4.2,80.8,2.0,9.0,9.0,36.0 +lb_00273,COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CC(=O)OC(C)C1,C23H24ClFN4O4,474.9,4.6,85.8,1.0,9.0,8.0,33.0 +lb_00274,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOC(=O)C1C,C23H24ClFN4O4,474.9,4.6,85.8,1.0,9.0,8.0,33.0 +lb_00275,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CC(=O)OC(C)C1,C23H24ClFN4O4,474.9,4.6,85.8,1.0,9.0,8.0,33.0 +lb_00276,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC(CN1CCOCC1)OC(C)(C)C,C26H32ClFN4O4,519.0,4.7,78.0,1.0,9.0,10.0,36.0 +lb_00277,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CC(=O)O[C@@H](C)C1,C23H24ClFN4O4,474.9,4.6,85.8,1.0,9.0,8.0,33.0 +lb_00278,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CC(=O)O[C@H](C)C1,C23H24ClFN4O4,474.9,4.6,85.8,1.0,9.0,8.0,33.0 +lb_00279,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CC[C@H](OC(F)F)C1,C23H24ClF3N4O3,496.9,5.5,68.7,1.0,10.0,10.0,34.0 +lb_00280,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CC[C@@H](OC(F)F)C1,C23H24ClF3N4O3,496.9,5.5,68.7,1.0,10.0,10.0,34.0 +lb_00281,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCN(C=N)C(=N)C1,C23H25ClFN7O2,485.9,3.8,110.0,3.0,9.0,9.0,34.0 +lb_00282,[2H]C([2H])([2H])Oc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OCCCN1CCOCC1,C22H25ClN4O3,431.9,4.0,68.7,1.0,7.0,8.0,30.0 +lb_00283,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC[18F],C17H14ClF2N3O2,364.8,4.4,56.3,1.0,7.0,6.0,25.0 +lb_00284,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN,C17H16ClFN4O2,362.8,3.1,82.3,2.0,7.0,6.0,25.0 +lb_00285,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCF,C17H14ClF2N3O2,365.8,4.4,56.3,1.0,7.0,6.0,25.0 +lb_00286,CCCC.CCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC,C22H27ClFN3O2,419.9,,56.3,1.0,6.0,7.0,29.0 +lb_00287,Fc1ccc(Nc2ncnc3cc(OCCN4CCOCC4)c(OC4CCOC4)cc23)cc1Cl,C24H26ClFN4O4,488.9,3.8,78.0,1.0,9.0,8.0,34.0 +lb_00288,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CC=C(C#N)C1,C23H21ClFN5O2,453.9,4.1,83.3,1.0,8.0,8.0,32.0 +lb_00289,Fc1ccc(Nc2ncnc3cc(OCCN4CCOCC4)c(O[C@H]4CCOC4)cc23)cc1Cl,C24H26ClFN4O4,488.9,3.8,78.0,1.0,9.0,8.0,34.0 +lb_00290,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CCC2(COC2)C1,C23H24ClFN4O3,458.9,4.0,68.7,1.0,8.0,7.0,32.0 +lb_00291,COc1cc2c(cc1OCCCN1CCOCC1)c(Nc1ccc(F)c(Cl)c1)nc[n+]2C(C)C,C25H31ClFN4O3+,490.0,4.9,59.7,1.0,7.0,9.0,34.0 +lb_00292,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CC(OC)C2(CC2)C1,C25H28ClFN4O3,487.0,4.8,68.7,1.0,8.0,9.0,34.0 +lb_00293,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CC2NCCOC2C1,C24H27ClFN5O3,488.0,3.6,80.8,2.0,9.0,8.0,34.0 +lb_00294,COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCN1CCOCC1,C21H22ClFN4O3,432.9,3.8,68.7,1.0,8.0,7.0,30.0 +lb_00295,COc1ccc(Cl)c(Nc2ncnc3cc(OCCCN4CCOCC4)c(OC)cc23)c1,C23H27ClN4O4,458.9,4.0,78.0,1.0,8.0,9.0,32.0 +lb_00296,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CC(O)C1,C20H20ClFN4O3,418.8,3.3,79.7,2.0,8.0,7.0,29.0 +lb_00297,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CC(OC)C1,C21H22ClFN4O3,432.9,3.8,68.7,1.0,8.0,8.0,30.0 +lb_00298,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCON1CCN(C)CC1,C22H25ClFN5O3,461.9,4.0,72.0,1.0,9.0,8.0,32.0 +lb_00299,CCC1CCCN1CCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC,C24H28ClFN4O2,459.0,5.9,59.5,1.0,7.0,9.0,32.0 +lb_00300,CC[C@@H]1CCCN1CCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC,C24H28ClFN4O2,459.0,5.9,59.5,1.0,7.0,9.0,32.0 +lb_00301,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CCC2(CCOC2)C1,C24H26ClFN4O3,472.9,4.4,68.7,1.0,8.0,7.0,33.0 +lb_00302,CNCCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC,C19H20ClFN4O2,390.8,4.0,68.3,2.0,7.0,8.0,27.0 +lb_00303,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCNF,C18H17ClF2N4O2,394.8,4.1,68.3,2.0,8.0,8.0,27.0 +lb_00304,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCC[NH3+].[Cl-],C18H19Cl2FN4O2,413.3,,83.9,2.0,7.0,7.0,27.0 +lb_00305,CCC(Oc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC)N1CCOCC1,C22H24ClFN4O3,446.9,4.8,68.7,1.0,8.0,7.0,31.0 +lb_00306,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1C2CCC1COC2,C23H24ClFN4O3,458.9,4.4,68.7,1.0,8.0,7.0,32.0 +lb_00307,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CC2CCC(C1)O2,C23H24ClFN4O3,458.9,4.4,68.7,1.0,8.0,7.0,32.0 +lb_00308,COc1cc2ncncc2c(Nc2ccc(F)c(Cl)c2)c1OCCCN1CCOCC1,C22H24ClFN4O3,446.9,3.8,68.7,1.0,8.0,8.0,31.0 +lb_00309,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CCC2(CC2)C1,C23H24ClFN4O2,442.9,4.9,59.5,1.0,7.0,7.0,31.0 +lb_00310,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1C[C@H]2CC[C@@H](C1)O2,C23H24ClFN4O3,458.9,4.4,68.7,1.0,8.0,7.0,32.0 +lb_00311,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1C[C@@H]2C[C@]2(O)C1,C23H24ClFN4O3,458.9,3.8,79.7,2.0,8.0,8.0,32.0 +lb_00312,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CC2CC2(O)C1,C23H24ClFN4O3,458.9,3.8,79.7,2.0,8.0,8.0,32.0 +lb_00313,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1C[C@@H]2CC2(O)C1,C23H24ClFN4O3,458.9,3.8,79.7,2.0,8.0,8.0,32.0 +lb_00314,CCC(=O)OC[C@@H]1CN(CCCOc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CCO1,C26H30ClFN4O5,533.0,4.5,95.0,1.0,10.0,12.0,37.0 +lb_00315,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCO[C@H](COC(=O)C(C)C)C1,C27H32ClFN4O5,547.0,5.1,95.0,1.0,10.0,12.0,38.0 +lb_00316,C=C(C)OCCC(C)(C)OCCOC(C)(C)OCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1,C36H50ClFN4O7,705.3,6.3,106.0,1.0,12.0,21.0,49.0 +lb_00317,COc1cc2nc(Nc3ccc(F)c(Cl)c3)ncc2cc1OCCCN1CCOCC1,C22H24ClFN4O3,446.9,4.1,68.7,1.0,8.0,8.0,31.0 +lb_00318,COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCN1CCOCC1.Cl,C21H23Cl2FN4O3,469.3,,68.7,2.0,8.0,7.0,31.0 +lb_00319,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CCC2(CCN(C)C2)C1,C25H29ClFN5O2,486.0,4.5,62.8,1.0,8.0,7.0,34.0 +lb_00320,CC[C@@H]1CCCCN1CCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC,C25H30ClFN4O2,473.0,6.3,59.5,1.0,7.0,9.0,33.0 +lb_00321,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCCC[C@H]1C1CC1,C26H30ClFN4O2,485.0,6.1,59.5,1.0,7.0,9.0,34.0 +lb_00322,[2H]C([2H])([2H])Oc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC([2H])([2H])C([2H])([2H])C([2H])([2H])N1CCOCC1,C22H24ClFN4O3,456.0,4.1,68.7,1.0,8.0,8.0,31.0 +lb_00323,[2H]c1c([2H])c(Nc2ncnc3cc(OC([2H])([2H])[2H])c(OCCCN4CCOCC4)cc23)c([2H])c(Cl)c1F,C22H24ClFN4O3,452.9,4.1,68.7,1.0,8.0,8.0,31.0 +lb_00324,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCC2CCNCC2C1,C26H31ClFN5O2,500.0,4.8,71.5,2.0,8.0,8.0,35.0 +lb_00325,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCCC2OCCCC21,C26H30ClFN4O3,501.0,5.4,68.7,1.0,8.0,8.0,35.0 +lb_00326,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCN(CC(F)(F)F)C(=N)C1,C24H25ClF4N6O2,540.9,5.0,86.6,2.0,11.0,9.0,37.0 +lb_00327,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN(C)C,C20H22ClFN4O2,404.9,4.5,59.5,1.0,7.0,8.0,28.0 +lb_00328,COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN(C)C,C20H22ClFN4O2,404.9,4.5,59.5,1.0,7.0,8.0,28.0 +lb_00329,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCC(C)(C)C,C22H25ClFN3O2,417.9,6.5,56.3,1.0,6.0,8.0,29.0 +lb_00330,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCC(C)C,C21H23ClFN3O2,403.9,6.1,56.3,1.0,6.0,8.0,28.0 +lb_00331,CC.CNCCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC,C21H26ClFN4O2,420.9,,68.3,2.0,7.0,8.0,29.0 +lb_00332,COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCOCCN1CCOCC1,C23H26ClFN4O4,476.9,3.6,78.0,1.0,9.0,10.0,33.0 +lb_00333,[2H]c1nc(Nc2ccc(F)c(Cl)c2)c2c([2H])c(OCCCN3CCOCC3)c(OC)c([2H])c2n1,C22H24ClFN4O3,449.9,4.1,68.7,1.0,8.0,8.0,31.0 +lb_00334,CCC1COCC(C)N1CCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC,C25H30ClFN4O3,489.0,5.5,68.7,1.0,8.0,9.0,34.0 +lb_00335,[2H]C([2H])([2H])Oc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1OCCCN1CCOCC1,C29H30ClFN4O4,556.0,5.6,78.0,1.0,9.0,11.0,39.0 +lb_00336,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCO[C@H](COC(=O)C(C)(C)C)C1,C28H34ClFN4O5,561.0,5.5,95.0,1.0,10.0,12.0,39.0 +lb_00337,CNCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC,C18H18ClFN4O2,376.8,3.7,68.3,2.0,7.0,7.0,26.0 +lb_00338,COc1cc2ncnc(N(C)c3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1,C23H26ClFN4O3,460.9,4.2,60.0,0.0,8.0,8.0,32.0 +lb_00339,COc1cc2ncnc([NH+]([O-])c3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1,C22H24ClFN4O4,462.9,3.7,78.2,1.0,8.0,8.0,32.0 +lb_00340,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCCC[C@H]1CO,C24H28ClFN4O3,475.0,4.7,79.7,2.0,8.0,9.0,33.0 +lb_00341,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CC2COC1C2,C23H24ClFN4O3,458.9,4.7,68.7,1.0,8.0,8.0,32.0 +lb_00342,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCC[C@H]1C(C)C,C25H30ClFN4O2,473.0,6.4,59.5,1.0,7.0,9.0,33.0 +lb_00343,COCC1CN(CCCOc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CC(=O)O1,C24H26ClFN4O5,504.9,4.1,95.0,1.0,10.0,10.0,35.0 +lb_00344,COCC1CN(CCCOc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc2OC)CC(=O)O1,C24H26ClFN4O5,504.9,4.1,95.0,1.0,10.0,10.0,35.0 +lb_00345,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCC(OCCN(C)C)C1,C26H33ClFN5O3,518.0,4.6,72.0,1.0,9.0,12.0,36.0 +lb_00346,CCN(CC)CCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC,C22H26ClFN4O2,432.9,5.2,59.5,1.0,7.0,10.0,30.0 +lb_00347,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCNCCN,C19H21ClFN5O2,405.9,2.7,94.3,3.0,8.0,9.0,28.0 +lb_00348,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCNCCN,C20H23ClFN5O2,419.9,3.1,94.3,3.0,8.0,10.0,29.0 +lb_00349,COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCCN(C)C,C21H24ClFN4O2,418.9,4.8,59.5,1.0,7.0,9.0,29.0 +lb_00350,CCCN(CCC)CCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC,C24H30ClFN4O2,461.0,6.3,59.5,1.0,7.0,12.0,32.0 +lb_00351,CCNCCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC,C20H22ClFN4O2,404.9,4.4,68.3,2.0,7.0,9.0,28.0 +lb_00352,CCCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC.CCN(C)C,C23H30ClFN4O2,449.0,,59.5,1.0,7.0,8.0,31.0 +lb_00353,COc1cc2ncnc(N(c3ccc(F)c(Cl)c3)C(C)(C)C)c2cc1OCCCN1CCOCC1,C26H32ClFN4O3,503.0,5.2,60.0,0.0,8.0,9.0,35.0 +lb_00354,COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCOCCN1CCOCC1.Cl,C23H27Cl2FN4O4,513.4,,78.0,2.0,9.0,10.0,34.0 +lb_00355,[2H]C1([2H])COCC([2H])([2H])N1C([2H])([2H])C([2H])([2H])C([2H])([2H])Oc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC,C22H24ClFN4O3,457.0,4.1,68.7,1.0,8.0,8.0,31.0 +lb_00356,COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCCN1CC(=O)OC(C)C1,C24H26ClFN4O4,488.9,5.0,85.8,1.0,9.0,9.0,34.0 +lb_00357,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCN1CC(=O)OC(C)C1,C24H26ClFN4O4,488.9,5.0,85.8,1.0,9.0,9.0,34.0 +lb_00358,CCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC,C17H15ClFN3O2,347.8,4.5,56.3,1.0,6.0,5.0,24.0 +lb_00359,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN(C)C,C19H20ClFN4O2,390.8,4.1,59.5,1.0,7.0,7.0,27.0 +lb_00360,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCC(C)C,C20H21ClFN3O2,389.8,5.8,56.3,1.0,6.0,7.0,27.0 +lb_00361,CCOc1ccc(Cl)c(Nc2ncnc3cc(OCCCN4CCOCC4)c(OC)cc23)c1,C24H29ClN4O4,473.0,4.3,78.0,1.0,8.0,10.0,33.0 +lb_00362,COc1cc2ncnc(N(c3ccc(F)c(Cl)c3)[Si](C)(C)C)c2cc1OCCCN1CCOCC1,C25H32ClFN4O3Si,519.1,,60.0,0.0,8.0,9.0,35.0 +lb_00363,COCCN1CCC(Oc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CC1,C23H26ClFN4O3,460.9,4.5,68.7,1.0,8.0,8.0,32.0 +lb_00364,COc1cc2ncnc(N(N)c3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1,C22H25ClFN5O3,461.9,3.5,86.0,1.0,9.0,8.0,32.0 +lb_00365,COc1cc2ncnc(N(O)c3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1,C22H24ClFN4O4,462.9,3.8,80.2,1.0,9.0,8.0,32.0 +lb_00366,COc1cc2ncnc(N([O-])c3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1,C22H23ClFN4O4-,461.9,3.7,83.0,0.0,9.0,8.0,32.0 +lb_00367,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CC(=O)OC(C)(C)C1,C23H24ClFN4O4,474.9,4.4,85.8,1.0,9.0,7.0,33.0 +lb_00368,COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCN1CC(=O)OC(C)(C)C1,C23H24ClFN4O4,474.9,4.4,85.8,1.0,9.0,7.0,33.0 +lb_00369,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CCOC(=O)C1C,C22H22ClFN4O4,460.9,4.2,85.8,1.0,9.0,7.0,32.0 +lb_00370,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCC2CN(C)CCC21,C26H31ClFN5O2,500.0,5.1,62.8,1.0,8.0,8.0,35.0 +lb_00371,C=C[C@@H]1CCCN1CCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC,C24H26ClFN4O2,456.9,5.6,59.5,1.0,7.0,9.0,32.0 +lb_00372,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CC2CC1CO2,C23H24ClFN4O3,458.9,4.4,68.7,1.0,8.0,8.0,32.0 +lb_00373,COCCC1CN(CCCOc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CC(=O)O1,C25H28ClFN4O5,519.0,4.5,95.0,1.0,10.0,11.0,36.0 +lb_00374,COCCC1CN(CCCOc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc2OC)CC(=O)O1,C25H28ClFN4O5,519.0,4.5,95.0,1.0,10.0,11.0,36.0 +lb_00375,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CC[N+](=C(C)N)C(=N)C1,C24H28ClFN7O2+,501.0,3.0,112.0,3.0,8.0,8.0,35.0 +lb_00376,C=N.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCN(CC(F)(F)F)C(=N)C1,C25H28ClF4N7O2,570.0,,110.0,3.0,12.0,9.0,39.0 +lb_00377,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(CCCNC(=O)N2CCOCC2)CC1,C28H34ClFN6O4,573.1,4.0,101.0,2.0,9.0,9.0,40.0 +lb_00378,C=CCCCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC,C21H21ClFN3O2,401.9,5.9,56.3,1.0,6.0,9.0,28.0 +lb_00379,CCCN(c1ccc(F)c(Cl)c1)c1ncnc2cc(OC)c(OCCCN3CCOCC3)cc12,C25H30ClFN4O3,489.0,5.1,60.0,0.0,8.0,10.0,34.0 +lb_00380,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCOCC1,C20H19ClFN3O3,403.8,4.5,65.5,1.0,7.0,5.0,28.0 +lb_00381,CCCN1CCC(Oc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CC1,C23H26ClFN4O2,444.9,5.6,59.5,1.0,7.0,7.0,31.0 +lb_00382,CCN1CCOC(COc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc2OC)C1,C22H24ClFN4O3,446.9,4.2,68.7,1.0,8.0,7.0,31.0 +lb_00383,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCC(N(C)CN2CCOCC2)CC1,C27H33ClFN5O3,530.0,5.2,72.0,1.0,9.0,8.0,37.0 +lb_00384,CCN1CCOC(COc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)C1,C22H24ClFN4O3,446.9,4.2,68.7,1.0,8.0,7.0,31.0 +lb_00385,C=CC1CN(CCCOc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CC1OCCC,C27H32ClFN4O3,515.0,6.0,68.7,1.0,8.0,12.0,36.0 +lb_00386,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCNC(C)C,C21H24ClFN4O2,418.9,4.8,68.3,2.0,7.0,9.0,29.0 +lb_00387,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCC1COCCN1,C22H24ClFN4O3,446.9,4.1,77.5,2.0,8.0,8.0,31.0 +lb_00388,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CC2CC1N(C)C2,C24H27ClFN5O2,472.0,4.8,62.8,1.0,8.0,8.0,33.0 +lb_00389,CNCCCN1CCC(Oc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CC1,C24H29ClFN5O2,474.0,4.6,71.5,2.0,8.0,9.0,33.0 +lb_00390,COc1cc2ncnc(N(N=O)c3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1,C22H23ClFN5O4,475.9,4.0,89.4,0.0,10.0,8.0,33.0 +lb_00391,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCNCCN.Cl,C19H22Cl2FN5O2,442.3,,94.3,4.0,8.0,9.0,29.0 +lb_00392,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCNCCN.Cl,C20H24Cl2FN5O2,456.3,,94.3,4.0,8.0,10.0,30.0 +lb_00393,CN=C1CCN(CCCOc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)C/C1=C(\C)N,C26H30ClFN6O2,513.0,3.9,97.9,2.0,9.0,8.0,36.0 +lb_00394,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CC(=O)OCC1(C)C,C24H26ClFN4O4,488.9,4.8,85.8,1.0,9.0,8.0,34.0 +lb_00395,C=C[C@@H]1CCCCN1CCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC,C25H28ClFN4O2,471.0,6.0,59.5,1.0,7.0,9.0,33.0 +lb_00396,CCC1CCCN(CCCOc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)C1C,C26H32ClFN4O2,487.0,6.6,59.5,1.0,7.0,9.0,34.0 +lb_00397,COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCC1CN(C)CCO1,C21H22ClFN4O3,432.9,3.8,68.7,1.0,8.0,6.0,30.0 +lb_00398,COc1cc2ncnc(N(CCCN3CCOCC3)c3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1,C29H37ClFN5O4,574.1,4.3,72.4,0.0,10.0,12.0,40.0 +lb_00399,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC1CN(C)CCO1,C21H22ClFN4O3,432.9,3.8,68.7,1.0,8.0,6.0,30.0 +lb_00400,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC[C@@H]1CN(C)CCO1,C21H22ClFN4O3,432.9,3.8,68.7,1.0,8.0,6.0,30.0 +lb_00401,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC[C@H]1CN(C)CCO1,C21H22ClFN4O3,432.9,3.8,68.7,1.0,8.0,6.0,30.0 +lb_00402,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC1CCN(C)CC1,C22H24ClFN4O2,430.9,4.9,59.5,1.0,7.0,6.0,30.0 +lb_00403,COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCC1CCN(C)CC1,C22H24ClFN4O2,430.9,4.9,59.5,1.0,7.0,6.0,30.0 +lb_00404,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC[C@H]1CCN1C,C20H20ClFN4O2,402.8,4.3,59.5,1.0,7.0,6.0,28.0 +lb_00405,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC[C@@H]1CCN1C,C20H20ClFN4O2,402.8,4.3,59.5,1.0,7.0,6.0,28.0 +lb_00406,COc1cc2c(Nc3ccc([18F])c(Cl)c3)ncnc2cc1OCC1CCN(C)CC1,C22H24ClFN4O2,429.9,4.9,59.5,1.0,7.0,6.0,30.0 +lb_00407,COCCNCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC,C20H22ClFN4O3,420.9,3.5,77.5,2.0,8.0,10.0,29.0 +lb_00408,CCOCCOCCOCCOCCOCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC,C27H35ClFN3O7,568.0,3.7,102.0,1.0,11.0,20.0,39.0 +lb_00409,CCNCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC,C19H20ClFN4O2,390.8,4.0,68.3,2.0,7.0,8.0,27.0 +lb_00410,CCCNCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC,C20H22ClFN4O2,404.9,4.6,68.3,2.0,7.0,9.0,28.0 +lb_00411,COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCOCCN,C19H20ClFN4O3,406.8,3.0,91.5,2.0,8.0,9.0,28.0 +lb_00412,COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCOCN,C18H18ClFN4O3,392.8,3.1,91.5,2.0,8.0,8.0,27.0 +lb_00413,CC.CCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC,C19H21ClFN3O2,377.8,,56.3,1.0,6.0,5.0,26.0 +lb_00414,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(CCN)CC1,C22H25ClFN5O2,445.9,3.7,85.5,2.0,8.0,7.0,31.0 +lb_00415,[2H]C([2H])(Oc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC)C([2H])([2H])N1C([2H])([2H])C([2H])([2H])OC([2H])([2H])C1([2H])[2H],C21H22ClFN4O3,444.9,3.8,68.7,1.0,8.0,7.0,30.0 +lb_00416,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCNCCO,C20H22ClFN4O3,420.9,3.3,88.5,3.0,8.0,10.0,29.0 +lb_00417,CCCN(C)CCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC,C22H26ClFN4O2,432.9,5.4,59.5,1.0,7.0,10.0,30.0 +lb_00418,[CH2-]CN(C[CH2-])CCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC.[U+2],C22H24ClFN4O2U,668.9,,59.5,1.0,9.0,8.0,31.0 +lb_00419,[CH2-]CN(C[CH2-])CCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC.[V+2],C22H24ClFN4O2V,481.8,,59.5,1.0,9.0,8.0,31.0 +lb_00420,[CH2-]CN(C[CH2-])CCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC.[Y],C22H24ClFN4O2Y-2,519.8,,59.5,1.0,9.0,8.0,31.0 +lb_00421,COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCOC,C20H21ClFN3O4,421.8,3.8,74.7,1.0,8.0,10.0,29.0 +lb_00422,COCCOc1cc2ncnc(Nc3ccc([18F])c(Cl)c3)c2cc1OCCOC,C20H21ClFN3O4,420.9,3.8,74.7,1.0,8.0,10.0,29.0 +lb_00423,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCCC[C@H]1C(C)(C)O,C26H32ClFN4O3,503.0,5.3,79.7,2.0,8.0,9.0,35.0 +lb_00424,[2H]c1c([2H])c(Nc2ncnc3cc(OC)c(OCCCN4C([2H])([2H])COCC4([2H])[2H])cc23)c([2H])c(Cl)c1F,C22H24ClFN4O3,453.9,4.1,68.7,1.0,8.0,8.0,31.0 +lb_00425,[2H]c1c([2H])c(Nc2ncnc3cc(OC)c(OCCCN4CC([2H])([2H])OC([2H])([2H])C4)cc23)c([2H])c(Cl)c1F,C22H24ClFN4O3,453.9,4.1,68.7,1.0,8.0,8.0,31.0 +lb_00426,[2H]C1([2H])CN(C([2H])([2H])C([2H])([2H])C([2H])([2H])Oc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CC([2H])([2H])O1,C22H24ClFN4O3,457.0,4.1,68.7,1.0,8.0,8.0,31.0 +lb_00427,COCCN(CCOC)CCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC,C23H28ClFN4O4,478.9,3.8,78.0,1.0,9.0,13.0,33.0 +lb_00428,CCN(CC)CCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC,C21H24ClFN4O2,418.9,4.9,59.5,1.0,7.0,9.0,29.0 +lb_00429,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCNC(C)C,C20H22ClFN4O2,404.9,4.5,68.3,2.0,7.0,8.0,28.0 +lb_00430,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCNC(C)(C)C,C21H24ClFN4O2,418.9,4.6,68.3,2.0,7.0,8.0,29.0 +lb_00431,COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCCN1CCCCC1,C22H24Cl2N4O2,447.4,5.5,59.5,1.0,6.0,7.0,30.0 +lb_00432,CCN(CC)CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC,C21H24ClFN4O2,418.9,4.9,59.5,1.0,7.0,9.0,29.0 +lb_00433,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCNc1ccccc1,C23H20ClFN4O2,438.9,5.8,68.3,2.0,7.0,8.0,31.0 +lb_00434,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CC(=O)O[C@@H](C)C1,C22H22ClFN4O4,460.9,4.3,85.8,1.0,9.0,7.0,32.0 +lb_00435,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CC(=O)OC(C)C1,C22H22ClFN4O4,460.9,4.3,85.8,1.0,9.0,7.0,32.0 +lb_00436,COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCN1CC(=O)OC(C)C1,C22H22ClFN4O4,460.9,4.3,85.8,1.0,9.0,7.0,32.0 +lb_00437,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CC(=O)O[C@H](C)C1,C22H22ClFN4O4,460.9,4.3,85.8,1.0,9.0,7.0,32.0 +lb_00438,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CC2CNC1C2,C23H25ClFN5O2,457.9,4.4,71.5,2.0,8.0,8.0,32.0 +lb_00439,CC.CCCCCCCC.COc1cc2ncnc(N(C)c3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1,C33H50ClFN4O3,605.2,,60.0,0.0,8.0,13.0,42.0 +lb_00440,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(CCO)CC1,C22H24ClFN4O3,446.9,4.0,79.7,2.0,8.0,7.0,31.0 +lb_00441,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(CCN)CC1.Cl.Cl,C22H27Cl3FN5O2,518.8,,85.5,4.0,8.0,7.0,33.0 +lb_00442,C=C=CCCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC,C21H19ClFN3O2,399.8,5.2,56.3,1.0,6.0,8.0,28.0 +lb_00443,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCC1CNCCO1,C22H24ClFN4O3,446.9,4.1,77.5,2.0,8.0,8.0,31.0 +lb_00444,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CC(OC)C2(CC2)C1,C24H26ClFN4O3,472.9,4.4,68.7,1.0,8.0,8.0,33.0 +lb_00445,[2H]C([2H])([2H])Oc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCC[N+]1([O-])CCOCC1,C22H24ClFN4O4,465.9,3.6,83.6,1.0,8.0,8.0,32.0 +lb_00446,COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCOCC1,C22H23ClFN3O4,447.9,4.3,74.7,1.0,8.0,8.0,31.0 +lb_00447,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCC1CCNCC1,C23H26ClFN4O2,444.9,5.1,68.3,2.0,7.0,8.0,31.0 +lb_00448,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCN1C2CCC1COC2,C22H22ClFN4O3,444.9,4.5,68.7,1.0,8.0,6.0,31.0 +lb_00449,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCN1CC2CCC(C1)O2,C22H22ClFN4O3,444.9,4.5,68.7,1.0,8.0,6.0,31.0 +lb_00450,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCNc1cc[n+](C)cc1,C23H22ClFN5O2+,454.9,4.8,72.2,2.0,7.0,8.0,32.0 +lb_00451,CNCCOCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC,C20H22ClFN4O3,420.9,3.5,77.5,2.0,8.0,10.0,29.0 +lb_00452,CCC(C)CCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC,C21H23ClFN3O2,403.9,6.3,56.3,1.0,6.0,8.0,28.0 +lb_00453,CCN(CC)CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC.Cl,C21H25Cl2FN4O2,455.3,,59.5,2.0,7.0,9.0,30.0 +lb_00454,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC(C)C,C19H19ClFN3O2,375.8,5.4,56.3,1.0,6.0,6.0,26.0 +lb_00455,COC(=O)CN1CCC(CCCOc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CC1,C26H30ClFN4O4,517.0,5.5,85.8,1.0,9.0,11.0,36.0 +lb_00456,CCCN(CCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC)C1CCN(CC)CC1,C28H37ClFN5O2,530.1,6.3,62.8,1.0,8.0,12.0,37.0 +lb_00457,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCC1CCCCN1,C23H26ClFN4O2,444.9,5.3,68.3,2.0,7.0,8.0,31.0 +lb_00458,COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(CCOC)CC1,C25H30ClFN4O4,505.0,4.4,78.0,1.0,9.0,11.0,35.0 +lb_00459,[2H]C1OC([2H])C([2H])N(CCCOc2cc3c(Nc4ccc(OC)c(Cl)c4)ncnc3cc2OC([2H])([2H])[2H])C1[2H],C23H27ClN4O4,466.0,4.0,78.0,1.0,8.0,9.0,32.0 +lb_00460,[2H]C([2H])([2H])Oc1cc2ncnc(Nc3ccc(OC)c(Cl)c3)c2cc1OCCCN1C([2H])([2H])C([2H])([2H])OC([2H])([2H])C1([2H])[2H],C23H27ClN4O4,470.0,4.0,78.0,1.0,8.0,9.0,32.0 +lb_00461,COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCCN1CCN(C)CC1,C23H27ClFN5O2,459.9,4.3,62.8,1.0,8.0,8.0,32.0 +lb_00462,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC(C)N1CCCCC1,C23H26ClFN4O2,444.9,5.4,59.5,1.0,7.0,7.0,31.0 +lb_00463,CCN(CCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC)CCOC,C23H28ClFN4O3,462.9,4.7,68.7,1.0,8.0,12.0,32.0 +lb_00464,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN(CO)CCCO,C22H26ClFN4O4,464.9,3.6,100.0,3.0,9.0,12.0,32.0 +lb_00465,COc1ccc(Cl)c(Nc2ncnc3cc(OCCN4CCOCC4)c(OC)cc23)c1,C22H25ClN4O4,444.9,3.6,78.0,1.0,8.0,8.0,31.0 +lb_00466,CCC(O)(CC)[C@@H]1CCCCN1CCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC,C28H36ClFN4O3,531.1,6.4,79.7,2.0,8.0,11.0,37.0 +lb_00467,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(C(=O)N2CCOCC2)CC1,C25H27ClFN5O4,516.0,3.8,89.1,1.0,8.0,5.0,36.0 +lb_00468,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(S(=O)(=O)N2CCOCC2)CC1,C24H27ClFN5O5S,552.0,3.5,115.0,1.0,11.0,7.0,37.0 +lb_00469,COc1cc2ncnc(N(C(C)=O)c3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1,C24H26ClFN4O4,488.9,3.5,77.0,0.0,8.0,8.0,34.0 +lb_00470,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1C[C@H]2C[C@@H]1CO2,C22H22ClFN4O3,444.9,4.0,68.7,1.0,8.0,7.0,31.0 +lb_00471,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1C[C@@H]2C[C@H]1CO2,C22H22ClFN4O3,444.9,4.0,68.7,1.0,8.0,7.0,31.0 +lb_00472,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CC2CC1CO2,C22H22ClFN4O3,444.9,4.0,68.7,1.0,8.0,7.0,31.0 +lb_00473,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCC1CNCCO1.Cl,C22H25Cl2FN4O3,483.4,,77.5,3.0,8.0,8.0,32.0 +lb_00474,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC(=O)N1CCN(C)CC1,C22H23ClFN5O3,459.9,3.4,79.8,1.0,8.0,6.0,32.0 +lb_00475,[2H]C1([2H])OC([2H])([2H])C([2H])([2H])N(CCCOc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2O)C1([2H])[2H],C21H22ClFN4O3,440.9,3.8,79.7,2.0,8.0,7.0,30.0 +lb_00476,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(C)CC1,C21H22ClFN4O2,416.9,4.7,59.5,1.0,7.0,5.0,29.0 +lb_00477,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN(CCO)CCO,C21H24ClFN4O4,450.9,2.8,100.0,3.0,9.0,11.0,31.0 +lb_00478,Fc1ccc(Nc2ncnc3cc(OCCCCl)c(OCCCN4C=COC=C4)cc23)cc1Cl,C24H23Cl2FN4O3,505.4,5.5,68.7,1.0,8.0,11.0,34.0 +lb_00479,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC1CN(Cc2ccccc2)CCO1,C27H26ClFN4O3,509.0,5.3,68.7,1.0,8.0,8.0,36.0 +lb_00480,C=CCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC,C18H15ClFN3O2,359.8,4.7,56.3,1.0,6.0,6.0,25.0 +lb_00481,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCc1ccccc1,C22H17ClFN3O2,409.8,5.6,56.3,1.0,6.0,6.0,29.0 +lb_00482,COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCc1ccccc1,C22H17ClFN3O2,409.8,5.6,56.3,1.0,6.0,6.0,29.0 +lb_00483,COc1cc2ncnc(Nc3cc(Cl)ccc3F)c2cc1OCCCN1CC2(CCOCC2)C1,C25H28ClFN4O3,487.0,4.7,68.7,1.0,8.0,8.0,34.0 +lb_00484,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCON1CCC(N(C)C)CC1,C24H29ClFN5O3,490.0,4.8,72.0,1.0,9.0,9.0,34.0 +lb_00485,[2H]C1([2H])OC([2H])([2H])C([2H])([2H])N(C([2H])([2H])C([2H])([2H])C([2H])([2H])Oc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)C1([2H])[2H],C22H24ClFN4O3,461.0,4.1,68.7,1.0,8.0,8.0,31.0 +lb_00486,COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCCN1CCN(C)CC1.Cl,C23H28Cl2FN5O2,496.4,,62.8,2.0,8.0,8.0,33.0 +lb_00487,CCN1CCC(Oc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CC1,C22H24ClFN4O2,430.9,5.0,59.5,1.0,7.0,6.0,30.0 +lb_00488,NCCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCOCC1,C22H24ClFN4O3,446.9,3.9,91.5,2.0,8.0,8.0,31.0 +lb_00489,CCN(CCO)CCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC,C22H26ClFN4O3,448.9,4.2,79.7,2.0,8.0,11.0,31.0 +lb_00490,C=C=CCCCCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC,C23H23ClFN3O2,427.9,6.0,56.3,1.0,6.0,10.0,30.0 +lb_00491,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CC(=O)OCC1(C)C,C23H24ClFN4O4,474.9,4.4,85.8,1.0,9.0,7.0,33.0 +lb_00492,COc1cc2ncnc(Nc3cc(Cl)ccc3F)c2cc1OCCCN1CCC2(CCOCC2)C1,C26H30ClFN4O3,501.0,5.1,68.7,1.0,8.0,8.0,35.0 +lb_00493,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CC2(CN=C(N)C2)C1,C23H24ClFN6O2,470.9,2.5,97.9,2.0,8.0,7.0,33.0 +lb_00494,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCOC[C@@H]1COCCN1,C22H24ClFN4O4,462.9,3.2,86.8,2.0,9.0,9.0,32.0 +lb_00495,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCNCCN(C)C,C21H25ClFN5O2,433.9,3.7,71.5,2.0,8.0,10.0,30.0 +lb_00496,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(CCCNC(C)=O)CC1,C25H29ClFN5O3,502.0,4.3,88.6,2.0,8.0,9.0,35.0 +lb_00497,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(C)C1,C20H20ClFN4O2,402.8,4.3,59.5,1.0,7.0,5.0,28.0 +lb_00498,NCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN,C18H19ClFN5O2,391.8,2.2,108.0,3.0,8.0,8.0,27.0 +lb_00499,[2H]c1nc(Nc2ccc(F)c(Cl)c2)c2c([2H])c(OCCCN3CCOCC3)c(OC([2H])([2H])[2H])c([2H])c2n1,C22H24ClFN4O3,452.9,4.1,68.7,1.0,8.0,8.0,31.0 +lb_00500,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC(=O)N1CCCCC1,C22H22ClFN4O3,444.9,4.5,76.6,1.0,7.0,6.0,31.0 +lb_00501,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN(C)CC(C)(C)O,C22H26ClFN4O3,448.9,4.1,79.7,2.0,8.0,9.0,31.0 +lb_00502,Cl.Cl.NCCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCOCC1,C22H26Cl3FN4O3,519.8,,91.5,4.0,8.0,8.0,33.0 +lb_00503,CCN1CCC(Oc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CC1.Cl,C22H25Cl2FN4O2,467.4,,59.5,2.0,7.0,6.0,31.0 +lb_00504,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC(C)(C)C,C19H19ClFN3O2,375.8,5.1,56.3,1.0,6.0,5.0,26.0 +lb_00505,CCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCC,C19H19ClFN3O2,375.8,5.3,56.3,1.0,6.0,7.0,26.0 +lb_00506,Nc1ncnc2cc(OCc3ccc(F)c(Cl)c3)c(OCCCN3CCOCC3)cc12,C22H24ClFN4O3,446.9,3.4,82.7,1.0,8.0,8.0,31.0 +lb_00507,CN(C)CCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCOCC1,C24H28ClFN4O3,475.0,4.9,68.7,1.0,8.0,9.0,33.0 +lb_00508,CCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCOC,C19H19ClFN3O3,391.8,4.3,65.5,1.0,7.0,8.0,27.0 +lb_00509,COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(C(=O)N2CCOCC2)CC1,C27H31ClFN5O5,560.0,3.6,98.3,1.0,9.0,8.0,39.0 +lb_00510,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCNC[C@H](C)O,C20H22ClFN4O3,420.9,3.4,88.5,3.0,8.0,9.0,29.0 +lb_00511,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCNCC(C)(C)O,C21H24ClFN4O3,434.9,3.6,88.5,3.0,8.0,9.0,30.0 +lb_00512,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCNCC(C)O,C20H22ClFN4O3,420.9,3.4,88.5,3.0,8.0,9.0,29.0 +lb_00513,NCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCOCC1,C21H22ClFN4O3,432.9,3.6,91.5,2.0,8.0,7.0,30.0 +lb_00514,CNCCN(C)CCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC,C21H25ClFN5O2,433.9,3.7,71.5,2.0,8.0,10.0,30.0 +lb_00515,COCCN(CCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCOCC1)CCOC,C28H36ClFN4O5,563.1,4.6,87.2,1.0,10.0,15.0,39.0 +lb_00516,[2H]C([2H])([2H])Oc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC([2H])([2H])C([2H])([2H])C([2H])([2H])N1C([2H])([2H])COCC1([2H])[2H],C22H24ClFN4O3,460.0,4.1,68.7,1.0,8.0,8.0,31.0 +lb_00517,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCc1ccccn1,C21H16ClFN4O2,410.8,4.5,69.2,1.0,7.0,6.0,29.0 +lb_00518,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC=C(C)C,C20H19ClFN3O2,387.8,5.6,56.3,1.0,6.0,6.0,27.0 +lb_00519,COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(C)CC1,C23H26ClFN4O3,460.9,4.5,68.7,1.0,8.0,8.0,32.0 +lb_00520,[2H]C1OC([2H])C([2H])N(CCCOc2cc3c(Nc4ccc(OC([2H])([2H])[2H])c(Cl)c4)ncnc3cc2OC([2H])([2H])[2H])C1[2H],C23H27ClN4O4,469.0,4.0,78.0,1.0,8.0,9.0,32.0 +lb_00521,[2H]C1OC([2H])C([2H])N(CCCOc2cc3c(Nc4ccc(Cl)c(Cl)c4)ncnc3cc2OC([2H])([2H])[2H])C1[2H],C22H24Cl2N4O3,470.4,4.6,68.7,1.0,7.0,8.0,31.0 +lb_00522,[2H]C([2H])([2H])Oc1ccc(Nc2ncnc3cc(OC([2H])([2H])[2H])c(OCCCN4C([2H])([2H])C([2H])([2H])OC([2H])([2H])C4([2H])[2H])cc23)cc1Cl,C23H27ClN4O4,473.0,4.0,78.0,1.0,8.0,9.0,32.0 +lb_00523,[2H]C([2H])([2H])Oc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3)c2cc1OCCCN1C([2H])([2H])C([2H])([2H])OC([2H])([2H])C1([2H])[2H],C22H24Cl2N4O3,474.4,4.6,68.7,1.0,7.0,8.0,31.0 +lb_00524,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(C(=O)N2CCOCC2)C1,C24H25ClFN5O4,501.9,3.4,89.1,1.0,8.0,5.0,35.0 +lb_00525,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(C(C=O)N2CCOCC2)CC1,C26H29ClFN5O4,530.0,4.0,89.1,1.0,10.0,8.0,37.0 +lb_00526,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC(C)C,C18H17ClFN3O2,361.8,4.9,56.3,1.0,6.0,5.0,25.0 +lb_00527,CCN(CC)CCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCOCC1,C26H32ClFN4O3,503.0,5.6,68.7,1.0,8.0,11.0,35.0 +lb_00528,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCC1CCCNC1,C23H26ClFN4O2,444.9,5.1,68.3,2.0,7.0,8.0,31.0 +lb_00529,[2H]C([2H])([2H])Oc1cc2ncnc(Nc3ccc(OC)c(Cl)c3)c2cc1OC([2H])([2H])C([2H])([2H])C([2H])([2H])N1CCOCC1,C23H27ClN4O4,468.0,4.0,78.0,1.0,8.0,9.0,32.0 +lb_00530,[2H]c1c([2H])c(Nc2ncnc3cc(OC)c(OCCCN4C([2H])([2H])C([2H])([2H])OC([2H])([2H])C4([2H])[2H])cc23)c([2H])c(Cl)c1F,C22H24ClFN4O3,458.0,4.1,68.7,1.0,8.0,8.0,31.0 +lb_00531,CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC,C18H17ClFN3O2,361.8,4.8,56.3,1.0,6.0,6.0,25.0 +lb_00532,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCCOC1,C20H19ClFN3O3,403.8,4.5,65.5,1.0,7.0,5.0,28.0 +lb_00533,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1O[C@@H]1CCCOC1,C20H19ClFN3O3,403.8,4.5,65.5,1.0,7.0,5.0,28.0 +lb_00534,Cl.Cl.NCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCOCC1,C21H24Cl3FN4O3,505.8,,91.5,4.0,8.0,7.0,32.0 +lb_00535,Fc1ccc(Nc2ncnc3cc(OCCN4CCNCC4)c(OCC4CC4)cc23)cc1Cl,C24H27ClFN5O2,472.0,4.2,71.5,2.0,8.0,9.0,33.0 +lb_00536,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC1CNCCO1,C20H20ClFN4O3,418.8,3.3,77.5,2.0,8.0,6.0,29.0 +lb_00537,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC[C@@H]1CNCCO1,C20H20ClFN4O3,418.8,3.3,77.5,2.0,8.0,6.0,29.0 +lb_00538,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC[C@H]1CNCCO1,C20H20ClFN4O3,418.8,3.3,77.5,2.0,8.0,6.0,29.0 +lb_00539,COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC[C@@H]1CNCCO1,C20H20ClFN4O3,418.8,3.3,77.5,2.0,8.0,6.0,29.0 +lb_00540,COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCC1CNCCO1,C20H20ClFN4O3,418.8,3.3,77.5,2.0,8.0,6.0,29.0 +lb_00541,CO[C-]=O.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCNc1cc[c-]cc1.[Y],C25H22ClFN4O4Y-2,585.8,,94.6,2.0,11.0,8.0,36.0 +lb_00542,[2H]C([2H])(Oc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O)C([2H])([2H])C([2H])([2H])N1CCOCC1,C21H22ClFN4O3,438.9,3.8,79.7,2.0,8.0,7.0,30.0 +lb_00543,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCC(NC(=O)N2CCOCC2)CC1,C26H29ClFN5O4,530.0,4.4,97.8,2.0,8.0,6.0,37.0 +lb_00544,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCC(NS(=O)(=O)N2CCOCC2)CC1,C25H29ClFN5O5S,566.0,4.1,123.0,2.0,11.0,8.0,38.0 +lb_00545,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(C(=O)N2CCCOCC2)CC1,C26H29ClFN5O4,530.0,4.1,89.1,1.0,8.0,5.0,37.0 +lb_00546,COC(=O)CN1CCCCC1CCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC,C26H30ClFN4O4,517.0,5.7,85.8,1.0,9.0,11.0,36.0 +lb_00547,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1(NS(=O)(=O)N2CCOCC2)CCCCC1,C25H29ClFN5O5S,566.0,4.5,123.0,2.0,11.0,8.0,38.0 +lb_00548,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCC(NS(=O)N2CCOCC2)CC1,C25H29ClFN5O4S,550.0,5.2,117.0,2.0,11.0,8.0,37.0 +lb_00549,CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCOCC1,C21H21ClFN3O3,417.9,4.9,65.5,1.0,7.0,6.0,29.0 +lb_00550,CCCCN1CCOC(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)C1,C24H28Cl2N4O3,491.4,5.6,68.7,1.0,7.0,9.0,33.0 +lb_00551,COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OCCCN1CCC(OC(F)F)CC1,C24H27ClF2N4O3,492.9,5.7,68.7,1.0,9.0,10.0,34.0 +lb_00552,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(CCCNC(=O)N(C)C)CC1,C26H32ClFN6O3,531.0,4.4,91.9,2.0,8.0,9.0,37.0 +lb_00553,CCNC(=O)NCCCN1CCC(Oc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CC1,C26H32ClFN6O3,531.0,4.5,101.0,3.0,8.0,10.0,37.0 +lb_00554,COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(CCCCF)CCO1,C24H27Cl2FN4O3,509.4,5.4,68.7,1.0,8.0,10.0,34.0 +lb_00555,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN(C)C[C@H](C)O,C21H24ClFN4O3,434.9,3.9,79.7,2.0,8.0,9.0,30.0 +lb_00556,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN(C)CC(C)O,C21H24ClFN4O3,434.9,3.9,79.7,2.0,8.0,9.0,30.0 +lb_00557,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCCN(C)C1,C21H22ClFN4O2,416.9,4.7,59.5,1.0,7.0,5.0,29.0 +lb_00558,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCNc1ccc[n+](C)c1,C23H22ClFN5O2+,454.9,4.8,72.2,2.0,7.0,8.0,32.0 +lb_00559,COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCOC(C)(C)C,C23H27ClFN3O4,463.9,4.8,74.7,1.0,8.0,11.0,32.0 +lb_00560,Fc1ccc(Nc2ncnc3cc(OCCCC4COCCN4)c(OCCCC4COCCN4)cc23)cc1Cl,C28H35ClFN5O4,560.1,4.0,98.8,3.0,10.0,12.0,39.0 +lb_00561,[CH2-]COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCOC.[Ho],C19H18ClFHoN3O3-,555.7,,65.5,1.0,8.0,8.0,28.0 +lb_00562,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCCN(C(=O)N2CCOCC2)C1,C25H27ClFN5O4,516.0,3.8,89.1,1.0,8.0,5.0,36.0 +lb_00563,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1(N(C)C(=O)N2CCOCC2)CCCCC1,C27H31ClFN5O4,544.0,4.9,89.1,1.0,8.0,6.0,38.0 +lb_00564,[2H]C1([2H])OC([2H])([2H])C([2H])([2H])N(CCCN(c2ccc(F)c(Cl)c2)c2ncnc3cc(OC)c(OCCCN4CCOCC4)cc23)C1([2H])[2H],C29H37ClFN5O4,582.1,4.3,72.4,0.0,10.0,12.0,40.0 +lb_00565,CCNCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCOCC1,C23H26ClFN4O3,460.9,4.4,77.5,2.0,8.0,9.0,32.0 +lb_00566,CNCC(O)COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC,C19H20ClFN4O3,406.8,3.0,88.5,3.0,8.0,8.0,28.0 +lb_00567,CCCCCN1CCOC(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)C1,C25H30Cl2N4O3,505.4,6.1,68.7,1.0,7.0,10.0,34.0 +lb_00568,C1COCCN1.COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCOCC1,C26H32ClFN4O5,535.0,,96.0,2.0,10.0,8.0,37.0 +lb_00569,[2H]c1c([2H])c(Nc2ncnc3cc(OC([2H])([2H])[2H])c(OCCCN4CC([2H])([2H])OC([2H])([2H])C4)cc23)c([2H])c(Cl)c1F,C22H24ClFN4O3,457.0,4.1,68.7,1.0,8.0,8.0,31.0 +lb_00570,[2H]C([2H])([2H])Oc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC([2H])([2H])C([2H])([2H])C([2H])([2H])N1CC([2H])([2H])OC([2H])([2H])C1,C22H24ClFN4O3,460.0,4.1,68.7,1.0,8.0,8.0,31.0 +lb_00571,COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OCCON1CCOCC1,C21H22ClFN4O4,448.9,3.8,78.0,1.0,9.0,8.0,31.0 +lb_00572,C=CCN1CC(Oc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)C1,C21H20ClFN4O2,414.9,4.6,59.5,1.0,7.0,7.0,29.0 +lb_00573,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCCCC1,C21H21ClFN3O2,401.9,5.9,56.3,1.0,6.0,5.0,28.0 +lb_00574,COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCOC(C)C,C22H25ClFN3O4,449.9,4.6,74.7,1.0,8.0,11.0,31.0 +lb_00575,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCC(N(C)S(=O)(=O)N2CCOCC2)CC1,C26H31ClFN5O5S,580.1,4.2,115.0,1.0,11.0,8.0,39.0 +lb_00576,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCC(N(C)C(=O)N2CCOCC2)CC1,C27H31ClFN5O4,544.0,4.6,89.1,1.0,8.0,6.0,38.0 +lb_00577,CN1CCCN(CCOc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc2OC2CCOCC2)C1=O,C26H29ClFN5O4,530.0,4.1,89.1,1.0,8.0,8.0,37.0 +lb_00578,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1(N(C)S(=O)(=O)N2CCOCC2)CCCCC1,C26H31ClFN5O5S,580.1,4.6,115.0,1.0,11.0,8.0,39.0 +lb_00579,COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(CCF)CCO1,C22H23Cl2FN4O3,481.3,4.7,68.7,1.0,8.0,8.0,32.0 +lb_00580,Fc1ccc(Nc2ncnc3cc(OCCN4CCNCC4)c(OC4CCCC4)cc23)cc1Cl,C25H29ClFN5O2,486.0,4.7,71.5,2.0,8.0,8.0,34.0 +lb_00581,Fc1ccc(Nc2ncnc3cc(OCCN4CCNCC4)c(OCC4CCCC4)cc23)cc1Cl,C26H31ClFN5O2,500.0,5.3,71.5,2.0,8.0,9.0,35.0 +lb_00582,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(COC(C)C)CC1,C24H28ClFN4O3,475.0,5.4,68.7,1.0,8.0,8.0,33.0 +lb_00583,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCOC[C@@H]1CCCN1,C22H24ClFN4O3,446.9,4.1,77.5,2.0,8.0,9.0,31.0 +lb_00584,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCNc1cc[c-]cc1.O=[C-]NO.[Y],C24H21ClFN5O4Y-2,586.8,,118.0,4.0,11.0,8.0,36.0 +lb_00585,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCNc1cc[c-]cc1.O=[C-]OO.[Y],C24H20ClFN4O5Y-2,587.8,,115.0,3.0,12.0,8.0,36.0 +lb_00586,[2H]c1nc(Nc2ccc(F)c(Cl)c2)c2c([2H])c(OCCCN3C([2H])([2H])COCC3([2H])[2H])c(OC)c([2H])c2n1,C22H24ClFN4O3,453.9,4.1,68.7,1.0,8.0,8.0,31.0 +lb_00587,[2H]c1nc(Nc2ccc(F)c(Cl)c2)c2c([2H])c(OCCCN3CC([2H])([2H])OC([2H])([2H])C3)c(OC)c([2H])c2n1,C22H24ClFN4O3,453.9,4.1,68.7,1.0,8.0,8.0,31.0 +lb_00588,COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCN1CCCC1,C21H22ClFN4O2,416.9,4.6,59.5,1.0,7.0,7.0,29.0 +lb_00589,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCc1cccnc1,C21H16ClFN4O2,410.8,4.5,69.2,1.0,7.0,6.0,29.0 +lb_00590,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC(O)CN(C)C,C20H22ClFN4O3,420.9,3.5,79.7,2.0,8.0,8.0,29.0 +lb_00591,CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CC(=O)OC(C)(C)C1,C24H26ClFN4O4,488.9,4.8,85.8,1.0,9.0,8.0,34.0 +lb_00592,CCCCCCCCCCCCCCCCNCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCOCC1,C37H54ClFN4O3,657.3,11.8,77.5,2.0,8.0,23.0,46.0 +lb_00593,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(C#N)CC1,C21H19ClFN5O2,427.9,5.0,83.3,1.0,8.0,5.0,30.0 +lb_00594,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(C(C)C)CC1,C23H26ClFN4O2,444.9,5.5,59.5,1.0,7.0,6.0,31.0 +lb_00595,CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCNC,C19H20ClFN4O2,390.8,4.0,68.3,2.0,7.0,8.0,27.0 +lb_00596,[2H]C([2H])([2H])OC([2H])([2H])COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC([2H])([2H])OC([2H])([2H])[2H],C20H21ClFN3O4,431.9,3.8,74.7,1.0,8.0,10.0,29.0 +lb_00597,O=C(NCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCOCC1)N1CCOCC1,C26H29ClFN5O5,546.0,3.4,107.0,2.0,9.0,8.0,38.0 +lb_00598,CCN(CCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC)CC(C)(C)O,C23H28ClFN4O3,462.9,4.4,79.7,2.0,8.0,10.0,32.0 +lb_00599,CCN(CCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC)CC(C)O,C22H26ClFN4O3,448.9,4.2,79.7,2.0,8.0,10.0,31.0 +lb_00600,COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCCN1CC(C)OC(C)C1,C24H28ClFN4O3,475.0,5.0,68.7,1.0,8.0,8.0,33.0 +lb_00601,CCC(Oc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC)N1CCNCC1,C22H25ClFN5O2,445.9,4.5,71.5,2.0,8.0,7.0,31.0 +lb_00602,CCN(CCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC)C[C@H](C)O,C22H26ClFN4O3,448.9,4.2,79.7,2.0,8.0,10.0,31.0 +lb_00603,Fc1ccc(Nc2ncnc3cc4c(cc23)OC(CCN2CCOCC2)CO4)cc1Cl,C22H22ClFN4O3,444.9,3.9,68.7,1.0,8.0,5.0,31.0 +lb_00604,COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OCCCN1CC[C@H](OC)C1,C23H27ClN4O3,442.9,4.4,68.7,1.0,7.0,9.0,31.0 +lb_00605,COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OCCCN1CCC(OC)C1,C23H27ClN4O3,442.9,4.4,68.7,1.0,7.0,9.0,31.0 +lb_00606,COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OCCCN1CC[C@@H](OC)C1,C23H27ClN4O3,442.9,4.4,68.7,1.0,7.0,9.0,31.0 +lb_00607,[2H]C([2H])([2H])Oc1ccc(Nc2ncnc3cc(OC([2H])([2H])[2H])c(OC([2H])([2H])C([2H])([2H])C([2H])([2H])N4CCOCC4)cc23)cc1Cl,C23H27ClN4O4,471.0,4.0,78.0,1.0,8.0,9.0,32.0 +lb_00608,[2H]C([2H])([2H])Oc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3)c2cc1OC([2H])([2H])C([2H])([2H])C([2H])([2H])N1CCOCC1,C22H24Cl2N4O3,472.4,4.6,68.7,1.0,7.0,8.0,31.0 +lb_00609,CC1CN(CCCOc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC2CCC2)CC(=O)O1,C26H28ClFN4O4,515.0,5.5,85.8,1.0,9.0,9.0,36.0 +lb_00610,C[C@@H]1CN(CCCOc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC2CCC2)CC(=O)O1,C26H28ClFN4O4,515.0,5.5,85.8,1.0,9.0,9.0,36.0 +lb_00611,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCC(C)CC1,C22H23ClFN3O2,415.9,6.1,56.3,1.0,6.0,5.0,29.0 +lb_00612,CCOC(=O)CN(C)CCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC,C23H26ClFN4O4,476.9,4.8,85.8,1.0,9.0,12.0,33.0 +lb_00613,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(COC=O)CC1,C22H22ClFN4O4,460.9,4.7,85.8,1.0,9.0,8.0,32.0 +lb_00614,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCOC[C@@H]1C[C@H](F)CN1,C22H23ClF2N4O3,464.9,4.1,77.5,2.0,9.0,9.0,32.0 +lb_00615,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCOC[C@@H]1C[C@@H](F)CN1,C22H23ClF2N4O3,464.9,4.1,77.5,2.0,9.0,9.0,32.0 +lb_00616,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCOC[C@@H]1CCCCN1,C23H26ClFN4O3,460.9,4.4,77.5,2.0,8.0,9.0,32.0 +lb_00617,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN(CCCC=O)C(C)C,C24H28ClFN4O3,475.0,4.7,76.6,1.0,8.0,12.0,33.0 +lb_00618,[2H]c1c([2H])c(Nc2ncnc3cc(OC)c(OC([2H])([2H])C([2H])([2H])C([2H])([2H])N4CCOCC4)cc23)c([2H])c(Cl)c1F,C22H24ClFN4O3,456.0,4.1,68.7,1.0,8.0,8.0,31.0 +lb_00619,COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCN1CCN(C)CC1,C22H25ClFN5O2,445.9,3.9,62.8,1.0,8.0,7.0,31.0 +lb_00620,COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OCCN1CCCC1,C21H22ClFN4O2,416.9,4.6,59.5,1.0,7.0,7.0,29.0 +lb_00621,CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(C(=O)N2CCOCC2)CC1,C26H29ClFN5O4,530.0,4.1,89.1,1.0,8.0,6.0,37.0 +lb_00622,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC(C)N1CC(=O)OC(C)(C)C1,C24H26ClFN4O4,488.9,4.9,85.8,1.0,9.0,7.0,34.0 +lb_00623,Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(OC4CCNCC4)cc23)c(F)c1Cl,C26H30ClF2N5O3,534.0,4.3,80.8,2.0,10.0,9.0,37.0 +lb_00624,CCCCN1CCOC(COc2cc3ncnc(Nc4ccc(CC)c(Cl)c4)c3cc2OC)C1,C26H33ClN4O3,485.0,5.8,68.7,1.0,7.0,10.0,34.0 +lb_00625,COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCOCCN1CCCC1,C23H26ClFN4O3,460.9,4.5,68.7,1.0,8.0,10.0,32.0 +lb_00626,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(C=O)CC1,C21H20ClFN4O3,430.9,4.2,76.6,1.0,7.0,5.0,30.0 +lb_00627,COc1cc2ncnc(N(F)c3cccc(Cl)c3)c2cc1OCCCN1CCOCC1,C22H24ClFN4O3,446.9,4.6,60.0,0.0,8.0,8.0,31.0 +lb_00628,Fc1ccc(Nc2ncnc3cc(OCCCC4CNCCO4)c(OCCCC4CNCCO4)cc23)cc1Cl,C28H35ClFN5O4,560.1,4.0,98.8,3.0,10.0,12.0,39.0 +lb_00629,O=C1NCCCN1CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCOCC1,C25H27ClFN5O4,516.0,3.9,97.8,2.0,8.0,8.0,36.0 +lb_00630,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(CCNC(=O)N(C)C)CC1,C25H30ClFN6O3,517.0,4.0,91.9,2.0,8.0,8.0,36.0 +lb_00631,CCNC(=O)NCCN1CCC(Oc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CC1,C25H30ClFN6O3,517.0,4.2,101.0,3.0,8.0,9.0,36.0 +lb_00632,CCCN1CCOC(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)C1,C23H26Cl2N4O3,477.4,5.2,68.7,1.0,7.0,8.0,32.0 +lb_00633,COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCC#CCN1CCOCC1,C23H22ClFN4O3,456.9,3.8,68.7,1.0,8.0,6.0,32.0 +lb_00634,COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OC/C=C/CN1CCOCC1,C23H24ClFN4O3,458.9,4.1,68.7,1.0,8.0,8.0,32.0 +lb_00635,COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCC=CCN1CCOCC1,C23H24ClFN4O3,458.9,4.1,68.7,1.0,8.0,8.0,32.0 +lb_00636,COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCCN1CC(C)OC(C)C1.Cl,C24H29Cl2FN4O3,511.4,,68.7,2.0,8.0,8.0,34.0 +lb_00637,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCNCC1,C20H20ClFN4O2,402.8,4.2,68.3,2.0,7.0,5.0,28.0 +lb_00638,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCC(N)CC1,C21H22ClFN4O2,416.9,4.5,82.3,2.0,7.0,5.0,29.0 +lb_00639,COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCNCC1,C20H20ClFN4O2,402.8,4.2,68.3,2.0,7.0,5.0,28.0 +lb_00640,C=C(C)NCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCOCC1,C24H26ClFN4O3,472.9,5.5,77.5,2.0,8.0,9.0,33.0 +lb_00641,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3F)c2cc1OCCCN1CCC(OC(F)F)CC1,C24H25ClF4N4O3,528.9,5.9,68.7,1.0,11.0,10.0,36.0 +lb_00642,[2H]C([2H])([2H])Oc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC([2H])([2H])C([2H])([2H])C([2H])([2H])N1C([2H])([2H])C([2H])([2H])OC([2H])([2H])C1([2H])[2H],C22H24ClFN4O3,464.0,4.1,68.7,1.0,8.0,8.0,31.0 +lb_00643,[2H]C1OC([2H])C([2H])N(C([2H])([2H])C([2H])([2H])C([2H])([2H])Oc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC([2H])([2H])[2H])C1[2H],C22H24ClFN4O3,460.0,4.1,68.7,1.0,8.0,8.0,31.0 +lb_00644,CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(C)CC1,C22H24ClFN4O2,430.9,5.0,59.5,1.0,7.0,6.0,30.0 +lb_00645,CCOC(=O)CN1CCC(COc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CC1,C25H28ClFN4O4,503.0,5.2,85.8,1.0,9.0,10.0,35.0 +lb_00646,CCOC(=O)CN1CCC(COc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc2OC)CC1,C25H28ClFN4O4,503.0,5.2,85.8,1.0,9.0,10.0,35.0 +lb_00647,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(C(C)=O)CC1,C22H22ClFN4O3,444.9,4.1,76.6,1.0,7.0,5.0,31.0 +lb_00648,COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCOCCN1CCN(C)CC1,C24H29ClFN5O3,490.0,3.8,72.0,1.0,9.0,10.0,34.0 +lb_00649,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(S(N)(=O)=O)CC1,C20H21ClFN5O4S,481.9,3.3,128.0,2.0,10.0,6.0,32.0 +lb_00650,C=C(C)N1CCC(Oc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CC1,C23H24ClFN4O2,442.9,5.8,59.5,1.0,7.0,6.0,31.0 +lb_00651,COC(=O)N1CCC(Oc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CC1,C22H22ClFN4O4,460.9,4.5,85.8,1.0,8.0,6.0,32.0 +lb_00652,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(S(C)=O)CC1,C21H22ClFN4O3S,464.9,4.4,95.8,1.0,9.0,6.0,31.0 +lb_00653,COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCOCCN1CCCC1.Cl,C23H27Cl2FN4O3,497.4,,68.7,2.0,8.0,10.0,33.0 +lb_00654,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1=CCC(NS(=O)(=O)N2CCOCC2)CC1,C25H27ClFN5O5S,564.0,3.9,123.0,2.0,11.0,8.0,38.0 +lb_00655,COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCC(O)CN1CCOCC1,C22H24ClFN4O4,462.9,3.1,89.0,2.0,9.0,8.0,32.0 +lb_00656,COc1cc2c(Nc3ccc(Oc4ccc(F)c(Cl)c4)cc3)ncnc2cc1OCC1CCN(C)CC1,C28H28ClFN4O3,523.0,6.4,68.7,1.0,8.0,8.0,37.0 +lb_00657,COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OC/C=C/CN1CCOCC1.Cl,C23H25Cl2FN4O3,495.4,,68.7,2.0,8.0,8.0,33.0 +lb_00658,COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCC=CCN1CCOCC1.Cl,C23H25Cl2FN4O3,495.4,,68.7,2.0,8.0,8.0,33.0 +lb_00659,COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCC#CCN1CCOCC1.Cl,C23H23Cl2FN4O3,493.4,,68.7,2.0,8.0,6.0,33.0 +lb_00660,CCC(Oc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCOCC1)N1CCOCC1,C26H30ClFN4O4,517.0,5.2,78.0,1.0,9.0,8.0,36.0 +lb_00661,CCC(Oc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC)C1COCCN1,C22H24ClFN4O3,446.9,4.3,77.5,2.0,8.0,7.0,31.0 +lb_00662,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(CC(=O)C(C)C)CC1,C25H28ClFN4O3,487.0,5.5,76.6,1.0,8.0,8.0,34.0 +lb_00663,CNC1CCC(Oc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CC1,C22H24ClFN4O2,430.9,5.0,68.3,2.0,7.0,6.0,30.0 +lb_00664,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCNCC1.Cl.Cl,C20H22Cl3FN4O2,475.8,,68.3,4.0,7.0,5.0,30.0 +lb_00665,COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCNCC1.Cl,C20H21Cl2FN4O2,439.3,,68.3,3.0,7.0,5.0,29.0 +lb_00666,C=CCCCN1CCOC(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)C1,C25H28Cl2N4O3,503.4,5.8,68.7,1.0,7.0,10.0,34.0 +lb_00667,COCC[As](C)C(=O)N1CCC(Oc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CC1,C25H29AsClFN4O4,578.9,,85.8,1.0,8.0,9.0,36.0 +lb_00668,CCC(Oc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC)N1CCOC(=O)C1C,C23H24ClFN4O4,474.9,5.3,85.8,1.0,9.0,7.0,33.0 +lb_00669,CCNC1CCC(Oc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CC1,C23H26ClFN4O2,444.9,5.4,68.3,2.0,7.0,7.0,31.0 +lb_00670,CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(CC)CC1,C23H26ClFN4O2,444.9,5.4,59.5,1.0,7.0,7.0,31.0 +lb_00671,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC[C@H]1CN(C(=O)OC(C)(C)C)CCO1,C25H28ClFN4O5,519.0,4.7,95.0,1.0,9.0,8.0,36.0 +lb_00672,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1,C25H28ClFN4O5,519.0,4.7,95.0,1.0,9.0,8.0,36.0 +lb_00673,CCN1CCOC(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)C1,C22H24Cl2N4O3,463.4,4.7,68.7,1.0,7.0,7.0,31.0 +lb_00674,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(C(N)=O)CC1,C21H21ClFN5O3,445.9,3.6,103.0,2.0,7.0,5.0,31.0 +lb_00675,COc1cc2ncnc(Nc3cc(Cl)ccc3F)c2cc1OCCCN1C2CCC1COC2,C24H26ClFN4O3,472.9,4.7,68.7,1.0,8.0,8.0,33.0 +lb_00676,COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCOCCN1CCN(C)CC1.Cl,C24H30Cl2FN5O3,526.4,,72.0,2.0,9.0,10.0,35.0 +lb_00677,CCN1C=CN(CC)[CH-]1.[Au].[C-]#CCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC,C25H25AuClFN5O2-2,678.9,,62.8,1.0,10.0,7.0,35.0 +lb_00678,[2H]C1OC([2H])C([2H])N(CCCOc2cc3c(Nc4cccc(Cl)c4)ncnc3cc2OC([2H])([2H])[2H])C1[2H],C22H25ClN4O3,436.0,4.0,68.7,1.0,7.0,8.0,30.0 +lb_00679,[2H]C([2H])([2H])Oc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OCCCN1C([2H])([2H])C([2H])([2H])OC([2H])([2H])C1([2H])[2H],C22H25ClN4O3,440.0,4.0,68.7,1.0,7.0,8.0,30.0 +lb_00680,COCC(=O)N1CCC(Oc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CC1,C23H24ClFN4O4,474.9,4.0,85.8,1.0,8.0,7.0,33.0 +lb_00681,COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCC#CCN1CCOCC1.Cl.O,C23H25Cl2FN4O4,511.4,,69.7,3.0,9.0,6.0,34.0 +lb_00682,COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(Cc2ccc(F)cc2)CCO1,C27H25Cl2FN4O3,543.4,5.9,68.7,1.0,8.0,8.0,37.0 +lb_00683,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCC(N(C)CN2CCCCC2)CC1,C28H35ClFN5O2,528.1,6.4,62.8,1.0,8.0,8.0,37.0 +lb_00684,CCC(Oc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC)N1CCN(CC(=O)OC)CC1,C25H29ClFN5O4,518.0,4.9,89.1,1.0,10.0,10.0,36.0 +lb_00685,CCCC(Oc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCOCC1)N1CCOCC1,C27H32ClFN4O4,531.0,5.6,78.0,1.0,9.0,9.0,37.0 +lb_00686,CCC(Oc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC)C1COCCN1.Cl,C22H25Cl2FN4O3,483.4,,77.5,3.0,8.0,7.0,32.0 +lb_00687,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCC(N(C)C)CC1,C23H26ClFN4O2,444.9,5.5,59.5,1.0,7.0,6.0,31.0 +lb_00688,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1O[C@H]1CCNC1,C19H18ClFN4O2,388.8,3.9,68.3,2.0,7.0,5.0,27.0 +lb_00689,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1O[C@@H]1CCNC1,C19H18ClFN4O2,388.8,3.9,68.3,2.0,7.0,5.0,27.0 +lb_00690,CNC1CCC(Oc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CC1.Cl.Cl,C22H26Cl3FN4O2,503.8,,68.3,4.0,7.0,6.0,32.0 +lb_00691,C=CCCCCN1CCOC(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)C1,C26H30Cl2N4O3,517.4,6.2,68.7,1.0,7.0,11.0,35.0 +lb_00692,COCCCNC(=O)N1CCC(Oc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CC1,C25H29ClFN5O4,518.0,4.2,97.8,2.0,8.0,9.0,36.0 +lb_00693,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC(O)CN(CCO)CCO,C22H26ClFN4O5,480.9,2.1,120.0,4.0,10.0,12.0,33.0 +lb_00694,COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(C)CCO1,C21H22Cl2N4O3,449.3,4.3,68.7,1.0,7.0,6.0,30.0 +lb_00695,COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCNCC1,C22H24ClFN4O3,446.9,4.1,77.5,2.0,8.0,8.0,31.0 +lb_00696,COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCC(C)N1CCOCC1,C22H24ClFN4O3,446.9,4.2,68.7,1.0,8.0,7.0,31.0 +lb_00697,CCC[C@@H](CCCNCC)Oc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC,C24H30ClFN4O2,461.0,6.1,68.3,2.0,7.0,12.0,32.0 +lb_00698,COc1cc2ncnc(Nc3ccc(C)c(Cl)c3)c2cc1OCC1CN(C)CCO1,C22H25ClN4O3,428.9,4.1,68.7,1.0,7.0,6.0,30.0 +lb_00699,COc1cc2c(Nc3ccc(C)c(Cl)c3)ncnc2cc1OCC1CN(C)CCO1,C22H25ClN4O3,428.9,4.1,68.7,1.0,7.0,6.0,30.0 +lb_00700,CN1CCCN(CCOc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc2OC2CCOC2)C1=O,C25H27ClFN5O4,516.0,3.8,89.1,1.0,8.0,8.0,36.0 +lb_00701,CN1CCCN(CCOc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc2O[C@H]2CCOC2)C1=O,C25H27ClFN5O4,516.0,3.8,89.1,1.0,8.0,8.0,36.0 +lb_00702,COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OCCCN,C18H19ClN4O2,358.8,3.4,82.3,2.0,6.0,7.0,25.0 +lb_00703,CCN(CC)CCOc1cc2ncnc(Nc3ccc(NC(=O)Nc4ccc(F)c(Cl)c4)cc3)c2cc1OC,C28H30ClFN6O3,553.0,5.4,101.0,3.0,8.0,11.0,39.0 +lb_00704,CCN(CC)CCOc1cc2c(Nc3ccc(NC(=O)Nc4ccc(F)c(Cl)c4)cc3)ncnc2cc1OC,C28H30ClFN6O3,553.0,5.4,101.0,3.0,8.0,11.0,39.0 +lb_00705,CNC(=O)N1CCC(Oc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CC1,C22H23ClFN5O3,459.9,4.0,88.6,2.0,7.0,5.0,32.0 +lb_00706,CNS(=O)(=O)N1CCC(Oc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CC1,C21H23ClFN5O4S,496.0,3.7,114.0,2.0,10.0,7.0,33.0 +lb_00707,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(C(=O)N2CCCC2)CC1,C25H27ClFN5O3,500.0,4.6,79.8,1.0,7.0,5.0,35.0 +lb_00708,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCCN(SC)C1,C21H22ClFN4O2S,448.9,5.1,84.8,1.0,8.0,6.0,30.0 +lb_00709,COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(C(=O)OC)CC1,C24H26ClFN4O5,504.9,4.4,95.0,1.0,9.0,9.0,35.0 +lb_00710,CCNC(=O)N1CCC(Oc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CC1,C23H25ClFN5O3,473.9,4.3,88.6,2.0,7.0,6.0,33.0 +lb_00711,CN=C(CO)N1CCC(Oc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CC1,C23H25ClFN5O3,473.9,3.7,92.1,2.0,8.0,7.0,33.0 +lb_00712,COC=CN1CCC(Oc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OCCOC)CC1,C25H28ClFN4O4,503.0,4.9,78.0,1.0,9.0,10.0,35.0 +lb_00713,[2H]c1c([2H])c(Nc2ncnc3cc(OC([2H])([2H])[2H])c(OCCCN4C([2H])([2H])C([2H])([2H])OC([2H])([2H])C4([2H])[2H])cc23)c([2H])c(Cl)c1F,C22H24ClFN4O3,461.0,4.1,68.7,1.0,8.0,8.0,31.0 +lb_00714,CN(C)C(=O)NCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCOCC1,C24H27ClFN5O4,504.0,3.8,97.8,2.0,8.0,8.0,35.0 +lb_00715,CCNC(=O)NCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCOCC1,C24H27ClFN5O4,504.0,4.0,107.0,3.0,8.0,9.0,35.0 +lb_00716,COCCNC(=O)N1CCC(Oc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CC1,C24H27ClFN5O4,504.0,3.8,97.8,2.0,8.0,8.0,35.0 +lb_00717,CCC(Oc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC)C1CCN(CC(=O)OC)CC1,C26H30ClFN4O4,517.0,5.8,85.8,1.0,9.0,10.0,36.0 +lb_00718,CCC(Oc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC)N1CC(=O)OC(C)(C)C1,C24H26ClFN4O4,488.9,5.5,85.8,1.0,9.0,7.0,34.0 +lb_00719,CCC(Oc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC)N1CC(=O)OC(C)(C)C1,C24H26ClFN4O4,488.9,5.5,85.8,1.0,9.0,7.0,34.0 +lb_00720,O=C(NCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCOCC1)N1CCCCC1,C27H31ClFN5O4,544.0,4.7,97.8,2.0,8.0,8.0,38.0 +lb_00721,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCCC(N)C1,C21H22ClFN4O2,416.9,4.5,82.3,2.0,7.0,5.0,29.0 +lb_00722,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1O[C@H]1CCNC1.Cl.Cl,C19H20Cl3FN4O2,461.7,,68.3,4.0,7.0,5.0,29.0 +lb_00723,Br.C.CNC1CCC(Oc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CC1,C23H29BrClFN4O2,527.9,,68.3,3.0,7.0,6.0,32.0 +lb_00724,C[N-]C1CCC(Oc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CC1.[Sg],C22H23ClFN4O2Sg-,699.0,,57.3,1.0,7.0,6.0,31.0 +lb_00725,COc1cc2ncnc(N(C)c3ccc(N)c(Cl)c3)c2cc1OCCCN1CCOCC1,C23H28ClN5O3,458.0,3.5,86.0,1.0,8.0,8.0,32.0 +lb_00726,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1O[C@@H]1C#CCC[C@H]1N(C)C(=O)N1CCOCC1,C27H27ClFN5O4,540.0,4.0,89.1,1.0,8.0,6.0,38.0 +lb_00727,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(C(=O)N2CCCCC2)CC1,C26H29ClFN5O3,514.0,5.0,79.8,1.0,7.0,5.0,36.0 +lb_00728,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(C(=O)N(C)C)CC1,C23H25ClFN5O3,473.9,4.1,79.8,1.0,7.0,5.0,33.0 +lb_00729,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(S(=O)(=O)N(C)C)CC1,C22H25ClFN5O4S,510.0,3.8,105.0,1.0,10.0,7.0,34.0 +lb_00730,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(S(=O)N(C)C)CC1,C22H25ClFN5O3S,494.0,4.9,99.0,1.0,10.0,7.0,33.0 +lb_00731,C=CC(O)N1CCC(Oc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CC1,C23H24ClFN4O3,458.9,4.8,79.7,2.0,8.0,7.0,32.0 +lb_00732,[2H]c1nc(Nc2ccc(F)c(Cl)c2)c2c([2H])c(OCCCN3C([2H])([2H])C([2H])([2H])OC([2H])([2H])C3([2H])[2H])c(OC)c([2H])c2n1,C22H24ClFN4O3,458.0,4.1,68.7,1.0,8.0,8.0,31.0 +lb_00733,COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OCCCCN,C19H21ClN4O2,372.8,3.8,82.3,2.0,6.0,8.0,26.0 +lb_00734,CCN(CC)C(=O)N1CCC(Oc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CC1,C25H29ClFN5O3,502.0,4.9,79.8,1.0,7.0,7.0,35.0 +lb_00735,CCC(Oc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCOC1)N1CCOCC1,C25H28ClFN4O4,503.0,4.9,78.0,1.0,9.0,8.0,35.0 +lb_00736,COCCCN(C)C(=O)N1CCC(Oc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CC1,C26H31ClFN5O4,532.0,4.4,89.1,1.0,8.0,9.0,37.0 +lb_00737,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCCNC1,C20H20ClFN4O2,402.8,4.2,68.3,2.0,7.0,5.0,28.0 +lb_00738,COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCNCC(C)(C)O,C23H28ClFN4O4,478.9,3.4,97.8,3.0,9.0,12.0,33.0 +lb_00739,COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCNC[C@H](C)O,C22H26ClFN4O4,464.9,3.3,97.8,3.0,9.0,12.0,32.0 +lb_00740,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCCC(N)C1.Cl.Cl,C21H24Cl3FN4O2,489.8,,82.3,4.0,7.0,5.0,31.0 +lb_00741,CCC(Oc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC)C1CCNCC1,C23H26ClFN4O2,444.9,5.4,68.3,2.0,7.0,7.0,31.0 +lb_00742,Fc1ccc(Nc2ncnc3cc4c(cc23)OCCOCCOCCO4)cc1Cl,C20H19ClFN3O4,419.8,3.6,74.7,1.0,8.0,2.0,29.0 +lb_00743,C=CCN1CCOC(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)C1,C23H24Cl2N4O3,475.4,5.0,68.7,1.0,7.0,8.0,32.0 +lb_00744,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCCN(C(C)=O)C1,C22H22ClFN4O3,444.9,4.1,76.6,1.0,7.0,5.0,31.0 +lb_00745,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCCN(S(C)(=O)=O)C1,C21H22ClFN4O4S,480.9,3.9,102.0,1.0,9.0,6.0,32.0 +lb_00746,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(C#N)C(I)C1,C21H18ClFIN5O2,553.8,5.8,83.3,1.0,8.0,5.0,31.0 +lb_00747,COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(C(=O)COC)CC1,C25H28ClFN4O5,519.0,3.9,95.0,1.0,9.0,10.0,36.0 +lb_00748,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCC(N2CCCN(C)C2=O)CC1,C26H29ClFN5O3,514.0,5.1,79.8,1.0,7.0,6.0,36.0 +lb_00749,COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCC(CCO)CN1CCOCC1,C24H28ClFN4O4,491.0,3.7,89.0,2.0,9.0,10.0,34.0 +lb_00750,COCCN(C)C(=O)N1CCC(Oc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CC1,C25H29ClFN5O4,518.0,4.0,89.1,1.0,8.0,8.0,36.0 +lb_00751,CCCC(Oc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCOC1)N1CCOCC1,C26H30ClFN4O4,517.0,5.2,78.0,1.0,9.0,9.0,36.0 +lb_00752,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC/C=C/N1CCC2CCNCC2C1,C26H29ClFN5O2,498.0,4.8,71.5,2.0,8.0,7.0,35.0 +lb_00753,CCC(CN)CC(CC)Oc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC,C23H28ClFN4O2,446.9,5.6,82.3,2.0,7.0,10.0,31.0 +lb_00754,C=CNC1CCC(Oc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CC1,C23H24ClFN4O2,442.9,6.0,68.3,2.0,7.0,7.0,31.0 +lb_00755,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCCNC1.Cl.Cl,C20H22Cl3FN4O2,475.8,,68.3,4.0,7.0,5.0,30.0 +lb_00756,CCC1CNCCC1Oc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC,C22H24ClFN4O2,430.9,5.0,68.3,2.0,7.0,6.0,30.0 +lb_00757,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCc1ccc(/C=C/c2ccc(N(C)C)cc2)cn1,C31H27ClFN5O2,556.0,6.9,72.4,1.0,8.0,9.0,40.0 +lb_00758,[2H]C([2H])([2H])Oc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC([2H])([2H])C([2H])([2H])C([2H])([2H])N1CCOCC1,C22H25ClN4O3,438.0,4.0,68.7,1.0,7.0,8.0,30.0 +lb_00759,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(C(=O)NC(C)C)CC1,C24H27ClFN5O3,488.0,4.8,88.6,2.0,7.0,6.0,34.0 +lb_00760,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC(C)N1CC(=O)OC(C)C1,C22H22ClFN4O4,460.9,4.8,85.8,1.0,9.0,6.0,32.0 +lb_00761,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(C(N)=O)C(C)C1,C22H23ClFN5O3,459.9,4.0,103.0,2.0,7.0,5.0,32.0 +lb_00762,COc1cc2nc(F)nc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCC1COCCN1,C22H23ClF2N4O3,464.9,4.5,77.5,2.0,9.0,8.0,32.0 +lb_00763,COc1cc2nc(Cl)nc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCC1COCCN1,C22H23Cl2FN4O3,481.3,5.0,77.5,2.0,8.0,8.0,32.0 +lb_00764,COc1cc2ncnc(Nc3ccc(C(F)(F)F)c(Cl)c3)c2cc1OCC1CN(C)CCO1,C22H22ClF3N4O3,482.9,4.6,68.7,1.0,10.0,6.0,33.0 +lb_00765,[2H]c1c([2H])c(Nc2ncnc3c([2H])c(OC([2H])([2H])[2H])c(OCCCN4C([2H])([2H])COCC4([2H])[2H])cc23)c([2H])c(Cl)c1F,C22H24ClFN4O3,458.0,4.1,68.7,1.0,8.0,8.0,31.0 +lb_00766,[2H]c1nc(Nc2ccc(F)c(Cl)c2)c2c([2H])c(OCCCN3C([2H])([2H])COCC3([2H])[2H])c(OC([2H])([2H])[2H])c([2H])c2n1,C22H24ClFN4O3,457.0,4.1,68.7,1.0,8.0,8.0,31.0 +lb_00767,[2H]c1nc(Nc2ccc(F)c(Cl)c2)c2c([2H])c(OCCCN3CC([2H])([2H])OC([2H])([2H])C3)c(OC([2H])([2H])[2H])c([2H])c2n1,C22H24ClFN4O3,457.0,4.1,68.7,1.0,8.0,8.0,31.0 +lb_00768,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(C(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1,C27H31ClFN5O4,544.0,4.6,89.1,1.0,8.0,5.0,38.0 +lb_00769,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(C(=O)N2CC(C)OC(C)C2)CC1,C27H31ClFN5O4,544.0,4.6,89.1,1.0,8.0,5.0,38.0 +lb_00770,COCC(=O)N1CCCC(Oc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)C1,C23H24ClFN4O4,474.9,4.0,85.8,1.0,8.0,7.0,33.0 +lb_00771,CCC(Oc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC)N1CC(=O)OCC1(C)C,C24H26ClFN4O4,488.9,5.5,85.8,1.0,9.0,7.0,34.0 +lb_00772,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(C(=O)N2CCOC(C)C2)CC1,C26H29ClFN5O4,530.0,4.2,89.1,1.0,8.0,5.0,37.0 +lb_00773,CC1CN(CCOc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc2OC2CCCC2)CC(=O)O1,C26H28ClFN4O4,515.0,5.5,85.8,1.0,9.0,8.0,36.0 +lb_00774,CC1CN(CCOc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC2CCCC2)CC(=O)O1,C26H28ClFN4O4,515.0,5.5,85.8,1.0,9.0,8.0,36.0 +lb_00775,C[C@@H]1CN(CCOc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC2CCCC2)CC(=O)O1,C26H28ClFN4O4,515.0,5.5,85.8,1.0,9.0,8.0,36.0 +lb_00776,C[C@@H]1CN(CCOc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc2OC2CCCC2)CC(=O)O1,C26H28ClFN4O4,515.0,5.5,85.8,1.0,9.0,8.0,36.0 +lb_00777,C[C@H]1CN(CCOc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc2OC2CCCC2)CC(=O)O1,C26H28ClFN4O4,515.0,5.5,85.8,1.0,9.0,8.0,36.0 +lb_00778,C[C@H]1CN(CCOc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC2CCCC2)CC(=O)O1,C26H28ClFN4O4,515.0,5.5,85.8,1.0,9.0,8.0,36.0 +lb_00779,CC[C@@H]1CN(C(=O)N2CCC(Oc3cc4c(Nc5ccc(F)c(Cl)c5)ncnc4cc3OC)CC2)C[C@H](CC)O1,C29H35ClFN5O4,572.1,5.7,89.1,1.0,8.0,7.0,40.0 +lb_00780,CCC1CN(C(=O)N2CCC(Oc3cc4c(Nc5ccc(F)c(Cl)c5)ncnc4cc3OC)CC2)CC(CC)O1,C29H35ClFN5O4,572.1,5.7,89.1,1.0,8.0,7.0,40.0 +lb_00781,CCCCCCCCCCCCCCC(CN1CCC(Oc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OCCOC)CC1)OC,C39H58ClFN4O4,701.4,11.7,78.0,1.0,9.0,24.0,49.0 +lb_00782,CN1CCC(Oc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC(F)F)CC1,C21H20ClF3N4O2,452.9,5.6,59.5,1.0,9.0,6.0,31.0 +lb_00783,CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCNCC(C)(C)O,C22H26ClFN4O3,448.9,4.0,88.5,3.0,8.0,10.0,31.0 +lb_00784,COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OC(C)N1CCOCC1,C21H22ClFN4O3,432.9,4.3,68.7,1.0,8.0,6.0,30.0 +lb_00785,CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(C(=O)OC)CC1,C23H24ClFN4O4,474.9,4.9,85.8,1.0,8.0,7.0,33.0 +lb_00786,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(C(=O)Nc2ccccc2)CC1,C27H25ClFN5O3,522.0,5.5,88.6,2.0,7.0,6.0,37.0 +lb_00787,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(C(C=O)N(C)C)CC1,C24H27ClFN5O3,488.0,4.4,79.8,1.0,9.0,8.0,34.0 +lb_00788,CCC1COCC(C)N1CCCOc1cc2c(Nc3cc(Cl)ccc3F)ncnc2cc1OC,C25H30ClFN4O3,489.0,5.5,68.7,1.0,8.0,9.0,34.0 +lb_00789,[2H]c1c([2H])c(Nc2ncnc3cc(OC([2H])([2H])[2H])c(OC([2H])([2H])C([2H])([2H])C([2H])([2H])N4CCOCC4)cc23)c([2H])c(Cl)c1F,C22H24ClFN4O3,459.0,4.1,68.7,1.0,8.0,8.0,31.0 +lb_00790,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(C(=O)NCC(C)OC)CC1,C25H29ClFN5O4,518.0,4.3,97.8,2.0,8.0,8.0,36.0 +lb_00791,CCC(Oc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC)N1CC(=O)OC(C)C1,C23H24ClFN4O4,474.9,5.3,85.8,1.0,9.0,7.0,33.0 +lb_00792,CCC(Oc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC)N1CC(=O)OC(C)C1,C23H24ClFN4O4,474.9,5.3,85.8,1.0,9.0,7.0,33.0 +lb_00793,CCCC(Oc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC)N1CC(=O)OC(C)C1,C24H26ClFN4O4,488.9,5.7,85.8,1.0,9.0,8.0,34.0 +lb_00794,CCCC(Oc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC)N1CC(=O)OC(C)C1,C24H26ClFN4O4,488.9,5.7,85.8,1.0,9.0,8.0,34.0 +lb_00795,COc1ccc(Cl)c(Nc2ncnc3cc(OCCN4CCCCC4)c(OC)cc23)c1,C23H27ClN4O3,442.9,4.8,68.7,1.0,7.0,8.0,31.0 +lb_00796,COc1cc2c(Nc3cccc(Cl)c3Cl)ncnc2cc1OCCN1CCCCC1,C22H24Cl2N4O2,447.4,5.5,59.5,1.0,6.0,7.0,30.0 +lb_00797,CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN(C)C(=N)CC,C22H25ClFN5O2,445.9,4.5,83.4,2.0,7.0,10.0,31.0 +lb_00798,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1=CCC(N(C)C)CC1,C23H24ClFN4O2,442.9,5.3,59.5,1.0,7.0,6.0,31.0 +lb_00799,C=CN(C)C1CCC(Oc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CC1,C24H26ClFN4O2,456.9,6.2,59.5,1.0,7.0,7.0,32.0 +lb_00800,[2H]c1nc(Nc2c([2H])c([2H])c(F)c(Cl)c2[2H])c2c([2H])c(OCCCN3CCOCC3)c(OC)c([2H])c2n1,C22H24ClFN4O3,452.9,4.1,68.7,1.0,8.0,8.0,31.0 +lb_00801,CCCCCCCCCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCCNC1,C29H38ClFN4O2,529.1,8.7,68.3,2.0,7.0,14.0,37.0 +lb_00802,[2H]c1nc(Nc2ccc(F)c(Cl)c2)c2c([2H])c(OC([2H])([2H])C([2H])([2H])C([2H])([2H])N3CCOCC3)c(OC)c([2H])c2n1,C22H24ClFN4O3,456.0,4.1,68.7,1.0,8.0,8.0,31.0 +lb_00803,COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(CC=C(C)C)CCO1,C25H28Cl2N4O3,503.4,5.8,68.7,1.0,7.0,8.0,34.0 +lb_00804,Fc1ccc(Nc2ncnc3cc4c(cc23)OCCO4)cc1Cl,C16H11ClFN3O2,331.73,3.9,56.3,1.0,6.0,2.0,23.0 +lb_00805,CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCNCC1,C21H22ClFN4O2,416.9,4.6,68.3,2.0,7.0,6.0,29.0 +lb_00806,COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCC1CCN(C)CC1,C23H26ClFN4O2,444.9,5.2,59.5,1.0,7.0,7.0,31.0 +lb_00807,COc1cc2c(Nc3ccc(C)c(Cl)c3)ncnc2cc1OCC1CNCCO1,C21H23ClN4O3,414.9,3.6,77.5,2.0,7.0,6.0,29.0 +lb_00808,COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OCCON1CCN(C)CC1,C22H25ClFN5O3,461.9,4.0,72.0,1.0,9.0,8.0,32.0 +lb_00809,COc1cc2nc(Nc3cccc(Cl)c3F)ncc2cc1OCCCN1CCOCC1,C22H24ClFN4O3,446.9,4.1,68.7,1.0,8.0,8.0,31.0 +lb_00810,COc1cc2ncnc(Nc3ccc(C)c(Cl)c3)c2cc1OCC1CNCCO1,C21H23ClN4O3,414.9,3.6,77.5,2.0,7.0,6.0,29.0 +lb_00811,C=C(C)N1CCC(Oc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OCC)CC1,C24H26ClFN4O2,456.9,6.1,59.5,1.0,7.0,7.0,32.0 +lb_00812,COc1cc2ncncc2cc1OCC(CN1CCOCC1)Nc1ccc(F)c(Cl)c1,C22H24ClFN4O3,446.9,3.6,68.7,1.0,8.0,8.0,31.0 +lb_00813,[B]c1cc(Nc2ncnc3cc(OCC4CN(C)CCO4)c(OC)cc23)ccc1Cl,C21H22BClN4O3,424.7,,68.7,1.0,7.0,6.0,30.0 +lb_00814,[2H]c1c([2H])c(Nc2ncnc3cc(OC)c(OC([2H])([2H])C([2H])([2H])C([2H])([2H])N4C([2H])([2H])COCC4([2H])[2H])cc23)c([2H])c(Cl)c1F,C22H24ClFN4O3,460.0,4.1,68.7,1.0,8.0,8.0,31.0 +lb_00815,CCOCC(=O)N1CCC(Oc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OCCOC)CC1,C26H30ClFN4O5,533.0,4.2,95.0,1.0,9.0,11.0,37.0 +lb_00816,CCOCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(C(=O)COC)CC1,C26H30ClFN4O5,533.0,4.2,95.0,1.0,9.0,11.0,37.0 +lb_00817,CCC(Oc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC)N1CC(=O)OC(CCOC)C1,C25H28ClFN4O5,519.0,5.2,95.0,1.0,10.0,10.0,36.0 +lb_00818,CCC(Oc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC)N1CC(=O)OC(CCOC)C1,C25H28ClFN4O5,519.0,5.2,95.0,1.0,10.0,10.0,36.0 +lb_00819,Cl.Fc1ccc(Nc2ncnc3cc4c(cc23)OCCO4)cc1Cl,C16H12Cl2FN3O2,368.2,,56.3,2.0,6.0,2.0,24.0 +lb_00820,C1COCCN1.CCOc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OC,C21H24ClFN4O3,434.9,,77.5,2.0,8.0,5.0,30.0 +lb_00821,COCCN1CCC(Oc2cc3c(Nc4cc(Cl)ccc4F)ncnc3cc2OC)CC1,C23H26ClFN4O3,460.9,4.5,68.7,1.0,8.0,8.0,32.0 +lb_00822,COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCOCC1,C20H18ClFN4O4,432.8,3.5,85.8,1.0,8.0,5.0,30.0 +lb_00823,COc1cc2c(Nc3cccc(Cl)c3)ncnc2cc1OCC1CN(C)CCO1,C21H23ClN4O3,414.9,3.7,68.7,1.0,7.0,6.0,29.0 +lb_00824,COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OCCC1CCN(C)CC1,C23H26ClFN4O2,444.9,5.2,59.5,1.0,7.0,7.0,31.0 +lb_00825,COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OCC1CN(C)CCO1,C21H23ClN4O3,414.9,3.7,68.7,1.0,7.0,6.0,29.0 +lb_00826,COc1cc2c(Nc3ccc(F)c(Cl)c3F)ncnc2cc1OCC1CN(C)CCO1,C21H21ClF2N4O3,450.9,3.9,68.7,1.0,9.0,6.0,31.0 +lb_00827,COCCN1CCC(COc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1,C24H28ClFN4O3,475.0,4.7,68.7,1.0,8.0,9.0,33.0 +lb_00828,COC=CN(C)C1CCC(Oc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CC1,C25H28ClFN4O3,487.0,5.8,68.7,1.0,8.0,8.0,34.0 +lb_00829,CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(C(=O)COC)CC1,C24H26ClFN4O4,488.9,4.4,85.8,1.0,8.0,8.0,34.0 +lb_00830,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCc1ccc(/C=C/c2ccc(N(C)C)cc2)c[n+]1C,C32H30ClFN5O2+,571.1,7.1,63.4,1.0,7.0,9.0,41.0 +lb_00831,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCCN(C(=O)OC(C)(C)C)C1,C25H28ClFN4O4,503.0,5.5,85.8,1.0,8.0,7.0,35.0 +lb_00832,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(OC(C)C)C(=C=O)C1,C24H24ClFN4O4,486.9,5.8,85.8,1.0,9.0,7.0,34.0 +lb_00833,CCC(Oc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC)N1CC(=O)OC(COC)C1,C24H26ClFN4O5,504.9,4.8,95.0,1.0,10.0,9.0,35.0 +lb_00834,CCC(Oc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC)N1CC(=O)OC(COC)C1,C24H26ClFN4O5,504.9,4.8,95.0,1.0,10.0,9.0,35.0 +lb_00835,CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(C(=O)NCCCOC)CC1,C26H31ClFN5O4,532.0,4.5,97.8,2.0,8.0,10.0,37.0 +lb_00836,COc1cc2c(Nc3cc(Cl)ccc3F)ncnc2cc1OCC1CN(C)CCO1,C21H22ClFN4O3,432.9,3.8,68.7,1.0,8.0,6.0,30.0 +lb_00837,CN1CCN(CCC2COc3cc4ncnc(Nc5ccc(F)c(Cl)c5)c4cc3O2)CC1,C23H25ClFN5O2,457.9,4.1,62.8,1.0,8.0,5.0,32.0 +lb_00838,COCCN1CCC(COc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1.Cl,C24H29Cl2FN4O3,511.4,,68.7,2.0,8.0,9.0,34.0 +lb_00839,[2H]C1OC([2H])C([2H])N(C([2H])([2H])C([2H])([2H])C([2H])([2H])Oc2cc3c(Nc4ccc(OC)c(Cl)c4)ncnc3cc2OC([2H])([2H])[2H])C1[2H],C23H27ClN4O4,472.0,4.0,78.0,1.0,8.0,9.0,32.0 +lb_00840,[2H]C([2H])([2H])Oc1cc2ncnc(Nc3ccc(OC)c(Cl)c3)c2cc1OC([2H])([2H])C([2H])([2H])C([2H])([2H])N1C([2H])([2H])C([2H])([2H])OC([2H])([2H])C1([2H])[2H],C23H27ClN4O4,476.0,4.0,78.0,1.0,8.0,9.0,32.0 +lb_00841,COc1cc2c(Nc3ccc(F)c(Cl)c3F)ncnc2cc1OCC1OCCN2CCOC[C@@H]12,C23H23ClF2N4O4,492.9,3.6,78.0,1.0,10.0,6.0,34.0 +lb_00842,COc1cc2c(Nc3ccc(F)c(Cl)c3F)ncnc2cc1OCC1OCCN2CCOCC12,C23H23ClF2N4O4,492.9,3.6,78.0,1.0,10.0,6.0,34.0 +lb_00843,COc1cc2c(Nc3ccc(Oc4cccc(F)c4)c(Cl)c3)ncnc2cc1OCC1CCN(C)CC1,C28H28ClFN4O3,523.0,6.4,68.7,1.0,8.0,8.0,37.0 +lb_00844,C.CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(C(=O)COC)CC1,C25H30ClFN4O4,505.0,,85.8,1.0,8.0,8.0,35.0 +lb_00845,COCC[N+](C)(C(=O)N1CCC(Oc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CC1)c1ccccc1,C31H34ClFN5O4+,595.1,5.9,85.8,1.0,8.0,9.0,42.0 +lb_00846,COCCN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1,C23H26ClFN4O3,460.9,4.5,68.7,1.0,8.0,8.0,32.0 +lb_00847,COc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1OC1CCN(C)CC1,C21H22ClFN4O2,416.9,4.7,59.5,1.0,7.0,5.0,29.0 +lb_00848,COc1cc2ncnc(Nc3cc(Cl)ccc3F)c2cc1OCC1CCN(C)CC1,C22H24ClFN4O2,430.9,4.9,59.5,1.0,7.0,6.0,30.0 +lb_00849,COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCC1CN(C)CCO1,C21H22ClFN4O3,432.9,3.8,68.7,1.0,8.0,6.0,30.0 +lb_00850,CNCCOc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OC,C18H18ClFN4O2,376.8,3.7,68.3,2.0,7.0,7.0,26.0 +lb_00851,CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(C(=O)N2CCCCC2)CC1,C27H31ClFN5O3,528.0,5.4,79.8,1.0,7.0,6.0,37.0 +lb_00852,COc1cc2c(Nc3cc(Cl)ccc3F)ncnc2cc1OCC1CCN(C)CC1,C22H24ClFN4O2,430.9,4.9,59.5,1.0,7.0,6.0,30.0 +lb_00853,CCN1CCOC(COc2cc3ncnc(Nc4cc(Cl)c(Cl)cc4F)c3cc2OC)C1,C22H23Cl2FN4O3,481.3,4.8,68.7,1.0,8.0,7.0,32.0 +lb_00854,CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCN(C)Cc1ccccc1,C25H24ClFN4O2,466.9,6.1,59.5,1.0,7.0,9.0,33.0 +lb_00855,COc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OCC1CN(C)CCO1,C21H22ClFN4O3,432.9,3.8,68.7,1.0,8.0,6.0,30.0 +lb_00856,Fc1ccc(Nc2ncnc3cc4c(cc23)OC(CCN2CCCC2)CO4)cc1Cl,C22H22ClFN4O2,428.9,4.8,59.5,1.0,7.0,5.0,30.0 +lb_00857,COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(CC2=CC(C)C(F)C=C2)CCO1,C28H29Cl2FN4O3,559.5,5.9,68.7,1.0,8.0,8.0,38.0 +lb_00858,COc1cc2ncnc(Nc3cc(Cl)cc(Cl)c3)c2cc1OCC1CN(C)CCO1,C21H22Cl2N4O3,449.3,4.3,68.7,1.0,7.0,6.0,30.0 +lb_00859,COc1cc2c(Nc3cc(Cl)cc(Cl)c3)ncnc2cc1OCC1CN(C)CCO1,C21H22Cl2N4O3,449.3,4.3,68.7,1.0,7.0,6.0,30.0 +lb_00860,[2H]c1c([2H])c(Nc2ncnc3cc(OC)c(OC([2H])([2H])C([2H])([2H])C([2H])([2H])N4CC([2H])([2H])OC([2H])([2H])C4)cc23)c([2H])c(Cl)c1F,C22H24ClFN4O3,460.0,4.1,68.7,1.0,8.0,8.0,31.0 +lb_00861,[2H]c1nc(Nc2ccc(F)c(Cl)c2)c2c([2H])c(OCCCN3C([2H])([2H])C([2H])([2H])OC([2H])([2H])C3([2H])[2H])c(OC([2H])([2H])[2H])c([2H])c2n1,C22H24ClFN4O3,461.0,4.1,68.7,1.0,8.0,8.0,31.0 +lb_00862,COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1Oc1ccnc(/C=C/CN2CCOCC2)c1,C27H25ClFN5O3,522.0,4.7,81.6,1.0,9.0,8.0,37.0 +lb_00863,CCCCCCCCCCCCCCC(CN(C)C1CCC(Oc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CC1)OC,C39H58ClFN4O3,685.4,12.6,68.7,1.0,8.0,22.0,48.0 +lb_00864,COc1cc2c(Nc3ccc(F)c(Cl)c3F)ncnc2cc1OC[C@H]1CN2CCOC[C@H]2CO1,C23H23ClF2N4O4,492.9,3.6,78.0,1.0,10.0,6.0,34.0 +lb_00865,COc1cc2c(Nc3ccc(F)c(Cl)c3F)ncnc2cc1OC[C@@H]1CN2CCOCC2CO1,C23H23ClF2N4O4,492.9,3.6,78.0,1.0,10.0,6.0,34.0 +lb_00866,COc1cc2c(Nc3ccc(F)c(Cl)c3F)ncnc2cc1OC[C@@H]1CN2CCOC[C@H]2CO1,C23H23ClF2N4O4,492.9,3.6,78.0,1.0,10.0,6.0,34.0 +lb_00867,COc1cc2c(Nc3ccc(F)c(Cl)c3F)ncnc2cc1OC[C@H]1CN2CCOCC2CO1,C23H23ClF2N4O4,492.9,3.6,78.0,1.0,10.0,6.0,34.0 +lb_00868,COc1cc2c(Nc3ccc(F)c(Cl)c3F)ncnc2cc1OCC1CN2CCOCC2CO1,C23H23ClF2N4O4,492.9,3.6,78.0,1.0,10.0,6.0,34.0 +lb_00869,CCC(Oc1cc2c(Nc3ccc(Cl)c(F)c3)ncnc2cc1OC)C1COCCN1,C22H24ClFN4O3,446.9,4.3,77.5,2.0,8.0,7.0,31.0 +lb_00870,COc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1OCC1CN(C)CCO1,C21H21Cl2FN4O3,467.3,4.4,68.7,1.0,8.0,6.0,31.0 +lb_00871,COc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OCC1CN(C)CCO1,C21H22ClFN4O3,432.9,3.8,68.7,1.0,8.0,6.0,30.0 +lb_00872,COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCN(C)C1CCN(C)CC1,C24H29ClFN5O2,474.0,4.7,62.8,1.0,8.0,8.0,33.0 +lb_00873,COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC1CCC(N2CCOCC2)CC1,C25H28ClFN4O3,487.0,5.1,68.7,1.0,8.0,6.0,34.0 +lb_00874,COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCC1COCCN1,C21H22ClFN4O3,432.9,3.7,77.5,2.0,8.0,7.0,30.0 +lb_00875,COc1cc2c(Nc3cc(Cl)c(Cl)cc3F)ncnc2cc1OCC1CN(C)CCO1,C21H21Cl2FN4O3,467.3,4.4,68.7,1.0,8.0,6.0,31.0 +lb_00876,CCCOc1cc2c(Nc3ccc(F)c(Cl)c3)nc(-c3cccnc3)nc2cc1OC,C23H20ClFN4O2,438.9,5.6,69.2,1.0,7.0,7.0,31.0 +lb_00877,Fc1ccc(Nc2ncnc3cc4c(cc23)OC(CCN2CCCCC2)CO4)cc1Cl,C23H24ClFN4O2,442.9,5.2,59.5,1.0,7.0,5.0,31.0 +lb_00878,CN1CCN(CC2COc3cc4ncnc(Nc5ccc(F)c(Cl)c5)c4cc3O2)CC1,C22H23ClFN5O2,443.9,3.8,62.8,1.0,8.0,4.0,31.0 +lb_00879,COc1cc2c(Nc3ccc(C)c(Cl)c3)ncnc2cc1OC[C@H]1CNC(C)[C@H](C)O1,C23H27ClN4O3,442.9,4.5,77.5,2.0,7.0,6.0,31.0 +lb_00880,COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCC1CCN(C)CC1,C22H24ClFN4O2,430.9,4.9,59.5,1.0,7.0,6.0,30.0 +lb_00881,COc1cc2c(Nc3c(F)cc(Cl)cc3F)ncnc2cc1OCC1CCN(C)CC1,C22H23ClF2N4O2,448.9,5.0,59.5,1.0,8.0,6.0,31.0 +lb_00882,COCCCNCCOc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OC,C21H24ClFN4O3,434.9,3.9,77.5,2.0,8.0,11.0,30.0 +lb_00883,CNCCOc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OC.Cl,C18H19Cl2FN4O2,413.3,,68.3,3.0,7.0,7.0,27.0 +lb_00884,CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(C(=O)N2CCOC(C)C2)CC1,C27H31ClFN5O4,544.0,4.6,89.1,1.0,8.0,6.0,38.0 +lb_00885,COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC[C@@H]1CCN(C(=O)N2CCOCC2)C1,C25H27ClFN5O4,516.0,3.6,89.1,1.0,8.0,6.0,36.0 +lb_00886,COc1cc2c(Nc3ccc(F)c(Cl)c3F)ncnc2cc1OC[C@@H]1CN2CCOC[C@H]2CO1.Cl,C23H24Cl2F2N4O4,529.4,,78.0,2.0,10.0,6.0,35.0 +lb_00887,COc1cc2c(Nc3ccc(F)c(Cl)c3F)ncnc2cc1OC[C@H]1CN2CCOC[C@H]2CO1.Cl,C23H24Cl2F2N4O4,529.4,,78.0,2.0,10.0,6.0,35.0 +lb_00888,CN=C(N)N1CCOC(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)C1,C22H24Cl2N6O3,491.4,3.4,107.0,2.0,7.0,7.0,33.0 +lb_00889,COc1cc2ncnc(Nc3ccc(C(F)(F)F)c(Cl)c3)c2cc1OCC1CNCCO1,C21H20ClF3N4O3,468.9,4.1,77.5,2.0,10.0,6.0,32.0 +lb_00890,COCCCOc1cc2c(Nc3ccc(F)c(Cl)c3)nc(-c3cccnc3)nc2cc1OC,C24H22ClFN4O3,468.9,4.9,78.4,1.0,8.0,9.0,33.0 +lb_00891,COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OCC1CCN(C)CC1,C22H24ClFN4O2,430.9,4.9,59.5,1.0,7.0,6.0,30.0 +lb_00892,COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCC1CCN(C)CC1.Cl,C22H25Cl2FN4O2,467.4,,59.5,2.0,7.0,6.0,31.0 +lb_00893,COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OCC1CCN(C)C1,C21H22ClFN4O2,416.9,4.5,59.5,1.0,7.0,6.0,29.0 +lb_00894,COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC[C@@H]1CCN(C)C1,C21H22ClFN4O2,416.9,4.5,59.5,1.0,7.0,6.0,29.0 +lb_00895,COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCNc1ccncc1,C22H19ClFN5O2,439.9,4.7,81.2,2.0,8.0,8.0,31.0 +lb_00896,COCC1COc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc2O1,C18H15ClFN3O3,375.8,3.8,65.5,1.0,7.0,4.0,26.0 +lb_00897,COCCCNCCOc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OC.Cl,C21H25Cl2FN4O3,471.3,,77.5,3.0,8.0,11.0,31.0 +lb_00898,COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCOCCN,C19H20ClFN4O3,406.8,3.0,91.5,2.0,8.0,9.0,28.0 +lb_00899,CNCCOc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OC.Cl.O,C18H21Cl2FN4O3,431.3,,69.3,4.0,8.0,7.0,28.0 +lb_00900,[2H]c1c([2H])c(Nc2ncnc3cc(OC)c(OC([2H])([2H])C([2H])([2H])C([2H])([2H])N4C([2H])([2H])C([2H])([2H])OC([2H])([2H])C4([2H])[2H])cc23)c([2H])c(Cl)c1F,C22H24ClFN4O3,464.0,4.1,68.7,1.0,8.0,8.0,31.0 +lb_00901,COCCOc1cc2c(Nc3ccc(C)c(Cl)c3)ncnc2cc1OCC1CNCCO1,C23H27ClN4O4,458.9,3.5,86.8,2.0,8.0,9.0,32.0 +lb_00902,[2H]C1OC([2H])C([2H])N(C([2H])([2H])C([2H])([2H])C([2H])([2H])Oc2cc3c(Nc4ccc(OC([2H])([2H])[2H])c(Cl)c4)ncnc3cc2OC([2H])([2H])[2H])C1[2H],C23H27ClN4O4,475.0,4.0,78.0,1.0,8.0,9.0,32.0 +lb_00903,[2H]C1OC([2H])C([2H])N(C([2H])([2H])C([2H])([2H])C([2H])([2H])Oc2cc3c(Nc4ccc(Cl)c(Cl)c4)ncnc3cc2OC([2H])([2H])[2H])C1[2H],C22H24Cl2N4O3,476.4,4.6,68.7,1.0,7.0,8.0,31.0 +lb_00904,[2H]C([2H])([2H])Oc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3)c2cc1OC([2H])([2H])C([2H])([2H])C([2H])([2H])N1C([2H])([2H])C([2H])([2H])OC([2H])([2H])C1([2H])[2H],C22H24Cl2N4O3,480.5,4.6,68.7,1.0,7.0,8.0,31.0 +lb_00905,[2H]C([2H])([2H])Oc1ccc(Nc2ncnc3cc(OC([2H])([2H])[2H])c(OC([2H])([2H])C([2H])([2H])C([2H])([2H])N4C([2H])([2H])C([2H])([2H])OC([2H])([2H])C4([2H])[2H])cc23)cc1Cl,C23H27ClN4O4,479.1,4.0,78.0,1.0,8.0,9.0,32.0 +lb_00906,COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OC[C@@H]1CCCN(C)C1,C22H24ClFN4O2,430.9,4.9,59.5,1.0,7.0,6.0,30.0 +lb_00907,CCOc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(C)CCO1,C22H24Cl2N4O3,463.4,4.7,68.7,1.0,7.0,7.0,31.0 +lb_00908,COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC[C@H]1CCCN1C,C21H22ClFN4O2,416.9,4.7,59.5,1.0,7.0,6.0,29.0 +lb_00909,COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCC1CCCCN1C,C22H24ClFN4O2,430.9,5.0,59.5,1.0,7.0,6.0,30.0 +lb_00910,COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCC1CCCN(C)C1,C22H24ClFN4O2,430.9,4.9,59.5,1.0,7.0,6.0,30.0 +lb_00911,COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OC[C@H]1CCCN(C)C1,C22H24ClFN4O2,430.9,4.9,59.5,1.0,7.0,6.0,30.0 +lb_00912,COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC[C@@H]1CCCN1C,C21H22ClFN4O2,416.9,4.7,59.5,1.0,7.0,6.0,29.0 +lb_00913,COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OCC1CCCN1C,C21H22ClFN4O2,416.9,4.7,59.5,1.0,7.0,6.0,29.0 +lb_00914,COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OC[C@H]1CCCCN1C,C22H24ClFN4O2,430.9,5.0,59.5,1.0,7.0,6.0,30.0 +lb_00915,COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCNc1ccncc1.Cl,C22H20Cl2FN5O2,476.3,,81.2,3.0,8.0,8.0,32.0 +lb_00916,COc1cc2c(Nc3ccc(Cl)cc3)ncnc2cc1OCC1CNCCO1,C20H21ClN4O3,400.9,3.2,77.5,2.0,7.0,6.0,28.0 +lb_00917,COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC1CCN(C(=O)N2CCOCC2)CC1,C25H27ClFN5O4,516.0,3.8,89.1,1.0,8.0,5.0,36.0 +lb_00918,COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCNC1CCN(C)C(C)C1,C24H29ClFN5O2,474.0,4.7,71.5,2.0,8.0,8.0,33.0 +lb_00919,[2H]c1nc(Nc2ccc(F)c(Cl)c2)c2c([2H])c(OC([2H])([2H])C([2H])([2H])C([2H])([2H])N3CCOCC3)c(OC([2H])([2H])[2H])c([2H])c2n1,C22H24ClFN4O3,459.0,4.1,68.7,1.0,8.0,8.0,31.0 +lb_00920,COc1cc2c(Nc3ccc(F)c(Cl)c3F)ncnc2cc1OCC1CN(C)C(C)(C)CO1,C23H25ClF2N4O3,478.9,4.5,68.7,1.0,9.0,6.0,33.0 +lb_00921,[2H]c1nc(Nc2c([2H])c([2H])c(F)c(Cl)c2[2H])c2c([2H])c(OCCCN3CCOCC3)c(OC([2H])([2H])[2H])c([2H])c2n1,C22H24ClFN4O3,456.0,4.1,68.7,1.0,8.0,8.0,31.0 +lb_00922,COCCOc1cc2c(Nc3ccc(F)c(Cl)c3)nc(-c3cccnc3)nc2cc1OC,C23H20ClFN4O3,454.9,4.5,78.4,1.0,8.0,8.0,32.0 +lb_00923,COCCOc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC1CCOCC1,C22H23ClFN3O4,447.9,4.3,74.7,1.0,8.0,8.0,31.0 +lb_00924,CC(C)Oc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OCCN1CCN(C)CC1,C24H29ClFN5O2,474.0,4.7,62.8,1.0,8.0,8.0,33.0 +lb_00925,COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCC1CCCCN1C.Cl,C22H25Cl2FN4O2,467.4,,59.5,2.0,7.0,6.0,31.0 +lb_00926,COc1cc2ncnc(Nc3cc(Cl)ccc3F)c2cc1OC1CCN(C)CC1,C21H22ClFN4O2,416.9,4.7,59.5,1.0,7.0,5.0,29.0 +lb_00927,COCCN(C)CCOc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OC,C21H24ClFN4O3,434.9,4.0,68.7,1.0,8.0,10.0,30.0 +lb_00928,[2H]c1c([2H])c(Nc2ncnc3cc(OC([2H])([2H])[2H])c(OC([2H])([2H])C([2H])([2H])C([2H])([2H])N4C([2H])([2H])COCC4([2H])[2H])cc23)c([2H])c(Cl)c1F,C22H24ClFN4O3,463.0,4.1,68.7,1.0,8.0,8.0,31.0 +lb_00929,COc1cc2c(Nc3ccc(F)c(Cl)c3F)ncnc2cc1OCC1CN(C)[I-]CO1,C20H19ClF2IN4O3-,563.7,4.4,68.7,1.0,10.0,6.0,31.0 +lb_00930,COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OCCON1CCC(N(C)C)CC1,C24H29ClFN5O3,490.0,4.8,72.0,1.0,9.0,9.0,34.0 +lb_00931,COCCOc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OCCN1CCN(C(C)=O)CC1,C25H29ClFN5O4,518.0,3.2,89.1,1.0,9.0,10.0,36.0 +lb_00932,COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCC(O)CN1CCCCC1,C23H26ClFN4O3,460.9,4.4,79.7,2.0,8.0,8.0,32.0 +lb_00933,COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OCC1CCN(CN)CC1,C22H25ClFN5O2,445.9,4.0,85.5,2.0,8.0,7.0,31.0 +lb_00934,COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCC1CCNCC1,C22H24ClFN4O2,430.9,4.8,68.3,2.0,7.0,7.0,30.0 +lb_00935,COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCNc1ccnc(C)c1,C23H21ClFN5O2,453.9,5.1,81.2,2.0,8.0,8.0,32.0 +lb_00936,COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OC1CCN(C)CC1,C21H22ClFN4O2,416.9,4.7,59.5,1.0,7.0,5.0,29.0 +lb_00937,COCCN(C)CCOc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OC.Cl,C21H25Cl2FN4O3,471.3,,68.7,2.0,8.0,10.0,31.0 +lb_00938,COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCc1ccncn1,C20H15ClFN5O2,411.8,3.9,82.1,1.0,8.0,6.0,29.0 +lb_00939,COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCC1CN(C(C)C)CCO1,C23H26ClFN4O3,460.9,4.6,68.7,1.0,8.0,7.0,32.0 +lb_00940,[2H]c1nc(Nc2ccc(F)c(Cl)c2)c2c([2H])c(OC([2H])([2H])C([2H])([2H])C([2H])([2H])N3C([2H])([2H])COCC3([2H])[2H])c(OC)c([2H])c2n1,C22H24ClFN4O3,460.0,4.1,68.7,1.0,8.0,8.0,31.0 +lb_00941,CC(C)Oc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(C)CCO1,C23H26Cl2N4O3,477.4,5.1,68.7,1.0,7.0,7.0,32.0 +lb_00942,COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCC(O)CN1CCCCC1.Cl,C23H27Cl2FN4O3,497.4,,79.7,3.0,8.0,8.0,33.0 +lb_00943,COc1cc2c(Nc3cccc(Cl)c3)ncnc2cc1OCC1CNCCO1,C20H21ClN4O3,400.9,3.2,77.5,2.0,7.0,6.0,28.0 +lb_00944,COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCCN(C)c1ccncc1,C24H23ClFN5O2,467.9,5.2,72.4,1.0,8.0,9.0,33.0 +lb_00945,CCN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1,C22H24ClFN4O2,430.9,5.0,59.5,1.0,7.0,6.0,30.0 +lb_00946,COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OCC1CNCCO1,C20H21ClN4O3,400.9,3.2,77.5,2.0,7.0,6.0,28.0 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+lb_00982,COc1cc2c(Nc3ccc(F)c(Cl)c3F)ncnc2cc1OC[C@@H]1CN2CCCC2CO1,C23H23ClF2N4O3,476.9,4.5,68.7,1.0,9.0,6.0,33.0 +lb_00983,COc1cc2c(Nc3ccc(F)c(Cl)c3F)ncnc2cc1OCC1CN2CCCC2CO1,C23H23ClF2N4O3,476.9,4.5,68.7,1.0,9.0,6.0,33.0 +lb_00984,COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCc1ccccn1,C21H16ClFN4O2,410.8,4.5,69.2,1.0,7.0,6.0,29.0 +lb_00985,CNC(C)COc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OC,C19H20ClFN4O2,390.8,4.1,68.3,2.0,7.0,7.0,27.0 +lb_00986,CCC(C)Oc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(C)CCO1,C24H28Cl2N4O3,491.4,5.7,68.7,1.0,7.0,8.0,33.0 +lb_00987,[2H]c1nc(Nc2ccc(F)c(Cl)c2)c2c([2H])c(OC([2H])([2H])C([2H])([2H])C([2H])([2H])N3CC([2H])([2H])OC([2H])([2H])C3)c(OC)c([2H])c2n1,C22H24ClFN4O3,460.0,4.1,68.7,1.0,8.0,8.0,31.0 +lb_00988,COc1cc2c(Nc3cccc(Cl)c3C)ncnc2cc1OCC1CN(C)CCO1,C22H25ClN4O3,428.9,4.1,68.7,1.0,7.0,6.0,30.0 +lb_00989,C#CCN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1,C23H22ClFN4O2,440.9,4.8,59.5,1.0,7.0,6.0,31.0 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+lb_00998,COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC1CCC(N(C)C(=O)N2CCOCC2)CC1,C27H31ClFN5O4,544.0,4.6,89.1,1.0,8.0,6.0,38.0 +lb_00999,COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC1CCC(=NC(=O)N2CCOCC2)CC1,C26H27ClFN5O4,528.0,4.0,98.2,1.0,8.0,5.0,37.0 diff --git a/data/ligands/prelim_set_egfr_4wkq/ligand_provenance.csv b/data/ligands/prelim_set_egfr_4wkq/ligand_provenance.csv new file mode 100644 index 0000000000000000000000000000000000000000..c9a76df865bce530364e2245496db83d7538cc3c --- /dev/null +++ b/data/ligands/prelim_set_egfr_4wkq/ligand_provenance.csv @@ -0,0 +1,1001 @@ +ligand_id,smiles,source,source_database,source_type,original_database_id,is_reference,parent_reference_ligand,reference_similarity,scaffold_core,scaffold_match,retrieval_threshold +ref_gefitinib_prelim,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1,reference,RCSB,reference,IRE,True,ref_gefitinib_prelim,1.0,c1ccc(Nc2ncnc3ccc(OCCCN4CCOCC4)cc23)cc1,1, 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0000000000000000000000000000000000000000..8a53398ee17a748ee882d84ffab9527a862d4d02 --- /dev/null +++ b/data/ligands/prelim_set_egfr_4wkq/reference_ligands.csv @@ -0,0 +1,2 @@ +reference_id,pdb_id,ligand_comp_id,ligand_name,reference_smiles,source_structure +ref_gefitinib_prelim,4WKQ,IRE,IRE,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1,4WKQ diff --git a/data/ligands/prelim_set_egfr_4wkq/shared_library_dedup.csv b/data/ligands/prelim_set_egfr_4wkq/shared_library_dedup.csv new file mode 100644 index 0000000000000000000000000000000000000000..21ff766dc91e6acbf2165da052f7745fa9f3f895 --- /dev/null +++ b/data/ligands/prelim_set_egfr_4wkq/shared_library_dedup.csv @@ -0,0 +1,1001 @@ +ligand_id,smiles,source,source_database,source_type,original_database_id,reference_similarity,scaffold_core,scaffold_match,retrieval_threshold,is_reference,parent_reference_ligand,molecular_formula,molecular_weight,xlogp,tpsa,hbd,hba,rotatable_bonds,heavy_atom_count 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+lb_00025,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1.O=S(=O)(O)O,database,PubChem,retrieved,CID:52919546,0.9090909090909091,c1ccc(Nc2ncnc3ccc(OCCCN4CCOCC4)cc23)cc1,1,95.0,False,ref_gefitinib_prelim,C22H26ClFN4O7S,545.0,,152.0,3.0,12.0,8.0,36.0,20260423 +lb_00524,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(C(=O)N2CCOCC2)C1,database,PubChem,retrieved,CID:20819682,0.6125,O=C(N1CCOCC1)N1CCC(Oc2ccc3ncnc(Nc4ccccc4)c3c2)C1,0,95.0,False,ref_gefitinib_prelim,C24H25ClFN5O4,501.9,3.4,89.1,1.0,8.0,5.0,35.0,20260423 +lb_00566,CNCC(O)COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC,database,PubChem,retrieved,CID:44299923,0.5972222222222222,c1ccc(Nc2ncnc3ccccc23)cc1,0,95.0,False,ref_gefitinib_prelim,C19H20ClFN4O3,406.8,3.0,88.5,3.0,8.0,8.0,28.0,20260423 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+lb_00908,COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC[C@H]1CCCN1C,database,PubChem,retrieved,CID:10454614,0.48148148148148145,c1ccc(Nc2ncnc3ccc(OCC4CCCN4)cc23)cc1,0,95.0,False,ref_gefitinib_prelim,C21H22ClFN4O2,416.9,4.7,59.5,1.0,7.0,6.0,29.0,20260423 diff --git a/data/ligands/prelim_set_egfr_4wkq/similarity_distribution.csv b/data/ligands/prelim_set_egfr_4wkq/similarity_distribution.csv new file mode 100644 index 0000000000000000000000000000000000000000..5cb663b80fd8a1b58ece45adc0f7db3cd9e9674a --- /dev/null +++ b/data/ligands/prelim_set_egfr_4wkq/similarity_distribution.csv @@ -0,0 +1,21 @@ +bin_left,bin_right,count,fraction +0.0,0.05,0,0.0 +0.05,0.1,0,0.0 +0.1,0.15000000000000002,0,0.0 +0.15000000000000002,0.2,0,0.0 +0.2,0.25,0,0.0 +0.25,0.30000000000000004,0,0.0 +0.30000000000000004,0.35000000000000003,0,0.0 +0.35000000000000003,0.4,0,0.0 +0.4,0.45,19,0.019 +0.45,0.5,119,0.119 +0.5,0.55,129,0.129 +0.55,0.6000000000000001,179,0.179 +0.6000000000000001,0.65,120,0.12 +0.65,0.7000000000000001,140,0.14 +0.7000000000000001,0.75,119,0.119 +0.75,0.8,84,0.084 +0.8,0.8500000000000001,43,0.043 +0.8500000000000001,0.9,18,0.018 +0.9,0.9500000000000001,13,0.013 +0.9500000000000001,1.0,17,0.017 diff --git a/data/ligands/prelim_set_mdm2_4hg7/ligand_metadata.csv b/data/ligands/prelim_set_mdm2_4hg7/ligand_metadata.csv new file mode 100644 index 0000000000000000000000000000000000000000..d9880223521396282f7e3a2b4dcfb777442fede2 --- /dev/null +++ b/data/ligands/prelim_set_mdm2_4hg7/ligand_metadata.csv @@ -0,0 +1,1001 @@ +ligand_id,smiles,molecular_formula,molecular_weight,xlogp,tpsa,hbd,hba,rotatable_bonds,heavy_atom_count +ref_nutlin3a_prelim,Cc1nc2ccccc2n1CC(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,,,,,,,, +lb_00001,Cc1nc2ccccc2n1CC(F)(F)F,C10H9F3N2,214.19,2.9,17.8,0.0,4.0,1.0,15.0 +lb_00002,Cc1nc2ccccc2n1Cc1cccc(C(F)(F)F)c1,C16H13F3N2,290.28,4.3,17.8,0.0,4.0,2.0,21.0 +lb_00003,Cc1nc2ccccc2n1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1,C16H10F6N2,344.25,5.3,17.8,0.0,7.0,1.0,24.0 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+lb_00035,CNc1nc2ccccc2n1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1,C16H11F6N3,359.27,5.2,29.9,1.0,8.0,2.0,25.0 +lb_00036,CC(C)c1nc2ccccc2n1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1,C18H14F6N2,372.3,6.0,17.8,0.0,7.0,2.0,26.0 +lb_00037,Cc1nc2ccccc2n1Cc1ccc2ccccc2c1,C19H16N2,272.3,4.7,17.8,0.0,1.0,2.0,21.0 +lb_00038,Cc1cccc(Cn2c(C)nc3ccccc32)c1,C16H16N2,236.31,3.8,17.8,0.0,1.0,2.0,18.0 +lb_00039,Cc1ccccc1Cn1c(C)nc2ccccc21,C16H16N2,236.31,3.8,17.8,0.0,1.0,2.0,18.0 +lb_00040,Cc1ccc(Cn2c(C)nc3ccccc32)cc1,C16H16N2,236.31,3.8,17.8,0.0,1.0,2.0,18.0 +lb_00041,Cc1nc2ccccc2n1CCC(C)C,C13H18N2,202.30,3.5,17.8,0.0,1.0,3.0,15.0 +lb_00042,Cc1ccc(Cn2c(-c3cccc(C(F)(F)F)c3)nc3ccccc32)cc1,C22H17F3N2,366.4,5.9,17.8,0.0,4.0,3.0,27.0 +lb_00043,Cc1ccc(Cn2c(-c3ccc(C(F)(F)F)cc3)nc3ccccc32)cc1,C22H17F3N2,366.4,5.9,17.8,0.0,4.0,3.0,27.0 +lb_00044,CC(C)(C)c1ccc(Cn2c(C(F)(F)F)nc3ccccc32)cc1,C19H19F3N2,332.4,5.6,17.8,0.0,4.0,3.0,24.0 +lb_00045,Cc1cc(C)c(C)c(Cn2c(C(F)(F)F)nc3ccccc32)c1C,C19H19F3N2,332.4,5.4,17.8,0.0,4.0,2.0,24.0 +lb_00046,Cc1cc(C)c(Cn2c(C(F)(F)F)nc3ccccc32)c(C)c1,C18H17F3N2,318.3,5.0,17.8,0.0,4.0,2.0,23.0 +lb_00047,FC(F)(F)c1cccc(Cn2c(C(F)(F)F)nc3ccccc32)c1,C16H10F6N2,344.25,4.8,17.8,0.0,7.0,2.0,24.0 +lb_00048,FC(F)(F)c1ccc(Cn2c(-c3ccccc3)nc3ccccc32)cc1,C21H15F3N2,352.4,5.6,17.8,0.0,4.0,3.0,26.0 +lb_00049,FC(F)(F)c1ccc(-c2nc3ccccc3n2Cc2ccccc2)cc1,C21H15F3N2,352.4,5.6,17.8,0.0,4.0,3.0,26.0 +lb_00050,CC(C)(C)c1cc(Cn2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc3ccccc32)cc(C(C)(C)C)c1,C36H48N2,508.8,11.4,17.8,0.0,1.0,7.0,38.0 +lb_00051,Cn1c(N=Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2ccccc21,C16H10F6N4,372.27,5.3,42.5,0.0,9.0,2.0,26.0 +lb_00052,CCc1nc2ccccc2n1CC(F)(F)c1ccccc1,C17H16F2N2,286.32,4.3,17.8,0.0,3.0,4.0,21.0 +lb_00053,Cc1ccc(C)c(Cn2c(C)nc3ccccc32)c1,C17H18N2,250.34,4.2,17.8,0.0,1.0,2.0,19.0 +lb_00054,Cc1nc2ccc(C(F)(F)F)cc2n1-c1ccccc1,C15H11F3N2,276.26,4.4,17.8,0.0,4.0,1.0,20.0 +lb_00055,CCC(C)Cn1c(C)nc2ccccc21,C13H18N2,202.30,3.5,17.8,0.0,1.0,3.0,15.0 +lb_00056,CCCCCCCCCCCCn1c(C)nc2ccccc21,C20H32N2,300.5,7.4,17.8,0.0,1.0,11.0,22.0 +lb_00057,CCCCCCCCCCn1c(C)nc2ccccc21,C18H28N2,272.4,6.3,17.8,0.0,1.0,9.0,20.0 +lb_00058,CCCn1c(C(F)(F)F)nc2ccccc21,C11H11F3N2,228.21,3.2,17.8,0.0,4.0,2.0,16.0 +lb_00059,CCCCCCCCn1c(C)nc2ccccc21,C16H24N2,244.37,5.2,17.8,0.0,1.0,7.0,18.0 +lb_00060,CCCCCCCCCn1c(C)nc2ccccc21,C17H26N2,258.4,5.7,17.8,0.0,1.0,8.0,19.0 +lb_00061,FC(F)(F)c1cccc(-c2nc3ccccc3n2CCCc2ccccc2)c1,C23H19F3N2,380.4,6.2,17.8,0.0,4.0,5.0,28.0 +lb_00062,FC(F)(F)c1cc(CN2CCN(Cc3nc4ccccc4n3Cc3ccccc3)CC2)cc(C(F)(F)F)c1,C28H26F6N4,532.5,6.0,24.3,0.0,9.0,6.0,38.0 +lb_00063,C=CCn1c(-c2cccc(C(F)(F)F)c2)nc2ccccc21,C17H13F3N2,302.29,4.7,17.8,0.0,4.0,3.0,22.0 +lb_00064,Cc1cccc(Cn2c(C(F)(F)F)nc3ccccc32)c1,C16H13F3N2,290.28,4.3,17.8,0.0,4.0,2.0,21.0 +lb_00065,Nc1nc2ccccc2n1Cc1cccc(C(F)(F)F)c1,C15H12F3N3,291.27,3.6,43.8,1.0,5.0,2.0,21.0 +lb_00066,FC(F)(F)c1cccc(Cn2c(Cl)nc3ccccc32)c1,C15H10ClF3N2,310.70,4.9,17.8,0.0,4.0,2.0,21.0 +lb_00067,C=CCn1c(-c2ccc(C(F)(F)F)cc2)nc2ccccc21,C17H13F3N2,302.29,4.7,17.8,0.0,4.0,3.0,22.0 +lb_00068,N#CCn1c(-c2ccc(C(F)(F)F)cc2)nc2ccccc21,C16H10F3N3,301.27,3.9,41.6,0.0,5.0,2.0,22.0 +lb_00069,FC(F)(F)c1ccc(-c2ccc(-c3nc4ccccc4n3Cc3ccccc3)cc2)cc1,C27H19F3N2,428.4,7.2,17.8,0.0,4.0,4.0,32.0 +lb_00070,Cn1c(-c2cc(N)cc(C(F)(F)F)c2)nc2ccccc21,C15H12F3N3,291.27,3.3,43.8,1.0,5.0,1.0,21.0 +lb_00071,Cc1ccccc1Cn1c(C(F)(F)F)nc2ccccc21,C16H13F3N2,290.28,4.3,17.8,0.0,4.0,2.0,21.0 +lb_00072,Cn1c(-c2cccc(C(F)(F)F)c2)nc2ccccc21,C15H11F3N2,276.26,4.0,17.8,0.0,4.0,1.0,20.0 +lb_00073,Cc1ccc(Cn2c(C(F)(F)F)nc3ccccc32)cc1,C16H13F3N2,290.28,4.3,17.8,0.0,4.0,2.0,21.0 +lb_00074,Cn1c(-c2ccc(C(F)(F)F)cc2)nc2ccccc21,C15H11F3N2,276.26,4.0,17.8,0.0,4.0,1.0,20.0 +lb_00075,Br.CCCCCCCCCCCCn1c(C)nc2ccccc21,C20H33BrN2,381.4,,17.8,1.0,1.0,11.0,23.0 +lb_00076,CCCCCCCCCn1c(C)nc2ccccc21.Cl,C17H27ClN2,294.9,,17.8,1.0,1.0,8.0,20.0 +lb_00077,Fc1cc(F)cc(Cn2c(-c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)nc3ccccc32)c1,C27H17F5N2,464.4,7.4,17.8,0.0,6.0,4.0,34.0 +lb_00078,Cc1ccc(C)c(Cn2c(C(F)(F)F)nc3ccccc32)c1,C17H15F3N2,304.31,4.7,17.8,0.0,4.0,2.0,22.0 +lb_00079,Cc1nc2ccccc2n1Cc1ccc(-c2ccccc2)cc1F,C21H17FN2,316.4,5.2,17.8,0.0,2.0,3.0,24.0 +lb_00080,CCn1c(NCc2ccc(C(F)(F)F)cc2)nc2ccccc21,C17H16F3N3,319.32,4.4,29.9,1.0,5.0,4.0,23.0 +lb_00081,CCCn1c(-c2ccccc2)nc2cc(C(F)(F)F)ccc21,C17H15F3N2,304.31,4.8,17.8,0.0,4.0,3.0,22.0 +lb_00082,Cc1nc2ccccc2n1Cc1ccc(F)cc1CN,C16H16FN3,269.32,2.4,43.8,1.0,3.0,3.0,20.0 +lb_00083,Cc1nc2ccccc2n1Cc1cc(F)ccc1CN,C16H16FN3,269.32,2.4,43.8,1.0,3.0,3.0,20.0 +lb_00084,FC(F)(F)c1cc(Cn2c3ccccc3c3nc4ccccc4nc32)cc(C(F)(F)F)c1,C23H13F6N3,445.4,6.1,30.7,0.0,8.0,2.0,32.0 +lb_00085,CC(C)(C)c1ccc(-c2nc3ccccc3n2CCF)cc1,C19H21FN2,296.4,5.1,17.8,0.0,2.0,4.0,22.0 +lb_00086,Cc1nc2ccccc2n1Cc1cccc2ccccc12,C19H16N2,272.3,4.7,17.8,0.0,1.0,2.0,21.0 +lb_00087,Cc1nc2ccccc2n1C/C=C/c1ccccc1,C17H16N2,248.32,4.1,17.8,0.0,1.0,3.0,19.0 +lb_00088,CCCn1c(Nc2cccc(C(F)(F)F)c2)nc2ccccc21,C17H16F3N3,319.32,5.0,29.9,1.0,5.0,4.0,23.0 +lb_00089,CCNc1nc2ccccc2n1Cc1cccc(C(F)(F)F)c1,C17H16F3N3,319.32,4.6,29.9,1.0,5.0,4.0,23.0 +lb_00090,CCCCn1c(C(F)(F)F)nc2ccccc21,C12H13F3N2,242.24,3.5,17.8,0.0,4.0,3.0,17.0 +lb_00091,Cc1nc2ccccc2n1Cc1ccc(CN)cc1F,C16H16FN3,269.32,2.4,43.8,1.0,3.0,3.0,20.0 +lb_00092,Cc1nc2ccccc2n1CC(N)c1cccc(F)c1,C16H16FN3,269.32,2.5,43.8,1.0,3.0,3.0,20.0 +lb_00093,Cc1nc2ccccc2n1Cc1cc(CN)ccc1F,C16H16FN3,269.32,2.4,43.8,1.0,3.0,3.0,20.0 +lb_00094,Cc1nc2ccccc2n1CC(N)c1ccc(F)c(F)c1,C16H15F2N3,287.31,2.6,43.8,1.0,4.0,3.0,21.0 +lb_00095,Cc1nc2ccccc2n1C(F)(F)C(F)F,C10H8F4N2,232.18,3.4,17.8,0.0,5.0,2.0,16.0 +lb_00096,FC(F)(F)c1nc2ccccc2n1CC#CCn1c(C(F)(F)F)nc2ccccc21,C20H12F6N4,422.3,4.8,35.6,0.0,8.0,2.0,30.0 +lb_00097,Fc1ccc(Cn2c(CN3CCN(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)CC3)nc3ccccc32)cc1,C28H25F7N4,550.5,6.1,24.3,0.0,10.0,6.0,39.0 +lb_00098,CCn1c(-c2ccccc2)nc2cc(C(F)(F)F)ccc21,C16H13F3N2,290.28,4.3,17.8,0.0,4.0,2.0,21.0 +lb_00099,FC(F)(F)c1ccc(Cn2c(CBr)nc3ccccc32)cc1,C16H12BrF3N2,369.18,4.5,17.8,0.0,4.0,3.0,22.0 +lb_00100,Cn1c(-c2ccc(C(F)(F)F)cc2C(F)(F)F)nc2ccccc21,C16H10F6N2,344.25,4.9,17.8,0.0,7.0,1.0,24.0 +lb_00101,Cc1nc2ccccc2n1CC(N)c1ccccc1F,C16H16FN3,269.32,2.5,43.8,1.0,3.0,3.0,20.0 +lb_00102,Cc1nc2ccccc2n1CC(N)c1ccc(F)cc1,C16H16FN3,269.32,2.5,43.8,1.0,3.0,3.0,20.0 +lb_00103,Cc1nc2ccccc2n1CC(N)c1c(F)cccc1F,C16H15F2N3,287.31,2.6,43.8,1.0,4.0,3.0,21.0 +lb_00104,Nc1cccc(-c2nc3ccccc3n2Cc2ccc(C(F)(F)F)cc2)c1,C21H16F3N3,367.4,4.9,43.8,1.0,5.0,3.0,27.0 +lb_00105,CCn1c(C)nc2cc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)ccc21,C14H11F9N2,378.24,5.5,17.8,0.0,10.0,2.0,25.0 +lb_00106,Cc1nc2cc(C(F)(F)F)ccc2n1-c1ccccc1,C15H11F3N2,276.26,4.4,17.8,0.0,4.0,1.0,20.0 +lb_00107,Cc1nc2ccccc2n1CC(N)c1ccc(F)cc1F,C16H15F2N3,287.31,2.6,43.8,1.0,4.0,3.0,21.0 +lb_00108,Cc1nc2ccccc2n1CC(N)c1cc(F)ccc1F,C16H15F2N3,287.31,2.6,43.8,1.0,4.0,3.0,21.0 +lb_00109,Cc1nc2ccccc2n1Cc1cc(C#N)ccc1F,C16H12FN3,265.28,3.3,41.6,0.0,3.0,2.0,20.0 +lb_00110,CCN(CC)CCCn1c(C)nc2cc(C(F)(F)F)ccc21,C16H22F3N3,313.36,3.8,21.1,0.0,5.0,6.0,22.0 +lb_00111,CCCn1c(-c2ccccc2C)nc2cc(C(F)(F)F)ccc21,C18H17F3N2,318.3,5.2,17.8,0.0,4.0,3.0,23.0 +lb_00112,Fc1ccc(Cn2c(-c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)nc3ccccc32)cc1,C27H18F4N2,446.4,7.3,17.8,0.0,5.0,4.0,33.0 +lb_00113,FC(F)(F)c1nc2ccccc2n1Cc1ccccc1,C15H11F3N2,276.26,4.0,17.8,0.0,4.0,2.0,20.0 +lb_00114,FC(F)(F)c1cc(-n2cnc3ccccc32)cc(C(F)(F)F)c1,C15H8F6N2,330.23,4.9,17.8,0.0,7.0,1.0,23.0 +lb_00115,Cc1ccc(C=Cc2nc3ccccc3n2Cc2cccc(C(F)(F)F)c2)cc1,C24H19F3N2,392.4,6.6,17.8,0.0,4.0,4.0,29.0 +lb_00116,Cc1ccc(/C=C/c2nc3ccccc3n2Cc2cccc(C(F)(F)F)c2)cc1,C24H19F3N2,392.4,6.6,17.8,0.0,4.0,4.0,29.0 +lb_00117,Nc1cccc(-c2nc3ccccc3n2CC(F)(F)F)c1,C15H12F3N3,291.27,3.5,43.8,1.0,5.0,2.0,21.0 +lb_00118,Cn1c(-c2cc(C(F)(F)F)ccc2N)nc2ccccc21,C15H12F3N3,291.27,3.3,43.8,1.0,5.0,1.0,21.0 +lb_00119,CCCCn1c(C)nc2cc(C(F)(F)F)cc(N)c21,C13H16F3N3,271.28,3.2,43.8,1.0,5.0,3.0,19.0 +lb_00120,CCCCn1c(Nc2cccc(C(F)(F)F)c2)nc2ccccc21,C18H18F3N3,333.4,5.4,29.9,1.0,5.0,5.0,24.0 +lb_00121,CCn1c(C(C)(C)C)nc2ccccc21,C13H18N2,202.30,3.4,17.8,0.0,1.0,2.0,15.0 +lb_00122,Nc1ccc(-c2nc3ccccc3n2CC(F)(F)F)cc1,C15H12F3N3,291.27,3.5,43.8,1.0,5.0,2.0,21.0 +lb_00123,Cn1c(Cn2c(C(F)(F)F)nc3ccccc32)nc2ccccc21,C17H13F3N4,330.31,3.5,35.6,0.0,5.0,2.0,24.0 +lb_00124,CCCCCCn1c(C(F)(F)F)nc2ccccc21,C14H17F3N2,270.29,4.6,17.8,0.0,4.0,5.0,19.0 +lb_00125,Nc1nc2ccccc2n1CCCc1cccc(C(F)(F)F)c1,C17H16F3N3,319.32,4.2,43.8,1.0,5.0,4.0,23.0 +lb_00126,FC(F)(F)c1cc(CNCc2nc3ccccc3n2-c2ccccc2)cc(C(F)(F)F)c1,C23H17F6N3,449.4,5.8,29.9,1.0,8.0,5.0,32.0 +lb_00127,FC(F)(F)c1ccc(Cn2c(CBr)nc3ccccc32)c(C(F)(F)F)c1,C17H11BrF6N2,437.2,5.4,17.8,0.0,7.0,3.0,26.0 +lb_00128,CN(C)CCn1c(-c2ccccc2)nc2cc(C(F)(F)F)ccc21,C18H18F3N3,333.4,4.0,21.1,0.0,5.0,4.0,24.0 +lb_00129,Cc1nc2ccccc2n1CCNCc1cccc(F)c1,C17H18FN3,283.34,2.9,29.9,1.0,3.0,5.0,21.0 +lb_00130,CCCCN(CCCC)CCCn1c(C)nc2cc(C(F)(F)F)ccc21,C20H30F3N3,369.5,5.6,21.1,0.0,5.0,10.0,26.0 +lb_00131,Fc1ccc(Cn2c(CNc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc3ccccc32)c(F)c1,C23H15F8N3,485.4,6.5,29.9,1.0,10.0,5.0,34.0 +lb_00132,CCn1c(C(C)NCc2cc(F)cc(C(F)(F)F)c2)nc2ccccc21,C19H19F4N3,365.4,4.0,29.9,1.0,6.0,5.0,26.0 +lb_00133,FC(F)(F)c1nc2ccccc2n1CCc1ccccc1,C16H13F3N2,290.28,4.2,17.8,0.0,4.0,3.0,21.0 +lb_00134,C=CCn1c(C(F)(F)F)nc2ccccc21,C11H9F3N2,226.20,3.1,17.8,0.0,4.0,2.0,16.0 +lb_00135,Cc1cc(C(F)(F)F)ccc1-c1nc2ccccc2n1-c1c(C)cccc1C,C23H19F3N2,380.4,6.7,17.8,0.0,4.0,2.0,28.0 +lb_00136,Cc1ccc(NCCn2c(C(F)(F)F)nc3ccccc32)cc1,C17H16F3N3,319.32,4.3,29.9,1.0,5.0,4.0,23.0 +lb_00137,Cc1nc2ccccc2n1CCNCc1ccc(F)cc1,C17H18FN3,283.34,2.9,29.9,1.0,3.0,5.0,21.0 +lb_00138,Cc1nc2ccccc2n1CCNCc1ccccc1F,C17H18FN3,283.34,2.9,29.9,1.0,3.0,5.0,21.0 +lb_00139,CCn1c(-c2ccccc2C)nc2cc(C(F)(F)F)ccc21,C17H15F3N2,304.31,4.6,17.8,0.0,4.0,2.0,22.0 +lb_00140,CC(C)(C)c1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1,C19H19F3N2,332.4,5.6,17.8,0.0,4.0,3.0,24.0 +lb_00141,CCCCCn1c(Nc2cccc(C(F)(F)F)c2)nc2ccccc21,C19H20F3N3,347.4,5.9,29.9,1.0,5.0,6.0,25.0 +lb_00142,Cc1nc2cc(C(F)(F)F)ccc2n1C,C10H9F3N2,214.19,2.7,17.8,0.0,4.0,0.0,15.0 +lb_00143,CC(C)(C)c1ccc(Cn2c(-c3ccc(C(C)(C)C)cc3)nc3ccccc32)cc1,C28H32N2,396.6,8.0,17.8,0.0,1.0,5.0,30.0 +lb_00144,FC(F)(F)c1nc2ccccc2n1Cc1ccc2ccccc2c1,C19H13F3N2,326.3,5.2,17.8,0.0,4.0,2.0,24.0 +lb_00145,I.Nc1nc2ccccc2n1CCCc1cccc(C(F)(F)F)c1,C17H17F3IN3,447.24,,43.8,2.0,5.0,4.0,24.0 +lb_00146,FC(F)(F)c1cccc(CNc2nc3ccccc3n2Cc2ccccc2)c1,C22H18F3N3,381.4,5.7,29.9,1.0,5.0,5.0,28.0 +lb_00147,CC1=CN=C(n2c(C)nc3ccccc32)N(c2ccc(C(F)(F)F)cc2)C1,C20H17F3N4,370.4,4.2,33.4,0.0,5.0,2.0,27.0 +lb_00148,Cc1cc(-c2nc3ccccc3n2C2CCC2)cc(C(F)(F)F)c1,C19H17F3N2,330.3,5.2,17.8,0.0,4.0,2.0,24.0 +lb_00149,CC(C)(CNc1nc2ccccc2[nH]1)c1cc(F)cc(C(F)(F)F)c1,C18H17F4N3,351.3,5.6,40.7,2.0,6.0,4.0,25.0 +lb_00150,Cc1nc2ccccc2n1Cc1cc(C(N)=S)ccc1F,C16H14FN3S,299.4,3.0,75.9,1.0,3.0,3.0,21.0 +lb_00151,Cc1nc2ccccc2n1Cc1ccc(F)cc1C(=N)N,C16H15FN4,282.32,2.5,67.7,2.0,3.0,3.0,21.0 +lb_00152,Cl.Fc1ccc(Cn2c(CNc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc3ccccc32)c(F)c1,C23H16ClF8N3,521.8,,29.9,2.0,10.0,5.0,35.0 +lb_00153,CC(C)=CCCC(C)CCn1c(-c2ccc(C(F)(F)F)cc2)nc2ccccc21,C24H27F3N2,400.5,7.6,17.8,0.0,4.0,7.0,29.0 +lb_00154,CC(C)(CC(=O)O)Cc1nc2ccccc2n1Cc1cccc(C(F)(F)F)c1,C21H21F3N2O2,390.4,4.9,55.1,1.0,6.0,6.0,28.0 +lb_00155,CC(C)n1c(-c2ccc(C(F)(F)F)cc2C(F)(F)F)nc2ccccc21,C18H14F6N2,372.3,5.6,17.8,0.0,7.0,2.0,26.0 +lb_00156,CCc1nc2ccccc2n1CCCCNc1cccc(C(F)(F)F)c1,C20H22F3N3,361.4,5.5,29.9,1.0,5.0,7.0,26.0 +lb_00157,CC.OB(O)Cc1nc2ccccc2n1Cc1ccc(C(F)(F)F)cc1C(F)(F)F,C19H19BF6N2O2,432.2,,58.3,2.0,9.0,4.0,30.0 +lb_00158,CCCCCCn1c(Nc2cccc(C(F)(F)F)c2)nc2ccccc21,C20H22F3N3,361.4,6.5,29.9,1.0,5.0,7.0,26.0 +lb_00159,CC(C)Cn1c(-c2ccccc2)nc2cc(C(F)(F)F)ccc21,C18H17F3N2,318.3,5.2,17.8,0.0,4.0,3.0,23.0 +lb_00160,Cn1c(C(F)(F)F)nc2ccccc21,C9H7F3N2,200.16,2.4,17.8,0.0,4.0,0.0,14.0 +lb_00161,Cc1nc2ccccc2n1C(F)F,C9H8F2N2,182.17,2.7,17.8,0.0,3.0,1.0,13.0 +lb_00162,FC(F)(F)c1cc(C2SCc3nc4ccccc4n32)cc(C(F)(F)F)c1,C17H10F6N2S,388.3,5.2,43.1,0.0,8.0,1.0,26.0 +lb_00163,CCN(CC)CCn1c(-c2ccccc2)nc2cc(C(F)(F)F)ccc21,C20H22F3N3,361.4,4.7,21.1,0.0,5.0,6.0,26.0 +lb_00164,CN(C)CCCn1c(-c2ccccc2)nc2cc(C(F)(F)F)ccc21,C19H20F3N3,347.4,4.3,21.1,0.0,5.0,5.0,25.0 +lb_00165,Cc1cc(C)cc(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)c1,C18H16F3N3O,347.3,4.1,46.9,1.0,5.0,3.0,25.0 +lb_00166,FC(F)(F)c1cccc(-c2nc3ccccc3n2-c2ccccc2)c1,C20H13F3N2,338.3,5.6,17.8,0.0,4.0,2.0,25.0 +lb_00167,FC(F)(F)c1ccccc1Cn1c(-c2ccccc2C(F)(F)F)nc2ccccc21,C22H14F6N2,420.3,6.5,17.8,0.0,7.0,3.0,30.0 +lb_00168,Cc1cccc(C)c1-n1c(-c2ccc(C(F)(F)F)cc2)nc2ccccc21,C22H17F3N2,366.4,6.4,17.8,0.0,4.0,2.0,27.0 +lb_00169,CC(C)(C)c1ccc(-c2nc3ccccc3n2Cc2ccccc2)cc1,C24H24N2,340.5,6.4,17.8,0.0,1.0,4.0,26.0 +lb_00170,Fc1cccc(Cn2c(C(F)(F)F)nc3ccccc32)c1,C15H10F4N2,294.25,4.1,17.8,0.0,5.0,2.0,21.0 +lb_00171,CCCn1c(-c2ccc(F)c(F)c2)nc2ccccc21,C16H14F2N2,272.29,4.1,17.8,0.0,3.0,3.0,20.0 +lb_00172,CCCn1c(-c2cccc(Br)c2)nc2ccccc21,C16H15BrN2,315.21,4.6,17.8,0.0,1.0,3.0,19.0 +lb_00173,CC(C)=CCC/C(C)=C/Cn1c(C)nc2ccccc21,C18H24N2,268.4,5.3,17.8,0.0,1.0,5.0,20.0 +lb_00174,Cn1c(Nc2cccc(C(F)(F)F)c2)nc2ccccc21,C15H12F3N3,291.27,4.2,29.9,1.0,5.0,2.0,21.0 +lb_00175,CCCn1c(-c2ccccc2)nc2ccccc21,C16H16N2,236.31,3.9,17.8,0.0,1.0,3.0,18.0 +lb_00176,CN(C)CCn1c(NCc2cccc(C(F)(F)F)c2)nc2ccccc21,C19H21F3N4,362.4,4.1,33.1,1.0,6.0,6.0,26.0 +lb_00177,Nc1nonc1-c1nc2ccccc2n1Cc1cccc(C(F)(F)F)c1,C17H12F3N5O,359.30,3.1,82.8,1.0,8.0,3.0,26.0 +lb_00178,FC(F)(F)c1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1,C20H20F3N3,359.4,4.3,21.1,0.0,5.0,4.0,26.0 +lb_00179,Cc1ccccc1N1CCN(c2nc3ccccc3n2CC(F)(F)F)CC1,C20H21F3N4,374.4,4.9,24.3,0.0,6.0,3.0,27.0 +lb_00180,CC(C)(C)c1ccc(Cn2c(-c3ccc(F)cc3)nc3ccccc32)cc1,C24H23FN2,358.4,6.5,17.8,0.0,2.0,4.0,27.0 +lb_00181,CC(C)(C)c1ccc(Cn2c(-c3ccccc3F)nc3ccccc32)cc1,C24H23FN2,358.4,6.5,17.8,0.0,2.0,4.0,27.0 +lb_00182,CCCn1c(-c2cccc(C)c2)nc2cc(C(F)(F)F)ccc21,C18H17F3N2,318.3,5.2,17.8,0.0,4.0,3.0,23.0 +lb_00183,CCCn1c(-c2ccccc2F)nc2ccccc21,C16H15FN2,254.30,4.0,17.8,0.0,2.0,3.0,19.0 +lb_00184,CCCn1c(-c2cccc(C)c2)nc2ccccc21,C17H18N2,250.34,4.3,17.8,0.0,1.0,3.0,19.0 +lb_00185,Cc1ccc(Cn2c(C(C)(C)C)nc3ccccc32)cc1,C19H22N2,278.4,5.1,17.8,0.0,1.0,3.0,21.0 +lb_00186,Fc1ccc(Cn2c(C(F)(F)F)nc3ccccc32)cc1,C15H10F4N2,294.25,4.1,17.8,0.0,5.0,2.0,21.0 +lb_00187,CCCn1c(-c2ccc(F)cc2)nc2ccccc21,C16H15FN2,254.30,4.0,17.8,0.0,2.0,3.0,19.0 +lb_00188,Fc1ccccc1Cn1c(C(F)(F)F)nc2ccccc21,C15H10F4N2,294.25,4.1,17.8,0.0,5.0,2.0,21.0 +lb_00189,CCn1c(C(C)(C)C)nc2cc(C(F)(F)F)ccc21,C14H17F3N2,270.29,4.3,17.8,0.0,4.0,2.0,19.0 +lb_00190,FC(F)(F)c1nc2ccccc2n1Cc1ccc(Cl)cc1,C15H10ClF3N2,310.70,4.6,17.8,0.0,4.0,2.0,21.0 +lb_00191,FC(F)(F)c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1,C20H13F3N2,338.3,5.6,17.8,0.0,4.0,2.0,25.0 +lb_00192,CCCn1c(Cn2ccnc2-c2cccc(C(F)(F)F)c2)nc2ccccc21,C21H19F3N4,384.4,4.5,35.6,0.0,5.0,5.0,28.0 +lb_00193,CN(Cc1cc(F)cc(C(F)(F)F)c1)Cc1nc2ccccc2n1C,C18H17F4N3,351.3,3.8,21.1,0.0,6.0,4.0,25.0 +lb_00194,Cn1c(CN2CCC(c3ccc(C(F)(F)F)cc3)CC2)nc2ccccc21,C21H22F3N3,373.4,4.4,21.1,0.0,5.0,3.0,27.0 +lb_00195,CC1=CN(c2ccc(C(F)(F)F)cc2)C(n2c(C)nc3ccccc32)N=C1,C20H17F3N4,370.4,4.5,33.4,0.0,6.0,2.0,27.0 +lb_00196,OB(O)Cc1nc2ccccc2n1Cc1ccc(C(F)(F)F)cc1C(F)(F)F,C17H13BF6N2O2,402.1,,58.3,2.0,9.0,4.0,28.0 +lb_00197,Cc1nc2ccccc2n1C1N=CC=CN1c1ccc(C(F)(F)F)cc1,C19H15F3N4,356.3,4.2,33.4,0.0,6.0,2.0,26.0 +lb_00198,FC(F)(F)c1cccc(CN2CCN(Cc3nc4ccccc4n3Cc3ccccc3)CC2)c1,C27H27F3N4,464.5,5.1,24.3,0.0,6.0,6.0,34.0 +lb_00199,Cc1nc2ccccc2n1CC1CCN(Cc2cc(F)cc(F)c2)CC1,C21H23F2N3,355.4,4.3,21.1,0.0,4.0,4.0,26.0 +lb_00200,FC(F)(F)c1ccc2c(c1)nc(-c1ccccn1)n2CCc1ccccc1,C21H16F3N3,367.4,4.8,30.7,0.0,5.0,4.0,27.0 +lb_00201,Cc1nc2ccccc2n1CCCN(C)Cc1ccccc1,C19H23N3,293.4,3.7,21.1,0.0,2.0,6.0,22.0 +lb_00202,FC(F)(F)c1ccc2c(c1)nc(-c1ccccc1)n2Cc1ccccc1,C21H15F3N2,352.4,5.6,17.8,0.0,4.0,3.0,26.0 +lb_00203,CC(C)c1ccc(Cn2c(C(F)(F)F)nc3ccccc32)cc1,C18H17F3N2,318.3,5.1,17.8,0.0,4.0,3.0,23.0 +lb_00204,CC(C)(C)c1nc2ccccc2n1Cc1ccccc1,C18H20N2,264.4,4.7,17.8,0.0,1.0,3.0,20.0 +lb_00205,CC.OB(O)CCc1nc2ccccc2n1Cc1ccc(C(F)(F)F)cc1C(F)(F)F,C20H21BF6N2O2,446.2,,58.3,2.0,9.0,5.0,31.0 +lb_00206,Cl.Cl.FC(F)(F)c1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1,C20H22Cl2F3N3,432.3,,21.1,2.0,5.0,4.0,28.0 +lb_00207,Cc1ccccc1-c1nc2cc(C(F)(F)F)ccc2n1CC(C)C,C19H19F3N2,332.4,5.6,17.8,0.0,4.0,3.0,24.0 +lb_00208,Cc1ccccc1-c1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1,C22H17F3N2,366.4,5.9,17.8,0.0,4.0,3.0,27.0 +lb_00209,Cc1ccc(-c2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)cc1,C22H17F3N2,366.4,5.9,17.8,0.0,4.0,3.0,27.0 +lb_00210,CN(CCN(C)c1nc2ccccc2n1Cc1ccc(F)cc1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,C28H26F7N5O,581.5,6.2,53.4,1.0,10.0,8.0,41.0 +lb_00211,CC(C)(C)c1ccc(Cn2c(N)nc3ccccc32)cc1,C18H21N3,279.4,4.2,43.8,1.0,2.0,3.0,21.0 +lb_00212,Nc1nc2ccccc2n1Cc1ccccc1C(F)(F)F,C15H12F3N3,291.27,3.6,43.8,1.0,5.0,2.0,21.0 +lb_00213,Nc1ccc(Cn2c(C(F)(F)F)nc3ccccc32)cc1,C15H12F3N3,291.27,3.3,43.8,1.0,5.0,2.0,21.0 +lb_00214,FC(F)(F)Cn1c(C#Cc2ccccc2)nc2ccccc21,C17H11F3N2,300.28,4.5,17.8,0.0,4.0,3.0,22.0 +lb_00215,FC(F)(F)c1nc2ccccc2n1Cc1cccc2ccccc12,C19H13F3N2,326.3,5.2,17.8,0.0,4.0,2.0,24.0 +lb_00216,CC(C)(C)c1nc2ccccc2n1Cc1ccc(F)cc1,C18H19FN2,282.4,4.8,17.8,0.0,2.0,3.0,21.0 +lb_00217,CC(C)(C)c1nc2ccccc2n1Cc1ccccc1F,C18H19FN2,282.4,4.8,17.8,0.0,2.0,3.0,21.0 +lb_00218,FC(F)(F)c1nc2ccccc2n1CCCc1ccccc1,C17H15F3N2,304.31,4.6,17.8,0.0,4.0,4.0,22.0 +lb_00219,FC(F)(F)c1nc2ccccc2n1Cc1ccccc1Cl,C15H10ClF3N2,310.70,4.6,17.8,0.0,4.0,2.0,21.0 +lb_00220,CC(C)Cc1ccc(C(C)c2nc3ccccc3n2Cc2ccc(C(F)(F)F)cc2)cc1,C27H27F3N2,436.5,7.8,17.8,0.0,4.0,6.0,32.0 +lb_00221,Cc1nc2ccccc2n1C1N=CC(F)=CN1c1ccc(C(F)(F)F)cc1,C19H14F4N4,374.3,4.5,33.4,0.0,7.0,2.0,27.0 +lb_00222,CCN(CC)CCCn1c(-c2ccccc2)nc2cc(C(F)(F)F)ccc21,C21H24F3N3,375.4,5.0,21.1,0.0,5.0,7.0,27.0 +lb_00223,Cc1ccccc1-c1nc2cc(C(F)(F)F)ccc2n1CCCN(C)C,C20H22F3N3,361.4,4.7,21.1,0.0,5.0,5.0,26.0 +lb_00224,CCN(CC)CCn1c(-c2ccccc2C)nc2cc(C(F)(F)F)ccc21,C21H24F3N3,375.4,5.1,21.1,0.0,5.0,6.0,27.0 +lb_00225,CC(C)(C)c1cc(NC(=O)Cn2c(-c3ccccc3)nc3ccccc32)cc(C(C)(C)C)c1,C29H33N3O,439.6,7.4,46.9,1.0,2.0,6.0,33.0 +lb_00226,Cc1ccc(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)cc1C,C18H16F3N3O,347.3,4.1,46.9,1.0,5.0,3.0,25.0 +lb_00227,CCn1c(-c2ccccc2)nc2ccccc21,C15H14N2,222.28,3.4,17.8,0.0,1.0,2.0,17.0 +lb_00228,Cc1cccc(Cn2c(CC(C)(C)C)nc3ccccc32)c1,C20H24N2,292.4,5.4,17.8,0.0,1.0,4.0,22.0 +lb_00229,Cc1cccc(Cn2c(C(C)(C)N)nc3ccccc32)c1,C18H21N3,279.4,2.9,43.8,1.0,2.0,3.0,21.0 +lb_00230,Cc1ccc(C(F)(F)F)cc1Cn1cnc2ccccc21,C16H13F3N2,290.28,4.3,17.8,0.0,4.0,2.0,21.0 +lb_00231,CCn1c(Cc2ccccc2)nc2cc(C(F)(F)F)ccc21,C17H15F3N2,304.31,4.6,17.8,0.0,4.0,3.0,22.0 +lb_00232,CCn1c(-c2cccc(C)c2)nc2cc(C(F)(F)F)ccc21,C17H15F3N2,304.31,4.7,17.8,0.0,4.0,2.0,22.0 +lb_00233,CCCn1c(-c2ccc(C)cc2)nc2cc(C(F)(F)F)ccc21,C18H17F3N2,318.3,5.2,17.8,0.0,4.0,3.0,23.0 +lb_00234,CCc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1,C17H15F3N2,304.31,4.8,17.8,0.0,4.0,3.0,22.0 +lb_00235,CCCn1c(-c2cccc(C(F)(F)F)c2)nc2cc3nc(-c4cccc(C(F)(F)F)c4)n(CCC)c3cc21,C28H24F6N4,530.5,7.7,35.6,0.0,8.0,6.0,38.0 +lb_00236,CCCCn1c(-c2cccc(Br)c2)nc2ccccc21,C17H17BrN2,329.2,5.0,17.8,0.0,1.0,4.0,20.0 +lb_00237,CCCCn1c(-c2ccccc2)nc2ccccc21,C17H18N2,250.34,4.3,17.8,0.0,1.0,4.0,19.0 +lb_00238,CCn1c(-c2ccc(F)cc2)nc2ccccc21,C15H13FN2,240.27,3.5,17.8,0.0,2.0,2.0,18.0 +lb_00239,Cn1c(-c2ccccc2C(F)(F)F)nc2ccccc21,C15H11F3N2,276.26,4.0,17.8,0.0,4.0,1.0,20.0 +lb_00240,CCn1c(C)nc2cc(-c3ccccc3)ccc21,C16H16N2,236.31,3.8,17.8,0.0,1.0,2.0,18.0 +lb_00241,Cn1c(-c2cc(-c3nc4ccccc4n3C)cc(C(C)(C)C)c2)nc2ccccc21,C26H26N4,394.5,6.0,35.6,0.0,2.0,3.0,30.0 +lb_00242,CCn1c(-c2ccccc2F)nc2ccccc21,C15H13FN2,240.27,3.5,17.8,0.0,2.0,2.0,18.0 +lb_00243,C=CCn1c(C(C)(C)C)nc2ccccc21,C14H18N2,214.31,3.9,17.8,0.0,1.0,3.0,16.0 +lb_00244,Nc1nc2ccccc2n1-c1ccc(C(F)(F)F)cc1,C14H10F3N3,277.24,3.5,43.8,1.0,5.0,1.0,20.0 +lb_00245,CC(F)(F)c1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1,C21H23F2N3,355.4,4.2,21.1,0.0,4.0,5.0,26.0 +lb_00246,Cc1cccc(-c2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)c1,C22H17F3N2,366.4,5.9,17.8,0.0,4.0,3.0,27.0 +lb_00247,Cc1nc2ccccc2n1Cc1ccc2c(c1)CCc1ccccc1N2,C23H21N3,339.4,5.3,29.9,1.0,2.0,2.0,26.0 +lb_00248,Cn1c(/C=C/c2ccc(C(F)(F)F)cc2)nc2ccccc21,C17H13F3N2,302.29,4.6,17.8,0.0,4.0,2.0,22.0 +lb_00249,Cc1ccccc1Cn1c(CC(C)(C)C)nc2ccccc21,C20H24N2,292.4,5.4,17.8,0.0,1.0,4.0,22.0 +lb_00250,Cn1c(C=Cc2ccc(C(F)(F)F)cc2)nc2ccccc21,C17H13F3N2,302.29,4.6,17.8,0.0,4.0,2.0,22.0 +lb_00251,Cn1c(C#Cc2ccc(C(F)(F)F)cc2)nc2ccccc21,C17H11F3N2,300.28,4.4,17.8,0.0,4.0,2.0,22.0 +lb_00252,CCCCn1c(-c2ccc(F)cc2)nc2ccccc21,C17H17FN2,268.33,4.4,17.8,0.0,2.0,4.0,20.0 +lb_00253,CC(F)(F)c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1,C21H16F2N2,334.4,5.6,17.8,0.0,3.0,3.0,25.0 +lb_00254,Cc1cccc(-c2nc3ccccc3n2CCc2ccccc2)c1,C22H20N2,312.4,5.4,17.8,0.0,1.0,4.0,24.0 +lb_00255,CCCCn1c(-c2c(F)cccc2F)nc2ccccc21,C17H16F2N2,286.32,4.5,17.8,0.0,3.0,4.0,21.0 +lb_00256,FC(F)(F)c1nc2ccccc2n1C/C=C/c1ccccc1,C17H13F3N2,302.29,4.6,17.8,0.0,4.0,3.0,22.0 +lb_00257,CCCCn1c(-c2ccccc2F)nc2ccccc21,C17H17FN2,268.33,4.4,17.8,0.0,2.0,4.0,20.0 +lb_00258,CCCn1c(C(C)(C)C)nc2cc(C(F)(F)F)ccc21,C15H19F3N2,284.32,4.9,17.8,0.0,4.0,3.0,20.0 +lb_00259,CCCn1c(-c2ccc(C(F)(F)F)cc2)nc2cc3nc(-c4ccc(C(F)(F)F)cc4)n(CCC)c3cc21,C28H24F6N4,530.5,7.7,35.6,0.0,8.0,6.0,38.0 +lb_00260,Cc1nc2ccccc2n1CC1CCN(Cc2ccc(F)c(F)c2)CC1,C21H23F2N3,355.4,4.3,21.1,0.0,4.0,4.0,26.0 +lb_00261,CC(C)(C)c1ccc(N2CCC(Cn3c(C(F)(F)F)nc4ccccc43)CC2)cc1,C24H28F3N3,415.5,6.5,21.1,0.0,5.0,4.0,30.0 +lb_00262,Cc1nc2ccccc2n1CC1CCN(Cc2cccc(F)c2)CC1,C21H24FN3,337.4,4.2,21.1,0.0,3.0,4.0,25.0 +lb_00263,CCCCN(CCCC)CCCn1c(-c2ccccc2)nc2cc(C(F)(F)F)ccc21,C25H32F3N3,431.5,6.8,21.1,0.0,5.0,11.0,31.0 +lb_00264,Cc1nc2cc(C(F)(F)F)ccc2n1C[C@@H]1CCCN2CCCC[C@H]12,C19H24F3N3,351.4,4.4,21.1,0.0,5.0,2.0,25.0 +lb_00265,CC(C)(N)c1nc2ccccc2n1Cc1cccc(F)c1,C17H18FN3,283.34,2.6,43.8,1.0,3.0,3.0,21.0 +lb_00266,Cn1c(C(F)(F)c2ccccc2)nc2ccccc21,C15H12F2N2,258.27,3.6,17.8,0.0,3.0,2.0,19.0 +lb_00267,Nc1nc2ccccc2n1Cc1ccc(F)cc1C(F)(F)F,C15H11F4N3,309.26,3.7,43.8,1.0,6.0,2.0,22.0 +lb_00268,CN1CCC(n2c(C(N)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc3ccccc32)CC1,C23H24F6N4,470.5,4.6,47.1,1.0,9.0,4.0,33.0 +lb_00269,CC(C)c1nc2ccccc2n1-c1ccc(C(F)(F)F)cc1C(F)(F)F,C18H14F6N2,372.3,6.0,17.8,0.0,7.0,2.0,26.0 +lb_00270,CCCn1c(Nc2ccccc2C(F)(F)F)nc2ccccc21,C17H16F3N3,319.32,5.0,29.9,1.0,5.0,4.0,23.0 +lb_00271,CCCn1c(-c2ccc(F)cc2)nc2cc(C(F)(F)F)ccc21,C17H14F4N2,322.30,4.9,17.8,0.0,5.0,3.0,23.0 +lb_00272,CCC(c1ccccc1)c1nc2cc(C(F)(F)F)ccc2n1CC,C19H19F3N2,332.4,5.3,17.8,0.0,4.0,4.0,24.0 +lb_00273,CC(C)c1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1,C18H17F3N2,318.3,5.1,17.8,0.0,4.0,3.0,23.0 +lb_00274,CCCn1c(-c2ccc(F)c(N)c2)nc2ccccc21,C16H16FN3,269.32,3.3,43.8,1.0,3.0,3.0,20.0 +lb_00275,CCCn1c(-c2cc(N)ccc2F)nc2ccccc21,C16H16FN3,269.32,3.3,43.8,1.0,3.0,3.0,20.0 +lb_00276,CCCn1c(-c2cc(N)c(F)cc2F)nc2ccccc21,C16H15F2N3,287.31,3.4,43.8,1.0,4.0,3.0,21.0 +lb_00277,CCCn1c(-c2ccc(N)c(F)c2)nc2ccccc21,C16H16FN3,269.32,3.3,43.8,1.0,3.0,3.0,20.0 +lb_00278,CCC(c1ccccc1)c1nc2ccccc2n1-c1ccc(C(F)(F)F)cc1,C23H19F3N2,380.4,6.6,17.8,0.0,4.0,4.0,28.0 +lb_00279,CC(C)n1c(C(F)(F)F)nc2ccccc21,C11H11F3N2,228.21,3.1,17.8,0.0,4.0,1.0,16.0 +lb_00280,CN(CCN(C)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1nc2ccccc2n1Cc1ccc(F)cc1,C29H28F7N5O,595.6,5.6,53.4,1.0,10.0,9.0,42.0 +lb_00281,Cc1nc2ccccc2n1Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1,C21H25BN2O2,348.2,,36.3,0.0,3.0,3.0,26.0 +lb_00282,Cn1c(CN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)nc2ccccc21,C21H23F3N4,388.4,3.5,24.3,0.0,6.0,4.0,28.0 +lb_00283,Cc1nc2ccccc2n1CC1CCN(Cc2ccc(F)cc2)CC1,C21H24FN3,337.4,4.2,21.1,0.0,3.0,4.0,25.0 +lb_00284,Cc1nc2ccccc2n1CC1CCN(Cc2ccccc2F)CC1,C21H24FN3,337.4,4.2,21.1,0.0,3.0,4.0,25.0 +lb_00285,CCCCCn1c(-c2ccccc2)nc2ccccc21,C18H20N2,264.4,4.8,17.8,0.0,1.0,5.0,20.0 +lb_00286,CC(c1ccccc1)n1c(C(F)(F)F)nc2ccccc21,C16H13F3N2,290.28,4.4,17.8,0.0,4.0,2.0,21.0 +lb_00287,CC(C)CCn1c(-c2ccccc2)nc2ccccc21,C18H20N2,264.4,4.7,17.8,0.0,1.0,4.0,20.0 +lb_00288,CC(C)(C)Cc1nc2ccccc2n1Cc1ccccc1,C19H22N2,278.4,5.1,17.8,0.0,1.0,4.0,21.0 +lb_00289,C[C@@H](c1ccccc1)n1c(C(F)(F)F)nc2ccccc21,C16H13F3N2,290.28,4.4,17.8,0.0,4.0,2.0,21.0 +lb_00290,C[C@H](c1ccccc1)n1c(C(F)(F)F)nc2ccccc21,C16H13F3N2,290.28,4.4,17.8,0.0,4.0,2.0,21.0 +lb_00291,COCCn1c(-c2ccccc2)nc2ccccc21,C16H16N2O,252.31,2.9,27.1,0.0,2.0,4.0,19.0 +lb_00292,CCn1c(N)nc2cc(C(F)(F)F)ccc21,C10H10F3N3,229.20,2.3,43.8,1.0,5.0,1.0,16.0 +lb_00293,Cn1c(CN2CCC(c3cccc(C(F)(F)F)c3)CC2)nc2ccccc21,C21H22F3N3,373.4,4.4,21.1,0.0,5.0,3.0,27.0 +lb_00294,Cc1nc2ccccc2n1CC1CCN(Cc2cc(F)ccc2F)CC1,C21H23F2N3,355.4,4.3,21.1,0.0,4.0,4.0,26.0 +lb_00295,CCN(CC)CCCn1c(-c2ccccc2C)nc2cc(C(F)(F)F)ccc21,C22H26F3N3,389.5,5.4,21.1,0.0,5.0,7.0,28.0 +lb_00296,O[B-](O)(O)CSc1nc2ccccc2n1Cc1ccc(C(F)(F)F)cc1C(F)(F)F,C17H14BF6N2O3S-,451.2,,104.0,3.0,12.0,5.0,30.0 +lb_00297,CCCCCn1c(-c2cccc(C)c2)nc2ccccc21,C19H22N2,278.4,5.2,17.8,0.0,1.0,5.0,21.0 +lb_00298,Cc1cccc(-c2nc3ccccc3n2CCC(C)C)c1,C19H22N2,278.4,5.1,17.8,0.0,1.0,4.0,21.0 +lb_00299,FC(F)(F)c1nc2ccccc2n1CCC1CCCCC1,C16H19F3N2,296.33,5.4,17.8,0.0,4.0,3.0,21.0 +lb_00300,CC(C)(C)Cc1nc2ccccc2n1Cc1ccc(F)cc1,C19H21FN2,296.4,5.2,17.8,0.0,2.0,4.0,22.0 +lb_00301,CC(C)CCn1c(-c2ccc(F)cc2)nc2ccccc21,C18H19FN2,282.4,4.8,17.8,0.0,2.0,4.0,21.0 +lb_00302,CN(C)c1ccc(-c2nc3ccccc3n2CCF)cc1,C17H18FN3,283.34,3.5,21.1,0.0,3.0,4.0,21.0 +lb_00303,CCCCCn1c(-c2c(F)cccc2F)nc2ccccc21,C18H18F2N2,300.3,5.0,17.8,0.0,3.0,5.0,22.0 +lb_00304,Cc1ccc2c(c1)nc(C(F)(F)F)n2Cc1ccccc1,C16H13F3N2,290.28,4.3,17.8,0.0,4.0,2.0,21.0 +lb_00305,CCc1ccc(-c2ccc(-c3nc4ccccc4n3CCF)cc2)cc1,C23H21FN2,344.4,5.8,17.8,0.0,2.0,5.0,26.0 +lb_00306,CCCCCn1c(-c2ccc(F)cc2)nc2ccccc21,C18H19FN2,282.4,4.9,17.8,0.0,2.0,5.0,21.0 +lb_00307,CCCCCn1c(-c2ccccc2F)nc2ccccc21,C18H19FN2,282.4,4.9,17.8,0.0,2.0,5.0,21.0 +lb_00308,CC(C)CCn1c(-c2ccccc2F)nc2ccccc21,C18H19FN2,282.4,4.8,17.8,0.0,2.0,4.0,21.0 +lb_00309,CCn1c(-c2ccc(C)cc2)nc2cc(C(F)(F)F)ccc21,C17H15F3N2,304.31,4.6,17.8,0.0,4.0,2.0,22.0 +lb_00310,CC(C)Cn1c(C(C)(C)C)nc2cc(C(F)(F)F)ccc21,C16H21F3N2,298.35,5.3,17.8,0.0,4.0,3.0,21.0 +lb_00311,CC(C)(O)c1nc2ccccc2n1Cc1ccccc1F,C17H17FN2O,284.33,2.9,38.1,1.0,3.0,3.0,21.0 +lb_00312,CC(C)(O)c1nc2ccccc2n1Cc1ccc(F)cc1,C17H17FN2O,284.33,2.9,38.1,1.0,3.0,3.0,21.0 +lb_00313,CC(F)(F)c1nc2ccccc2n1CC1CCC(F)(F)CC1,C16H18F4N2,314.32,4.3,17.8,0.0,5.0,3.0,22.0 +lb_00314,CC(C)c1cccc(C(C)C)c1-n1c(-c2ccc(C(F)(F)F)cc2)nc2ccccc21,C26H25F3N2,422.5,7.9,17.8,0.0,4.0,4.0,31.0 +lb_00315,CCC(C)c1ccc(Cn2c(C(F)(F)F)nc3ccccc32)cc1,C19H19F3N2,332.4,5.6,17.8,0.0,4.0,4.0,24.0 +lb_00316,N#Cc1cccc(Cn2c(C(F)(F)F)nc3ccccc32)c1,C16H10F3N3,301.27,3.7,41.6,0.0,5.0,2.0,22.0 +lb_00317,Cn1c(CN2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)nc2ccccc21,C21H23F3N4,388.4,3.5,24.3,0.0,6.0,4.0,28.0 +lb_00318,CCCn1c(Cc2ccccc2)nc2cc(C(F)(F)F)ccc21,C18H17F3N2,318.3,5.1,17.8,0.0,4.0,4.0,23.0 +lb_00319,CCCc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1,C18H17F3N2,318.3,5.1,17.8,0.0,4.0,4.0,23.0 +lb_00320,FC(F)(F)c1cccc(Cn2c3ccccc3c3nc4ccccc4nc32)c1,C22H14F3N3,377.4,5.2,30.7,0.0,5.0,2.0,28.0 +lb_00321,CCn1c(-c2ccc(C)cc2)nc2ccccc21,C16H16N2,236.31,3.8,17.8,0.0,1.0,2.0,18.0 +lb_00322,c1ccc(CCn2c(-c3ccccc3)nc3ccccc32)cc1,C21H18N2,298.4,5.0,17.8,0.0,1.0,4.0,23.0 +lb_00323,Cc1cccc(Cn2c(C(C)(C)N)nc3cc(C(F)(F)F)ccc32)c1,C19H20F3N3,347.4,3.8,43.8,1.0,5.0,3.0,25.0 +lb_00324,Cc1ccc(-c2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)c(C)c1,C23H19F3N2,380.4,6.3,17.8,0.0,4.0,3.0,28.0 +lb_00325,Cc1nc2ccccc2n1CCNCc1cccc(C#N)c1,C18H18N4,290.4,2.6,53.6,1.0,3.0,5.0,22.0 +lb_00326,CN(C)CCn1c(Cn2nc3ccccc3n2)nc2cc(C(F)(F)F)ccc21,C19H19F3N6,388.4,3.7,51.8,0.0,7.0,5.0,28.0 +lb_00327,Cn1c(-c2cccc(C(C)(C)C)c2)nc2ccccc21,C18H20N2,264.4,4.8,17.8,0.0,1.0,2.0,20.0 +lb_00328,CC(C)(C)Cc1nc2ccccc2n1CCc1ccccc1,C20H24N2,292.4,5.4,17.8,0.0,1.0,5.0,22.0 +lb_00329,CCCCCCCn1c(-c2ccccc2)nc2ccccc21,C20H24N2,292.4,5.9,17.8,0.0,1.0,7.0,22.0 +lb_00330,CCCCCCn1c(-c2ccccc2)nc2ccccc21,C19H22N2,278.4,5.4,17.8,0.0,1.0,6.0,21.0 +lb_00331,CCCCn1c(-c2ccc(C)cc2)nc2ccccc21,C18H20N2,264.4,4.7,17.8,0.0,1.0,4.0,20.0 +lb_00332,CCCCCCCCCCCCn1c(-c2ccccc2)nc2ccccc21,C25H34N2,362.5,8.6,17.8,0.0,1.0,12.0,27.0 +lb_00333,CCCCn1c(-c2ccccc2C)nc2ccccc21,C18H20N2,264.4,4.7,17.8,0.0,1.0,4.0,20.0 +lb_00334,Cn1c(-c2ccccc2)nc2cc(C(F)(F)F)ccc21,C15H11F3N2,276.26,4.0,17.8,0.0,4.0,1.0,20.0 +lb_00335,C=CCn1c(CC(C)(C)C)nc2ccccc21,C15H20N2,228.33,4.2,17.8,0.0,1.0,4.0,17.0 +lb_00336,CCCn1c(-c2ccc(N)cc2)nc2ccccc21,C16H17N3,251.33,3.2,43.8,1.0,2.0,3.0,19.0 +lb_00337,CC1(CC(F)F)Cn2c(nc3ccccc32)-c2ccc(C(F)(F)F)cc21,C19H15F5N2,366.3,5.5,17.8,0.0,6.0,2.0,26.0 +lb_00338,CCCCN(CCCC)CCCn1c(-c2ccccc2C)nc2cc(C(F)(F)F)ccc21,C26H34F3N3,445.6,7.2,21.1,0.0,5.0,11.0,32.0 +lb_00339,CC(C)(C)c1ccc(Cn2c(Cc3ccccc3)nc3ccccc32)cc1,C25H26N2,354.5,6.7,17.8,0.0,1.0,5.0,27.0 +lb_00340,FC(F)(F)c1ccc([C@H]2Cc3nc4ccccc4n3C2)cc1,C17H13F3N2,302.29,4.1,17.8,0.0,4.0,1.0,22.0 +lb_00341,CN(C)c1ccc(-c2ccc(-c3nc4ccccc4n3CCF)cc2)cc1,C23H22FN3,359.4,5.1,21.1,0.0,3.0,5.0,27.0 +lb_00342,CC(C)(C)c1nc2ccccc2n1CC1CCC(F)CC1,C18H25FN2,288.4,5.0,17.8,0.0,2.0,3.0,21.0 +lb_00343,CCCCCCCCCCCCCCCCCCn1c(-c2ccc(F)cc2)nc2ccccc21,C31H45FN2,464.7,12.0,17.8,0.0,2.0,18.0,34.0 +lb_00344,CCCCCCCCCCCCCCCCn1c(-c2ccc(F)cc2)nc2ccccc21,C29H41FN2,436.6,10.9,17.8,0.0,2.0,16.0,32.0 +lb_00345,CCCCCCCCCCCCn1c(-c2ccc(F)cc2)nc2ccccc21,C25H33FN2,380.5,8.7,17.8,0.0,2.0,12.0,28.0 +lb_00346,CCCCCCCCCCCn1c(-c2ccc(F)cc2)nc2ccccc21,C24H31FN2,366.5,8.2,17.8,0.0,2.0,11.0,27.0 +lb_00347,CCCCCCCCCCn1c(-c2ccc(F)cc2)nc2ccccc21,C23H29FN2,352.5,7.6,17.8,0.0,2.0,10.0,26.0 +lb_00348,CCCCCCCCCn1c(-c2ccc(F)cc2)nc2ccccc21,C22H27FN2,338.5,7.1,17.8,0.0,2.0,9.0,25.0 +lb_00349,CCCCCCCCn1c(-c2ccc(F)cc2)nc2ccccc21,C21H25FN2,324.4,6.6,17.8,0.0,2.0,8.0,24.0 +lb_00350,CCCCCCCn1c(-c2ccc(F)cc2)nc2ccccc21,C20H23FN2,310.4,6.0,17.8,0.0,2.0,7.0,23.0 +lb_00351,CCCCCCn1c(-c2ccc(F)cc2)nc2ccccc21,C19H21FN2,296.4,5.5,17.8,0.0,2.0,6.0,22.0 +lb_00352,CCCCCCCCCCCCCCCCCCn1c(-c2ccccc2F)nc2ccccc21,C31H45FN2,464.7,12.0,17.8,0.0,2.0,18.0,34.0 +lb_00353,CCCCCCCCCCCCCCCCn1c(-c2ccccc2F)nc2ccccc21,C29H41FN2,436.6,10.9,17.8,0.0,2.0,16.0,32.0 +lb_00354,CCCCCCCCCCCCn1c(-c2ccccc2F)nc2ccccc21,C25H33FN2,380.5,8.7,17.8,0.0,2.0,12.0,28.0 +lb_00355,CCCCCCCCCCCn1c(-c2ccccc2F)nc2ccccc21,C24H31FN2,366.5,8.2,17.8,0.0,2.0,11.0,27.0 +lb_00356,CCCCCCCCCCn1c(-c2ccccc2F)nc2ccccc21,C23H29FN2,352.5,7.6,17.8,0.0,2.0,10.0,26.0 +lb_00357,CCCCCCCCCn1c(-c2ccccc2F)nc2ccccc21,C22H27FN2,338.5,7.1,17.8,0.0,2.0,9.0,25.0 +lb_00358,CCCCCCCCn1c(-c2ccccc2F)nc2ccccc21,C21H25FN2,324.4,6.6,17.8,0.0,2.0,8.0,24.0 +lb_00359,CCCCCCCn1c(-c2ccccc2F)nc2ccccc21,C20H23FN2,310.4,6.0,17.8,0.0,2.0,7.0,23.0 +lb_00360,CCCCCCn1c(-c2ccccc2F)nc2ccccc21,C19H21FN2,296.4,5.5,17.8,0.0,2.0,6.0,22.0 +lb_00361,N#Cc1ccccc1Cn1c(C(F)(F)F)nc2ccccc21,C16H10F3N3,301.27,3.7,41.6,0.0,5.0,2.0,22.0 +lb_00362,FC(F)(F)c1ccc2c(c1)nc(Cc1ccccc1)n2Cc1ccccc1,C22H17F3N2,366.4,5.9,17.8,0.0,4.0,4.0,27.0 +lb_00363,CC(C)Cn1c(-c2cccc(Br)c2)nc2ccccc21,C17H17BrN2,329.2,5.1,17.8,0.0,1.0,3.0,20.0 +lb_00364,CC(C)(C)c1ccc(CCn2c(N)nc3ccccc32)cc1F,C19H22FN3,311.4,4.8,43.8,1.0,3.0,4.0,23.0 +lb_00365,CCCCn1c(Nc2ccccc2C(F)(F)F)nc2ccccc21,C18H18F3N3,333.4,5.4,29.9,1.0,5.0,5.0,24.0 +lb_00366,CCCCn1c(-c2ccc(F)cc2)nc2cc(C(F)(F)F)ccc21,C18H16F4N2,336.3,5.3,17.8,0.0,5.0,4.0,24.0 +lb_00367,N#Cc1ccc(F)c(Cn2c(C(F)(F)F)nc3ccccc32)c1,C16H9F4N3,319.26,3.8,41.6,0.0,6.0,2.0,23.0 +lb_00368,CCCn1c(C(CC)c2ccccc2)nc2cc(C(F)(F)F)ccc21,C20H21F3N2,346.4,5.8,17.8,0.0,4.0,5.0,25.0 +lb_00369,CCCn1c(-c2ccc(C)cc2C)nc2cc(C(F)(F)F)ccc21,C19H19F3N2,332.4,5.5,17.8,0.0,4.0,3.0,24.0 +lb_00370,CC(C)Cn1c(Cc2ccccc2)nc2cc(C(F)(F)F)ccc21,C19H19F3N2,332.4,5.5,17.8,0.0,4.0,4.0,24.0 +lb_00371,Cc1cccc(-c2nc3cc(C(F)(F)F)ccc3n2CC(C)C)c1,C19H19F3N2,332.4,5.6,17.8,0.0,4.0,3.0,24.0 +lb_00372,CNCc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1,C17H16F3N3,319.32,3.3,29.9,1.0,5.0,4.0,23.0 +lb_00373,Cc1nc2ccccc2n1CCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1,C29H34N4,438.6,5.5,24.3,0.0,3.0,8.0,33.0 +lb_00374,FC(F)(F)n1c(-c2ccccc2)nc2ccccc21,C14H9F3N2,262.23,4.2,17.8,0.0,4.0,1.0,19.0 +lb_00375,Cc1ccccc1-n1c(C)nc2ccccc21,C15H14N2,222.28,3.9,17.8,0.0,1.0,1.0,17.0 +lb_00376,COCCCn1c(-c2cccc(C)c2)nc2cc(C(F)(F)F)ccc21,C19H19F3N2O,348.4,4.5,27.1,0.0,5.0,5.0,25.0 +lb_00377,Cc1cccc(-c2nc3cc(C(F)(F)F)ccc3n2CCCN(C)C)c1,C20H22F3N3,361.4,4.7,21.1,0.0,5.0,5.0,26.0 +lb_00378,CCN(CC)CCn1c(-c2cccc(C)c2)nc2cc(C(F)(F)F)ccc21,C21H24F3N3,375.4,5.1,21.1,0.0,5.0,6.0,27.0 +lb_00379,Cn1c([C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)nc2ccccc21,C20H20F3N3,359.4,4.1,21.1,0.0,5.0,3.0,26.0 +lb_00380,Cn1c(C2CCN(Cc3ccc(C(F)(F)F)cc3)C2)nc2ccccc21,C20H20F3N3,359.4,4.1,21.1,0.0,5.0,3.0,26.0 +lb_00381,Cc1cccc(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)c1C,C18H16F3N3O,347.3,4.1,46.9,1.0,5.0,3.0,25.0 +lb_00382,CC(C)Cn1c(-c2ccccc2)nc2ccccc21,C17H18N2,250.34,4.4,17.8,0.0,1.0,3.0,19.0 +lb_00383,Cc1cc2nc(C)n(Cc3ccccc3)c2cc1C,C17H18N2,250.34,4.2,17.8,0.0,1.0,2.0,19.0 +lb_00384,COCn1c(-c2ccccc2)nc2ccccc21,C15H14N2O,238.28,3.0,27.1,0.0,2.0,3.0,18.0 +lb_00385,FC(F)(F)c1cc(-c2nc3ccccc3[nH]2)cc(C(F)(F)F)c1,C15H8F6N2,330.23,5.0,28.7,1.0,7.0,1.0,23.0 +lb_00386,Cc1cccc(CN2CCC(Cn3c(C(F)(F)F)nc4ccccc43)CC2)c1,C22H24F3N3,387.4,4.9,21.1,0.0,5.0,4.0,28.0 +lb_00387,CC(C)(C)c1ccc(-c2nc3ccccc3n2C(F)F)cc1,C18H18F2N2,300.3,5.6,17.8,0.0,3.0,3.0,22.0 +lb_00388,Cc1cccc(-c2nc3ccccc3n2Cc2ccccc2)c1,C21H18N2,298.4,5.1,17.8,0.0,1.0,3.0,23.0 +lb_00389,Cc1cccc(Cn2c(N)nc3ccccc32)c1,C15H15N3,237.30,3.1,43.8,1.0,2.0,2.0,18.0 +lb_00390,Cc1cccc(Cn2c(-c3cccc(C)c3)nc3ccccc32)c1,C22H20N2,312.4,5.4,17.8,0.0,1.0,3.0,24.0 +lb_00391,Cc1cc2nc(C)n(Cc3ccccc3F)c2cc1C,C17H17FN2,268.33,4.3,17.8,0.0,2.0,2.0,20.0 +lb_00392,FC(c1nc2ccccc2n1Cc1ccccc1)C(F)(F)F,C16H12F4N2,308.27,4.4,17.8,0.0,5.0,3.0,22.0 +lb_00393,Cc1cc(C)c(Cn2c(-c3ccccc3)nc3ccccc32)c(C)c1,C23H22N2,326.4,5.8,17.8,0.0,1.0,3.0,25.0 +lb_00394,Fc1ccc(-c2nc3ccccc3n2CCc2ccccc2)cc1,C21H17FN2,316.4,5.1,17.8,0.0,2.0,4.0,24.0 +lb_00395,Fc1ccccc1-c1nc2ccccc2n1CCc1ccccc1,C21H17FN2,316.4,5.1,17.8,0.0,2.0,4.0,24.0 +lb_00396,CC(C)Cn1c(-c2ccc(F)cc2)nc2ccccc21,C17H17FN2,268.33,4.5,17.8,0.0,2.0,3.0,20.0 +lb_00397,CC(C)Cn1c(-c2ccccc2F)nc2ccccc21,C17H17FN2,268.33,4.5,17.8,0.0,2.0,3.0,20.0 +lb_00398,CCOCCn1c(-c2ccccc2)nc2ccccc21,C17H18N2O,266.34,3.3,27.1,0.0,2.0,5.0,20.0 +lb_00399,CCN(CC)CCn1c(C(C)(C)C)nc2ccccc21,C17H27N3,273.4,3.9,21.1,0.0,2.0,6.0,20.0 +lb_00400,Cc1nc2cc(N)ccc2n1Cc1ccccc1.Cl,C15H16ClN3,273.76,,43.8,2.0,2.0,2.0,19.0 +lb_00401,FC(F)(F)c1ccc2nc(-c3ccccc3)n(-c3ccccc3)c2c1,C20H13F3N2,338.3,5.6,17.8,0.0,4.0,2.0,25.0 +lb_00402,CC(C)CCn1c(CC(C)(C)C)nc2ccccc21,C17H26N2,258.4,5.1,17.8,0.0,1.0,5.0,19.0 +lb_00403,CCn1c(-c2ccccc2-c2ccc(F)cc2F)nc2ccccc21,C21H16F2N2,334.4,5.2,17.8,0.0,3.0,3.0,25.0 +lb_00404,Cc1cccc(-c2nc3ccccc3n2Cc2ccccc2F)c1,C21H17FN2,316.4,5.2,17.8,0.0,2.0,3.0,24.0 +lb_00405,Cc1cccc(-c2nc3ccccc3n2Cc2ccc(F)cc2)c1,C21H17FN2,316.4,5.2,17.8,0.0,2.0,3.0,24.0 +lb_00406,Cc1cc(C)c(Cn2c(-c3ccc(F)cc3)nc3ccccc32)c(C)c1,C23H21FN2,344.4,5.9,17.8,0.0,2.0,3.0,26.0 +lb_00407,Cc1cc(C)c(Cn2c(-c3ccccc3F)nc3ccccc32)c(C)c1,C23H21FN2,344.4,5.9,17.8,0.0,2.0,3.0,26.0 +lb_00408,Cc1cc(C)c(C)c(Cn2c(-c3ccc(F)cc3)nc3ccccc32)c1C,C24H23FN2,358.4,6.3,17.8,0.0,2.0,3.0,27.0 +lb_00409,Cc1cc(C)c(C)c(Cn2c(-c3ccccc3F)nc3ccccc32)c1C,C24H23FN2,358.4,6.3,17.8,0.0,2.0,3.0,27.0 +lb_00410,Cc1nc2ccccc2n1C(CN)c1cccc(F)c1,C16H16FN3,269.32,2.6,43.8,1.0,3.0,3.0,20.0 +lb_00411,COCc1nc2ccccc2n1Cc1ccc(C(C)(C)C)cc1,C20H24N2O,308.4,4.4,27.1,0.0,2.0,5.0,23.0 +lb_00412,CN(CCCN(C)c1nc2ccccc2n1Cc1ccc(F)cc1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,C29H28F7N5O,595.6,6.5,53.4,1.0,10.0,9.0,42.0 +lb_00413,Cn1c(CN2CCN(c3ccc(C(F)(F)F)cc3)CC2)nc2ccccc21,C20H21F3N4,374.4,3.8,24.3,0.0,6.0,3.0,27.0 +lb_00414,FC(F)(F)c1ccc2c(c1)nc(C1CC1)n2CCc1ccccc1,C19H17F3N2,330.3,4.8,17.8,0.0,4.0,4.0,24.0 +lb_00415,CN(C)c1cccc(-c2ccc(-c3nc4ccccc4n3CCF)cc2)c1,C23H22FN3,359.4,5.1,21.1,0.0,3.0,5.0,27.0 +lb_00416,CCCCCn1c(Nc2ccccc2C(F)(F)F)nc2ccccc21,C19H20F3N3,347.4,5.9,29.9,1.0,5.0,6.0,25.0 +lb_00417,CCC(c1ccccc1)c1nc2cc(C(F)(F)F)ccc2n1CC(C)C,C21H23F3N2,360.4,6.2,17.8,0.0,4.0,5.0,26.0 +lb_00418,CCC(C)c1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1,C19H19F3N2,332.4,5.4,17.8,0.0,4.0,4.0,24.0 +lb_00419,CCC(c1ccccc1)c1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1,C24H21F3N2,394.4,6.6,17.8,0.0,4.0,5.0,29.0 +lb_00420,Cc1nc2ccccc2n1CCCCN1CC=C(c2ccc(F)cc2)CC1,C23H26FN3,363.5,4.5,21.1,0.0,3.0,6.0,27.0 +lb_00421,Cn1c(CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)nc2ccccc21,C21H23F3N4,388.4,4.2,24.3,0.0,6.0,4.0,28.0 +lb_00422,Cc1ccccc1CN1CCC(Cn2c(C(F)(F)F)nc3ccccc32)CC1,C22H24F3N3,387.4,4.9,21.1,0.0,5.0,4.0,28.0 +lb_00423,Cc1ccc(CN2CCC(Cn3c(C(F)(F)F)nc4ccccc43)CC2)cc1,C22H24F3N3,387.4,4.9,21.1,0.0,5.0,4.0,28.0 +lb_00424,CCCn1c(CC)nc2ccccc21,C12H16N2,188.27,3.1,17.8,0.0,1.0,3.0,14.0 +lb_00425,Cn1c(C(F)(F)C(F)(F)F)nc2ccccc21,C10H7F5N2,250.17,3.0,17.8,0.0,6.0,1.0,17.0 +lb_00426,Cn1c(CC(C)(C)C)nc2ccccc21,C13H18N2,202.30,3.5,17.8,0.0,1.0,2.0,15.0 +lb_00427,FC(F)(F)c1nc2ccccc2n1-c1ccccc1,C14H9F3N2,262.23,4.0,17.8,0.0,4.0,1.0,19.0 +lb_00428,Cc1ccc(C)c(CN2CCC(Cn3c(C(F)(F)F)nc4ccccc43)CC2)c1,C23H26F3N3,401.5,5.3,21.1,0.0,5.0,4.0,29.0 +lb_00429,Cc1ccc(Cn2c(N)nc3ccccc32)cc1,C15H15N3,237.30,2.9,43.8,1.0,2.0,2.0,18.0 +lb_00430,Cc1ccc(Cn2c(-c3ccc(C)cc3)nc3ccccc32)cc1,C22H20N2,312.4,5.4,17.8,0.0,1.0,3.0,24.0 +lb_00431,CCn1c(-c2ccc(N)cc2)nc2ccccc21,C15H15N3,237.30,2.7,43.8,1.0,2.0,2.0,18.0 +lb_00432,Cc1cccc(Cn2c(-c3ccccc3)nc3ccccc32)c1,C21H18N2,298.4,5.1,17.8,0.0,1.0,3.0,23.0 +lb_00433,CCCn1c(-c2ccc(N(C)C)cc2)nc2ccccc21,C18H21N3,279.4,4.1,21.1,0.0,2.0,4.0,21.0 +lb_00434,C=CCn1c(-c2cccc(C)c2)nc2ccccc21,C17H16N2,248.32,4.2,17.8,0.0,1.0,3.0,19.0 +lb_00435,FC(F)(F)c1cccc(Cn2cnc3ccccc32)c1,C15H11F3N2,276.26,3.9,17.8,0.0,4.0,2.0,20.0 +lb_00436,CCc1nc2ccccc2n1Cc1cccc(C)c1,C17H18N2,250.34,4.2,17.8,0.0,1.0,3.0,19.0 +lb_00437,Cc1ccccc1-c1nc2cc(C(F)(F)F)ccc2n1C,C16H13F3N2,290.28,4.3,17.8,0.0,4.0,1.0,21.0 +lb_00438,Cc1cc(C)c(C)c(Cn2c(CO)nc3ccccc32)c1C,C19H22N2O,294.4,3.6,38.1,1.0,2.0,3.0,22.0 +lb_00439,CCCCn1c(-c2ccc(Br)cc2)nc2ccccc21,C17H17BrN2,329.2,5.0,17.8,0.0,1.0,4.0,20.0 +lb_00440,CCCCn1c(-c2ccc(N)cc2)nc2ccccc21,C17H19N3,265.35,3.6,43.8,1.0,2.0,4.0,20.0 +lb_00441,FC(F)(F)c1cc(-c2cnc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2Cc2ccccc2)cc(C(F)(F)F)c1,C26H14F12N2,582.4,8.5,17.8,0.0,13.0,4.0,40.0 +lb_00442,CC(C)(C)c1nc2ccccc2n1CC1CCC(F)(F)CC1,C18H24F2N2,306.4,5.2,17.8,0.0,3.0,3.0,22.0 +lb_00443,Cc1cccc(Cn2c(-c3ccc(F)cc3)nc3ccccc32)c1,C21H17FN2,316.4,5.2,17.8,0.0,2.0,3.0,24.0 +lb_00444,Cc1cccc(Cn2c(-c3ccccc3F)nc3ccccc32)c1,C21H17FN2,316.4,5.2,17.8,0.0,2.0,3.0,24.0 +lb_00445,CCn1c(-c2ccc(C)cc2C)nc2cc(C(F)(F)F)ccc21,C18H17F3N2,318.3,5.0,17.8,0.0,4.0,2.0,23.0 +lb_00446,Cc1ccc(-c2nc3cc(C(F)(F)F)ccc3n2CC(C)C)cc1,C19H19F3N2,332.4,5.6,17.8,0.0,4.0,3.0,24.0 +lb_00447,Cc1cccc(Cn2c(-c3cccc(Br)c3)nc3ccccc32)c1,C21H17BrN2,377.3,5.8,17.8,0.0,1.0,3.0,24.0 +lb_00448,Cc1ccc2nc(-c3ccc(C(F)(F)F)cc3)n(Cc3cccc(C(F)(F)F)c3)c2c1,C23H16F6N2,434.4,6.8,17.8,0.0,7.0,3.0,31.0 +lb_00449,CCN(CC)CCCn1c(-c2cccc(C)c2F)nc2ccccc21,C21H26FN3,339.4,4.6,21.1,0.0,3.0,7.0,25.0 +lb_00450,CCN(CC)CCCn1c(-c2cccc(F)c2)nc2ccccc21,C20H24FN3,325.4,4.3,21.1,0.0,3.0,7.0,24.0 +lb_00451,CCCCCCn1c(Nc2ccccc2C(F)(F)F)nc2ccccc21,C20H22F3N3,361.4,6.5,29.9,1.0,5.0,7.0,26.0 +lb_00452,CCCCn1c(-c2ccc(F)c(F)c2)nc2cc(C(F)(F)F)ccc21,C18H15F5N2,354.3,5.4,17.8,0.0,6.0,4.0,25.0 +lb_00453,Cc1ccc(-c2nc3cc(C(F)(F)F)ccc3n2CCCN(C)C)cc1,C20H22F3N3,361.4,4.7,21.1,0.0,5.0,5.0,26.0 +lb_00454,CCN(CC)CCn1c(-c2ccc(C)cc2)nc2cc(C(F)(F)F)ccc21,C21H24F3N3,375.4,5.1,21.1,0.0,5.0,6.0,27.0 +lb_00455,CCn1c(Cc2cccc3ccccc23)nc2cc(C(F)(F)F)ccc21,C21H17F3N2,354.4,5.8,17.8,0.0,4.0,3.0,26.0 +lb_00456,CCN(CC)CCCn1c(-c2cccc(C)c2)nc2cc(C(F)(F)F)ccc21,C22H26F3N3,389.5,5.4,21.1,0.0,5.0,7.0,28.0 +lb_00457,CC(C)(C)c1cc(NC(=O)Cn2c(Cc3ccccc3)nc3ccccc32)cc(C(C)(C)C)c1,C30H35N3O,453.6,7.7,46.9,1.0,2.0,7.0,34.0 +lb_00458,NCc1ccc(-c2nc3ccccc3n2CCCN2CCCCC2)cc1C(F)(F)F,C23H27F3N4,416.5,4.0,47.1,1.0,6.0,6.0,30.0 +lb_00459,NCc1ccc(-c2nc3ccccc3n2CCCN2CCCCC2)c(C(F)(F)F)c1,C23H27F3N4,416.5,4.0,47.1,1.0,6.0,6.0,30.0 +lb_00460,CCN(CC)CCn1c(Cn2nnc3ccccc32)nc2cc(C(F)(F)F)ccc21,C21H23F3N6,416.4,3.9,51.8,0.0,7.0,7.0,30.0 +lb_00461,Cn1c(-c2cc(-c3nc4ccccc4n3C)cc(-c3nc4ccccc4n3C)c2)nc2ccccc21,C30H24N6,468.6,5.5,53.5,0.0,3.0,3.0,36.0 +lb_00462,c1ccc(Cn2c(-c3ccccc3)nc3ccccc32)cc1,C20H16N2,284.4,4.7,17.8,0.0,1.0,3.0,22.0 +lb_00463,Cc1nc2ccccc2n1C(C)c1ccccc1,C16H16N2,236.31,3.8,17.8,0.0,1.0,2.0,18.0 +lb_00464,FC(F)(F)c1ccc(-n2cnc3ccccc32)cc1,C14H9F3N2,262.23,4.0,17.8,0.0,4.0,1.0,19.0 +lb_00465,CN(CCCN(C)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1nc2ccccc2n1Cc1ccc(F)cc1,C30H30F7N5O,609.6,6.0,53.4,1.0,10.0,10.0,43.0 +lb_00466,Fc1cccc(F)c1Cn1c(-c2c(F)cccc2F)nc2ccccc21,C20H12F4N2,356.3,5.1,17.8,0.0,5.0,3.0,26.0 +lb_00467,C=C(C)Cn1c(-c2ccccc2)nc2ccccc21,C17H16N2,248.32,4.5,17.8,0.0,1.0,3.0,19.0 +lb_00468,Fc1ccc(Cn2c(-c3ccc(F)cc3)nc3ccccc32)cc1,C20H14F2N2,320.3,4.9,17.8,0.0,3.0,3.0,24.0 +lb_00469,Cc1ccccc1Cn1c(-c2ccccc2C)nc2ccccc21,C22H20N2,312.4,5.4,17.8,0.0,1.0,3.0,24.0 +lb_00470,CCc1nc2ccccc2n1Cc1ccccc1C,C17H18N2,250.34,4.2,17.8,0.0,1.0,3.0,19.0 +lb_00471,CCc1nc2ccccc2n1Cc1ccc(C)cc1,C17H18N2,250.34,4.2,17.8,0.0,1.0,3.0,19.0 +lb_00472,CCc1nc2ccccc2n1Cc1c(F)c(F)c(F)c(F)c1F,C16H11F5N2,326.26,4.4,17.8,0.0,6.0,3.0,23.0 +lb_00473,Cc1ccc(Cn2c(-c3ccccc3)nc3ccccc32)cc1,C21H18N2,298.4,5.1,17.8,0.0,1.0,3.0,23.0 +lb_00474,FC(F)(F)c1ccc(Cn2cnc3ccccc32)cc1,C15H11F3N2,276.26,3.9,17.8,0.0,4.0,2.0,20.0 +lb_00475,Cc1ccccc1Cn1c(N)nc2ccccc21.Cl,C15H16ClN3,273.76,,43.8,2.0,2.0,2.0,19.0 +lb_00476,Cc1nc2ccccc2n1-c1ccc(CN)cc1.Cl,C15H16ClN3,273.76,,43.8,2.0,2.0,2.0,19.0 +lb_00477,CCc1cccc(C(C)(C)c2nc3ccccc3n2C)c1,C19H22N2,278.4,5.1,17.8,0.0,1.0,3.0,21.0 +lb_00478,Cc1ccccc1-c1nc2ccccc2n1Cc1c(F)cccc1F,C21H16F2N2,334.4,5.3,17.8,0.0,3.0,3.0,25.0 +lb_00479,Cc1cccc(Cn2c(Cc3ccccc3)nc3ccccc32)c1,C22H20N2,312.4,5.4,17.8,0.0,1.0,4.0,24.0 +lb_00480,Fc1cccc(Cn2c(-c3cccc(F)c3)nc3ccccc32)c1,C20H14F2N2,320.3,4.9,17.8,0.0,3.0,3.0,24.0 +lb_00481,CCc1nc2ccccc2n1Cc1cccc(F)c1,C16H15FN2,254.30,4.0,17.8,0.0,2.0,3.0,19.0 +lb_00482,Cc1ccc(Cn2c(-c3ccc(F)cc3)nc3ccccc32)cc1,C21H17FN2,316.4,5.2,17.8,0.0,2.0,3.0,24.0 +lb_00483,Cc1ccccc1-c1nc2ccccc2n1Cc1ccccc1F,C21H17FN2,316.4,5.2,17.8,0.0,2.0,3.0,24.0 +lb_00484,Cc1ccccc1-c1nc2ccccc2n1Cc1ccc(F)cc1,C21H17FN2,316.4,5.2,17.8,0.0,2.0,3.0,24.0 +lb_00485,Cc1ccc(-c2nc3ccccc3n2Cc2ccccc2F)cc1,C21H17FN2,316.4,5.2,17.8,0.0,2.0,3.0,24.0 +lb_00486,Cc1ccc(-c2nc3ccccc3n2Cc2ccc(F)cc2)cc1,C21H17FN2,316.4,5.2,17.8,0.0,2.0,3.0,24.0 +lb_00487,C=C(C)Cn1c(-c2ccc(F)cc2)nc2ccccc21,C17H15FN2,266.31,4.6,17.8,0.0,2.0,3.0,20.0 +lb_00488,Cc1ccccc1Cn1c(-c2ccc(F)cc2)nc2ccccc21,C21H17FN2,316.4,5.2,17.8,0.0,2.0,3.0,24.0 +lb_00489,C=C(C)Cn1c(-c2ccccc2F)nc2ccccc21,C17H15FN2,266.31,4.6,17.8,0.0,2.0,3.0,20.0 +lb_00490,Cc1ccccc1Cn1c(-c2ccccc2F)nc2ccccc21,C21H17FN2,316.4,5.2,17.8,0.0,2.0,3.0,24.0 +lb_00491,Cc1ccc(Cn2c(-c3ccccc3F)nc3ccccc32)cc1,C21H17FN2,316.4,5.2,17.8,0.0,2.0,3.0,24.0 +lb_00492,Cn1c(Cc2ccccc2)nc2cc(C(F)(F)F)ccc21,C16H13F3N2,290.28,4.3,17.8,0.0,4.0,2.0,21.0 +lb_00493,CC(C)n1c(-c2ccccc2)nc2cc(C(F)(F)F)ccc21,C17H15F3N2,304.31,4.7,17.8,0.0,4.0,2.0,22.0 +lb_00494,Cc1nc2ccccc2n1C(CN)c1ccc(F)cc1,C16H16FN3,269.32,2.6,43.8,1.0,3.0,3.0,20.0 +lb_00495,Cc1nc2ccccc2n1C(CN)c1ccccc1F,C16H16FN3,269.32,2.6,43.8,1.0,3.0,3.0,20.0 +lb_00496,CCCn1c(-c2ccc(C#Cc3ccccc3)cc2)nc2ccccc21,C24H20N2,336.4,5.9,17.8,0.0,1.0,5.0,26.0 +lb_00497,FC(F)(F)c1cc(NCc2nc3ccccc3[nH]2)cc(C(F)(F)F)c1,C16H11F6N3,359.27,4.8,40.7,2.0,8.0,3.0,25.0 +lb_00498,CC(C)CCn1c(-c2ccc(N)cc2)nc2ccccc21,C18H21N3,279.4,4.0,43.8,1.0,2.0,4.0,21.0 +lb_00499,CCN(CC)CCCn1c(-c2ccccc2F)nc2ccccc21,C20H24FN3,325.4,4.3,21.1,0.0,3.0,7.0,24.0 +lb_00500,Cc1ccc(-c2nc3ccccc3n2Cc2ccccc2F)c(C)c1,C22H19FN2,330.4,5.5,17.8,0.0,2.0,3.0,25.0 +lb_00501,Cc1ccc(-c2nc3ccccc3n2Cc2ccc(F)cc2)c(C)c1,C22H19FN2,330.4,5.5,17.8,0.0,2.0,3.0,25.0 +lb_00502,Cc1ccc(C)c(Cn2c(-c3ccc(F)cc3)nc3ccccc32)c1,C22H19FN2,330.4,5.5,17.8,0.0,2.0,3.0,25.0 +lb_00503,Fc1ccc(-c2nc3ccccc3n2CCC2CCCCC2)cc1,C21H23FN2,322.4,6.2,17.8,0.0,2.0,4.0,24.0 +lb_00504,Fc1ccccc1-c1nc2ccccc2n1CCC1CCCCC1,C21H23FN2,322.4,6.2,17.8,0.0,2.0,4.0,24.0 +lb_00505,Cc1ccc(C)c(Cn2c(-c3ccccc3F)nc3ccccc32)c1,C22H19FN2,330.4,5.5,17.8,0.0,2.0,3.0,25.0 +lb_00506,CN(C)CCCn1c(C(C)(C)C)nc2cc(C(F)(F)F)ccc21,C17H24F3N3,327.4,4.4,21.1,0.0,5.0,5.0,23.0 +lb_00507,CCN(CC)CCn1c(C(C)(C)C)nc2cc(C(F)(F)F)ccc21,C18H26F3N3,341.4,4.7,21.1,0.0,5.0,6.0,24.0 +lb_00508,CCC(C)n1c(-c2ccccc2)nc2cc(C(F)(F)F)ccc21,C18H17F3N2,318.3,5.2,17.8,0.0,4.0,3.0,23.0 +lb_00509,FC(F)(F)c1cccc(C2SCc3nc4ccccc4n32)c1,C16H11F3N2S,320.3,4.3,43.1,0.0,5.0,1.0,22.0 +lb_00510,CC(C)(N)c1nc2cc(C(F)(F)F)ccc2n1Cc1cccc(F)c1,C18H17F4N3,351.3,3.5,43.8,1.0,6.0,3.0,25.0 +lb_00511,CCN(CC)CCCn1c(-c2cc(C)ccc2F)nc2ccccc21,C21H26FN3,339.4,4.6,21.1,0.0,3.0,7.0,25.0 +lb_00512,Cc1cccc(-c2nc3ccccc3n2CCCN2CCC(F)CC2)c1,C22H26FN3,351.5,4.7,21.1,0.0,3.0,5.0,26.0 +lb_00513,CCCn1c(Cc2cccc3ccccc23)nc2cc(C(F)(F)F)ccc21,C22H19F3N2,368.4,6.4,17.8,0.0,4.0,4.0,27.0 +lb_00514,CC(C)(C)c1ccc(Cn2c(-c3nonc3N)nc3ccccc32)cc1,C20H21N5O,347.4,3.9,82.8,1.0,5.0,4.0,26.0 +lb_00515,Cn1c(CCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)nc2ccccc21,C22H25F3N4,402.5,4.6,24.3,0.0,6.0,5.0,29.0 +lb_00516,Cc1nc2ccccc2n1C1N=CC=CN1c1ccc(C(F)(F)F)c(F)c1,C19H14F4N4,374.3,4.3,33.4,0.0,7.0,2.0,27.0 +lb_00517,CCc1nc2ccccc2n1C1=C(F)C=NCN1c1ccc(C(F)(F)F)cc1,C20H16F4N4,388.4,4.8,33.4,0.0,7.0,3.0,28.0 +lb_00518,CCCCN(CCCC)CCCn1c(-c2cccc(C)c2)nc2cc(C(F)(F)F)ccc21,C26H34F3N3,445.6,7.2,21.1,0.0,5.0,11.0,32.0 +lb_00519,Cn1c(NCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)nc2ccccc21,C21H24F3N5,403.4,4.3,36.3,1.0,7.0,5.0,29.0 +lb_00520,FC(F)(F)c1cc(Cc2nc3ccccc3n2C(CCc2ccccc2)c2nc3ccccc3[nH]2)cc(C(F)(F)F)c1,C32H24F6N4,578.5,8.7,46.5,1.0,8.0,7.0,42.0 +lb_00521,CC(=O)Nc1cccc(C2CCN(CCCn3c(-c4cccc(C(F)(F)F)c4)nc4ccccc43)CC2)c1,C30H31F3N4O,520.6,5.7,50.2,1.0,6.0,7.0,38.0 +lb_00522,CCc1nc2ccccc2n1Cc1ccccc1,C16H16N2,236.31,3.9,17.8,0.0,1.0,3.0,18.0 +lb_00523,Fc1ccc(Cn2c(F)nc3ccccc32)cc1,C14H10F2N2,244.24,3.6,17.8,0.0,3.0,2.0,18.0 +lb_00524,CCn1c(Cc2ccccc2)nc2ccccc21,C16H16N2,236.31,3.7,17.8,0.0,1.0,3.0,18.0 +lb_00525,Cc1nc2ccccc2n1/C=C\c1ccccc1,C16H14N2,234.29,3.9,17.8,0.0,1.0,2.0,18.0 +lb_00526,Cn1c(Cl)nc2cc(C(F)(F)F)ccc21,C9H6ClF3N2,234.60,3.3,17.8,0.0,4.0,0.0,15.0 +lb_00527,Cc1nc2ccccc2n1C1CCCCC1,C14H18N2,214.31,3.6,17.8,0.0,1.0,1.0,16.0 +lb_00528,CCc1nc2ccccc2n1CC(C)C,C13H18N2,202.30,3.5,17.8,0.0,1.0,3.0,15.0 +lb_00529,CCCCn1c(CC)nc2ccccc21,C13H18N2,202.30,3.5,17.8,0.0,1.0,4.0,15.0 +lb_00530,Fc1cccc(F)c1Cn1c(-c2ccccc2)nc2ccccc21,C20H14F2N2,320.3,4.9,17.8,0.0,3.0,3.0,24.0 +lb_00531,CCn1c(-c2ccc(N(C)C)cc2)nc2ccccc21,C17H19N3,265.35,3.5,21.1,0.0,2.0,3.0,20.0 +lb_00532,C=CCn1c(-c2ccc(C)cc2)nc2ccccc21,C17H16N2,248.32,4.2,17.8,0.0,1.0,3.0,19.0 +lb_00533,CCc1nc2ccccc2n1Cc1ccccc1F,C16H15FN2,254.30,4.0,17.8,0.0,2.0,3.0,19.0 +lb_00534,CCc1nc2ccccc2n1Cc1ccc(F)cc1,C16H15FN2,254.30,4.0,17.8,0.0,2.0,3.0,19.0 +lb_00535,Fc1ccccc1Cn1c(-c2ccccc2)nc2ccccc21,C20H15FN2,302.3,4.8,17.8,0.0,2.0,3.0,23.0 +lb_00536,Fc1cccc(F)c1-c1nc2ccccc2n1Cc1ccccc1,C20H14F2N2,320.3,4.9,17.8,0.0,3.0,3.0,24.0 +lb_00537,Fc1ccccc1Cn1c(-c2ccccc2F)nc2ccccc21,C20H14F2N2,320.3,4.9,17.8,0.0,3.0,3.0,24.0 +lb_00538,Fc1ccc(-c2nc3ccccc3n2Cc2ccccc2)cc1,C20H15FN2,302.3,4.8,17.8,0.0,2.0,3.0,23.0 +lb_00539,CCn1c(-c2ccc(C(C)C)cc2)nc2ccccc21,C18H20N2,264.4,4.5,17.8,0.0,1.0,3.0,20.0 +lb_00540,Cn1c(CC(C)(C)C)nc2cc(C(F)(F)F)ccc21,C14H17F3N2,270.29,4.3,17.8,0.0,4.0,2.0,19.0 +lb_00541,Cc1ccc(Cn2c(C(C)C)nc3ccccc32)cc1,C18H20N2,264.4,4.6,17.8,0.0,1.0,3.0,20.0 +lb_00542,CC(C)=CCn1c(-c2ccccc2)nc2ccccc21,C18H18N2,262.3,4.7,17.8,0.0,1.0,3.0,20.0 +lb_00543,Fc1ccc(Cn2c(-c3ccccc3)nc3ccccc32)cc1,C20H15FN2,302.3,4.8,17.8,0.0,2.0,3.0,23.0 +lb_00544,Fc1ccccc1-c1nc2ccccc2n1Cc1ccccc1,C20H15FN2,302.3,4.8,17.8,0.0,2.0,3.0,23.0 +lb_00545,Cc1ccc(Cn2c(CO)nc3ccccc32)cc1,C16H16N2O,252.31,2.5,38.1,1.0,2.0,3.0,19.0 +lb_00546,Cn1c(Nc2ccccc2C(F)(F)F)nc2ccccc21,C15H12F3N3,291.27,4.2,29.9,1.0,5.0,2.0,21.0 +lb_00547,CSc1nc2ccccc2n1Cc1ccc(C)cc1,C16H16N2S,268.4,4.2,43.1,0.0,2.0,3.0,19.0 +lb_00548,Cc1ccccc1Cn1c(CO)nc2ccccc21,C16H16N2O,252.31,2.5,38.1,1.0,2.0,3.0,19.0 +lb_00549,Fc1ccc(Cn2c(-c3ccc(F)cc3F)nc3ccccc32)c(F)c1,C20H12F4N2,356.3,5.1,17.8,0.0,5.0,3.0,26.0 +lb_00550,CC(C)(C)n1c(Cc2cccc(F)c2)nc2ccccc21,C18H19FN2,282.4,4.4,17.8,0.0,2.0,3.0,21.0 +lb_00551,CCC1CCC(n2c(C(F)(F)F)nc3ccccc32)CC1,C16H19F3N2,296.33,4.9,17.8,0.0,4.0,2.0,21.0 +lb_00552,Cc1ccccc1Cc1nc2ccccc2n1Cc1ccccc1F,C22H19FN2,330.4,5.5,17.8,0.0,2.0,4.0,25.0 +lb_00553,Fc1ccc(-c2nc3ccccc3n2CCCc2ccccc2)cc1,C22H19FN2,330.4,5.4,17.8,0.0,2.0,5.0,25.0 +lb_00554,Fc1ccccc1-c1nc2ccccc2n1CCCc1ccccc1,C22H19FN2,330.4,5.4,17.8,0.0,2.0,5.0,25.0 +lb_00555,CCC(C)Cn1c(-c2ccc(F)cc2)nc2ccccc21,C18H19FN2,282.4,4.8,17.8,0.0,2.0,4.0,21.0 +lb_00556,CCC(C)Cn1c(-c2ccccc2F)nc2ccccc21,C18H19FN2,282.4,4.8,17.8,0.0,2.0,4.0,21.0 +lb_00557,N#CCn1c(-c2ccc(F)c(F)c2)nc2ccccc21,C15H9F2N3,269.25,3.2,41.6,0.0,4.0,2.0,20.0 +lb_00558,Cc1ccc(C)c(Cn2c(CO)nc3ccccc32)c1,C17H18N2O,266.34,2.9,38.1,1.0,2.0,3.0,20.0 +lb_00559,CSc1nc2ccccc2n1Cc1cccc(F)c1,C15H13FN2S,272.3,4.0,43.1,0.0,3.0,3.0,19.0 +lb_00560,CCCCCc1nc2ccc(C(F)(F)F)cc2n1CC,C15H19F3N2,284.32,4.9,17.8,0.0,4.0,5.0,20.0 +lb_00561,Cn1c(NCc2ccc(F)c(C(F)(F)F)c2)nc2ccccc21,C16H13F4N3,323.29,4.2,29.9,1.0,6.0,3.0,23.0 +lb_00562,CCN(CC)CCCn1c(C(C)(C)C)nc2cc(C(F)(F)F)ccc21,C19H28F3N3,355.4,5.1,21.1,0.0,5.0,7.0,25.0 +lb_00563,CCN(CC)CCn1c(Cc2ccccc2)nc2cc(C(F)(F)F)ccc21,C21H24F3N3,375.4,5.0,21.1,0.0,5.0,7.0,27.0 +lb_00564,CCn1c(/C(C#N)=C/c2ccccc2C(F)(F)F)nc2ccccc21,C19H14F3N3,341.3,4.4,41.6,0.0,5.0,3.0,25.0 +lb_00565,Cc1cccc(Cn2c([C@H](C)N)nc3cc(C(F)(F)F)ccc32)c1,C18H18F3N3,333.4,3.6,43.8,1.0,5.0,3.0,24.0 +lb_00566,N#Cc1cc(Cn2c(C(F)(F)F)nc3ccccc32)ccc1-c1ccccc1,C22H14F3N3,377.4,5.3,41.6,0.0,5.0,3.0,28.0 +lb_00567,CN(C)CCCn1c(Cc2ccccc2)nc2cc(C(F)(F)F)ccc21,C20H22F3N3,361.4,4.6,21.1,0.0,5.0,6.0,26.0 +lb_00568,FC(F)(F)c1cccc(CN2CCCn3c(nc4ccccc43)C2)c1,C19H18F3N3,345.4,3.8,21.1,0.0,5.0,2.0,25.0 +lb_00569,Cn1c(-c2cccc(N3CCN(CC(F)(F)F)CC3)c2)nc2ccccc21,C20H21F3N4,374.4,4.1,24.3,0.0,6.0,3.0,27.0 +lb_00570,N#Cc1ccc(Cn2c(C(F)(F)F)nc3ccccc32)cc1-c1ccccc1,C22H14F3N3,377.4,5.3,41.6,0.0,5.0,3.0,28.0 +lb_00571,Cc1cccc(-c2nc3ccccc3n2CCCN2CCC(F)(F)CC2)c1,C22H25F2N3,369.4,5.0,21.1,0.0,4.0,5.0,27.0 +lb_00572,CCn1c(C(C#N)=Cc2ccccc2C(F)(F)F)nc2ccccc21,C19H14F3N3,341.3,4.4,41.6,0.0,5.0,3.0,25.0 +lb_00573,Cn1c(C(C#N)=Cc2cccc(C(F)(F)F)c2)nc2ccccc21,C18H12F3N3,327.3,4.1,41.6,0.0,5.0,2.0,24.0 +lb_00574,Cn1c(/C(C#N)=C/c2cccc(C(F)(F)F)c2)nc2ccccc21,C18H12F3N3,327.3,4.1,41.6,0.0,5.0,2.0,24.0 +lb_00575,CC(c1ccccc1)N1CCC(Cn2c(C(F)(F)F)nc3ccccc32)CC1,C22H24F3N3,387.4,5.0,21.1,0.0,5.0,4.0,28.0 +lb_00576,CCN(CC)CCCn1c(-c2ccc(C)cc2)nc2cc(C(F)(F)F)ccc21,C22H26F3N3,389.5,5.4,21.1,0.0,5.0,7.0,28.0 +lb_00577,CNc1nc2ccccc2n2c(-c3cccc(C(F)(F)F)c3)cnc12,C18H13F3N4,342.3,5.0,42.2,1.0,6.0,2.0,25.0 +lb_00578,CCc1cccc(CC)c1N(COC)C(=O)Cn1c(C)nc2ccccc21,C22H27N3O2,365.5,4.6,47.4,0.0,3.0,7.0,27.0 +lb_00579,CCCCn1c(-c2cc(-c3ccc(F)cc3)nc(N)n2)nc2ccccc21,C21H20FN5,361.4,4.0,69.6,1.0,5.0,5.0,27.0 +lb_00580,C[C@@H]1C[C@H](n2c(Cc3ccc(C(F)(F)F)cc3)nc3ccccc32)CC(C)(C)C1,C24H27F3N2,400.5,7.3,17.8,0.0,4.0,3.0,29.0 +lb_00581,CC1CC(n2c(Cc3ccc(C(F)(F)F)cc3)nc3ccccc32)CC(C)(C)C1,C24H27F3N2,400.5,7.3,17.8,0.0,4.0,3.0,29.0 +lb_00582,CCN(CC)CCCn1c(-c2ccc([C@@H](NC)C(F)(F)F)cc2)nc2ccccc21,C23H29F3N4,418.5,4.7,33.1,1.0,6.0,9.0,30.0 +lb_00583,CCN(CC)CCCn1c(-c2ccc(C(NC)C(F)(F)F)cc2)nc2ccccc21,C23H29F3N4,418.5,4.7,33.1,1.0,6.0,9.0,30.0 +lb_00584,C=Cc1ccc2c(c1)nc(C)n2Cc1ccccc1CC(C)(F)F.CCc1ccc(C)cc1,C29H32F2N2,446.6,,17.8,0.0,3.0,6.0,33.0 +lb_00585,CCN(CC)CCCn1c(Cn2nnc3ccccc32)nc2cc(C(F)(F)F)ccc21,C22H25F3N6,430.5,4.2,51.8,0.0,7.0,8.0,31.0 +lb_00586,Cn1c(CN2CCC(CCCc3cc(F)cc(C(F)(F)F)c3)CC2)nc2ccccc21,C24H27F4N3,433.5,6.1,21.1,0.0,6.0,6.0,31.0 +lb_00587,Cc1ccc(Cn2c(Cc3ccccc3)nc3ccccc32)cc1,C22H20N2,312.4,5.4,17.8,0.0,1.0,4.0,24.0 +lb_00588,Cn1c(/C(C#N)=C/c2ccc(C(F)(F)F)cc2)nc2ccccc21,C18H12F3N3,327.3,4.1,41.6,0.0,5.0,2.0,24.0 +lb_00589,Cc1cccc(Cn2c([C@H](C)N)nc3ccccc32)c1,C17H19N3,265.35,2.7,43.8,1.0,2.0,3.0,20.0 +lb_00590,CCc1nc2ccccc2n1CCc1ccccc1,C17H18N2,250.34,4.2,17.8,0.0,1.0,4.0,19.0 +lb_00591,Cc1cccc(Cn2c(CC(C)C)nc3ccccc32)c1,C19H22N2,278.4,5.0,17.8,0.0,1.0,4.0,21.0 +lb_00592,CCn1c(CCc2ccccc2)nc2ccccc21,C17H18N2,250.34,4.0,17.8,0.0,1.0,4.0,19.0 +lb_00593,C=CCn1c(-c2ccccc2)nc2ccccc21,C16H14N2,234.29,3.8,17.8,0.0,1.0,3.0,18.0 +lb_00594,CC(C)c1nc2ccccc2n1Cc1ccccc1,C17H18N2,250.34,4.2,17.8,0.0,1.0,3.0,19.0 +lb_00595,CC(C)c1nc2ccccc2n1Cc1ccc(F)cc1,C17H17FN2,268.33,4.3,17.8,0.0,2.0,3.0,20.0 +lb_00596,CC(C)c1nc2ccccc2n1Cc1ccccc1F,C17H17FN2,268.33,4.3,17.8,0.0,2.0,3.0,20.0 +lb_00597,C=CCn1c(-c2ccc(F)cc2)nc2ccccc21,C16H13FN2,252.29,3.9,17.8,0.0,2.0,3.0,19.0 +lb_00598,CN(C)c1nc2ccccc2n1Cc1ccc(F)cc1,C16H16FN3,269.32,3.6,21.1,0.0,3.0,3.0,20.0 +lb_00599,CC(C)n1c(-c2ccc(N(C)C)c(C(F)(F)F)c2)nc2ccccc21,C19H20F3N3,347.4,4.8,21.1,0.0,5.0,3.0,25.0 +lb_00600,Cc1nc2ccccc2n1CCCCC1CC(c2ccc(F)cc2)=CCN1,C23H26FN3,363.5,4.4,29.9,1.0,3.0,6.0,27.0 +lb_00601,COCn1c(C(F)(F)F)nc2ccc(-c3ccccc3)cc21,C16H13F3N2O,306.28,3.9,27.1,0.0,5.0,3.0,22.0 +lb_00602,COCn1c(C(F)(F)F)nc2cc(-c3ccccc3)ccc21,C16H13F3N2O,306.28,3.9,27.1,0.0,5.0,3.0,22.0 +lb_00603,FC(F)c1nc2ccccc2n1Cc1ccccc1,C15H12F2N2,258.27,3.7,17.8,0.0,3.0,3.0,19.0 +lb_00604,Cc1nc2cc(C(C)(C)C)c(C(F)(F)F)cc2n1C,C14H17F3N2,270.29,4.4,17.8,0.0,4.0,1.0,19.0 +lb_00605,CC(c1nc2ccccc2n1C)N1CCN(c2cccc(C(F)(F)F)c2)CC1,C21H23F3N4,388.4,4.2,24.3,0.0,6.0,3.0,28.0 +lb_00606,Cn1cnc2ccccc21.Fc1cc(CN2CCCCC2)cc(C(F)(F)F)c1,C21H23F4N3,393.4,,21.1,0.0,6.0,2.0,28.0 +lb_00607,CN1CCN(Cc2cc(F)cc(C(F)(F)F)c2)CC1.Cn1cnc2ccccc21,C21H24F4N4,408.4,,24.3,0.0,7.0,2.0,29.0 +lb_00608,Cn1c(C(C#N)=Cc2ccc(C(F)(F)F)cc2)nc2ccccc21,C18H12F3N3,327.3,4.1,41.6,0.0,5.0,2.0,24.0 +lb_00609,Fc1cccc(F)c1-c1nc2ccccc2n1Cc1c(F)c(F)c(F)c(F)c1F,C20H9F7N2,410.3,5.4,17.8,0.0,8.0,3.0,29.0 +lb_00610,C=CCn1c(-c2ccccc2F)nc2ccccc21,C16H13FN2,252.29,3.9,17.8,0.0,2.0,3.0,19.0 +lb_00611,FC(F)(F)c1nc2ccccc2n1CC1CCN(Cc2ccccc2)CC1,C21H22F3N3,373.4,4.6,21.1,0.0,5.0,4.0,27.0 +lb_00612,Fc1cc(F)cc(CN2CCC(Cn3c(C(F)(F)F)nc4ccccc43)CC2)c1,C21H20F5N3,409.4,4.8,21.1,0.0,7.0,4.0,29.0 +lb_00613,CCC(c1ccccc1)c1nc2cc(C(F)(F)F)ccc2n1CCCN(C)C,C22H26F3N3,389.5,5.3,21.1,0.0,5.0,7.0,28.0 +lb_00614,Cc1ccc(-c2nc3cc(C(F)(F)F)ccc3n2CCCN(C)C)c(C)c1,C21H24F3N3,375.4,5.0,21.1,0.0,5.0,5.0,27.0 +lb_00615,CCC(c1ccccc1)c1nc2cc(C(F)(F)F)ccc2n1CCN(CC)CC,C23H28F3N3,403.5,5.7,21.1,0.0,5.0,8.0,29.0 +lb_00616,CCN(CC)CCn1c(-c2ccc(C)cc2C)nc2cc(C(F)(F)F)ccc21,C22H26F3N3,389.5,5.4,21.1,0.0,5.0,6.0,28.0 +lb_00617,CCCCN(CCCC)CCCn1c(C(C)(C)C)nc2cc(C(F)(F)F)ccc21,C23H36F3N3,411.5,6.9,21.1,0.0,5.0,11.0,29.0 +lb_00618,CCCCN(CCCC)CCCn1c(-c2ccc(C)cc2)nc2cc(C(F)(F)F)ccc21,C26H34F3N3,445.6,7.2,21.1,0.0,5.0,11.0,32.0 +lb_00619,CCC(C)n1c(Cc2ccccc2)nc2cc(C(F)(F)F)ccc21,C19H19F3N2,332.4,5.5,17.8,0.0,4.0,4.0,24.0 +lb_00620,CCC(C)n1c(-c2ccccc2C)nc2cc(C(F)(F)F)ccc21,C19H19F3N2,332.4,5.6,17.8,0.0,4.0,3.0,24.0 +lb_00621,CCC(c1ccccc1)c1nc2cc(C(F)(F)F)ccc2n1C,C18H17F3N2,318.3,5.0,17.8,0.0,4.0,3.0,23.0 +lb_00622,Cc1ccccc1-c1nc2cc(C(F)(F)F)ccc2n1C(C)C,C18H17F3N2,318.3,5.1,17.8,0.0,4.0,2.0,23.0 +lb_00623,CCC(C)c1nc2cc(C(F)(F)F)ccc2n1CC(C)C,C16H21F3N2,298.35,5.1,17.8,0.0,4.0,4.0,21.0 +lb_00624,CC(C)Cn1c(Cc2cccc3ccccc23)nc2cc(C(F)(F)F)ccc21,C23H21F3N2,382.4,6.8,17.8,0.0,4.0,4.0,28.0 +lb_00625,Cc1ccc(-c2nc3cc(C(F)(F)F)ccc3n2CC(C)C)c(C)c1,C20H21F3N2,346.4,6.0,17.8,0.0,4.0,3.0,25.0 +lb_00626,FC(F)(F)c1ccc2c(c1)nc(C1CCCCC1)n2Cc1ccccc1,C21H21F3N2,358.4,6.1,17.8,0.0,4.0,3.0,26.0 +lb_00627,FC(F)(F)c1nc2ccccc2n1C(c1ccccc1)c1ccccc1,C21H15F3N2,352.4,5.6,17.8,0.0,4.0,3.0,26.0 +lb_00628,Cc1nc2ccccc2n1C(c1cccc(F)c1)C(C)N,C17H18FN3,283.34,3.1,43.8,1.0,3.0,3.0,21.0 +lb_00629,Cc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1CC(F)(F)F,C14H13F3N6,322.29,2.0,95.6,2.0,8.0,2.0,23.0 +lb_00630,Fc1ccc(Cn2c(Cl)nc3ccccc32)cc1,C14H10ClFN2,260.69,4.1,17.8,0.0,2.0,2.0,18.0 +lb_00631,COCc1nc2ccccc2n1Cc1cccc(C)c1,C17H18N2O,266.34,3.1,27.1,0.0,2.0,4.0,20.0 +lb_00632,O=C(C1CC1)N1CCN(Cc2nc3ccccc3n2Cc2cccc(C(F)(F)F)c2)CC1,C24H25F3N4O,442.5,3.5,41.4,0.0,6.0,5.0,32.0 +lb_00633,Cc1cccc(Cn2c(C(C)O)nc3ccccc32)c1,C17H18N2O,266.34,2.9,38.1,1.0,2.0,3.0,20.0 +lb_00634,CC(C)Cn1c(-c2ccccc2Cl)nc2ccccc21,C17H17ClN2,284.8,5.0,17.8,0.0,1.0,3.0,20.0 +lb_00635,FC(F)(F)c1cc(-c2ccccc2)n2c(n1)nc1ccccc12,C17H10F3N3,313.28,5.1,30.2,0.0,5.0,1.0,23.0 +lb_00636,CCn1c(-c2ccc(C#Cc3ccccc3)cc2)nc2ccccc21,C23H18N2,322.4,5.4,17.8,0.0,1.0,4.0,25.0 +lb_00637,CCCCn1c(-c2ccc(C#Cc3ccccc3)cc2)nc2ccccc21,C25H22N2,350.5,6.3,17.8,0.0,1.0,6.0,27.0 +lb_00638,CSc1nc2ccccc2n1Cc1ccccc1F,C15H13FN2S,272.3,4.0,43.1,0.0,3.0,3.0,19.0 +lb_00639,C=CCn1c(C(C)C)nc2ccccc21,C13H16N2,200.28,3.3,17.8,0.0,1.0,3.0,15.0 +lb_00640,Cn1c(-c2cccc(-c3nc4ccccc4n3C)c2)nc2ccccc21,C22H18N4,338.4,4.3,35.6,0.0,2.0,2.0,26.0 +lb_00641,FC(F)(F)c1cccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccccc3)CC2)c1,C28H29F3N4,478.6,6.8,33.1,1.0,6.0,7.0,35.0 +lb_00642,COCCn1c(-c2ccc(C(C)C)cc2)nc2ccccc21,C19H22N2O,294.4,4.0,27.1,0.0,2.0,5.0,22.0 +lb_00643,CCCCn1c(CCC)nc2ccccc21,C14H20N2,216.32,3.8,17.8,0.0,1.0,5.0,16.0 +lb_00644,Nc1nc2ccccc2n1Cc1cccc(F)c1,C14H12FN3,241.26,2.8,43.8,1.0,3.0,2.0,18.0 +lb_00645,Cn1c(CCc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)nc2ccccc21,C24H21F3N4O,438.4,5.1,59.0,2.0,5.0,5.0,32.0 +lb_00646,CC(C)Cc1ccc(C(C)c2nc3ccccc3n2Cc2ccccc2C(F)(F)F)cc1,C27H27F3N2,436.5,7.8,17.8,0.0,4.0,6.0,32.0 +lb_00647,Cc1cccc(Cn2c([C@@H](N)C(C)C)nc3cc(C(F)(F)F)ccc32)c1,C20H22F3N3,361.4,4.5,43.8,1.0,5.0,4.0,26.0 +lb_00648,CC(C)c1ccc(N2CCC(Cn3c(C(F)(F)F)nc4ccccc43)CC2)cc1,C23H26F3N3,401.5,6.0,21.1,0.0,5.0,4.0,29.0 +lb_00649,CCc1nc2ccccc2n1C1N=CC=CN1c1ccc(C(F)(F)F)cc1,C20H17F3N4,370.4,4.6,33.4,0.0,6.0,3.0,27.0 +lb_00650,CC(C)(C)c1ccc(CN2CCC(n3c(C(F)(F)F)nc4ccccc43)CC2)cc1.Cl,C24H29ClF3N3,452.0,,21.1,1.0,5.0,4.0,31.0 +lb_00651,CCN(CC)CCCn1c(Cc2ccccc2)nc2cc(C(F)(F)F)ccc21,C22H26F3N3,389.5,5.3,21.1,0.0,5.0,8.0,28.0 +lb_00652,CCC(c1ccccc1)c1nc2cc(C(F)(F)F)ccc2n1CCCN(CC)CC,C24H30F3N3,417.5,6.0,21.1,0.0,5.0,9.0,30.0 +lb_00653,CCCCCCCCn1c(-c2cc(-c3ccc(F)cc3)nc(N)n2)nc2ccccc21,C25H28FN5,417.5,6.2,69.6,1.0,5.0,9.0,31.0 +lb_00654,CCCCCCn1c(-c2cc(-c3ccc(F)cc3)nc(N)n2)nc2ccccc21,C23H24FN5,389.5,5.1,69.6,1.0,5.0,7.0,29.0 +lb_00655,CCCCCCCn1c(-c2cc(-c3ccc(F)cc3)nc(N)n2)nc2ccccc21,C24H26FN5,403.5,5.6,69.6,1.0,5.0,8.0,30.0 +lb_00656,FC(F)(F)c1ccc2c(c1)nc(N1CCc3ccccc3C1)n2Cc1ccccc1,C24H20F3N3,407.4,5.9,21.1,0.0,5.0,3.0,30.0 +lb_00657,NC1=NC(c2cccc(C(F)(F)F)c2)n2c(nc3ccccc32)N1,C16H12F3N5,331.29,2.8,68.2,2.0,5.0,1.0,24.0 +lb_00658,CCCn1c(NCc2ccc(C(C)(C)C)cc2)nc2cc(C(F)(F)F)ccc21,C22H26F3N3,389.5,6.6,29.9,1.0,5.0,6.0,28.0 +lb_00659,CC(C)c1ccc(-c2nc3ccccc3n2Cc2cccc(F)c2)cc1,C23H21FN2,344.4,5.9,17.8,0.0,2.0,4.0,26.0 +lb_00660,CCCCn1c(-c2cc(-c3ccc(C)cc3)nc(N)n2)nc2ccccc21,C22H23N5,357.5,4.3,69.6,1.0,4.0,5.0,27.0 +lb_00661,C[C@H](N)c1nc2ccccc2n1Cc1cccc(F)c1,C16H16FN3,269.32,2.4,43.8,1.0,3.0,3.0,20.0 +lb_00662,Cc1ccccc1Cc1nc2ccccc2n1Cc1ccc(F)cc1,C22H19FN2,330.4,5.5,17.8,0.0,2.0,4.0,25.0 +lb_00663,CCc1nc2cc(C(F)(F)F)ccc2n1CCN(CC)CC,C16H22F3N3,313.36,3.9,21.1,0.0,5.0,6.0,22.0 +lb_00664,CCn1c(C2CCCCC2)nc2cc(C(F)(F)F)ccc21,C16H19F3N2,296.33,4.8,17.8,0.0,4.0,2.0,21.0 +lb_00665,CC(C)n1c(Cc2ccccc2)nc2cc(C(F)(F)F)ccc21,C18H17F3N2,318.3,5.0,17.8,0.0,4.0,3.0,23.0 +lb_00666,CCn1c(C(C)(N)c2ccccc2)nc2cc(F)ccc21,C17H18FN3,283.34,2.6,43.8,1.0,3.0,3.0,21.0 +lb_00667,CCn1c(C(C)(N)c2ccccc2)nc2ccc(F)cc21,C17H18FN3,283.34,2.6,43.8,1.0,3.0,3.0,21.0 +lb_00668,CCc1nc2ccccc2n1Cc1ccc(N)cc1F,C16H16FN3,269.32,3.3,43.8,1.0,3.0,3.0,20.0 +lb_00669,Cc1ccc(C)c(Cn2c(C(C)O)nc3ccccc32)c1,C18H20N2O,280.4,3.3,38.1,1.0,2.0,3.0,21.0 +lb_00670,CN(CCCn1c(N)nc2cc(C(F)(F)F)ccc21)CCCn1c(N)nc2cc(C(F)(F)F)ccc21,C23H25F6N7,513.5,4.3,90.9,2.0,11.0,8.0,36.0 +lb_00671,Cc1ccc(Cn2c(-c3cccc(N)c3)nc3ccccc32)cc1,C21H19N3,313.4,4.4,43.8,1.0,2.0,3.0,24.0 +lb_00672,Cc1cc(C)c(C)c(Cn2c(CCCO)nc3ccccc32)c1C,C21H26N2O,322.4,4.5,38.1,1.0,2.0,5.0,24.0 +lb_00673,Cc1ccccc1Cn1c(Cc2ccccc2)nc2ccccc21,C22H20N2,312.4,5.4,17.8,0.0,1.0,4.0,24.0 +lb_00674,CCCc1nc2ccccc2n1Cc1ccc(F)cc1,C17H17FN2,268.33,4.3,17.8,0.0,2.0,4.0,20.0 +lb_00675,CCn1c(/C=C/c2ccc(F)cc2)nc2ccccc21,C17H15FN2,266.31,4.1,17.8,0.0,2.0,3.0,20.0 +lb_00676,CCCc1nc2ccccc2n1Cc1ccccc1F,C17H17FN2,268.33,4.3,17.8,0.0,2.0,4.0,20.0 +lb_00677,Fc1ccc(Cc2nc3ccccc3n2Cc2ccc(F)c(F)c2)cc1F,C21H14F4N2,370.3,5.4,17.8,0.0,5.0,4.0,27.0 +lb_00678,CC(C)(C)Cc1nc2cc(F)ccc2n1CC(F)(F)F,C14H16F4N2,288.28,4.6,17.8,0.0,5.0,3.0,20.0 +lb_00679,FC(F)(F)c1ccc(-c2ccc(Cn3cnc4ccccc43)cc2)cc1,C21H15F3N2,352.4,5.5,17.8,0.0,4.0,3.0,26.0 +lb_00680,CC(C)(C)c1ccc2c(c1)nc(C(F)(F)F)n2-c1ccccc1,C18H17F3N2,318.3,5.7,17.8,0.0,4.0,2.0,23.0 +lb_00681,CC(C)c1ccc(Cn2c(-c3ccc(C(C)C)cc3)nc3ccccc32)cc1,C26H28N2,368.5,6.9,17.8,0.0,1.0,5.0,28.0 +lb_00682,CCn1c(C=Cc2ccc(F)cc2)nc2ccccc21,C17H15FN2,266.31,4.1,17.8,0.0,2.0,3.0,20.0 +lb_00683,Fc1ccc(-c2nc3ccccc3n2Cc2ccccc2F)cc1,C20H14F2N2,320.3,4.9,17.8,0.0,3.0,3.0,24.0 +lb_00684,Fc1ccc(Cn2c(-c3ccccc3F)nc3ccccc32)cc1,C20H14F2N2,320.3,4.9,17.8,0.0,3.0,3.0,24.0 +lb_00685,Cc1cccc(-c2nc3cc(C(F)(F)F)ccc3n2C)c1,C16H13F3N2,290.28,4.3,17.8,0.0,4.0,1.0,21.0 +lb_00686,Cc1nc2ccccc2n1C(c1ccc(F)cc1)C(C)N,C17H18FN3,283.34,3.1,43.8,1.0,3.0,3.0,21.0 +lb_00687,Cc1nc2ccccc2n1C(c1ccccc1F)C(C)N,C17H18FN3,283.34,3.1,43.8,1.0,3.0,3.0,21.0 +lb_00688,CCCn1c(Nc2ccccc2C)nc2ccccc21,C17H19N3,265.35,4.5,29.9,1.0,2.0,4.0,20.0 +lb_00689,CN1CCN(c2nc3ccccc3n2CCc2ccccc2)CC1,C20H24N4,320.4,3.6,24.3,0.0,3.0,4.0,24.0 +lb_00690,COCc1nc2ccccc2n1Cc1ccccc1C,C17H18N2O,266.34,3.1,27.1,0.0,2.0,4.0,20.0 +lb_00691,Cc1ccccc1Cn1c(C(C)O)nc2ccccc21,C17H18N2O,266.34,2.9,38.1,1.0,2.0,3.0,20.0 +lb_00692,Cn1cccc1-c1nc2ccccc2n1Cc1ccccc1,C19H17N3,287.4,3.5,22.8,0.0,1.0,3.0,22.0 +lb_00693,CN(C)c1ccc(Cn2c(-c3ccc(N(C)C)cc3)nc3ccccc32)cc1,C24H26N4,370.5,4.9,24.3,0.0,3.0,5.0,28.0 +lb_00694,CCn1c(CCc2ccccc2)nc2ccccc21.Cl,C17H19ClN2,286.8,,17.8,1.0,1.0,4.0,20.0 +lb_00695,CCn1c(/C=C/c2ccccc2)nc2ccccc21,C17H16N2,248.32,4.0,17.8,0.0,1.0,3.0,19.0 +lb_00696,CCCc1nc2ccccc2n1CCc1ccccc1,C18H20N2,264.4,4.5,17.8,0.0,1.0,5.0,20.0 +lb_00697,CCc1nc2ccccc2n1CCc1ccccc1.Cl,C17H19ClN2,286.8,,17.8,1.0,1.0,4.0,20.0 +lb_00698,CCCc1nc2ccccc2n1Cc1ccccc1,C17H18N2,250.34,4.2,17.8,0.0,1.0,4.0,19.0 +lb_00699,CC(C)c1nc2ccccc2n1CCc1ccccc1,C18H20N2,264.4,4.5,17.8,0.0,1.0,4.0,20.0 +lb_00700,Cn1c(-c2cccc(F)c2)nc2ccccc21,C14H11FN2,226.25,3.2,17.8,0.0,2.0,1.0,17.0 +lb_00701,CCCn1c(Cc2ccccc2)nc2ccccc21,C17H18N2,250.34,4.2,17.8,0.0,1.0,4.0,19.0 +lb_00702,Nc1nc2ccccc2n1Cc1ccc(F)cc1,C14H12FN3,241.26,2.6,43.8,1.0,3.0,2.0,18.0 +lb_00703,CCc1nc2ccccc2n1CCC(C)C,C14H20N2,216.32,3.9,17.8,0.0,1.0,4.0,16.0 +lb_00704,Nc1nc2ccccc2n1Cc1ccccc1F,C14H12FN3,241.26,2.8,43.8,1.0,3.0,2.0,18.0 +lb_00705,CCn1c(NCc2ccccc2)nc2ccccc21,C16H17N3,251.33,3.6,29.9,1.0,2.0,4.0,19.0 +lb_00706,CCC(C)Cn1c(C(C)C)nc2ccccc21,C15H22N2,230.35,4.2,17.8,0.0,1.0,4.0,17.0 +lb_00707,Nc1nc2ccccc2n1Cc1ccccc1,C14H13N3,223.27,2.5,43.8,1.0,2.0,2.0,17.0 +lb_00708,CC1(N2CCC(n3c(-c4cccc(C(F)(F)F)c4)nc4ccccc43)CC2)CCCCCCC1,C28H34F3N3,469.6,7.6,21.1,0.0,5.0,3.0,34.0 +lb_00709,CN1CCN(c2cc(-c3ccc(C(F)(F)F)cc3)c(C#N)c3nc4ccccc4n23)CC1,C24H20F3N5,435.4,5.7,47.6,0.0,7.0,2.0,32.0 +lb_00710,FC(F)(F)c1nc2ccccc2n1CC1CCN(c2ccc(C3CCCCC3)cc2)CC1,C26H30F3N3,441.5,7.4,21.1,0.0,5.0,4.0,32.0 +lb_00711,CCc1nc2ccccc2n1C1N=CC(F)=CN1c1ccc(C(F)(F)F)cc1,C20H16F4N4,388.4,4.9,33.4,0.0,7.0,3.0,28.0 +lb_00712,Cc1nc2cc(C(F)(F)F)ccc2n1C1CCN(Cc2ccc(C(C)(C)C)cc2)CC1.Cl,C25H31ClF3N3,466.0,,21.1,1.0,5.0,4.0,32.0 +lb_00713,Fc1cccc(CN2CCC(Cn3c(C(F)(F)F)nc4ccccc43)CC2)c1,C21H21F4N3,391.4,4.7,21.1,0.0,6.0,4.0,28.0 +lb_00714,Fc1ccc(F)c(CN2CCC(Cn3c(C(F)(F)F)nc4ccccc43)CC2)c1,C21H20F5N3,409.4,4.8,21.1,0.0,7.0,4.0,29.0 +lb_00715,Fc1ccc(CN2CCC(Cn3c(C(F)(F)F)nc4ccccc43)CC2)cc1F,C21H20F5N3,409.4,4.8,21.1,0.0,7.0,4.0,29.0 +lb_00716,CCN(CC)CCCn1c(-c2ccc(C)cc2C)nc2cc(C(F)(F)F)ccc21,C23H28F3N3,403.5,5.8,21.1,0.0,5.0,7.0,29.0 +lb_00717,CCCCN(CCCC)CCCn1c(Cc2ccccc2)nc2cc(C(F)(F)F)ccc21,C26H34F3N3,445.6,7.1,21.1,0.0,5.0,12.0,32.0 +lb_00718,CCCCN(CCCC)CCCn1c(C(CC)c2ccccc2)nc2cc(C(F)(F)F)ccc21,C28H38F3N3,473.6,7.8,21.1,0.0,5.0,13.0,34.0 +lb_00719,CC(c1nc2ccccc2n1C(F)F)N1CCN(c2cccc(C(F)(F)F)c2)CC1,C21H21F5N4,424.4,5.0,24.3,0.0,8.0,4.0,30.0 +lb_00720,Cn1c(CN2CCC(c3ccccc3C(F)(F)F)CC2)nc2ccccc21,C21H22F3N3,373.4,4.4,21.1,0.0,5.0,3.0,27.0 +lb_00721,CC(C)Cc1ccc(C(C)c2nc3ccccc3n2Cc2ccc(C(C)(C)C)cc2)cc1,C30H36N2,424.6,8.6,17.8,0.0,1.0,7.0,32.0 +lb_00722,Cc1nc2cc(F)ccc2n1CCCN1CCN(Cc2ccccc2)CC1,C22H27FN4,366.5,3.6,24.3,0.0,4.0,6.0,27.0 +lb_00723,FC(F)(F)c1nc2ccccc2n1CC1CCCN1Cc1ccccc1,C20H20F3N3,359.4,4.4,21.1,0.0,5.0,4.0,26.0 +lb_00724,FC(F)(F)c1nc2ccccc2n1CC1CCN(Cc2ccccc2)C1,C20H20F3N3,359.4,4.2,21.1,0.0,5.0,4.0,26.0 +lb_00725,Cc1cccc(Cn2c([C@@H](N)C(C)C)nc3ccccc32)c1,C19H23N3,293.4,3.7,43.8,1.0,2.0,4.0,22.0 +lb_00726,Cc1ccc2c(c1)nc(-c1ccc(F)cc1)n2CCc1ccccc1,C22H19FN2,330.4,5.5,17.8,0.0,2.0,4.0,25.0 +lb_00727,CC1(CC(F)(F)F)Cn2c(nc3ccccc32)-c2ccccc21,C18H15F3N2,316.3,4.9,17.8,0.0,4.0,1.0,23.0 +lb_00728,CC(C)c1ccc(Cn2c(-c3ccc(F)cc3)nc3ccccc32)cc1,C23H21FN2,344.4,5.9,17.8,0.0,2.0,4.0,26.0 +lb_00729,CC(C)c1ccc(Cn2c(-c3ccccc3F)nc3ccccc32)cc1,C23H21FN2,344.4,5.9,17.8,0.0,2.0,4.0,26.0 +lb_00730,CC(C)c1ccc(-c2nc3ccccc3n2Cc2ccc(F)cc2)cc1,C23H21FN2,344.4,5.9,17.8,0.0,2.0,4.0,26.0 +lb_00731,Cc1cccc(Cn2c(CN3CCCC3)nc3ccccc32)c1,C20H23N3,305.4,3.8,21.1,0.0,2.0,4.0,23.0 +lb_00732,CC(Cl)c1nc2ccccc2n1CCc1cccc(F)c1,C17H16ClFN2,302.8,4.3,17.8,0.0,2.0,4.0,21.0 +lb_00733,Cn1c(Cc2cccc3ccccc23)nc2cc(C(F)(F)F)ccc21,C20H15F3N2,340.3,5.5,17.8,0.0,4.0,2.0,25.0 +lb_00734,CCC(c1ccccc1)c1nc2cc(C(F)(F)F)ccc2n1C(C)C,C20H21F3N2,346.4,5.7,17.8,0.0,4.0,4.0,25.0 +lb_00735,CCn1c(CNCc2cccc(F)c2)nc2ccccc21,C17H18FN3,283.34,2.7,29.9,1.0,3.0,5.0,21.0 +lb_00736,CCc1nc2ccccc2n1Cc1ccc(F)cc1CN,C17H18FN3,283.34,2.8,43.8,1.0,3.0,4.0,21.0 +lb_00737,CCc1nc2ccccc2n1Cc1cc(F)ccc1CN,C17H18FN3,283.34,2.8,43.8,1.0,3.0,4.0,21.0 +lb_00738,CN(Cc1nc2cc(C(F)(F)F)ccc2n1C)c1ccccc1,C17H16F3N3,319.32,4.0,21.1,0.0,5.0,3.0,23.0 +lb_00739,CC(C)Cn1c(-c2ccc(N(C)C)cc2)nc2ccccc21,C19H23N3,293.4,4.5,21.1,0.0,2.0,4.0,22.0 +lb_00740,CC(C)Cc1nc2ccccc2n1Cc1ccc(F)cc1,C18H19FN2,282.4,4.8,17.8,0.0,2.0,4.0,21.0 +lb_00741,CC(C)Cc1nc2ccccc2n1Cc1ccccc1F,C18H19FN2,282.4,4.8,17.8,0.0,2.0,4.0,21.0 +lb_00742,FC(F)(F)c1cccc(-c2cccc(-n3cnc4ccccc43)c2)c1,C20H13F3N2,338.3,5.6,17.8,0.0,4.0,2.0,25.0 +lb_00743,CCCCn1c(C(=S)c2ccccc2)nc2ccccc21,C18H18N2S,294.4,4.9,49.9,0.0,2.0,5.0,21.0 +lb_00744,Fc1cccc(F)c1-c1nc2ccccc2n1CC1C=CC=C1,C19H14F2N2,308.3,4.7,17.8,0.0,3.0,3.0,23.0 +lb_00745,CCN(CC)c1nc2ccccc2n1Cc1ccc(F)cc1,C18H20FN3,297.4,4.3,21.1,0.0,3.0,5.0,22.0 +lb_00746,Cc1nc2ccccc2n1C(C)C(N)c1ccc(F)cc1,C17H18FN3,283.34,2.9,43.8,1.0,3.0,3.0,21.0 +lb_00747,CCn1c(C(N)c2ccc(F)cc2)nc2ccccc21,C16H16FN3,269.32,2.4,43.8,1.0,3.0,3.0,20.0 +lb_00748,CCn1c(C(N)c2ccccc2F)nc2ccccc21,C16H16FN3,269.32,2.4,43.8,1.0,3.0,3.0,20.0 +lb_00749,CCSc1nc2ccccc2n1Cc1ccccc1F,C16H15FN2S,286.4,4.3,43.1,0.0,3.0,4.0,20.0 +lb_00750,CC(O)c1nc2ccccc2n1Cc1ccc(F)cc1,C16H15FN2O,270.30,2.7,38.1,1.0,3.0,3.0,20.0 +lb_00751,CN(C)c1ccc(-c2nc3ccccc3n2Cc2ccccc2)cc1,C22H21N3,327.4,4.8,21.1,0.0,2.0,4.0,25.0 +lb_00752,C=C(C)Cn1c(-c2ccc(N)cc2)nc2ccccc21,C17H17N3,263.34,3.8,43.8,1.0,2.0,3.0,20.0 +lb_00753,COCc1nc2ccccc2n1Cc1ccc(F)cc1,C16H15FN2O,270.30,2.8,27.1,0.0,3.0,4.0,20.0 +lb_00754,CC(O)c1nc2ccccc2n1Cc1ccccc1F,C16H15FN2O,270.30,2.7,38.1,1.0,3.0,3.0,20.0 +lb_00755,CC(C)Cn1c(Cc2ccccc2)nc2ccccc21,C18H20N2,264.4,4.7,17.8,0.0,1.0,4.0,20.0 +lb_00756,CC(C)Cc1nc2ccccc2n1Cc1ccccc1,C18H20N2,264.4,4.7,17.8,0.0,1.0,4.0,20.0 +lb_00757,CC(C)c1ccc(Cn2c(Cl)nc3ccccc32)cc1,C17H17ClN2,284.8,5.1,17.8,0.0,1.0,3.0,20.0 +lb_00758,Cc1cc2nc(C)n(Cc3ccc(F)cc3)c2cc1C,C17H17FN2,268.33,4.3,17.8,0.0,2.0,2.0,20.0 +lb_00759,Cn1c(-c2ccc(F)cc2F)nc2ccccc21,C14H10F2N2,244.24,3.3,17.8,0.0,3.0,1.0,18.0 +lb_00760,Fc1cccc(F)c1Cc1nc2ccccc2n1Cc1c(F)cccc1F,C21H14F4N2,370.3,5.4,17.8,0.0,5.0,4.0,27.0 +lb_00761,FC(F)=C(F)c1nc2ccccc2n1Cc1ccccc1,C16H11F3N2,288.27,3.8,17.8,0.0,4.0,3.0,21.0 +lb_00762,CCCn1c(CCc2ccccc2)nc2ccccc21,C18H20N2,264.4,4.5,17.8,0.0,1.0,5.0,20.0 +lb_00763,CC(O)c1nc2ccccc2n1Cc1ccccc1,C16H16N2O,252.31,2.6,38.1,1.0,2.0,3.0,19.0 +lb_00764,CC(=O)c1nc2ccccc2n1Cc1ccccc1,C16H14N2O,250.29,3.1,34.9,0.0,2.0,3.0,19.0 +lb_00765,C=CCn1c(CCC)nc2ccccc21,C13H16N2,200.28,3.4,17.8,0.0,1.0,4.0,15.0 +lb_00766,COCc1nc2ccccc2n1Cc1ccccc1,C16H16N2O,252.31,2.7,27.1,0.0,2.0,4.0,19.0 +lb_00767,FC(F)(F)c1cc(-c2cn3ccccc3n2)cc(C(F)(F)F)c1,C15H8F6N2,330.23,5.2,17.3,0.0,7.0,1.0,23.0 +lb_00768,CCCCCCCn1c(CCCCCC)nc2ccccc21,C20H32N2,300.5,7.1,17.8,0.0,1.0,11.0,22.0 +lb_00769,c1ccc(Cc2nc3ccccc3n2Cc2ccccc2)cc1,C21H18N2,298.4,5.0,17.8,0.0,1.0,4.0,23.0 +lb_00770,Cn1c(-c2ccc(F)cc2)nc2ccccc21,C14H11FN2,226.25,3.2,17.8,0.0,2.0,1.0,17.0 +lb_00771,Cn1c(-c2ccccc2F)nc2ccccc21,C14H11FN2,226.25,3.2,17.8,0.0,2.0,1.0,17.0 +lb_00772,Cn1c(-c2c(F)cccc2F)nc2ccccc21,C14H10F2N2,244.24,3.3,17.8,0.0,3.0,1.0,18.0 +lb_00773,Cc1cccc(-c2nc3ccccc3n2C)c1,C15H14N2,222.28,3.5,17.8,0.0,1.0,1.0,17.0 +lb_00774,ClCc1nc2ccccc2n1Cc1ccccc1,C15H13ClN2,256.73,3.5,17.8,0.0,1.0,3.0,18.0 +lb_00775,Nc1nc2ccccc2n1CCc1ccccc1,C15H15N3,237.30,2.8,43.8,1.0,2.0,3.0,18.0 +lb_00776,Cn1c(-c2ccccc2)nc2ccccc21,C14H12N2,208.26,3.1,17.8,0.0,1.0,1.0,16.0 +lb_00777,Cc1nc2cc3ccccc3cc2n1C,C13H12N2,196.25,2.7,17.8,0.0,1.0,0.0,15.0 +lb_00778,CC1(N2CCC(n3c(-c4cccc(C(F)(F)F)c4)nc4ccccc43)CC2)CCCCCCC1.Cl.Cl,C28H36Cl2F3N3,542.5,,21.1,2.0,5.0,3.0,36.0 +lb_00779,Cc1cccc(Cn2c([C@@H](N)CC(C)C)nc3cc(C(F)(F)F)ccc32)c1,C21H24F3N3,375.4,4.9,43.8,1.0,5.0,5.0,27.0 +lb_00780,CCC[C@H](N)c1nc2cc(C(F)(F)F)ccc2n1Cc1cccc(C)c1,C20H22F3N3,361.4,4.5,43.8,1.0,5.0,5.0,26.0 +lb_00781,Cn1cnc2ccccc21.Fc1cc(CN2CCC(F)(F)CC2)cc(C(F)(F)F)c1,C21H21F6N3,429.4,,21.1,0.0,8.0,2.0,30.0 +lb_00782,CN(C)CCCn1c(Cc2cccc3ccccc23)nc2cc(C(F)(F)F)ccc21,C24H24F3N3,411.5,5.9,21.1,0.0,5.0,6.0,30.0 +lb_00783,CCN(CC)CCn1c(Cc2cccc3ccccc23)nc2cc(C(F)(F)F)ccc21,C25H26F3N3,425.5,6.2,21.1,0.0,5.0,7.0,31.0 +lb_00784,CCCCN(CCCC)CCCn1c(-c2ccc(C)cc2C)nc2cc(C(F)(F)F)ccc21,C27H36F3N3,459.6,7.5,21.1,0.0,5.0,11.0,33.0 +lb_00785,CCc1nc2ccc(C)cc2n1CCCCNc1cccc(C(F)(F)F)c1,C21H24F3N3,375.4,5.8,29.9,1.0,5.0,7.0,27.0 +lb_00786,FC(F)(F)c1cccc(-c2nc3ccccc3n2C(c2ccccc2)c2nc3ccccc3[nH]2)c1,C28H19F3N4,468.5,6.9,46.5,1.0,5.0,4.0,35.0 +lb_00787,CC(C)(C)c1nc2ccccc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12,C21H19F2N3O,367.4,3.9,46.9,1.0,4.0,3.0,27.0 +lb_00788,Cn1c(NC(=S)N2CCN(c3cccc(C(F)(F)F)c3)CC2)nc2ccccc21,C20H20F3N5S,419.5,4.0,68.4,1.0,6.0,2.0,29.0 +lb_00789,FC(F)(F)c1nc2ccccc2n1Cc1ccc(-c2ccccc2)c(-c2nn[nH]n2)c1,C22H15F3N6,420.4,4.8,72.3,1.0,7.0,4.0,31.0 +lb_00790,Fc1ccc(CN2CCC(Cn3c(C(F)(F)F)nc4ccccc43)CC2)cc1,C21H21F4N3,391.4,4.7,21.1,0.0,6.0,4.0,28.0 +lb_00791,Fc1ccccc1CN1CCC(Cn2c(C(F)(F)F)nc3ccccc32)CC1,C21H21F4N3,391.4,4.7,21.1,0.0,6.0,4.0,28.0 +lb_00792,FC(F)(F)c1nc2ccccc2n1CC1CCCCN1Cc1ccccc1,C21H22F3N3,373.4,4.7,21.1,0.0,5.0,4.0,27.0 +lb_00793,CCN1CCC(N2CCC(n3c(C)nc4cc(C(F)(F)F)ccc43)CC2)CC1,C21H29F3N4,394.5,4.2,24.3,0.0,6.0,3.0,28.0 +lb_00794,C[C@H](N)c1nc2cc(C(F)(F)F)ccc2n1Cc1cccc(F)c1,C17H15F4N3,337.31,3.3,43.8,1.0,6.0,3.0,24.0 +lb_00795,CCCCCCCn1c(-c2cc(-c3ccc(C)cc3)nc(N)n2)nc2ccccc21,C25H29N5,399.5,5.9,69.6,1.0,4.0,8.0,30.0 +lb_00796,CCCCCCCCn1c(-c2cc(-c3ccc(C)cc3)nc(N)n2)nc2ccccc21,C26H31N5,413.6,6.4,69.6,1.0,4.0,9.0,31.0 +lb_00797,CCCCCCn1c(-c2cc(-c3ccc(C)cc3)nc(N)n2)nc2ccccc21,C24H27N5,385.5,5.4,69.6,1.0,4.0,7.0,29.0 +lb_00798,Cc1cccc(Cn2c(CN3CCCCC3)nc3ccccc32)c1,C21H25N3,319.4,4.1,21.1,0.0,2.0,4.0,24.0 +lb_00799,Cc1cccc(Cn2c(CN3CCCC3)nc3ccccc32)c1.Cl.Cl,C20H25Cl2N3,378.3,,21.1,2.0,2.0,4.0,25.0 +lb_00800,Cc1ccc(Cn2c(/C=C/c3ccc(F)cc3)nc3ccccc32)cc1,C23H19FN2,342.4,5.8,17.8,0.0,2.0,4.0,26.0 +lb_00801,Cc1ccc(Cn2c(C=Cc3ccc(F)cc3)nc3ccccc32)cc1,C23H19FN2,342.4,5.8,17.8,0.0,2.0,4.0,26.0 +lb_00802,CN(C)CCn1c(Cc2cccc(F)c2)nc2ccccc21,C18H20FN3,297.4,3.5,21.1,0.0,3.0,5.0,22.0 +lb_00803,Cc1ccc(/C=C/c2nc3ccccc3n2Cc2ccccc2F)cc1,C23H19FN2,342.4,5.8,17.8,0.0,2.0,4.0,26.0 +lb_00804,CCc1nc2cc(C(F)(F)F)ccc2n1CCCN(CC)CC,C17H24F3N3,327.4,4.2,21.1,0.0,5.0,7.0,23.0 +lb_00805,CCN(CC)CCn1c(C(C)C)nc2cc(C(F)(F)F)ccc21,C17H24F3N3,327.4,4.2,21.1,0.0,5.0,6.0,23.0 +lb_00806,CCCc1nc2cc(C(F)(F)F)ccc2n1CCN(CC)CC,C17H24F3N3,327.4,4.2,21.1,0.0,5.0,7.0,23.0 +lb_00807,CCC(c1ccccc1)c1nc2cc(C(F)(F)F)ccc2n1C(C)CC,C21H23F3N2,360.4,6.2,17.8,0.0,4.0,5.0,26.0 +lb_00808,CCCn1c(C2CCCCC2)nc2cc(C(F)(F)F)ccc21,C17H21F3N2,310.36,5.4,17.8,0.0,4.0,3.0,22.0 +lb_00809,CCc1nc2ccccc2n1Cc1cc(CN)ccc1F,C17H18FN3,283.34,2.8,43.8,1.0,3.0,4.0,21.0 +lb_00810,CCc1nc2ccccc2n1Cc1ccc(CN)cc1F,C17H18FN3,283.34,2.8,43.8,1.0,3.0,4.0,21.0 +lb_00811,Cc1cccc(NCc2nc3ccccc3n2Cc2ccccc2)c1,C22H21N3,327.4,4.9,29.9,1.0,2.0,5.0,25.0 +lb_00812,FC(F)(F)c1cc(-c2nc3cccnc3n2C2CCCC2)cc(C(F)(F)F)c1,C19H15F6N3,399.3,5.3,30.7,0.0,8.0,2.0,28.0 +lb_00813,CCC(O)c1nc2ccccc2n1Cc1cc(C)ccc1C,C19H22N2O,294.4,3.8,38.1,1.0,2.0,4.0,22.0 +lb_00814,CC(C)[C@H](N)c1nc2ccccc2n1Cc1cccc(F)c1,C18H20FN3,297.4,3.4,43.8,1.0,3.0,4.0,22.0 +lb_00815,Cc1ccc(C)c(Cn2c(CCCO)nc3ccccc32)c1,C19H22N2O,294.4,3.7,38.1,1.0,2.0,5.0,22.0 +lb_00816,C=CCn1c(-c2ccc(N(C)C)cc2)nc2ccccc21,C18H19N3,277.4,4.0,21.1,0.0,2.0,4.0,21.0 +lb_00817,C=C(Cn1cnc2ccccc21)c1ccc(C(F)(F)F)cc1,C17H13F3N2,302.29,5.0,17.8,0.0,4.0,3.0,22.0 +lb_00818,CCCCc1nc2ccccc2n1Cc1ccccc1F,C18H19FN2,282.4,4.9,17.8,0.0,2.0,5.0,21.0 +lb_00819,CCc1ccc(Cn2c(C(F)(F)F)nc3cc(C)ccc32)cc1,C18H17F3N2,318.3,5.1,17.8,0.0,4.0,3.0,23.0 +lb_00820,Cc1n(Cc2ccccc2)c2cc(C(F)(F)F)ccc2[n+]1C,C17H16F3N2+,305.32,4.4,8.8,0.0,3.0,2.0,22.0 +lb_00821,CCCCc1nc2ccccc2n1Cc1ccc(F)cc1,C18H19FN2,282.4,4.9,17.8,0.0,2.0,5.0,21.0 +lb_00822,CCCn1c(C=Cc2ccc(F)cc2)nc2ccccc21,C18H17FN2,280.3,4.7,17.8,0.0,2.0,4.0,21.0 +lb_00823,CCCn1c(/C=C/c2ccc(F)cc2)nc2ccccc21,C18H17FN2,280.3,4.7,17.8,0.0,2.0,4.0,21.0 +lb_00824,CC(Cl)c1nc2ccccc2n1CCc1ccc(F)cc1,C17H16ClFN2,302.8,4.3,17.8,0.0,2.0,4.0,21.0 +lb_00825,CC(Cl)c1nc2ccccc2n1CCc1ccccc1F,C17H16ClFN2,302.8,4.3,17.8,0.0,2.0,4.0,21.0 +lb_00826,CCC(C)n1c(C(C)(C)C)nc2cc(C(F)(F)F)ccc21,C16H21F3N2,298.35,5.3,17.8,0.0,4.0,3.0,21.0 +lb_00827,CCn1c(CNCc2ccccc2F)nc2ccccc21,C17H18FN3,283.34,2.7,29.9,1.0,3.0,5.0,21.0 +lb_00828,CCn1c(CNCc2ccc(F)cc2)nc2ccccc21,C17H18FN3,283.34,2.7,29.9,1.0,3.0,5.0,21.0 +lb_00829,Cc1ccccc1Cn1c(CN2CCCC2)nc2ccccc21,C20H23N3,305.4,3.8,21.1,0.0,2.0,4.0,23.0 +lb_00830,Cc1ccc(Cn2c(CCCO)nc3ccccc32)cc1,C18H20N2O,280.4,3.4,38.1,1.0,2.0,5.0,21.0 +lb_00831,CCc1nc2ccccc2n1CCCCNc1ccccc1,C19H23N3,293.4,4.6,29.9,1.0,2.0,7.0,22.0 +lb_00832,CCCn1c(NCc2ccccc2C)nc2ccccc21,C18H21N3,279.4,4.4,29.9,1.0,2.0,5.0,21.0 +lb_00833,Cc1ccccc1Cn1c(CCCO)nc2ccccc21,C18H20N2O,280.4,3.4,38.1,1.0,2.0,5.0,21.0 +lb_00834,Fc1ccc(Cn2c(-c3ccccn3)nc3ccccc32)cc1,C19H14FN3,303.3,3.8,30.7,0.0,3.0,3.0,23.0 +lb_00835,CCCn1c(/C=C/c2ccccc2)nc2ccccc21,C18H18N2,262.3,4.6,17.8,0.0,1.0,4.0,20.0 +lb_00836,CC(C)Cc1nc2ccccc2n1CCc1ccccc1,C19H22N2,278.4,5.0,17.8,0.0,1.0,5.0,21.0 +lb_00837,CCCCc1nc2ccccc2n1Cc1ccccc1,C18H20N2,264.4,4.8,17.8,0.0,1.0,5.0,20.0 +lb_00838,CCCCn1c(Cc2ccccc2)nc2ccccc21,C18H20N2,264.4,4.6,17.8,0.0,1.0,5.0,20.0 +lb_00839,CC(C)(C)c1ccc(-n2c(C(F)(F)F)nc3ccc(C(C)(C)C)cc32)cc1,C22H25F3N2,374.4,7.4,17.8,0.0,4.0,3.0,27.0 +lb_00840,Cn1c(-c2ccc(C(F)(F)F)cc2)nc2cc(F)c(F)cc21,C15H9F5N2,312.24,4.2,17.8,0.0,6.0,1.0,22.0 +lb_00841,FCCn1c(C#Cc2ccccc2)nc2ccccc21,C17H13FN2,264.30,3.8,17.8,0.0,2.0,4.0,20.0 +lb_00842,Cc1ccc(-c2nc3cc(C(F)(F)F)ccc3n2C)cc1,C16H13F3N2,290.28,4.3,17.8,0.0,4.0,1.0,21.0 +lb_00843,CC(C)n1c(C(C)(C)C)nc2cc(C(F)(F)F)ccc21,C15H19F3N2,284.32,4.7,17.8,0.0,4.0,2.0,20.0 +lb_00844,CC(=O)c1nc2ccccc2n1CCc1ccccc1,C17H16N2O,264.32,3.3,34.9,0.0,2.0,4.0,20.0 +lb_00845,OCc1nc2ccccc2n1Cc1ccccc1F,C15H13FN2O,256.27,2.3,38.1,1.0,3.0,3.0,19.0 +lb_00846,C=CCn1c(C(CC)CC)nc2ccccc21,C15H20N2,228.33,4.1,17.8,0.0,1.0,5.0,17.0 +lb_00847,COCc1nc2ccccc2n1CCc1ccccc1,C17H18N2O,266.34,3.0,27.1,0.0,2.0,5.0,20.0 +lb_00848,CCn1c(CN(C)c2ccccc2)nc2ccccc21,C17H19N3,265.35,3.4,21.1,0.0,2.0,4.0,20.0 +lb_00849,OCc1nc2ccccc2n1Cc1ccc(F)cc1,C15H13FN2O,256.27,2.3,38.1,1.0,3.0,3.0,19.0 +lb_00850,CC(C)(C)c1ccc2nc(-c3ccccc3)n(O)c2c1,C17H18N2O,266.34,4.9,38.1,1.0,2.0,2.0,20.0 +lb_00851,NCc1cccc(Cn2c(N)nc3ccccc32)c1,C15H16N4,252.31,1.4,69.9,2.0,3.0,3.0,19.0 +lb_00852,CC(O)c1nc2ccccc2n1CCc1ccccc1,C17H18N2O,266.34,2.9,38.1,1.0,2.0,4.0,20.0 +lb_00853,NCc1nc2ccccc2n1Cc1ccc(F)cc1,C15H14FN3,255.29,2.0,43.8,1.0,3.0,3.0,19.0 +lb_00854,c1ccc(CCn2c(Cc3ccccc3)nc3ccccc32)cc1,C22H20N2,312.4,5.3,17.8,0.0,1.0,5.0,24.0 +lb_00855,NCc1nc2ccccc2n1Cc1ccccc1,C15H15N3,237.30,1.9,43.8,1.0,2.0,3.0,18.0 +lb_00856,Fc1cc(C(F)(F)F)ccc1CCCCN1CCn2c(nc3ccccc32)C1,C21H21F4N3,391.4,4.7,21.1,0.0,6.0,5.0,28.0 +lb_00857,CCC(C)[C@H](N)c1nc2cc(C(F)(F)F)ccc2n1Cc1cccc(C)c1,C21H24F3N3,375.4,4.9,43.8,1.0,5.0,5.0,27.0 +lb_00858,CCc1ccc2nc(C)n(C3=NC=CCN3c3ccc(C(F)(F)F)cc3)c2c1,C21H19F3N4,384.4,5.0,33.4,0.0,5.0,3.0,28.0 +lb_00859,CCc1ccc2nc(C)n(C3N=CC=CN3c3ccc(C(F)(F)F)cc3)c2c1,C21H19F3N4,384.4,5.0,33.4,0.0,6.0,3.0,28.0 +lb_00860,Fc1cccc(Cn2c(N3CCC(c4ccccc4C(F)(F)F)CC3)nc3ccccc32)c1,C26H23F4N3,453.5,6.7,21.1,0.0,6.0,4.0,33.0 +lb_00861,CC[C@H](C)[C@H](N)c1nc2cc(C(F)(F)F)ccc2n1Cc1cccc(C)c1,C21H24F3N3,375.4,4.9,43.8,1.0,5.0,5.0,27.0 +lb_00862,FC(F)(F)c1ccc2c(c1)nc(-c1ccccc1)n2C[C@@H]1CCCN2CCCC[C@H]12,C24H26F3N3,413.5,5.6,21.1,0.0,5.0,3.0,30.0 +lb_00863,CC(C)=CCCC(C)CCn1c(-c2ccccc2F)nc2ccccc21,C23H27FN2,350.5,6.8,17.8,0.0,2.0,7.0,26.0 +lb_00864,C=C[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2)Cc2nc3ccccc3n21,C20H18F3N3,357.4,4.2,21.1,0.0,5.0,3.0,26.0 +lb_00865,CCn1c(-c2ccccc2-c2ccc(C)cc2C)nc2cc(C(F)(F)CC)ccc21,C26H26F2N2,404.5,7.1,17.8,0.0,3.0,5.0,30.0 +lb_00866,FC(F)(F)c1nc2ccccc2n1CC1CCCN(Cc2ccccc2)C1,C21H22F3N3,373.4,4.6,21.1,0.0,5.0,4.0,27.0 +lb_00867,CC(C)Cc1ccc(C(C)(C)c2nc3ccccc3n2Cc2ccccc2Cl)cc1,C27H29ClN2,417.0,8.1,17.8,0.0,1.0,6.0,30.0 +lb_00868,Cc1cccc(C(C)(C)C)c1NC(=O)Cn1c(-c2ccccc2)nc2ccccc21,C26H27N3O,397.5,6.1,46.9,1.0,2.0,5.0,30.0 +lb_00869,Cn1c(C(F)F)nc2ccccc21,C9H8F2N2,182.17,2.1,17.8,0.0,3.0,1.0,13.0 +lb_00870,Cc1ccc(NCc2nc3ccccc3n2Cc2ccc(F)cc2F)cc1,C22H19F2N3,363.4,5.1,29.9,1.0,4.0,5.0,27.0 +lb_00871,Cn1c(CN2CCN(c3ccccc3C(F)(F)F)CC2)nc2ccccc21,C20H21F3N4,374.4,3.8,24.3,0.0,6.0,3.0,27.0 +lb_00872,CCC[C@H](N)c1nc2ccccc2n1Cc1cccc(C)c1,C19H23N3,293.4,3.6,43.8,1.0,2.0,5.0,22.0 +lb_00873,Cc1cccc(Cn2c([C@@H](N)CC(C)C)nc3ccccc32)c1,C20H25N3,307.4,4.0,43.8,1.0,2.0,5.0,23.0 +lb_00874,CCCn1c(CNCc2cccc(F)c2)nc2ccccc21,C18H20FN3,297.4,3.3,29.9,1.0,3.0,6.0,22.0 +lb_00875,CCc1nc2ccc(CCCc3cccc(C(F)(F)F)c3)cc2n1C,C20H21F3N2,346.4,5.9,17.8,0.0,4.0,5.0,25.0 +lb_00876,CN1CCC(c2nc3ccccc3n2Cc2cccc(F)c2)CC1,C20H22FN3,323.4,3.7,21.1,0.0,3.0,3.0,24.0 +lb_00877,Cc1ccc(Cn2c(CN3CCC(F)(F)CC3)nc3ccccc32)cc1,C21H23F2N3,355.4,4.4,21.1,0.0,4.0,4.0,26.0 +lb_00878,CC(c1nc2ccccc2n1Cc1ccccc1F)N1CCCCCC1,C22H26FN3,351.5,4.6,21.1,0.0,3.0,4.0,26.0 +lb_00879,CC(c1nc2ccccc2n1Cc1ccc(F)cc1)N1CCCCCC1,C22H26FN3,351.5,4.6,21.1,0.0,3.0,4.0,26.0 +lb_00880,CCCc1nc2cc(C(F)(F)F)ccc2n1CCCN(C)C,C16H22F3N3,313.36,3.8,21.1,0.0,5.0,6.0,22.0 +lb_00881,CCC(C)n1c(-c2cccc(C)c2)nc2cc(C(F)(F)F)ccc21,C19H19F3N2,332.4,5.6,17.8,0.0,4.0,3.0,24.0 +lb_00882,CC(C)Cn1c(C2CCCCC2)nc2cc(C(F)(F)F)ccc21,C18H23F3N2,324.4,5.8,17.8,0.0,4.0,3.0,23.0 +lb_00883,CCc1nc2ccccc2n1Cc1cc(C#N)ccc1F,C17H14FN3,279.31,3.7,41.6,0.0,3.0,3.0,21.0 +lb_00884,Cc1ccc(Cn2c(N3CCC(N(C)C)CC3)nc3ccccc32)cc1,C22H28N4,348.5,4.4,24.3,0.0,3.0,4.0,26.0 +lb_00885,CC(C)(CC#N)Cc1nc2ccccc2n1Cc1ccc(Cl)cc1,C20H20ClN3,337.8,4.8,41.6,0.0,2.0,5.0,24.0 +lb_00886,Cc1ccc(Cn2c(-c3cccc(C#N)c3)nc3ccccc32)cc1,C22H17N3,323.4,4.8,41.6,0.0,2.0,3.0,25.0 +lb_00887,CC(C)Cn1c(/C=C/c2ccc(F)cc2)nc2ccccc21,C19H19FN2,294.4,5.1,17.8,0.0,2.0,4.0,22.0 +lb_00888,C=C(C)Cn1c(-c2ccc(N(C)C)cc2)nc2ccccc21,C19H21N3,291.4,4.6,21.1,0.0,2.0,4.0,22.0 +lb_00889,CCCCCc1nc2ccccc2n1Cc1ccccc1F,C19H21FN2,296.4,5.4,17.8,0.0,2.0,6.0,22.0 +lb_00890,Cc1n(Cc2ccccc2)c2cc(C(F)(F)F)ccc2[n+]1C.[Br-],C17H16BrF3N2,385.2,,8.8,0.0,4.0,2.0,23.0 +lb_00891,CCn1c(C(N)Cc2ccc(F)cc2)nc2ccccc21,C17H18FN3,283.34,2.7,43.8,1.0,3.0,4.0,21.0 +lb_00892,CCCCCc1nc2ccccc2n1Cc1c(F)cccc1F,C19H20F2N2,314.4,5.5,17.8,0.0,3.0,6.0,23.0 +lb_00893,Cc1cc(F)cc(C)c1CNCc1nc2ccccc2n1C,C18H20FN3,297.4,3.2,29.9,1.0,3.0,4.0,22.0 +lb_00894,FC(F)(F)CC1Cn2c(nc3ccccc32)-c2ccccc21,C17H13F3N2,302.29,4.3,17.8,0.0,4.0,1.0,22.0 +lb_00895,CCCCCc1nc2ccccc2n1Cc1ccc(F)cc1,C19H21FN2,296.4,5.4,17.8,0.0,2.0,6.0,22.0 +lb_00896,CC(C)Cn1c(C=Cc2ccc(F)cc2)nc2ccccc21,C19H19FN2,294.4,5.1,17.8,0.0,2.0,4.0,22.0 +lb_00897,Fc1ccc(-c2nc3ccccc3n2C/C=C/c2ccccc2)cc1,C22H17FN2,328.4,5.4,17.8,0.0,2.0,4.0,25.0 +lb_00898,Fc1ccccc1-c1nc2ccccc2n1C/C=C/c1ccccc1,C22H17FN2,328.4,5.4,17.8,0.0,2.0,4.0,25.0 +lb_00899,Fc1ccc(-c2nc3ccccc3n2Cc2cccc3ccccc23)cc1,C24H17FN2,352.4,6.0,17.8,0.0,2.0,3.0,27.0 +lb_00900,Fc1ccccc1-c1nc2ccccc2n1Cc1cccc2ccccc12,C24H17FN2,352.4,6.0,17.8,0.0,2.0,3.0,27.0 +lb_00901,Cc1cccc(-c2nc3cc(C(F)(F)F)ccc3n2C(C)C)c1,C18H17F3N2,318.3,5.1,17.8,0.0,4.0,2.0,23.0 +lb_00902,CC(c1nc2ccccc2n1Cc1ccccc1)N1CCCCC1,C21H25N3,319.4,4.2,21.1,0.0,2.0,4.0,24.0 +lb_00903,Cc1ccccc1Cn1c(CN2CCCC2)nc2ccccc21.Cl.Cl,C20H25Cl2N3,378.3,,21.1,2.0,2.0,4.0,25.0 +lb_00904,Cc1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1.Cl.Cl,C20H25Cl2N3,378.3,,21.1,2.0,2.0,4.0,25.0 +lb_00905,CCCn1c(NCc2ccccc2F)nc2ccccc21,C17H18FN3,283.34,4.2,29.9,1.0,3.0,5.0,21.0 +lb_00906,CCc1ccc(-c2nc3ccccc3n2Cc2ccccc2)nc1,C21H19N3,313.4,4.5,30.7,0.0,2.0,4.0,24.0 +lb_00907,Cc1ccccc1NCc1nc2ccccc2n1Cc1ccccc1,C22H21N3,327.4,4.9,29.9,1.0,2.0,5.0,25.0 +lb_00908,CC(C)Cn1c(/C=C/c2ccccc2)nc2ccccc21,C19H20N2,276.4,5.0,17.8,0.0,1.0,4.0,21.0 +lb_00909,Fc1ccc(Cn2c(Cc3ccccc3)nc3ccccc32)cc1,C21H17FN2,316.4,5.1,17.8,0.0,2.0,4.0,24.0 +lb_00910,C=C(C)Cn1c(Cc2ccccc2)nc2ccccc21,C18H18N2,262.3,4.8,17.8,0.0,1.0,4.0,20.0 +lb_00911,CCCCCc1nc2ccccc2n1Cc1ccccc1,C19H22N2,278.4,5.3,17.8,0.0,1.0,6.0,21.0 +lb_00912,Cn1c(-c2ccc(C(F)(F)F)cc2F)nc2cc(C(F)(F)F)ccc21,C16H9F7N2,362.24,5.0,17.8,0.0,8.0,1.0,25.0 +lb_00913,Cn1c(Cc2ccc(F)cc2F)nc2ccccc21,C15H12F2N2,258.27,3.6,17.8,0.0,3.0,2.0,19.0 +lb_00914,CC(C)c1ccc(Cn2c(N)nc3ccccc32)cc1,C17H19N3,265.35,3.7,43.8,1.0,2.0,3.0,20.0 +lb_00915,Cc1cccc(CCc2nc3ccccc3n2C)c1,C17H18N2,250.34,4.1,17.8,0.0,1.0,3.0,19.0 +lb_00916,CC(c1ccc(C(C)(C)C)cc1)c1nc2ccccc2n1C,C20H24N2,292.4,5.4,17.8,0.0,1.0,3.0,22.0 +lb_00917,C=CCn1c(-c2ccc(N)cc2)nc2ccccc21,C16H15N3,249.31,3.2,43.8,1.0,2.0,3.0,19.0 +lb_00918,CCc1ccccc1Nc1nc2ccccc2n1CC,C17H19N3,265.35,4.4,29.9,1.0,2.0,4.0,20.0 +lb_00919,Fc1ccccc1Cn1c(C2CC2)nc2ccccc21,C17H15FN2,266.31,3.7,17.8,0.0,2.0,3.0,20.0 +lb_00920,CCCn1c(-c2ccccc2F)nc2cc3nc(-c4ccccc4F)n(CCC)c3cc21,C26H24F2N4,430.5,6.1,35.6,0.0,4.0,6.0,32.0 +lb_00921,CC(C)c1nc2ccccc2n1Cc1ccccc1Cl,C17H17ClN2,284.8,4.8,17.8,0.0,1.0,3.0,20.0 +lb_00922,FC(F)(F)c1ccc2c(c1)ncn2Cc1ccccc1,C15H11F3N2,276.26,3.9,17.8,0.0,4.0,2.0,20.0 +lb_00923,CCCCn1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cnc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1,C23H16F12N2,548.4,8.1,17.8,0.0,13.0,5.0,37.0 +lb_00924,CCN(CC)CCCn1c(Cc2cccc3ccccc23)nc2cc(C(F)(F)F)ccc21,C26H28F3N3,439.5,6.6,21.1,0.0,5.0,8.0,32.0 +lb_00925,Cl.FC(F)(F)c1ccc2c(c1)nc(-c1ccccc1)n2CC1CCCN2CCCCC12,C24H27ClF3N3,449.9,,21.1,1.0,5.0,3.0,31.0 +lb_00926,Cc1ccc(-c2nc3ccccc3n2C(F)F)cc1,C15H12F2N2,258.27,4.3,17.8,0.0,3.0,2.0,19.0 +lb_00927,Cn1c(-c2ccccc2-c2ccccc2F)nc2ccccc21,C20H15FN2,302.3,4.8,17.8,0.0,2.0,2.0,23.0 +lb_00928,Cc1cccc2nc(CN3CCC(c4ccc(C(F)(F)F)cc4)CC3)n(C)c12,C22H24F3N3,387.4,4.8,21.1,0.0,5.0,3.0,28.0 +lb_00929,Cn1c(C(F)(F)F)nc2cc(C(C)(C)C)ccc21,C13H15F3N2,256.27,4.0,17.8,0.0,4.0,1.0,18.0 +lb_00930,CC(C)c1nc2ccccc2n1C1=NC=CCN1c1ccc(C(F)(F)F)cc1,C21H19F3N4,384.4,5.0,33.4,0.0,5.0,3.0,28.0 +lb_00931,CC(C)c1nc2ccccc2n1C1N=CC=CN1c1ccc(C(F)(F)F)cc1,C21H19F3N4,384.4,4.9,33.4,0.0,6.0,3.0,28.0 +lb_00932,Cc1nc2ccc(F)cc2n1C1N=CC(F)=CN1c1ccc(C(F)(F)F)cc1,C19H13F5N4,392.3,4.6,33.4,0.0,8.0,2.0,28.0 +lb_00933,Cc1nc2ccc(F)cc2n1C1N=CC=CN1c1ccc(C(F)(F)F)cc1,C19H14F4N4,374.3,4.3,33.4,0.0,7.0,2.0,27.0 +lb_00934,C=Cc1nc2ccccc2n1Cc1ccccc1,C16H14N2,234.29,3.8,17.8,0.0,1.0,3.0,18.0 +lb_00935,Cc1ccc(-c2nc3ccccc3n2C)c(C)c1,C16H16N2,236.31,3.8,17.8,0.0,1.0,1.0,18.0 +lb_00936,CCC(c1ccccc1)c1nc2ccccc2n1C,C17H18N2,250.34,4.1,17.8,0.0,1.0,3.0,19.0 +lb_00937,FC(F)(F)c1nc2ccccc2n1CC1CCN(C/C=C/c2ccccc2)CC1,C23H24F3N3,399.5,5.2,21.1,0.0,5.0,5.0,29.0 +lb_00938,CCC(C)n1c(Cc2cccc3ccccc23)nc2cc(C(F)(F)F)ccc21,C23H21F3N2,382.4,6.8,17.8,0.0,4.0,4.0,28.0 +lb_00939,OCc1nc2ccccc2n1CCc1ccccc1,C16H16N2O,252.31,2.5,38.1,1.0,2.0,4.0,19.0 +lb_00940,c1ccc(CNc2nc3ccccc3n2Cc2ccccc2)cc1,C21H19N3,313.4,4.8,29.9,1.0,2.0,5.0,24.0 +lb_00941,Cl.Cl.NCc1nc2ccccc2n1Cc1ccccc1,C15H17Cl2N3,310.2,,43.8,3.0,2.0,3.0,20.0 +lb_00942,CC(C)[C@H](N)c1nc2cc(C(F)(F)F)ccc2n1Cc1cccc(F)c1,C19H19F4N3,365.4,4.3,43.8,1.0,6.0,4.0,26.0 +lb_00943,c1ccc(Cn2c(C3CC3)nc3ccccc32)cc1,C17H16N2,248.32,3.6,17.8,0.0,1.0,3.0,19.0 +lb_00944,FC(F)(F)c1nc2ccccc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1,C22H15F3N6,420.4,4.8,72.3,1.0,7.0,4.0,31.0 +lb_00945,CCC[C@H](N)c1nc2ccccc2n1Cc1cccc(F)c1,C18H20FN3,297.4,3.3,43.8,1.0,3.0,5.0,22.0 +lb_00946,CCC(C)[C@H](N)c1nc2ccccc2n1Cc1cccc(C)c1,C20H25N3,307.4,4.0,43.8,1.0,2.0,5.0,23.0 +lb_00947,Cc1nc2cc(F)ccc2n1CCCN1CCC(c2ccc(F)cc2)CC1,C22H25F2N3,369.4,4.6,21.1,0.0,4.0,5.0,27.0 +lb_00948,Cc1ccc(Cn2c(CN3CC[C@@H](F)C3)nc3ccccc32)cc1,C20H22FN3,323.4,3.8,21.1,0.0,3.0,4.0,24.0 +lb_00949,Cc1ccc(Cn2c(CN3CC[C@H](F)C3)nc3ccccc32)cc1,C20H22FN3,323.4,3.8,21.1,0.0,3.0,4.0,24.0 +lb_00950,CCC(C)(c1ccccc1-c1nc2ccccc2n1-c1ccccc1)[C@@H](C)F,C25H25FN2,372.5,7.0,17.8,0.0,2.0,5.0,28.0 +lb_00951,CCC(C)c1ccc(Cn2c(-c3ccc(F)cc3)nc3ccccc32)cc1,C24H23FN2,358.4,6.5,17.8,0.0,2.0,5.0,27.0 +lb_00952,CCC(C)c1ccc(Cn2c(-c3ccccc3F)nc3ccccc32)cc1,C24H23FN2,358.4,6.5,17.8,0.0,2.0,5.0,27.0 +lb_00953,CCCc1nc2cc(C(F)(F)F)ccc2n1CCCN(CC)CC,C18H26F3N3,341.4,4.6,21.1,0.0,5.0,8.0,24.0 +lb_00954,CCC(C)c1nc2cc(C(F)(F)F)ccc2n1CCN(CC)CC,C18H26F3N3,341.4,4.5,21.1,0.0,5.0,7.0,24.0 +lb_00955,CC[C@@H](CN(C)Cc1ccccc1)n1c(C(F)(F)F)nc2ccccc21,C20H22F3N3,361.4,4.8,21.1,0.0,5.0,6.0,26.0 +lb_00956,CC[C@H](CN(C)Cc1ccccc1)n1c(C(F)(F)F)nc2ccccc21,C20H22F3N3,361.4,4.8,21.1,0.0,5.0,6.0,26.0 +lb_00957,CCC(CN(C)Cc1ccccc1)n1c(C(F)(F)F)nc2ccccc21,C20H22F3N3,361.4,4.8,21.1,0.0,5.0,6.0,26.0 +lb_00958,CN(C)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1,C21H25FN4,352.4,4.2,24.3,0.0,4.0,4.0,26.0 +lb_00959,CC(C)C[C@H](N)c1nc2ccccc2n1Cc1cccc(F)c1,C19H22FN3,311.4,3.7,43.8,1.0,3.0,5.0,23.0 +lb_00960,Cc1ccccc1-c1nc2ccccc2n1C,C15H14N2,222.28,3.5,17.8,0.0,1.0,1.0,17.0 +lb_00961,Cn1c(-c2ccc(-c3ccccc3)cc2)nc2ccccc21,C20H16N2,284.4,4.7,17.8,0.0,1.0,2.0,22.0 +lb_00962,Cc1ccc(-c2nc3ccccc3n2C)cc1,C15H14N2,222.28,3.5,17.8,0.0,1.0,1.0,17.0 +lb_00963,CCCCn1c(/C=C/c2ccc(F)cc2)nc2ccccc21,C19H19FN2,294.4,5.0,17.8,0.0,2.0,5.0,22.0 +lb_00964,Cc1cccc(/C(=N\C(F)(F)F)n2cnc3ccccc32)c1,C16H12F3N3,303.28,4.6,30.2,0.0,5.0,2.0,22.0 +lb_00965,Cn1c(NCc2ccc(C(C)(C)C)cc2)nc2cc(C(F)(F)F)ccc21,C20H22F3N3,361.4,5.8,29.9,1.0,5.0,4.0,26.0 +lb_00966,CCn1c(C)[n+](Cc2ccccc2)c2ccc(C(F)(F)F)cc21,C18H18F3N2+,319.3,4.7,8.8,0.0,3.0,3.0,23.0 +lb_00967,CCN(CC)Cn1c(C=Cc2ccc(C)cc2)nc2ccccc21,C21H25N3,319.4,4.9,21.1,0.0,2.0,6.0,24.0 +lb_00968,CCCCn1c(C=Cc2ccc(F)cc2)nc2ccccc21,C19H19FN2,294.4,5.0,17.8,0.0,2.0,5.0,22.0 +lb_00969,CN(Cc1ccccc1)c1nc2ccccc2n1Cc1ccc(F)cc1,C22H20FN3,345.4,5.1,21.1,0.0,3.0,5.0,26.0 +lb_00970,N#CCc1nc2ccccc2n1Cc1cccc(F)c1F,C16H11F2N3,283.27,2.9,41.6,0.0,4.0,3.0,21.0 +lb_00971,Cc1ccc(Cn2c(CC3CCCC3)nc3ccccc32)cc1,C21H24N2,304.4,5.9,17.8,0.0,1.0,4.0,23.0 +lb_00972,Cn1cc(-c2nc3ccccc3n2Cc2ccccc2)ccc1=O,C20H17N3O,315.4,2.7,38.1,0.0,2.0,3.0,24.0 +lb_00973,FC(F)(F)c1cccc(Cn2c(C(F)(F)F)nc3cc(Cl)c(Cl)cc32)c1,C16H8Cl2F6N2,413.1,6.1,17.8,0.0,7.0,2.0,26.0 +lb_00974,Cc1ccc(Cn2c(-c3ccc(C#N)cc3)nc3ccccc32)cc1,C22H17N3,323.4,4.8,41.6,0.0,2.0,3.0,25.0 +lb_00975,Fc1ccc(-c2nc3ccccc3n2CN2CCOCC2)cc1,C18H18FN3O,311.4,2.9,30.3,0.0,4.0,3.0,23.0 +lb_00976,CCCn1c(-c2ccc(F)c(C(F)(F)F)c2)nc2cc3nc(-c4ccc(F)c(C(F)(F)F)c4)n(CCC)c3cc21,C28H22F8N4,566.5,7.9,35.6,0.0,10.0,6.0,40.0 +lb_00977,CN1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1,C19H21FN4,324.4,3.4,24.3,0.0,4.0,3.0,24.0 +lb_00978,CCCCN(CCCC)CCCn1c(Cc2cccc3ccccc23)nc2cc(C(F)(F)F)ccc21,C30H36F3N3,495.6,8.4,21.1,0.0,5.0,12.0,36.0 +lb_00979,CC(C)c1nc2ccccc2n1Cc1cccc2ccccc12,C21H20N2,300.4,5.4,17.8,0.0,1.0,3.0,23.0 +lb_00980,Fc1ccccc1Cn1c(Cc2ccccc2)nc2ccccc21,C21H17FN2,316.4,5.1,17.8,0.0,2.0,4.0,24.0 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+lb_00648,CC(C)c1ccc(N2CCC(Cn3c(C(F)(F)F)nc4ccccc43)CC2)cc1,database,PubChem,retrieved,CID:172455764,0.328125,c1ccc(N2CCC(Cn3cnc4ccccc43)CC2)cc1,0,90.0,False,ref_nutlin3a_prelim,C23H26F3N3,401.5,6.0,21.1,0.0,5.0,4.0,29.0,20260425 diff --git a/data/ligands/prelim_set_mdm2_4hg7/similarity_distribution.csv b/data/ligands/prelim_set_mdm2_4hg7/similarity_distribution.csv new file mode 100644 index 0000000000000000000000000000000000000000..2a03dd2ede5ee2bc0314cf5ff8f00792020b9609 --- /dev/null +++ b/data/ligands/prelim_set_mdm2_4hg7/similarity_distribution.csv @@ -0,0 +1,21 @@ +bin_left,bin_right,count,fraction +0.0,0.05,0,0.0 +0.05,0.1,0,0.0 +0.1,0.15000000000000002,0,0.0 +0.15000000000000002,0.2,0,0.0 +0.2,0.25,0,0.0 +0.25,0.30000000000000004,0,0.0 +0.30000000000000004,0.35000000000000003,552,0.552 +0.35000000000000003,0.4,285,0.285 +0.4,0.45,111,0.111 +0.45,0.5,40,0.04 +0.5,0.55,8,0.008 +0.55,0.6000000000000001,2,0.002 +0.6000000000000001,0.65,0,0.0 +0.65,0.7000000000000001,1,0.001 +0.7000000000000001,0.75,0,0.0 +0.75,0.8,0,0.0 +0.8,0.8500000000000001,0,0.0 +0.8500000000000001,0.9,0,0.0 +0.9,0.9500000000000001,0,0.0 +0.9500000000000001,1.0,1,0.001 diff --git a/data/ligands/prelim_three_sets_manifest.json b/data/ligands/prelim_three_sets_manifest.json new file mode 100644 index 0000000000000000000000000000000000000000..6534b54c4c6dc042d9a64c0f54a28c783dfe399c --- /dev/null +++ b/data/ligands/prelim_three_sets_manifest.json @@ -0,0 +1,32 @@ +{ + "run_name": "prepare_three_new_sets", + "datasets": [ + { + "ligands_dir": "data/ligands/prelim_set_egfr_4wkq", + "target_path": "data/targets/prelim_set_egfr_4wkq/egfr_4wkq.pdb", + "shared_library": "data/ligands/prelim_set_egfr_4wkq/shared_library_shuffled.csv", + "reference_csv": "data/ligands/prelim_set_egfr_4wkq/reference_ligands.csv", + "reference_id": "ref_gefitinib_prelim", + "reference_comp_id": "IRE", + "library_size": 1000 + }, + { + "ligands_dir": "data/ligands/prelim_set_abl1_1iep", + "target_path": "data/targets/prelim_set_abl1_1iep/abl1_1iep.pdb", + "shared_library": "data/ligands/prelim_set_abl1_1iep/shared_library_shuffled.csv", + "reference_csv": "data/ligands/prelim_set_abl1_1iep/reference_ligands.csv", + "reference_id": "ref_imatinib_prelim", + "reference_comp_id": "STI", + "library_size": 1000 + }, + { + "ligands_dir": "data/ligands/prelim_set_mdm2_4hg7", + "target_path": "data/targets/prelim_set_mdm2_4hg7/mdm2_4hg7.pdb", + "shared_library": "data/ligands/prelim_set_mdm2_4hg7/shared_library_shuffled.csv", + "reference_csv": "data/ligands/prelim_set_mdm2_4hg7/reference_ligands.csv", + "reference_id": "ref_nutlin3a_prelim", + "reference_comp_id": "NUT", + "library_size": 1000 + } + ] +} \ No newline at end of file diff --git a/data/ligands/smoke_ligands.csv b/data/ligands/smoke_ligands.csv new file mode 100644 index 0000000000000000000000000000000000000000..0a96928530a44d8c6fb3e78703b8a1eb8fe2890a --- /dev/null +++ b/data/ligands/smoke_ligands.csv @@ -0,0 +1,7 @@ +ligand_id,smiles +smk_001,CCO +smk_002,CCN(CC)CC +smk_003,c1ccccc1O +smk_004,CC(=O)Oc1ccccc1C(=O)O +smk_005,CN1CCC(CC1)C2=CN=CC=C2 +smk_006,CC(C)NCC(O)CO diff --git a/data/targets/.DS_Store b/data/targets/.DS_Store new file mode 100644 index 0000000000000000000000000000000000000000..ed00a82fc570e92ea9a3591b850f52bf0fd688e3 Binary files /dev/null and b/data/targets/.DS_Store differ diff --git a/data/targets/budget_efficiency_benchmark_A/egfr_4wkq.pdb b/data/targets/budget_efficiency_benchmark_A/egfr_4wkq.pdb new file mode 100644 index 0000000000000000000000000000000000000000..ceec6eb3872a7b8dc00cbe1218a29e2fc7bb5257 --- /dev/null +++ b/data/targets/budget_efficiency_benchmark_A/egfr_4wkq.pdb @@ -0,0 +1,5468 @@ +HEADER TRANSFERASE/TRANSFERASE INHIBITOR 03-OCT-14 4WKQ +TITLE 1.85 ANGSTROM STRUCTURE OF EGFR KINASE DOMAIN WITH GEFITINIB +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: EPIDERMAL GROWTH FACTOR RECEPTOR; +COMPND 3 CHAIN: A; +COMPND 4 FRAGMENT: UNP RESIDUES 696-1022; +COMPND 5 SYNONYM: PROTO-ONCOGENE C-ERBB-1,RECEPTOR TYROSINE-PROTEIN KINASE +COMPND 6 ERBB-1; +COMPND 7 EC: 2.7.10.1; +COMPND 8 ENGINEERED: YES +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; +SOURCE 3 ORGANISM_COMMON: HUMAN; +SOURCE 4 ORGANISM_TAXID: 9606; +SOURCE 5 CELL_LINE: SF9; +SOURCE 6 GENE: EGFR, ERBB, ERBB1, HER1; +SOURCE 7 EXPRESSION_SYSTEM: SPODOPTERA FRUGIPERDA; +SOURCE 8 EXPRESSION_SYSTEM_TAXID: 7108; +SOURCE 9 EXPRESSION_SYSTEM_CELL_LINE: SF9; +SOURCE 10 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; +SOURCE 11 EXPRESSION_SYSTEM_PLASMID: PFASTBACHTB +KEYWDS INHIBITOR, COMPLEX, KINASE, EPIDERMAL GROWTH FACTOR RECEPTOR, +KEYWDS 2 TRANSFERASE, TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX +EXPDTA X-RAY DIFFRACTION +AUTHOR Y.YOSAATMADJA,C.J.SQUIRE +REVDAT 3 27-MAR-24 4WKQ 1 REMARK +REVDAT 2 27-SEP-23 4WKQ 1 SOURCE REMARK LINK +REVDAT 1 05-NOV-14 4WKQ 0 +JRNL AUTH Y.YOSAATMADJA,C.J.SQUIRE,M.MCKEAGE,J.U.FLANAGAN +JRNL TITL 1.85 ANGSTROM STRUCTURE OF EGFR KINASE DOMAIN WITH GEFITINIB +JRNL REF TO BE PUBLISHED +JRNL REFN +REMARK 2 +REMARK 2 RESOLUTION. 1.85 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : REFMAC 5.8.0071 +REMARK 3 AUTHORS : MURSHUDOV,SKUBAK,LEBEDEV,PANNU,STEINER, +REMARK 3 : NICHOLLS,WINN,LONG,VAGIN +REMARK 3 +REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.85 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 100.00 +REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL +REMARK 3 COMPLETENESS FOR RANGE (%) : 99.8 +REMARK 3 NUMBER OF REFLECTIONS : 40025 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT +REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM +REMARK 3 R VALUE (WORKING + TEST SET) : 0.196 +REMARK 3 R VALUE (WORKING SET) : 0.194 +REMARK 3 FREE R VALUE : 0.225 +REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.800 +REMARK 3 FREE R VALUE TEST SET COUNT : 1997 +REMARK 3 +REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. +REMARK 3 TOTAL NUMBER OF BINS USED : 20 +REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.85 +REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.90 +REMARK 3 REFLECTION IN BIN (WORKING SET) : 2933 +REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 99.80 +REMARK 3 BIN R VALUE (WORKING SET) : 0.3590 +REMARK 3 BIN FREE R VALUE SET COUNT : 137 +REMARK 3 BIN FREE R VALUE : 0.3840 +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 2317 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 44 +REMARK 3 SOLVENT ATOMS : 121 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : NULL +REMARK 3 MEAN B VALUE (OVERALL, A**2) : 43.06 +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : 0.00000 +REMARK 3 B22 (A**2) : 0.00000 +REMARK 3 B33 (A**2) : 0.00000 +REMARK 3 B12 (A**2) : 0.00000 +REMARK 3 B13 (A**2) : 0.00000 +REMARK 3 B23 (A**2) : 0.00000 +REMARK 3 +REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. +REMARK 3 ESU BASED ON R VALUE (A): 0.106 +REMARK 3 ESU BASED ON FREE R VALUE (A): 0.106 +REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.095 +REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 6.519 +REMARK 3 +REMARK 3 CORRELATION COEFFICIENTS. +REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.967 +REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.959 +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT +REMARK 3 BOND LENGTHS REFINED ATOMS (A): 2441 ; 0.013 ; 0.019 +REMARK 3 BOND LENGTHS OTHERS (A): 2357 ; 0.002 ; 0.020 +REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 3317 ; 1.685 ; 1.995 +REMARK 3 BOND ANGLES OTHERS (DEGREES): 5426 ; 1.040 ; 3.006 +REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 301 ; 6.175 ; 5.000 +REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 99 ;37.132 ;24.040 +REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 417 ;14.545 ;15.000 +REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 14 ;20.989 ;15.000 +REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 373 ; 0.095 ; 0.200 +REMARK 3 GENERAL PLANES REFINED ATOMS (A): 2680 ; 0.007 ; 0.021 +REMARK 3 GENERAL PLANES OTHERS (A): 520 ; 0.001 ; 0.020 +REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL +REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL +REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL +REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY VDW REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL +REMARK 3 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT +REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 1192 ; 2.208 ; 2.783 +REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): 1191 ; 2.198 ; 2.779 +REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1485 ; 3.353 ; 4.142 +REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): 1486 ; 3.352 ; 4.147 +REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 1249 ; 2.905 ; 3.121 +REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): 1249 ; 2.905 ; 3.121 +REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): 1829 ; 4.465 ; 4.553 +REMARK 3 LONG RANGE B REFINED ATOMS (A**2): 2821 ; 6.324 ;22.941 +REMARK 3 LONG RANGE B OTHER ATOMS (A**2): 2820 ; 6.325 ;22.924 +REMARK 3 +REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT +REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL +REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 +REMARK 3 NCS RESTRAINTS STATISTICS +REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL +REMARK 3 +REMARK 3 TLS DETAILS +REMARK 3 NUMBER OF TLS GROUPS : 1 +REMARK 3 +REMARK 3 TLS GROUP : 1 +REMARK 3 NUMBER OF COMPONENTS GROUP : 1 +REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI +REMARK 3 RESIDUE RANGE : A 697 A 1018 +REMARK 3 ORIGIN FOR THE GROUP (A): 9.3940 202.1820 23.8660 +REMARK 3 T TENSOR +REMARK 3 T11: 0.0873 T22: 0.0158 +REMARK 3 T33: 0.0242 T12: -0.0075 +REMARK 3 T13: 0.0272 T23: 0.0004 +REMARK 3 L TENSOR +REMARK 3 L11: 2.8111 L22: 0.9190 +REMARK 3 L33: 2.3724 L12: 0.2362 +REMARK 3 L13: -1.0550 L23: -0.2241 +REMARK 3 S TENSOR +REMARK 3 S11: -0.1264 S12: -0.0470 S13: -0.2248 +REMARK 3 S21: -0.0150 S22: -0.0207 S23: 0.0288 +REMARK 3 S31: 0.3623 S32: -0.1177 S33: 0.1471 +REMARK 3 +REMARK 3 BULK SOLVENT MODELLING. +REMARK 3 METHOD USED : MASK +REMARK 3 PARAMETERS FOR MASK CALCULATION +REMARK 3 VDW PROBE RADIUS : 1.20 +REMARK 3 ION PROBE RADIUS : 0.80 +REMARK 3 SHRINKAGE RADIUS : 0.80 +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE RIDING +REMARK 3 POSITIONS +REMARK 4 +REMARK 4 4WKQ COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 03-OCT-14. +REMARK 100 THE DEPOSITION ID IS D_1000203992. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : 16-SEP-14 +REMARK 200 TEMPERATURE (KELVIN) : 100 +REMARK 200 PH : 7.0 +REMARK 200 NUMBER OF CRYSTALS USED : NULL +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : Y +REMARK 200 RADIATION SOURCE : AUSTRALIAN SYNCHROTRON +REMARK 200 BEAMLINE : MX1 +REMARK 200 X-RAY GENERATOR MODEL : NULL +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 0.9537 +REMARK 200 MONOCHROMATOR : NULL +REMARK 200 OPTICS : NULL +REMARK 200 +REMARK 200 DETECTOR TYPE : CCD +REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 315R +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : NULL +REMARK 200 DATA SCALING SOFTWARE : NULL +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 42074 +REMARK 200 RESOLUTION RANGE HIGH (A) : 1.850 +REMARK 200 RESOLUTION RANGE LOW (A) : 101.620 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 99.9 +REMARK 200 DATA REDUNDANCY : 40.60 +REMARK 200 R MERGE (I) : NULL +REMARK 200 R SYM (I) : NULL +REMARK 200 FOR THE DATA SET : 19.4000 +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.85 +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.89 +REMARK 200 COMPLETENESS FOR SHELL (%) : 99.9 +REMARK 200 DATA REDUNDANCY IN SHELL : 20.30 +REMARK 200 R MERGE FOR SHELL (I) : NULL +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 FOR SHELL : 1.000 +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT +REMARK 200 SOFTWARE USED: NULL +REMARK 200 STARTING MODEL: 2ITY +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 62.63 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.29 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1 M MES, PH 7.0, 1 M SODIUM CITRATE, +REMARK 280 VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 291K +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: I 2 3 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -X,-Y,Z +REMARK 290 3555 -X,Y,-Z +REMARK 290 4555 X,-Y,-Z +REMARK 290 5555 Z,X,Y +REMARK 290 6555 Z,-X,-Y +REMARK 290 7555 -Z,-X,Y +REMARK 290 8555 -Z,X,-Y +REMARK 290 9555 Y,Z,X +REMARK 290 10555 -Y,Z,-X +REMARK 290 11555 Y,-Z,-X +REMARK 290 12555 -Y,-Z,X +REMARK 290 13555 X+1/2,Y+1/2,Z+1/2 +REMARK 290 14555 -X+1/2,-Y+1/2,Z+1/2 +REMARK 290 15555 -X+1/2,Y+1/2,-Z+1/2 +REMARK 290 16555 X+1/2,-Y+1/2,-Z+1/2 +REMARK 290 17555 Z+1/2,X+1/2,Y+1/2 +REMARK 290 18555 Z+1/2,-X+1/2,-Y+1/2 +REMARK 290 19555 -Z+1/2,-X+1/2,Y+1/2 +REMARK 290 20555 -Z+1/2,X+1/2,-Y+1/2 +REMARK 290 21555 Y+1/2,Z+1/2,X+1/2 +REMARK 290 22555 -Y+1/2,Z+1/2,-X+1/2 +REMARK 290 23555 Y+1/2,-Z+1/2,-X+1/2 +REMARK 290 24555 -Y+1/2,-Z+1/2,X+1/2 +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 SMTRY1 5 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY2 5 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY3 5 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY1 6 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY2 6 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY3 6 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY1 7 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 SMTRY2 7 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY3 7 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY1 8 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 SMTRY2 8 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY3 8 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY1 9 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY2 9 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY3 9 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY1 10 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY2 10 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY3 10 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY1 11 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY2 11 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 SMTRY3 11 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY1 12 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY2 12 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 SMTRY3 12 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY1 13 1.000000 0.000000 0.000000 71.85700 +REMARK 290 SMTRY2 13 0.000000 1.000000 0.000000 71.85700 +REMARK 290 SMTRY3 13 0.000000 0.000000 1.000000 71.85700 +REMARK 290 SMTRY1 14 -1.000000 0.000000 0.000000 71.85700 +REMARK 290 SMTRY2 14 0.000000 -1.000000 0.000000 71.85700 +REMARK 290 SMTRY3 14 0.000000 0.000000 1.000000 71.85700 +REMARK 290 SMTRY1 15 -1.000000 0.000000 0.000000 71.85700 +REMARK 290 SMTRY2 15 0.000000 1.000000 0.000000 71.85700 +REMARK 290 SMTRY3 15 0.000000 0.000000 -1.000000 71.85700 +REMARK 290 SMTRY1 16 1.000000 0.000000 0.000000 71.85700 +REMARK 290 SMTRY2 16 0.000000 -1.000000 0.000000 71.85700 +REMARK 290 SMTRY3 16 0.000000 0.000000 -1.000000 71.85700 +REMARK 290 SMTRY1 17 0.000000 0.000000 1.000000 71.85700 +REMARK 290 SMTRY2 17 1.000000 0.000000 0.000000 71.85700 +REMARK 290 SMTRY3 17 0.000000 1.000000 0.000000 71.85700 +REMARK 290 SMTRY1 18 0.000000 0.000000 1.000000 71.85700 +REMARK 290 SMTRY2 18 -1.000000 0.000000 0.000000 71.85700 +REMARK 290 SMTRY3 18 0.000000 -1.000000 0.000000 71.85700 +REMARK 290 SMTRY1 19 0.000000 0.000000 -1.000000 71.85700 +REMARK 290 SMTRY2 19 -1.000000 0.000000 0.000000 71.85700 +REMARK 290 SMTRY3 19 0.000000 1.000000 0.000000 71.85700 +REMARK 290 SMTRY1 20 0.000000 0.000000 -1.000000 71.85700 +REMARK 290 SMTRY2 20 1.000000 0.000000 0.000000 71.85700 +REMARK 290 SMTRY3 20 0.000000 -1.000000 0.000000 71.85700 +REMARK 290 SMTRY1 21 0.000000 1.000000 0.000000 71.85700 +REMARK 290 SMTRY2 21 0.000000 0.000000 1.000000 71.85700 +REMARK 290 SMTRY3 21 1.000000 0.000000 0.000000 71.85700 +REMARK 290 SMTRY1 22 0.000000 -1.000000 0.000000 71.85700 +REMARK 290 SMTRY2 22 0.000000 0.000000 1.000000 71.85700 +REMARK 290 SMTRY3 22 -1.000000 0.000000 0.000000 71.85700 +REMARK 290 SMTRY1 23 0.000000 1.000000 0.000000 71.85700 +REMARK 290 SMTRY2 23 0.000000 0.000000 -1.000000 71.85700 +REMARK 290 SMTRY3 23 -1.000000 0.000000 0.000000 71.85700 +REMARK 290 SMTRY1 24 0.000000 -1.000000 0.000000 71.85700 +REMARK 290 SMTRY2 24 0.000000 0.000000 -1.000000 71.85700 +REMARK 290 SMTRY3 24 1.000000 0.000000 0.000000 71.85700 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 375 +REMARK 375 SPECIAL POSITION +REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS +REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL +REMARK 375 POSITIONS. +REMARK 375 +REMARK 375 ATOM RES CSSEQI +REMARK 375 HOH A1241 LIES ON A SPECIAL POSITION. +REMARK 465 +REMARK 465 MISSING RESIDUES +REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE +REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) +REMARK 465 +REMARK 465 M RES C SSSEQI +REMARK 465 GLY A 693 +REMARK 465 GLY A 721 +REMARK 465 ALA A 722 +REMARK 465 PHE A 723 +REMARK 465 LEU A 747 +REMARK 465 ARG A 748 +REMARK 465 GLU A 749 +REMARK 465 ALA A 750 +REMARK 465 THR A 751 +REMARK 465 GLU A 985 +REMARK 465 ARG A 986 +REMARK 465 MET A 987 +REMARK 465 HIS A 988 +REMARK 465 LEU A 989 +REMARK 465 PRO A 990 +REMARK 465 SER A 991 +REMARK 465 PRO A 992 +REMARK 465 THR A 993 +REMARK 465 ASP A 994 +REMARK 465 SER A 995 +REMARK 465 ASN A 996 +REMARK 465 PHE A 997 +REMARK 465 TYR A 998 +REMARK 465 ARG A 999 +REMARK 465 ALA A 1000 +REMARK 465 LEU A 1001 +REMARK 465 MET A 1002 +REMARK 465 ASP A 1003 +REMARK 465 GLU A 1004 +REMARK 465 GLU A 1005 +REMARK 465 ASP A 1006 +REMARK 465 GLN A 1021 +REMARK 465 GLY A 1022 +REMARK 470 +REMARK 470 MISSING ATOM +REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; +REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; +REMARK 470 I=INSERTION CODE): +REMARK 470 M RES CSSEQI ATOMS +REMARK 470 LYS A 713 CG CD CE NZ +REMARK 470 LYS A 716 CG CD CE NZ +REMARK 470 SER A 720 OG +REMARK 470 GLU A 734 CG CD OE1 OE2 +REMARK 470 GLU A 736 CG CD OE1 OE2 +REMARK 470 LYS A 737 CG CD CE NZ +REMARK 470 LYS A 754 CG CD CE NZ +REMARK 470 ASN A 756 CG OD1 ND2 +REMARK 470 LYS A 757 CG CD CE NZ +REMARK 470 GLU A 758 CG CD OE1 OE2 +REMARK 470 SER A 784 OG +REMARK 470 THR A 785 OG1 CG2 +REMARK 470 GLU A 804 CG CD OE1 OE2 +REMARK 470 LYS A 867 CG CD CE NZ +REMARK 470 GLU A 872 CG CD OE1 OE2 +REMARK 470 LYS A 875 CG CD CE NZ +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: COVALENT BOND ANGLES +REMARK 500 +REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES +REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE +REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) +REMARK 500 +REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 +REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 +REMARK 500 +REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 +REMARK 500 ARG A 836 NE - CZ - NH1 ANGL. DEV. = 3.1 DEGREES +REMARK 500 ARG A 841 NE - CZ - NH2 ANGL. DEV. = 3.1 DEGREES +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 ILE A 715 -49.83 -131.65 +REMARK 500 GLU A 734 -130.11 25.41 +REMARK 500 ASP A 837 36.95 -147.23 +REMARK 500 ASP A 855 82.01 56.09 +REMARK 500 ASP A 855 77.93 60.80 +REMARK 500 GLU A 865 59.75 -119.99 +REMARK 500 GLU A 872 -149.60 -88.93 +REMARK 500 PRO A 877 99.96 -65.00 +REMARK 500 PRO A1019 152.65 -49.95 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 620 +REMARK 620 METAL COORDINATION +REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 NA A1102 NA +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 GLN A 976 OE1 +REMARK 620 2 HOH A1205 O 111.4 +REMARK 620 3 HOH A1226 O 94.1 83.0 +REMARK 620 4 HOH A1227 O 112.5 135.9 97.8 +REMARK 620 5 HOH A1266 O 99.8 81.4 162.1 87.4 +REMARK 620 N 1 2 3 4 +REMARK 800 +REMARK 800 SITE +REMARK 800 SITE_IDENTIFIER: AC1 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: binding site for residue IRE A 1101 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC2 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: binding site for residue NA A 1102 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC3 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: binding site for residue MES A 1103 +REMARK 900 +REMARK 900 RELATED ENTRIES +REMARK 900 RELATED ID: 2ITY RELATED DB: PDB +REMARK 900 2ITY CONTAINS SAME PROTEIN AND GEFITINIB (IRESSA) LIGAND BUT +REMARK 900 RESOLUTION IS 3.4 ANGSTROM +DBREF 4WKQ A 696 1022 UNP P00533 EGFR_HUMAN 696 1022 +SEQADV 4WKQ GLY A 693 UNP P00533 EXPRESSION TAG +SEQADV 4WKQ ALA A 694 UNP P00533 EXPRESSION TAG +SEQADV 4WKQ MET A 695 UNP P00533 EXPRESSION TAG +SEQRES 1 A 330 GLY ALA MET GLY GLU ALA PRO ASN GLN ALA LEU LEU ARG +SEQRES 2 A 330 ILE LEU LYS GLU THR GLU PHE LYS LYS ILE LYS VAL LEU +SEQRES 3 A 330 GLY SER GLY ALA PHE GLY THR VAL TYR LYS GLY LEU TRP +SEQRES 4 A 330 ILE PRO GLU GLY GLU LYS VAL LYS ILE PRO VAL ALA ILE +SEQRES 5 A 330 LYS GLU LEU ARG GLU ALA THR SER PRO LYS ALA ASN LYS +SEQRES 6 A 330 GLU ILE LEU ASP GLU ALA TYR VAL MET ALA SER VAL ASP +SEQRES 7 A 330 ASN PRO HIS VAL CYS ARG LEU LEU GLY ILE CYS LEU THR +SEQRES 8 A 330 SER THR VAL GLN LEU ILE THR GLN LEU MET PRO PHE GLY +SEQRES 9 A 330 CSX LEU LEU ASP TYR VAL ARG GLU HIS LYS ASP ASN ILE +SEQRES 10 A 330 GLY SER GLN TYR LEU LEU ASN TRP CYS VAL GLN ILE ALA +SEQRES 11 A 330 LYS GLY MET ASN TYR LEU GLU ASP ARG ARG LEU VAL HIS +SEQRES 12 A 330 ARG ASP LEU ALA ALA ARG ASN VAL LEU VAL LYS THR PRO +SEQRES 13 A 330 GLN HIS VAL LYS ILE THR ASP PHE GLY LEU ALA LYS LEU +SEQRES 14 A 330 LEU GLY ALA GLU GLU LYS GLU TYR HIS ALA GLU GLY GLY +SEQRES 15 A 330 LYS VAL PRO ILE LYS TRP MET ALA LEU GLU SER ILE LEU +SEQRES 16 A 330 HIS ARG ILE TYR THR HIS GLN SER ASP VAL TRP SER TYR +SEQRES 17 A 330 GLY VAL THR VAL TRP GLU LEU MET THR PHE GLY SER LYS +SEQRES 18 A 330 PRO TYR ASP GLY ILE PRO ALA SER GLU ILE SER SER ILE +SEQRES 19 A 330 LEU GLU LYS GLY GLU ARG LEU PRO GLN PRO PRO ILE CYS +SEQRES 20 A 330 THR ILE ASP VAL TYR MET ILE MET VAL LYS CYS TRP MET +SEQRES 21 A 330 ILE ASP ALA ASP SER ARG PRO LYS PHE ARG GLU LEU ILE +SEQRES 22 A 330 ILE GLU PHE SER LYS MET ALA ARG ASP PRO GLN ARG TYR +SEQRES 23 A 330 LEU VAL ILE GLN GLY ASP GLU ARG MET HIS LEU PRO SER +SEQRES 24 A 330 PRO THR ASP SER ASN PHE TYR ARG ALA LEU MET ASP GLU +SEQRES 25 A 330 GLU ASP MET ASP ASP VAL VAL ASP ALA ASP GLU TYR LEU +SEQRES 26 A 330 ILE PRO GLN GLN GLY +MODRES 4WKQ CSX A 797 CYS MODIFIED RESIDUE +HET CSX A 797 7 +HET IRE A1101 31 +HET NA A1102 1 +HET MES A1103 12 +HETNAM CSX S-OXY CYSTEINE +HETNAM IRE GEFITINIB +HETNAM NA SODIUM ION +HETNAM MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID +FORMUL 1 CSX C3 H7 N O3 S +FORMUL 2 IRE C22 H24 CL F N4 O3 +FORMUL 3 NA NA 1+ +FORMUL 4 MES C6 H13 N O4 S +FORMUL 5 HOH *121(H2 O) +HELIX 1 AA1 LYS A 708 THR A 710 5 3 +HELIX 2 AA2 PRO A 753 SER A 768 1 16 +HELIX 3 AA3 CSX A 797 HIS A 805 1 9 +HELIX 4 AA4 LYS A 806 ILE A 809 5 4 +HELIX 5 AA5 GLY A 810 ARG A 831 1 22 +HELIX 6 AA6 ALA A 839 ARG A 841 5 3 +HELIX 7 AA7 PRO A 877 MET A 881 5 5 +HELIX 8 AA8 ALA A 882 ARG A 889 1 8 +HELIX 9 AA9 THR A 892 THR A 909 1 18 +HELIX 10 AB1 PRO A 919 SER A 921 5 3 +HELIX 11 AB2 GLU A 922 LYS A 929 1 8 +HELIX 12 AB3 THR A 940 CYS A 950 1 11 +HELIX 13 AB4 ASP A 954 ARG A 958 5 5 +HELIX 14 AB5 LYS A 960 ARG A 973 1 14 +HELIX 15 AB6 ASP A 974 LEU A 979 1 6 +HELIX 16 AB7 ASP A 1012 TYR A 1016 5 5 +SHEET 1 AA1 5 PHE A 712 GLY A 719 0 +SHEET 2 AA1 5 VAL A 726 TRP A 731 -1 O VAL A 726 N LEU A 718 +SHEET 3 AA1 5 ILE A 740 LYS A 745 -1 O ILE A 740 N TRP A 731 +SHEET 4 AA1 5 VAL A 786 GLN A 791 -1 O LEU A 788 N LYS A 745 +SHEET 5 AA1 5 LEU A 777 LEU A 782 -1 N CYS A 781 O GLN A 787 +SHEET 1 AA2 2 LEU A 833 VAL A 834 0 +SHEET 2 AA2 2 LYS A 860 LEU A 861 -1 O LYS A 860 N VAL A 834 +SHEET 1 AA3 2 VAL A 843 THR A 847 0 +SHEET 2 AA3 2 HIS A 850 ILE A 853 -1 O LYS A 852 N LEU A 844 +SHEET 1 AA4 2 TYR A 869 HIS A 870 0 +SHEET 2 AA4 2 ILE A 890 TYR A 891 -1 O TYR A 891 N TYR A 869 +LINK C GLY A 796 N CSX A 797 1555 1555 1.33 +LINK C CSX A 797 N LEU A 798 1555 1555 1.32 +LINK OE1 GLN A 976 NA NA A1102 1555 1555 2.32 +LINK NA NA A1102 O HOH A1205 1555 1555 2.24 +LINK NA NA A1102 O HOH A1226 1555 4585 2.45 +LINK NA NA A1102 O HOH A1227 1555 1555 2.40 +LINK NA NA A1102 O HOH A1266 1555 1555 2.46 +SITE 1 AC1 16 LEU A 718 ALA A 743 LYS A 745 GLU A 762 +SITE 2 AC1 16 MET A 766 LEU A 788 THR A 790 GLN A 791 +SITE 3 AC1 16 MET A 793 PRO A 794 GLY A 796 CSX A 797 +SITE 4 AC1 16 ASP A 800 LEU A 844 THR A 854 HOH A1320 +SITE 1 AC2 4 GLN A 976 HOH A1205 HOH A1227 HOH A1266 +SITE 1 AC3 5 ARG A 841 PRO A 877 ILE A 878 LYS A 879 +SITE 2 AC3 5 ALA A 920 +CRYST1 143.714 143.714 143.714 90.00 90.00 90.00 I 2 3 24 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.006958 0.000000 0.000000 0.00000 +SCALE2 0.000000 0.006958 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.006958 0.00000 +ATOM 1 N ALA A 694 15.538 216.263 50.657 1.00 50.95 N +ATOM 2 CA ALA A 694 14.386 216.765 51.468 1.00 43.81 C +ATOM 3 C ALA A 694 13.036 216.837 50.734 1.00 37.00 C +ATOM 4 O ALA A 694 12.042 216.989 51.404 1.00 36.14 O +ATOM 5 CB ALA A 694 14.722 218.100 52.080 1.00 48.10 C +ATOM 6 N MET A 695 12.978 216.706 49.406 1.00 32.42 N +ATOM 7 CA AMET A 695 11.693 216.695 48.683 0.50 36.73 C +ATOM 8 CA BMET A 695 11.682 216.737 48.705 0.50 35.93 C +ATOM 9 C MET A 695 10.919 215.459 49.073 1.00 36.84 C +ATOM 10 O MET A 695 11.504 214.390 49.171 1.00 35.90 O +ATOM 11 CB AMET A 695 11.889 216.627 47.177 0.50 38.17 C +ATOM 12 CB BMET A 695 11.849 216.870 47.180 0.50 36.17 C +ATOM 13 CG AMET A 695 12.440 217.886 46.569 0.50 39.56 C +ATOM 14 CG BMET A 695 10.594 217.315 46.419 0.50 36.90 C +ATOM 15 SD AMET A 695 12.243 217.905 44.784 0.50 45.90 S +ATOM 16 SD BMET A 695 10.744 217.033 44.624 0.50 40.27 S +ATOM 17 CE AMET A 695 10.450 217.994 44.658 0.50 45.78 C +ATOM 18 CE BMET A 695 11.129 218.658 43.971 0.50 42.14 C +ATOM 19 N GLY A 696 9.622 215.598 49.307 1.00 33.11 N +ATOM 20 CA GLY A 696 8.770 214.429 49.624 1.00 33.61 C +ATOM 21 C GLY A 696 8.095 213.879 48.365 1.00 33.73 C +ATOM 22 O GLY A 696 8.479 214.269 47.219 1.00 32.91 O +ATOM 23 N GLU A 697 7.002 213.124 48.562 1.00 47.33 N +ANISOU 23 N GLU A 697 5517 8762 3702 -622 629 -1453 N +ATOM 24 CA GLU A 697 6.294 212.516 47.438 1.00 44.89 C +ANISOU 24 CA GLU A 697 5260 8189 3608 -524 633 -1273 C +ATOM 25 C GLU A 697 4.857 212.985 47.385 1.00 39.35 C +ANISOU 25 C GLU A 697 4566 7374 3011 -493 751 -1373 C +ATOM 26 O GLU A 697 4.221 213.099 48.397 1.00 40.36 O +ANISOU 26 O GLU A 697 4655 7684 2994 -523 829 -1457 O +ATOM 27 CB GLU A 697 6.307 210.995 47.635 1.00 46.21 C +ANISOU 27 CB GLU A 697 5419 8467 3669 -483 586 -977 C +ATOM 28 CG GLU A 697 7.689 210.419 47.917 1.00 47.09 C +ANISOU 28 CG GLU A 697 5501 8750 3638 -492 479 -846 C +ATOM 29 CD GLU A 697 8.493 210.372 46.669 1.00 47.13 C +ANISOU 29 CD GLU A 697 5546 8530 3829 -449 405 -782 C +ATOM 30 OE1 GLU A 697 7.909 210.496 45.575 1.00 44.48 O +ANISOU 30 OE1 GLU A 697 5268 7915 3715 -404 430 -781 O +ATOM 31 OE2 GLU A 697 9.722 210.197 46.794 1.00 54.59 O +ANISOU 31 OE2 GLU A 697 6454 9600 4685 -458 320 -727 O +ATOM 32 N ALA A 698 4.331 213.173 46.194 1.00 35.81 N +ANISOU 32 N ALA A 698 4156 6647 2803 -425 764 -1343 N +ATOM 33 CA ALA A 698 2.936 213.627 46.020 1.00 37.07 C +ANISOU 33 CA ALA A 698 4304 6700 3081 -375 873 -1416 C +ATOM 34 C ALA A 698 2.010 212.403 45.710 1.00 34.92 C +ANISOU 34 C ALA A 698 4019 6421 2828 -334 873 -1185 C +ATOM 35 O ALA A 698 2.464 211.406 45.114 1.00 31.85 O +ANISOU 35 O ALA A 698 3660 5978 2462 -323 789 -985 O +ATOM 36 CB ALA A 698 2.883 214.570 44.828 1.00 37.71 C +ANISOU 36 CB ALA A 698 4420 6493 3414 -319 885 -1498 C +ATOM 37 N PRO A 699 0.721 212.527 45.987 1.00 35.14 N +ANISOU 37 N PRO A 699 4002 6476 2871 -310 972 -1223 N +ATOM 38 CA PRO A 699 -0.204 211.404 45.712 1.00 35.07 C +ANISOU 38 CA PRO A 699 3972 6470 2882 -297 981 -1022 C +ATOM 39 C PRO A 699 -0.332 211.101 44.254 1.00 35.33 C +ANISOU 39 C PRO A 699 4034 6270 3120 -251 923 -909 C +ATOM 40 O PRO A 699 -0.152 211.988 43.419 1.00 34.54 O +ANISOU 40 O PRO A 699 3950 5998 3175 -203 909 -1000 O +ATOM 41 CB PRO A 699 -1.529 211.848 46.289 1.00 36.90 C +ANISOU 41 CB PRO A 699 4131 6788 3099 -281 1107 -1125 C +ATOM 42 CG PRO A 699 -1.335 213.217 46.784 1.00 38.80 C +ANISOU 42 CG PRO A 699 4368 7040 3334 -271 1174 -1383 C +ATOM 43 CD PRO A 699 0.086 213.642 46.678 1.00 36.86 C +ANISOU 43 CD PRO A 699 4182 6748 3072 -305 1091 -1455 C +ATOM 44 N ASN A 700 -0.556 209.824 43.928 1.00 34.25 N +ANISOU 44 N ASN A 700 3909 6125 2979 -273 890 -706 N +ATOM 45 CA ASN A 700 -0.839 209.419 42.585 1.00 32.23 C +ANISOU 45 CA ASN A 700 3671 5680 2893 -249 845 -607 C +ATOM 46 C ASN A 700 -2.345 209.180 42.503 1.00 34.61 C +ANISOU 46 C ASN A 700 3898 6014 3238 -255 920 -581 C +ATOM 47 O ASN A 700 -2.876 208.189 43.041 1.00 34.29 O +ANISOU 47 O ASN A 700 3839 6080 3109 -315 956 -467 O +ATOM 48 CB ASN A 700 -0.087 208.144 42.226 1.00 33.44 C +ANISOU 48 CB ASN A 700 3892 5786 3026 -280 773 -420 C +ATOM 49 CG ASN A 700 -0.304 207.740 40.773 1.00 32.11 C +ANISOU 49 CG ASN A 700 3749 5423 3025 -268 728 -346 C +ATOM 50 OD1 ASN A 700 -1.218 208.254 40.106 1.00 32.93 O +ANISOU 50 OD1 ASN A 700 3803 5469 3240 -245 751 -402 O +ATOM 51 ND2 ASN A 700 0.514 206.818 40.272 1.00 31.30 N +ANISOU 51 ND2 ASN A 700 3719 5236 2937 -279 669 -219 N +ATOM 52 N GLN A 701 -3.071 210.098 41.888 1.00 33.67 N +ANISOU 52 N GLN A 701 3725 5817 3250 -193 951 -677 N +ATOM 53 CA GLN A 701 -4.521 210.001 41.934 1.00 35.06 C +ANISOU 53 CA GLN A 701 3801 6068 3453 -192 1028 -666 C +ATOM 54 C GLN A 701 -5.083 209.420 40.637 1.00 33.70 C +ANISOU 54 C GLN A 701 3603 5792 3407 -202 979 -554 C +ATOM 55 O GLN A 701 -6.280 209.550 40.393 1.00 35.51 O +ANISOU 55 O GLN A 701 3728 6073 3691 -186 1027 -556 O +ATOM 56 CB GLN A 701 -5.176 211.350 42.251 1.00 36.00 C +ANISOU 56 CB GLN A 701 3846 6211 3621 -105 1120 -837 C +ATOM 57 CG GLN A 701 -4.969 211.837 43.673 1.00 38.91 C +ANISOU 57 CG GLN A 701 4215 6730 3838 -120 1200 -973 C +ATOM 58 CD GLN A 701 -5.495 213.250 43.867 1.00 39.12 C +ANISOU 58 CD GLN A 701 4190 6727 3944 -25 1303 -1165 C +ATOM 59 OE1 GLN A 701 -4.948 214.212 43.337 1.00 42.74 O +ANISOU 59 OE1 GLN A 701 4693 7023 4522 36 1290 -1261 O +ATOM 60 NE2 GLN A 701 -6.535 213.358 44.540 1.00 40.32 N +ANISOU 60 NE2 GLN A 701 4253 7017 4048 -10 1410 -1211 N +ATOM 61 N ALA A 702 -4.269 208.704 39.888 1.00 34.48 N +ANISOU 61 N ALA A 702 3787 5777 3536 -236 890 -458 N +ATOM 62 CA ALA A 702 -4.743 208.003 38.677 1.00 33.35 C +ANISOU 62 CA ALA A 702 3629 5552 3488 -273 844 -363 C +ATOM 63 C ALA A 702 -5.914 207.122 39.020 1.00 35.60 C +ANISOU 63 C ALA A 702 3839 5954 3731 -363 905 -294 C +ATOM 64 O ALA A 702 -6.024 206.629 40.146 1.00 32.98 O +ANISOU 64 O ALA A 702 3512 5735 3284 -415 965 -262 O +ATOM 65 CB ALA A 702 -3.634 207.195 38.042 1.00 33.28 C +ANISOU 65 CB ALA A 702 3735 5416 3493 -309 762 -277 C +ATOM 66 N LEU A 703 -6.843 206.990 38.069 1.00 35.34 N +ANISOU 66 N LEU A 703 3724 5918 3785 -384 893 -272 N +ATOM 67 CA LEU A 703 -8.025 206.159 38.253 1.00 37.30 C +ANISOU 67 CA LEU A 703 3883 6281 4006 -490 949 -214 C +ATOM 68 C LEU A 703 -7.805 204.869 37.498 1.00 36.03 C +ANISOU 68 C LEU A 703 3796 6022 3872 -613 904 -118 C +ATOM 69 O LEU A 703 -7.456 204.884 36.335 1.00 38.47 O +ANISOU 69 O LEU A 703 4135 6222 4257 -603 828 -121 O +ATOM 70 CB LEU A 703 -9.289 206.839 37.733 1.00 39.59 C +ANISOU 70 CB LEU A 703 4006 6669 4364 -445 970 -258 C +ATOM 71 CG LEU A 703 -9.793 208.095 38.420 1.00 43.00 C +ANISOU 71 CG LEU A 703 4344 7197 4796 -317 1045 -356 C +ATOM 72 CD1 LEU A 703 -11.132 208.481 37.765 1.00 45.37 C +ANISOU 72 CD1 LEU A 703 4461 7605 5170 -279 1064 -354 C +ATOM 73 CD2 LEU A 703 -9.992 207.919 39.938 1.00 42.93 C +ANISOU 73 CD2 LEU A 703 4329 7323 4659 -352 1147 -379 C +ATOM 74 N LEU A 704 -7.977 203.744 38.170 1.00 38.00 N +ANISOU 74 N LEU A 704 4080 6301 4057 -731 961 -32 N +ATOM 75 CA LEU A 704 -7.821 202.435 37.548 1.00 37.39 C +ANISOU 75 CA LEU A 704 4084 6105 4017 -859 948 52 C +ATOM 76 C LEU A 704 -9.184 201.958 37.129 1.00 37.98 C +ANISOU 76 C LEU A 704 4036 6270 4122 -989 985 53 C +ATOM 77 O LEU A 704 -10.050 201.751 37.968 1.00 35.69 O +ANISOU 77 O LEU A 704 3662 6119 3778 -1050 1070 77 O +ATOM 78 CB LEU A 704 -7.251 201.457 38.537 1.00 40.30 C +ANISOU 78 CB LEU A 704 4562 6440 4311 -913 1005 164 C +ATOM 79 CG LEU A 704 -6.973 200.043 38.018 1.00 41.34 C +ANISOU 79 CG LEU A 704 4804 6407 4496 -1034 1019 260 C +ATOM 80 CD1 LEU A 704 -6.034 200.066 36.849 1.00 39.73 C +ANISOU 80 CD1 LEU A 704 4690 6031 4372 -987 930 228 C +ATOM 81 CD2 LEU A 704 -6.401 199.246 39.179 1.00 44.34 C +ANISOU 81 CD2 LEU A 704 5279 6771 4794 -1046 1088 399 C +ATOM 82 N ARG A 705 -9.405 201.813 35.831 1.00 36.80 N +ANISOU 82 N ARG A 705 3861 6069 4049 -1036 922 21 N +ATOM 83 CA ARG A 705 -10.761 201.476 35.381 1.00 40.30 C +ANISOU 83 CA ARG A 705 4155 6643 4510 -1165 946 5 C +ATOM 84 C ARG A 705 -10.882 199.963 35.197 1.00 38.73 C +ANISOU 84 C ARG A 705 4035 6350 4328 -1374 991 59 C +ATOM 85 O ARG A 705 -9.994 199.341 34.626 1.00 38.26 O +ANISOU 85 O ARG A 705 4123 6104 4309 -1402 960 73 O +ATOM 86 CB ARG A 705 -11.074 202.196 34.066 1.00 43.09 C +ANISOU 86 CB ARG A 705 4409 7042 4920 -1112 853 -59 C +ATOM 87 CG ARG A 705 -12.580 202.181 33.786 1.00 47.84 C +ANISOU 87 CG ARG A 705 4800 7858 5518 -1204 874 -77 C +ATOM 88 CD ARG A 705 -12.876 202.773 32.412 1.00 50.89 C +ANISOU 88 CD ARG A 705 5080 8311 5942 -1158 774 -116 C +ATOM 89 NE ARG A 705 -14.309 202.695 32.092 1.00 52.55 N +ANISOU 89 NE ARG A 705 5068 8758 6138 -1253 784 -125 N +ATOM 90 CZ ARG A 705 -14.908 203.408 31.139 1.00 57.29 C +ANISOU 90 CZ ARG A 705 5504 9513 6751 -1184 712 -137 C +ATOM 91 NH1 ARG A 705 -14.217 204.287 30.419 1.00 60.86 N +ANISOU 91 NH1 ARG A 705 5996 9890 7236 -1015 633 -136 N +ATOM 92 NH2 ARG A 705 -16.205 203.254 30.893 1.00 61.57 N +ANISOU 92 NH2 ARG A 705 5826 10296 7268 -1281 720 -137 N +ATOM 93 N ILE A 706 -11.941 199.406 35.732 1.00 40.04 N +ANISOU 93 N ILE A 706 4107 6637 4470 -1513 1077 88 N +ATOM 94 CA ILE A 706 -12.188 197.983 35.698 1.00 42.91 C +ANISOU 94 CA ILE A 706 4538 6906 4857 -1730 1149 139 C +ATOM 95 C ILE A 706 -13.216 197.754 34.597 1.00 43.76 C +ANISOU 95 C ILE A 706 4508 7115 5004 -1886 1117 58 C +ATOM 96 O ILE A 706 -14.341 198.206 34.737 1.00 43.74 O +ANISOU 96 O ILE A 706 4308 7338 4972 -1909 1131 33 O +ATOM 97 CB ILE A 706 -12.814 197.457 36.998 1.00 45.50 C +ANISOU 97 CB ILE A 706 4834 7324 5130 -1818 1276 228 C +ATOM 98 CG1 ILE A 706 -11.969 197.776 38.238 1.00 46.00 C +ANISOU 98 CG1 ILE A 706 4991 7368 5115 -1667 1310 309 C +ATOM 99 CG2 ILE A 706 -13.080 195.956 36.886 1.00 48.05 C +ANISOU 99 CG2 ILE A 706 5238 7516 5503 -2057 1365 286 C +ATOM 100 CD1 ILE A 706 -10.518 197.460 38.112 1.00 45.87 C +ANISOU 100 CD1 ILE A 706 5176 7132 5121 -1584 1269 359 C +ATOM 101 N LEU A 707 -12.834 197.056 33.535 1.00 41.90 N +ANISOU 101 N LEU A 707 4366 6730 4823 -1992 1079 15 N +ATOM 102 CA LEU A 707 -13.752 196.767 32.440 1.00 45.55 C +ANISOU 102 CA LEU A 707 4699 7306 5302 -2166 1043 -75 C +ATOM 103 C LEU A 707 -14.389 195.408 32.599 1.00 48.59 C +ANISOU 103 C LEU A 707 5105 7640 5714 -2445 1153 -68 C +ATOM 104 O LEU A 707 -13.726 194.473 32.995 1.00 49.61 O +ANISOU 104 O LEU A 707 5426 7535 5887 -2505 1234 -8 O +ATOM 105 CB LEU A 707 -12.985 196.822 31.129 1.00 45.86 C +ANISOU 105 CB LEU A 707 4822 7229 5370 -2135 943 -149 C +ATOM 106 CG LEU A 707 -12.234 198.131 30.947 1.00 47.53 C +ANISOU 106 CG LEU A 707 5035 7454 5568 -1868 845 -145 C +ATOM 107 CD1 LEU A 707 -11.630 198.139 29.571 1.00 48.87 C +ANISOU 107 CD1 LEU A 707 5263 7547 5756 -1864 752 -215 C +ATOM 108 CD2 LEU A 707 -13.137 199.347 31.156 1.00 48.81 C +ANISOU 108 CD2 LEU A 707 4976 7875 5693 -1745 811 -146 C +ATOM 109 N LYS A 708 -15.675 195.312 32.301 1.00 51.25 N +ANISOU 109 N LYS A 708 5241 8199 6031 -2611 1160 -123 N +ATOM 110 CA LYS A 708 -16.390 194.037 32.264 1.00 56.68 C +ANISOU 110 CA LYS A 708 5927 8855 6752 -2919 1262 -146 C +ATOM 111 C LYS A 708 -16.042 193.268 31.009 1.00 57.75 C +ANISOU 111 C LYS A 708 6167 8837 6936 -3082 1230 -260 C +ATOM 112 O LYS A 708 -15.934 193.863 29.936 1.00 53.61 O +ANISOU 112 O LYS A 708 5576 8409 6383 -3018 1105 -348 O +ATOM 113 CB LYS A 708 -17.885 194.284 32.274 1.00 61.82 C +ANISOU 113 CB LYS A 708 6297 9835 7355 -3046 1267 -181 C +ATOM 114 CG LYS A 708 -18.344 195.061 33.482 1.00 65.82 C +ANISOU 114 CG LYS A 708 6680 10517 7809 -2890 1312 -87 C +ATOM 115 CD LYS A 708 -19.804 195.460 33.399 1.00 71.23 C +ANISOU 115 CD LYS A 708 7060 11556 8447 -2972 1308 -122 C +ATOM 116 CE LYS A 708 -20.079 196.528 34.455 1.00 74.36 C +ANISOU 116 CE LYS A 708 7341 12118 8793 -2740 1337 -51 C +ATOM 117 NZ LYS A 708 -21.526 196.594 34.819 1.00 79.18 N +ANISOU 117 NZ LYS A 708 7677 13043 9363 -2851 1398 -48 N +ATOM 118 N GLU A 709 -15.878 191.952 31.118 1.00 63.63 N +ANISOU 118 N GLU A 709 7074 9345 7754 -3292 1350 -259 N +ATOM 119 CA GLU A 709 -15.532 191.144 29.934 1.00 69.42 C +ANISOU 119 CA GLU A 709 7925 9908 8541 -3463 1343 -392 C +ATOM 120 C GLU A 709 -16.617 191.215 28.842 1.00 66.61 C +ANISOU 120 C GLU A 709 7350 9829 8130 -3669 1267 -553 C +ATOM 121 O GLU A 709 -16.307 191.174 27.659 1.00 67.41 O +ANISOU 121 O GLU A 709 7477 9917 8217 -3711 1188 -680 O +ATOM 122 CB GLU A 709 -15.193 189.674 30.268 1.00 76.31 C +ANISOU 122 CB GLU A 709 9023 10445 9526 -3656 1512 -365 C +ATOM 123 CG GLU A 709 -14.669 188.926 29.019 1.00 83.38 C +ANISOU 123 CG GLU A 709 10063 11134 10481 -3794 1512 -524 C +ATOM 124 CD GLU A 709 -13.537 187.930 29.272 1.00 85.54 C +ANISOU 124 CD GLU A 709 10636 10985 10877 -3769 1640 -459 C +ATOM 125 OE1 GLU A 709 -12.407 188.167 28.757 1.00 86.63 O +ANISOU 125 OE1 GLU A 709 10907 10980 11028 -3584 1580 -474 O +ATOM 126 OE2 GLU A 709 -13.783 186.910 29.963 1.00 85.08 O +ANISOU 126 OE2 GLU A 709 10676 10742 10907 -3931 1807 -385 O +ATOM 127 N THR A 710 -17.864 191.393 29.244 1.00 65.20 N +ANISOU 127 N THR A 710 6940 9927 7904 -3781 1284 -541 N +ATOM 128 CA THR A 710 -18.950 191.560 28.288 1.00 66.31 C +ANISOU 128 CA THR A 710 6829 10391 7972 -3958 1201 -672 C +ATOM 129 C THR A 710 -18.818 192.795 27.367 1.00 64.25 C +ANISOU 129 C THR A 710 6429 10356 7625 -3738 1018 -705 C +ATOM 130 O THR A 710 -19.439 192.817 26.316 1.00 62.15 O +ANISOU 130 O THR A 710 6000 10322 7292 -3880 934 -822 O +ATOM 131 CB THR A 710 -20.315 191.610 29.002 1.00 68.34 C +ANISOU 131 CB THR A 710 6838 10932 8194 -4087 1257 -629 C +ATOM 132 OG1 THR A 710 -20.284 192.614 30.026 1.00 68.16 O +ANISOU 132 OG1 THR A 710 6750 11003 8144 -3800 1251 -483 O +ATOM 133 CG2 THR A 710 -20.657 190.253 29.600 1.00 72.19 C +ANISOU 133 CG2 THR A 710 7430 11236 8762 -4392 1437 -627 C +ATOM 134 N GLU A 711 -18.014 193.802 27.746 1.00 60.48 N +ANISOU 134 N GLU A 711 6015 9817 7146 -3403 962 -601 N +ATOM 135 CA GLU A 711 -17.934 195.051 26.998 1.00 60.36 C +ANISOU 135 CA GLU A 711 5865 10004 7064 -3178 810 -602 C +ATOM 136 C GLU A 711 -17.009 194.962 25.792 1.00 61.39 C +ANISOU 136 C GLU A 711 6133 10005 7187 -3159 726 -689 C +ATOM 137 O GLU A 711 -17.004 195.871 24.965 1.00 59.89 O +ANISOU 137 O GLU A 711 5825 9997 6932 -3017 600 -695 O +ATOM 138 CB GLU A 711 -17.351 196.175 27.852 1.00 61.32 C +ANISOU 138 CB GLU A 711 6021 10077 7199 -2840 796 -473 C +ATOM 139 CG GLU A 711 -18.151 196.740 29.015 1.00 62.68 C +ANISOU 139 CG GLU A 711 6035 10422 7358 -2750 855 -382 C +ATOM 140 CD GLU A 711 -17.314 197.812 29.726 1.00 61.95 C +ANISOU 140 CD GLU A 711 6028 10227 7280 -2425 841 -294 C +ATOM 141 OE1 GLU A 711 -16.843 197.624 30.874 1.00 61.91 O +ANISOU 141 OE1 GLU A 711 6159 10065 7298 -2370 932 -225 O +ATOM 142 OE2 GLU A 711 -17.051 198.846 29.105 1.00 60.84 O +ANISOU 142 OE2 GLU A 711 5831 10158 7126 -2226 738 -293 O +ATOM 143 N PHE A 712 -16.165 193.940 25.694 1.00 61.90 N +ANISOU 143 N PHE A 712 6450 9751 7318 -3272 802 -741 N +ATOM 144 CA PHE A 712 -15.209 193.913 24.589 1.00 62.71 C +ANISOU 144 CA PHE A 712 6687 9728 7410 -3227 732 -823 C +ATOM 145 C PHE A 712 -15.160 192.533 23.950 1.00 69.07 C +ANISOU 145 C PHE A 712 7624 10369 8249 -3533 811 -977 C +ATOM 146 O PHE A 712 -15.385 191.525 24.626 1.00 72.76 O +ANISOU 146 O PHE A 712 8185 10665 8796 -3717 951 -978 O +ATOM 147 CB PHE A 712 -13.804 194.461 24.994 1.00 63.10 C +ANISOU 147 CB PHE A 712 6935 9529 7509 -2930 721 -720 C +ATOM 148 CG PHE A 712 -13.173 193.726 26.118 1.00 61.18 C +ANISOU 148 CG PHE A 712 6900 8982 7360 -2921 855 -638 C +ATOM 149 CD1 PHE A 712 -13.491 194.044 27.411 1.00 61.44 C +ANISOU 149 CD1 PHE A 712 6886 9054 7404 -2831 910 -513 C +ATOM 150 CD2 PHE A 712 -12.278 192.694 25.875 1.00 65.39 C +ANISOU 150 CD2 PHE A 712 7673 9203 7968 -3002 935 -682 C +ATOM 151 CE1 PHE A 712 -12.931 193.341 28.451 1.00 63.95 C +ANISOU 151 CE1 PHE A 712 7385 9123 7790 -2825 1032 -418 C +ATOM 152 CE2 PHE A 712 -11.703 191.974 26.911 1.00 63.87 C +ANISOU 152 CE2 PHE A 712 7665 8736 7864 -2982 1064 -579 C +ATOM 153 CZ PHE A 712 -12.029 192.298 28.202 1.00 65.25 C +ANISOU 153 CZ PHE A 712 7784 8972 8033 -2896 1108 -439 C +ATOM 154 N LYS A 713 -14.974 192.521 22.625 1.00 67.47 N +ANISOU 154 N LYS A 713 7407 10247 7979 -3600 726 -1111 N +ATOM 155 CA LYS A 713 -14.951 191.306 21.821 1.00 71.66 C +ANISOU 155 CA LYS A 713 8049 10654 8524 -3898 793 -1301 C +ATOM 156 C LYS A 713 -13.527 191.112 21.312 1.00 71.80 C +ANISOU 156 C LYS A 713 8319 10375 8586 -3769 804 -1334 C +ATOM 157 O LYS A 713 -12.939 192.036 20.725 1.00 71.12 O +ANISOU 157 O LYS A 713 8207 10382 8434 -3549 684 -1300 O +ATOM 158 CB LYS A 713 -15.937 191.420 20.648 1.00 71.13 C +ANISOU 158 CB LYS A 713 7740 10970 8313 -4103 686 -1452 C +ATOM 159 N LYS A 714 -12.943 189.941 21.564 1.00 71.85 N +ANISOU 159 N LYS A 714 8569 10017 8713 -3887 957 -1383 N +ATOM 160 CA LYS A 714 -11.689 189.573 20.900 1.00 71.03 C +ANISOU 160 CA LYS A 714 8691 9647 8650 -3813 985 -1453 C +ATOM 161 C LYS A 714 -11.971 189.344 19.424 1.00 72.12 C +ANISOU 161 C LYS A 714 8763 9958 8678 -4017 924 -1681 C +ATOM 162 O LYS A 714 -13.115 189.132 19.048 1.00 73.87 O +ANISOU 162 O LYS A 714 8806 10435 8822 -4271 900 -1796 O +ATOM 163 CB LYS A 714 -11.078 188.333 21.522 1.00 73.37 C +ANISOU 163 CB LYS A 714 9252 9512 9111 -3888 1179 -1443 C +ATOM 164 CG LYS A 714 -10.049 188.642 22.577 1.00 75.18 C +ANISOU 164 CG LYS A 714 9622 9517 9426 -3584 1212 -1224 C +ATOM 165 CD LYS A 714 -9.565 187.388 23.291 1.00 79.22 C +ANISOU 165 CD LYS A 714 10371 9626 10101 -3650 1413 -1173 C +ATOM 166 CE LYS A 714 -10.133 187.233 24.696 1.00 80.24 C +ANISOU 166 CE LYS A 714 10468 9738 10281 -3661 1494 -996 C +ATOM 167 NZ LYS A 714 -9.014 187.009 25.660 1.00 78.55 N +ANISOU 167 NZ LYS A 714 10446 9234 10164 -3429 1579 -797 N +ATOM 168 N ILE A 715 -10.944 189.423 18.593 1.00 69.59 N +ANISOU 168 N ILE A 715 8571 9532 8336 -3906 895 -1745 N +ATOM 169 CA ILE A 715 -11.103 189.179 17.156 1.00 75.30 C +ANISOU 169 CA ILE A 715 9248 10423 8938 -4095 844 -1971 C +ATOM 170 C ILE A 715 -10.057 188.229 16.625 1.00 75.01 C +ANISOU 170 C ILE A 715 9480 10037 8980 -4145 969 -2113 C +ATOM 171 O ILE A 715 -10.387 187.298 15.915 1.00 78.14 O +ANISOU 171 O ILE A 715 9922 10403 9363 -4439 1046 -2345 O +ATOM 172 CB ILE A 715 -11.010 190.455 16.278 1.00 75.07 C +ANISOU 172 CB ILE A 715 9044 10739 8738 -3909 649 -1931 C +ATOM 173 CG1 ILE A 715 -11.839 191.614 16.855 1.00 73.28 C +ANISOU 173 CG1 ILE A 715 8566 10823 8454 -3761 528 -1747 C +ATOM 174 CG2 ILE A 715 -11.444 190.128 14.844 1.00 78.24 C +ANISOU 174 CG2 ILE A 715 9355 11392 8980 -4159 595 -2169 C +ATOM 175 CD1 ILE A 715 -13.327 191.352 17.020 1.00 75.40 C +ANISOU 175 CD1 ILE A 715 8613 11363 8670 -4017 521 -1803 C +ATOM 176 N LYS A 716 -8.801 188.502 16.938 1.00 72.66 N +ANISOU 176 N LYS A 716 9348 9496 8762 -3859 989 -1984 N +ATOM 177 CA LYS A 716 -7.713 187.708 16.437 1.00 74.89 C +ANISOU 177 CA LYS A 716 9873 9457 9122 -3853 1106 -2096 C +ATOM 178 C LYS A 716 -6.539 187.841 17.390 1.00 73.41 C +ANISOU 178 C LYS A 716 9853 8963 9073 -3547 1165 -1881 C +ATOM 179 O LYS A 716 -6.441 188.806 18.148 1.00 71.78 O +ANISOU 179 O LYS A 716 9558 8861 8854 -3319 1072 -1674 O +ATOM 180 CB LYS A 716 -7.330 188.184 15.031 1.00 75.34 C +ANISOU 180 CB LYS A 716 9880 9724 9019 -3830 997 -2232 C +ATOM 181 N VAL A 717 -5.643 186.869 17.349 1.00 73.82 N +ANISOU 181 N VAL A 717 10145 8646 9255 -3543 1324 -1936 N +ATOM 182 CA VAL A 717 -4.412 186.919 18.126 1.00 72.69 C +ANISOU 182 CA VAL A 717 10157 8227 9232 -3250 1381 -1741 C +ATOM 183 C VAL A 717 -3.396 187.749 17.369 1.00 71.09 C +ANISOU 183 C VAL A 717 9948 8117 8944 -3023 1273 -1732 C +ATOM 184 O VAL A 717 -3.437 187.800 16.150 1.00 74.15 O +ANISOU 184 O VAL A 717 10301 8649 9222 -3125 1227 -1917 O +ATOM 185 CB VAL A 717 -3.859 185.496 18.360 1.00 75.05 C +ANISOU 185 CB VAL A 717 10711 8084 9718 -3323 1612 -1789 C +ATOM 186 CG1 VAL A 717 -2.548 185.530 19.135 1.00 72.50 C +ANISOU 186 CG1 VAL A 717 10530 7506 9508 -3004 1666 -1571 C +ATOM 187 CG2 VAL A 717 -4.895 184.646 19.075 1.00 76.29 C +ANISOU 187 CG2 VAL A 717 10878 8138 9967 -3571 1734 -1795 C +ATOM 188 N LEU A 718 -2.508 188.416 18.101 1.00 71.26 N +ANISOU 188 N LEU A 718 9993 8077 9003 -2727 1231 -1518 N +ATOM 189 CA LEU A 718 -1.405 189.185 17.534 1.00 72.73 C +ANISOU 189 CA LEU A 718 10186 8313 9133 -2496 1147 -1481 C +ATOM 190 C LEU A 718 -0.012 188.616 17.921 1.00 80.88 C +ANISOU 190 C LEU A 718 11420 9007 10302 -2303 1271 -1394 C +ATOM 191 O LEU A 718 1.004 189.036 17.358 1.00 90.15 O +ANISOU 191 O LEU A 718 12622 10184 11444 -2135 1233 -1389 O +ATOM 192 CB LEU A 718 -1.500 190.661 17.981 1.00 67.87 C +ANISOU 192 CB LEU A 718 9396 7960 8430 -2303 974 -1308 C +ATOM 193 CG LEU A 718 -2.668 191.536 17.500 1.00 66.08 C +ANISOU 193 CG LEU A 718 8943 8105 8057 -2401 827 -1350 C +ATOM 194 CD1 LEU A 718 -2.857 192.756 18.393 1.00 62.38 C +ANISOU 194 CD1 LEU A 718 8339 7791 7569 -2212 718 -1155 C +ATOM 195 CD2 LEU A 718 -2.427 191.985 16.068 1.00 66.51 C +ANISOU 195 CD2 LEU A 718 8944 8347 7979 -2409 739 -1471 C +ATOM 196 N GLY A 719 0.051 187.708 18.901 1.00 85.90 N +ANISOU 196 N GLY A 719 12181 9369 11085 -2312 1416 -1303 N +ATOM 197 CA GLY A 719 1.306 187.009 19.242 1.00 89.35 C +ANISOU 197 CA GLY A 719 12806 9479 11662 -2136 1554 -1213 C +ATOM 198 C GLY A 719 1.228 186.322 20.600 1.00 90.29 C +ANISOU 198 C GLY A 719 13009 9377 11918 -2106 1674 -1028 C +ATOM 199 O GLY A 719 0.987 186.993 21.591 1.00 84.89 O +ANISOU 199 O GLY A 719 12224 8832 11198 -2011 1589 -851 O +ATOM 200 N SER A 720 1.417 184.992 20.644 1.00 94.17 N +ANISOU 200 N SER A 720 13686 9527 12565 -2186 1879 -1068 N +ATOM 201 CA SER A 720 1.297 184.187 21.886 1.00 90.03 C +ANISOU 201 CA SER A 720 13258 8766 12182 -2174 2022 -880 C +ATOM 202 C SER A 720 2.660 183.819 22.472 1.00 87.73 C +ANISOU 202 C SER A 720 13097 8231 12004 -1887 2115 -676 C +ATOM 203 O SER A 720 3.564 184.655 22.527 1.00 84.46 O +ANISOU 203 O SER A 720 12619 7950 11521 -1648 1999 -576 O +ATOM 204 CB SER A 720 0.496 182.910 21.630 1.00 90.03 C +ANISOU 204 CB SER A 720 13380 8528 12300 -2470 2209 -1038 C +ATOM 205 N GLY A 724 2.637 185.406 28.263 1.00 95.02 N +ANISOU 205 N GLY A 724 13736 9587 12778 -1341 1934 393 N +ATOM 206 CA GLY A 724 2.270 186.564 27.461 1.00 94.06 C +ANISOU 206 CA GLY A 724 13469 9739 12528 -1395 1756 203 C +ATOM 207 C GLY A 724 1.615 186.206 26.130 1.00 94.04 C +ANISOU 207 C GLY A 724 13493 9683 12553 -1627 1784 -65 C +ATOM 208 O GLY A 724 2.282 185.680 25.235 1.00 99.03 O +ANISOU 208 O GLY A 724 14237 10131 13255 -1608 1854 -171 O +ATOM 209 N THR A 725 0.304 186.470 26.018 1.00 89.24 N +ANISOU 209 N THR A 725 12775 9251 11881 -1846 1735 -176 N +ATOM 210 CA THR A 725 -0.418 186.552 24.719 1.00 82.04 C +ANISOU 210 CA THR A 725 11809 8436 10923 -2061 1691 -441 C +ATOM 211 C THR A 725 -1.159 187.933 24.542 1.00 74.21 C +ANISOU 211 C THR A 725 10596 7832 9769 -2073 1491 -491 C +ATOM 212 O THR A 725 -1.670 188.503 25.515 1.00 65.98 O +ANISOU 212 O THR A 725 9445 6950 8675 -2036 1437 -366 O +ATOM 213 CB THR A 725 -1.364 185.342 24.496 1.00 84.55 C +ANISOU 213 CB THR A 725 12209 8578 11337 -2360 1850 -565 C +ATOM 214 OG1 THR A 725 -2.186 185.560 23.342 1.00 84.67 O +ANISOU 214 OG1 THR A 725 12128 8774 11268 -2582 1778 -817 O +ATOM 215 CG2 THR A 725 -2.250 185.099 25.684 1.00 89.91 C +ANISOU 215 CG2 THR A 725 12844 9281 12036 -2454 1905 -421 C +ATOM 216 N VAL A 726 -1.170 188.466 23.312 1.00 65.32 N +ANISOU 216 N VAL A 726 9404 6851 8563 -2110 1391 -665 N +ATOM 217 CA VAL A 726 -1.781 189.772 22.992 1.00 58.80 C +ANISOU 217 CA VAL A 726 8375 6371 7595 -2097 1211 -702 C +ATOM 218 C VAL A 726 -2.790 189.600 21.872 1.00 58.36 C +ANISOU 218 C VAL A 726 8237 6460 7475 -2349 1185 -917 C +ATOM 219 O VAL A 726 -2.478 189.012 20.832 1.00 61.65 O +ANISOU 219 O VAL A 726 8742 6777 7903 -2442 1233 -1077 O +ATOM 220 CB VAL A 726 -0.728 190.824 22.581 1.00 58.16 C +ANISOU 220 CB VAL A 726 8264 6381 7453 -1860 1091 -665 C +ATOM 221 CG1 VAL A 726 -1.373 192.158 22.181 1.00 54.82 C +ANISOU 221 CG1 VAL A 726 7642 6285 6901 -1841 924 -695 C +ATOM 222 CG2 VAL A 726 0.264 191.060 23.713 1.00 57.63 C +ANISOU 222 CG2 VAL A 726 8252 6216 7428 -1624 1103 -461 C +ATOM 223 N TYR A 727 -4.009 190.077 22.097 1.00 55.39 N +ANISOU 223 N TYR A 727 7686 6331 7026 -2464 1115 -924 N +ATOM 224 CA TYR A 727 -5.113 189.947 21.138 1.00 56.53 C +ANISOU 224 CA TYR A 727 7711 6675 7092 -2716 1077 -1112 C +ATOM 225 C TYR A 727 -5.532 191.316 20.621 1.00 55.66 C +ANISOU 225 C TYR A 727 7388 6920 6838 -2628 893 -1108 C +ATOM 226 O TYR A 727 -5.436 192.318 21.324 1.00 48.16 O +ANISOU 226 O TYR A 727 6353 6076 5868 -2431 816 -957 O +ATOM 227 CB TYR A 727 -6.345 189.345 21.782 1.00 60.52 C +ANISOU 227 CB TYR A 727 8153 7213 7627 -2944 1152 -1119 C +ATOM 228 CG TYR A 727 -6.161 187.995 22.453 1.00 67.92 C +ANISOU 228 CG TYR A 727 9285 7802 8718 -3052 1350 -1091 C +ATOM 229 CD1 TYR A 727 -5.625 187.902 23.743 1.00 70.31 C +ANISOU 229 CD1 TYR A 727 9676 7934 9103 -2877 1419 -873 C +ATOM 230 CD2 TYR A 727 -6.561 186.815 21.815 1.00 74.31 C +ANISOU 230 CD2 TYR A 727 10186 8461 9587 -3336 1476 -1278 C +ATOM 231 CE1 TYR A 727 -5.473 186.671 24.369 1.00 76.79 C +ANISOU 231 CE1 TYR A 727 10671 8437 10066 -2961 1607 -813 C +ATOM 232 CE2 TYR A 727 -6.422 185.571 22.433 1.00 79.54 C +ANISOU 232 CE2 TYR A 727 11035 8775 10411 -3435 1677 -1240 C +ATOM 233 CZ TYR A 727 -5.872 185.503 23.709 1.00 80.74 C +ANISOU 233 CZ TYR A 727 11272 8755 10647 -3236 1743 -992 C +ATOM 234 OH TYR A 727 -5.719 184.289 24.345 1.00 83.97 O +ANISOU 234 OH TYR A 727 11865 8820 11219 -3311 1947 -918 O +ATOM 235 N LYS A 728 -6.038 191.347 19.405 1.00 54.79 N +ANISOU 235 N LYS A 728 7187 7002 6629 -2781 831 -1274 N +ATOM 236 CA LYS A 728 -6.695 192.528 18.911 1.00 55.48 C +ANISOU 236 CA LYS A 728 7048 7450 6581 -2731 670 -1257 C +ATOM 237 C LYS A 728 -8.179 192.323 19.212 1.00 51.90 C +ANISOU 237 C LYS A 728 6424 7199 6094 -2946 671 -1293 C +ATOM 238 O LYS A 728 -8.649 191.202 19.192 1.00 54.69 O +ANISOU 238 O LYS A 728 6836 7450 6491 -3198 778 -1411 O +ATOM 239 CB LYS A 728 -6.392 192.703 17.420 1.00 57.27 C +ANISOU 239 CB LYS A 728 7253 7809 6695 -2764 596 -1395 C +ATOM 240 CG LYS A 728 -7.542 193.188 16.574 1.00 62.35 C +ANISOU 240 CG LYS A 728 7661 8844 7184 -2900 477 -1471 C +ATOM 241 CD LYS A 728 -7.181 193.056 15.106 1.00 68.55 C +ANISOU 241 CD LYS A 728 8462 9732 7852 -2977 435 -1629 C +ATOM 242 CE LYS A 728 -8.415 193.171 14.227 1.00 77.32 C +ANISOU 242 CE LYS A 728 9344 11237 8796 -3187 340 -1742 C +ATOM 243 NZ LYS A 728 -8.726 194.599 13.933 1.00 78.21 N +ANISOU 243 NZ LYS A 728 9242 11676 8796 -2989 177 -1588 N +ATOM 244 N GLY A 729 -8.894 193.410 19.509 1.00 48.13 N +ANISOU 244 N GLY A 729 5738 6999 5550 -2842 563 -1188 N +ATOM 245 CA GLY A 729 -10.328 193.399 19.828 1.00 47.62 C +ANISOU 245 CA GLY A 729 5471 7178 5444 -3009 551 -1198 C +ATOM 246 C GLY A 729 -11.073 194.727 19.682 1.00 46.48 C +ANISOU 246 C GLY A 729 5068 7394 5199 -2874 410 -1109 C +ATOM 247 O GLY A 729 -10.559 195.730 19.160 1.00 46.10 O +ANISOU 247 O GLY A 729 4982 7434 5098 -2664 308 -1047 O +ATOM 248 N LEU A 730 -12.306 194.740 20.138 1.00 48.74 N +ANISOU 248 N LEU A 730 5169 7887 5462 -2991 412 -1094 N +ATOM 249 CA LEU A 730 -13.156 195.924 20.054 1.00 48.65 C +ANISOU 249 CA LEU A 730 4892 8224 5366 -2866 298 -1004 C +ATOM 250 C LEU A 730 -13.811 196.165 21.402 1.00 46.99 C +ANISOU 250 C LEU A 730 4600 8034 5218 -2812 357 -890 C +ATOM 251 O LEU A 730 -14.378 195.259 21.983 1.00 46.79 O +ANISOU 251 O LEU A 730 4586 7957 5233 -3020 456 -932 O +ATOM 252 CB LEU A 730 -14.222 195.711 18.982 1.00 52.48 C +ANISOU 252 CB LEU A 730 5162 9056 5720 -3094 224 -1125 C +ATOM 253 CG LEU A 730 -14.793 196.917 18.230 1.00 54.24 C +ANISOU 253 CG LEU A 730 5127 9663 5819 -2949 73 -1049 C +ATOM 254 CD1 LEU A 730 -13.694 197.615 17.453 1.00 52.23 C +ANISOU 254 CD1 LEU A 730 4972 9338 5533 -2735 -1 -1006 C +ATOM 255 CD2 LEU A 730 -15.959 196.491 17.318 1.00 57.94 C +ANISOU 255 CD2 LEU A 730 5365 10503 6145 -3223 11 -1174 C +ATOM 256 N TRP A 731 -13.758 197.386 21.897 1.00 44.72 N +ANISOU 256 N TRP A 731 4229 7824 4937 -2541 307 -751 N +ATOM 257 CA TRP A 731 -14.336 197.678 23.188 1.00 45.38 C +ANISOU 257 CA TRP A 731 4236 7936 5068 -2475 370 -654 C +ATOM 258 C TRP A 731 -15.548 198.582 22.969 1.00 47.55 C +ANISOU 258 C TRP A 731 4207 8587 5272 -2418 293 -608 C +ATOM 259 O TRP A 731 -15.473 199.569 22.241 1.00 46.73 O +ANISOU 259 O TRP A 731 4002 8631 5121 -2245 190 -561 O +ATOM 260 CB TRP A 731 -13.302 198.316 24.080 1.00 43.61 C +ANISOU 260 CB TRP A 731 4167 7484 4916 -2214 399 -547 C +ATOM 261 CG TRP A 731 -13.859 198.771 25.386 1.00 43.01 C +ANISOU 261 CG TRP A 731 4007 7465 4870 -2122 459 -456 C +ATOM 262 CD1 TRP A 731 -14.762 198.147 26.137 1.00 45.52 C +ANISOU 262 CD1 TRP A 731 4248 7853 5191 -2285 545 -457 C +ATOM 263 CD2 TRP A 731 -13.512 199.967 26.074 1.00 42.24 C +ANISOU 263 CD2 TRP A 731 3897 7356 4797 -1849 447 -361 C +ATOM 264 NE1 TRP A 731 -15.031 198.883 27.273 1.00 45.35 N +ANISOU 264 NE1 TRP A 731 4160 7884 5185 -2123 587 -366 N +ATOM 265 CE2 TRP A 731 -14.276 200.016 27.237 1.00 43.63 C +ANISOU 265 CE2 TRP A 731 3980 7614 4980 -1855 528 -316 C +ATOM 266 CE3 TRP A 731 -12.661 201.018 25.791 1.00 41.47 C +ANISOU 266 CE3 TRP A 731 3849 7191 4713 -1611 383 -319 C +ATOM 267 CZ2 TRP A 731 -14.181 201.059 28.145 1.00 44.59 C +ANISOU 267 CZ2 TRP A 731 4072 7747 5121 -1631 549 -246 C +ATOM 268 CZ3 TRP A 731 -12.555 202.035 26.682 1.00 41.63 C +ANISOU 268 CZ3 TRP A 731 3845 7204 4765 -1400 405 -249 C +ATOM 269 CH2 TRP A 731 -13.302 202.057 27.845 1.00 41.12 C +ANISOU 269 CH2 TRP A 731 3698 7219 4704 -1409 488 -221 C +ATOM 270 N ILE A 732 -16.675 198.206 23.549 1.00 47.99 N +ANISOU 270 N ILE A 732 4109 8803 5320 -2571 349 -613 N +ATOM 271 CA ILE A 732 -17.908 198.913 23.337 1.00 53.47 C +ANISOU 271 CA ILE A 732 4494 9876 5946 -2540 287 -572 C +ATOM 272 C ILE A 732 -18.454 199.230 24.701 1.00 56.70 C +ANISOU 272 C ILE A 732 4831 10303 6408 -2453 379 -485 C +ATOM 273 O ILE A 732 -19.148 198.428 25.274 1.00 56.96 O +ANISOU 273 O ILE A 732 4818 10376 6448 -2663 464 -518 O +ATOM 274 CB ILE A 732 -18.895 198.063 22.548 1.00 57.17 C +ANISOU 274 CB ILE A 732 4797 10596 6328 -2860 262 -690 C +ATOM 275 CG1 ILE A 732 -18.272 197.658 21.201 1.00 58.77 C +ANISOU 275 CG1 ILE A 732 5096 10768 6465 -2966 184 -804 C +ATOM 276 CG2 ILE A 732 -20.162 198.858 22.315 1.00 60.68 C +ANISOU 276 CG2 ILE A 732 4891 11470 6694 -2801 189 -626 C +ATOM 277 CD1 ILE A 732 -19.067 196.628 20.417 1.00 63.64 C +ANISOU 277 CD1 ILE A 732 5603 11583 6995 -3333 175 -968 C +ATOM 278 N PRO A 733 -18.079 200.387 25.250 1.00 57.70 N +ANISOU 278 N PRO A 733 4965 10382 6575 -2148 373 -381 N +ATOM 279 CA PRO A 733 -18.420 200.665 26.646 1.00 60.38 C +ANISOU 279 CA PRO A 733 5278 10701 6960 -2059 477 -316 C +ATOM 280 C PRO A 733 -19.888 200.959 26.926 1.00 67.78 C +ANISOU 280 C PRO A 733 5911 11978 7861 -2089 497 -286 C +ATOM 281 O PRO A 733 -20.695 201.134 25.992 1.00 62.04 O +ANISOU 281 O PRO A 733 4957 11544 7070 -2141 412 -295 O +ATOM 282 CB PRO A 733 -17.542 201.868 27.000 1.00 58.11 C +ANISOU 282 CB PRO A 733 5089 10266 6723 -1735 461 -243 C +ATOM 283 CG PRO A 733 -17.135 202.463 25.702 1.00 56.93 C +ANISOU 283 CG PRO A 733 4920 10161 6549 -1631 339 -238 C +ATOM 284 CD PRO A 733 -17.189 201.394 24.663 1.00 54.56 C +ANISOU 284 CD PRO A 733 4638 9903 6188 -1894 290 -332 C +ATOM 285 N GLU A 734 -20.199 200.930 28.231 1.00 73.48 N +ANISOU 285 N GLU A 734 6632 12672 8615 -2068 613 -248 N +ATOM 286 CA GLU A 734 -21.434 201.459 28.824 1.00 74.83 C +ANISOU 286 CA GLU A 734 6533 13128 8768 -2012 661 -200 C +ATOM 287 C GLU A 734 -22.584 201.491 27.835 1.00 78.82 C +ANISOU 287 C GLU A 734 6738 14000 9207 -2115 580 -212 C +ATOM 288 O GLU A 734 -22.874 200.481 27.190 1.00 83.41 O +ANISOU 288 O GLU A 734 7298 14650 9744 -2403 553 -291 O +ATOM 289 CB GLU A 734 -21.163 202.856 29.408 1.00 72.61 C +ANISOU 289 CB GLU A 734 6241 12814 8531 -1662 679 -129 C +ATOM 290 N GLY A 735 -23.253 202.637 27.737 1.00 81.63 N +ANISOU 290 N GLY A 735 6858 14597 9558 -1882 549 -135 N +ATOM 291 CA GLY A 735 -24.309 202.843 26.743 1.00 85.93 C +ANISOU 291 CA GLY A 735 7088 15530 10029 -1926 455 -115 C +ATOM 292 C GLY A 735 -23.889 204.046 25.925 1.00 85.73 C +ANISOU 292 C GLY A 735 7033 15524 10014 -1625 353 -32 C +ATOM 293 O GLY A 735 -24.583 205.062 25.892 1.00 87.18 O +ANISOU 293 O GLY A 735 6985 15930 10209 -1396 345 67 O +ATOM 294 N GLU A 736 -22.743 203.926 25.259 1.00 78.78 N +ANISOU 294 N GLU A 736 6388 14405 9137 -1620 286 -65 N +ATOM 295 CA GLU A 736 -22.094 205.082 24.687 1.00 75.52 C +ANISOU 295 CA GLU A 736 6016 13918 8758 -1323 218 20 C +ATOM 296 C GLU A 736 -22.130 205.250 23.155 1.00 74.45 C +ANISOU 296 C GLU A 736 5769 13985 8533 -1329 70 51 C +ATOM 297 O GLU A 736 -21.727 206.298 22.667 1.00 77.14 O +ANISOU 297 O GLU A 736 6108 14298 8902 -1067 21 152 O +ATOM 298 CB GLU A 736 -20.631 205.092 25.136 1.00 20.00 C +ATOM 299 N LYS A 737 -22.582 204.251 22.400 1.00 71.67 N +ANISOU 299 N LYS A 737 5327 13832 8070 -1628 7 -37 N +ATOM 300 CA LYS A 737 -22.560 204.312 20.925 1.00 70.92 C +ANISOU 300 CA LYS A 737 5136 13948 7860 -1666 -135 -28 C +ATOM 301 C LYS A 737 -21.162 204.661 20.381 1.00 67.93 C +ANISOU 301 C LYS A 737 5025 13272 7510 -1528 -177 -17 C +ATOM 302 O LYS A 737 -20.994 205.497 19.488 1.00 72.61 O +ANISOU 302 O LYS A 737 5543 13980 8064 -1340 -267 88 O +ATOM 303 CB LYS A 737 -23.647 205.271 20.375 1.00 74.08 C +ANISOU 303 CB LYS A 737 5172 14776 8199 -1482 -210 121 C +ATOM 304 N VAL A 738 -20.151 204.012 20.937 1.00 62.22 N +ANISOU 304 N VAL A 738 4609 12173 6857 -1618 -106 -114 N +ATOM 305 CA VAL A 738 -18.810 204.044 20.366 1.00 60.45 C +ANISOU 305 CA VAL A 738 4641 11681 6646 -1562 -142 -136 C +ATOM 306 C VAL A 738 -18.204 202.650 20.390 1.00 56.83 C +ANISOU 306 C VAL A 738 4409 11002 6179 -1851 -100 -300 C +ATOM 307 O VAL A 738 -18.522 201.850 21.272 1.00 56.57 O +ANISOU 307 O VAL A 738 4419 10886 6187 -2020 -6 -366 O +ATOM 308 CB VAL A 738 -17.860 205.000 21.118 1.00 60.23 C +ANISOU 308 CB VAL A 738 4794 11342 6748 -1269 -85 -51 C +ATOM 309 CG1 VAL A 738 -18.401 206.416 21.090 1.00 62.70 C +ANISOU 309 CG1 VAL A 738 4908 11820 7095 -968 -103 107 C +ATOM 310 CG2 VAL A 738 -17.650 204.548 22.550 1.00 59.59 C +ANISOU 310 CG2 VAL A 738 4864 11019 6758 -1315 40 -102 C +ATOM 311 N LYS A 739 -17.314 202.386 19.441 1.00 53.15 N +ANISOU 311 N LYS A 739 4092 10432 5667 -1895 -157 -357 N +ATOM 312 CA LYS A 739 -16.556 201.145 19.360 1.00 52.10 C +ANISOU 312 CA LYS A 739 4204 10046 5544 -2125 -108 -507 C +ATOM 313 C LYS A 739 -15.085 201.481 19.210 1.00 48.35 C +ANISOU 313 C LYS A 739 3981 9262 5126 -1952 -109 -482 C +ATOM 314 O LYS A 739 -14.708 202.109 18.256 1.00 49.09 O +ANISOU 314 O LYS A 739 4048 9440 5161 -1834 -195 -437 O +ATOM 315 CB LYS A 739 -16.972 200.323 18.152 1.00 54.02 C +ANISOU 315 CB LYS A 739 4362 10512 5651 -2401 -173 -643 C +ATOM 316 CG LYS A 739 -18.452 200.124 17.996 1.00 60.20 C +ANISOU 316 CG LYS A 739 4842 11688 6342 -2577 -206 -666 C +ATOM 317 CD LYS A 739 -18.688 199.156 16.840 1.00 63.33 C +ANISOU 317 CD LYS A 739 5201 12261 6600 -2896 -258 -845 C +ATOM 318 CE LYS A 739 -20.082 198.571 16.867 1.00 70.44 C +ANISOU 318 CE LYS A 739 5846 13491 7426 -3170 -258 -922 C +ATOM 319 NZ LYS A 739 -21.091 199.574 16.426 1.00 72.64 N +ANISOU 319 NZ LYS A 739 5770 14233 7596 -3026 -374 -784 N +ATOM 320 N ILE A 740 -14.263 201.038 20.149 1.00 45.16 N +ANISOU 320 N ILE A 740 3812 8517 4829 -1943 -11 -504 N +ATOM 321 CA ILE A 740 -12.905 201.456 20.238 1.00 44.46 C +ANISOU 321 CA ILE A 740 3937 8149 4805 -1758 -4 -463 C +ATOM 322 C ILE A 740 -12.016 200.250 19.976 1.00 44.18 C +ANISOU 322 C ILE A 740 4134 7868 4781 -1932 44 -585 C +ATOM 323 O ILE A 740 -12.106 199.262 20.714 1.00 44.74 O +ANISOU 323 O ILE A 740 4302 7791 4905 -2090 140 -642 O +ATOM 324 CB ILE A 740 -12.634 202.016 21.660 1.00 44.16 C +ANISOU 324 CB ILE A 740 3967 7934 4877 -1577 72 -375 C +ATOM 325 CG1 ILE A 740 -13.476 203.276 21.876 1.00 46.31 C +ANISOU 325 CG1 ILE A 740 4017 8426 5152 -1382 41 -264 C +ATOM 326 CG2 ILE A 740 -11.167 202.351 21.846 1.00 41.96 C +ANISOU 326 CG2 ILE A 740 3912 7365 4663 -1414 85 -346 C +ATOM 327 CD1 ILE A 740 -14.202 203.276 23.171 1.00 51.32 C +ANISOU 327 CD1 ILE A 740 4581 9083 5833 -1381 129 -242 C +ATOM 328 N PRO A 741 -11.156 200.321 18.959 1.00 43.22 N +ANISOU 328 N PRO A 741 4106 7695 4618 -1896 -8 -616 N +ATOM 329 CA PRO A 741 -10.191 199.251 18.698 1.00 41.82 C +ANISOU 329 CA PRO A 741 4161 7262 4467 -2021 50 -728 C +ATOM 330 C PRO A 741 -9.148 199.138 19.794 1.00 38.90 C +ANISOU 330 C PRO A 741 4002 6557 4220 -1897 136 -673 C +ATOM 331 O PRO A 741 -8.477 200.136 20.199 1.00 35.74 O +ANISOU 331 O PRO A 741 3634 6080 3864 -1658 114 -563 O +ATOM 332 CB PRO A 741 -9.549 199.684 17.353 1.00 42.81 C +ANISOU 332 CB PRO A 741 4295 7464 4504 -1954 -37 -744 C +ATOM 333 CG PRO A 741 -10.586 200.551 16.726 1.00 44.48 C +ANISOU 333 CG PRO A 741 4241 8046 4610 -1911 -143 -678 C +ATOM 334 CD PRO A 741 -11.077 201.348 17.897 1.00 44.35 C +ANISOU 334 CD PRO A 741 4135 8033 4681 -1746 -120 -547 C +ATOM 335 N VAL A 742 -9.024 197.931 20.328 1.00 39.39 N +ANISOU 335 N VAL A 742 4204 6422 4341 -2060 241 -741 N +ATOM 336 CA VAL A 742 -8.092 197.712 21.450 1.00 37.96 C +ANISOU 336 CA VAL A 742 4208 5948 4264 -1950 327 -671 C +ATOM 337 C VAL A 742 -7.115 196.538 21.259 1.00 37.29 C +ANISOU 337 C VAL A 742 4352 5580 4235 -2038 413 -744 C +ATOM 338 O VAL A 742 -7.343 195.662 20.465 1.00 39.35 O +ANISOU 338 O VAL A 742 4643 5836 4471 -2237 441 -875 O +ATOM 339 CB VAL A 742 -8.855 197.462 22.757 1.00 37.56 C +ANISOU 339 CB VAL A 742 4112 5900 4259 -2001 403 -615 C +ATOM 340 CG1 VAL A 742 -9.660 198.691 23.184 1.00 37.05 C +ANISOU 340 CG1 VAL A 742 3841 6071 4163 -1862 344 -529 C +ATOM 341 CG2 VAL A 742 -9.732 196.259 22.642 1.00 40.47 C +ANISOU 341 CG2 VAL A 742 4460 6293 4624 -2288 473 -715 C +ATOM 342 N ALA A 743 -6.033 196.567 22.020 1.00 36.30 N +ANISOU 342 N ALA A 743 4379 5227 4183 -1881 460 -658 N +ATOM 343 CA ALA A 743 -5.195 195.404 22.200 1.00 37.97 C +ANISOU 343 CA ALA A 743 4800 5153 4473 -1937 569 -685 C +ATOM 344 C ALA A 743 -5.428 194.941 23.640 1.00 39.82 C +ANISOU 344 C ALA A 743 5077 5278 4775 -1949 664 -586 C +ATOM 345 O ALA A 743 -5.665 195.742 24.546 1.00 36.91 O +ANISOU 345 O ALA A 743 4623 5008 4393 -1827 635 -484 O +ATOM 346 CB ALA A 743 -3.739 195.729 21.952 1.00 35.89 C +ANISOU 346 CB ALA A 743 4663 4740 4233 -1745 550 -645 C +ATOM 347 N ILE A 744 -5.358 193.645 23.834 1.00 40.73 N +ANISOU 347 N ILE A 744 5328 5186 4960 -2095 787 -617 N +ATOM 348 CA ILE A 744 -5.744 192.991 25.106 1.00 44.62 C +ANISOU 348 CA ILE A 744 5860 5579 5512 -2155 898 -522 C +ATOM 349 C ILE A 744 -4.633 192.026 25.499 1.00 47.83 C +ANISOU 349 C ILE A 744 6488 5666 6018 -2103 1014 -457 C +ATOM 350 O ILE A 744 -4.452 191.017 24.826 1.00 50.26 O +ANISOU 350 O ILE A 744 6914 5795 6385 -2237 1098 -556 O +ATOM 351 CB ILE A 744 -7.032 192.185 24.918 1.00 45.21 C +ANISOU 351 CB ILE A 744 5866 5720 5590 -2442 961 -620 C +ATOM 352 CG1 ILE A 744 -8.188 193.100 24.538 1.00 45.38 C +ANISOU 352 CG1 ILE A 744 5644 6088 5510 -2488 847 -668 C +ATOM 353 CG2 ILE A 744 -7.395 191.420 26.188 1.00 47.79 C +ANISOU 353 CG2 ILE A 744 6248 5925 5984 -2518 1093 -510 C +ATOM 354 CD1 ILE A 744 -9.339 192.418 23.842 1.00 47.43 C +ANISOU 354 CD1 ILE A 744 5805 6473 5740 -2784 869 -815 C +ATOM 355 N LYS A 745 -3.865 192.348 26.537 1.00 48.31 N +ANISOU 355 N LYS A 745 6599 5663 6093 -1905 1022 -298 N +ATOM 356 CA LYS A 745 -2.706 191.548 26.927 1.00 51.58 C +ANISOU 356 CA LYS A 745 7201 5804 6591 -1809 1119 -204 C +ATOM 357 C LYS A 745 -2.974 190.690 28.167 1.00 57.22 C +ANISOU 357 C LYS A 745 7981 6396 7362 -1859 1250 -62 C +ATOM 358 O LYS A 745 -3.477 191.194 29.179 1.00 51.29 O +ANISOU 358 O LYS A 745 7133 5798 6554 -1824 1230 34 O +ATOM 359 CB LYS A 745 -1.487 192.448 27.180 1.00 53.26 C +ANISOU 359 CB LYS A 745 7423 6041 6771 -1547 1034 -114 C +ATOM 360 CG LYS A 745 -0.297 191.754 27.848 1.00 55.62 C +ANISOU 360 CG LYS A 745 7875 6117 7137 -1410 1123 28 C +ATOM 361 CD LYS A 745 0.952 192.565 27.601 1.00 57.77 C +ANISOU 361 CD LYS A 745 8151 6419 7379 -1197 1032 54 C +ATOM 362 CE LYS A 745 2.024 192.319 28.641 1.00 59.49 C +ANISOU 362 CE LYS A 745 8443 6545 7616 -1022 1075 237 C +ATOM 363 NZ LYS A 745 3.204 193.172 28.324 1.00 58.81 N +ANISOU 363 NZ LYS A 745 8337 6514 7494 -838 979 242 N +ATOM 364 N GLU A 746 -2.622 189.401 28.076 1.00 62.50 N +ANISOU 364 N GLU A 746 8819 6784 8143 -1935 1395 -48 N +ATOM 365 CA GLU A 746 -2.559 188.497 29.242 1.00 68.17 C +ANISOU 365 CA GLU A 746 9638 7331 8933 -1935 1538 132 C +ATOM 366 C GLU A 746 -1.306 187.601 29.193 1.00 69.35 C +ANISOU 366 C GLU A 746 9983 7171 9194 -1812 1647 220 C +ATOM 367 O GLU A 746 -1.131 186.702 30.020 1.00 76.63 O +ANISOU 367 O GLU A 746 11012 7904 10197 -1799 1786 385 O +ATOM 368 CB GLU A 746 -3.829 187.659 29.336 1.00 70.66 C +ANISOU 368 CB GLU A 746 9943 7606 9296 -2213 1650 80 C +ATOM 369 CG GLU A 746 -4.125 186.812 28.110 1.00 75.39 C +ANISOU 369 CG GLU A 746 10621 8045 9978 -2433 1722 -125 C +ATOM 370 CD GLU A 746 -5.504 186.166 28.162 1.00 80.59 C +ANISOU 370 CD GLU A 746 11227 8729 10663 -2740 1810 -204 C +ATOM 371 OE1 GLU A 746 -6.464 186.846 28.559 1.00 81.72 O +ANISOU 371 OE1 GLU A 746 11188 9150 10711 -2797 1732 -197 O +ATOM 372 OE2 GLU A 746 -5.642 184.980 27.794 1.00 86.75 O +ANISOU 372 OE2 GLU A 746 12143 9250 11564 -2930 1965 -282 O +ATOM 373 N SER A 752 2.694 180.815 39.133 1.00119.02 N +ANISOU 373 N SER A 752 17022 12364 15836 -739 2772 2872 N +ATOM 374 CA SER A 752 1.610 181.484 38.428 1.00118.77 C +ANISOU 374 CA SER A 752 16906 12453 15765 -994 2680 2540 C +ATOM 375 C SER A 752 1.068 182.689 39.226 1.00123.73 C +ANISOU 375 C SER A 752 17334 13527 16148 -1011 2511 2520 C +ATOM 376 O SER A 752 0.915 183.772 38.647 1.00124.21 O +ANISOU 376 O SER A 752 17279 13797 16117 -1041 2340 2274 O +ATOM 377 CB SER A 752 0.503 180.481 38.071 1.00118.92 C +ANISOU 377 CB SER A 752 17038 12188 15958 -1283 2870 2462 C +ATOM 378 OG SER A 752 -0.659 181.135 37.592 1.00111.91 O +ANISOU 378 OG SER A 752 16032 11486 15002 -1531 2777 2184 O +ATOM 379 N PRO A 753 0.775 182.518 40.548 1.00127.66 N +ANISOU 379 N PRO A 753 17791 14172 16541 -988 2565 2779 N +ATOM 380 CA PRO A 753 0.506 183.706 41.395 1.00123.70 C +ANISOU 380 CA PRO A 753 17102 14109 15789 -953 2407 2770 C +ATOM 381 C PRO A 753 1.653 184.752 41.425 1.00123.78 C +ANISOU 381 C PRO A 753 17018 14354 15656 -718 2216 2740 C +ATOM 382 O PRO A 753 1.386 185.957 41.539 1.00115.62 O +ANISOU 382 O PRO A 753 15840 13625 14465 -733 2061 2576 O +ATOM 383 CB PRO A 753 0.274 183.102 42.791 1.00122.45 C +ANISOU 383 CB PRO A 753 16950 14022 15554 -931 2528 3101 C +ATOM 384 CG PRO A 753 -0.228 181.724 42.533 1.00124.66 C +ANISOU 384 CG PRO A 753 17395 13910 16059 -1082 2756 3194 C +ATOM 385 CD PRO A 753 0.443 181.263 41.262 1.00127.74 C +ANISOU 385 CD PRO A 753 17920 13957 16656 -1044 2787 3053 C +ATOM 386 N LYS A 754 2.905 184.291 41.312 1.00122.41 N +ANISOU 386 N LYS A 754 16927 14035 15547 -508 2238 2892 N +ATOM 387 CA LYS A 754 4.075 185.177 41.247 1.00113.66 C +ANISOU 387 CA LYS A 754 15734 13126 14325 -297 2071 2863 C +ATOM 388 C LYS A 754 4.058 186.100 40.020 1.00107.11 C +ANISOU 388 C LYS A 754 14858 12318 13520 -358 1934 2520 C +ATOM 389 O LYS A 754 4.687 187.156 40.047 1.00105.75 O +ANISOU 389 O LYS A 754 14576 12383 13218 -248 1774 2440 O +ATOM 390 CB LYS A 754 5.371 184.352 41.269 1.00112.78 C +ANISOU 390 CB LYS A 754 15718 12827 14306 -65 2145 3103 C +ATOM 391 N ALA A 755 3.330 185.707 38.964 1.00103.27 N +ANISOU 391 N ALA A 755 14449 11594 13192 -542 2000 2322 N +ATOM 392 CA ALA A 755 3.252 186.470 37.697 1.00 97.05 C +ANISOU 392 CA ALA A 755 13626 10815 12433 -609 1884 2011 C +ATOM 393 C ALA A 755 2.141 187.538 37.618 1.00 90.20 C +ANISOU 393 C ALA A 755 12617 10199 11455 -768 1772 1799 C +ATOM 394 O ALA A 755 2.327 188.550 36.933 1.00 77.04 O +ANISOU 394 O ALA A 755 10872 8656 9741 -744 1631 1605 O +ATOM 395 CB ALA A 755 3.123 185.510 36.518 1.00 98.15 C +ANISOU 395 CB ALA A 755 13913 10595 12782 -719 2007 1893 C +ATOM 396 N ASN A 756 0.994 187.310 38.281 1.00 91.90 N +ANISOU 396 N ASN A 756 12797 10480 11637 -926 1842 1841 N +ATOM 397 CA ASN A 756 -0.093 188.330 38.379 1.00 88.10 C +ANISOU 397 CA ASN A 756 12163 10266 11043 -1052 1749 1671 C +ATOM 398 C ASN A 756 0.345 189.636 39.076 1.00 82.95 C +ANISOU 398 C ASN A 756 11376 9937 10203 -903 1600 1665 C +ATOM 399 O ASN A 756 -0.220 190.702 38.818 1.00 78.28 O +ANISOU 399 O ASN A 756 10666 9530 9544 -951 1497 1478 O +ATOM 400 CB ASN A 756 -1.341 187.758 39.076 1.00 87.41 C +ANISOU 400 CB ASN A 756 12058 10200 10953 -1238 1871 1747 C +ATOM 401 N LYS A 757 1.346 189.527 39.959 1.00 82.52 N +ANISOU 401 N LYS A 757 11337 9948 10066 -726 1597 1871 N +ATOM 402 CA LYS A 757 1.976 190.675 40.632 1.00 77.41 C +ANISOU 402 CA LYS A 757 10575 9596 9240 -585 1462 1865 C +ATOM 403 C LYS A 757 2.725 191.530 39.642 1.00 69.49 C +ANISOU 403 C LYS A 757 9549 8590 8264 -504 1332 1681 C +ATOM 404 O LYS A 757 2.682 192.742 39.748 1.00 66.45 O +ANISOU 404 O LYS A 757 9054 8418 7773 -485 1218 1542 O +ATOM 405 CB LYS A 757 2.943 190.225 41.749 1.00 77.26 C +ANISOU 405 CB LYS A 757 10574 9659 9121 -419 1491 2144 C +ATOM 406 N GLU A 758 3.413 190.906 38.679 1.00 67.99 N +ANISOU 406 N GLU A 758 9464 8151 8217 -459 1359 1677 N +ATOM 407 CA GLU A 758 4.152 191.665 37.641 1.00 62.57 C +ANISOU 407 CA GLU A 758 8758 7452 7560 -388 1245 1508 C +ATOM 408 C GLU A 758 3.187 192.364 36.664 1.00 60.07 C +ANISOU 408 C GLU A 758 8391 7152 7281 -533 1189 1254 C +ATOM 409 O GLU A 758 3.433 193.509 36.248 1.00 48.61 O +ANISOU 409 O GLU A 758 6860 5829 5781 -489 1068 1111 O +ATOM 410 CB GLU A 758 5.166 190.782 36.878 1.00 61.83 C +ANISOU 410 CB GLU A 758 8788 7100 7603 -292 1302 1572 C +ATOM 411 N ILE A 759 2.075 191.700 36.318 1.00 60.21 N +ANISOU 411 N ILE A 759 8445 7052 7380 -707 1277 1206 N +ATOM 412 CA ILE A 759 1.116 192.319 35.385 1.00 58.11 C +ANISOU 412 CA ILE A 759 8109 6834 7136 -843 1221 983 C +ATOM 413 C ILE A 759 0.376 193.481 36.077 1.00 52.10 C +ANISOU 413 C ILE A 759 7196 6352 6246 -856 1146 924 C +ATOM 414 O ILE A 759 0.102 194.469 35.420 1.00 41.46 O +ANISOU 414 O ILE A 759 5765 5100 4884 -862 1052 763 O +ATOM 415 CB ILE A 759 0.156 191.317 34.683 1.00 59.94 C +ANISOU 415 CB ILE A 759 8404 6883 7486 -1046 1327 917 C +ATOM 416 CG1 ILE A 759 -0.090 191.761 33.230 1.00 62.26 C +ANISOU 416 CG1 ILE A 759 8670 7161 7826 -1119 1251 694 C +ATOM 417 CG2 ILE A 759 -1.165 191.197 35.405 1.00 62.69 C +ANISOU 417 CG2 ILE A 759 8678 7347 7793 -1199 1385 939 C +ATOM 418 CD1 ILE A 759 -0.909 190.783 32.404 1.00 63.85 C +ANISOU 418 CD1 ILE A 759 8931 7197 8132 -1331 1345 596 C +ATOM 419 N LEU A 760 0.098 193.376 37.387 1.00 50.47 N +ANISOU 419 N LEU A 760 6957 6274 5946 -848 1195 1060 N +ATOM 420 CA LEU A 760 -0.443 194.544 38.112 1.00 48.74 C +ANISOU 420 CA LEU A 760 6598 6324 5595 -834 1132 993 C +ATOM 421 C LEU A 760 0.554 195.685 38.356 1.00 44.68 C +ANISOU 421 C LEU A 760 6035 5949 4990 -676 1019 950 C +ATOM 422 O LEU A 760 0.136 196.833 38.398 1.00 41.09 O +ANISOU 422 O LEU A 760 5478 5652 4481 -670 954 815 O +ATOM 423 CB LEU A 760 -1.141 194.150 39.389 1.00 50.70 C +ANISOU 423 CB LEU A 760 6814 6695 5756 -892 1223 1124 C +ATOM 424 CG LEU A 760 -2.465 193.383 39.124 1.00 54.76 C +ANISOU 424 CG LEU A 760 7324 7131 6349 -1090 1325 1108 C +ATOM 425 CD1 LEU A 760 -3.152 193.079 40.421 1.00 57.55 C +ANISOU 425 CD1 LEU A 760 7633 7629 6604 -1146 1418 1242 C +ATOM 426 CD2 LEU A 760 -3.451 194.113 38.227 1.00 55.68 C +ANISOU 426 CD2 LEU A 760 7334 7319 6501 -1187 1267 897 C +ATOM 427 N ASP A 761 1.855 195.408 38.458 1.00 42.85 N +ANISOU 427 N ASP A 761 5870 5657 4752 -551 998 1053 N +ATOM 428 CA ASP A 761 2.838 196.508 38.498 1.00 42.35 C +ANISOU 428 CA ASP A 761 5755 5716 4618 -426 886 985 C +ATOM 429 C ASP A 761 2.844 197.240 37.176 1.00 40.13 C +ANISOU 429 C ASP A 761 5459 5360 4427 -435 810 801 C +ATOM 430 O ASP A 761 2.954 198.488 37.120 1.00 37.64 O +ANISOU 430 O ASP A 761 5067 5167 4068 -396 729 676 O +ATOM 431 CB ASP A 761 4.269 196.015 38.796 1.00 45.91 C +ANISOU 431 CB ASP A 761 6262 6134 5046 -290 876 1140 C +ATOM 432 CG ASP A 761 4.451 195.528 40.246 1.00 50.68 C +ANISOU 432 CG ASP A 761 6853 6884 5516 -246 927 1343 C +ATOM 433 OD1 ASP A 761 3.791 196.014 41.187 1.00 50.96 O +ANISOU 433 OD1 ASP A 761 6811 7123 5426 -292 932 1326 O +ATOM 434 OD2 ASP A 761 5.280 194.627 40.450 1.00 59.51 O +ANISOU 434 OD2 ASP A 761 8037 7921 6652 -157 968 1532 O +ATOM 435 N GLU A 762 2.771 196.464 36.089 1.00 37.35 N +ANISOU 435 N GLU A 762 5187 4802 4202 -486 844 785 N +ATOM 436 CA GLU A 762 2.669 197.020 34.745 1.00 36.38 C +ANISOU 436 CA GLU A 762 5050 4616 4154 -511 781 624 C +ATOM 437 C GLU A 762 1.396 197.857 34.569 1.00 34.25 C +ANISOU 437 C GLU A 762 4673 4471 3868 -597 754 492 C +ATOM 438 O GLU A 762 1.452 198.939 34.022 1.00 32.84 O +ANISOU 438 O GLU A 762 4432 4354 3689 -555 675 381 O +ATOM 439 CB GLU A 762 2.726 195.871 33.716 1.00 39.05 C +ANISOU 439 CB GLU A 762 5497 4725 4612 -573 843 627 C +ATOM 440 CG GLU A 762 2.806 196.318 32.282 1.00 39.18 C +ANISOU 440 CG GLU A 762 5509 4688 4688 -590 780 477 C +ATOM 441 CD GLU A 762 3.078 195.148 31.323 1.00 41.21 C +ANISOU 441 CD GLU A 762 5885 4721 5049 -641 851 469 C +ATOM 442 OE1 GLU A 762 3.441 194.065 31.803 1.00 43.90 O +ANISOU 442 OE1 GLU A 762 6322 4923 5433 -626 948 594 O +ATOM 443 OE2 GLU A 762 2.936 195.299 30.089 1.00 42.30 O +ANISOU 443 OE2 GLU A 762 6024 4820 5227 -693 818 339 O +ATOM 444 N ALA A 763 0.254 197.370 35.050 1.00 32.75 N +ANISOU 444 N ALA A 763 4454 4321 3668 -710 825 518 N +ATOM 445 CA ALA A 763 -0.974 198.142 34.948 1.00 33.47 C +ANISOU 445 CA ALA A 763 4424 4552 3741 -778 806 408 C +ATOM 446 C ALA A 763 -0.862 199.442 35.724 1.00 35.92 C +ANISOU 446 C ALA A 763 4645 5040 3963 -677 757 364 C +ATOM 447 O ALA A 763 -1.326 200.478 35.230 1.00 35.17 O +ANISOU 447 O ALA A 763 4463 5016 3882 -657 706 248 O +ATOM 448 CB ALA A 763 -2.149 197.367 35.468 1.00 33.39 C +ANISOU 448 CB ALA A 763 4387 4574 3725 -917 901 455 C +ATOM 449 N TYR A 764 -0.224 199.396 36.913 1.00 35.57 N +ANISOU 449 N TYR A 764 4621 5067 3825 -613 777 455 N +ATOM 450 CA TYR A 764 -0.001 200.591 37.713 1.00 35.68 C +ANISOU 450 CA TYR A 764 4562 5249 3744 -532 738 393 C +ATOM 451 C TYR A 764 0.729 201.663 36.925 1.00 35.06 C +ANISOU 451 C TYR A 764 4473 5136 3709 -448 649 280 C +ATOM 452 O TYR A 764 0.305 202.832 36.865 1.00 32.80 O +ANISOU 452 O TYR A 764 4109 4927 3424 -421 624 161 O +ATOM 453 CB TYR A 764 0.777 200.272 39.019 1.00 38.29 C +ANISOU 453 CB TYR A 764 4920 5679 3949 -481 761 514 C +ATOM 454 CG TYR A 764 0.955 201.485 39.920 1.00 39.04 C +ANISOU 454 CG TYR A 764 4936 5968 3926 -426 732 421 C +ATOM 455 CD1 TYR A 764 2.011 202.386 39.727 1.00 38.84 C +ANISOU 455 CD1 TYR A 764 4910 5954 3893 -345 653 339 C +ATOM 456 CD2 TYR A 764 0.082 201.720 40.966 1.00 40.92 C +ANISOU 456 CD2 TYR A 764 5103 6380 4062 -465 793 405 C +ATOM 457 CE1 TYR A 764 2.159 203.505 40.529 1.00 37.26 C +ANISOU 457 CE1 TYR A 764 4645 5916 3593 -316 638 227 C +ATOM 458 CE2 TYR A 764 0.237 202.836 41.791 1.00 42.50 C +ANISOU 458 CE2 TYR A 764 5239 6754 4153 -423 779 292 C +ATOM 459 CZ TYR A 764 1.288 203.736 41.539 1.00 39.03 C +ANISOU 459 CZ TYR A 764 4807 6304 3719 -353 702 195 C +ATOM 460 OH TYR A 764 1.433 204.848 42.348 1.00 37.91 O +ANISOU 460 OH TYR A 764 4607 6319 3475 -332 701 58 O +ATOM 461 N VAL A 765 1.869 201.308 36.354 1.00 34.00 N +ANISOU 461 N VAL A 765 4418 4885 3614 -398 609 324 N +ATOM 462 CA VAL A 765 2.623 202.276 35.556 1.00 35.87 C +ANISOU 462 CA VAL A 765 4647 5084 3895 -328 531 231 C +ATOM 463 C VAL A 765 1.805 202.819 34.382 1.00 33.75 C +ANISOU 463 C VAL A 765 4336 4770 3717 -359 507 129 C +ATOM 464 O VAL A 765 1.731 204.047 34.121 1.00 34.99 O +ANISOU 464 O VAL A 765 4434 4966 3893 -312 468 32 O +ATOM 465 CB VAL A 765 3.926 201.643 35.042 1.00 36.68 C +ANISOU 465 CB VAL A 765 4836 5068 4031 -275 505 305 C +ATOM 466 CG1 VAL A 765 4.625 202.560 34.063 1.00 36.14 C +ANISOU 466 CG1 VAL A 765 4759 4953 4018 -221 433 215 C +ATOM 467 CG2 VAL A 765 4.815 201.287 36.224 1.00 38.69 C +ANISOU 467 CG2 VAL A 765 5106 5410 4184 -220 514 417 C +ATOM 468 N MET A 766 1.222 201.906 33.641 1.00 33.73 N +ANISOU 468 N MET A 766 4361 4682 3771 -438 533 154 N +ATOM 469 CA MET A 766 0.500 202.288 32.408 1.00 33.50 C +ANISOU 469 CA MET A 766 4283 4635 3809 -474 500 72 C +ATOM 470 C MET A 766 -0.730 203.123 32.729 1.00 34.28 C +ANISOU 470 C MET A 766 4260 4871 3893 -485 511 12 C +ATOM 471 O MET A 766 -1.133 203.955 31.924 1.00 36.77 O +ANISOU 471 O MET A 766 4508 5212 4250 -455 470 -50 O +ATOM 472 CB MET A 766 0.030 201.065 31.659 1.00 36.00 C +ANISOU 472 CB MET A 766 4646 4861 4171 -587 534 93 C +ATOM 473 CG MET A 766 0.987 200.522 30.649 1.00 38.57 C +ANISOU 473 CG MET A 766 5068 5040 4545 -574 514 96 C +ATOM 474 SD MET A 766 0.229 199.218 29.649 1.00 41.09 S +ANISOU 474 SD MET A 766 5432 5262 4918 -738 564 65 S +ATOM 475 CE MET A 766 -0.007 199.974 28.047 1.00 41.70 C +ANISOU 475 CE MET A 766 5443 5389 5010 -744 478 -44 C +ATOM 476 N ALA A 767 -1.312 202.963 33.924 1.00 34.13 N +ANISOU 476 N ALA A 767 4204 4949 3811 -514 571 39 N +ATOM 477 CA ALA A 767 -2.428 203.831 34.325 1.00 34.82 C +ANISOU 477 CA ALA A 767 4168 5177 3883 -504 595 -23 C +ATOM 478 C ALA A 767 -1.973 205.218 34.771 1.00 35.69 C +ANISOU 478 C ALA A 767 4249 5331 3980 -388 575 -99 C +ATOM 479 O ALA A 767 -2.800 206.114 34.935 1.00 39.28 O +ANISOU 479 O ALA A 767 4606 5871 4447 -350 599 -164 O +ATOM 480 CB ALA A 767 -3.264 203.189 35.424 1.00 34.82 C +ANISOU 480 CB ALA A 767 4133 5279 3816 -583 678 24 C +ATOM 481 N SER A 768 -0.685 205.395 35.004 1.00 32.53 N +ANISOU 481 N SER A 768 3925 4876 3557 -334 543 -93 N +ATOM 482 CA SER A 768 -0.179 206.623 35.580 1.00 35.55 C +ANISOU 482 CA SER A 768 4288 5301 3917 -255 537 -179 C +ATOM 483 C SER A 768 0.477 207.527 34.528 1.00 35.96 C +ANISOU 483 C SER A 768 4355 5248 4059 -188 478 -231 C +ATOM 484 O SER A 768 1.020 208.573 34.863 1.00 38.37 O +ANISOU 484 O SER A 768 4657 5553 4367 -133 475 -309 O +ATOM 485 CB SER A 768 0.893 206.276 36.635 1.00 35.44 C +ANISOU 485 CB SER A 768 4333 5333 3798 -252 537 -141 C +ATOM 486 OG SER A 768 0.352 205.491 37.678 1.00 36.55 O +ANISOU 486 OG SER A 768 4462 5582 3843 -306 597 -74 O +ATOM 487 N VAL A 769 0.509 207.083 33.284 1.00 33.78 N +ANISOU 487 N VAL A 769 4101 4883 3849 -202 436 -188 N +ATOM 488 CA VAL A 769 1.170 207.846 32.224 1.00 33.44 C +ANISOU 488 CA VAL A 769 4074 4748 3881 -143 382 -213 C +ATOM 489 C VAL A 769 0.124 208.379 31.268 1.00 35.77 C +ANISOU 489 C VAL A 769 4289 5055 4246 -122 376 -226 C +ATOM 490 O VAL A 769 -0.861 207.718 31.006 1.00 36.49 O +ANISOU 490 O VAL A 769 4333 5202 4329 -181 386 -198 O +ATOM 491 CB VAL A 769 2.207 207.006 31.445 1.00 33.92 C +ANISOU 491 CB VAL A 769 4223 4714 3950 -161 337 -153 C +ATOM 492 CG1 VAL A 769 3.361 206.596 32.342 1.00 35.82 C +ANISOU 492 CG1 VAL A 769 4526 4958 4126 -153 338 -122 C +ATOM 493 CG2 VAL A 769 1.588 205.794 30.816 1.00 35.07 C +ANISOU 493 CG2 VAL A 769 4384 4839 4101 -240 344 -103 C +ATOM 494 N ASP A 770 0.351 209.588 30.769 1.00 33.62 N +ANISOU 494 N ASP A 770 3994 4736 4041 -39 362 -262 N +ATOM 495 CA ASP A 770 -0.532 210.213 29.834 1.00 35.48 C +ANISOU 495 CA ASP A 770 4146 4989 4343 9 354 -247 C +ATOM 496 C ASP A 770 0.279 211.164 28.968 1.00 31.46 C +ANISOU 496 C ASP A 770 3666 4379 3907 84 322 -242 C +ATOM 497 O ASP A 770 0.500 212.306 29.337 1.00 31.32 O +ANISOU 497 O ASP A 770 3644 4310 3945 155 359 -290 O +ATOM 498 CB ASP A 770 -1.622 210.965 30.567 1.00 38.80 C +ANISOU 498 CB ASP A 770 4471 5488 4783 60 419 -290 C +ATOM 499 CG ASP A 770 -2.614 211.595 29.634 1.00 43.06 C +ANISOU 499 CG ASP A 770 4901 6069 5390 130 414 -251 C +ATOM 500 OD1 ASP A 770 -2.789 211.132 28.489 1.00 46.92 O +ANISOU 500 OD1 ASP A 770 5367 6584 5875 101 354 -187 O +ATOM 501 OD2 ASP A 770 -3.259 212.540 30.066 1.00 48.83 O +ANISOU 501 OD2 ASP A 770 5560 6821 6170 218 474 -283 O +ATOM 502 N ASN A 771 0.691 210.681 27.813 1.00 27.42 N +ANISOU 502 N ASN A 771 3185 3837 3396 60 265 -188 N +ATOM 503 CA ASN A 771 1.491 211.495 26.869 1.00 26.73 C +ANISOU 503 CA ASN A 771 3124 3663 3368 123 236 -163 C +ATOM 504 C ASN A 771 1.256 210.918 25.482 1.00 26.59 C +ANISOU 504 C ASN A 771 3087 3685 3328 94 181 -99 C +ATOM 505 O ASN A 771 1.099 209.681 25.335 1.00 27.84 O +ANISOU 505 O ASN A 771 3268 3884 3424 2 164 -99 O +ATOM 506 CB ASN A 771 2.977 211.417 27.259 1.00 25.58 C +ANISOU 506 CB ASN A 771 3077 3432 3210 105 228 -191 C +ATOM 507 CG ASN A 771 3.880 212.235 26.368 1.00 28.24 C +ANISOU 507 CG ASN A 771 3440 3681 3608 153 209 -168 C +ATOM 508 OD1 ASN A 771 4.433 211.726 25.415 1.00 28.45 O +ANISOU 508 OD1 ASN A 771 3499 3693 3616 134 167 -121 O +ATOM 509 ND2 ASN A 771 4.022 213.500 26.671 1.00 28.45 N +ANISOU 509 ND2 ASN A 771 3456 3642 3710 211 249 -203 N +ATOM 510 N PRO A 772 1.267 211.783 24.443 1.00 26.41 N +ANISOU 510 N PRO A 772 3028 3650 3354 167 161 -45 N +ATOM 511 CA PRO A 772 1.012 211.285 23.067 1.00 28.61 C +ANISOU 511 CA PRO A 772 3277 4006 3587 136 105 12 C +ATOM 512 C PRO A 772 2.027 210.237 22.562 1.00 27.13 C +ANISOU 512 C PRO A 772 3188 3776 3344 55 75 -4 C +ATOM 513 O PRO A 772 1.756 209.583 21.570 1.00 29.48 O +ANISOU 513 O PRO A 772 3468 4146 3583 -1 39 8 O +ATOM 514 CB PRO A 772 1.124 212.551 22.219 1.00 30.42 C +ANISOU 514 CB PRO A 772 3466 4211 3881 247 100 90 C +ATOM 515 CG PRO A 772 0.675 213.643 23.163 1.00 32.38 C +ANISOU 515 CG PRO A 772 3675 4407 4220 339 165 73 C +ATOM 516 CD PRO A 772 1.247 213.252 24.515 1.00 29.20 C +ANISOU 516 CD PRO A 772 3351 3938 3804 280 200 -30 C +ATOM 517 N HIS A 773 3.171 210.079 23.230 1.00 26.64 N +ANISOU 517 N HIS A 773 3218 3608 3293 50 94 -37 N +ATOM 518 CA HIS A 773 4.204 209.150 22.793 1.00 26.23 C +ANISOU 518 CA HIS A 773 3255 3508 3204 0 79 -44 C +ATOM 519 C HIS A 773 4.481 208.025 23.793 1.00 26.58 C +ANISOU 519 C HIS A 773 3363 3518 3216 -58 107 -78 C +ATOM 520 O HIS A 773 5.521 207.383 23.747 1.00 26.68 O +ANISOU 520 O HIS A 773 3452 3468 3216 -68 111 -76 O +ATOM 521 CB HIS A 773 5.470 209.902 22.400 1.00 25.24 C +ANISOU 521 CB HIS A 773 3168 3305 3115 58 73 -23 C +ATOM 522 CG HIS A 773 5.245 210.856 21.273 1.00 26.10 C +ANISOU 522 CG HIS A 773 3225 3441 3250 113 53 37 C +ATOM 523 ND1 HIS A 773 4.890 210.431 20.014 1.00 27.06 N +ANISOU 523 ND1 HIS A 773 3320 3646 3313 86 19 70 N +ATOM 524 CD2 HIS A 773 5.198 212.210 21.236 1.00 27.79 C +ANISOU 524 CD2 HIS A 773 3400 3617 3540 193 70 76 C +ATOM 525 CE1 HIS A 773 4.723 211.489 19.231 1.00 27.32 C +ANISOU 525 CE1 HIS A 773 3298 3706 3374 157 8 148 C +ATOM 526 NE2 HIS A 773 4.891 212.566 19.948 1.00 27.63 N +ANISOU 526 NE2 HIS A 773 3333 3657 3506 226 44 158 N +ATOM 527 N VAL A 774 3.516 207.766 24.665 1.00 25.84 N +ANISOU 527 N VAL A 774 3233 3475 3110 -91 132 -95 N +ATOM 528 CA VAL A 774 3.552 206.631 25.565 1.00 26.36 C +ANISOU 528 CA VAL A 774 3350 3521 3141 -153 167 -102 C +ATOM 529 C VAL A 774 2.198 205.946 25.489 1.00 26.74 C +ANISOU 529 C VAL A 774 3348 3644 3166 -240 182 -112 C +ATOM 530 O VAL A 774 1.177 206.646 25.403 1.00 27.55 O +ANISOU 530 O VAL A 774 3351 3839 3277 -224 174 -116 O +ATOM 531 CB VAL A 774 3.834 207.152 27.006 1.00 30.01 C +ANISOU 531 CB VAL A 774 3811 3989 3601 -112 193 -112 C +ATOM 532 CG1 VAL A 774 3.610 206.041 27.977 1.00 37.04 C +ANISOU 532 CG1 VAL A 774 4734 4891 4445 -171 234 -94 C +ATOM 533 CG2 VAL A 774 5.265 207.675 27.093 1.00 29.82 C +ANISOU 533 CG2 VAL A 774 3831 3906 3590 -55 177 -112 C +ATOM 534 N CYS A 775 2.159 204.606 25.520 1.00 26.69 N +ANISOU 534 N CYS A 775 3404 3598 3137 -332 212 -113 N +ATOM 535 CA CYS A 775 0.882 203.885 25.538 1.00 30.23 C +ANISOU 535 CA CYS A 775 3805 4115 3566 -444 237 -132 C +ATOM 536 C CYS A 775 0.257 203.883 26.948 1.00 32.88 C +ANISOU 536 C CYS A 775 4106 4497 3890 -453 284 -114 C +ATOM 537 O CYS A 775 0.915 203.498 27.901 1.00 37.87 O +ANISOU 537 O CYS A 775 4807 5068 4512 -434 319 -81 O +ATOM 538 CB CYS A 775 1.099 202.445 25.133 1.00 32.42 C +ANISOU 538 CB CYS A 775 4176 4301 3839 -550 275 -147 C +ATOM 539 SG CYS A 775 1.592 202.379 23.384 1.00 39.25 S +ANISOU 539 SG CYS A 775 5066 5151 4693 -564 230 -195 S +ATOM 540 N ARG A 776 -1.001 204.232 27.082 1.00 34.73 N +ANISOU 540 N ARG A 776 4226 4853 4115 -483 289 -129 N +ATOM 541 CA ARG A 776 -1.612 204.187 28.391 1.00 39.39 C +ANISOU 541 CA ARG A 776 4779 5500 4685 -497 343 -117 C +ATOM 542 C ARG A 776 -2.692 203.147 28.481 1.00 36.02 C +ANISOU 542 C ARG A 776 4317 5127 4239 -641 387 -117 C +ATOM 543 O ARG A 776 -3.196 202.668 27.490 1.00 32.02 O +ANISOU 543 O ARG A 776 3782 4648 3734 -734 367 -146 O +ATOM 544 CB ARG A 776 -2.191 205.531 28.781 1.00 46.74 C +ANISOU 544 CB ARG A 776 5600 6531 5628 -399 339 -135 C +ATOM 545 CG ARG A 776 -3.461 205.951 28.022 1.00 55.33 C +ANISOU 545 CG ARG A 776 6544 7750 6726 -410 318 -144 C +ATOM 546 CD ARG A 776 -4.231 207.026 28.794 1.00 62.66 C +ANISOU 546 CD ARG A 776 7361 8774 7671 -318 354 -155 C +ATOM 547 NE ARG A 776 -3.668 207.185 30.133 1.00 69.13 N +ANISOU 547 NE ARG A 776 8247 9546 8472 -283 406 -174 N +ATOM 548 CZ ARG A 776 -4.245 207.839 31.126 1.00 75.34 C +ANISOU 548 CZ ARG A 776 8965 10407 9251 -232 464 -204 C +ATOM 549 NH1 ARG A 776 -5.397 208.470 30.938 1.00 83.47 N +ANISOU 549 NH1 ARG A 776 9855 11547 10310 -186 483 -210 N +ATOM 550 NH2 ARG A 776 -3.622 207.900 32.301 1.00 74.91 N +ANISOU 550 NH2 ARG A 776 8976 10329 9155 -218 504 -230 N +ATOM 551 N LEU A 777 -3.052 202.826 29.707 1.00 35.98 N +ANISOU 551 N LEU A 777 4308 5153 4209 -670 450 -89 N +ATOM 552 CA LEU A 777 -3.994 201.766 29.959 1.00 36.37 C +ANISOU 552 CA LEU A 777 4336 5237 4245 -821 510 -78 C +ATOM 553 C LEU A 777 -5.391 202.329 29.771 1.00 37.61 C +ANISOU 553 C LEU A 777 4320 5577 4392 -851 502 -112 C +ATOM 554 O LEU A 777 -5.670 203.402 30.294 1.00 36.93 O +ANISOU 554 O LEU A 777 4149 5581 4299 -740 500 -117 O +ATOM 555 CB LEU A 777 -3.830 201.294 31.411 1.00 36.28 C +ANISOU 555 CB LEU A 777 4376 5209 4198 -826 586 -12 C +ATOM 556 CG LEU A 777 -4.548 200.002 31.735 1.00 37.14 C +ANISOU 556 CG LEU A 777 4503 5301 4306 -990 668 25 C +ATOM 557 CD1 LEU A 777 -3.846 198.849 31.042 1.00 38.73 C +ANISOU 557 CD1 LEU A 777 4845 5313 4556 -1062 686 39 C +ATOM 558 CD2 LEU A 777 -4.611 199.769 33.227 1.00 39.92 C +ANISOU 558 CD2 LEU A 777 4868 5694 4605 -983 743 105 C +ATOM 559 N LEU A 778 -6.263 201.634 29.040 1.00 34.80 N +ANISOU 559 N LEU A 778 3905 5282 4035 -998 502 -141 N +ATOM 560 CA LEU A 778 -7.661 201.977 29.053 1.00 35.72 C +ANISOU 560 CA LEU A 778 3839 5600 4132 -1043 507 -157 C +ATOM 561 C LEU A 778 -8.349 201.381 30.324 1.00 35.67 C +ANISOU 561 C LEU A 778 3808 5641 4102 -1132 605 -124 C +ATOM 562 O LEU A 778 -9.218 202.022 30.954 1.00 35.91 O +ANISOU 562 O LEU A 778 3701 5830 4113 -1089 632 -119 O +ATOM 563 CB LEU A 778 -8.350 201.482 27.798 1.00 38.35 C +ANISOU 563 CB LEU A 778 4095 6021 4453 -1183 464 -207 C +ATOM 564 CG LEU A 778 -7.913 202.138 26.483 1.00 41.80 C +ANISOU 564 CG LEU A 778 4516 6476 4889 -1101 367 -229 C +ATOM 565 CD1 LEU A 778 -8.587 201.473 25.306 1.00 42.70 C +ANISOU 565 CD1 LEU A 778 4558 6702 4964 -1273 330 -290 C +ATOM 566 CD2 LEU A 778 -8.238 203.632 26.534 1.00 44.53 C +ANISOU 566 CD2 LEU A 778 4730 6945 5244 -912 328 -192 C +ATOM 567 N GLY A 779 -7.980 200.154 30.675 1.00 33.46 N +ANISOU 567 N GLY A 779 3659 5225 3829 -1253 667 -95 N +ATOM 568 CA GLY A 779 -8.468 199.553 31.908 1.00 36.00 C +ANISOU 568 CA GLY A 779 3978 5572 4125 -1330 767 -37 C +ATOM 569 C GLY A 779 -8.005 198.116 32.048 1.00 37.04 C +ANISOU 569 C GLY A 779 4269 5516 4287 -1463 840 10 C +ATOM 570 O GLY A 779 -7.225 197.634 31.219 1.00 36.60 O +ANISOU 570 O GLY A 779 4331 5300 4273 -1478 815 -12 O +ATOM 571 N ILE A 780 -8.446 197.439 33.093 1.00 35.88 N +ANISOU 571 N ILE A 780 4131 5378 4121 -1550 941 84 N +ATOM 572 CA ILE A 780 -8.080 196.032 33.243 1.00 37.97 C +ANISOU 572 CA ILE A 780 4551 5444 4433 -1676 1032 149 C +ATOM 573 C ILE A 780 -9.351 195.246 33.363 1.00 38.32 C +ANISOU 573 C ILE A 780 4516 5556 4489 -1899 1118 142 C +ATOM 574 O ILE A 780 -10.374 195.788 33.751 1.00 37.12 O +ANISOU 574 O ILE A 780 4196 5620 4288 -1921 1121 126 O +ATOM 575 CB ILE A 780 -7.183 195.736 34.474 1.00 39.30 C +ANISOU 575 CB ILE A 780 4841 5518 4572 -1573 1093 291 C +ATOM 576 CG1 ILE A 780 -7.865 196.178 35.756 1.00 41.42 C +ANISOU 576 CG1 ILE A 780 5003 5980 4754 -1551 1141 348 C +ATOM 577 CG2 ILE A 780 -5.835 196.398 34.324 1.00 40.10 C +ANISOU 577 CG2 ILE A 780 5021 5549 4664 -1376 1010 294 C +ATOM 578 CD1 ILE A 780 -7.171 195.650 37.008 1.00 43.54 C +ANISOU 578 CD1 ILE A 780 5379 6189 4973 -1496 1217 506 C +ATOM 579 N CYS A 781 -9.286 193.967 33.011 1.00 40.17 N +ANISOU 579 N CYS A 781 4868 5599 4794 -2067 1197 148 N +ATOM 580 CA ACYS A 781 -10.400 193.068 33.173 0.70 42.90 C +ANISOU 580 CA ACYS A 781 5163 5971 5164 -2310 1300 145 C +ATOM 581 CA BCYS A 781 -10.406 193.050 33.184 0.30 44.11 C +ANISOU 581 CA BCYS A 781 5317 6123 5318 -2313 1302 147 C +ATOM 582 C CYS A 781 -9.944 191.935 34.086 1.00 44.56 C +ANISOU 582 C CYS A 781 5543 5965 5421 -2356 1441 295 C +ATOM 583 O CYS A 781 -8.865 191.378 33.867 1.00 45.74 O +ANISOU 583 O CYS A 781 5872 5872 5632 -2293 1464 337 O +ATOM 584 CB ACYS A 781 -10.832 192.489 31.826 0.70 44.07 C +ANISOU 584 CB ACYS A 781 5301 6075 5366 -2511 1285 -2 C +ATOM 585 CB BCYS A 781 -10.854 192.452 31.856 0.30 46.48 C +ANISOU 585 CB BCYS A 781 5608 6378 5673 -2517 1290 0 C +ATOM 586 SG ACYS A 781 -12.254 191.414 31.988 0.70 46.71 S +ANISOU 586 SG ACYS A 781 5554 6459 5732 -2846 1412 -29 S +ATOM 587 SG BCYS A 781 -11.479 193.690 30.721 0.30 49.23 S +ANISOU 587 SG BCYS A 781 5737 7011 5954 -2473 1126 -145 S +ATOM 588 N LEU A 782 -10.737 191.650 35.091 1.00 45.26 N +ANISOU 588 N LEU A 782 5567 6151 5479 -2446 1537 386 N +ATOM 589 CA LEU A 782 -10.399 190.659 36.107 1.00 50.01 C +ANISOU 589 CA LEU A 782 6309 6584 6108 -2475 1679 567 C +ATOM 590 C LEU A 782 -11.080 189.357 35.745 1.00 54.93 C +ANISOU 590 C LEU A 782 6987 7045 6837 -2758 1810 547 C +ATOM 591 O LEU A 782 -12.190 189.101 36.153 1.00 59.25 O +ANISOU 591 O LEU A 782 7423 7719 7369 -2933 1885 557 O +ATOM 592 CB LEU A 782 -10.884 191.109 37.476 1.00 49.59 C +ANISOU 592 CB LEU A 782 6150 6746 5942 -2417 1720 686 C +ATOM 593 CG LEU A 782 -10.336 192.450 37.943 1.00 49.15 C +ANISOU 593 CG LEU A 782 6028 6869 5775 -2163 1607 680 C +ATOM 594 CD1 LEU A 782 -10.939 192.741 39.305 1.00 53.27 C +ANISOU 594 CD1 LEU A 782 6449 7607 6182 -2146 1676 779 C +ATOM 595 CD2 LEU A 782 -8.825 192.460 37.988 1.00 47.87 C +ANISOU 595 CD2 LEU A 782 6030 6537 5620 -1973 1563 752 C +ATOM 596 N THR A 783 -10.381 188.549 34.968 1.00 62.72 N +ANISOU 596 N THR A 783 8146 7747 7935 -2801 1845 511 N +ATOM 597 CA THR A 783 -10.853 187.212 34.583 1.00 71.51 C +ANISOU 597 CA THR A 783 9356 8639 9175 -3074 1992 477 C +ATOM 598 C THR A 783 -9.984 186.202 35.316 1.00 77.27 C +ANISOU 598 C THR A 783 10306 9060 9993 -3010 2140 685 C +ATOM 599 O THR A 783 -9.186 186.603 36.176 1.00 80.10 O +ANISOU 599 O THR A 783 10700 9448 10284 -2771 2113 853 O +ATOM 600 CB THR A 783 -10.726 187.015 33.051 1.00 72.46 C +ANISOU 600 CB THR A 783 9513 8655 9360 -3182 1937 255 C +ATOM 601 OG1 THR A 783 -9.572 187.719 32.565 1.00 67.10 O +ANISOU 601 OG1 THR A 783 8891 7948 8654 -2931 1812 231 O +ATOM 602 CG2 THR A 783 -11.950 187.565 32.364 1.00 74.15 C +ANISOU 602 CG2 THR A 783 9501 9164 9507 -3352 1848 73 C +ATOM 603 N SER A 784 -10.139 184.913 34.989 1.00 80.86 N +ANISOU 603 N SER A 784 10902 9225 10594 -3221 2299 675 N +ATOM 604 CA SER A 784 -9.215 183.868 35.433 1.00 81.95 C +ANISOU 604 CA SER A 784 11273 9010 10853 -3146 2451 863 C +ATOM 605 C SER A 784 -7.798 184.422 35.509 1.00 80.32 C +ANISOU 605 C SER A 784 11141 8770 10605 -2815 2350 950 C +ATOM 606 O SER A 784 -7.140 184.288 36.540 1.00 80.96 O +ANISOU 606 O SER A 784 11288 8812 10659 -2636 2397 1191 O +ATOM 607 CB SER A 784 -9.265 182.669 34.472 1.00 84.86 C +ANISOU 607 CB SER A 784 11801 9035 11404 -3372 2588 731 C +ATOM 608 N THR A 785 -7.357 185.038 34.403 1.00 76.18 N +ANISOU 608 N THR A 785 10595 8281 10066 -2746 2212 756 N +ATOM 609 CA THR A 785 -6.117 185.808 34.320 1.00 72.59 C +ANISOU 609 CA THR A 785 10164 7862 9552 -2452 2084 791 C +ATOM 610 C THR A 785 -6.479 187.301 34.145 1.00 68.91 C +ANISOU 610 C THR A 785 9491 7756 8934 -2375 1889 669 C +ATOM 611 O THR A 785 -7.465 187.641 33.478 1.00 69.00 O +ANISOU 611 O THR A 785 9371 7924 8920 -2541 1835 493 O +ATOM 612 CB THR A 785 -5.248 185.370 33.120 1.00 68.62 C +ANISOU 612 CB THR A 785 9806 7106 9160 -2423 2090 666 C +ATOM 613 N VAL A 786 -5.687 188.182 34.753 1.00 62.68 N +ANISOU 613 N VAL A 786 8668 7100 8046 -2124 1791 768 N +ATOM 614 CA VAL A 786 -5.849 189.615 34.569 1.00 56.84 C +ANISOU 614 CA VAL A 786 7762 6647 7186 -2023 1622 658 C +ATOM 615 C VAL A 786 -5.472 190.040 33.131 1.00 55.85 C +ANISOU 615 C VAL A 786 7638 6492 7091 -2004 1514 466 C +ATOM 616 O VAL A 786 -4.405 189.670 32.634 1.00 58.44 O +ANISOU 616 O VAL A 786 8101 6619 7483 -1911 1522 474 O +ATOM 617 CB VAL A 786 -4.984 190.388 35.571 1.00 55.98 C +ANISOU 617 CB VAL A 786 7638 6659 6972 -1776 1559 796 C +ATOM 618 CG1 VAL A 786 -4.957 191.881 35.242 1.00 54.72 C +ANISOU 618 CG1 VAL A 786 7338 6733 6720 -1657 1396 666 C +ATOM 619 CG2 VAL A 786 -5.471 190.124 36.998 1.00 59.26 C +ANISOU 619 CG2 VAL A 786 8021 7176 7318 -1797 1652 973 C +ATOM 620 N GLN A 787 -6.343 190.840 32.500 1.00 51.61 N +ANISOU 620 N GLN A 787 6938 6170 6499 -2080 1417 311 N +ATOM 621 CA GLN A 787 -6.120 191.380 31.156 1.00 48.74 C +ANISOU 621 CA GLN A 787 6543 5839 6135 -2062 1304 143 C +ATOM 622 C GLN A 787 -5.885 192.875 31.246 1.00 46.42 C +ANISOU 622 C GLN A 787 6125 5764 5746 -1865 1160 131 C +ATOM 623 O GLN A 787 -6.628 193.564 31.964 1.00 43.82 O +ANISOU 623 O GLN A 787 5658 5643 5348 -1848 1139 159 O +ATOM 624 CB GLN A 787 -7.355 191.146 30.292 1.00 53.36 C +ANISOU 624 CB GLN A 787 7021 6527 6726 -2306 1302 -16 C +ATOM 625 CG GLN A 787 -7.602 189.700 29.911 1.00 56.17 C +ANISOU 625 CG GLN A 787 7503 6651 7188 -2541 1443 -66 C +ATOM 626 CD GLN A 787 -8.988 189.461 29.354 1.00 60.52 C +ANISOU 626 CD GLN A 787 7914 7356 7723 -2816 1451 -210 C +ATOM 627 OE1 GLN A 787 -9.988 189.717 30.009 1.00 68.56 O +ANISOU 627 OE1 GLN A 787 8785 8570 8693 -2889 1459 -170 O +ATOM 628 NE2 GLN A 787 -9.053 188.910 28.158 1.00 62.95 N +ANISOU 628 NE2 GLN A 787 8267 7583 8068 -2980 1458 -382 N +ATOM 629 N LEU A 788 -4.835 193.353 30.568 1.00 43.61 N +ANISOU 629 N LEU A 788 5825 5348 5394 -1717 1079 95 N +ATOM 630 CA LEU A 788 -4.621 194.773 30.330 1.00 41.72 C +ANISOU 630 CA LEU A 788 5476 5286 5087 -1559 946 53 C +ATOM 631 C LEU A 788 -5.186 195.158 28.948 1.00 41.84 C +ANISOU 631 C LEU A 788 5398 5403 5093 -1641 864 -97 C +ATOM 632 O LEU A 788 -4.937 194.443 27.981 1.00 40.92 O +ANISOU 632 O LEU A 788 5365 5162 5020 -1735 883 -176 O +ATOM 633 CB LEU A 788 -3.148 195.101 30.385 1.00 42.60 C +ANISOU 633 CB LEU A 788 5690 5292 5203 -1361 906 109 C +ATOM 634 CG LEU A 788 -2.253 194.626 31.513 1.00 46.28 C +ANISOU 634 CG LEU A 788 6263 5647 5671 -1257 971 265 C +ATOM 635 CD1 LEU A 788 -0.878 195.275 31.431 1.00 45.12 C +ANISOU 635 CD1 LEU A 788 6159 5475 5507 -1059 897 292 C +ATOM 636 CD2 LEU A 788 -2.890 194.910 32.848 1.00 50.91 C +ANISOU 636 CD2 LEU A 788 6769 6386 6188 -1254 1002 352 C +ATOM 637 N ILE A 789 -5.949 196.261 28.871 1.00 38.64 N +ANISOU 637 N ILE A 789 4819 5232 4629 -1601 783 -133 N +ATOM 638 CA ILE A 789 -6.658 196.686 27.652 1.00 38.35 C +ANISOU 638 CA ILE A 789 4655 5350 4564 -1673 703 -245 C +ATOM 639 C ILE A 789 -6.097 198.061 27.315 1.00 36.09 C +ANISOU 639 C ILE A 789 4315 5145 4249 -1463 595 -238 C +ATOM 640 O ILE A 789 -5.941 198.904 28.200 1.00 34.91 O +ANISOU 640 O ILE A 789 4130 5046 4086 -1318 585 -175 O +ATOM 641 CB ILE A 789 -8.192 196.718 27.831 1.00 41.17 C +ANISOU 641 CB ILE A 789 4831 5923 4888 -1815 716 -273 C +ATOM 642 CG1 ILE A 789 -8.794 195.292 27.885 1.00 45.29 C +ANISOU 642 CG1 ILE A 789 5403 6358 5447 -2071 825 -307 C +ATOM 643 CG2 ILE A 789 -8.882 197.388 26.646 1.00 40.39 C +ANISOU 643 CG2 ILE A 789 4566 6039 4740 -1839 613 -359 C +ATOM 644 CD1 ILE A 789 -8.769 194.680 29.249 1.00 48.45 C +ANISOU 644 CD1 ILE A 789 5880 6649 5877 -2087 941 -192 C +ATOM 645 N THR A 790 -5.662 198.243 26.068 1.00 35.03 N +ANISOU 645 N THR A 790 4198 5003 4109 -1449 527 -303 N +ATOM 646 CA THR A 790 -4.991 199.478 25.651 1.00 32.27 C +ANISOU 646 CA THR A 790 3820 4695 3744 -1258 437 -286 C +ATOM 647 C THR A 790 -5.400 199.747 24.205 1.00 32.29 C +ANISOU 647 C THR A 790 3732 4832 3704 -1309 358 -359 C +ATOM 648 O THR A 790 -5.951 198.894 23.550 1.00 30.83 O +ANISOU 648 O THR A 790 3535 4681 3498 -1490 374 -438 O +ATOM 649 CB THR A 790 -3.467 199.362 25.780 1.00 32.85 C +ANISOU 649 CB THR A 790 4060 4566 3852 -1141 448 -249 C +ATOM 650 OG1 THR A 790 -2.865 200.669 25.653 1.00 35.10 O +ANISOU 650 OG1 THR A 790 4309 4895 4129 -961 374 -222 O +ATOM 651 CG2 THR A 790 -2.869 198.371 24.757 1.00 32.76 C +ANISOU 651 CG2 THR A 790 4170 4416 3860 -1232 469 -315 C +ATOM 652 N GLN A 791 -5.144 200.947 23.732 1.00 30.72 N +ANISOU 652 N GLN A 791 3465 4717 3488 -1154 279 -330 N +ATOM 653 CA GLN A 791 -5.476 201.351 22.369 1.00 32.47 C +ANISOU 653 CA GLN A 791 3588 5094 3653 -1170 197 -367 C +ATOM 654 C GLN A 791 -4.766 200.433 21.394 1.00 31.62 C +ANISOU 654 C GLN A 791 3606 4879 3527 -1273 203 -448 C +ATOM 655 O GLN A 791 -3.582 200.192 21.573 1.00 31.97 O +ANISOU 655 O GLN A 791 3805 4724 3615 -1204 236 -435 O +ATOM 656 CB GLN A 791 -4.931 202.778 22.170 1.00 33.94 C +ANISOU 656 CB GLN A 791 3738 5304 3851 -954 135 -293 C +ATOM 657 CG GLN A 791 -4.919 203.311 20.732 1.00 38.73 C +ANISOU 657 CG GLN A 791 4273 6042 4399 -924 51 -293 C +ATOM 658 CD GLN A 791 -4.234 204.681 20.642 1.00 40.48 C +ANISOU 658 CD GLN A 791 4490 6231 4657 -711 14 -205 C +ATOM 659 OE1 GLN A 791 -3.258 204.953 21.349 1.00 39.73 O +ANISOU 659 OE1 GLN A 791 4508 5961 4624 -615 48 -183 O +ATOM 660 NE2 GLN A 791 -4.757 205.547 19.791 1.00 40.94 N +ANISOU 660 NE2 GLN A 791 4411 6465 4678 -639 -48 -149 N +ATOM 661 N LEU A 792 -5.431 200.018 20.339 1.00 32.89 N +ANISOU 661 N LEU A 792 3691 5186 3616 -1423 170 -532 N +ATOM 662 CA LEU A 792 -4.793 199.229 19.286 1.00 35.54 C +ANISOU 662 CA LEU A 792 4138 5444 3921 -1523 179 -633 C +ATOM 663 C LEU A 792 -3.857 200.123 18.468 1.00 36.50 C +ANISOU 663 C LEU A 792 4276 5578 4012 -1358 111 -591 C +ATOM 664 O LEU A 792 -4.231 201.209 18.059 1.00 34.98 O +ANISOU 664 O LEU A 792 3946 5571 3774 -1256 29 -522 O +ATOM 665 CB LEU A 792 -5.846 198.566 18.401 1.00 38.02 C +ANISOU 665 CB LEU A 792 4349 5948 4147 -1754 162 -755 C +ATOM 666 CG LEU A 792 -5.337 197.689 17.261 1.00 40.43 C +ANISOU 666 CG LEU A 792 4761 6197 4404 -1892 183 -899 C +ATOM 667 CD1 LEU A 792 -4.592 196.445 17.770 1.00 40.46 C +ANISOU 667 CD1 LEU A 792 4984 5875 4511 -1967 316 -960 C +ATOM 668 CD2 LEU A 792 -6.524 197.315 16.419 1.00 43.15 C +ANISOU 668 CD2 LEU A 792 4954 6807 4635 -2116 142 -1016 C +ATOM 669 N MET A 793 -2.626 199.671 18.305 1.00 33.24 N +ANISOU 669 N MET A 793 4032 4959 3636 -1320 154 -616 N +ATOM 670 CA MET A 793 -1.649 200.333 17.498 1.00 33.33 C +ANISOU 670 CA MET A 793 4075 4968 3620 -1191 107 -587 C +ATOM 671 C MET A 793 -1.556 199.538 16.206 1.00 35.85 C +ANISOU 671 C MET A 793 4432 5332 3855 -1337 113 -720 C +ATOM 672 O MET A 793 -0.799 198.580 16.119 1.00 37.13 O +ANISOU 672 O MET A 793 4749 5302 4056 -1389 193 -799 O +ATOM 673 CB MET A 793 -0.341 200.358 18.255 1.00 32.55 C +ANISOU 673 CB MET A 793 4120 4632 3612 -1053 158 -527 C +ATOM 674 CG MET A 793 -0.482 201.113 19.568 1.00 32.77 C +ANISOU 674 CG MET A 793 4107 4639 3702 -934 156 -421 C +ATOM 675 SD MET A 793 -0.700 202.896 19.383 1.00 34.58 S +ANISOU 675 SD MET A 793 4192 5029 3918 -764 66 -321 S +ATOM 676 CE MET A 793 0.985 203.334 19.238 1.00 35.00 C +ANISOU 676 CE MET A 793 4364 4922 4010 -623 69 -280 C +ATOM 677 N PRO A 794 -2.347 199.923 15.194 1.00 39.96 N +ANISOU 677 N PRO A 794 4806 6120 4256 -1402 32 -748 N +ATOM 678 CA PRO A 794 -2.590 198.970 14.105 1.00 41.48 C +ANISOU 678 CA PRO A 794 5014 6395 4349 -1606 46 -914 C +ATOM 679 C PRO A 794 -1.394 198.481 13.313 1.00 38.99 C +ANISOU 679 C PRO A 794 4851 5945 4017 -1600 93 -998 C +ATOM 680 O PRO A 794 -1.470 197.400 12.754 1.00 41.16 O +ANISOU 680 O PRO A 794 5198 6185 4256 -1783 154 -1166 O +ATOM 681 CB PRO A 794 -3.557 199.714 13.178 1.00 44.41 C +ANISOU 681 CB PRO A 794 5173 7126 4573 -1635 -68 -890 C +ATOM 682 CG PRO A 794 -4.083 200.858 13.967 1.00 44.09 C +ANISOU 682 CG PRO A 794 5002 7163 4584 -1470 -120 -718 C +ATOM 683 CD PRO A 794 -3.088 201.187 15.010 1.00 40.56 C +ANISOU 683 CD PRO A 794 4690 6439 4278 -1298 -66 -631 C +ATOM 684 N PHE A 795 -0.339 199.267 13.225 1.00 37.83 N +ANISOU 684 N PHE A 795 4747 5731 3894 -1404 72 -893 N +ATOM 685 CA PHE A 795 0.851 198.896 12.428 1.00 37.78 C +ANISOU 685 CA PHE A 795 4868 5620 3865 -1378 117 -961 C +ATOM 686 C PHE A 795 1.838 198.066 13.234 1.00 39.24 C +ANISOU 686 C PHE A 795 5238 5480 4190 -1335 235 -979 C +ATOM 687 O PHE A 795 2.845 197.622 12.721 1.00 40.32 O +ANISOU 687 O PHE A 795 5487 5498 4332 -1307 295 -1038 O +ATOM 688 CB PHE A 795 1.540 200.146 11.829 1.00 37.67 C +ANISOU 688 CB PHE A 795 4798 5712 3801 -1199 43 -833 C +ATOM 689 CG PHE A 795 0.710 200.851 10.790 1.00 39.26 C +ANISOU 689 CG PHE A 795 4828 6241 3846 -1233 -60 -806 C +ATOM 690 CD1 PHE A 795 -0.272 201.763 11.175 1.00 40.14 C +ANISOU 690 CD1 PHE A 795 4778 6516 3955 -1175 -139 -681 C +ATOM 691 CD2 PHE A 795 0.839 200.531 9.437 1.00 44.27 C +ANISOU 691 CD2 PHE A 795 5454 7039 4326 -1329 -73 -910 C +ATOM 692 CE1 PHE A 795 -1.091 202.370 10.233 1.00 43.18 C +ANISOU 692 CE1 PHE A 795 4989 7221 4194 -1195 -233 -634 C +ATOM 693 CE2 PHE A 795 0.053 201.145 8.476 1.00 45.46 C +ANISOU 693 CE2 PHE A 795 5433 7527 4312 -1361 -174 -871 C +ATOM 694 CZ PHE A 795 -0.933 202.061 8.876 1.00 46.57 C +ANISOU 694 CZ PHE A 795 5405 7832 4458 -1289 -257 -722 C +ATOM 695 N GLY A 796 1.579 197.872 14.518 1.00 37.77 N +ANISOU 695 N GLY A 796 5076 5159 4115 -1316 271 -916 N +ATOM 696 CA GLY A 796 2.399 196.949 15.309 1.00 36.23 C +ANISOU 696 CA GLY A 796 5047 4673 4045 -1285 388 -919 C +ATOM 697 C GLY A 796 3.696 197.567 15.765 1.00 33.94 C +ANISOU 697 C GLY A 796 4808 4272 3817 -1068 384 -792 C +ATOM 698 O GLY A 796 3.796 198.782 15.942 1.00 34.05 O +ANISOU 698 O GLY A 796 4729 4395 3813 -944 299 -682 O +HETATM 699 N CSX A 797 4.702 196.732 15.997 1.00 33.84 N +ANISOU 699 N CSX A 797 4937 4035 3883 -1021 485 -806 N +HETATM 700 CA CSX A 797 5.927 197.219 16.594 1.00 33.61 C +ANISOU 700 CA CSX A 797 4943 3911 3915 -826 486 -680 C +HETATM 701 CB CSX A 797 6.611 196.143 17.446 1.00 38.81 C +ANISOU 701 CB CSX A 797 5736 4323 4687 -781 604 -648 C +HETATM 702 SG CSX A 797 7.375 194.927 16.540 1.00 46.43 S +ANISOU 702 SG CSX A 797 6842 5114 5683 -812 732 -772 S +HETATM 703 C CSX A 797 6.832 197.794 15.535 1.00 33.18 C +ANISOU 703 C CSX A 797 4877 3927 3801 -744 453 -691 C +HETATM 704 O CSX A 797 6.813 197.370 14.369 1.00 32.56 O +ANISOU 704 O CSX A 797 4823 3895 3654 -830 477 -814 O +HETATM 705 OD CSX A 797 7.493 193.830 17.549 1.00 57.35 O +ANISOU 705 OD CSX A 797 8338 6264 7189 -804 851 -723 O +ATOM 706 N LEU A 798 7.593 198.789 15.943 1.00 30.84 N +ANISOU 706 N LEU A 798 4539 3653 3524 -590 401 -569 N +ATOM 707 CA LEU A 798 8.413 199.552 15.034 1.00 31.65 C +ANISOU 707 CA LEU A 798 4609 3841 3573 -509 363 -550 C +ATOM 708 C LEU A 798 9.530 198.709 14.450 1.00 32.35 C +ANISOU 708 C LEU A 798 4803 3809 3678 -475 457 -613 C +ATOM 709 O LEU A 798 9.854 198.866 13.258 1.00 30.90 O +ANISOU 709 O LEU A 798 4610 3717 3413 -489 453 -672 O +ATOM 710 CB LEU A 798 8.943 200.798 15.726 1.00 31.47 C +ANISOU 710 CB LEU A 798 4520 3850 3586 -372 299 -413 C +ATOM 711 CG LEU A 798 9.726 201.797 14.871 1.00 29.56 C +ANISOU 711 CG LEU A 798 4230 3700 3299 -294 257 -368 C +ATOM 712 CD1 LEU A 798 8.968 202.257 13.631 1.00 31.04 C +ANISOU 712 CD1 LEU A 798 4346 4070 3377 -364 203 -401 C +ATOM 713 CD2 LEU A 798 10.114 202.967 15.764 1.00 31.97 C +ANISOU 713 CD2 LEU A 798 4478 4006 3661 -189 208 -251 C +ATOM 714 N LEU A 799 10.050 197.751 15.224 1.00 32.08 N +ANISOU 714 N LEU A 799 4867 3580 3742 -435 550 -602 N +ATOM 715 CA LEU A 799 11.080 196.860 14.707 1.00 33.53 C +ANISOU 715 CA LEU A 799 5152 3629 3958 -388 660 -660 C +ATOM 716 C LEU A 799 10.609 196.090 13.462 1.00 33.53 C +ANISOU 716 C LEU A 799 5205 3642 3890 -534 719 -846 C +ATOM 717 O LEU A 799 11.248 196.110 12.428 1.00 33.55 O +ANISOU 717 O LEU A 799 5220 3693 3833 -514 744 -912 O +ATOM 718 CB LEU A 799 11.566 195.882 15.787 1.00 33.03 C +ANISOU 718 CB LEU A 799 5183 3347 4019 -315 760 -599 C +ATOM 719 CG LEU A 799 12.672 194.922 15.303 1.00 34.30 C +ANISOU 719 CG LEU A 799 5448 3348 4235 -236 893 -645 C +ATOM 720 CD1 LEU A 799 13.907 195.680 14.824 1.00 34.93 C +ANISOU 720 CD1 LEU A 799 5469 3520 4280 -97 861 -590 C +ATOM 721 CD2 LEU A 799 13.021 193.977 16.434 1.00 37.90 C +ANISOU 721 CD2 LEU A 799 5987 3594 4818 -153 992 -551 C +ATOM 722 N ASP A 800 9.480 195.406 13.572 1.00 36.29 N +ANISOU 722 N ASP A 800 5584 3962 4243 -694 744 -938 N +ATOM 723 CA ASP A 800 8.879 194.715 12.433 1.00 39.61 C +ANISOU 723 CA ASP A 800 6039 4426 4582 -872 791 -1138 C +ATOM 724 C ASP A 800 8.504 195.652 11.313 1.00 38.83 C +ANISOU 724 C ASP A 800 5822 4611 4319 -923 679 -1174 C +ATOM 725 O ASP A 800 8.617 195.283 10.120 1.00 37.16 O +ANISOU 725 O ASP A 800 5636 4471 4009 -1006 718 -1323 O +ATOM 726 CB ASP A 800 7.609 193.945 12.855 1.00 45.81 C +ANISOU 726 CB ASP A 800 6848 5159 5397 -1058 823 -1221 C +ATOM 727 CG ASP A 800 7.923 192.648 13.629 1.00 52.65 C +ANISOU 727 CG ASP A 800 7869 5712 6422 -1053 982 -1231 C +ATOM 728 OD1 ASP A 800 9.114 192.317 13.817 1.00 53.83 O +ANISOU 728 OD1 ASP A 800 8102 5694 6656 -893 1066 -1174 O +ATOM 729 OD2 ASP A 800 6.975 191.940 14.028 1.00 58.15 O +ANISOU 729 OD2 ASP A 800 8599 6331 7162 -1208 1031 -1291 O +ATOM 730 N TYR A 801 7.983 196.814 11.673 1.00 35.74 N +ANISOU 730 N TYR A 801 5302 4386 3891 -883 549 -1043 N +ATOM 731 CA TYR A 801 7.585 197.793 10.657 1.00 35.97 C +ANISOU 731 CA TYR A 801 5207 4689 3770 -908 441 -1034 C +ATOM 732 C TYR A 801 8.801 198.204 9.818 1.00 35.88 C +ANISOU 732 C TYR A 801 5209 4713 3709 -797 455 -1012 C +ATOM 733 O TYR A 801 8.718 198.210 8.583 1.00 37.64 O +ANISOU 733 O TYR A 801 5406 5104 3792 -871 446 -1104 O +ATOM 734 CB TYR A 801 6.924 199.030 11.304 1.00 34.70 C +ANISOU 734 CB TYR A 801 4913 4656 3613 -846 321 -873 C +ATOM 735 CG TYR A 801 6.382 199.992 10.307 1.00 34.34 C +ANISOU 735 CG TYR A 801 4735 4885 3425 -864 218 -839 C +ATOM 736 CD1 TYR A 801 5.124 199.800 9.743 1.00 39.09 C +ANISOU 736 CD1 TYR A 801 5250 5685 3913 -1021 170 -921 C +ATOM 737 CD2 TYR A 801 7.143 201.044 9.880 1.00 36.56 C +ANISOU 737 CD2 TYR A 801 4972 5238 3679 -730 175 -720 C +ATOM 738 CE1 TYR A 801 4.643 200.654 8.764 1.00 39.58 C +ANISOU 738 CE1 TYR A 801 5180 6030 3830 -1025 74 -870 C +ATOM 739 CE2 TYR A 801 6.699 201.902 8.906 1.00 37.51 C +ANISOU 739 CE2 TYR A 801 4976 5607 3666 -734 92 -665 C +ATOM 740 CZ TYR A 801 5.441 201.709 8.372 1.00 39.15 C +ANISOU 740 CZ TYR A 801 5093 6023 3757 -872 39 -731 C +ATOM 741 OH TYR A 801 5.007 202.579 7.451 1.00 38.34 O +ANISOU 741 OH TYR A 801 4862 6184 3519 -857 -45 -646 O +ATOM 742 N VAL A 802 9.931 198.508 10.456 1.00 35.01 N +ANISOU 742 N VAL A 802 5133 4468 3701 -632 481 -897 N +ATOM 743 CA VAL A 802 11.136 198.921 9.667 1.00 36.77 C +ANISOU 743 CA VAL A 802 5357 4734 3880 -529 501 -870 C +ATOM 744 C VAL A 802 11.701 197.780 8.830 1.00 39.03 C +ANISOU 744 C VAL A 802 5748 4944 4136 -575 626 -1038 C +ATOM 745 O VAL A 802 12.172 198.038 7.715 1.00 38.03 O +ANISOU 745 O VAL A 802 5599 4951 3896 -571 632 -1078 O +ATOM 746 CB VAL A 802 12.279 199.617 10.444 1.00 37.54 C +ANISOU 746 CB VAL A 802 5439 4745 4077 -353 493 -711 C +ATOM 747 CG1 VAL A 802 11.771 200.878 11.135 1.00 38.18 C +ANISOU 747 CG1 VAL A 802 5418 4910 4179 -313 380 -566 C +ATOM 748 CG2 VAL A 802 12.988 198.712 11.430 1.00 39.97 C +ANISOU 748 CG2 VAL A 802 5841 4821 4521 -277 588 -703 C +ATOM 749 N ARG A 803 11.583 196.533 9.312 1.00 38.51 N +ANISOU 749 N ARG A 803 5797 4670 4165 -626 733 -1141 N +ATOM 750 CA ARG A 803 12.016 195.390 8.521 1.00 40.83 C +ANISOU 750 CA ARG A 803 6204 4862 4445 -680 874 -1326 C +ATOM 751 C ARG A 803 11.103 195.172 7.309 1.00 41.99 C +ANISOU 751 C ARG A 803 6329 5203 4422 -880 856 -1512 C +ATOM 752 O ARG A 803 11.603 194.960 6.208 1.00 41.92 O +ANISOU 752 O ARG A 803 6344 5272 4310 -901 913 -1631 O +ATOM 753 CB ARG A 803 12.109 194.114 9.371 1.00 41.80 C +ANISOU 753 CB ARG A 803 6464 4683 4734 -678 1010 -1374 C +ATOM 754 CG ARG A 803 13.173 194.164 10.448 1.00 41.14 C +ANISOU 754 CG ARG A 803 6403 4431 4797 -469 1044 -1197 C +ATOM 755 CD ARG A 803 13.066 192.981 11.424 1.00 41.93 C +ANISOU 755 CD ARG A 803 6623 4250 5058 -465 1164 -1197 C +ATOM 756 NE ARG A 803 14.220 192.936 12.323 1.00 41.89 N +ANISOU 756 NE ARG A 803 6631 4112 5172 -250 1206 -1027 N +ATOM 757 CZ ARG A 803 14.410 192.056 13.313 1.00 43.29 C +ANISOU 757 CZ ARG A 803 6894 4059 5494 -180 1305 -953 C +ATOM 758 NH1 ARG A 803 13.520 191.117 13.564 1.00 43.39 N +ANISOU 758 NH1 ARG A 803 7002 3915 5569 -315 1385 -1037 N +ATOM 759 NH2 ARG A 803 15.510 192.119 14.051 1.00 43.73 N +ANISOU 759 NH2 ARG A 803 6932 4052 5629 23 1325 -785 N +ATOM 760 N GLU A 804 9.781 195.216 7.523 1.00 41.12 N +ANISOU 760 N GLU A 804 6161 5189 4272 -1029 780 -1540 N +ATOM 761 CA GLU A 804 8.784 195.040 6.468 1.00 43.59 C +ANISOU 761 CA GLU A 804 6423 5729 4409 -1237 744 -1709 C +ATOM 762 C GLU A 804 8.824 196.158 5.409 1.00 44.21 C +ANISOU 762 C GLU A 804 6368 6134 4296 -1209 630 -1644 C +ATOM 763 O GLU A 804 8.533 195.899 4.260 1.00 49.46 O +ANISOU 763 O GLU A 804 7014 6990 4789 -1343 635 -1800 O +ATOM 764 CB GLU A 804 7.364 194.920 7.066 1.00 43.85 C +ANISOU 764 CB GLU A 804 6396 5810 4453 -1387 680 -1721 C +ATOM 765 N HIS A 805 9.202 197.378 5.766 1.00 41.56 N +ANISOU 765 N HIS A 805 5944 5861 3983 -1044 536 -1418 N +ATOM 766 CA HIS A 805 9.145 198.506 4.820 1.00 43.20 C +ANISOU 766 CA HIS A 805 6022 6367 4023 -1013 431 -1320 C +ATOM 767 C HIS A 805 10.496 199.115 4.546 1.00 42.87 C +ANISOU 767 C HIS A 805 5991 6299 3995 -844 459 -1209 C +ATOM 768 O HIS A 805 10.584 200.285 4.218 1.00 44.64 O +ANISOU 768 O HIS A 805 6113 6691 4156 -766 372 -1045 O +ATOM 769 CB HIS A 805 8.217 199.573 5.367 1.00 42.54 C +ANISOU 769 CB HIS A 805 5803 6412 3946 -982 294 -1142 C +ATOM 770 CG HIS A 805 6.822 199.085 5.522 1.00 47.02 C +ANISOU 770 CG HIS A 805 6324 7068 4473 -1154 255 -1240 C +ATOM 771 ND1 HIS A 805 6.367 198.525 6.691 1.00 44.48 N +ANISOU 771 ND1 HIS A 805 6052 6544 4301 -1188 287 -1259 N +ATOM 772 CD2 HIS A 805 5.821 198.943 4.622 1.00 48.01 C +ANISOU 772 CD2 HIS A 805 6356 7468 4415 -1320 198 -1343 C +ATOM 773 CE1 HIS A 805 5.120 198.126 6.532 1.00 46.44 C +ANISOU 773 CE1 HIS A 805 6237 6934 4474 -1366 251 -1361 C +ATOM 774 NE2 HIS A 805 4.757 198.392 5.294 1.00 48.64 N +ANISOU 774 NE2 HIS A 805 6420 7511 4549 -1449 191 -1413 N +ATOM 775 N LYS A 806 11.528 198.304 4.711 1.00 44.18 N +ANISOU 775 N LYS A 806 6281 6247 4258 -788 588 -1290 N +ATOM 776 CA LYS A 806 12.953 198.663 4.622 1.00 48.41 C +ANISOU 776 CA LYS A 806 6836 6716 4839 -624 641 -1199 C +ATOM 777 C LYS A 806 13.268 199.481 3.387 1.00 50.93 C +ANISOU 777 C LYS A 806 7071 7299 4981 -613 600 -1152 C +ATOM 778 O LYS A 806 14.044 200.404 3.424 1.00 52.15 O +ANISOU 778 O LYS A 806 7174 7481 5160 -487 574 -986 O +ATOM 779 CB LYS A 806 13.684 197.331 4.450 1.00 59.11 C +ANISOU 779 CB LYS A 806 8330 7876 6250 -628 808 -1380 C +ATOM 780 CG LYS A 806 15.079 197.219 4.993 1.00 65.82 C +ANISOU 780 CG LYS A 806 9230 8535 7243 -445 895 -1297 C +ATOM 781 CD LYS A 806 15.350 195.793 5.501 1.00 71.91 C +ANISOU 781 CD LYS A 806 10146 9021 8156 -438 1048 -1427 C +ATOM 782 CE LYS A 806 14.884 194.703 4.550 1.00 75.51 C +ANISOU 782 CE LYS A 806 10694 9473 8523 -601 1155 -1693 C +ATOM 783 NZ LYS A 806 15.866 194.487 3.459 1.00 84.20 N +ANISOU 783 NZ LYS A 806 11820 10635 9536 -554 1261 -1796 N +ATOM 784 N ASP A 807 12.676 199.066 2.277 1.00 48.76 N +ANISOU 784 N ASP A 807 6785 7220 4519 -759 605 -1309 N +ATOM 785 CA ASP A 807 12.899 199.670 0.977 1.00 54.33 C +ANISOU 785 CA ASP A 807 7414 8210 5017 -770 578 -1285 C +ATOM 786 C ASP A 807 12.154 200.976 0.758 1.00 52.59 C +ANISOU 786 C ASP A 807 7044 8236 4701 -757 426 -1082 C +ATOM 787 O ASP A 807 12.411 201.658 -0.205 1.00 53.82 O +ANISOU 787 O ASP A 807 7126 8619 4702 -735 398 -998 O +ATOM 788 CB ASP A 807 12.490 198.676 -0.122 1.00 58.24 C +ANISOU 788 CB ASP A 807 7950 8849 5327 -949 642 -1551 C +ATOM 789 CG ASP A 807 13.373 197.433 -0.146 1.00 62.08 C +ANISOU 789 CG ASP A 807 8592 9096 5898 -943 823 -1757 C +ATOM 790 OD1 ASP A 807 14.565 197.518 0.244 1.00 62.61 O +ANISOU 790 OD1 ASP A 807 8702 8989 6097 -777 897 -1670 O +ATOM 791 OD2 ASP A 807 12.875 196.364 -0.565 1.00 69.57 O +ANISOU 791 OD2 ASP A 807 9615 10033 6784 -1107 899 -2011 O +ATOM 792 N ASN A 808 11.235 201.315 1.640 1.00 50.98 N +ANISOU 792 N ASN A 808 6793 7988 4589 -764 338 -995 N +ATOM 793 CA ASN A 808 10.443 202.519 1.500 1.00 54.03 C +ANISOU 793 CA ASN A 808 7036 8586 4906 -736 206 -799 C +ATOM 794 C ASN A 808 10.563 203.522 2.616 1.00 50.69 C +ANISOU 794 C ASN A 808 6581 8006 4670 -593 157 -586 C +ATOM 795 O ASN A 808 9.787 204.464 2.664 1.00 58.12 O +ANISOU 795 O ASN A 808 7413 9078 5589 -563 62 -431 O +ATOM 796 CB ASN A 808 8.972 202.156 1.409 1.00 59.84 C +ANISOU 796 CB ASN A 808 7705 9485 5546 -888 133 -888 C +ATOM 797 CG ASN A 808 8.465 202.327 0.023 1.00 69.30 C +ANISOU 797 CG ASN A 808 8800 11054 6476 -983 78 -915 C +ATOM 798 OD1 ASN A 808 7.905 203.371 -0.312 1.00 79.13 O +ANISOU 798 OD1 ASN A 808 9906 12524 7633 -931 -26 -720 O +ATOM 799 ND2 ASN A 808 8.753 201.351 -0.832 1.00 72.14 N +ANISOU 799 ND2 ASN A 808 9226 11484 6697 -1108 158 -1144 N +ATOM 800 N ILE A 809 11.469 203.303 3.548 1.00 42.66 N +ANISOU 800 N ILE A 809 5655 6717 3835 -507 225 -582 N +ATOM 801 CA ILE A 809 11.572 204.201 4.659 1.00 41.82 C +ANISOU 801 CA ILE A 809 5522 6472 3897 -394 183 -412 C +ATOM 802 C ILE A 809 12.638 205.226 4.302 1.00 39.13 C +ANISOU 802 C ILE A 809 5149 6151 3566 -280 194 -255 C +ATOM 803 O ILE A 809 13.766 204.870 3.998 1.00 40.18 O +ANISOU 803 O ILE A 809 5337 6228 3701 -247 275 -300 O +ATOM 804 CB ILE A 809 11.866 203.456 5.973 1.00 41.36 C +ANISOU 804 CB ILE A 809 5557 6138 4017 -372 238 -480 C +ATOM 805 CG1 ILE A 809 10.588 202.699 6.400 1.00 42.67 C +ANISOU 805 CG1 ILE A 809 5731 6298 4182 -491 214 -590 C +ATOM 806 CG2 ILE A 809 12.282 204.431 7.062 1.00 40.52 C +ANISOU 806 CG2 ILE A 809 5425 5903 4067 -251 208 -316 C +ATOM 807 CD1 ILE A 809 10.794 201.726 7.531 1.00 40.75 C +ANISOU 807 CD1 ILE A 809 5592 5801 4089 -492 285 -670 C +ATOM 808 N GLY A 810 12.227 206.486 4.381 1.00 36.77 N +ANISOU 808 N GLY A 810 4761 5924 3286 -221 121 -69 N +ATOM 809 CA GLY A 810 13.063 207.633 4.138 1.00 36.81 C +ANISOU 809 CA GLY A 810 4729 5933 3324 -124 129 104 C +ATOM 810 C GLY A 810 13.572 208.335 5.383 1.00 32.75 C +ANISOU 810 C GLY A 810 4228 5200 3014 -38 134 196 C +ATOM 811 O GLY A 810 13.214 208.010 6.517 1.00 30.86 O +ANISOU 811 O GLY A 810 4020 4816 2888 -40 123 142 O +ATOM 812 N SER A 811 14.410 209.331 5.147 1.00 32.36 N +ANISOU 812 N SER A 811 4151 5140 3003 26 155 336 N +ATOM 813 CA SER A 811 15.131 209.984 6.224 1.00 31.61 C +ANISOU 813 CA SER A 811 4069 4852 3087 86 174 399 C +ATOM 814 C SER A 811 14.199 210.774 7.142 1.00 30.76 C +ANISOU 814 C SER A 811 3929 4667 3091 113 120 472 C +ATOM 815 O SER A 811 14.436 210.836 8.355 1.00 29.77 O +ANISOU 815 O SER A 811 3831 4378 3101 131 127 441 O +ATOM 816 CB SER A 811 16.257 210.889 5.668 1.00 31.70 C +ANISOU 816 CB SER A 811 4053 4879 3112 126 221 525 C +ATOM 817 OG SER A 811 15.785 211.773 4.644 1.00 29.47 O +ANISOU 817 OG SER A 811 3707 4749 2737 139 199 678 O +ATOM 818 N GLN A 812 13.127 211.316 6.575 1.00 29.90 N +ANISOU 818 N GLN A 812 3755 4690 2914 119 70 564 N +ATOM 819 CA GLN A 812 12.159 212.082 7.340 1.00 36.11 C +ANISOU 819 CA GLN A 812 4500 5417 3801 160 29 639 C +ATOM 820 C GLN A 812 11.470 211.220 8.394 1.00 32.84 C +ANISOU 820 C GLN A 812 4116 4930 3431 119 6 499 C +ATOM 821 O GLN A 812 11.405 211.598 9.559 1.00 31.21 O +ANISOU 821 O GLN A 812 3923 4574 3361 150 11 498 O +ATOM 822 CB GLN A 812 11.113 212.734 6.419 1.00 40.53 C +ANISOU 822 CB GLN A 812 4967 6168 4263 190 -18 780 C +ATOM 823 CG GLN A 812 10.174 213.688 7.139 1.00 49.92 C +ANISOU 823 CG GLN A 812 6104 7290 5574 263 -42 885 C +ATOM 824 CD GLN A 812 10.942 214.816 7.857 1.00 59.14 C +ANISOU 824 CD GLN A 812 7304 8236 6930 328 15 969 C +ATOM 825 OE1 GLN A 812 11.060 214.699 9.179 1.00 60.32 O +ANISOU 825 OE1 GLN A 812 7436 8380 7102 377 50 1124 O +ATOM 826 NE2 GLN A 812 11.409 215.775 7.234 1.00 65.38 N +ANISOU 826 NE2 GLN A 812 8140 8848 7850 318 30 864 N +ATOM 827 N TYR A 813 11.055 210.030 7.995 1.00 30.11 N +ANISOU 827 N TYR A 813 3788 4682 2970 41 -5 372 N +ATOM 828 CA TYR A 813 10.457 209.104 8.954 1.00 32.59 C +ANISOU 828 CA TYR A 813 4139 4916 3325 -11 -11 241 C +ATOM 829 C TYR A 813 11.413 208.695 10.062 1.00 30.27 C +ANISOU 829 C TYR A 813 3927 4419 3154 7 37 177 C +ATOM 830 O TYR A 813 11.056 208.742 11.247 1.00 29.01 O +ANISOU 830 O TYR A 813 3775 4153 3092 19 29 163 O +ATOM 831 CB TYR A 813 9.902 207.878 8.232 1.00 36.82 C +ANISOU 831 CB TYR A 813 4688 5581 3720 -119 -16 105 C +ATOM 832 CG TYR A 813 8.600 208.136 7.545 1.00 43.70 C +ANISOU 832 CG TYR A 813 5456 6673 4475 -158 -85 147 C +ATOM 833 CD1 TYR A 813 7.431 208.156 8.259 1.00 49.54 C +ANISOU 833 CD1 TYR A 813 6142 7424 5256 -176 -127 144 C +ATOM 834 CD2 TYR A 813 8.535 208.329 6.177 1.00 55.12 C +ANISOU 834 CD2 TYR A 813 6844 8341 5756 -177 -108 192 C +ATOM 835 CE1 TYR A 813 6.219 208.365 7.647 1.00 55.27 C +ANISOU 835 CE1 TYR A 813 6751 8378 5871 -208 -193 188 C +ATOM 836 CE2 TYR A 813 7.326 208.547 5.549 1.00 61.92 C +ANISOU 836 CE2 TYR A 813 7590 9443 6493 -210 -180 241 C +ATOM 837 CZ TYR A 813 6.166 208.564 6.302 1.00 58.56 C +ANISOU 837 CZ TYR A 813 7104 9025 6121 -223 -224 240 C +ATOM 838 OH TYR A 813 4.944 208.772 5.726 1.00 64.52 O +ANISOU 838 OH TYR A 813 7721 10038 6753 -251 -298 295 O +ATOM 839 N LEU A 814 12.629 208.286 9.704 1.00 28.55 N +ANISOU 839 N LEU A 814 3760 4164 2922 15 89 142 N +ATOM 840 CA LEU A 814 13.601 207.812 10.693 1.00 27.52 C +ANISOU 840 CA LEU A 814 3690 3873 2890 43 135 94 C +ATOM 841 C LEU A 814 13.886 208.890 11.711 1.00 27.02 C +ANISOU 841 C LEU A 814 3597 3716 2950 98 120 178 C +ATOM 842 O LEU A 814 13.890 208.657 12.937 1.00 25.75 O +ANISOU 842 O LEU A 814 3459 3454 2868 105 121 143 O +ATOM 843 CB LEU A 814 14.897 207.350 10.028 1.00 28.40 C +ANISOU 843 CB LEU A 814 3836 3986 2965 62 198 65 C +ATOM 844 CG LEU A 814 14.780 206.042 9.268 1.00 30.18 C +ANISOU 844 CG LEU A 814 4118 4255 3092 6 241 -64 C +ATOM 845 CD1 LEU A 814 15.912 205.869 8.269 1.00 31.75 C +ANISOU 845 CD1 LEU A 814 4327 4509 3225 30 305 -77 C +ATOM 846 CD2 LEU A 814 14.729 204.848 10.224 1.00 29.76 C +ANISOU 846 CD2 LEU A 814 4141 4057 3110 -4 280 -165 C +ATOM 847 N LEU A 815 14.122 210.108 11.249 1.00 27.03 N +ANISOU 847 N LEU A 815 3550 3749 2969 130 113 289 N +ATOM 848 CA LEU A 815 14.455 211.170 12.210 1.00 28.09 C +ANISOU 848 CA LEU A 815 3665 3775 3230 165 115 346 C +ATOM 849 C LEU A 815 13.274 211.584 13.072 1.00 27.63 C +ANISOU 849 C LEU A 815 3586 3679 3230 171 82 348 C +ATOM 850 O LEU A 815 13.444 211.839 14.280 1.00 26.99 O +ANISOU 850 O LEU A 815 3516 3500 3240 178 88 316 O +ATOM 851 CB LEU A 815 15.076 212.386 11.500 1.00 29.27 C +ANISOU 851 CB LEU A 815 3778 3936 3404 190 138 466 C +ATOM 852 CG LEU A 815 16.405 212.050 10.840 1.00 30.21 C +ANISOU 852 CG LEU A 815 3908 4090 3480 184 182 462 C +ATOM 853 CD1 LEU A 815 16.742 213.070 9.746 1.00 31.50 C +ANISOU 853 CD1 LEU A 815 4032 4313 3622 196 206 596 C +ATOM 854 CD2 LEU A 815 17.560 211.883 11.821 1.00 31.53 C +ANISOU 854 CD2 LEU A 815 4086 4167 3726 184 209 410 C +ATOM 855 N ASN A 816 12.083 211.635 12.486 1.00 28.06 N +ANISOU 855 N ASN A 816 3603 3831 3226 169 48 380 N +ATOM 856 CA ASN A 816 10.888 211.920 13.271 1.00 30.54 C +ANISOU 856 CA ASN A 816 3885 4128 3589 180 22 378 C +ATOM 857 C ASN A 816 10.657 210.818 14.296 1.00 27.54 C +ANISOU 857 C ASN A 816 3548 3702 3213 134 21 258 C +ATOM 858 O ASN A 816 10.265 211.105 15.377 1.00 28.08 O +ANISOU 858 O ASN A 816 3609 3705 3352 147 22 241 O +ATOM 859 CB ASN A 816 9.647 212.054 12.400 1.00 35.89 C +ANISOU 859 CB ASN A 816 4492 4958 4185 185 -18 438 C +ATOM 860 CG ASN A 816 9.572 213.402 11.669 1.00 50.44 C +ANISOU 860 CG ASN A 816 6278 6832 6055 261 -14 601 C +ATOM 861 OD1 ASN A 816 10.112 214.451 12.277 1.00 60.84 O +ANISOU 861 OD1 ASN A 816 7534 8311 7268 271 -44 682 O +ATOM 862 ND2 ASN A 816 9.006 213.492 10.580 1.00 55.85 N +ANISOU 862 ND2 ASN A 816 6978 7366 6875 310 28 652 N +ATOM 863 N TRP A 817 10.905 209.555 13.970 1.00 28.03 N +ANISOU 863 N TRP A 817 3657 3791 3201 83 30 178 N +ATOM 864 CA TRP A 817 10.716 208.521 15.013 1.00 27.91 C +ANISOU 864 CA TRP A 817 3690 3706 3207 46 43 89 C +ATOM 865 C TRP A 817 11.661 208.731 16.172 1.00 27.20 C +ANISOU 865 C TRP A 817 3627 3506 3200 85 66 88 C +ATOM 866 O TRP A 817 11.276 208.534 17.328 1.00 27.24 O +ANISOU 866 O TRP A 817 3639 3467 3243 78 66 60 O +ATOM 867 CB TRP A 817 10.883 207.103 14.457 1.00 28.46 C +ANISOU 867 CB TRP A 817 3820 3787 3204 -11 72 1 C +ATOM 868 CG TRP A 817 9.854 206.715 13.491 1.00 28.96 C +ANISOU 868 CG TRP A 817 3855 3977 3170 -82 48 -34 C +ATOM 869 CD1 TRP A 817 8.583 207.157 13.452 1.00 29.53 C +ANISOU 869 CD1 TRP A 817 3851 4149 3220 -104 1 -6 C +ATOM 870 CD2 TRP A 817 9.990 205.782 12.409 1.00 29.36 C +ANISOU 870 CD2 TRP A 817 3943 4089 3123 -147 73 -116 C +ATOM 871 NE1 TRP A 817 7.917 206.598 12.382 1.00 31.32 N +ANISOU 871 NE1 TRP A 817 4051 4520 3328 -186 -17 -58 N +ATOM 872 CE2 TRP A 817 8.756 205.732 11.745 1.00 30.23 C +ANISOU 872 CE2 TRP A 817 3989 4354 3140 -222 29 -138 C +ATOM 873 CE3 TRP A 817 11.053 205.042 11.897 1.00 29.56 C +ANISOU 873 CE3 TRP A 817 4040 4065 3124 -145 133 -175 C +ATOM 874 CZ2 TRP A 817 8.545 204.937 10.607 1.00 33.76 C +ANISOU 874 CZ2 TRP A 817 4448 4915 3461 -316 39 -235 C +ATOM 875 CZ3 TRP A 817 10.853 204.272 10.762 1.00 30.10 C +ANISOU 875 CZ3 TRP A 817 4131 4224 3080 -226 155 -273 C +ATOM 876 CH2 TRP A 817 9.608 204.220 10.126 1.00 31.16 C +ANISOU 876 CH2 TRP A 817 4206 4520 3113 -320 107 -310 C +ATOM 877 N CYS A 818 12.919 209.096 15.887 1.00 26.75 N +ANISOU 877 N CYS A 818 3576 3425 3160 117 86 119 N +ATOM 878 CA CYS A 818 13.860 209.369 16.961 1.00 25.61 C +ANISOU 878 CA CYS A 818 3436 3213 3081 142 100 117 C +ATOM 879 C CYS A 818 13.398 210.527 17.843 1.00 25.90 C +ANISOU 879 C CYS A 818 3435 3216 3189 149 85 132 C +ATOM 880 O CYS A 818 13.579 210.513 19.083 1.00 25.31 O +ANISOU 880 O CYS A 818 3361 3108 3145 146 87 96 O +ATOM 881 CB CYS A 818 15.277 209.686 16.434 1.00 24.03 C +ANISOU 881 CB CYS A 818 3227 3016 2888 164 124 150 C +ATOM 882 SG CYS A 818 16.043 208.391 15.471 1.00 29.22 S +ANISOU 882 SG CYS A 818 3927 3702 3473 175 165 121 S +ATOM 883 N VAL A 819 12.877 211.571 17.229 1.00 25.34 N +ANISOU 883 N VAL A 819 3328 3155 3144 163 80 188 N +ATOM 884 CA VAL A 819 12.300 212.650 18.010 1.00 26.97 C +ANISOU 884 CA VAL A 819 3505 3310 3430 180 84 193 C +ATOM 885 C VAL A 819 11.175 212.169 18.940 1.00 25.67 C +ANISOU 885 C VAL A 819 3337 3159 3257 170 72 140 C +ATOM 886 O VAL A 819 11.136 212.490 20.146 1.00 26.74 O +ANISOU 886 O VAL A 819 3471 3253 3435 166 85 92 O +ATOM 887 CB VAL A 819 11.759 213.793 17.110 1.00 26.04 C +ANISOU 887 CB VAL A 819 3348 3193 3350 220 92 288 C +ATOM 888 CG1 VAL A 819 11.026 214.859 17.931 1.00 26.61 C +ANISOU 888 CG1 VAL A 819 3396 3192 3522 252 116 287 C +ATOM 889 CG2 VAL A 819 12.882 214.426 16.291 1.00 27.74 C +ANISOU 889 CG2 VAL A 819 3567 3386 3587 223 117 354 C +ATOM 890 N GLN A 820 10.248 211.414 18.381 1.00 25.57 N +ANISOU 890 N GLN A 820 3317 3218 3181 154 50 143 N +ATOM 891 CA GLN A 820 9.055 211.026 19.140 1.00 25.34 C +ANISOU 891 CA GLN A 820 3268 3216 3144 136 43 104 C +ATOM 892 C GLN A 820 9.410 210.062 20.263 1.00 26.04 C +ANISOU 892 C GLN A 820 3404 3272 3217 102 56 40 C +ATOM 893 O GLN A 820 8.868 210.145 21.345 1.00 23.35 O +ANISOU 893 O GLN A 820 3050 2927 2895 98 65 10 O +ATOM 894 CB GLN A 820 8.036 210.372 18.212 1.00 26.24 C +ANISOU 894 CB GLN A 820 3352 3433 3183 103 16 113 C +ATOM 895 CG GLN A 820 7.433 211.376 17.239 1.00 28.47 C +ANISOU 895 CG GLN A 820 3563 3785 3467 153 -2 202 C +ATOM 896 CD GLN A 820 6.438 210.738 16.312 1.00 33.94 C +ANISOU 896 CD GLN A 820 4206 4626 4062 108 -39 206 C +ATOM 897 OE1 GLN A 820 5.912 209.655 16.554 1.00 32.61 O +ANISOU 897 OE1 GLN A 820 4049 4495 3844 31 -44 131 O +ATOM 898 NE2 GLN A 820 6.165 211.420 15.236 1.00 38.79 N +ANISOU 898 NE2 GLN A 820 4758 5334 4644 150 -62 300 N +ATOM 899 N ILE A 821 10.328 209.136 20.005 1.00 23.59 N +ANISOU 899 N ILE A 821 3145 2944 2870 86 64 29 N +ATOM 900 CA ILE A 821 10.771 208.256 21.067 1.00 25.54 C +ANISOU 900 CA ILE A 821 3434 3161 3109 76 82 1 C +ATOM 901 C ILE A 821 11.443 209.035 22.209 1.00 25.98 C +ANISOU 901 C ILE A 821 3469 3201 3199 100 84 -4 C +ATOM 902 O ILE A 821 11.241 208.723 23.439 1.00 26.26 O +ANISOU 902 O ILE A 821 3506 3249 3221 90 91 -25 O +ATOM 903 CB ILE A 821 11.704 207.170 20.500 1.00 25.10 C +ANISOU 903 CB ILE A 821 3433 3079 3023 79 104 3 C +ATOM 904 CG1 ILE A 821 10.936 206.220 19.591 1.00 25.37 C +ANISOU 904 CG1 ILE A 821 3498 3124 3015 28 115 -27 C +ATOM 905 CG2 ILE A 821 12.304 206.351 21.613 1.00 26.64 C +ANISOU 905 CG2 ILE A 821 3662 3241 3218 96 128 8 C +ATOM 906 CD1 ILE A 821 11.855 205.409 18.654 1.00 27.22 C +ANISOU 906 CD1 ILE A 821 3786 3331 3224 36 149 -41 C +ATOM 907 N ALA A 822 12.252 210.029 21.847 1.00 24.90 N +ANISOU 907 N ALA A 822 3311 3050 3100 119 81 8 N +ATOM 908 CA ALA A 822 12.910 210.879 22.840 1.00 24.82 C +ANISOU 908 CA ALA A 822 3275 3032 3122 116 86 -20 C +ATOM 909 C ALA A 822 11.880 211.716 23.624 1.00 26.55 C +ANISOU 909 C ALA A 822 3469 3241 3377 110 97 -63 C +ATOM 910 O ALA A 822 12.035 211.892 24.846 1.00 25.26 O +ANISOU 910 O ALA A 822 3295 3100 3201 91 104 -117 O +ATOM 911 CB ALA A 822 13.995 211.764 22.204 1.00 25.76 C +ANISOU 911 CB ALA A 822 3377 3128 3283 118 92 -1 C +ATOM 912 N LYS A 823 10.828 212.199 22.957 1.00 25.81 N +ANISOU 912 N LYS A 823 3358 3130 3317 130 102 -39 N +ATOM 913 CA LYS A 823 9.730 212.850 23.645 1.00 24.55 C +ANISOU 913 CA LYS A 823 3167 2965 3193 143 123 -73 C +ATOM 914 C LYS A 823 9.056 211.968 24.682 1.00 24.34 C +ANISOU 914 C LYS A 823 3142 2997 3109 117 124 -112 C +ATOM 915 O LYS A 823 8.844 212.375 25.832 1.00 25.50 O +ANISOU 915 O LYS A 823 3274 3154 3258 110 148 -172 O +ATOM 916 CB LYS A 823 8.678 213.380 22.675 1.00 26.61 C +ANISOU 916 CB LYS A 823 3390 3226 3492 187 125 -14 C +ATOM 917 CG LYS A 823 9.129 214.661 21.985 1.00 27.41 C +ANISOU 917 CG LYS A 823 3484 3250 3680 226 150 31 C +ATOM 918 CD LYS A 823 8.074 215.118 21.011 1.00 28.77 C +ANISOU 918 CD LYS A 823 3607 3447 3875 288 148 121 C +ATOM 919 CE LYS A 823 8.544 216.420 20.405 1.00 32.88 C +ANISOU 919 CE LYS A 823 4127 3870 4493 335 188 189 C +ATOM 920 NZ LYS A 823 7.582 217.015 19.478 1.00 33.61 N +ANISOU 920 NZ LYS A 823 4164 3990 4616 418 192 308 N +ATOM 921 N GLY A 824 8.715 210.756 24.293 1.00 23.07 N +ANISOU 921 N GLY A 824 2999 2873 2891 96 106 -82 N +ATOM 922 CA GLY A 824 8.106 209.851 25.226 1.00 24.42 C +ANISOU 922 CA GLY A 824 3177 3087 3012 64 117 -100 C +ATOM 923 C GLY A 824 9.003 209.549 26.391 1.00 25.22 C +ANISOU 923 C GLY A 824 3302 3204 3075 55 124 -119 C +ATOM 924 O GLY A 824 8.531 209.453 27.505 1.00 25.17 O +ANISOU 924 O GLY A 824 3281 3244 3035 40 142 -146 O +ATOM 925 N MET A 825 10.295 209.342 26.131 1.00 27.05 N +ANISOU 925 N MET A 825 3559 3418 3299 67 109 -96 N +ATOM 926 CA MET A 825 11.240 209.011 27.166 1.00 24.85 C +ANISOU 926 CA MET A 825 3283 3186 2970 67 107 -95 C +ATOM 927 C MET A 825 11.464 210.170 28.092 1.00 26.29 C +ANISOU 927 C MET A 825 3424 3409 3155 51 110 -167 C +ATOM 928 O MET A 825 11.559 209.975 29.313 1.00 25.87 O +ANISOU 928 O MET A 825 3355 3439 3034 35 113 -188 O +ATOM 929 CB MET A 825 12.572 208.515 26.569 1.00 27.50 C +ANISOU 929 CB MET A 825 3637 3508 3301 94 94 -46 C +ATOM 930 CG MET A 825 12.490 207.131 25.944 1.00 27.14 C +ANISOU 930 CG MET A 825 3646 3420 3244 109 111 9 C +ATOM 931 SD MET A 825 11.857 205.845 27.042 1.00 29.07 S +ANISOU 931 SD MET A 825 3925 3680 3439 99 142 52 S +ATOM 932 CE MET A 825 13.069 205.952 28.330 1.00 30.50 C +ANISOU 932 CE MET A 825 4064 3964 3558 137 126 88 C +ATOM 933 N ASN A 826 11.533 211.405 27.554 1.00 25.92 N +ANISOU 933 N ASN A 826 3359 3305 3182 51 117 -209 N +ATOM 934 CA ASN A 826 11.597 212.573 28.397 1.00 25.04 C +ANISOU 934 CA ASN A 826 3220 3201 3093 23 141 -304 C +ATOM 935 C ASN A 826 10.406 212.699 29.332 1.00 26.07 C +ANISOU 935 C ASN A 826 3336 3366 3201 19 173 -359 C +ATOM 936 O ASN A 826 10.547 213.099 30.497 1.00 25.69 O +ANISOU 936 O ASN A 826 3269 3384 3108 -15 191 -445 O +ATOM 937 CB ASN A 826 11.735 213.852 27.550 1.00 26.66 C +ANISOU 937 CB ASN A 826 3422 3298 3408 29 164 -324 C +ATOM 938 CG ASN A 826 11.832 215.087 28.391 1.00 28.76 C +ANISOU 938 CG ASN A 826 3673 3538 3717 -9 209 -441 C +ATOM 939 OD1 ASN A 826 12.866 215.362 28.969 1.00 28.68 O +ANISOU 939 OD1 ASN A 826 3647 3572 3675 -67 202 -503 O +ATOM 940 ND2 ASN A 826 10.794 215.881 28.402 1.00 29.90 N +ANISOU 940 ND2 ASN A 826 3815 3608 3938 21 260 -476 N +ATOM 941 N TYR A 827 9.218 212.393 28.830 1.00 26.75 N +ANISOU 941 N TYR A 827 3421 3427 3312 48 183 -318 N +ATOM 942 CA TYR A 827 8.029 212.399 29.643 1.00 26.56 C +ANISOU 942 CA TYR A 827 3372 3451 3266 47 218 -357 C +ATOM 943 C TYR A 827 8.150 211.397 30.782 1.00 26.30 C +ANISOU 943 C TYR A 827 3345 3528 3118 13 213 -350 C +ATOM 944 O TYR A 827 7.879 211.716 31.962 1.00 27.00 O +ANISOU 944 O TYR A 827 3410 3693 3154 -7 244 -422 O +ATOM 945 CB TYR A 827 6.773 212.131 28.797 1.00 28.18 C +ANISOU 945 CB TYR A 827 3557 3640 3510 76 221 -301 C +ATOM 946 CG TYR A 827 5.561 211.866 29.655 1.00 27.76 C +ANISOU 946 CG TYR A 827 3466 3662 3418 67 257 -326 C +ATOM 947 CD1 TYR A 827 4.856 212.927 30.212 1.00 30.11 C +ANISOU 947 CD1 TYR A 827 3721 3958 3760 99 312 -401 C +ATOM 948 CD2 TYR A 827 5.167 210.562 29.960 1.00 28.18 C +ANISOU 948 CD2 TYR A 827 3529 3780 3395 25 249 -278 C +ATOM 949 CE1 TYR A 827 3.767 212.719 31.030 1.00 31.04 C +ANISOU 949 CE1 TYR A 827 3794 4159 3839 94 354 -428 C +ATOM 950 CE2 TYR A 827 4.075 210.322 30.786 1.00 30.08 C +ANISOU 950 CE2 TYR A 827 3729 4100 3597 6 289 -297 C +ATOM 951 CZ TYR A 827 3.379 211.405 31.311 1.00 31.94 C +ANISOU 951 CZ TYR A 827 3910 4355 3867 42 338 -372 C +ATOM 952 OH TYR A 827 2.297 211.177 32.088 1.00 31.85 O +ANISOU 952 OH TYR A 827 3849 4435 3815 27 384 -390 O +ATOM 953 N LEU A 828 8.581 210.199 30.449 1.00 26.30 N +ANISOU 953 N LEU A 828 3377 3536 3077 9 183 -261 N +ATOM 954 CA LEU A 828 8.766 209.180 31.496 1.00 27.94 C +ANISOU 954 CA LEU A 828 3595 3837 3183 -8 186 -218 C +ATOM 955 C LEU A 828 9.760 209.679 32.534 1.00 28.58 C +ANISOU 955 C LEU A 828 3650 4016 3193 -22 174 -268 C +ATOM 956 O LEU A 828 9.514 209.552 33.742 1.00 27.69 O +ANISOU 956 O LEU A 828 3514 4018 2986 -44 192 -290 O +ATOM 957 CB LEU A 828 9.230 207.850 30.916 1.00 27.71 C +ANISOU 957 CB LEU A 828 3614 3768 3144 4 171 -110 C +ATOM 958 CG LEU A 828 8.248 207.126 30.009 1.00 29.25 C +ANISOU 958 CG LEU A 828 3837 3891 3384 -11 187 -74 C +ATOM 959 CD1 LEU A 828 8.858 205.808 29.553 1.00 30.64 C +ANISOU 959 CD1 LEU A 828 4075 4010 3556 -2 192 9 C +ATOM 960 CD2 LEU A 828 6.935 206.875 30.765 1.00 28.47 C +ANISOU 960 CD2 LEU A 828 3714 3849 3254 -49 225 -83 C +ATOM 961 N GLU A 829 10.848 210.298 32.087 1.00 26.69 N +ANISOU 961 N GLU A 829 3404 3749 2988 -20 147 -296 N +ATOM 962 CA GLU A 829 11.820 210.885 33.025 1.00 27.99 C +ANISOU 962 CA GLU A 829 3528 4025 3082 -57 132 -366 C +ATOM 963 C GLU A 829 11.180 211.951 33.927 1.00 29.73 C +ANISOU 963 C GLU A 829 3722 4286 3288 -102 175 -510 C +ATOM 964 O GLU A 829 11.435 211.997 35.145 1.00 27.98 O +ANISOU 964 O GLU A 829 3465 4216 2948 -143 176 -566 O +ATOM 965 CB GLU A 829 13.060 211.431 32.276 1.00 28.96 C +ANISOU 965 CB GLU A 829 3640 4105 3259 -64 103 -377 C +ATOM 966 CG GLU A 829 14.069 212.125 33.181 1.00 31.18 C +ANISOU 966 CG GLU A 829 3863 4513 3468 -128 86 -470 C +ATOM 967 CD GLU A 829 15.412 212.432 32.528 1.00 33.73 C +ANISOU 967 CD GLU A 829 4158 4830 3826 -144 55 -459 C +ATOM 968 OE1 GLU A 829 16.307 212.873 33.280 1.00 36.73 O +ANISOU 968 OE1 GLU A 829 4477 5346 4133 -209 33 -530 O +ATOM 969 OE2 GLU A 829 15.580 212.255 31.305 1.00 33.80 O +ANISOU 969 OE2 GLU A 829 4198 4720 3923 -101 52 -387 O +ATOM 970 N ASP A 830 10.349 212.822 33.362 1.00 29.15 N +ANISOU 970 N ASP A 830 3660 4087 3328 -89 217 -572 N +ATOM 971 CA ASP A 830 9.654 213.802 34.176 1.00 30.87 C +ANISOU 971 CA ASP A 830 3859 4318 3552 -114 279 -712 C +ATOM 972 C ASP A 830 8.791 213.096 35.234 1.00 31.65 C +ANISOU 972 C ASP A 830 3939 4550 3536 -118 301 -702 C +ATOM 973 O ASP A 830 8.548 213.654 36.304 1.00 32.91 O +ANISOU 973 O ASP A 830 4074 4798 3631 -155 345 -823 O +ATOM 974 CB ASP A 830 8.692 214.703 33.359 1.00 35.10 C +ANISOU 974 CB ASP A 830 4403 4692 4239 -65 333 -740 C +ATOM 975 CG ASP A 830 9.405 215.802 32.557 1.00 39.18 C +ANISOU 975 CG ASP A 830 4937 5067 4879 -69 345 -779 C +ATOM 976 OD1 ASP A 830 10.528 216.195 32.882 1.00 39.69 O +ANISOU 976 OD1 ASP A 830 4999 5159 4920 -134 333 -847 O +ATOM 977 OD2 ASP A 830 8.791 216.281 31.582 1.00 47.14 O +ANISOU 977 OD2 ASP A 830 5954 5946 6010 -8 371 -733 O +ATOM 978 N ARG A 831 8.259 211.927 34.913 1.00 31.30 N +ANISOU 978 N ARG A 831 3908 4511 3472 -87 284 -569 N +ATOM 979 CA ARG A 831 7.440 211.171 35.878 1.00 33.84 C +ANISOU 979 CA ARG A 831 4213 4953 3689 -99 312 -537 C +ATOM 980 C ARG A 831 8.269 210.287 36.843 1.00 32.79 C +ANISOU 980 C ARG A 831 4076 4981 3402 -123 280 -466 C +ATOM 981 O ARG A 831 7.709 209.494 37.625 1.00 31.16 O +ANISOU 981 O ARG A 831 3860 4877 3099 -131 304 -401 O +ATOM 982 CB ARG A 831 6.432 210.325 35.132 1.00 33.77 C +ANISOU 982 CB ARG A 831 4219 4876 3735 -75 320 -432 C +ATOM 983 CG ARG A 831 5.512 211.188 34.262 1.00 38.20 C +ANISOU 983 CG ARG A 831 4759 5327 4424 -41 348 -483 C +ATOM 984 CD ARG A 831 4.575 212.028 35.114 1.00 45.90 C +ANISOU 984 CD ARG A 831 5688 6357 5394 -36 420 -594 C +ATOM 985 NE ARG A 831 3.677 211.023 35.684 1.00 57.35 N +ANISOU 985 NE ARG A 831 7116 7910 6763 -61 443 -530 N +ATOM 986 CZ ARG A 831 3.431 210.802 36.965 1.00 62.05 C +ANISOU 986 CZ ARG A 831 7689 8646 7238 -94 483 -560 C +ATOM 987 NH1 ARG A 831 3.919 211.602 37.924 1.00 71.85 N +ANISOU 987 NH1 ARG A 831 8920 9965 8412 -110 509 -684 N +ATOM 988 NH2 ARG A 831 2.619 209.796 37.272 1.00 59.45 N +ANISOU 988 NH2 ARG A 831 7345 8388 6855 -122 506 -472 N +ATOM 989 N ARG A 832 9.586 210.413 36.742 1.00 32.22 N +ANISOU 989 N ARG A 832 3999 4934 3309 -128 229 -462 N +ATOM 990 CA ARG A 832 10.558 209.633 37.528 1.00 33.02 C +ANISOU 990 CA ARG A 832 4077 5200 3267 -130 188 -373 C +ATOM 991 C ARG A 832 10.496 208.125 37.260 1.00 30.81 C +ANISOU 991 C ARG A 832 3835 4891 2979 -77 183 -177 C +ATOM 992 O ARG A 832 10.855 207.327 38.115 1.00 30.39 O +ANISOU 992 O ARG A 832 3765 4978 2803 -63 175 -70 O +ATOM 993 CB ARG A 832 10.392 209.894 39.001 1.00 34.81 C +ANISOU 993 CB ARG A 832 4254 5637 3333 -179 209 -447 C +ATOM 994 CG ARG A 832 10.408 211.351 39.367 1.00 39.20 C +ANISOU 994 CG ARG A 832 4782 6213 3897 -243 236 -667 C +ATOM 995 CD ARG A 832 10.380 211.446 40.871 1.00 44.02 C +ANISOU 995 CD ARG A 832 5340 7071 4313 -299 253 -740 C +ATOM 996 NE ARG A 832 10.133 212.812 41.288 1.00 51.85 N +ANISOU 996 NE ARG A 832 6317 8061 5319 -366 308 -978 N +ATOM 997 CZ ARG A 832 9.198 213.219 42.151 1.00 60.82 C +ANISOU 997 CZ ARG A 832 7440 9275 6392 -393 384 -1097 C +ATOM 998 NH1 ARG A 832 8.357 212.358 42.759 1.00 63.31 N +ANISOU 998 NH1 ARG A 832 7746 9699 6607 -367 411 -992 N +ATOM 999 NH2 ARG A 832 9.135 214.528 42.448 1.00 63.83 N +ANISOU 999 NH2 ARG A 832 7819 9624 6809 -453 445 -1331 N +ATOM 1000 N LEU A 833 10.128 207.742 36.047 1.00 30.53 N +ANISOU 1000 N LEU A 833 3851 4674 3073 -49 189 -127 N +ATOM 1001 CA LEU A 833 10.064 206.332 35.671 1.00 30.59 C +ANISOU 1001 CA LEU A 833 3910 4614 3097 -12 201 31 C +ATOM 1002 C LEU A 833 11.285 205.972 34.843 1.00 30.90 C +ANISOU 1002 C LEU A 833 3969 4586 3183 39 164 97 C +ATOM 1003 O LEU A 833 11.598 206.684 33.881 1.00 29.62 O +ANISOU 1003 O LEU A 833 3808 4336 3107 38 141 26 O +ATOM 1004 CB LEU A 833 8.822 206.078 34.834 1.00 31.41 C +ANISOU 1004 CB LEU A 833 4052 4578 3301 -31 237 23 C +ATOM 1005 CG LEU A 833 7.508 206.099 35.589 1.00 34.38 C +ANISOU 1005 CG LEU A 833 4406 5020 3637 -75 287 -5 C +ATOM 1006 CD1 LEU A 833 6.330 206.237 34.641 1.00 33.21 C +ANISOU 1006 CD1 LEU A 833 4261 4764 3593 -98 309 -47 C +ATOM 1007 CD2 LEU A 833 7.317 204.862 36.464 1.00 37.12 C +ANISOU 1007 CD2 LEU A 833 4772 5434 3896 -83 326 129 C +ATOM 1008 N VAL A 834 11.976 204.893 35.223 1.00 28.33 N +ANISOU 1008 N VAL A 834 3654 4306 2802 91 165 243 N +ATOM 1009 CA VAL A 834 12.998 204.279 34.405 1.00 27.10 C +ANISOU 1009 CA VAL A 834 3524 4070 2703 159 152 329 C +ATOM 1010 C VAL A 834 12.345 203.121 33.686 1.00 26.81 C +ANISOU 1010 C VAL A 834 3577 3858 2752 173 210 407 C +ATOM 1011 O VAL A 834 11.790 202.201 34.319 1.00 26.88 O +ANISOU 1011 O VAL A 834 3619 3866 2729 173 259 504 O +ATOM 1012 CB VAL A 834 14.209 203.823 35.231 1.00 29.01 C +ANISOU 1012 CB VAL A 834 3711 4470 2840 226 126 448 C +ATOM 1013 CG1 VAL A 834 15.297 203.265 34.339 1.00 32.35 C +ANISOU 1013 CG1 VAL A 834 4147 4811 3331 310 122 530 C +ATOM 1014 CG2 VAL A 834 14.776 204.996 36.012 1.00 31.17 C +ANISOU 1014 CG2 VAL A 834 3886 4945 3010 177 69 341 C +ATOM 1015 N HIS A 835 12.427 203.125 32.358 1.00 26.12 N +ANISOU 1015 N HIS A 835 3530 3624 2769 177 212 365 N +ATOM 1016 CA HIS A 835 11.695 202.163 31.565 1.00 26.97 C +ANISOU 1016 CA HIS A 835 3720 3569 2955 158 267 391 C +ATOM 1017 C HIS A 835 12.315 200.785 31.682 1.00 28.76 C +ANISOU 1017 C HIS A 835 4006 3724 3196 230 322 537 C +ATOM 1018 O HIS A 835 11.614 199.753 31.903 1.00 28.20 O +ANISOU 1018 O HIS A 835 4000 3567 3148 207 392 605 O +ATOM 1019 CB HIS A 835 11.644 202.615 30.110 1.00 27.51 C +ANISOU 1019 CB HIS A 835 3807 3536 3107 138 251 299 C +ATOM 1020 CG HIS A 835 10.804 201.734 29.250 1.00 27.79 C +ANISOU 1020 CG HIS A 835 3916 3434 3206 90 302 289 C +ATOM 1021 ND1 HIS A 835 11.188 200.467 28.897 1.00 28.78 N +ANISOU 1021 ND1 HIS A 835 4119 3440 3373 122 363 360 N +ATOM 1022 CD2 HIS A 835 9.599 201.935 28.665 1.00 27.86 C +ANISOU 1022 CD2 HIS A 835 3926 3416 3244 8 304 211 C +ATOM 1023 CE1 HIS A 835 10.255 199.918 28.149 1.00 29.73 C +ANISOU 1023 CE1 HIS A 835 4294 3460 3542 41 404 308 C +ATOM 1024 NE2 HIS A 835 9.277 200.788 27.996 1.00 28.39 N +ANISOU 1024 NE2 HIS A 835 4069 3361 3357 -29 362 222 N +ATOM 1025 N ARG A 836 13.654 200.761 31.554 1.00 27.54 N +ANISOU 1025 N ARG A 836 3825 3604 3035 321 300 591 N +ATOM 1026 CA ARG A 836 14.489 199.546 31.676 1.00 30.15 C +ANISOU 1026 CA ARG A 836 4193 3877 3384 429 355 747 C +ATOM 1027 C ARG A 836 14.357 198.518 30.570 1.00 31.69 C +ANISOU 1027 C ARG A 836 4497 3847 3696 443 438 752 C +ATOM 1028 O ARG A 836 15.021 197.484 30.622 1.00 31.25 O +ANISOU 1028 O ARG A 836 4485 3710 3679 543 504 878 O +ATOM 1029 CB ARG A 836 14.273 198.832 33.017 1.00 31.78 C +ANISOU 1029 CB ARG A 836 4398 4158 3518 460 390 897 C +ATOM 1030 CG ARG A 836 14.655 199.707 34.189 1.00 33.70 C +ANISOU 1030 CG ARG A 836 4526 4659 3619 460 314 902 C +ATOM 1031 CD ARG A 836 14.499 199.042 35.529 1.00 35.58 C +ANISOU 1031 CD ARG A 836 4749 5012 3755 494 343 1063 C +ATOM 1032 NE ARG A 836 15.331 197.886 35.704 1.00 38.54 N +ANISOU 1032 NE ARG A 836 5145 5348 4147 630 395 1270 N +ATOM 1033 CZ ARG A 836 14.917 196.657 36.056 1.00 38.73 C +ANISOU 1033 CZ ARG A 836 5250 5254 4209 670 493 1434 C +ATOM 1034 NH1 ARG A 836 13.642 196.352 36.287 1.00 37.11 N +ANISOU 1034 NH1 ARG A 836 5112 4965 4022 568 550 1414 N +ATOM 1035 NH2 ARG A 836 15.831 195.718 36.205 1.00 39.80 N +ANISOU 1035 NH2 ARG A 836 5395 5358 4368 820 542 1632 N +ATOM 1036 N ASP A 837 13.537 198.775 29.557 1.00 30.68 N +ANISOU 1036 N ASP A 837 4410 3621 3623 347 441 616 N +ATOM 1037 CA ASP A 837 13.429 197.824 28.432 1.00 30.28 C +ANISOU 1037 CA ASP A 837 4461 3374 3670 338 520 588 C +ATOM 1038 C ASP A 837 13.153 198.552 27.114 1.00 29.60 C +ANISOU 1038 C ASP A 837 4368 3271 3605 269 480 434 C +ATOM 1039 O ASP A 837 12.410 198.069 26.250 1.00 32.26 O +ANISOU 1039 O ASP A 837 4770 3498 3988 187 523 354 O +ATOM 1040 CB ASP A 837 12.375 196.738 28.713 1.00 31.31 C +ANISOU 1040 CB ASP A 837 4680 3373 3842 266 611 620 C +ATOM 1041 CG ASP A 837 12.537 195.484 27.810 1.00 34.32 C +ANISOU 1041 CG ASP A 837 5182 3528 4329 276 724 615 C +ATOM 1042 OD1 ASP A 837 13.495 195.372 27.003 1.00 34.23 O +ANISOU 1042 OD1 ASP A 837 5186 3463 4354 357 740 596 O +ATOM 1043 OD2 ASP A 837 11.687 194.603 27.919 1.00 37.15 O +ANISOU 1043 OD2 ASP A 837 5619 3758 4735 195 808 621 O +ATOM 1044 N LEU A 838 13.755 199.721 26.945 1.00 27.42 N +ANISOU 1044 N LEU A 838 4009 3115 3293 293 400 394 N +ATOM 1045 CA LEU A 838 13.575 200.411 25.701 1.00 27.03 C +ANISOU 1045 CA LEU A 838 3951 3057 3262 243 368 282 C +ATOM 1046 C LEU A 838 14.322 199.660 24.567 1.00 28.32 C +ANISOU 1046 C LEU A 838 4175 3111 3473 290 426 270 C +ATOM 1047 O LEU A 838 15.500 199.267 24.719 1.00 27.52 O +ANISOU 1047 O LEU A 838 4070 3002 3385 400 454 347 O +ATOM 1048 CB LEU A 838 14.023 201.844 25.853 1.00 27.70 C +ANISOU 1048 CB LEU A 838 3940 3272 3309 252 285 252 C +ATOM 1049 CG LEU A 838 13.893 202.710 24.593 1.00 29.39 C +ANISOU 1049 CG LEU A 838 4137 3487 3541 213 252 165 C +ATOM 1050 CD1 LEU A 838 12.427 202.783 24.194 1.00 32.74 C +ANISOU 1050 CD1 LEU A 838 4577 3891 3969 121 250 100 C +ATOM 1051 CD2 LEU A 838 14.490 204.100 24.828 1.00 28.83 C +ANISOU 1051 CD2 LEU A 838 3982 3516 3455 224 191 149 C +ATOM 1052 N ALA A 839 13.623 199.489 23.448 1.00 26.21 N +ANISOU 1052 N ALA A 839 3954 2780 3223 209 446 171 N +ATOM 1053 CA ALA A 839 14.108 198.802 22.274 1.00 26.36 C +ANISOU 1053 CA ALA A 839 4037 2703 3274 225 510 122 C +ATOM 1054 C ALA A 839 13.088 199.038 21.175 1.00 27.21 C +ANISOU 1054 C ALA A 839 4155 2825 3358 103 491 0 C +ATOM 1055 O ALA A 839 11.926 199.440 21.452 1.00 29.08 O +ANISOU 1055 O ALA A 839 4359 3118 3571 13 448 -28 O +ATOM 1056 CB ALA A 839 14.259 197.304 22.536 1.00 28.48 C +ANISOU 1056 CB ALA A 839 4408 2806 3606 262 626 166 C +ATOM 1057 N ALA A 840 13.471 198.793 19.930 1.00 26.86 N +ANISOU 1057 N ALA A 840 4143 2751 3308 97 525 -73 N +ATOM 1058 CA ALA A 840 12.506 199.044 18.814 1.00 27.54 C +ANISOU 1058 CA ALA A 840 4222 2895 3343 -23 498 -186 C +ATOM 1059 C ALA A 840 11.290 198.133 18.901 1.00 28.36 C +ANISOU 1059 C ALA A 840 4383 2931 3459 -150 544 -254 C +ATOM 1060 O ALA A 840 10.194 198.510 18.466 1.00 28.12 O +ANISOU 1060 O ALA A 840 4306 2997 3378 -259 493 -317 O +ATOM 1061 CB ALA A 840 13.197 198.905 17.457 1.00 27.08 C +ANISOU 1061 CB ALA A 840 4189 2842 3258 -10 532 -257 C +ATOM 1062 N ARG A 841 11.462 196.924 19.472 1.00 30.79 N +ANISOU 1062 N ARG A 841 4784 3076 3836 -136 644 -231 N +ATOM 1063 CA ARG A 841 10.321 196.007 19.661 1.00 32.39 C +ANISOU 1063 CA ARG A 841 5047 3193 4065 -272 704 -289 C +ATOM 1064 C ARG A 841 9.284 196.540 20.656 1.00 32.34 C +ANISOU 1064 C ARG A 841 4967 3280 4038 -327 638 -236 C +ATOM 1065 O ARG A 841 8.167 196.025 20.688 1.00 31.76 O +ANISOU 1065 O ARG A 841 4909 3189 3967 -464 666 -294 O +ATOM 1066 CB ARG A 841 10.773 194.581 20.091 1.00 35.58 C +ANISOU 1066 CB ARG A 841 5580 3369 4569 -236 847 -256 C +ATOM 1067 CG ARG A 841 11.407 194.591 21.477 1.00 37.11 C +ANISOU 1067 CG ARG A 841 5759 3538 4800 -96 849 -75 C +ATOM 1068 CD ARG A 841 11.943 193.262 21.985 1.00 39.55 C +ANISOU 1068 CD ARG A 841 6182 3631 5212 -20 992 8 C +ATOM 1069 NE ARG A 841 12.650 193.561 23.236 1.00 43.89 N +ANISOU 1069 NE ARG A 841 6675 4243 5756 129 956 194 N +ATOM 1070 CZ ARG A 841 13.948 193.889 23.333 1.00 44.40 C +ANISOU 1070 CZ ARG A 841 6693 4362 5813 293 934 280 C +ATOM 1071 NH1 ARG A 841 14.420 194.205 24.524 1.00 47.83 N +ANISOU 1071 NH1 ARG A 841 7059 4895 6217 395 888 435 N +ATOM 1072 NH2 ARG A 841 14.790 193.909 22.278 1.00 39.57 N +ANISOU 1072 NH2 ARG A 841 6091 3730 5213 351 957 212 N +ATOM 1073 N ASN A 842 9.683 197.504 21.485 1.00 29.12 N +ANISOU 1073 N ASN A 842 4483 2968 3612 -226 565 -134 N +ATOM 1074 CA ASN A 842 8.834 198.098 22.495 1.00 30.61 C +ANISOU 1074 CA ASN A 842 4599 3250 3778 -255 512 -87 C +ATOM 1075 C ASN A 842 8.407 199.494 22.149 1.00 29.61 C +ANISOU 1075 C ASN A 842 4364 3288 3599 -261 409 -116 C +ATOM 1076 O ASN A 842 8.013 200.247 23.029 1.00 30.22 O +ANISOU 1076 O ASN A 842 4372 3447 3660 -243 364 -73 O +ATOM 1077 CB ASN A 842 9.495 198.051 23.902 1.00 27.72 C +ANISOU 1077 CB ASN A 842 4234 2870 3428 -149 524 44 C +ATOM 1078 CG ASN A 842 9.569 196.655 24.446 1.00 31.54 C +ANISOU 1078 CG ASN A 842 4818 3195 3968 -149 635 107 C +ATOM 1079 OD1 ASN A 842 8.769 195.795 24.061 1.00 30.24 O +ANISOU 1079 OD1 ASN A 842 4717 2932 3838 -266 704 43 O +ATOM 1080 ND2 ASN A 842 10.553 196.392 25.312 1.00 33.38 N +ANISOU 1080 ND2 ASN A 842 5064 3401 4215 -20 660 237 N +ATOM 1081 N VAL A 843 8.477 199.840 20.862 1.00 28.18 N +ANISOU 1081 N VAL A 843 4166 3154 3388 -282 379 -186 N +ATOM 1082 CA VAL A 843 7.866 201.047 20.343 1.00 28.71 C +ANISOU 1082 CA VAL A 843 4132 3368 3409 -297 295 -204 C +ATOM 1083 C VAL A 843 6.770 200.585 19.374 1.00 30.44 C +ANISOU 1083 C VAL A 843 4337 3644 3582 -432 296 -298 C +ATOM 1084 O VAL A 843 6.986 199.665 18.588 1.00 31.31 O +ANISOU 1084 O VAL A 843 4520 3691 3685 -491 349 -373 O +ATOM 1085 CB VAL A 843 8.906 201.914 19.640 1.00 28.95 C +ANISOU 1085 CB VAL A 843 4138 3433 3426 -208 257 -182 C +ATOM 1086 CG1 VAL A 843 8.222 203.168 19.104 1.00 30.25 C +ANISOU 1086 CG1 VAL A 843 4203 3733 3555 -213 182 -176 C +ATOM 1087 CG2 VAL A 843 10.028 202.248 20.604 1.00 27.40 C +ANISOU 1087 CG2 VAL A 843 3947 3194 3267 -99 259 -105 C +ATOM 1088 N LEU A 844 5.567 201.166 19.466 1.00 29.17 N +ANISOU 1088 N LEU A 844 4080 3610 3392 -487 244 -301 N +ATOM 1089 CA LEU A 844 4.466 200.720 18.639 1.00 28.84 C +ANISOU 1089 CA LEU A 844 4000 3661 3294 -627 237 -387 C +ATOM 1090 C LEU A 844 4.096 201.831 17.641 1.00 28.66 C +ANISOU 1090 C LEU A 844 3865 3822 3202 -603 151 -374 C +ATOM 1091 O LEU A 844 4.269 202.996 17.927 1.00 29.45 O +ANISOU 1091 O LEU A 844 3904 3965 3321 -492 105 -291 O +ATOM 1092 CB LEU A 844 3.236 200.391 19.486 1.00 31.36 C +ANISOU 1092 CB LEU A 844 4273 4014 3625 -719 252 -391 C +ATOM 1093 CG LEU A 844 3.401 199.211 20.444 1.00 34.07 C +ANISOU 1093 CG LEU A 844 4724 4186 4033 -762 346 -386 C +ATOM 1094 CD1 LEU A 844 2.104 198.860 21.142 1.00 35.17 C +ANISOU 1094 CD1 LEU A 844 4811 4378 4175 -877 367 -394 C +ATOM 1095 CD2 LEU A 844 3.922 197.986 19.738 1.00 36.12 C +ANISOU 1095 CD2 LEU A 844 5107 4305 4310 -832 427 -469 C +ATOM 1096 N VAL A 845 3.559 201.432 16.507 1.00 29.45 N +ANISOU 1096 N VAL A 845 3937 4030 3221 -713 137 -457 N +ATOM 1097 CA VAL A 845 3.195 202.322 15.417 1.00 30.03 C +ANISOU 1097 CA VAL A 845 3901 4302 3205 -697 59 -434 C +ATOM 1098 C VAL A 845 1.677 202.525 15.287 1.00 28.89 C +ANISOU 1098 C VAL A 845 3616 4358 3002 -784 6 -440 C +ATOM 1099 O VAL A 845 0.966 201.643 14.913 1.00 30.00 O +ANISOU 1099 O VAL A 845 3744 4565 3087 -942 20 -543 O +ATOM 1100 CB VAL A 845 3.746 201.759 14.094 1.00 30.72 C +ANISOU 1100 CB VAL A 845 4042 4422 3209 -758 75 -523 C +ATOM 1101 CG1 VAL A 845 3.513 202.737 12.945 1.00 30.99 C +ANISOU 1101 CG1 VAL A 845 3961 4678 3135 -723 -5 -469 C +ATOM 1102 CG2 VAL A 845 5.232 201.483 14.263 1.00 30.13 C +ANISOU 1102 CG2 VAL A 845 4094 4155 3199 -666 138 -516 C +ATOM 1103 N LYS A 846 1.204 203.715 15.629 1.00 28.39 N +ANISOU 1103 N LYS A 846 3440 4387 2958 -677 -46 -329 N +ATOM 1104 CA LYS A 846 -0.226 204.057 15.508 1.00 30.03 C +ANISOU 1104 CA LYS A 846 3487 4807 3114 -723 -97 -308 C +ATOM 1105 C LYS A 846 -0.489 204.386 14.038 1.00 29.88 C +ANISOU 1105 C LYS A 846 3374 5012 2966 -745 -165 -298 C +ATOM 1106 O LYS A 846 -1.422 203.903 13.432 1.00 32.05 O +ANISOU 1106 O LYS A 846 3557 5479 3140 -879 -197 -362 O +ATOM 1107 CB LYS A 846 -0.563 205.277 16.388 1.00 29.77 C +ANISOU 1107 CB LYS A 846 3373 4776 3161 -573 -112 -188 C +ATOM 1108 CG LYS A 846 -2.056 205.596 16.326 1.00 34.08 C +ANISOU 1108 CG LYS A 846 3740 5544 3662 -603 -155 -158 C +ATOM 1109 CD LYS A 846 -2.407 206.917 17.017 1.00 36.33 C +ANISOU 1109 CD LYS A 846 3938 5837 4029 -431 -159 -39 C +ATOM 1110 CE LYS A 846 -3.762 207.378 16.526 1.00 41.54 C +ANISOU 1110 CE LYS A 846 4396 6759 4628 -424 -212 21 C +ATOM 1111 NZ LYS A 846 -4.241 208.678 17.069 1.00 43.95 N +ANISOU 1111 NZ LYS A 846 4600 7081 5017 -244 -203 140 N +ATOM 1112 N THR A 847 0.370 205.230 13.476 1.00 31.41 N +ANISOU 1112 N THR A 847 3585 5191 3157 -616 -186 -211 N +ATOM 1113 CA THR A 847 0.464 205.467 12.039 1.00 33.28 C +ANISOU 1113 CA THR A 847 3767 5614 3262 -626 -236 -192 C +ATOM 1114 C THR A 847 1.954 205.625 11.774 1.00 32.81 C +ANISOU 1114 C THR A 847 3836 5392 3236 -546 -199 -176 C +ATOM 1115 O THR A 847 2.739 205.815 12.714 1.00 31.24 O +ANISOU 1115 O THR A 847 3727 4978 3162 -462 -153 -150 O +ATOM 1116 CB THR A 847 -0.214 206.781 11.623 1.00 35.28 C +ANISOU 1116 CB THR A 847 3855 6063 3485 -502 -306 -24 C +ATOM 1117 OG1 THR A 847 0.565 207.870 12.121 1.00 35.43 O +ANISOU 1117 OG1 THR A 847 3919 5914 3626 -326 -282 98 O +ATOM 1118 CG2 THR A 847 -1.606 206.867 12.157 1.00 37.11 C +ANISOU 1118 CG2 THR A 847 3946 6431 3722 -528 -333 -6 C +ATOM 1119 N PRO A 848 2.376 205.579 10.498 1.00 33.38 N +ANISOU 1119 N PRO A 848 3906 5587 3188 -570 -217 -188 N +ATOM 1120 CA PRO A 848 3.798 205.780 10.218 1.00 32.63 C +ANISOU 1120 CA PRO A 848 3917 5356 3122 -490 -177 -164 C +ATOM 1121 C PRO A 848 4.342 207.085 10.747 1.00 31.97 C +ANISOU 1121 C PRO A 848 3823 5168 3154 -319 -179 -4 C +ATOM 1122 O PRO A 848 5.536 207.194 10.968 1.00 32.66 O +ANISOU 1122 O PRO A 848 4004 5095 3310 -260 -134 4 O +ATOM 1123 CB PRO A 848 3.856 205.736 8.667 1.00 35.09 C +ANISOU 1123 CB PRO A 848 4183 5893 3256 -540 -209 -177 C +ATOM 1124 CG PRO A 848 2.699 204.894 8.309 1.00 37.10 C +ANISOU 1124 CG PRO A 848 4370 6329 3396 -708 -239 -300 C +ATOM 1125 CD PRO A 848 1.619 205.308 9.283 1.00 36.36 C +ANISOU 1125 CD PRO A 848 4181 6248 3385 -680 -273 -231 C +ATOM 1126 N GLN A 849 3.482 208.066 11.012 1.00 31.81 N +ANISOU 1126 N GLN A 849 3688 5229 3166 -241 -221 115 N +ATOM 1127 CA GLN A 849 3.946 209.355 11.510 1.00 32.77 C +ANISOU 1127 CA GLN A 849 3806 5231 3411 -89 -207 252 C +ATOM 1128 C GLN A 849 3.791 209.470 13.034 1.00 31.14 C +ANISOU 1128 C GLN A 849 3632 4852 3346 -56 -173 226 C +ATOM 1129 O GLN A 849 4.046 210.520 13.572 1.00 32.38 O +ANISOU 1129 O GLN A 849 3784 4907 3610 52 -154 311 O +ATOM 1130 CB GLN A 849 3.127 210.507 10.886 1.00 37.17 C +ANISOU 1130 CB GLN A 849 4221 5961 3938 7 -254 420 C +ATOM 1131 CG GLN A 849 3.225 210.657 9.357 1.00 43.15 C +ANISOU 1131 CG GLN A 849 4922 6932 4540 1 -294 494 C +ATOM 1132 CD GLN A 849 2.354 209.644 8.620 1.00 51.22 C +ANISOU 1132 CD GLN A 849 5873 8202 5384 -143 -347 391 C +ATOM 1133 OE1 GLN A 849 2.874 209.151 7.504 1.00 52.63 O +ANISOU 1133 OE1 GLN A 849 5969 8473 5551 -201 -376 345 O +ATOM 1134 NE2 GLN A 849 1.223 209.294 9.052 1.00 56.66 N +ANISOU 1134 NE2 GLN A 849 6589 9010 5927 -217 -353 340 N +ATOM 1135 N HIS A 850 3.313 208.443 13.714 1.00 30.76 N +ANISOU 1135 N HIS A 850 3610 4779 3296 -155 -160 111 N +ATOM 1136 CA HIS A 850 3.012 208.589 15.167 1.00 29.32 C +ANISOU 1136 CA HIS A 850 3438 4475 3225 -125 -130 98 C +ATOM 1137 C HIS A 850 3.297 207.256 15.856 1.00 28.09 C +ANISOU 1137 C HIS A 850 3385 4211 3075 -229 -88 -23 C +ATOM 1138 O HIS A 850 2.529 206.292 15.703 1.00 30.26 O +ANISOU 1138 O HIS A 850 3644 4563 3290 -350 -90 -101 O +ATOM 1139 CB HIS A 850 1.558 208.995 15.387 1.00 30.66 C +ANISOU 1139 CB HIS A 850 3472 4786 3390 -113 -158 141 C +ATOM 1140 CG HIS A 850 1.227 209.332 16.812 1.00 32.70 C +ANISOU 1140 CG HIS A 850 3729 4940 3755 -66 -119 135 C +ATOM 1141 ND1 HIS A 850 0.014 209.856 17.195 1.00 35.76 N +ANISOU 1141 ND1 HIS A 850 3994 5430 4164 -24 -126 178 N +ATOM 1142 CD2 HIS A 850 1.955 209.226 17.948 1.00 32.86 C +ANISOU 1142 CD2 HIS A 850 3847 4784 3853 -52 -71 90 C +ATOM 1143 CE1 HIS A 850 0.001 210.050 18.504 1.00 34.94 C +ANISOU 1143 CE1 HIS A 850 3920 5208 4146 7 -77 148 C +ATOM 1144 NE2 HIS A 850 1.175 209.685 18.978 1.00 32.76 N +ANISOU 1144 NE2 HIS A 850 3777 4771 3899 -12 -48 96 N +ATOM 1145 N VAL A 851 4.374 207.236 16.637 1.00 27.87 N +ANISOU 1145 N VAL A 851 3455 4011 3123 -183 -47 -31 N +ATOM 1146 CA VAL A 851 4.786 206.055 17.418 1.00 25.86 C +ANISOU 1146 CA VAL A 851 3299 3634 2889 -247 1 -109 C +ATOM 1147 C VAL A 851 4.684 206.315 18.924 1.00 26.36 C +ANISOU 1147 C VAL A 851 3368 3617 3029 -206 25 -92 C +ATOM 1148 O VAL A 851 4.711 207.470 19.365 1.00 25.52 O +ANISOU 1148 O VAL A 851 3216 3506 2972 -119 14 -40 O +ATOM 1149 CB VAL A 851 6.191 205.589 17.042 1.00 26.72 C +ANISOU 1149 CB VAL A 851 3510 3641 3000 -228 33 -129 C +ATOM 1150 CG1 VAL A 851 6.201 205.256 15.538 1.00 28.86 C +ANISOU 1150 CG1 VAL A 851 3776 4011 3176 -282 19 -165 C +ATOM 1151 CG2 VAL A 851 7.309 206.567 17.404 1.00 27.91 C +ANISOU 1151 CG2 VAL A 851 3674 3718 3213 -118 34 -62 C +ATOM 1152 N LYS A 852 4.596 205.245 19.697 1.00 26.44 N +ANISOU 1152 N LYS A 852 3437 3561 3046 -271 66 -138 N +ATOM 1153 CA LYS A 852 4.483 205.351 21.148 1.00 26.17 C +ANISOU 1153 CA LYS A 852 3407 3478 3057 -244 93 -122 C +ATOM 1154 C LYS A 852 5.267 204.226 21.847 1.00 27.49 C +ANISOU 1154 C LYS A 852 3680 3525 3237 -265 146 -133 C +ATOM 1155 O LYS A 852 5.291 203.100 21.398 1.00 28.72 O +ANISOU 1155 O LYS A 852 3898 3633 3379 -337 180 -170 O +ATOM 1156 CB LYS A 852 3.019 205.258 21.614 1.00 27.20 C +ANISOU 1156 CB LYS A 852 3457 3700 3175 -306 95 -136 C +ATOM 1157 CG LYS A 852 2.050 206.285 21.035 1.00 27.81 C +ANISOU 1157 CG LYS A 852 3408 3916 3242 -272 50 -108 C +ATOM 1158 CD LYS A 852 0.655 206.131 21.685 1.00 30.70 C +ANISOU 1158 CD LYS A 852 3683 4380 3600 -326 63 -119 C +ATOM 1159 CE LYS A 852 -0.330 207.003 20.939 1.00 34.69 C +ANISOU 1159 CE LYS A 852 4046 5044 4087 -286 18 -79 C +ATOM 1160 NZ LYS A 852 -1.634 207.229 21.631 1.00 36.58 N +ANISOU 1160 NZ LYS A 852 4168 5394 4334 -292 33 -72 N +ATOM 1161 N ILE A 853 5.805 204.542 23.012 1.00 27.15 N +ANISOU 1161 N ILE A 853 3650 3442 3220 -204 159 -98 N +ATOM 1162 CA ILE A 853 6.553 203.585 23.807 1.00 27.24 C +ANISOU 1162 CA ILE A 853 3743 3366 3238 -197 205 -74 C +ATOM 1163 C ILE A 853 5.571 202.739 24.640 1.00 28.44 C +ANISOU 1163 C ILE A 853 3903 3519 3383 -275 250 -71 C +ATOM 1164 O ILE A 853 4.620 203.268 25.196 1.00 26.19 O +ANISOU 1164 O ILE A 853 3546 3316 3088 -294 240 -77 O +ATOM 1165 CB ILE A 853 7.493 204.331 24.734 1.00 27.80 C +ANISOU 1165 CB ILE A 853 3804 3441 3317 -110 192 -36 C +ATOM 1166 CG1 ILE A 853 8.541 205.075 23.892 1.00 30.41 C +ANISOU 1166 CG1 ILE A 853 4130 3761 3663 -51 160 -36 C +ATOM 1167 CG2 ILE A 853 8.172 203.391 25.735 1.00 29.39 C +ANISOU 1167 CG2 ILE A 853 4063 3594 3507 -90 234 16 C +ATOM 1168 CD1 ILE A 853 9.141 206.196 24.663 1.00 31.91 C +ANISOU 1168 CD1 ILE A 853 4278 3981 3864 3 138 -29 C +ATOM 1169 N THR A 854 5.847 201.435 24.732 1.00 28.50 N +ANISOU 1169 N THR A 854 3998 3425 3403 -314 310 -56 N +ATOM 1170 CA THR A 854 5.030 200.530 25.522 1.00 30.81 C +ANISOU 1170 CA THR A 854 4313 3695 3698 -394 369 -37 C +ATOM 1171 C THR A 854 5.920 199.570 26.327 1.00 30.53 C +ANISOU 1171 C THR A 854 4370 3547 3683 -346 434 48 C +ATOM 1172 O THR A 854 7.157 199.757 26.409 1.00 29.86 O +ANISOU 1172 O THR A 854 4307 3435 3600 -239 421 92 O +ATOM 1173 CB THR A 854 4.062 199.762 24.588 1.00 32.65 C +ANISOU 1173 CB THR A 854 4556 3912 3935 -534 396 -114 C +ATOM 1174 OG1 THR A 854 2.994 199.191 25.349 1.00 35.28 O +ANISOU 1174 OG1 THR A 854 4873 4263 4269 -633 444 -103 O +ATOM 1175 CG2 THR A 854 4.800 198.693 23.789 1.00 32.27 C +ANISOU 1175 CG2 THR A 854 4621 3718 3920 -555 453 -144 C +ATOM 1176 N ASP A 855 5.260 198.546 26.881 1.00 31.34 N +ANISOU 1176 N ASP A 855 4515 3590 3800 -426 509 79 N +ATOM 1177 CA AASP A 855 5.877 197.452 27.668 0.50 31.90 C +ANISOU 1177 CA AASP A 855 4678 3541 3900 -388 592 188 C +ATOM 1178 CA BASP A 855 5.908 197.469 27.610 0.50 31.46 C +ANISOU 1178 CA BASP A 855 4622 3483 3845 -386 590 184 C +ATOM 1179 C ASP A 855 6.680 197.916 28.845 1.00 31.49 C +ANISOU 1179 C ASP A 855 4596 3566 3801 -266 566 294 C +ATOM 1180 O ASP A 855 7.938 197.992 28.840 1.00 31.13 O +ANISOU 1180 O ASP A 855 4567 3502 3756 -151 550 346 O +ATOM 1181 CB AASP A 855 6.701 196.453 26.871 0.50 33.87 C +ANISOU 1181 CB AASP A 855 5039 3613 4216 -364 658 187 C +ATOM 1182 CB BASP A 855 6.750 196.625 26.655 0.50 32.53 C +ANISOU 1182 CB BASP A 855 4860 3456 4043 -361 643 166 C +ATOM 1183 CG AASP A 855 6.920 195.127 27.650 0.50 34.99 C +ANISOU 1183 CG AASP A 855 5281 3600 4411 -350 776 307 C +ATOM 1184 CG BASP A 855 5.969 195.435 26.131 0.50 33.41 C +ANISOU 1184 CG BASP A 855 5053 3430 4211 -504 737 106 C +ATOM 1185 OD1AASP A 855 6.596 195.033 28.883 0.50 32.38 O +ANISOU 1185 OD1AASP A 855 4929 3323 4049 -343 795 415 O +ATOM 1186 OD1BASP A 855 5.531 194.624 26.976 0.50 34.27 O +ANISOU 1186 OD1BASP A 855 5206 3466 4349 -551 818 183 O +ATOM 1187 OD2AASP A 855 7.401 194.168 27.002 0.50 38.26 O +ANISOU 1187 OD2AASP A 855 5800 3835 4901 -345 860 296 O +ATOM 1188 OD2BASP A 855 5.769 195.329 24.912 0.50 31.49 O +ANISOU 1188 OD2BASP A 855 4824 3161 3977 -580 734 -17 O +ATOM 1189 N PHE A 856 5.912 198.171 29.884 1.00 30.52 N +ANISOU 1189 N PHE A 856 4418 3547 3628 -301 568 326 N +ATOM 1190 CA PHE A 856 6.391 198.695 31.104 1.00 31.73 C +ANISOU 1190 CA PHE A 856 4524 3822 3708 -220 541 401 C +ATOM 1191 C PHE A 856 6.597 197.627 32.126 1.00 33.15 C +ANISOU 1191 C PHE A 856 4759 3963 3872 -197 619 553 C +ATOM 1192 O PHE A 856 6.663 197.937 33.289 1.00 30.32 O +ANISOU 1192 O PHE A 856 4351 3740 3428 -162 608 620 O +ATOM 1193 CB PHE A 856 5.371 199.707 31.615 1.00 32.03 C +ANISOU 1193 CB PHE A 856 4463 4012 3692 -269 504 331 C +ATOM 1194 CG PHE A 856 5.331 200.928 30.775 1.00 32.42 C +ANISOU 1194 CG PHE A 856 4452 4109 3757 -254 429 215 C +ATOM 1195 CD1 PHE A 856 6.353 201.876 30.867 1.00 32.35 C +ANISOU 1195 CD1 PHE A 856 4414 4151 3726 -164 371 198 C +ATOM 1196 CD2 PHE A 856 4.319 201.104 29.849 1.00 32.87 C +ANISOU 1196 CD2 PHE A 856 4477 4161 3851 -331 420 132 C +ATOM 1197 CE1 PHE A 856 6.330 202.990 30.051 1.00 34.81 C +ANISOU 1197 CE1 PHE A 856 4679 4480 4066 -150 316 108 C +ATOM 1198 CE2 PHE A 856 4.285 202.220 29.052 1.00 33.32 C +ANISOU 1198 CE2 PHE A 856 4475 4260 3922 -302 357 55 C +ATOM 1199 CZ PHE A 856 5.300 203.151 29.141 1.00 33.92 C +ANISOU 1199 CZ PHE A 856 4538 4357 3991 -209 311 48 C +ATOM 1200 N GLY A 857 6.732 196.381 31.691 1.00 33.53 N +ANISOU 1200 N GLY A 857 4910 3828 4002 -213 704 609 N +ATOM 1201 CA GLY A 857 6.954 195.264 32.606 1.00 36.22 C +ANISOU 1201 CA GLY A 857 5315 4097 4348 -177 798 784 C +ATOM 1202 C GLY A 857 8.173 195.332 33.505 1.00 36.32 C +ANISOU 1202 C GLY A 857 5304 4203 4293 -21 774 934 C +ATOM 1203 O GLY A 857 8.173 194.718 34.585 1.00 37.15 O +ANISOU 1203 O GLY A 857 5422 4339 4354 10 830 1097 O +ATOM 1204 N LEU A 858 9.208 196.041 33.068 1.00 33.70 N +ANISOU 1204 N LEU A 858 4931 3927 3945 70 695 889 N +ATOM 1205 CA LEU A 858 10.421 196.178 33.845 1.00 34.50 C +ANISOU 1205 CA LEU A 858 4984 4151 3970 209 659 1016 C +ATOM 1206 C LEU A 858 10.533 197.578 34.492 1.00 33.62 C +ANISOU 1206 C LEU A 858 4751 4288 3734 204 550 938 C +ATOM 1207 O LEU A 858 11.506 197.834 35.194 1.00 33.35 O +ANISOU 1207 O LEU A 858 4654 4404 3612 294 506 1018 O +ATOM 1208 CB LEU A 858 11.640 195.897 32.961 1.00 34.89 C +ANISOU 1208 CB LEU A 858 5066 4097 4092 318 662 1031 C +ATOM 1209 CG LEU A 858 11.797 194.437 32.424 1.00 37.68 C +ANISOU 1209 CG LEU A 858 5548 4191 4574 356 791 1120 C +ATOM 1210 CD1 LEU A 858 13.132 194.274 31.753 1.00 37.21 C +ANISOU 1210 CD1 LEU A 858 5494 4077 4564 494 792 1148 C +ATOM 1211 CD2 LEU A 858 11.659 193.413 33.521 1.00 42.08 C +ANISOU 1211 CD2 LEU A 858 6148 4713 5125 400 883 1329 C +ATOM 1212 N ALA A 859 9.560 198.465 34.272 1.00 30.91 N +ANISOU 1212 N ALA A 859 4369 3991 3382 101 514 782 N +ATOM 1213 CA ALA A 859 9.758 199.874 34.637 1.00 29.02 C +ANISOU 1213 CA ALA A 859 4031 3933 3060 99 426 675 C +ATOM 1214 C ALA A 859 9.683 200.095 36.149 1.00 31.18 C +ANISOU 1214 C ALA A 859 4242 4413 3192 103 420 736 C +ATOM 1215 O ALA A 859 8.982 199.366 36.841 1.00 31.51 O +ANISOU 1215 O ALA A 859 4307 4462 3201 72 483 830 O +ATOM 1216 CB ALA A 859 8.750 200.746 33.963 1.00 29.75 C +ANISOU 1216 CB ALA A 859 4101 4003 3198 12 403 510 C +ATOM 1217 N LYS A 860 10.428 201.087 36.649 1.00 30.76 N +ANISOU 1217 N LYS A 860 4107 4532 3048 130 348 679 N +ATOM 1218 CA LYS A 860 10.532 201.333 38.087 1.00 32.77 C +ANISOU 1218 CA LYS A 860 4291 5019 3139 131 335 722 C +ATOM 1219 C LYS A 860 10.386 202.813 38.321 1.00 33.57 C +ANISOU 1219 C LYS A 860 4320 5245 3190 73 284 526 C +ATOM 1220 O LYS A 860 10.950 203.641 37.569 1.00 31.26 O +ANISOU 1220 O LYS A 860 4010 4907 2959 76 235 414 O +ATOM 1221 CB LYS A 860 11.870 200.888 38.631 1.00 34.23 C +ANISOU 1221 CB LYS A 860 4439 5328 3239 230 305 871 C +ATOM 1222 CG LYS A 860 12.148 199.385 38.541 1.00 36.79 C +ANISOU 1222 CG LYS A 860 4836 5526 3616 318 374 1094 C +ATOM 1223 CD LYS A 860 11.202 198.557 39.383 1.00 39.29 C +ANISOU 1223 CD LYS A 860 5190 5851 3887 287 455 1221 C +ATOM 1224 CE LYS A 860 11.387 197.085 39.041 1.00 41.85 C +ANISOU 1224 CE LYS A 860 5614 5968 4319 362 546 1419 C +ATOM 1225 NZ LYS A 860 10.468 196.320 39.880 1.00 45.21 N +ANISOU 1225 NZ LYS A 860 6075 6397 4704 319 634 1550 N +ATOM 1226 N LEU A 861 9.674 203.131 39.392 1.00 34.81 N +ANISOU 1226 N LEU A 861 4435 5555 3234 23 306 490 N +ATOM 1227 CA LEU A 861 9.476 204.516 39.850 1.00 34.92 C +ANISOU 1227 CA LEU A 861 4383 5696 3188 -32 281 296 C +ATOM 1228 C LEU A 861 10.561 204.925 40.807 1.00 35.14 C +ANISOU 1228 C LEU A 861 4335 5959 3055 -24 229 288 C +ATOM 1229 O LEU A 861 10.794 204.267 41.827 1.00 37.52 O +ANISOU 1229 O LEU A 861 4606 6439 3208 -2 234 423 O +ATOM 1230 CB LEU A 861 8.101 204.653 40.514 1.00 36.59 C +ANISOU 1230 CB LEU A 861 4582 5964 3355 -92 345 243 C +ATOM 1231 CG LEU A 861 7.773 206.047 41.073 1.00 39.78 C +ANISOU 1231 CG LEU A 861 4925 6485 3702 -142 347 33 C +ATOM 1232 CD1 LEU A 861 7.635 207.095 39.972 1.00 37.16 C +ANISOU 1232 CD1 LEU A 861 4604 5984 3530 -146 333 -122 C +ATOM 1233 CD2 LEU A 861 6.512 205.996 41.938 1.00 42.13 C +ANISOU 1233 CD2 LEU A 861 5198 6883 3924 -186 422 11 C +ATOM 1234 N LEU A 862 11.256 206.001 40.495 1.00 33.34 N +ANISOU 1234 N LEU A 862 4070 5747 2849 -46 178 138 N +ATOM 1235 CA LEU A 862 12.287 206.515 41.379 1.00 34.25 C +ANISOU 1235 CA LEU A 862 4099 6107 2807 -68 125 93 C +ATOM 1236 C LEU A 862 11.694 207.455 42.433 1.00 34.85 C +ANISOU 1236 C LEU A 862 4128 6352 2760 -157 151 -85 C +ATOM 1237 O LEU A 862 10.771 208.218 42.149 1.00 34.35 O +ANISOU 1237 O LEU A 862 4093 6169 2789 -198 199 -238 O +ATOM 1238 CB LEU A 862 13.359 207.230 40.576 1.00 34.74 C +ANISOU 1238 CB LEU A 862 4138 6110 2950 -73 68 7 C +ATOM 1239 CG LEU A 862 14.258 206.385 39.673 1.00 36.71 C +ANISOU 1239 CG LEU A 862 4409 6255 3284 17 38 170 C +ATOM 1240 CD1 LEU A 862 15.284 207.279 38.980 1.00 36.21 C +ANISOU 1240 CD1 LEU A 862 4306 6167 3283 -7 -10 60 C +ATOM 1241 CD2 LEU A 862 14.945 205.258 40.405 1.00 39.86 C +ANISOU 1241 CD2 LEU A 862 4766 6822 3553 98 20 388 C +ATOM 1242 N GLY A 863 12.176 207.339 43.651 1.00 35.88 N +ANISOU 1242 N GLY A 863 4184 6770 2678 -178 127 -54 N +ATOM 1243 CA GLY A 863 11.870 208.305 44.694 1.00 41.18 C +ANISOU 1243 CA GLY A 863 4801 7641 3205 -274 148 -254 C +ATOM 1244 C GLY A 863 12.281 209.706 44.265 1.00 41.71 C +ANISOU 1244 C GLY A 863 4855 7633 3356 -350 135 -507 C +ATOM 1245 O GLY A 863 13.094 209.897 43.349 1.00 40.35 O +ANISOU 1245 O GLY A 863 4690 7336 3303 -333 89 -502 O +ATOM 1246 N ALA A 864 11.677 210.688 44.916 1.00 44.49 N +ANISOU 1246 N ALA A 864 5194 8050 3657 -434 190 -728 N +ATOM 1247 CA ALA A 864 11.831 212.074 44.526 1.00 46.84 C +ANISOU 1247 CA ALA A 864 5502 8226 4068 -508 213 -980 C +ATOM 1248 C ALA A 864 13.306 212.464 44.558 1.00 50.66 C +ANISOU 1248 C ALA A 864 5920 8838 4489 -571 133 -1034 C +ATOM 1249 O ALA A 864 13.756 213.160 43.681 1.00 51.55 O +ANISOU 1249 O ALA A 864 6055 8768 4761 -593 127 -1120 O +ATOM 1250 CB ALA A 864 11.023 212.981 45.439 1.00 49.92 C +ANISOU 1250 CB ALA A 864 5883 8701 4384 -586 300 -1213 C +ATOM 1251 N GLU A 865 14.071 212.003 45.525 1.00 53.10 N +ANISOU 1251 N GLU A 865 6138 9468 4566 -599 71 -969 N +ATOM 1252 CA GLU A 865 15.497 212.312 45.464 1.00 63.62 C +ANISOU 1252 CA GLU A 865 7389 10938 5844 -656 -11 -1003 C +ATOM 1253 C GLU A 865 16.319 211.024 45.400 1.00 66.50 C +ANISOU 1253 C GLU A 865 7700 11438 6129 -546 -95 -706 C +ATOM 1254 O GLU A 865 17.134 210.736 46.279 1.00 72.71 O +ANISOU 1254 O GLU A 865 8372 12559 6693 -569 -161 -647 O +ATOM 1255 CB GLU A 865 15.895 213.286 46.604 1.00 64.26 C +ANISOU 1255 CB GLU A 865 7385 11300 5728 -821 -12 -1261 C +ATOM 1256 CG GLU A 865 15.895 214.742 46.089 1.00 65.43 C +ANISOU 1256 CG GLU A 865 7580 11228 6052 -935 48 -1554 C +ATOM 1257 CD GLU A 865 15.604 215.808 47.138 1.00 63.94 C +ANISOU 1257 CD GLU A 865 7371 11183 5739 -1090 116 -1867 C +ATOM 1258 OE1 GLU A 865 15.625 217.012 46.799 1.00 62.62 O +ANISOU 1258 OE1 GLU A 865 7247 10826 5719 -1188 183 -2113 O +ATOM 1259 OE2 GLU A 865 15.339 215.453 48.287 1.00 63.46 O +ANISOU 1259 OE2 GLU A 865 7256 11415 5439 -1114 115 -1870 O +ATOM 1260 N GLU A 866 16.057 210.246 44.351 1.00 57.92 N +ANISOU 1260 N GLU A 866 6693 10090 5224 -423 -83 -520 N +ATOM 1261 CA GLU A 866 16.739 208.974 44.113 1.00 55.07 C +ANISOU 1261 CA GLU A 866 6308 9776 4841 -295 -134 -234 C +ATOM 1262 C GLU A 866 17.229 209.049 42.703 1.00 50.22 C +ANISOU 1262 C GLU A 866 5738 8898 4444 -250 -146 -214 C +ATOM 1263 O GLU A 866 16.476 209.404 41.790 1.00 48.48 O +ANISOU 1263 O GLU A 866 5616 8388 4414 -250 -93 -290 O +ATOM 1264 CB GLU A 866 15.794 207.790 44.247 1.00 57.26 C +ANISOU 1264 CB GLU A 866 6657 9975 5124 -192 -83 -25 C +ATOM 1265 CG GLU A 866 15.997 206.891 45.433 1.00 63.09 C +ANISOU 1265 CG GLU A 866 7325 11013 5633 -144 -102 169 C +ATOM 1266 CD GLU A 866 14.887 205.846 45.546 1.00 68.66 C +ANISOU 1266 CD GLU A 866 8118 11597 6371 -71 -26 348 C +ATOM 1267 OE1 GLU A 866 14.219 205.537 44.535 1.00 63.36 O +ANISOU 1267 OE1 GLU A 866 7554 10608 5910 -33 23 372 O +ATOM 1268 OE2 GLU A 866 14.657 205.331 46.661 1.00 75.53 O +ANISOU 1268 OE2 GLU A 866 8946 12703 7047 -62 -13 465 O +ATOM 1269 N LYS A 867 18.505 208.746 42.526 1.00 46.98 N +ANISOU 1269 N LYS A 867 5244 8610 3996 -211 -214 -111 N +ATOM 1270 CA LYS A 867 19.125 208.707 41.220 1.00 46.96 C +ANISOU 1270 CA LYS A 867 5267 8397 4176 -158 -224 -69 C +ATOM 1271 C LYS A 867 18.969 207.332 40.568 1.00 45.47 C +ANISOU 1271 C LYS A 867 5150 8044 4081 2 -199 181 C +ATOM 1272 O LYS A 867 18.868 207.221 39.339 1.00 45.09 O +ANISOU 1272 O LYS A 867 5181 7731 4218 46 -171 194 O +ATOM 1273 CB LYS A 867 20.636 209.018 41.352 1.00 49.54 C +ANISOU 1273 CB LYS A 867 5452 8957 4414 -193 -303 -78 C +ATOM 1274 N GLU A 868 18.988 206.281 41.382 1.00 41.97 N +ANISOU 1274 N GLU A 868 4678 7761 3506 89 -202 382 N +ATOM 1275 CA GLU A 868 19.217 204.932 40.859 1.00 42.59 C +ANISOU 1275 CA GLU A 868 4802 7715 3662 250 -176 636 C +ATOM 1276 C GLU A 868 18.180 203.926 41.320 1.00 41.79 C +ANISOU 1276 C GLU A 868 4787 7545 3547 307 -108 786 C +ATOM 1277 O GLU A 868 17.719 204.001 42.460 1.00 38.30 O +ANISOU 1277 O GLU A 868 4309 7302 2942 260 -108 784 O +ATOM 1278 CB GLU A 868 20.569 204.428 41.381 1.00 45.21 C +ANISOU 1278 CB GLU A 868 4995 8323 3860 340 -238 809 C +ATOM 1279 CG GLU A 868 21.724 205.271 40.911 1.00 48.48 C +ANISOU 1279 CG GLU A 868 5305 8827 4287 286 -303 691 C +ATOM 1280 CD GLU A 868 23.055 204.850 41.502 1.00 51.51 C +ANISOU 1280 CD GLU A 868 5518 9535 4515 367 -373 856 C +ATOM 1281 OE1 GLU A 868 23.098 204.054 42.460 1.00 52.88 O +ANISOU 1281 OE1 GLU A 868 5639 9915 4536 454 -382 1051 O +ATOM 1282 OE2 GLU A 868 24.056 205.365 40.990 1.00 55.39 O +ANISOU 1282 OE2 GLU A 868 5921 10086 5038 340 -418 791 O +ATOM 1283 N TYR A 869 17.874 202.960 40.460 1.00 37.66 N +ANISOU 1283 N TYR A 869 4371 6754 3183 401 -46 916 N +ATOM 1284 CA TYR A 869 17.207 201.732 40.867 1.00 39.81 C +ANISOU 1284 CA TYR A 869 4715 6959 3451 475 25 1118 C +ATOM 1285 C TYR A 869 18.267 200.610 40.873 1.00 40.64 C +ANISOU 1285 C TYR A 869 4788 7102 3552 644 31 1381 C +ATOM 1286 O TYR A 869 18.978 200.432 39.889 1.00 39.38 O +ANISOU 1286 O TYR A 869 4639 6803 3517 713 32 1396 O +ATOM 1287 CB TYR A 869 16.025 201.371 39.948 1.00 38.98 C +ANISOU 1287 CB TYR A 869 4757 6522 3531 447 106 1072 C +ATOM 1288 CG TYR A 869 15.459 199.988 40.235 1.00 41.77 C +ANISOU 1288 CG TYR A 869 5192 6767 3908 517 195 1289 C +ATOM 1289 CD1 TYR A 869 14.662 199.750 41.362 1.00 45.48 C +ANISOU 1289 CD1 TYR A 869 5657 7369 4254 478 228 1356 C +ATOM 1290 CD2 TYR A 869 15.768 198.901 39.427 1.00 43.64 C +ANISOU 1290 CD2 TYR A 869 5512 6775 4291 621 258 1432 C +ATOM 1291 CE1 TYR A 869 14.195 198.461 41.672 1.00 48.45 C +ANISOU 1291 CE1 TYR A 869 6108 7644 4656 537 321 1576 C +ATOM 1292 CE2 TYR A 869 15.279 197.615 39.712 1.00 45.37 C +ANISOU 1292 CE2 TYR A 869 5816 6869 4550 678 357 1633 C +ATOM 1293 CZ TYR A 869 14.507 197.400 40.831 1.00 48.13 C +ANISOU 1293 CZ TYR A 869 6159 7347 4781 635 387 1713 C +ATOM 1294 OH TYR A 869 14.044 196.130 41.091 1.00 50.01 O +ANISOU 1294 OH TYR A 869 6485 7445 5070 683 497 1922 O +ATOM 1295 N HIS A 870 18.390 199.880 41.975 1.00 42.35 N +ANISOU 1295 N HIS A 870 4956 7512 3621 718 41 1593 N +ATOM 1296 CA HIS A 870 19.326 198.745 42.043 1.00 46.60 C +ANISOU 1296 CA HIS A 870 5463 8076 4164 905 64 1879 C +ATOM 1297 C HIS A 870 18.579 197.418 41.934 1.00 46.06 C +ANISOU 1297 C HIS A 870 5539 7746 4215 987 190 2076 C +ATOM 1298 O HIS A 870 17.823 197.083 42.812 1.00 45.01 O +ANISOU 1298 O HIS A 870 5428 7684 3990 957 229 2166 O +ATOM 1299 CB HIS A 870 20.139 198.731 43.340 1.00 52.15 C +ANISOU 1299 CB HIS A 870 5997 9196 4618 962 -7 2036 C +ATOM 1300 CG HIS A 870 21.233 197.707 43.311 1.00 60.33 C +ANISOU 1300 CG HIS A 870 6976 10275 5670 1174 7 2328 C +ATOM 1301 ND1 HIS A 870 21.139 196.491 43.959 1.00 66.03 N +ANISOU 1301 ND1 HIS A 870 7724 11003 6359 1321 82 2642 N +ATOM 1302 CD2 HIS A 870 22.403 197.677 42.625 1.00 61.25 C +ANISOU 1302 CD2 HIS A 870 7020 10394 5856 1277 -23 2362 C +ATOM 1303 CE1 HIS A 870 22.227 195.781 43.727 1.00 65.97 C +ANISOU 1303 CE1 HIS A 870 7656 11012 6397 1517 94 2861 C +ATOM 1304 NE2 HIS A 870 23.008 196.476 42.918 1.00 69.31 N +ANISOU 1304 NE2 HIS A 870 8014 11441 6879 1493 29 2691 N +ATOM 1305 N ALA A 871 18.792 196.658 40.867 1.00 43.75 N +ANISOU 1305 N ALA A 871 5345 7151 4126 1080 264 2139 N +ATOM 1306 CA ALA A 871 17.933 195.498 40.627 1.00 46.30 C +ANISOU 1306 CA ALA A 871 5827 7174 4590 1110 399 2263 C +ATOM 1307 C ALA A 871 18.451 194.285 41.438 1.00 50.54 C +ANISOU 1307 C ALA A 871 6347 7774 5079 1292 465 2613 C +ATOM 1308 O ALA A 871 19.595 194.305 41.902 1.00 50.73 O +ANISOU 1308 O ALA A 871 6235 8049 4991 1419 402 2754 O +ATOM 1309 CB ALA A 871 17.888 195.197 39.133 1.00 44.40 C +ANISOU 1309 CB ALA A 871 5707 6581 4582 1116 462 2156 C +ATOM 1310 N GLU A 872 17.607 193.276 41.658 1.00 54.04 N +ANISOU 1310 N GLU A 872 6917 8016 5600 1300 590 2759 N +ATOM 1311 CA GLU A 872 18.084 191.979 42.140 1.00 60.21 C +ANISOU 1311 CA GLU A 872 7722 8747 6408 1494 690 3107 C +ATOM 1312 C GLU A 872 18.434 191.138 40.895 1.00 64.19 C +ANISOU 1312 C GLU A 872 8353 8864 7171 1597 802 3126 C +ATOM 1313 O GLU A 872 18.849 191.672 39.876 1.00 62.93 O +ANISOU 1313 O GLU A 872 8187 8627 7094 1574 757 2926 O +ATOM 1314 CB GLU A 872 17.051 191.303 43.062 1.00 63.76 C +ANISOU 1314 CB GLU A 872 8242 9173 6809 1448 783 3273 C +ATOM 1315 N GLY A 873 18.296 189.820 40.972 1.00 72.19 N +ANISOU 1315 N GLY A 873 9483 9630 8313 1710 959 3366 N +ATOM 1316 CA GLY A 873 18.345 188.991 39.770 1.00 71.26 C +ANISOU 1316 CA GLY A 873 9523 9095 8458 1762 1095 3332 C +ATOM 1317 C GLY A 873 17.103 189.191 38.911 1.00 71.08 C +ANISOU 1317 C GLY A 873 9637 8813 8554 1533 1133 3046 C +ATOM 1318 O GLY A 873 16.163 189.903 39.284 1.00 75.33 O +ANISOU 1318 O GLY A 873 10153 9480 8988 1352 1066 2903 O +ATOM 1319 N GLY A 874 17.089 188.557 37.751 1.00 70.56 N +ANISOU 1319 N GLY A 874 9709 8396 8703 1542 1245 2960 N +ATOM 1320 CA GLY A 874 16.011 188.766 36.794 1.00 67.29 C +ANISOU 1320 CA GLY A 874 9406 7766 8393 1327 1269 2677 C +ATOM 1321 C GLY A 874 16.610 188.993 35.429 1.00 66.97 C +ANISOU 1321 C GLY A 874 9389 7593 8463 1349 1259 2485 C +ATOM 1322 O GLY A 874 17.624 189.708 35.302 1.00 66.11 O +ANISOU 1322 O GLY A 874 9154 7687 8275 1442 1150 2462 O +ATOM 1323 N LYS A 875 15.986 188.346 34.436 1.00 67.77 N +ANISOU 1323 N LYS A 875 9649 7362 8739 1254 1380 2350 N +ATOM 1324 CA LYS A 875 16.335 188.453 33.023 1.00 63.14 C +ANISOU 1324 CA LYS A 875 9109 6619 8259 1240 1394 2140 C +ATOM 1325 C LYS A 875 16.144 189.877 32.579 1.00 59.88 C +ANISOU 1325 C LYS A 875 8591 6427 7731 1110 1222 1903 C +ATOM 1326 O LYS A 875 15.123 190.506 32.864 1.00 54.03 O +ANISOU 1326 O LYS A 875 7827 5786 6913 941 1153 1795 O +ATOM 1327 CB LYS A 875 15.446 187.536 32.173 1.00 64.95 C +ANISOU 1327 CB LYS A 875 9525 6489 8664 1108 1550 2015 C +ATOM 1328 N VAL A 876 17.131 190.389 31.862 1.00 57.46 N +ANISOU 1328 N VAL A 876 8220 6189 7422 1194 1164 1827 N +ATOM 1329 CA VAL A 876 17.043 191.719 31.307 1.00 55.81 C +ANISOU 1329 CA VAL A 876 7922 6152 7128 1081 1020 1610 C +ATOM 1330 C VAL A 876 17.742 191.644 29.955 1.00 51.65 C +ANISOU 1330 C VAL A 876 7430 5499 6695 1130 1056 1490 C +ATOM 1331 O VAL A 876 18.764 190.984 29.849 1.00 52.11 O +ANISOU 1331 O VAL A 876 7491 5489 6816 1308 1131 1616 O +ATOM 1332 CB VAL A 876 17.673 192.750 32.273 1.00 55.47 C +ANISOU 1332 CB VAL A 876 7705 6453 6916 1131 873 1681 C +ATOM 1333 CG1 VAL A 876 16.716 193.071 33.424 1.00 55.53 C +ANISOU 1333 CG1 VAL A 876 7683 6603 6811 1026 828 1715 C +ATOM 1334 CG2 VAL A 876 18.984 192.215 32.821 1.00 59.05 C +ANISOU 1334 CG2 VAL A 876 8087 6993 7354 1354 898 1914 C +ATOM 1335 N PRO A 877 17.165 192.258 28.904 1.00 48.31 N +ANISOU 1335 N PRO A 877 7031 5040 6281 979 1015 1256 N +ATOM 1336 CA PRO A 877 17.777 192.127 27.569 1.00 45.38 C +ANISOU 1336 CA PRO A 877 6699 4554 5987 1015 1061 1137 C +ATOM 1337 C PRO A 877 19.172 192.779 27.476 1.00 41.29 C +ANISOU 1337 C PRO A 877 6050 4221 5417 1157 988 1186 C +ATOM 1338 O PRO A 877 19.288 193.969 27.316 1.00 37.79 O +ANISOU 1338 O PRO A 877 5505 3965 4885 1092 863 1091 O +ATOM 1339 CB PRO A 877 16.773 192.818 26.643 1.00 47.61 C +ANISOU 1339 CB PRO A 877 7006 4834 6249 814 1005 902 C +ATOM 1340 CG PRO A 877 15.483 192.633 27.320 1.00 50.44 C +ANISOU 1340 CG PRO A 877 7406 5165 6595 681 1011 906 C +ATOM 1341 CD PRO A 877 15.785 192.751 28.814 1.00 51.47 C +ANISOU 1341 CD PRO A 877 7455 5451 6648 773 969 1106 C +ATOM 1342 N ILE A 878 20.206 191.960 27.569 1.00 41.44 N +ANISOU 1342 N ILE A 878 6070 4174 5498 1351 1079 1337 N +ATOM 1343 CA ILE A 878 21.588 192.416 27.731 1.00 44.03 C +ANISOU 1343 CA ILE A 878 6250 4707 5773 1506 1018 1434 C +ATOM 1344 C ILE A 878 22.109 193.357 26.630 1.00 40.37 C +ANISOU 1344 C ILE A 878 5721 4335 5283 1459 951 1262 C +ATOM 1345 O ILE A 878 22.851 194.305 26.905 1.00 39.51 O +ANISOU 1345 O ILE A 878 5460 4470 5081 1479 838 1280 O +ATOM 1346 CB ILE A 878 22.517 191.194 27.808 1.00 47.10 C +ANISOU 1346 CB ILE A 878 6668 4962 6266 1737 1161 1622 C +ATOM 1347 CG1 ILE A 878 22.230 190.368 29.080 1.00 56.76 C +ANISOU 1347 CG1 ILE A 878 7920 6148 7495 1819 1216 1857 C +ATOM 1348 CG2 ILE A 878 23.981 191.595 27.790 1.00 50.04 C +ANISOU 1348 CG2 ILE A 878 6874 5546 6591 1902 1111 1710 C +ATOM 1349 CD1 ILE A 878 22.777 190.959 30.370 1.00 59.57 C +ANISOU 1349 CD1 ILE A 878 8098 6840 7696 1891 1087 2036 C +ATOM 1350 N LYS A 879 21.722 193.090 25.393 1.00 38.33 N +ANISOU 1350 N LYS A 879 5574 3888 5100 1386 1025 1096 N +ATOM 1351 CA LYS A 879 22.245 193.860 24.255 1.00 38.11 C +ANISOU 1351 CA LYS A 879 5493 3935 5048 1354 984 951 C +ATOM 1352 C LYS A 879 21.726 195.293 24.166 1.00 35.75 C +ANISOU 1352 C LYS A 879 5119 3815 4649 1187 833 830 C +ATOM 1353 O LYS A 879 22.212 196.073 23.325 1.00 33.95 O +ANISOU 1353 O LYS A 879 4832 3675 4393 1160 789 738 O +ATOM 1354 CB LYS A 879 22.004 193.086 22.957 1.00 38.06 C +ANISOU 1354 CB LYS A 879 5628 3695 5136 1329 1117 810 C +ATOM 1355 CG LYS A 879 22.849 191.851 22.933 1.00 40.80 C +ANISOU 1355 CG LYS A 879 6028 3880 5595 1528 1276 924 C +ATOM 1356 CD LYS A 879 22.645 191.013 21.707 1.00 42.44 C +ANISOU 1356 CD LYS A 879 6384 3841 5898 1502 1428 767 C +ATOM 1357 CE LYS A 879 23.616 189.872 21.720 1.00 46.25 C +ANISOU 1357 CE LYS A 879 6907 4163 6502 1730 1597 889 C +ATOM 1358 NZ LYS A 879 23.436 189.066 20.491 1.00 49.65 N +ANISOU 1358 NZ LYS A 879 7490 4347 7025 1694 1761 703 N +ATOM 1359 N TRP A 880 20.733 195.642 24.996 1.00 32.84 N +ANISOU 1359 N TRP A 880 4754 3490 4232 1079 766 832 N +ATOM 1360 CA TRP A 880 20.217 197.001 25.084 1.00 32.47 C +ANISOU 1360 CA TRP A 880 4635 3600 4102 941 637 734 C +ATOM 1361 C TRP A 880 20.598 197.742 26.373 1.00 33.11 C +ANISOU 1361 C TRP A 880 4588 3901 4091 960 536 828 C +ATOM 1362 O TRP A 880 20.258 198.921 26.541 1.00 31.89 O +ANISOU 1362 O TRP A 880 4370 3869 3874 854 440 744 O +ATOM 1363 CB TRP A 880 18.677 197.001 24.959 1.00 33.37 C +ANISOU 1363 CB TRP A 880 4838 3618 4222 784 635 630 C +ATOM 1364 CG TRP A 880 18.201 196.828 23.564 1.00 31.94 C +ANISOU 1364 CG TRP A 880 4740 3313 4083 704 682 482 C +ATOM 1365 CD1 TRP A 880 17.764 197.805 22.736 1.00 30.86 C +ANISOU 1365 CD1 TRP A 880 4574 3244 3907 598 613 357 C +ATOM 1366 CD2 TRP A 880 18.138 195.598 22.808 1.00 33.76 C +ANISOU 1366 CD2 TRP A 880 5093 3339 4395 723 813 443 C +ATOM 1367 NE1 TRP A 880 17.446 197.274 21.507 1.00 30.72 N +ANISOU 1367 NE1 TRP A 880 4640 3111 3920 547 681 245 N +ATOM 1368 CE2 TRP A 880 17.661 195.927 21.523 1.00 32.39 C +ANISOU 1368 CE2 TRP A 880 4950 3151 4206 612 806 278 C +ATOM 1369 CE3 TRP A 880 18.468 194.271 23.084 1.00 37.05 C +ANISOU 1369 CE3 TRP A 880 5597 3582 4898 825 944 532 C +ATOM 1370 CZ2 TRP A 880 17.492 194.971 20.525 1.00 35.26 C +ANISOU 1370 CZ2 TRP A 880 5426 3349 4623 582 920 175 C +ATOM 1371 CZ3 TRP A 880 18.275 193.324 22.123 1.00 39.68 C +ANISOU 1371 CZ3 TRP A 880 6053 3714 5308 800 1069 431 C +ATOM 1372 CH2 TRP A 880 17.784 193.681 20.847 1.00 38.73 C +ANISOU 1372 CH2 TRP A 880 5960 3599 5156 669 1055 239 C +ATOM 1373 N MET A 881 21.312 197.076 27.267 1.00 34.71 N +ANISOU 1373 N MET A 881 4748 4159 4281 1097 563 999 N +ATOM 1374 CA MET A 881 21.575 197.573 28.607 1.00 36.09 C +ANISOU 1374 CA MET A 881 4806 4558 4347 1109 477 1095 C +ATOM 1375 C MET A 881 22.869 198.378 28.675 1.00 35.68 C +ANISOU 1375 C MET A 881 4594 4730 4232 1157 400 1110 C +ATOM 1376 O MET A 881 23.887 198.042 28.026 1.00 34.04 O +ANISOU 1376 O MET A 881 4352 4512 4070 1269 443 1153 O +ATOM 1377 CB MET A 881 21.710 196.392 29.584 1.00 37.66 C +ANISOU 1377 CB MET A 881 5025 4735 4548 1241 545 1303 C +ATOM 1378 CG MET A 881 20.387 195.742 30.027 1.00 39.24 C +ANISOU 1378 CG MET A 881 5350 4783 4775 1167 602 1319 C +ATOM 1379 SD MET A 881 20.696 194.131 30.787 1.00 43.56 S +ANISOU 1379 SD MET A 881 5955 5216 5378 1351 732 1586 S +ATOM 1380 CE MET A 881 21.623 194.540 32.271 1.00 45.18 C +ANISOU 1380 CE MET A 881 5970 5781 5415 1458 628 1781 C +ATOM 1381 N ALA A 882 22.844 199.415 29.505 1.00 34.10 N +ANISOU 1381 N ALA A 882 4291 4739 3924 1068 294 1073 N +ATOM 1382 CA ALA A 882 24.061 200.147 29.781 1.00 34.78 C +ANISOU 1382 CA ALA A 882 4212 5065 3936 1090 219 1091 C +ATOM 1383 C ALA A 882 25.066 199.283 30.482 1.00 36.41 C +ANISOU 1383 C ALA A 882 4328 5404 4103 1267 238 1299 C +ATOM 1384 O ALA A 882 24.713 198.373 31.229 1.00 37.12 O +ANISOU 1384 O ALA A 882 4461 5461 4179 1348 281 1442 O +ATOM 1385 CB ALA A 882 23.760 201.362 30.595 1.00 34.67 C +ANISOU 1385 CB ALA A 882 4120 5233 3817 946 118 991 C +ATOM 1386 N LEU A 883 26.346 199.562 30.259 1.00 36.82 N +ANISOU 1386 N LEU A 883 4240 5617 4133 1333 210 1333 N +ATOM 1387 CA LEU A 883 27.384 198.762 30.862 1.00 39.31 C +ANISOU 1387 CA LEU A 883 4441 6084 4408 1523 227 1548 C +ATOM 1388 C LEU A 883 27.271 198.703 32.382 1.00 38.56 C +ANISOU 1388 C LEU A 883 4264 6217 4169 1531 161 1672 C +ATOM 1389 O LEU A 883 27.418 197.620 32.974 1.00 38.65 O +ANISOU 1389 O LEU A 883 4279 6230 4176 1696 216 1887 O +ATOM 1390 CB LEU A 883 28.768 199.277 30.469 1.00 42.30 C +ANISOU 1390 CB LEU A 883 4646 6661 4763 1563 188 1548 C +ATOM 1391 CG LEU A 883 29.937 198.443 30.956 1.00 44.84 C +ANISOU 1391 CG LEU A 883 4826 7157 5052 1784 210 1781 C +ATOM 1392 CD1 LEU A 883 29.819 196.968 30.561 1.00 45.92 C +ANISOU 1392 CD1 LEU A 883 5094 7028 5323 1990 360 1932 C +ATOM 1393 CD2 LEU A 883 31.223 199.017 30.417 1.00 49.13 C +ANISOU 1393 CD2 LEU A 883 5194 7889 5581 1800 177 1754 C +ATOM 1394 N GLU A 884 26.966 199.834 33.027 1.00 37.58 N +ANISOU 1394 N GLU A 884 4073 6276 3927 1355 56 1541 N +ATOM 1395 CA GLU A 884 26.807 199.847 34.487 1.00 38.38 C +ANISOU 1395 CA GLU A 884 4094 6622 3864 1341 -7 1633 C +ATOM 1396 C GLU A 884 25.618 199.002 34.973 1.00 39.06 C +ANISOU 1396 C GLU A 884 4332 6535 3971 1366 60 1719 C +ATOM 1397 O GLU A 884 25.592 198.546 36.120 1.00 37.72 O +ANISOU 1397 O GLU A 884 4110 6537 3683 1427 44 1882 O +ATOM 1398 CB GLU A 884 26.705 201.276 35.083 1.00 39.21 C +ANISOU 1398 CB GLU A 884 4105 6953 3839 1132 -120 1441 C +ATOM 1399 CG GLU A 884 25.419 202.082 34.804 1.00 37.13 C +ANISOU 1399 CG GLU A 884 3978 6501 3626 948 -116 1220 C +ATOM 1400 CD GLU A 884 25.417 202.765 33.428 1.00 36.19 C +ANISOU 1400 CD GLU A 884 3919 6183 3647 872 -95 1052 C +ATOM 1401 OE1 GLU A 884 24.462 203.515 33.120 1.00 35.10 O +ANISOU 1401 OE1 GLU A 884 3872 5907 3555 735 -95 883 O +ATOM 1402 OE2 GLU A 884 26.381 202.556 32.637 1.00 37.24 O +ANISOU 1402 OE2 GLU A 884 4000 6305 3842 956 -75 1099 O +ATOM 1403 N SER A 885 24.648 198.795 34.099 1.00 35.64 N +ANISOU 1403 N SER A 885 4078 5782 3680 1312 135 1614 N +ATOM 1404 CA SER A 885 23.499 197.982 34.469 1.00 36.64 C +ANISOU 1404 CA SER A 885 4348 5731 3841 1315 209 1683 C +ATOM 1405 C SER A 885 23.884 196.526 34.393 1.00 38.12 C +ANISOU 1405 C SER A 885 4589 5777 4116 1520 322 1914 C +ATOM 1406 O SER A 885 23.475 195.756 35.242 1.00 40.67 O +ANISOU 1406 O SER A 885 4949 6098 4406 1580 366 2083 O +ATOM 1407 CB SER A 885 22.322 198.244 33.531 1.00 34.13 C +ANISOU 1407 CB SER A 885 4186 5140 3639 1178 250 1488 C +ATOM 1408 OG SER A 885 21.956 199.601 33.553 1.00 33.05 O +ANISOU 1408 OG SER A 885 4005 5106 3444 1010 161 1287 O +ATOM 1409 N ILE A 886 24.711 196.166 33.407 1.00 38.04 N +ANISOU 1409 N ILE A 886 4579 5656 4217 1632 376 1929 N +ATOM 1410 CA ILE A 886 25.224 194.806 33.280 1.00 40.16 C +ANISOU 1410 CA ILE A 886 4892 5778 4586 1850 500 2146 C +ATOM 1411 C ILE A 886 26.116 194.482 34.452 1.00 43.30 C +ANISOU 1411 C ILE A 886 5127 6466 4859 2011 461 2403 C +ATOM 1412 O ILE A 886 25.934 193.470 35.090 1.00 45.41 O +ANISOU 1412 O ILE A 886 5442 6668 5141 2138 540 2621 O +ATOM 1413 CB ILE A 886 26.025 194.577 31.987 1.00 41.30 C +ANISOU 1413 CB ILE A 886 5050 5778 4863 1944 569 2093 C +ATOM 1414 CG1 ILE A 886 25.132 194.803 30.770 1.00 40.09 C +ANISOU 1414 CG1 ILE A 886 5058 5351 4821 1791 613 1853 C +ATOM 1415 CG2 ILE A 886 26.578 193.157 31.926 1.00 44.17 C +ANISOU 1415 CG2 ILE A 886 5460 5980 5342 2189 716 2320 C +ATOM 1416 CD1 ILE A 886 25.892 194.829 29.464 1.00 41.32 C +ANISOU 1416 CD1 ILE A 886 5213 5416 5070 1845 663 1762 C +ATOM 1417 N LEU A 887 27.077 195.338 34.750 1.00 44.39 N +ANISOU 1417 N LEU A 887 5064 6934 4866 2002 340 2384 N +ATOM 1418 CA LEU A 887 28.080 195.025 35.783 1.00 45.75 C +ANISOU 1418 CA LEU A 887 5046 7434 4903 2167 293 2637 C +ATOM 1419 C LEU A 887 27.573 195.209 37.210 1.00 45.79 C +ANISOU 1419 C LEU A 887 4993 7687 4716 2100 216 2722 C +ATOM 1420 O LEU A 887 28.006 194.515 38.127 1.00 47.45 O +ANISOU 1420 O LEU A 887 5113 8077 4836 2264 223 2994 O +ATOM 1421 CB LEU A 887 29.299 195.926 35.600 1.00 46.36 C +ANISOU 1421 CB LEU A 887 4907 7812 4893 2150 186 2566 C +ATOM 1422 CG LEU A 887 30.053 195.822 34.287 1.00 47.71 C +ANISOU 1422 CG LEU A 887 5080 7829 5216 2231 251 2506 C +ATOM 1423 CD1 LEU A 887 31.104 196.924 34.234 1.00 48.51 C +ANISOU 1423 CD1 LEU A 887 4962 8260 5209 2151 129 2407 C +ATOM 1424 CD2 LEU A 887 30.699 194.453 34.160 1.00 50.80 C +ANISOU 1424 CD2 LEU A 887 5477 8108 5715 2524 382 2774 C +ATOM 1425 N HIS A 888 26.669 196.163 37.426 1.00 44.16 N +ANISOU 1425 N HIS A 888 4830 7508 4438 1866 145 2497 N +ATOM 1426 CA HIS A 888 26.291 196.533 38.791 1.00 46.32 C +ANISOU 1426 CA HIS A 888 5024 8074 4501 1782 62 2536 C +ATOM 1427 C HIS A 888 24.798 196.540 39.081 1.00 45.82 C +ANISOU 1427 C HIS A 888 5124 7834 4449 1642 102 2444 C +ATOM 1428 O HIS A 888 24.390 196.789 40.215 1.00 46.83 O +ANISOU 1428 O HIS A 888 5200 8191 4402 1573 50 2474 O +ATOM 1429 CB HIS A 888 26.894 197.898 39.144 1.00 47.33 C +ANISOU 1429 CB HIS A 888 4967 8555 4461 1628 -86 2355 C +ATOM 1430 CG HIS A 888 28.388 197.929 39.064 1.00 50.38 C +ANISOU 1430 CG HIS A 888 5150 9196 4796 1748 -139 2459 C +ATOM 1431 ND1 HIS A 888 29.073 198.740 38.181 1.00 51.47 N +ANISOU 1431 ND1 HIS A 888 5220 9342 4993 1672 -179 2277 N +ATOM 1432 CD2 HIS A 888 29.326 197.211 39.714 1.00 53.93 C +ANISOU 1432 CD2 HIS A 888 5443 9900 5148 1950 -152 2742 C +ATOM 1433 CE1 HIS A 888 30.373 198.543 38.317 1.00 52.54 C +ANISOU 1433 CE1 HIS A 888 5156 9740 5063 1808 -218 2430 C +ATOM 1434 NE2 HIS A 888 30.550 197.616 39.237 1.00 55.96 N +ANISOU 1434 NE2 HIS A 888 5529 10331 5401 1985 -205 2716 N +ATOM 1435 N ARG A 889 23.986 196.258 38.069 1.00 44.53 N +ANISOU 1435 N ARG A 889 5150 7288 4481 1597 195 2330 N +ATOM 1436 CA ARG A 889 22.552 196.183 38.229 1.00 43.95 C +ANISOU 1436 CA ARG A 889 5227 7035 4438 1469 243 2248 C +ATOM 1437 C ARG A 889 21.994 197.539 38.601 1.00 41.71 C +ANISOU 1437 C ARG A 889 4893 6921 4033 1259 141 2006 C +ATOM 1438 O ARG A 889 20.966 197.627 39.229 1.00 42.14 O +ANISOU 1438 O ARG A 889 5000 6981 4028 1162 151 1972 O +ATOM 1439 CB ARG A 889 22.177 195.077 39.245 1.00 47.88 C +ANISOU 1439 CB ARG A 889 5760 7546 4884 1575 317 2521 C +ATOM 1440 CG ARG A 889 22.810 193.748 38.862 1.00 52.65 C +ANISOU 1440 CG ARG A 889 6417 7956 5630 1803 437 2769 C +ATOM 1441 CD ARG A 889 22.117 192.520 39.456 1.00 59.30 C +ANISOU 1441 CD ARG A 889 7379 8632 6519 1881 565 3006 C +ATOM 1442 NE ARG A 889 21.946 192.639 40.894 1.00 64.51 N +ANISOU 1442 NE ARG A 889 7938 9615 6958 1871 505 3156 N +ATOM 1443 CZ ARG A 889 22.582 191.934 41.834 1.00 75.62 C +ANISOU 1443 CZ ARG A 889 9251 11219 8260 2055 520 3480 C +ATOM 1444 NH1 ARG A 889 23.480 191.001 41.518 1.00 75.88 N +ANISOU 1444 NH1 ARG A 889 9277 11144 8407 2291 603 3712 N +ATOM 1445 NH2 ARG A 889 22.298 192.164 43.123 1.00 76.68 N +ANISOU 1445 NH2 ARG A 889 9294 11673 8165 2009 457 3580 N +ATOM 1446 N ILE A 890 22.655 198.596 38.145 1.00 42.00 N +ANISOU 1446 N ILE A 890 4836 7071 4052 1186 56 1830 N +ATOM 1447 CA ILE A 890 22.213 199.973 38.373 1.00 41.63 C +ANISOU 1447 CA ILE A 890 4749 7146 3922 988 -24 1579 C +ATOM 1448 C ILE A 890 21.487 200.510 37.138 1.00 40.06 C +ANISOU 1448 C ILE A 890 4675 6653 3892 882 7 1363 C +ATOM 1449 O ILE A 890 21.985 200.428 36.003 1.00 38.81 O +ANISOU 1449 O ILE A 890 4545 6336 3863 927 31 1335 O +ATOM 1450 CB ILE A 890 23.428 200.860 38.718 1.00 45.81 C +ANISOU 1450 CB ILE A 890 5087 7998 4320 956 -132 1521 C +ATOM 1451 CG1 ILE A 890 23.962 200.503 40.117 1.00 51.12 C +ANISOU 1451 CG1 ILE A 890 5615 9035 4773 1025 -184 1710 C +ATOM 1452 CG2 ILE A 890 23.069 202.327 38.698 1.00 44.88 C +ANISOU 1452 CG2 ILE A 890 4951 7933 4169 749 -192 1235 C +ATOM 1453 CD1 ILE A 890 25.407 200.912 40.317 1.00 56.08 C +ANISOU 1453 CD1 ILE A 890 6036 9980 5289 1055 -276 1738 C +ATOM 1454 N TYR A 891 20.289 201.049 37.368 1.00 38.18 N +ANISOU 1454 N TYR A 891 4505 6357 3643 747 12 1220 N +ATOM 1455 CA TYR A 891 19.495 201.657 36.319 1.00 35.64 C +ANISOU 1455 CA TYR A 891 4281 5801 3458 645 33 1026 C +ATOM 1456 C TYR A 891 19.111 203.086 36.691 1.00 34.46 C +ANISOU 1456 C TYR A 891 4082 5769 3240 491 -25 811 C +ATOM 1457 O TYR A 891 18.759 203.391 37.857 1.00 33.83 O +ANISOU 1457 O TYR A 891 3953 5880 3020 434 -48 791 O +ATOM 1458 CB TYR A 891 18.236 200.835 36.108 1.00 36.48 C +ANISOU 1458 CB TYR A 891 4529 5679 3651 640 120 1065 C +ATOM 1459 CG TYR A 891 18.513 199.408 35.676 1.00 36.69 C +ANISOU 1459 CG TYR A 891 4633 5534 3773 777 204 1254 C +ATOM 1460 CD1 TYR A 891 18.841 198.447 36.599 1.00 37.86 C +ANISOU 1460 CD1 TYR A 891 4759 5775 3851 890 237 1479 C +ATOM 1461 CD2 TYR A 891 18.427 199.037 34.339 1.00 34.27 C +ANISOU 1461 CD2 TYR A 891 4424 4970 3627 793 261 1203 C +ATOM 1462 CE1 TYR A 891 19.100 197.135 36.221 1.00 39.92 C +ANISOU 1462 CE1 TYR A 891 5100 5847 4220 1026 335 1657 C +ATOM 1463 CE2 TYR A 891 18.665 197.734 33.949 1.00 36.35 C +ANISOU 1463 CE2 TYR A 891 4769 5054 3987 911 357 1350 C +ATOM 1464 CZ TYR A 891 19.002 196.797 34.876 1.00 39.67 C +ANISOU 1464 CZ TYR A 891 5174 5538 4359 1031 399 1575 C +ATOM 1465 OH TYR A 891 19.229 195.516 34.456 1.00 41.72 O +ANISOU 1465 OH TYR A 891 5528 5584 4741 1155 514 1719 O +ATOM 1466 N THR A 892 19.141 203.940 35.679 1.00 32.77 N +ANISOU 1466 N THR A 892 3888 5431 3132 426 -36 654 N +ATOM 1467 CA THR A 892 18.861 205.339 35.829 1.00 31.57 C +ANISOU 1467 CA THR A 892 3701 5332 2958 292 -72 448 C +ATOM 1468 C THR A 892 18.241 205.825 34.530 1.00 30.21 C +ANISOU 1468 C THR A 892 3618 4910 2948 252 -40 337 C +ATOM 1469 O THR A 892 18.151 205.100 33.519 1.00 29.17 O +ANISOU 1469 O THR A 892 3561 4599 2923 317 -2 405 O +ATOM 1470 CB THR A 892 20.165 206.164 36.021 1.00 33.62 C +ANISOU 1470 CB THR A 892 3831 5791 3151 252 -138 385 C +ATOM 1471 OG1 THR A 892 20.949 206.031 34.841 1.00 33.19 O +ANISOU 1471 OG1 THR A 892 3778 5623 3208 307 -133 420 O +ATOM 1472 CG2 THR A 892 20.976 205.738 37.225 1.00 35.06 C +ANISOU 1472 CG2 THR A 892 3891 6275 3153 293 -186 502 C +ATOM 1473 N HIS A 893 17.856 207.091 34.516 1.00 29.55 N +ANISOU 1473 N HIS A 893 3524 4818 2883 147 -52 162 N +ATOM 1474 CA HIS A 893 17.418 207.698 33.251 1.00 27.71 C +ANISOU 1474 CA HIS A 893 3354 4377 2796 118 -29 75 C +ATOM 1475 C HIS A 893 18.509 207.631 32.229 1.00 27.45 C +ANISOU 1475 C HIS A 893 3302 4300 2827 160 -41 116 C +ATOM 1476 O HIS A 893 18.250 207.441 31.032 1.00 27.09 O +ANISOU 1476 O HIS A 893 3322 4083 2886 188 -13 128 O +ATOM 1477 CB HIS A 893 16.945 209.140 33.495 1.00 29.71 C +ANISOU 1477 CB HIS A 893 3591 4627 3066 12 -27 -104 C +ATOM 1478 CG HIS A 893 15.798 209.220 34.446 1.00 30.04 C +ANISOU 1478 CG HIS A 893 3652 4711 3051 -21 -2 -156 C +ATOM 1479 ND1 HIS A 893 14.599 208.568 34.217 1.00 30.45 N +ANISOU 1479 ND1 HIS A 893 3773 4651 3143 10 37 -104 N +ATOM 1480 CD2 HIS A 893 15.690 209.786 35.673 1.00 31.43 C +ANISOU 1480 CD2 HIS A 893 3776 5048 3115 -87 -5 -251 C +ATOM 1481 CE1 HIS A 893 13.799 208.762 35.250 1.00 28.41 C +ANISOU 1481 CE1 HIS A 893 3504 4481 2809 -28 59 -158 C +ATOM 1482 NE2 HIS A 893 14.425 209.509 36.127 1.00 29.71 N +ANISOU 1482 NE2 HIS A 893 3600 4806 2881 -84 36 -252 N +ATOM 1483 N GLN A 894 19.756 207.765 32.683 1.00 28.75 N +ANISOU 1483 N GLN A 894 3364 4640 2917 164 -82 139 N +ATOM 1484 CA GLN A 894 20.910 207.720 31.771 1.00 29.81 C +ANISOU 1484 CA GLN A 894 3457 4763 3103 205 -90 182 C +ATOM 1485 C GLN A 894 21.223 206.306 31.246 1.00 30.68 C +ANISOU 1485 C GLN A 894 3606 4808 3243 345 -58 347 C +ATOM 1486 O GLN A 894 21.767 206.157 30.147 1.00 30.28 O +ANISOU 1486 O GLN A 894 3567 4667 3270 388 -36 369 O +ATOM 1487 CB GLN A 894 22.114 208.410 32.432 1.00 32.83 C +ANISOU 1487 CB GLN A 894 3700 5375 3398 145 -145 139 C +ATOM 1488 CG GLN A 894 21.843 209.906 32.717 1.00 33.13 C +ANISOU 1488 CG GLN A 894 3722 5420 3446 -10 -153 -56 C +ATOM 1489 CD GLN A 894 21.341 210.636 31.458 1.00 33.27 C +ANISOU 1489 CD GLN A 894 3825 5195 3620 -44 -109 -128 C +ATOM 1490 OE1 GLN A 894 20.146 210.952 31.319 1.00 32.88 O +ANISOU 1490 OE1 GLN A 894 3862 5002 3629 -62 -75 -186 O +ATOM 1491 NE2 GLN A 894 22.228 210.839 30.510 1.00 32.76 N +ANISOU 1491 NE2 GLN A 894 3728 5098 3618 -39 -106 -105 N +ATOM 1492 N SER A 895 20.872 205.255 31.988 1.00 29.65 N +ANISOU 1492 N SER A 895 3500 4707 3056 418 -40 464 N +ATOM 1493 CA SER A 895 20.908 203.916 31.391 1.00 29.63 C +ANISOU 1493 CA SER A 895 3572 4568 3118 542 20 599 C +ATOM 1494 C SER A 895 19.837 203.729 30.319 1.00 30.84 C +ANISOU 1494 C SER A 895 3856 4478 3383 512 73 536 C +ATOM 1495 O SER A 895 20.058 203.037 29.332 1.00 30.24 O +ANISOU 1495 O SER A 895 3837 4267 3385 576 122 574 O +ATOM 1496 CB SER A 895 20.924 202.811 32.458 1.00 32.99 C +ANISOU 1496 CB SER A 895 3989 5078 3466 636 38 766 C +ATOM 1497 OG SER A 895 19.749 202.759 33.204 1.00 33.27 O +ANISOU 1497 OG SER A 895 4079 5102 3461 575 48 747 O +ATOM 1498 N ASP A 896 18.674 204.350 30.495 1.00 30.87 N +ANISOU 1498 N ASP A 896 3899 4438 3390 414 65 433 N +ATOM 1499 CA ASP A 896 17.664 204.355 29.460 1.00 29.33 C +ANISOU 1499 CA ASP A 896 3798 4061 3285 373 100 366 C +ATOM 1500 C ASP A 896 18.200 205.056 28.192 1.00 28.08 C +ANISOU 1500 C ASP A 896 3629 3846 3193 359 91 300 C +ATOM 1501 O ASP A 896 17.853 204.651 27.096 1.00 24.86 O +ANISOU 1501 O ASP A 896 3290 3307 2847 368 126 291 O +ATOM 1502 CB ASP A 896 16.359 205.054 29.914 1.00 27.99 C +ANISOU 1502 CB ASP A 896 3644 3886 3104 281 90 272 C +ATOM 1503 CG ASP A 896 15.370 204.121 30.671 1.00 30.79 C +ANISOU 1503 CG ASP A 896 4048 4221 3426 281 128 334 C +ATOM 1504 OD1 ASP A 896 15.592 202.868 30.778 1.00 28.96 O +ANISOU 1504 OD1 ASP A 896 3859 3944 3197 349 172 454 O +ATOM 1505 OD2 ASP A 896 14.361 204.697 31.153 1.00 29.80 O +ANISOU 1505 OD2 ASP A 896 3919 4122 3282 213 125 261 O +ATOM 1506 N VAL A 897 19.019 206.110 28.351 1.00 27.13 N +ANISOU 1506 N VAL A 897 3422 3833 3051 324 47 252 N +ATOM 1507 CA VAL A 897 19.610 206.785 27.196 1.00 26.16 C +ANISOU 1507 CA VAL A 897 3284 3666 2989 307 47 209 C +ATOM 1508 C VAL A 897 20.541 205.824 26.410 1.00 26.28 C +ANISOU 1508 C VAL A 897 3304 3656 3025 405 82 296 C +ATOM 1509 O VAL A 897 20.561 205.843 25.178 1.00 25.49 O +ANISOU 1509 O VAL A 897 3243 3462 2979 409 110 275 O +ATOM 1510 CB VAL A 897 20.367 208.072 27.634 1.00 26.42 C +ANISOU 1510 CB VAL A 897 3219 3817 3000 233 5 139 C +ATOM 1511 CG1 VAL A 897 21.239 208.598 26.508 1.00 27.56 C +ANISOU 1511 CG1 VAL A 897 3334 3936 3201 225 14 131 C +ATOM 1512 CG2 VAL A 897 19.396 209.142 28.057 1.00 26.89 C +ANISOU 1512 CG2 VAL A 897 3295 3844 3075 140 -1 29 C +ATOM 1513 N TRP A 898 21.294 204.985 27.102 1.00 27.19 N +ANISOU 1513 N TRP A 898 3376 3858 3094 491 86 396 N +ATOM 1514 CA TRP A 898 22.062 203.908 26.397 1.00 27.92 C +ANISOU 1514 CA TRP A 898 3487 3899 3222 610 143 485 C +ATOM 1515 C TRP A 898 21.147 203.055 25.540 1.00 28.50 C +ANISOU 1515 C TRP A 898 3694 3776 3359 623 210 469 C +ATOM 1516 O TRP A 898 21.386 202.871 24.358 1.00 29.14 O +ANISOU 1516 O TRP A 898 3811 3776 3485 642 252 441 O +ATOM 1517 CB TRP A 898 22.818 203.044 27.375 1.00 28.88 C +ANISOU 1517 CB TRP A 898 3547 4132 3291 722 148 621 C +ATOM 1518 CG TRP A 898 23.684 202.006 26.757 1.00 29.11 C +ANISOU 1518 CG TRP A 898 3582 4110 3367 865 218 719 C +ATOM 1519 CD1 TRP A 898 23.294 200.982 25.931 1.00 29.57 C +ANISOU 1519 CD1 TRP A 898 3763 3968 3504 924 310 729 C +ATOM 1520 CD2 TRP A 898 25.104 201.866 26.906 1.00 29.50 C +ANISOU 1520 CD2 TRP A 898 3504 4313 3389 968 212 813 C +ATOM 1521 NE1 TRP A 898 24.363 200.259 25.537 1.00 30.63 N +ANISOU 1521 NE1 TRP A 898 3865 4102 3671 1063 370 814 N +ATOM 1522 CE2 TRP A 898 25.489 200.753 26.139 1.00 31.34 C +ANISOU 1522 CE2 TRP A 898 3796 4414 3697 1104 311 881 C +ATOM 1523 CE3 TRP A 898 26.079 202.563 27.627 1.00 29.24 C +ANISOU 1523 CE3 TRP A 898 3306 4528 3274 954 137 839 C +ATOM 1524 CZ2 TRP A 898 26.830 200.328 26.050 1.00 31.45 C +ANISOU 1524 CZ2 TRP A 898 3703 4533 3713 1248 340 989 C +ATOM 1525 CZ3 TRP A 898 27.395 202.138 27.564 1.00 30.84 C +ANISOU 1525 CZ3 TRP A 898 3391 4859 3467 1082 153 950 C +ATOM 1526 CH2 TRP A 898 27.766 201.040 26.780 1.00 32.23 C +ANISOU 1526 CH2 TRP A 898 3622 4897 3724 1238 255 1031 C +ATOM 1527 N SER A 899 20.061 202.547 26.123 1.00 27.95 N +ANISOU 1527 N SER A 899 3695 3641 3284 598 224 477 N +ATOM 1528 CA SER A 899 19.080 201.769 25.360 1.00 27.97 C +ANISOU 1528 CA SER A 899 3818 3468 3341 576 286 442 C +ATOM 1529 C SER A 899 18.505 202.534 24.163 1.00 25.60 C +ANISOU 1529 C SER A 899 3542 3120 3065 489 271 327 C +ATOM 1530 O SER A 899 18.260 201.955 23.102 1.00 26.51 O +ANISOU 1530 O SER A 899 3728 3130 3214 485 322 289 O +ATOM 1531 CB SER A 899 17.944 201.357 26.289 1.00 27.81 C +ANISOU 1531 CB SER A 899 3845 3419 3303 533 293 460 C +ATOM 1532 OG SER A 899 18.456 200.670 27.431 1.00 28.70 O +ANISOU 1532 OG SER A 899 3931 3594 3379 618 308 591 O +ATOM 1533 N TYR A 900 18.286 203.843 24.345 1.00 26.92 N +ANISOU 1533 N TYR A 900 3648 3368 3212 418 205 272 N +ATOM 1534 CA TYR A 900 17.809 204.703 23.279 1.00 27.17 C +ANISOU 1534 CA TYR A 900 3686 3369 3265 353 189 196 C +ATOM 1535 C TYR A 900 18.768 204.719 22.097 1.00 26.28 C +ANISOU 1535 C TYR A 900 3564 3252 3169 389 214 198 C +ATOM 1536 O TYR A 900 18.337 204.602 20.929 1.00 26.87 O +ANISOU 1536 O TYR A 900 3686 3272 3252 364 237 157 O +ATOM 1537 CB TYR A 900 17.590 206.134 23.805 1.00 26.74 C +ANISOU 1537 CB TYR A 900 3568 3385 3207 291 133 152 C +ATOM 1538 CG TYR A 900 17.187 207.121 22.753 1.00 26.99 C +ANISOU 1538 CG TYR A 900 3598 3385 3271 243 123 106 C +ATOM 1539 CD1 TYR A 900 15.857 207.299 22.418 1.00 25.13 C +ANISOU 1539 CD1 TYR A 900 3395 3105 3045 202 119 73 C +ATOM 1540 CD2 TYR A 900 18.143 207.893 22.079 1.00 28.33 C +ANISOU 1540 CD2 TYR A 900 3723 3581 3459 243 120 111 C +ATOM 1541 CE1 TYR A 900 15.476 208.231 21.469 1.00 27.35 C +ANISOU 1541 CE1 TYR A 900 3663 3374 3352 176 109 59 C +ATOM 1542 CE2 TYR A 900 17.769 208.799 21.111 1.00 26.94 C +ANISOU 1542 CE2 TYR A 900 3546 3375 3312 208 118 96 C +ATOM 1543 CZ TYR A 900 16.449 208.973 20.806 1.00 27.77 C +ANISOU 1543 CZ TYR A 900 3683 3441 3425 183 111 77 C +ATOM 1544 OH TYR A 900 16.084 209.894 19.838 1.00 25.26 O +ANISOU 1544 OH TYR A 900 3354 3109 3132 166 109 89 O +ATOM 1545 N GLY A 901 20.067 204.872 22.372 1.00 25.14 N +ANISOU 1545 N GLY A 901 3347 3188 3017 443 209 244 N +ATOM 1546 CA GLY A 901 21.036 204.785 21.317 1.00 24.42 C +ANISOU 1546 CA GLY A 901 3237 3104 2936 486 244 254 C +ATOM 1547 C GLY A 901 20.971 203.449 20.595 1.00 24.94 C +ANISOU 1547 C GLY A 901 3389 3069 3017 549 323 256 C +ATOM 1548 O GLY A 901 21.076 203.394 19.362 1.00 25.24 O +ANISOU 1548 O GLY A 901 3455 3077 3055 542 360 215 O +ATOM 1549 N VAL A 902 20.800 202.349 21.324 1.00 27.74 N +ANISOU 1549 N VAL A 902 3790 3364 3383 606 360 302 N +ATOM 1550 CA VAL A 902 20.718 201.034 20.638 1.00 26.83 C +ANISOU 1550 CA VAL A 902 3774 3116 3302 658 458 289 C +ATOM 1551 C VAL A 902 19.452 201.014 19.772 1.00 28.16 C +ANISOU 1551 C VAL A 902 4026 3207 3465 547 464 183 C +ATOM 1552 O VAL A 902 19.459 200.520 18.657 1.00 28.60 O +ANISOU 1552 O VAL A 902 4137 3205 3521 541 524 118 O +ATOM 1553 CB VAL A 902 20.747 199.853 21.640 1.00 29.97 C +ANISOU 1553 CB VAL A 902 4215 3441 3731 742 511 378 C +ATOM 1554 CG1 VAL A 902 20.644 198.530 20.880 1.00 29.52 C +ANISOU 1554 CG1 VAL A 902 4275 3210 3731 785 633 346 C +ATOM 1555 CG2 VAL A 902 22.012 199.881 22.478 1.00 29.08 C +ANISOU 1555 CG2 VAL A 902 3996 3447 3605 861 496 499 C +ATOM 1556 N THR A 903 18.370 201.551 20.304 1.00 26.55 N +ANISOU 1556 N THR A 903 3820 3023 3245 460 404 163 N +ATOM 1557 CA THR A 903 17.108 201.631 19.576 1.00 28.04 C +ANISOU 1557 CA THR A 903 4056 3179 3417 355 395 76 C +ATOM 1558 C THR A 903 17.245 202.440 18.280 1.00 27.04 C +ANISOU 1558 C THR A 903 3898 3117 3256 321 372 28 C +ATOM 1559 O THR A 903 16.815 202.005 17.203 1.00 26.23 O +ANISOU 1559 O THR A 903 3846 2993 3127 275 406 -42 O +ATOM 1560 CB THR A 903 16.021 202.237 20.484 1.00 26.71 C +ANISOU 1560 CB THR A 903 3862 3047 3239 288 332 78 C +ATOM 1561 OG1 THR A 903 15.881 201.405 21.639 1.00 26.45 O +ANISOU 1561 OG1 THR A 903 3859 2964 3224 315 361 132 O +ATOM 1562 CG2 THR A 903 14.703 202.302 19.746 1.00 27.03 C +ANISOU 1562 CG2 THR A 903 3928 3082 3259 187 319 2 C +ATOM 1563 N VAL A 904 17.900 203.601 18.363 1.00 25.95 N +ANISOU 1563 N VAL A 904 3678 3066 3114 339 322 68 N +ATOM 1564 CA VAL A 904 18.213 204.376 17.150 1.00 25.13 C +ANISOU 1564 CA VAL A 904 3542 3023 2982 319 314 54 C +ATOM 1565 C VAL A 904 19.033 203.578 16.127 1.00 27.00 C +ANISOU 1565 C VAL A 904 3811 3246 3199 366 389 29 C +ATOM 1566 O VAL A 904 18.787 203.643 14.890 1.00 26.83 O +ANISOU 1566 O VAL A 904 3807 3259 3127 326 405 -17 O +ATOM 1567 CB VAL A 904 18.897 205.703 17.537 1.00 26.07 C +ANISOU 1567 CB VAL A 904 3572 3213 3121 324 266 106 C +ATOM 1568 CG1 VAL A 904 19.418 206.447 16.295 1.00 28.42 C +ANISOU 1568 CG1 VAL A 904 3835 3565 3396 312 274 118 C +ATOM 1569 CG2 VAL A 904 17.899 206.550 18.299 1.00 25.44 C +ANISOU 1569 CG2 VAL A 904 3473 3133 3057 270 208 102 C +ATOM 1570 N TRP A 905 20.029 202.827 16.609 1.00 27.14 N +ANISOU 1570 N TRP A 905 3830 3231 3251 457 441 64 N +ATOM 1571 CA TRP A 905 20.819 201.958 15.743 1.00 28.14 C +ANISOU 1571 CA TRP A 905 3991 3326 3373 522 534 36 C +ATOM 1572 C TRP A 905 19.979 200.918 15.027 1.00 28.82 C +ANISOU 1572 C TRP A 905 4188 3318 3444 474 599 -66 C +ATOM 1573 O TRP A 905 20.193 200.671 13.846 1.00 28.90 O +ANISOU 1573 O TRP A 905 4224 3346 3411 463 654 -136 O +ATOM 1574 CB TRP A 905 21.916 201.259 16.556 1.00 28.50 C +ANISOU 1574 CB TRP A 905 4012 3345 3471 649 583 111 C +ATOM 1575 CG TRP A 905 22.901 200.517 15.768 1.00 30.10 C +ANISOU 1575 CG TRP A 905 4226 3525 3682 742 686 97 C +ATOM 1576 CD1 TRP A 905 24.092 200.983 15.277 1.00 32.06 C +ANISOU 1576 CD1 TRP A 905 4385 3879 3915 799 702 131 C +ATOM 1577 CD2 TRP A 905 22.818 199.156 15.388 1.00 31.56 C +ANISOU 1577 CD2 TRP A 905 4518 3569 3901 793 803 40 C +ATOM 1578 NE1 TRP A 905 24.732 199.993 14.615 1.00 34.47 N +ANISOU 1578 NE1 TRP A 905 4731 4127 4238 892 820 100 N +ATOM 1579 CE2 TRP A 905 23.997 198.842 14.708 1.00 33.08 C +ANISOU 1579 CE2 TRP A 905 4680 3786 4099 896 889 43 C +ATOM 1580 CE3 TRP A 905 21.887 198.146 15.627 1.00 32.20 C +ANISOU 1580 CE3 TRP A 905 4719 3495 4021 759 854 -10 C +ATOM 1581 CZ2 TRP A 905 24.218 197.597 14.151 1.00 36.09 C +ANISOU 1581 CZ2 TRP A 905 5156 4034 4521 968 1030 -22 C +ATOM 1582 CZ3 TRP A 905 22.111 196.908 15.114 1.00 33.62 C +ANISOU 1582 CZ3 TRP A 905 4995 3531 4246 817 993 -73 C +ATOM 1583 CH2 TRP A 905 23.281 196.624 14.386 1.00 36.83 C +ANISOU 1583 CH2 TRP A 905 5378 3954 4660 928 1084 -82 C +ATOM 1584 N GLU A 906 19.053 200.271 15.742 1.00 28.10 N +ANISOU 1584 N GLU A 906 4159 3132 3383 436 602 -83 N +ATOM 1585 CA GLU A 906 18.167 199.324 15.108 1.00 28.91 C +ANISOU 1585 CA GLU A 906 4362 3146 3473 357 663 -196 C +ATOM 1586 C GLU A 906 17.377 200.020 13.990 1.00 28.92 C +ANISOU 1586 C GLU A 906 4341 3263 3381 243 609 -273 C +ATOM 1587 O GLU A 906 17.146 199.433 12.965 1.00 30.94 O +ANISOU 1587 O GLU A 906 4652 3515 3589 187 665 -382 O +ATOM 1588 CB GLU A 906 17.134 198.781 16.070 1.00 30.07 C +ANISOU 1588 CB GLU A 906 4559 3202 3661 303 658 -192 C +ATOM 1589 CG GLU A 906 17.670 198.010 17.283 1.00 30.83 C +ANISOU 1589 CG GLU A 906 4684 3189 3840 408 711 -94 C +ATOM 1590 CD GLU A 906 16.503 197.579 18.156 1.00 29.83 C +ANISOU 1590 CD GLU A 906 4602 2991 3738 331 704 -89 C +ATOM 1591 OE1 GLU A 906 15.910 196.516 17.849 1.00 31.42 O +ANISOU 1591 OE1 GLU A 906 4905 3059 3972 268 792 -167 O +ATOM 1592 OE2 GLU A 906 16.161 198.288 19.124 1.00 28.02 O +ANISOU 1592 OE2 GLU A 906 4308 2839 3496 322 621 -17 O +ATOM 1593 N LEU A 907 16.957 201.248 14.210 1.00 28.48 N +ANISOU 1593 N LEU A 907 4204 3314 3300 211 506 -214 N +ATOM 1594 CA LEU A 907 16.178 201.950 13.189 1.00 29.49 C +ANISOU 1594 CA LEU A 907 4299 3565 3341 123 452 -251 C +ATOM 1595 C LEU A 907 17.030 202.244 11.984 1.00 27.10 C +ANISOU 1595 C LEU A 907 3974 3348 2975 149 482 -260 C +ATOM 1596 O LEU A 907 16.608 202.075 10.841 1.00 29.13 O +ANISOU 1596 O LEU A 907 4244 3685 3137 82 495 -337 O +ATOM 1597 CB LEU A 907 15.601 203.265 13.760 1.00 29.17 C +ANISOU 1597 CB LEU A 907 4176 3594 3310 109 352 -167 C +ATOM 1598 CG LEU A 907 14.609 203.101 14.937 1.00 30.66 C +ANISOU 1598 CG LEU A 907 4373 3728 3545 75 320 -161 C +ATOM 1599 CD1 LEU A 907 13.950 204.412 15.281 1.00 30.97 C +ANISOU 1599 CD1 LEU A 907 4335 3842 3590 62 238 -100 C +ATOM 1600 CD2 LEU A 907 13.561 202.055 14.678 1.00 32.79 C +ANISOU 1600 CD2 LEU A 907 4703 3966 3787 -17 351 -258 C +ATOM 1601 N MET A 908 18.224 202.737 12.248 1.00 27.96 N +ANISOU 1601 N MET A 908 4034 3464 3123 239 490 -179 N +ATOM 1602 CA MET A 908 19.090 203.262 11.192 1.00 28.73 C +ANISOU 1602 CA MET A 908 4088 3663 3164 263 512 -159 C +ATOM 1603 C MET A 908 19.691 202.107 10.368 1.00 29.08 C +ANISOU 1603 C MET A 908 4197 3678 3174 292 625 -258 C +ATOM 1604 O MET A 908 20.173 202.334 9.242 1.00 29.48 O +ANISOU 1604 O MET A 908 4225 3832 3144 289 658 -276 O +ATOM 1605 CB MET A 908 20.221 204.090 11.788 1.00 29.55 C +ANISOU 1605 CB MET A 908 4113 3786 3328 335 495 -52 C +ATOM 1606 CG MET A 908 19.846 205.363 12.474 1.00 29.89 C +ANISOU 1606 CG MET A 908 4094 3854 3408 305 407 28 C +ATOM 1607 SD MET A 908 18.861 206.465 11.436 1.00 33.88 S +ANISOU 1607 SD MET A 908 4570 4461 3841 230 352 59 S +ATOM 1608 CE MET A 908 18.216 207.598 12.687 1.00 32.14 C +ANISOU 1608 CE MET A 908 4307 4193 3710 215 274 125 C +ATOM 1609 N THR A 909 19.703 200.887 10.924 1.00 30.08 N +ANISOU 1609 N THR A 909 4403 3660 3365 325 695 -316 N +ATOM 1610 CA THR A 909 20.068 199.684 10.133 1.00 31.46 C +ANISOU 1610 CA THR A 909 4661 3770 3522 342 823 -438 C +ATOM 1611 C THR A 909 18.854 198.983 9.581 1.00 32.10 C +ANISOU 1611 C THR A 909 4826 3826 3545 211 842 -584 C +ATOM 1612 O THR A 909 18.929 197.833 9.135 1.00 33.02 O +ANISOU 1612 O THR A 909 5036 3840 3668 200 959 -714 O +ATOM 1613 CB THR A 909 20.828 198.667 11.010 1.00 35.14 C +ANISOU 1613 CB THR A 909 5175 4068 4109 465 916 -411 C +ATOM 1614 OG1 THR A 909 20.028 198.302 12.165 1.00 33.19 O +ANISOU 1614 OG1 THR A 909 4968 3708 3934 441 883 -381 O +ATOM 1615 CG2 THR A 909 22.133 199.265 11.500 1.00 35.25 C +ANISOU 1615 CG2 THR A 909 5086 4141 4163 593 902 -276 C +ATOM 1616 N PHE A 910 17.694 199.629 9.684 1.00 32.82 N +ANISOU 1616 N PHE A 910 4881 3999 3589 108 735 -569 N +ATOM 1617 CA PHE A 910 16.443 199.045 9.200 1.00 35.04 C +ANISOU 1617 CA PHE A 910 5214 4295 3803 -36 735 -703 C +ATOM 1618 C PHE A 910 16.155 197.697 9.863 1.00 35.89 C +ANISOU 1618 C PHE A 910 5434 4191 4010 -56 829 -788 C +ATOM 1619 O PHE A 910 15.725 196.764 9.221 1.00 35.01 O +ANISOU 1619 O PHE A 910 5403 4034 3864 -154 908 -950 O +ATOM 1620 CB PHE A 910 16.461 198.920 7.656 1.00 39.81 C +ANISOU 1620 CB PHE A 910 5823 5044 4259 -108 773 -826 C +ATOM 1621 CG PHE A 910 16.644 200.236 6.963 1.00 38.97 C +ANISOU 1621 CG PHE A 910 5608 5149 4049 -93 687 -720 C +ATOM 1622 CD1 PHE A 910 15.572 201.109 6.841 1.00 39.58 C +ANISOU 1622 CD1 PHE A 910 5608 5372 4056 -167 569 -660 C +ATOM 1623 CD2 PHE A 910 17.876 200.609 6.469 1.00 40.90 C +ANISOU 1623 CD2 PHE A 910 5821 5442 4277 0 731 -666 C +ATOM 1624 CE1 PHE A 910 15.731 202.341 6.240 1.00 40.23 C +ANISOU 1624 CE1 PHE A 910 5596 5625 4061 -141 502 -536 C +ATOM 1625 CE2 PHE A 910 18.040 201.850 5.883 1.00 41.51 C +ANISOU 1625 CE2 PHE A 910 5802 5696 4274 8 662 -549 C +ATOM 1626 CZ PHE A 910 16.964 202.707 5.767 1.00 39.71 C +ANISOU 1626 CZ PHE A 910 5510 5591 3984 -59 550 -480 C +ATOM 1627 N GLY A 911 16.384 197.624 11.167 1.00 35.21 N +ANISOU 1627 N GLY A 911 5351 3980 4044 28 822 -676 N +ATOM 1628 CA GLY A 911 16.041 196.465 11.937 1.00 34.68 C +ANISOU 1628 CA GLY A 911 5383 3714 4079 15 904 -712 C +ATOM 1629 C GLY A 911 17.066 195.379 12.071 1.00 35.69 C +ANISOU 1629 C GLY A 911 5599 3654 4305 134 1053 -723 C +ATOM 1630 O GLY A 911 16.694 194.235 12.266 1.00 36.41 O +ANISOU 1630 O GLY A 911 5801 3563 4469 93 1158 -800 O +ATOM 1631 N SER A 912 18.349 195.694 11.996 1.00 34.70 N +ANISOU 1631 N SER A 912 5425 3563 4195 283 1073 -641 N +ATOM 1632 CA SER A 912 19.379 194.683 12.255 1.00 36.51 C +ANISOU 1632 CA SER A 912 5719 3620 4532 432 1217 -618 C +ATOM 1633 C SER A 912 19.409 194.350 13.731 1.00 35.69 C +ANISOU 1633 C SER A 912 5622 3397 4541 518 1213 -469 C +ATOM 1634 O SER A 912 18.980 195.151 14.561 1.00 33.69 O +ANISOU 1634 O SER A 912 5293 3236 4268 490 1087 -368 O +ATOM 1635 CB SER A 912 20.764 195.169 11.848 1.00 36.68 C +ANISOU 1635 CB SER A 912 5656 3744 4534 573 1232 -553 C +ATOM 1636 OG SER A 912 20.788 195.344 10.442 1.00 39.41 O +ANISOU 1636 OG SER A 912 6006 4197 4770 500 1258 -690 O +ATOM 1637 N LYS A 913 19.916 193.159 14.019 1.00 37.78 N +ANISOU 1637 N LYS A 913 5978 3458 4919 625 1361 -455 N +ATOM 1638 CA LYS A 913 20.098 192.679 15.362 1.00 39.32 C +ANISOU 1638 CA LYS A 913 6182 3537 5218 735 1383 -291 C +ATOM 1639 C LYS A 913 21.400 193.252 15.888 1.00 39.70 C +ANISOU 1639 C LYS A 913 6102 3710 5269 919 1338 -120 C +ATOM 1640 O LYS A 913 22.438 193.087 15.256 1.00 36.03 O +ANISOU 1640 O LYS A 913 5616 3257 4815 1033 1414 -131 O +ATOM 1641 CB LYS A 913 20.185 191.138 15.353 1.00 42.15 C +ANISOU 1641 CB LYS A 913 6693 3611 5708 793 1583 -332 C +ATOM 1642 CG LYS A 913 18.873 190.493 14.979 1.00 45.92 C +ANISOU 1642 CG LYS A 913 7297 3954 6194 588 1635 -504 C +ATOM 1643 CD LYS A 913 18.933 188.983 14.985 1.00 52.88 C +ANISOU 1643 CD LYS A 913 8344 4523 7225 627 1850 -555 C +ATOM 1644 CE LYS A 913 17.669 188.426 14.373 1.00 56.80 C +ANISOU 1644 CE LYS A 913 8954 4916 7708 382 1902 -776 C +ATOM 1645 NZ LYS A 913 17.802 186.959 14.165 1.00 64.04 N +ANISOU 1645 NZ LYS A 913 10049 5504 8779 403 2139 -869 N +ATOM 1646 N PRO A 914 21.380 193.840 17.091 1.00 37.98 N +ANISOU 1646 N PRO A 914 5797 3588 5043 950 1227 34 N +ATOM 1647 CA PRO A 914 22.681 194.318 17.576 1.00 37.85 C +ANISOU 1647 CA PRO A 914 5649 3709 5023 1113 1190 183 C +ATOM 1648 C PRO A 914 23.614 193.197 17.982 1.00 39.48 C +ANISOU 1648 C PRO A 914 5881 3784 5334 1317 1327 298 C +ATOM 1649 O PRO A 914 23.164 192.166 18.539 1.00 39.73 O +ANISOU 1649 O PRO A 914 6021 3621 5454 1347 1420 343 O +ATOM 1650 CB PRO A 914 22.344 195.193 18.792 1.00 36.69 C +ANISOU 1650 CB PRO A 914 5408 3703 4829 1073 1042 295 C +ATOM 1651 CG PRO A 914 20.871 195.131 18.949 1.00 38.37 C +ANISOU 1651 CG PRO A 914 5705 3841 5031 910 1012 217 C +ATOM 1652 CD PRO A 914 20.288 194.108 18.044 1.00 38.00 C +ANISOU 1652 CD PRO A 914 5803 3602 5031 844 1137 75 C +ATOM 1653 N TYR A 915 24.899 193.432 17.721 1.00 39.01 N +ANISOU 1653 N TYR A 915 5715 3838 5268 1458 1343 359 N +ATOM 1654 CA TYR A 915 25.972 192.508 18.009 1.00 42.82 C +ANISOU 1654 CA TYR A 915 6184 4242 5843 1685 1471 486 C +ATOM 1655 C TYR A 915 25.580 191.144 17.446 1.00 47.01 C +ANISOU 1655 C TYR A 915 6902 4471 6486 1708 1664 387 C +ATOM 1656 O TYR A 915 25.600 190.173 18.167 1.00 48.99 O +ANISOU 1656 O TYR A 915 7219 4550 6842 1825 1763 505 O +ATOM 1657 CB TYR A 915 26.223 192.415 19.533 1.00 42.03 C +ANISOU 1657 CB TYR A 915 6004 4206 5759 1797 1414 713 C +ATOM 1658 CG TYR A 915 26.285 193.748 20.256 1.00 38.88 C +ANISOU 1658 CG TYR A 915 5447 4081 5243 1718 1219 774 C +ATOM 1659 CD1 TYR A 915 27.458 194.521 20.263 1.00 38.99 C +ANISOU 1659 CD1 TYR A 915 5283 4330 5201 1791 1152 838 C +ATOM 1660 CD2 TYR A 915 25.177 194.233 20.899 1.00 36.99 C +ANISOU 1660 CD2 TYR A 915 5236 3863 4955 1562 1115 752 C +ATOM 1661 CE1 TYR A 915 27.512 195.747 20.909 1.00 36.54 C +ANISOU 1661 CE1 TYR A 915 4838 4253 4793 1696 988 868 C +ATOM 1662 CE2 TYR A 915 25.199 195.474 21.573 1.00 37.35 C +ANISOU 1662 CE2 TYR A 915 5148 4141 4901 1483 951 785 C +ATOM 1663 CZ TYR A 915 26.374 196.226 21.580 1.00 36.41 C +ANISOU 1663 CZ TYR A 915 4864 4237 4731 1545 891 837 C +ATOM 1664 OH TYR A 915 26.367 197.430 22.250 1.00 33.31 O +ANISOU 1664 OH TYR A 915 4354 4052 4251 1446 745 846 O +ATOM 1665 N ASP A 916 25.189 191.087 16.173 1.00 50.16 N +ANISOU 1665 N ASP A 916 7389 4811 6859 1587 1721 170 N +ATOM 1666 CA ASP A 916 24.505 189.888 15.638 1.00 54.71 C +ANISOU 1666 CA ASP A 916 8160 5100 7525 1530 1890 21 C +ATOM 1667 C ASP A 916 25.391 188.633 15.728 1.00 56.84 C +ANISOU 1667 C ASP A 916 8497 5150 7950 1762 2102 97 C +ATOM 1668 O ASP A 916 26.557 188.640 15.299 1.00 56.48 O +ANISOU 1668 O ASP A 916 8371 5174 7913 1929 2163 129 O +ATOM 1669 CB ASP A 916 24.019 190.102 14.189 1.00 57.65 C +ANISOU 1669 CB ASP A 916 8593 5500 7811 1354 1908 -237 C +ATOM 1670 CG ASP A 916 23.428 188.826 13.573 1.00 61.30 C +ANISOU 1670 CG ASP A 916 9253 5676 8361 1283 2099 -424 C +ATOM 1671 OD1 ASP A 916 22.478 188.258 14.142 1.00 61.18 O +ANISOU 1671 OD1 ASP A 916 9341 5493 8410 1187 2123 -429 O +ATOM 1672 OD2 ASP A 916 23.943 188.355 12.532 1.00 71.94 O +ANISOU 1672 OD2 ASP A 916 10655 6961 9719 1322 2239 -571 O +ATOM 1673 N GLY A 917 24.845 187.575 16.325 1.00 56.83 N +ANISOU 1673 N GLY A 917 8633 4883 8075 1779 2217 141 N +ATOM 1674 CA GLY A 917 25.579 186.347 16.469 1.00 62.08 C +ANISOU 1674 CA GLY A 917 9378 5300 8910 2005 2433 230 C +ATOM 1675 C GLY A 917 26.586 186.322 17.603 1.00 64.14 C +ANISOU 1675 C GLY A 917 9502 5654 9215 2268 2410 541 C +ATOM 1676 O GLY A 917 27.247 185.318 17.785 1.00 67.76 O +ANISOU 1676 O GLY A 917 10008 5917 9819 2489 2591 655 O +ATOM 1677 N ILE A 918 26.708 187.391 18.387 1.00 62.68 N +ANISOU 1677 N ILE A 918 9143 5764 8905 2249 2198 682 N +ATOM 1678 CA ILE A 918 27.564 187.347 19.584 1.00 63.84 C +ANISOU 1678 CA ILE A 918 9151 6033 9071 2475 2161 981 C +ATOM 1679 C ILE A 918 26.737 186.886 20.782 1.00 62.60 C +ANISOU 1679 C ILE A 918 9066 5764 8956 2446 2149 1131 C +ATOM 1680 O ILE A 918 25.679 187.444 21.002 1.00 62.98 O +ANISOU 1680 O ILE A 918 9141 5866 8922 2224 2027 1046 O +ATOM 1681 CB ILE A 918 28.205 188.711 19.862 1.00 62.90 C +ANISOU 1681 CB ILE A 918 8802 6303 8794 2462 1950 1048 C +ATOM 1682 CG1 ILE A 918 29.248 188.997 18.779 1.00 67.52 C +ANISOU 1682 CG1 ILE A 918 9301 6992 9360 2543 1996 957 C +ATOM 1683 CG2 ILE A 918 28.845 188.716 21.239 1.00 63.34 C +ANISOU 1683 CG2 ILE A 918 8710 6521 8834 2640 1883 1341 C +ATOM 1684 CD1 ILE A 918 29.778 190.410 18.773 1.00 67.18 C +ANISOU 1684 CD1 ILE A 918 9054 7303 9166 2472 1805 964 C +ATOM 1685 N PRO A 919 27.199 185.865 21.550 1.00 64.70 N +ANISOU 1685 N PRO A 919 9357 5876 9347 2676 2283 1365 N +ATOM 1686 CA PRO A 919 26.413 185.428 22.716 1.00 64.77 C +ANISOU 1686 CA PRO A 919 9431 5791 9385 2647 2276 1529 C +ATOM 1687 C PRO A 919 26.272 186.538 23.738 1.00 62.98 C +ANISOU 1687 C PRO A 919 9032 5914 8982 2572 2037 1645 C +ATOM 1688 O PRO A 919 27.221 187.295 23.946 1.00 63.51 O +ANISOU 1688 O PRO A 919 8902 6278 8948 2669 1918 1732 O +ATOM 1689 CB PRO A 919 27.244 184.287 23.314 1.00 69.70 C +ANISOU 1689 CB PRO A 919 10067 6254 10160 2960 2452 1804 C +ATOM 1690 CG PRO A 919 28.123 183.803 22.212 1.00 71.02 C +ANISOU 1690 CG PRO A 919 10264 6286 10434 3111 2620 1701 C +ATOM 1691 CD PRO A 919 28.398 185.018 21.355 1.00 68.97 C +ANISOU 1691 CD PRO A 919 9878 6307 10017 2975 2463 1493 C +ATOM 1692 N ALA A 920 25.102 186.633 24.371 1.00 60.78 N +ANISOU 1692 N ALA A 920 8822 5604 8665 2394 1974 1637 N +ATOM 1693 CA ALA A 920 24.835 187.685 25.349 1.00 59.49 C +ANISOU 1693 CA ALA A 920 8513 5754 8333 2301 1761 1716 C +ATOM 1694 C ALA A 920 25.888 187.683 26.466 1.00 58.36 C +ANISOU 1694 C ALA A 920 8197 5838 8138 2534 1712 2016 C +ATOM 1695 O ALA A 920 26.304 188.737 26.949 1.00 56.87 O +ANISOU 1695 O ALA A 920 7826 5987 7795 2509 1534 2048 O +ATOM 1696 CB ALA A 920 23.434 187.528 25.935 1.00 60.18 C +ANISOU 1696 CB ALA A 920 8714 5737 8414 2112 1746 1693 C +ATOM 1697 N SER A 921 26.355 186.508 26.838 1.00 59.54 N +ANISOU 1697 N SER A 921 8397 5808 8415 2761 1876 2232 N +ATOM 1698 CA SER A 921 27.336 186.397 27.903 1.00 61.77 C +ANISOU 1698 CA SER A 921 8507 6316 8643 3001 1838 2545 C +ATOM 1699 C SER A 921 28.690 186.995 27.525 1.00 61.83 C +ANISOU 1699 C SER A 921 8312 6591 8588 3140 1770 2560 C +ATOM 1700 O SER A 921 29.543 187.110 28.375 1.00 62.77 O +ANISOU 1700 O SER A 921 8245 6978 8625 3310 1701 2795 O +ATOM 1701 CB SER A 921 27.535 184.924 28.301 1.00 64.99 C +ANISOU 1701 CB SER A 921 9026 6437 9227 3240 2056 2795 C +ATOM 1702 OG SER A 921 28.058 184.176 27.223 1.00 65.27 O +ANISOU 1702 OG SER A 921 9162 6198 9440 3370 2250 2710 O +ATOM 1703 N GLU A 922 28.908 187.350 26.262 1.00 61.15 N +ANISOU 1703 N GLU A 922 8249 6451 8532 3069 1791 2319 N +ATOM 1704 CA GLU A 922 30.174 187.992 25.870 1.00 60.08 C +ANISOU 1704 CA GLU A 922 7911 6584 8331 3176 1725 2323 C +ATOM 1705 C GLU A 922 30.073 189.501 25.746 1.00 55.47 C +ANISOU 1705 C GLU A 922 7199 6301 7574 2950 1511 2154 C +ATOM 1706 O GLU A 922 31.070 190.175 25.568 1.00 51.94 O +ANISOU 1706 O GLU A 922 6566 6112 7053 3001 1434 2162 O +ATOM 1707 CB GLU A 922 30.657 187.450 24.545 1.00 62.59 C +ANISOU 1707 CB GLU A 922 8313 6682 8784 3266 1898 2185 C +ATOM 1708 CG GLU A 922 30.985 185.977 24.575 1.00 67.07 C +ANISOU 1708 CG GLU A 922 8993 6943 9545 3526 2137 2349 C +ATOM 1709 CD GLU A 922 31.443 185.498 23.228 1.00 70.82 C +ANISOU 1709 CD GLU A 922 9555 7207 10145 3599 2316 2174 C +ATOM 1710 OE1 GLU A 922 31.271 184.296 22.931 1.00 77.35 O +ANISOU 1710 OE1 GLU A 922 10566 7665 11157 3712 2543 2181 O +ATOM 1711 OE2 GLU A 922 31.981 186.327 22.463 1.00 71.71 O +ANISOU 1711 OE2 GLU A 922 9554 7521 10172 3539 2238 2026 O +ATOM 1712 N ILE A 923 28.876 190.041 25.859 1.00 53.09 N +ANISOU 1712 N ILE A 923 6992 5965 7214 2703 1422 2006 N +ATOM 1713 CA ILE A 923 28.678 191.462 25.594 1.00 51.13 C +ANISOU 1713 CA ILE A 923 6654 5940 6832 2485 1247 1825 C +ATOM 1714 C ILE A 923 29.351 192.414 26.589 1.00 52.42 C +ANISOU 1714 C ILE A 923 6587 6491 6839 2489 1073 1940 C +ATOM 1715 O ILE A 923 29.975 193.396 26.182 1.00 48.73 O +ANISOU 1715 O ILE A 923 5985 6230 6299 2425 980 1848 O +ATOM 1716 CB ILE A 923 27.189 191.794 25.500 1.00 48.42 C +ANISOU 1716 CB ILE A 923 6459 5467 6472 2236 1202 1651 C +ATOM 1717 CG1 ILE A 923 26.592 191.174 24.231 1.00 48.83 C +ANISOU 1717 CG1 ILE A 923 6704 5205 6642 2170 1343 1461 C +ATOM 1718 CG2 ILE A 923 26.981 193.280 25.540 1.00 45.31 C +ANISOU 1718 CG2 ILE A 923 5958 5317 5941 2043 1020 1521 C +ATOM 1719 CD1 ILE A 923 27.159 191.686 22.917 1.00 48.81 C +ANISOU 1719 CD1 ILE A 923 6669 5242 6634 2142 1351 1290 C +ATOM 1720 N SER A 924 29.206 192.128 27.880 1.00 52.10 N +ANISOU 1720 N SER A 924 6501 6551 6740 2550 1033 2135 N +ATOM 1721 CA SER A 924 29.922 192.840 28.923 1.00 52.19 C +ANISOU 1721 CA SER A 924 6286 6948 6592 2574 884 2263 C +ATOM 1722 C SER A 924 31.426 193.051 28.597 1.00 52.77 C +ANISOU 1722 C SER A 924 6156 7245 6646 2724 872 2332 C +ATOM 1723 O SER A 924 31.914 194.175 28.618 1.00 50.15 O +ANISOU 1723 O SER A 924 5666 7186 6203 2609 739 2244 O +ATOM 1724 CB SER A 924 29.757 192.067 30.233 1.00 54.93 C +ANISOU 1724 CB SER A 924 6624 7341 6905 2701 900 2523 C +ATOM 1725 OG SER A 924 30.475 192.684 31.259 1.00 57.94 O +ANISOU 1725 OG SER A 924 6776 8124 7112 2727 758 2650 O +ATOM 1726 N SER A 925 32.142 191.989 28.250 1.00 54.02 N +ANISOU 1726 N SER A 925 6322 7278 6924 2973 1021 2479 N +ATOM 1727 CA SER A 925 33.607 192.086 28.062 1.00 56.99 C +ANISOU 1727 CA SER A 925 6479 7894 7280 3148 1018 2582 C +ATOM 1728 C SER A 925 34.004 192.869 26.790 1.00 56.55 C +ANISOU 1728 C SER A 925 6394 7851 7239 3033 1010 2351 C +ATOM 1729 O SER A 925 34.996 193.614 26.819 1.00 54.45 O +ANISOU 1729 O SER A 925 5908 7897 6883 3032 919 2363 O +ATOM 1730 CB SER A 925 34.268 190.700 28.100 1.00 64.86 C +ANISOU 1730 CB SER A 925 7483 8749 8409 3477 1195 2825 C +ATOM 1731 OG SER A 925 34.049 190.029 26.871 1.00 71.24 O +ANISOU 1731 OG SER A 925 8486 9188 9395 3517 1377 2687 O +ATOM 1732 N ILE A 926 33.175 192.741 25.724 1.00 54.77 N +ANISOU 1732 N ILE A 926 6386 7309 7112 2916 1098 2140 N +ATOM 1733 CA ILE A 926 33.240 193.570 24.507 1.00 51.91 C +ANISOU 1733 CA ILE A 926 6033 6943 6746 2760 1081 1904 C +ATOM 1734 C ILE A 926 33.120 195.048 24.840 1.00 47.58 C +ANISOU 1734 C ILE A 926 5365 6657 6053 2527 889 1800 C +ATOM 1735 O ILE A 926 33.948 195.841 24.429 1.00 44.73 O +ANISOU 1735 O ILE A 926 4851 6499 5642 2486 836 1749 O +ATOM 1736 CB ILE A 926 32.154 193.110 23.492 1.00 53.62 C +ANISOU 1736 CB ILE A 926 6511 6795 7066 2659 1195 1712 C +ATOM 1737 CG1 ILE A 926 32.644 191.819 22.821 1.00 58.06 C +ANISOU 1737 CG1 ILE A 926 7159 7120 7778 2886 1408 1762 C +ATOM 1738 CG2 ILE A 926 31.822 194.150 22.432 1.00 53.23 C +ANISOU 1738 CG2 ILE A 926 6489 6763 6972 2438 1136 1471 C +ATOM 1739 CD1 ILE A 926 31.570 191.100 22.039 1.00 59.65 C +ANISOU 1739 CD1 ILE A 926 7624 6952 8086 2803 1540 1595 C +ATOM 1740 N LEU A 927 32.092 195.418 25.588 1.00 45.21 N +ANISOU 1740 N LEU A 927 5136 6346 5693 2372 797 1765 N +ATOM 1741 CA LEU A 927 31.840 196.823 25.910 1.00 43.54 C +ANISOU 1741 CA LEU A 927 4842 6338 5364 2143 635 1643 C +ATOM 1742 C LEU A 927 32.949 197.371 26.799 1.00 45.27 C +ANISOU 1742 C LEU A 927 4804 6931 5463 2182 526 1762 C +ATOM 1743 O LEU A 927 33.349 198.522 26.675 1.00 43.41 O +ANISOU 1743 O LEU A 927 4447 6887 5157 2033 431 1656 O +ATOM 1744 CB LEU A 927 30.496 196.973 26.619 1.00 42.36 C +ANISOU 1744 CB LEU A 927 4818 6095 5179 1999 579 1594 C +ATOM 1745 CG LEU A 927 29.274 196.647 25.772 1.00 41.50 C +ANISOU 1745 CG LEU A 927 4941 5663 5164 1905 658 1447 C +ATOM 1746 CD1 LEU A 927 27.987 196.766 26.600 1.00 41.78 C +ANISOU 1746 CD1 LEU A 927 5072 5642 5159 1776 603 1423 C +ATOM 1747 CD2 LEU A 927 29.213 197.549 24.543 1.00 40.12 C +ANISOU 1747 CD2 LEU A 927 4784 5459 4998 1761 640 1248 C +ATOM 1748 N GLU A 928 33.432 196.538 27.711 1.00 48.53 N +ANISOU 1748 N GLU A 928 5133 7453 5853 2378 544 1988 N +ATOM 1749 CA GLU A 928 34.491 196.953 28.606 1.00 51.54 C +ANISOU 1749 CA GLU A 928 5251 8228 6102 2424 438 2118 C +ATOM 1750 C GLU A 928 35.766 197.272 27.833 1.00 52.32 C +ANISOU 1750 C GLU A 928 5178 8485 6215 2482 454 2105 C +ATOM 1751 O GLU A 928 36.463 198.197 28.188 1.00 55.20 O +ANISOU 1751 O GLU A 928 5340 9165 6467 2377 339 2078 O +ATOM 1752 CB GLU A 928 34.778 195.877 29.671 1.00 55.26 C +ANISOU 1752 CB GLU A 928 5661 8790 6545 2658 467 2401 C +ATOM 1753 CG GLU A 928 33.693 195.755 30.710 1.00 55.40 C +ANISOU 1753 CG GLU A 928 5781 8769 6495 2580 419 2438 C +ATOM 1754 CD GLU A 928 34.067 194.795 31.829 1.00 62.12 C +ANISOU 1754 CD GLU A 928 6543 9765 7294 2808 437 2746 C +ATOM 1755 OE1 GLU A 928 33.806 193.568 31.696 1.00 63.14 O +ANISOU 1755 OE1 GLU A 928 6814 9619 7556 2999 585 2895 O +ATOM 1756 OE2 GLU A 928 34.608 195.295 32.845 1.00 60.26 O +ANISOU 1756 OE2 GLU A 928 6095 9922 6879 2786 305 2836 O +ATOM 1757 N LYS A 929 36.065 196.532 26.772 1.00 51.57 N +ANISOU 1757 N LYS A 929 5161 8177 6256 2633 603 2112 N +ATOM 1758 CA LYS A 929 37.207 196.871 25.912 1.00 54.70 C +ANISOU 1758 CA LYS A 929 5404 8709 6669 2674 633 2079 C +ATOM 1759 C LYS A 929 37.004 198.136 25.035 1.00 52.54 C +ANISOU 1759 C LYS A 929 5154 8429 6376 2410 578 1835 C +ATOM 1760 O LYS A 929 37.948 198.586 24.375 1.00 52.72 O +ANISOU 1760 O LYS A 929 5035 8598 6396 2405 590 1802 O +ATOM 1761 CB LYS A 929 37.578 195.684 25.028 1.00 57.73 C +ANISOU 1761 CB LYS A 929 5870 8863 7200 2921 825 2147 C +ATOM 1762 CG LYS A 929 38.075 194.482 25.811 1.00 64.34 C +ANISOU 1762 CG LYS A 929 6641 9732 8073 3221 899 2423 C +ATOM 1763 CD LYS A 929 38.850 193.526 24.913 1.00 70.29 C +ANISOU 1763 CD LYS A 929 7397 10344 8966 3480 1090 2490 C +ATOM 1764 CE LYS A 929 39.345 192.306 25.672 1.00 77.53 C +ANISOU 1764 CE LYS A 929 8252 11264 9938 3806 1182 2788 C +ATOM 1765 NZ LYS A 929 38.176 191.612 26.286 1.00 80.66 N +ANISOU 1765 NZ LYS A 929 8874 11386 10384 3803 1218 2841 N +ATOM 1766 N GLY A 930 35.797 198.699 25.017 1.00 47.42 N +ANISOU 1766 N GLY A 930 4677 7619 5721 2201 527 1678 N +ATOM 1767 CA GLY A 930 35.542 199.984 24.327 1.00 45.82 C +ANISOU 1767 CA GLY A 930 4491 7420 5499 1953 468 1475 C +ATOM 1768 C GLY A 930 34.892 199.827 22.966 1.00 44.43 C +ANISOU 1768 C GLY A 930 4515 6947 5419 1916 571 1337 C +ATOM 1769 O GLY A 930 34.729 200.788 22.238 1.00 42.67 O +ANISOU 1769 O GLY A 930 4310 6713 5188 1744 544 1196 O +ATOM 1770 N GLU A 931 34.551 198.599 22.608 1.00 46.44 N +ANISOU 1770 N GLU A 931 4916 6967 5762 2077 697 1381 N +ATOM 1771 CA GLU A 931 33.885 198.337 21.352 1.00 43.53 C +ANISOU 1771 CA GLU A 931 4739 6332 5468 2036 798 1239 C +ATOM 1772 C GLU A 931 32.422 198.727 21.469 1.00 39.04 C +ANISOU 1772 C GLU A 931 4341 5603 4887 1849 738 1119 C +ATOM 1773 O GLU A 931 31.830 198.628 22.536 1.00 35.39 O +ANISOU 1773 O GLU A 931 3903 5145 4398 1827 675 1176 O +ATOM 1774 CB GLU A 931 34.026 196.867 20.988 1.00 47.72 C +ANISOU 1774 CB GLU A 931 5370 6659 6102 2261 965 1309 C +ATOM 1775 CG GLU A 931 33.201 196.429 19.802 1.00 49.02 C +ANISOU 1775 CG GLU A 931 5751 6539 6333 2207 1076 1146 C +ATOM 1776 CD GLU A 931 33.453 194.984 19.403 1.00 56.40 C +ANISOU 1776 CD GLU A 931 6784 7262 7382 2424 1265 1191 C +ATOM 1777 OE1 GLU A 931 32.591 194.474 18.632 1.00 56.59 O +ANISOU 1777 OE1 GLU A 931 7009 7033 7459 2363 1356 1050 O +ATOM 1778 OE2 GLU A 931 34.493 194.375 19.841 1.00 53.70 O +ANISOU 1778 OE2 GLU A 931 6317 7009 7077 2651 1325 1363 O +ATOM 1779 N ARG A 932 31.854 199.204 20.359 1.00 35.16 N +ANISOU 1779 N ARG A 932 3954 4995 4408 1715 757 961 N +ATOM 1780 CA ARG A 932 30.467 199.588 20.303 1.00 33.55 C +ANISOU 1780 CA ARG A 932 3900 4651 4196 1547 709 848 C +ATOM 1781 C ARG A 932 29.876 199.167 18.970 1.00 34.08 C +ANISOU 1781 C ARG A 932 4124 4519 4305 1519 807 722 C +ATOM 1782 O ARG A 932 30.581 198.718 18.108 1.00 33.54 O +ANISOU 1782 O ARG A 932 4045 4433 4263 1614 908 710 O +ATOM 1783 CB ARG A 932 30.317 201.117 20.431 1.00 33.81 C +ANISOU 1783 CB ARG A 932 3854 4826 4164 1354 583 778 C +ATOM 1784 CG ARG A 932 30.845 201.701 21.743 1.00 33.48 C +ANISOU 1784 CG ARG A 932 3654 5006 4062 1332 476 858 C +ATOM 1785 CD ARG A 932 29.991 201.278 22.900 1.00 33.87 C +ANISOU 1785 CD ARG A 932 3768 5007 4093 1337 436 904 C +ATOM 1786 NE ARG A 932 30.370 201.906 24.148 1.00 32.94 N +ANISOU 1786 NE ARG A 932 3506 5118 3892 1290 329 955 N +ATOM 1787 CZ ARG A 932 31.306 201.471 24.994 1.00 34.79 C +ANISOU 1787 CZ ARG A 932 3593 5545 4078 1415 311 1098 C +ATOM 1788 NH1 ARG A 932 31.523 202.129 26.133 1.00 35.08 N +ANISOU 1788 NH1 ARG A 932 3501 5810 4016 1337 204 1117 N +ATOM 1789 NH2 ARG A 932 31.965 200.356 24.767 1.00 36.55 N +ANISOU 1789 NH2 ARG A 932 3799 5739 4348 1621 403 1224 N +ATOM 1790 N LEU A 933 28.570 199.360 18.802 1.00 31.95 N +ANISOU 1790 N LEU A 933 3988 4122 4028 1380 776 622 N +ATOM 1791 CA LEU A 933 27.915 199.034 17.557 1.00 33.24 C +ANISOU 1791 CA LEU A 933 4288 4135 4206 1324 852 491 C +ATOM 1792 C LEU A 933 28.463 199.931 16.449 1.00 33.92 C +ANISOU 1792 C LEU A 933 4305 4337 4245 1262 845 431 C +ATOM 1793 O LEU A 933 28.745 201.117 16.693 1.00 33.63 O +ANISOU 1793 O LEU A 933 4158 4449 4168 1177 749 454 O +ATOM 1794 CB LEU A 933 26.404 199.236 17.683 1.00 31.37 C +ANISOU 1794 CB LEU A 933 4169 3796 3955 1175 795 410 C +ATOM 1795 CG LEU A 933 25.670 198.221 18.605 1.00 31.53 C +ANISOU 1795 CG LEU A 933 4287 3669 4024 1214 826 454 C +ATOM 1796 CD1 LEU A 933 24.345 198.743 19.067 1.00 30.90 C +ANISOU 1796 CD1 LEU A 933 4257 3567 3914 1063 737 406 C +ATOM 1797 CD2 LEU A 933 25.534 196.879 17.905 1.00 33.11 C +ANISOU 1797 CD2 LEU A 933 4622 3666 4290 1284 978 398 C +ATOM 1798 N PRO A 934 28.553 199.397 15.244 1.00 35.14 N +ANISOU 1798 N PRO A 934 4530 4419 4402 1289 953 346 N +ATOM 1799 CA PRO A 934 29.198 200.127 14.179 1.00 35.29 C +ANISOU 1799 CA PRO A 934 4476 4562 4369 1251 966 310 C +ATOM 1800 C PRO A 934 28.299 201.198 13.556 1.00 34.32 C +ANISOU 1800 C PRO A 934 4388 4470 4182 1069 885 237 C +ATOM 1801 O PRO A 934 27.076 201.225 13.786 1.00 33.90 O +ANISOU 1801 O PRO A 934 4428 4327 4124 978 833 190 O +ATOM 1802 CB PRO A 934 29.575 199.024 13.176 1.00 39.23 C +ANISOU 1802 CB PRO A 934 5048 4969 4886 1357 1125 239 C +ATOM 1803 CG PRO A 934 28.493 198.000 13.349 1.00 39.73 C +ANISOU 1803 CG PRO A 934 5282 4821 4992 1347 1173 168 C +ATOM 1804 CD PRO A 934 28.147 198.036 14.819 1.00 38.77 C +ANISOU 1804 CD PRO A 934 5139 4680 4912 1358 1084 278 C +ATOM 1805 N GLN A 935 28.928 202.100 12.827 1.00 32.57 N +ANISOU 1805 N GLN A 935 4076 4382 3915 1024 877 245 N +ATOM 1806 CA GLN A 935 28.239 203.154 12.107 1.00 31.87 C +ANISOU 1806 CA GLN A 935 4007 4333 3769 876 818 207 C +ATOM 1807 C GLN A 935 27.352 202.605 11.004 1.00 31.97 C +ANISOU 1807 C GLN A 935 4147 4274 3724 834 872 97 C +ATOM 1808 O GLN A 935 27.842 202.013 10.058 1.00 32.07 O +ANISOU 1808 O GLN A 935 4179 4303 3702 886 976 42 O +ATOM 1809 CB GLN A 935 29.271 204.134 11.537 1.00 32.91 C +ANISOU 1809 CB GLN A 935 4011 4621 3872 850 823 260 C +ATOM 1810 CG GLN A 935 28.658 205.434 11.012 1.00 33.32 C +ANISOU 1810 CG GLN A 935 4062 4712 3884 705 756 268 C +ATOM 1811 CD GLN A 935 29.693 206.530 10.743 1.00 34.42 C +ANISOU 1811 CD GLN A 935 4069 4986 4021 660 756 341 C +ATOM 1812 OE1 GLN A 935 30.898 206.303 11.174 1.00 36.25 O +ANISOU 1812 OE1 GLN A 935 4298 5248 4227 559 734 368 O +ATOM 1813 NE2 GLN A 935 29.391 207.564 10.119 1.00 35.36 N +ANISOU 1813 NE2 GLN A 935 4076 5188 4170 734 788 383 N +ATOM 1814 N PRO A 936 26.016 202.784 11.111 1.00 29.84 N +ANISOU 1814 N PRO A 936 3959 3940 3437 734 805 54 N +ATOM 1815 CA PRO A 936 25.192 202.287 10.022 1.00 31.56 C +ANISOU 1815 CA PRO A 936 4277 4131 3581 675 848 -58 C +ATOM 1816 C PRO A 936 25.533 203.002 8.686 1.00 33.31 C +ANISOU 1816 C PRO A 936 4454 4498 3703 628 868 -60 C +ATOM 1817 O PRO A 936 25.865 204.187 8.689 1.00 35.38 O +ANISOU 1817 O PRO A 936 4627 4854 3960 592 811 33 O +ATOM 1818 CB PRO A 936 23.774 202.623 10.473 1.00 30.69 C +ANISOU 1818 CB PRO A 936 4217 3973 3468 572 752 -72 C +ATOM 1819 CG PRO A 936 23.867 202.713 11.966 1.00 32.29 C +ANISOU 1819 CG PRO A 936 4388 4117 3762 612 698 4 C +ATOM 1820 CD PRO A 936 25.213 203.322 12.221 1.00 31.47 C +ANISOU 1820 CD PRO A 936 4166 4107 3684 675 698 94 C +ATOM 1821 N PRO A 937 25.486 202.295 7.579 1.00 36.00 N +ANISOU 1821 N PRO A 937 4855 4858 3964 625 958 -167 N +ATOM 1822 CA PRO A 937 25.795 202.916 6.284 1.00 36.01 C +ANISOU 1822 CA PRO A 937 4812 5020 3847 582 983 -164 C +ATOM 1823 C PRO A 937 25.102 204.249 5.948 1.00 34.57 C +ANISOU 1823 C PRO A 937 4586 4943 3603 476 877 -78 C +ATOM 1824 O PRO A 937 25.713 205.111 5.325 1.00 34.41 O +ANISOU 1824 O PRO A 937 4489 5046 3537 464 884 4 O +ATOM 1825 CB PRO A 937 25.355 201.830 5.284 1.00 39.42 C +ANISOU 1825 CB PRO A 937 5347 5444 4187 558 1076 -333 C +ATOM 1826 CG PRO A 937 25.594 200.539 6.019 1.00 40.50 C +ANISOU 1826 CG PRO A 937 5557 5396 4435 653 1160 -403 C +ATOM 1827 CD PRO A 937 25.339 200.827 7.468 1.00 38.44 C +ANISOU 1827 CD PRO A 937 5273 5039 4292 673 1064 -297 C +ATOM 1828 N ILE A 938 23.826 204.400 6.278 1.00 32.69 N +ANISOU 1828 N ILE A 938 4394 4660 3363 404 792 -91 N +ATOM 1829 CA ILE A 938 23.136 205.617 5.944 1.00 32.72 C +ANISOU 1829 CA ILE A 938 4357 4756 3320 328 704 1 C +ATOM 1830 C ILE A 938 23.514 206.819 6.810 1.00 31.78 C +ANISOU 1830 C ILE A 938 4161 4605 3307 335 643 138 C +ATOM 1831 O ILE A 938 23.113 207.921 6.493 1.00 32.95 O +ANISOU 1831 O ILE A 938 4273 4810 3437 287 594 233 O +ATOM 1832 CB ILE A 938 21.589 205.452 5.990 1.00 29.62 C +ANISOU 1832 CB ILE A 938 4019 4347 2887 252 633 -51 C +ATOM 1833 CG1 ILE A 938 21.109 205.145 7.403 1.00 29.12 C +ANISOU 1833 CG1 ILE A 938 3988 4127 2948 266 587 -63 C +ATOM 1834 CG2 ILE A 938 21.147 204.403 4.974 1.00 30.76 C +ANISOU 1834 CG2 ILE A 938 4230 4554 2902 206 691 -202 C +ATOM 1835 CD1 ILE A 938 19.592 205.220 7.567 1.00 29.06 C +ANISOU 1835 CD1 ILE A 938 4006 4119 2915 189 509 -86 C +ATOM 1836 N CYS A 939 24.196 206.597 7.921 1.00 30.65 N +ANISOU 1836 N CYS A 939 3997 4374 3275 390 647 147 N +ATOM 1837 CA CYS A 939 24.378 207.627 8.936 1.00 30.25 C +ANISOU 1837 CA CYS A 939 3884 4285 3323 373 583 237 C +ATOM 1838 C CYS A 939 25.614 208.453 8.642 1.00 30.73 C +ANISOU 1838 C CYS A 939 3848 4426 3399 373 618 321 C +ATOM 1839 O CYS A 939 26.730 207.918 8.592 1.00 32.92 O +ANISOU 1839 O CYS A 939 4081 4746 3680 433 682 309 O +ATOM 1840 CB CYS A 939 24.576 207.023 10.329 1.00 31.61 C +ANISOU 1840 CB CYS A 939 4061 4362 3585 423 565 211 C +ATOM 1841 SG CYS A 939 23.076 206.244 10.933 1.00 32.99 S +ANISOU 1841 SG CYS A 939 4339 4428 3767 403 521 134 S +ATOM 1842 N THR A 940 25.426 209.760 8.631 1.00 28.02 N +ANISOU 1842 N THR A 940 3467 4090 3087 307 577 410 N +ATOM 1843 CA THR A 940 26.545 210.684 8.670 1.00 27.65 C +ANISOU 1843 CA THR A 940 3326 4089 3090 277 603 490 C +ATOM 1844 C THR A 940 27.228 210.598 10.013 1.00 27.47 C +ANISOU 1844 C THR A 940 3248 4029 3159 291 580 468 C +ATOM 1845 O THR A 940 26.648 210.069 10.954 1.00 26.18 O +ANISOU 1845 O THR A 940 3127 3791 3026 316 533 414 O +ATOM 1846 CB THR A 940 26.050 212.121 8.428 1.00 28.04 C +ANISOU 1846 CB THR A 940 3366 4111 3175 199 577 589 C +ATOM 1847 OG1 THR A 940 25.036 212.464 9.395 1.00 27.18 O +ANISOU 1847 OG1 THR A 940 3299 3888 3139 178 505 570 O +ATOM 1848 CG2 THR A 940 25.500 212.225 6.980 1.00 28.84 C +ANISOU 1848 CG2 THR A 940 3498 4299 3160 195 602 643 C +ATOM 1849 N ILE A 941 28.433 211.152 10.118 1.00 27.79 N +ANISOU 1849 N ILE A 941 3184 4138 3235 265 610 514 N +ATOM 1850 CA ILE A 941 29.096 211.252 11.406 1.00 29.19 C +ANISOU 1850 CA ILE A 941 3285 4320 3484 256 576 498 C +ATOM 1851 C ILE A 941 28.268 211.982 12.475 1.00 29.24 C +ANISOU 1851 C ILE A 941 3323 4225 3561 186 500 478 C +ATOM 1852 O ILE A 941 28.327 211.672 13.695 1.00 27.22 O +ANISOU 1852 O ILE A 941 3045 3962 3333 199 453 436 O +ATOM 1853 CB ILE A 941 30.521 211.828 11.265 1.00 29.34 C +ANISOU 1853 CB ILE A 941 3168 4456 3523 213 621 547 C +ATOM 1854 CG1 ILE A 941 31.208 211.930 12.617 1.00 30.67 C +ANISOU 1854 CG1 ILE A 941 3237 4670 3744 190 575 524 C +ATOM 1855 CG2 ILE A 941 30.517 213.190 10.569 1.00 31.27 C +ANISOU 1855 CG2 ILE A 941 3400 4685 3796 97 646 618 C +ATOM 1856 CD1 ILE A 941 32.700 211.989 12.490 1.00 34.24 C +ANISOU 1856 CD1 ILE A 941 3535 5281 4190 186 622 560 C +ATOM 1857 N ASP A 942 27.491 212.957 12.049 1.00 29.38 N +ANISOU 1857 N ASP A 942 3388 4170 3605 119 492 514 N +ATOM 1858 CA ASP A 942 26.679 213.711 12.990 1.00 30.30 C +ANISOU 1858 CA ASP A 942 3536 4178 3795 61 439 490 C +ATOM 1859 C ASP A 942 25.702 212.790 13.705 1.00 30.15 C +ANISOU 1859 C ASP A 942 3588 4112 3753 122 386 424 C +ATOM 1860 O ASP A 942 25.517 212.896 14.928 1.00 29.86 O +ANISOU 1860 O ASP A 942 3544 4043 3758 100 343 375 O +ATOM 1861 CB ASP A 942 25.875 214.783 12.258 1.00 31.41 C +ANISOU 1861 CB ASP A 942 3726 4239 3969 15 453 560 C +ATOM 1862 CG ASP A 942 26.725 215.741 11.508 1.00 32.91 C +ANISOU 1862 CG ASP A 942 3859 4455 4189 -50 517 645 C +ATOM 1863 OD1 ASP A 942 27.319 215.421 10.442 1.00 33.54 O +ANISOU 1863 OD1 ASP A 942 3911 4635 4195 -25 566 698 O +ATOM 1864 OD2 ASP A 942 26.787 216.866 11.960 1.00 34.70 O +ANISOU 1864 OD2 ASP A 942 4072 4595 4517 -136 528 659 O +ATOM 1865 N VAL A 943 25.038 211.903 12.956 1.00 31.47 N +ANISOU 1865 N VAL A 943 3825 4281 3850 186 395 417 N +ATOM 1866 CA VAL A 943 24.090 210.964 13.582 1.00 28.30 C +ANISOU 1866 CA VAL A 943 3493 3828 3431 230 357 355 C +ATOM 1867 C VAL A 943 24.794 209.882 14.387 1.00 30.79 C +ANISOU 1867 C VAL A 943 3786 4172 3740 295 362 320 C +ATOM 1868 O VAL A 943 24.371 209.555 15.517 1.00 29.85 O +ANISOU 1868 O VAL A 943 3683 4015 3642 305 322 289 O +ATOM 1869 CB VAL A 943 23.116 210.341 12.568 1.00 30.19 C +ANISOU 1869 CB VAL A 943 3809 4063 3596 253 366 341 C +ATOM 1870 CG1 VAL A 943 22.213 209.320 13.243 1.00 29.89 C +ANISOU 1870 CG1 VAL A 943 3839 3968 3549 281 339 272 C +ATOM 1871 CG2 VAL A 943 22.276 211.429 11.896 1.00 28.80 C +ANISOU 1871 CG2 VAL A 943 3643 3877 3421 206 349 402 C +ATOM 1872 N TYR A 944 25.867 209.327 13.859 1.00 27.39 N +ANISOU 1872 N TYR A 944 3311 3814 3280 349 417 335 N +ATOM 1873 CA TYR A 944 26.602 208.343 14.634 1.00 28.18 C +ANISOU 1873 CA TYR A 944 3375 3946 3384 434 429 328 C +ATOM 1874 C TYR A 944 27.163 208.891 15.924 1.00 29.57 C +ANISOU 1874 C TYR A 944 3459 4177 3598 401 378 344 C +ATOM 1875 O TYR A 944 27.189 208.181 16.939 1.00 31.18 O +ANISOU 1875 O TYR A 944 3656 4388 3801 458 355 344 O +ATOM 1876 CB TYR A 944 27.709 207.734 13.823 1.00 29.66 C +ANISOU 1876 CB TYR A 944 3516 4210 3542 510 508 347 C +ATOM 1877 CG TYR A 944 28.355 206.514 14.440 1.00 30.48 C +ANISOU 1877 CG TYR A 944 3597 4328 3654 635 542 356 C +ATOM 1878 CD1 TYR A 944 27.601 205.428 14.912 1.00 29.08 C +ANISOU 1878 CD1 TYR A 944 3518 4045 3485 698 548 326 C +ATOM 1879 CD2 TYR A 944 29.736 206.429 14.535 1.00 31.64 C +ANISOU 1879 CD2 TYR A 944 3618 4598 3805 697 577 406 C +ATOM 1880 CE1 TYR A 944 28.217 204.323 15.484 1.00 30.69 C +ANISOU 1880 CE1 TYR A 944 3703 4247 3709 829 592 360 C +ATOM 1881 CE2 TYR A 944 30.357 205.318 15.039 1.00 32.13 C +ANISOU 1881 CE2 TYR A 944 3649 4680 3879 837 617 438 C +ATOM 1882 CZ TYR A 944 29.607 204.276 15.550 1.00 30.34 C +ANISOU 1882 CZ TYR A 944 3528 4330 3669 908 626 423 C +ATOM 1883 OH TYR A 944 30.302 203.203 16.065 1.00 31.55 O +ANISOU 1883 OH TYR A 944 3645 4496 3847 1064 678 482 O +ATOM 1884 N MET A 945 27.642 210.127 15.902 1.00 27.38 N +ANISOU 1884 N MET A 945 3108 3945 3350 305 365 359 N +ATOM 1885 CA MET A 945 28.179 210.745 17.105 1.00 32.97 C +ANISOU 1885 CA MET A 945 3723 4720 4084 242 317 346 C +ATOM 1886 C MET A 945 27.153 210.789 18.238 1.00 32.60 C +ANISOU 1886 C MET A 945 3733 4606 4046 218 257 299 C +ATOM 1887 O MET A 945 27.499 210.521 19.391 1.00 32.23 O +ANISOU 1887 O MET A 945 3627 4638 3978 229 219 290 O +ATOM 1888 CB MET A 945 28.658 212.158 16.820 1.00 37.14 C +ANISOU 1888 CB MET A 945 4188 5264 4658 113 328 349 C +ATOM 1889 CG MET A 945 29.360 212.807 17.996 1.00 43.19 C +ANISOU 1889 CG MET A 945 4844 6122 5442 21 288 311 C +ATOM 1890 SD MET A 945 31.003 212.073 18.315 1.00 54.86 S +ANISOU 1890 SD MET A 945 6149 7827 6866 85 293 353 S +ATOM 1891 CE MET A 945 31.814 212.562 16.783 1.00 50.80 C +ANISOU 1891 CE MET A 945 5591 7338 6371 53 378 407 C +ATOM 1892 N ILE A 946 25.897 211.085 17.910 1.00 30.95 N +ANISOU 1892 N ILE A 946 3628 4273 3857 192 251 277 N +ATOM 1893 CA ILE A 946 24.854 211.023 18.904 1.00 30.52 C +ANISOU 1893 CA ILE A 946 3628 4161 3808 181 206 233 C +ATOM 1894 C ILE A 946 24.740 209.631 19.524 1.00 29.48 C +ANISOU 1894 C ILE A 946 3521 4049 3630 279 198 244 C +ATOM 1895 O ILE A 946 24.661 209.483 20.733 1.00 29.60 O +ANISOU 1895 O ILE A 946 3511 4105 3628 277 160 230 O +ATOM 1896 CB ILE A 946 23.483 211.456 18.354 1.00 32.77 C +ANISOU 1896 CB ILE A 946 4006 4325 4117 156 206 221 C +ATOM 1897 CG1 ILE A 946 23.549 212.913 17.935 1.00 36.65 C +ANISOU 1897 CG1 ILE A 946 4477 4776 4672 70 222 230 C +ATOM 1898 CG2 ILE A 946 22.412 211.256 19.432 1.00 32.05 C +ANISOU 1898 CG2 ILE A 946 3960 4190 4025 154 166 175 C +ATOM 1899 CD1 ILE A 946 22.300 213.309 17.155 1.00 39.23 C +ANISOU 1899 CD1 ILE A 946 4878 5009 5016 75 229 256 C +ATOM 1900 N MET A 947 24.739 208.618 18.685 1.00 29.49 N +ANISOU 1900 N MET A 947 3571 4020 3610 361 243 268 N +ATOM 1901 CA MET A 947 24.669 207.259 19.155 1.00 30.93 C +ANISOU 1901 CA MET A 947 3792 4187 3772 458 259 287 C +ATOM 1902 C MET A 947 25.810 206.945 20.066 1.00 30.73 C +ANISOU 1902 C MET A 947 3661 4282 3730 517 249 339 C +ATOM 1903 O MET A 947 25.587 206.383 21.138 1.00 29.40 O +ANISOU 1903 O MET A 947 3496 4130 3544 556 225 363 O +ATOM 1904 CB MET A 947 24.745 206.285 17.998 1.00 32.82 C +ANISOU 1904 CB MET A 947 4093 4373 4002 531 332 289 C +ATOM 1905 CG MET A 947 23.392 205.947 17.420 1.00 37.87 C +ANISOU 1905 CG MET A 947 4850 4903 4633 498 341 237 C +ATOM 1906 SD MET A 947 23.582 204.951 15.902 1.00 41.19 S +ANISOU 1906 SD MET A 947 5337 5286 5024 551 435 202 S +ATOM 1907 CE MET A 947 23.305 206.304 14.879 1.00 33.45 C +ANISOU 1907 CE MET A 947 4331 4360 4017 456 405 199 C +ATOM 1908 N VAL A 948 27.037 207.247 19.602 1.00 29.74 N +ANISOU 1908 N VAL A 948 3435 4259 3603 529 271 367 N +ATOM 1909 CA VAL A 948 28.222 207.013 20.387 1.00 30.51 C +ANISOU 1909 CA VAL A 948 3402 4514 3677 584 257 425 C +ATOM 1910 C VAL A 948 28.139 207.714 21.739 1.00 29.25 C +ANISOU 1910 C VAL A 948 3176 4448 3489 498 176 402 C +ATOM 1911 O VAL A 948 28.530 207.146 22.763 1.00 31.06 O +ANISOU 1911 O VAL A 948 3339 4789 3673 562 149 457 O +ATOM 1912 CB VAL A 948 29.522 207.428 19.625 1.00 33.98 C +ANISOU 1912 CB VAL A 948 3723 5067 4118 582 292 450 C +ATOM 1913 CG1 VAL A 948 30.729 207.431 20.550 1.00 35.72 C +ANISOU 1913 CG1 VAL A 948 3771 5495 4303 609 258 504 C +ATOM 1914 CG2 VAL A 948 29.805 206.446 18.485 1.00 36.09 C +ANISOU 1914 CG2 VAL A 948 4038 5279 4393 704 384 477 C +ATOM 1915 N LYS A 949 27.660 208.955 21.776 1.00 28.30 N +ANISOU 1915 N LYS A 949 3068 4293 3391 356 145 325 N +ATOM 1916 CA LYS A 949 27.554 209.643 23.045 1.00 29.77 C +ANISOU 1916 CA LYS A 949 3200 4562 3549 262 82 274 C +ATOM 1917 C LYS A 949 26.592 208.945 24.043 1.00 29.77 C +ANISOU 1917 C LYS A 949 3268 4531 3509 309 54 279 C +ATOM 1918 O LYS A 949 26.812 208.996 25.268 1.00 28.46 O +ANISOU 1918 O LYS A 949 3030 4504 3280 286 5 274 O +ATOM 1919 CB LYS A 949 27.100 211.074 22.831 1.00 32.69 C +ANISOU 1919 CB LYS A 949 3595 4851 3974 112 79 182 C +ATOM 1920 CG LYS A 949 28.184 211.980 22.292 1.00 38.05 C +ANISOU 1920 CG LYS A 949 4175 5597 4683 24 99 172 C +ATOM 1921 CD LYS A 949 27.522 213.315 21.989 1.00 43.61 C +ANISOU 1921 CD LYS A 949 4942 6160 5467 -103 119 100 C +ATOM 1922 CE LYS A 949 28.518 214.315 21.457 1.00 52.71 C +ANISOU 1922 CE LYS A 949 6010 7349 6667 -215 153 91 C +ATOM 1923 NZ LYS A 949 27.801 215.603 21.313 1.00 57.97 N +ANISOU 1923 NZ LYS A 949 6749 7850 7425 -328 183 29 N +ATOM 1924 N CYS A 950 25.538 208.325 23.509 1.00 29.25 N +ANISOU 1924 N CYS A 950 3335 4303 3474 360 87 286 N +ATOM 1925 CA CYS A 950 24.644 207.529 24.316 1.00 30.13 C +ANISOU 1925 CA CYS A 950 3514 4375 3557 406 77 305 C +ATOM 1926 C CYS A 950 25.314 206.319 24.992 1.00 31.10 C +ANISOU 1926 C CYS A 950 3591 4593 3632 534 85 415 C +ATOM 1927 O CYS A 950 24.744 205.768 25.916 1.00 29.31 O +ANISOU 1927 O CYS A 950 3394 4373 3367 562 72 448 O +ATOM 1928 CB CYS A 950 23.448 207.061 23.502 1.00 27.76 C +ANISOU 1928 CB CYS A 950 3352 3894 3299 421 116 287 C +ATOM 1929 SG CYS A 950 22.355 208.365 22.974 1.00 28.05 S +ANISOU 1929 SG CYS A 950 3441 3832 3383 301 102 193 S +ATOM 1930 N TRP A 951 26.492 205.907 24.495 1.00 31.07 N +ANISOU 1930 N TRP A 951 3512 4660 3632 620 114 481 N +ATOM 1931 CA TRP A 951 27.192 204.726 24.927 1.00 31.88 C +ANISOU 1931 CA TRP A 951 3568 4833 3709 773 141 607 C +ATOM 1932 C TRP A 951 28.537 205.008 25.608 1.00 32.39 C +ANISOU 1932 C TRP A 951 3444 5153 3709 795 94 668 C +ATOM 1933 O TRP A 951 29.422 204.141 25.691 1.00 34.49 O +ANISOU 1933 O TRP A 951 3634 5504 3963 944 125 789 O +ATOM 1934 CB TRP A 951 27.415 203.777 23.737 1.00 31.76 C +ANISOU 1934 CB TRP A 951 3624 4681 3759 890 237 643 C +ATOM 1935 CG TRP A 951 26.186 203.424 22.954 1.00 29.04 C +ANISOU 1935 CG TRP A 951 3450 4117 3466 859 284 574 C +ATOM 1936 CD1 TRP A 951 24.933 203.234 23.429 1.00 28.07 C +ANISOU 1936 CD1 TRP A 951 3428 3893 3343 810 271 544 C +ATOM 1937 CD2 TRP A 951 26.115 203.183 21.547 1.00 29.08 C +ANISOU 1937 CD2 TRP A 951 3530 4002 3514 870 355 523 C +ATOM 1938 NE1 TRP A 951 24.074 202.905 22.405 1.00 29.08 N +ANISOU 1938 NE1 TRP A 951 3681 3852 3514 782 322 477 N +ATOM 1939 CE2 TRP A 951 24.775 202.873 21.237 1.00 28.52 C +ANISOU 1939 CE2 TRP A 951 3600 3772 3464 816 372 459 C +ATOM 1940 CE3 TRP A 951 27.038 203.212 20.523 1.00 31.10 C +ANISOU 1940 CE3 TRP A 951 3741 4291 3784 913 405 522 C +ATOM 1941 CZ2 TRP A 951 24.356 202.587 19.954 1.00 29.90 C +ANISOU 1941 CZ2 TRP A 951 3865 3832 3660 798 431 390 C +ATOM 1942 CZ3 TRP A 951 26.623 202.909 19.246 1.00 32.80 C +ANISOU 1942 CZ3 TRP A 951 4057 4383 4022 904 472 455 C +ATOM 1943 CH2 TRP A 951 25.277 202.620 18.970 1.00 30.18 C +ANISOU 1943 CH2 TRP A 951 3861 3906 3698 841 480 385 C +ATOM 1944 N MET A 952 28.658 206.198 26.160 1.00 33.03 N +ANISOU 1944 N MET A 952 3442 5360 3744 646 24 583 N +ATOM 1945 CA MET A 952 29.768 206.579 26.958 1.00 35.06 C +ANISOU 1945 CA MET A 952 3514 5887 3919 621 -34 610 C +ATOM 1946 C MET A 952 29.697 205.843 28.286 1.00 37.33 C +ANISOU 1946 C MET A 952 3758 6316 4109 702 -74 711 C +ATOM 1947 O MET A 952 28.617 205.600 28.792 1.00 32.01 O +ANISOU 1947 O MET A 952 3196 5541 3426 692 -76 697 O +ATOM 1948 CB MET A 952 29.702 208.047 27.283 1.00 39.43 C +ANISOU 1948 CB MET A 952 4021 6506 4455 413 -88 462 C +ATOM 1949 CG MET A 952 29.632 208.929 26.083 1.00 43.85 C +ANISOU 1949 CG MET A 952 4634 6916 5111 316 -47 373 C +ATOM 1950 SD MET A 952 31.249 209.497 25.680 1.00 50.27 S +ANISOU 1950 SD MET A 952 5255 7927 5916 264 -49 382 S +ATOM 1951 CE MET A 952 30.787 211.222 25.735 1.00 50.18 C +ANISOU 1951 CE MET A 952 5276 7837 5953 17 -63 205 C +ATOM 1952 N ILE A 953 30.856 205.550 28.850 1.00 36.88 N +ANISOU 1952 N ILE A 953 3524 6515 3973 777 -107 816 N +ATOM 1953 CA ILE A 953 30.938 204.906 30.133 1.00 41.07 C +ANISOU 1953 CA ILE A 953 3981 7233 4389 861 -152 938 C +ATOM 1954 C ILE A 953 30.433 205.793 31.265 1.00 42.06 C +ANISOU 1954 C ILE A 953 4077 7499 4405 687 -234 822 C +ATOM 1955 O ILE A 953 29.826 205.292 32.204 1.00 41.77 O +ANISOU 1955 O ILE A 953 4076 7502 4293 727 -251 886 O +ATOM 1956 CB ILE A 953 32.365 204.398 30.387 1.00 44.57 C +ANISOU 1956 CB ILE A 953 4218 7946 4768 997 -168 1095 C +ATOM 1957 CG1 ILE A 953 32.569 203.129 29.570 1.00 49.47 C +ANISOU 1957 CG1 ILE A 953 4909 8389 5495 1227 -61 1244 C +ATOM 1958 CG2 ILE A 953 32.613 204.089 31.853 1.00 48.95 C +ANISOU 1958 CG2 ILE A 953 4641 8794 5161 1039 -244 1211 C +ATOM 1959 CD1 ILE A 953 33.951 202.546 29.666 1.00 55.15 C +ANISOU 1959 CD1 ILE A 953 5431 9341 6179 1401 -54 1415 C +ATOM 1960 N ASP A 954 30.705 207.098 31.216 1.00 42.34 N +ANISOU 1960 N ASP A 954 4046 7613 4427 491 -276 653 N +ATOM 1961 CA ASP A 954 30.250 207.957 32.278 1.00 43.69 C +ANISOU 1961 CA ASP A 954 4194 7906 4499 322 -338 518 C +ATOM 1962 C ASP A 954 28.805 208.301 31.974 1.00 39.37 C +ANISOU 1962 C ASP A 954 3851 7063 4043 256 -294 405 C +ATOM 1963 O ASP A 954 28.520 209.013 31.019 1.00 35.02 O +ANISOU 1963 O ASP A 954 3381 6313 3612 176 -255 299 O +ATOM 1964 CB ASP A 954 31.068 209.224 32.403 1.00 48.75 C +ANISOU 1964 CB ASP A 954 4692 8726 5102 124 -384 365 C +ATOM 1965 CG ASP A 954 30.518 210.129 33.503 1.00 55.30 C +ANISOU 1965 CG ASP A 954 5518 9657 5834 -61 -430 192 C +ATOM 1966 OD1 ASP A 954 30.131 209.591 34.546 1.00 64.70 O +ANISOU 1966 OD1 ASP A 954 6699 10984 6900 -10 -465 252 O +ATOM 1967 OD2 ASP A 954 30.407 211.354 33.328 1.00 58.44 O +ANISOU 1967 OD2 ASP A 954 5935 9981 6285 -253 -418 -1 O +ATOM 1968 N ALA A 955 27.881 207.774 32.759 1.00 35.85 N +ANISOU 1968 N ALA A 955 3482 6596 3541 298 -296 442 N +ATOM 1969 CA ALA A 955 26.468 207.924 32.457 1.00 35.85 C +ANISOU 1969 CA ALA A 955 3663 6329 3626 262 -250 361 C +ATOM 1970 C ALA A 955 26.019 209.401 32.370 1.00 34.98 C +ANISOU 1970 C ALA A 955 3584 6146 3561 69 -252 145 C +ATOM 1971 O ALA A 955 25.159 209.762 31.577 1.00 33.51 O +ANISOU 1971 O ALA A 955 3525 5713 3494 43 -205 79 O +ATOM 1972 CB ALA A 955 25.641 207.218 33.527 1.00 36.69 C +ANISOU 1972 CB ALA A 955 3815 6484 3641 313 -256 431 C +ATOM 1973 N ASP A 956 26.600 210.232 33.212 1.00 39.06 N +ANISOU 1973 N ASP A 956 3979 6883 3979 -63 -302 37 N +ATOM 1974 CA ASP A 956 26.248 211.625 33.255 1.00 43.34 C +ANISOU 1974 CA ASP A 956 4547 7351 4567 -247 -288 -173 C +ATOM 1975 C ASP A 956 26.800 212.377 32.061 1.00 43.60 C +ANISOU 1975 C ASP A 956 4581 7247 4737 -308 -254 -223 C +ATOM 1976 O ASP A 956 26.404 213.506 31.860 1.00 43.00 O +ANISOU 1976 O ASP A 956 4559 7034 4744 -439 -219 -375 O +ATOM 1977 CB ASP A 956 26.739 212.266 34.543 1.00 47.07 C +ANISOU 1977 CB ASP A 956 4889 8108 4884 -391 -344 -296 C +ATOM 1978 CG ASP A 956 25.947 211.813 35.739 1.00 49.16 C +ANISOU 1978 CG ASP A 956 5177 8487 5015 -364 -363 -286 C +ATOM 1979 OD1 ASP A 956 24.721 211.548 35.606 1.00 54.32 O +ANISOU 1979 OD1 ASP A 956 5973 8932 5731 -308 -316 -275 O +ATOM 1980 OD2 ASP A 956 26.563 211.683 36.790 1.00 62.33 O +ANISOU 1980 OD2 ASP A 956 6708 10469 6504 -399 -425 -277 O +ATOM 1981 N SER A 957 27.726 211.774 31.318 1.00 40.48 N +ANISOU 1981 N SER A 957 4122 6893 4364 -213 -256 -94 N +ATOM 1982 CA SER A 957 28.192 212.332 30.035 1.00 39.63 C +ANISOU 1982 CA SER A 957 4025 6644 4385 -249 -211 -110 C +ATOM 1983 C SER A 957 27.299 212.075 28.866 1.00 36.90 C +ANISOU 1983 C SER A 957 3840 6011 4166 -164 -149 -65 C +ATOM 1984 O SER A 957 27.515 212.627 27.806 1.00 35.82 O +ANISOU 1984 O SER A 957 3727 5752 4129 -200 -108 -80 O +ATOM 1985 CB SER A 957 29.552 211.749 29.648 1.00 39.30 C +ANISOU 1985 CB SER A 957 3843 6777 4312 -170 -227 11 C +ATOM 1986 OG SER A 957 30.463 212.284 30.543 1.00 44.27 O +ANISOU 1986 OG SER A 957 4301 7683 4834 -293 -284 -56 O +ATOM 1987 N ARG A 958 26.346 211.181 29.008 1.00 34.57 N +ANISOU 1987 N ARG A 958 3646 5626 3860 -51 -142 1 N +ATOM 1988 CA AARG A 958 25.516 210.830 27.878 0.50 34.07 C +ANISOU 1988 CA AARG A 958 3721 5324 3899 22 -89 41 C +ATOM 1989 CA BARG A 958 25.442 210.813 27.914 0.50 30.46 C +ANISOU 1989 CA BARG A 958 3269 4862 3440 23 -89 40 C +ATOM 1990 C ARG A 958 24.488 211.963 27.678 1.00 31.36 C +ANISOU 1990 C ARG A 958 3467 4810 3636 -84 -64 -80 C +ATOM 1991 O ARG A 958 24.220 212.724 28.578 1.00 30.55 O +ANISOU 1991 O ARG A 958 3347 4753 3506 -185 -78 -190 O +ATOM 1992 CB AARG A 958 24.907 209.448 28.126 0.50 35.84 C +ANISOU 1992 CB AARG A 958 4012 5516 4085 162 -83 150 C +ATOM 1993 CB BARG A 958 24.628 209.561 28.271 0.50 26.99 C +ANISOU 1993 CB BARG A 958 2909 4380 2964 145 -84 130 C +ATOM 1994 CG AARG A 958 25.935 208.554 28.817 0.50 38.82 C +ANISOU 1994 CG AARG A 958 4277 6104 4368 257 -112 267 C +ATOM 1995 CG BARG A 958 25.491 208.322 28.272 0.50 25.07 C +ANISOU 1995 CG BARG A 958 2610 4236 2677 288 -82 277 C +ATOM 1996 CD AARG A 958 25.941 207.104 28.394 0.50 40.89 C +ANISOU 1996 CD AARG A 958 4593 6291 4649 431 -68 414 C +ATOM 1997 CD BARG A 958 24.857 207.085 28.848 0.50 22.20 C +ANISOU 1997 CD BARG A 958 2311 3848 2275 399 -69 378 C +ATOM 1998 NE AARG A 958 24.940 206.348 29.098 0.50 40.07 N +ANISOU 1998 NE AARG A 958 4575 6134 4515 478 -60 459 N +ATOM 1999 NE BARG A 958 25.904 206.127 29.270 0.50 21.81 N +ANISOU 1999 NE BARG A 958 2164 3957 2164 529 -74 526 N +ATOM 2000 CZ AARG A 958 25.175 205.454 30.061 0.50 41.37 C +ANISOU 2000 CZ AARG A 958 4695 6424 4597 573 -71 583 C +ATOM 2001 CZ BARG A 958 25.732 205.226 30.238 0.50 22.74 C +ANISOU 2001 CZ BARG A 958 2277 4152 2209 617 -80 639 C +ATOM 2002 NH1AARG A 958 26.403 205.144 30.466 0.50 43.09 N +ANISOU 2002 NH1AARG A 958 4773 6850 4748 649 -98 686 N +ATOM 2003 NH1BARG A 958 26.713 204.381 30.589 0.50 23.17 N +ANISOU 2003 NH1BARG A 958 2234 4353 2215 755 -79 797 N +ATOM 2004 NH2AARG A 958 24.141 204.859 30.620 0.50 39.77 N +ANISOU 2004 NH2AARG A 958 4585 6147 4379 594 -52 617 N +ATOM 2005 NH2BARG A 958 24.566 205.190 30.863 0.50 21.83 N +ANISOU 2005 NH2BARG A 958 2247 3974 2070 571 -80 605 N +ATOM 2006 N PRO A 959 23.967 212.102 26.471 1.00 30.94 N +ANISOU 2006 N PRO A 959 3503 4572 3679 -59 -20 -61 N +ATOM 2007 CA PRO A 959 22.959 213.135 26.304 1.00 31.47 C +ANISOU 2007 CA PRO A 959 3645 4485 3825 -132 7 -149 C +ATOM 2008 C PRO A 959 21.739 212.879 27.203 1.00 31.99 C +ANISOU 2008 C PRO A 959 3770 4529 3855 -117 -1 -187 C +ATOM 2009 O PRO A 959 21.466 211.745 27.598 1.00 28.87 O +ANISOU 2009 O PRO A 959 3390 4184 3393 -35 -19 -118 O +ATOM 2010 CB PRO A 959 22.565 213.002 24.829 1.00 32.18 C +ANISOU 2010 CB PRO A 959 3810 4424 3991 -73 45 -80 C +ATOM 2011 CG PRO A 959 23.633 212.186 24.195 1.00 31.91 C +ANISOU 2011 CG PRO A 959 3728 4469 3927 -5 46 7 C +ATOM 2012 CD PRO A 959 24.122 211.281 25.268 1.00 31.62 C +ANISOU 2012 CD PRO A 959 3629 4587 3796 45 8 39 C +ATOM 2013 N LYS A 960 21.003 213.935 27.475 1.00 30.12 N +ANISOU 2013 N LYS A 960 3566 4202 3673 -192 23 -289 N +ATOM 2014 CA LYS A 960 19.694 213.856 28.094 1.00 30.02 C +ANISOU 2014 CA LYS A 960 3613 4141 3649 -175 32 -329 C +ATOM 2015 C LYS A 960 18.597 213.745 27.039 1.00 29.06 C +ANISOU 2015 C LYS A 960 3576 3857 3608 -110 61 -273 C +ATOM 2016 O LYS A 960 18.723 214.244 25.932 1.00 26.13 O +ANISOU 2016 O LYS A 960 3223 3388 3317 -107 85 -242 O +ATOM 2017 CB LYS A 960 19.439 215.099 28.951 1.00 33.87 C +ANISOU 2017 CB LYS A 960 4089 4617 4160 -281 58 -481 C +ATOM 2018 CG LYS A 960 20.463 215.359 30.071 1.00 38.51 C +ANISOU 2018 CG LYS A 960 4582 5397 4650 -380 27 -571 C +ATOM 2019 CD LYS A 960 20.485 214.283 31.176 1.00 44.63 C +ANISOU 2019 CD LYS A 960 5315 6373 5268 -337 -24 -529 C +ATOM 2020 CE LYS A 960 19.184 214.186 32.037 1.00 52.31 C +ANISOU 2020 CE LYS A 960 6339 7334 6199 -324 -5 -581 C +ATOM 2021 NZ LYS A 960 18.890 212.859 32.754 1.00 50.97 N +ANISOU 2021 NZ LYS A 960 6163 7298 5904 -242 -39 -472 N +ATOM 2022 N PHE A 961 17.498 213.086 27.374 1.00 26.61 N +ANISOU 2022 N PHE A 961 3308 3533 3266 -62 59 -256 N +ATOM 2023 CA PHE A 961 16.424 212.929 26.415 1.00 27.19 C +ANISOU 2023 CA PHE A 961 3441 3491 3397 -12 78 -208 C +ATOM 2024 C PHE A 961 15.951 214.266 25.852 1.00 29.44 C +ANISOU 2024 C PHE A 961 3739 3656 3790 -36 117 -246 C +ATOM 2025 O PHE A 961 15.649 214.385 24.656 1.00 27.32 O +ANISOU 2025 O PHE A 961 3494 3312 3573 0 128 -179 O +ATOM 2026 CB PHE A 961 15.254 212.154 27.036 1.00 27.79 C +ANISOU 2026 CB PHE A 961 3547 3586 3426 15 77 -203 C +ATOM 2027 CG PHE A 961 15.523 210.664 27.162 1.00 24.21 C +ANISOU 2027 CG PHE A 961 3107 3191 2897 61 58 -122 C +ATOM 2028 CD1 PHE A 961 15.745 209.900 26.039 1.00 25.84 C +ANISOU 2028 CD1 PHE A 961 3348 3350 3120 104 62 -51 C +ATOM 2029 CD2 PHE A 961 15.555 210.042 28.410 1.00 26.44 C +ANISOU 2029 CD2 PHE A 961 3374 3577 3095 61 48 -116 C +ATOM 2030 CE1 PHE A 961 16.016 208.542 26.134 1.00 25.74 C +ANISOU 2030 CE1 PHE A 961 3359 3357 3061 152 66 16 C +ATOM 2031 CE2 PHE A 961 15.805 208.687 28.522 1.00 27.17 C +ANISOU 2031 CE2 PHE A 961 3486 3698 3137 115 47 -22 C +ATOM 2032 CZ PHE A 961 16.058 207.930 27.390 1.00 27.82 C +ANISOU 2032 CZ PHE A 961 3610 3702 3257 163 61 41 C +ATOM 2033 N ARG A 962 15.965 215.291 26.674 1.00 25.89 N +ANISOU 2033 N ARG A 962 3272 3191 3373 -96 145 -349 N +ATOM 2034 CA ARG A 962 15.503 216.593 26.221 1.00 29.88 C +ANISOU 2034 CA ARG A 962 3796 3552 4001 -107 202 -380 C +ATOM 2035 C ARG A 962 16.466 217.180 25.181 1.00 30.57 C +ANISOU 2035 C ARG A 962 3878 3578 4158 -132 219 -329 C +ATOM 2036 O ARG A 962 16.029 217.850 24.278 1.00 29.88 O +ANISOU 2036 O ARG A 962 3814 3373 4163 -99 257 -271 O +ATOM 2037 CB ARG A 962 15.268 217.536 27.392 1.00 34.21 C +ANISOU 2037 CB ARG A 962 4339 4079 4577 -171 248 -526 C +ATOM 2038 CG ARG A 962 16.486 217.871 28.238 1.00 40.04 C +ANISOU 2038 CG ARG A 962 5034 4909 5270 -282 240 -633 C +ATOM 2039 CD ARG A 962 16.202 218.958 29.291 1.00 47.14 C +ANISOU 2039 CD ARG A 962 5937 5768 6206 -363 304 -808 C +ATOM 2040 NE ARG A 962 15.722 220.187 28.612 1.00 56.14 N +ANISOU 2040 NE ARG A 962 7124 6684 7520 -351 393 -820 N +ATOM 2041 CZ ARG A 962 16.470 221.029 27.875 1.00 58.44 C +ANISOU 2041 CZ ARG A 962 7424 6857 7922 -403 435 -806 C +ATOM 2042 NH1 ARG A 962 17.784 220.846 27.733 1.00 57.52 N +ANISOU 2042 NH1 ARG A 962 7261 6835 7758 -485 395 -801 N +ATOM 2043 NH2 ARG A 962 15.897 222.091 27.290 1.00 60.99 N +ANISOU 2043 NH2 ARG A 962 7796 6967 8409 -369 527 -789 N +ATOM 2044 N GLU A 963 17.772 216.917 25.318 1.00 29.41 N +ANISOU 2044 N GLU A 963 3688 3525 3961 -185 192 -337 N +ATOM 2045 CA GLU A 963 18.754 217.266 24.293 1.00 29.80 C +ANISOU 2045 CA GLU A 963 3719 3545 4057 -208 206 -274 C +ATOM 2046 C GLU A 963 18.596 216.488 23.002 1.00 28.19 C +ANISOU 2046 C GLU A 963 3537 3339 3831 -121 189 -142 C +ATOM 2047 O GLU A 963 18.742 217.038 21.901 1.00 27.93 O +ANISOU 2047 O GLU A 963 3515 3235 3861 -114 221 -71 O +ATOM 2048 CB GLU A 963 20.183 217.067 24.838 1.00 30.35 C +ANISOU 2048 CB GLU A 963 3714 3753 4062 -283 177 -316 C +ATOM 2049 CG GLU A 963 20.430 217.944 26.070 1.00 34.95 C +ANISOU 2049 CG GLU A 963 4265 4361 4652 -400 195 -471 C +ATOM 2050 CD GLU A 963 21.718 217.610 26.811 1.00 37.52 C +ANISOU 2050 CD GLU A 963 4493 4887 4877 -474 148 -515 C +ATOM 2051 OE1 GLU A 963 22.242 216.503 26.676 1.00 36.07 O +ANISOU 2051 OE1 GLU A 963 4268 4831 4604 -404 97 -423 O +ATOM 2052 OE2 GLU A 963 22.198 218.478 27.511 1.00 38.86 O +ANISOU 2052 OE2 GLU A 963 4622 5083 5058 -602 168 -644 O +ATOM 2053 N LEU A 964 18.304 215.207 23.130 1.00 28.62 N +ANISOU 2053 N LEU A 964 3602 3476 3796 -60 146 -112 N +ATOM 2054 CA LEU A 964 18.081 214.351 21.989 1.00 27.76 C +ANISOU 2054 CA LEU A 964 3521 3371 3655 8 136 -19 C +ATOM 2055 C LEU A 964 16.875 214.812 21.159 1.00 30.11 C +ANISOU 2055 C LEU A 964 3855 3584 4001 43 154 25 C +ATOM 2056 O LEU A 964 16.929 214.781 19.909 1.00 28.24 O +ANISOU 2056 O LEU A 964 3627 3341 3762 71 162 104 O +ATOM 2057 CB LEU A 964 17.963 212.882 22.425 1.00 26.62 C +ANISOU 2057 CB LEU A 964 3390 3303 3420 54 104 -10 C +ATOM 2058 CG LEU A 964 19.254 212.323 23.038 1.00 29.38 C +ANISOU 2058 CG LEU A 964 3689 3756 3716 51 88 -11 C +ATOM 2059 CD1 LEU A 964 18.927 211.087 23.849 1.00 30.02 C +ANISOU 2059 CD1 LEU A 964 3787 3890 3726 98 68 0 C +ATOM 2060 CD2 LEU A 964 20.311 212.023 21.985 1.00 28.62 C +ANISOU 2060 CD2 LEU A 964 3571 3687 3616 78 103 49 C +ATOM 2061 N ILE A 965 15.827 215.292 21.831 1.00 26.62 N +ANISOU 2061 N ILE A 965 3424 3093 3595 46 164 -18 N +ATOM 2062 CA ILE A 965 14.692 215.884 21.148 1.00 26.08 C +ANISOU 2062 CA ILE A 965 3369 2958 3582 91 184 34 C +ATOM 2063 C ILE A 965 15.163 217.075 20.299 1.00 28.52 C +ANISOU 2063 C ILE A 965 3673 3180 3982 85 231 97 C +ATOM 2064 O ILE A 965 14.773 217.200 19.128 1.00 26.05 O +ANISOU 2064 O ILE A 965 3360 2865 3671 132 234 203 O +ATOM 2065 CB ILE A 965 13.585 216.379 22.127 1.00 27.08 C +ANISOU 2065 CB ILE A 965 3495 3042 3752 102 205 -31 C +ATOM 2066 CG1 ILE A 965 13.012 215.197 22.898 1.00 25.74 C +ANISOU 2066 CG1 ILE A 965 3328 2961 3490 105 167 -71 C +ATOM 2067 CG2 ILE A 965 12.493 217.139 21.382 1.00 27.77 C +ANISOU 2067 CG2 ILE A 965 3576 3062 3911 167 235 44 C +ATOM 2068 CD1 ILE A 965 12.223 215.613 24.127 1.00 27.52 C +ANISOU 2068 CD1 ILE A 965 3546 3175 3736 98 193 -159 C +ATOM 2069 N ILE A 966 15.989 217.943 20.882 1.00 27.59 N +ANISOU 2069 N ILE A 966 3548 3001 3934 18 269 34 N +ATOM 2070 CA ILE A 966 16.464 219.166 20.196 1.00 28.24 C +ANISOU 2070 CA ILE A 966 3632 2969 4125 -5 333 90 C +ATOM 2071 C ILE A 966 17.321 218.764 19.007 1.00 29.50 C +ANISOU 2071 C ILE A 966 3777 3195 4234 -3 319 191 C +ATOM 2072 O ILE A 966 17.091 219.212 17.873 1.00 30.05 O +ANISOU 2072 O ILE A 966 3853 3230 4334 37 346 314 O +ATOM 2073 CB ILE A 966 17.212 220.088 21.152 1.00 31.77 C +ANISOU 2073 CB ILE A 966 4074 3342 4653 -108 382 -27 C +ATOM 2074 CG1 ILE A 966 16.204 220.679 22.149 1.00 32.17 C +ANISOU 2074 CG1 ILE A 966 4149 3306 4768 -97 420 -125 C +ATOM 2075 CG2 ILE A 966 17.915 221.221 20.402 1.00 35.99 C +ANISOU 2075 CG2 ILE A 966 4613 3758 5302 -157 456 33 C +ATOM 2076 CD1 ILE A 966 16.869 221.308 23.370 1.00 35.97 C +ANISOU 2076 CD1 ILE A 966 4622 3761 5283 -218 456 -296 C +ATOM 2077 N GLU A 967 18.253 217.844 19.238 1.00 28.06 N +ANISOU 2077 N GLU A 967 3570 3127 3964 -34 279 152 N +ATOM 2078 CA GLU A 967 19.223 217.507 18.194 1.00 30.66 C +ANISOU 2078 CA GLU A 967 3877 3522 4249 -36 282 229 C +ATOM 2079 C GLU A 967 18.556 216.808 17.018 1.00 29.13 C +ANISOU 2079 C GLU A 967 3705 3381 3981 41 262 322 C +ATOM 2080 O GLU A 967 18.830 217.146 15.843 1.00 29.90 O +ANISOU 2080 O GLU A 967 3797 3488 4076 52 290 422 O +ATOM 2081 CB GLU A 967 20.397 216.691 18.781 1.00 36.17 C +ANISOU 2081 CB GLU A 967 4530 4334 4877 -71 253 168 C +ATOM 2082 CG GLU A 967 21.218 217.435 19.843 1.00 45.10 C +ANISOU 2082 CG GLU A 967 5616 5459 6058 -172 267 74 C +ATOM 2083 CD GLU A 967 21.762 218.799 19.360 1.00 53.56 C +ANISOU 2083 CD GLU A 967 6676 6430 7241 -254 337 98 C +ATOM 2084 OE1 GLU A 967 21.560 219.834 20.050 1.00 58.76 O +ANISOU 2084 OE1 GLU A 967 7348 6980 7994 -326 377 19 O +ATOM 2085 OE2 GLU A 967 22.357 218.854 18.261 1.00 57.11 O +ANISOU 2085 OE2 GLU A 967 7109 6898 7689 -249 363 194 O +ATOM 2086 N PHE A 968 17.649 215.853 17.297 1.00 27.70 N +ANISOU 2086 N PHE A 968 3546 3244 3733 86 218 289 N +ATOM 2087 CA PHE A 968 17.002 215.136 16.200 1.00 28.56 C +ANISOU 2087 CA PHE A 968 3670 3421 3759 135 198 350 C +ATOM 2088 C PHE A 968 15.971 216.034 15.501 1.00 28.60 C +ANISOU 2088 C PHE A 968 3671 3391 3803 172 210 443 C +ATOM 2089 O PHE A 968 15.756 215.897 14.278 1.00 28.14 O +ANISOU 2089 O PHE A 968 3605 3408 3679 200 206 530 O +ATOM 2090 CB PHE A 968 16.428 213.790 16.675 1.00 27.10 C +ANISOU 2090 CB PHE A 968 3509 3289 3497 151 158 282 C +ATOM 2091 CG PHE A 968 17.440 212.691 16.767 1.00 27.83 C +ANISOU 2091 CG PHE A 968 3608 3434 3531 150 158 244 C +ATOM 2092 CD1 PHE A 968 17.960 212.129 15.612 1.00 31.33 C +ANISOU 2092 CD1 PHE A 968 4057 3936 3910 166 176 277 C +ATOM 2093 CD2 PHE A 968 17.882 212.193 17.987 1.00 27.57 C +ANISOU 2093 CD2 PHE A 968 3571 3403 3501 143 147 183 C +ATOM 2094 CE1 PHE A 968 18.918 211.117 15.674 1.00 29.81 C +ANISOU 2094 CE1 PHE A 968 3868 3779 3677 185 193 246 C +ATOM 2095 CE2 PHE A 968 18.818 211.190 18.051 1.00 26.19 C +ANISOU 2095 CE2 PHE A 968 3393 3275 3281 167 155 174 C +ATOM 2096 CZ PHE A 968 19.319 210.624 16.905 1.00 27.50 C +ANISOU 2096 CZ PHE A 968 3569 3476 3401 193 182 203 C +ATOM 2097 N SER A 969 15.347 216.966 16.243 1.00 28.72 N +ANISOU 2097 N SER A 969 3685 3306 3919 180 231 431 N +ATOM 2098 CA SER A 969 14.445 217.937 15.632 1.00 30.87 C +ANISOU 2098 CA SER A 969 3946 3531 4253 237 257 541 C +ATOM 2099 C SER A 969 15.149 218.777 14.613 1.00 30.81 C +ANISOU 2099 C SER A 969 3931 3490 4283 237 306 665 C +ATOM 2100 O SER A 969 14.584 219.091 13.572 1.00 30.71 O +ANISOU 2100 O SER A 969 3900 3523 4246 296 309 801 O +ATOM 2101 CB SER A 969 13.805 218.907 16.668 1.00 31.98 C +ANISOU 2101 CB SER A 969 4093 3535 4523 253 299 497 C +ATOM 2102 OG SER A 969 12.993 218.078 17.448 1.00 40.66 O +ANISOU 2102 OG SER A 969 5189 4695 5566 261 253 408 O +ATOM 2103 N LYS A 970 16.349 219.227 14.959 1.00 31.47 N +ANISOU 2103 N LYS A 970 4023 3503 4431 167 348 625 N +ATOM 2104 CA LYS A 970 17.161 219.999 14.041 1.00 33.72 C +ANISOU 2104 CA LYS A 970 4300 3755 4756 146 405 739 C +ATOM 2105 C LYS A 970 17.522 219.216 12.785 1.00 31.34 C +ANISOU 2105 C LYS A 970 3979 3614 4313 164 378 818 C +ATOM 2106 O LYS A 970 17.416 219.752 11.670 1.00 31.13 O +ANISOU 2106 O LYS A 970 3942 3612 4275 198 407 971 O +ATOM 2107 CB LYS A 970 18.396 220.578 14.731 1.00 38.15 C +ANISOU 2107 CB LYS A 970 4859 4227 5409 43 454 660 C +ATOM 2108 CG LYS A 970 17.960 221.526 15.861 1.00 45.58 C +ANISOU 2108 CG LYS A 970 5824 4999 6492 17 500 575 C +ATOM 2109 CD LYS A 970 18.991 222.557 16.311 1.00 50.39 C +ANISOU 2109 CD LYS A 970 6435 5480 7227 -98 578 521 C +ATOM 2110 CE LYS A 970 20.119 221.968 17.144 1.00 51.35 C +ANISOU 2110 CE LYS A 970 6519 5703 7289 -203 540 375 C +ATOM 2111 NZ LYS A 970 20.694 223.045 18.010 1.00 51.49 N +ANISOU 2111 NZ LYS A 970 6538 5590 7435 -329 610 261 N +ATOM 2112 N MET A 971 17.878 217.962 12.949 1.00 27.93 N +ANISOU 2112 N MET A 971 3547 3292 3773 148 329 721 N +ATOM 2113 CA MET A 971 18.240 217.128 11.815 1.00 28.64 C +ANISOU 2113 CA MET A 971 3626 3527 3726 161 317 761 C +ATOM 2114 C MET A 971 17.029 216.845 10.938 1.00 31.09 C +ANISOU 2114 C MET A 971 3934 3936 3941 218 280 831 C +ATOM 2115 O MET A 971 17.151 216.808 9.692 1.00 32.36 O +ANISOU 2115 O MET A 971 4076 4210 4006 231 291 926 O +ATOM 2116 CB MET A 971 18.890 215.859 12.265 1.00 28.70 C +ANISOU 2116 CB MET A 971 3640 3599 3664 142 291 637 C +ATOM 2117 CG MET A 971 20.242 216.097 12.932 1.00 30.71 C +ANISOU 2117 CG MET A 971 3868 3817 3982 88 322 590 C +ATOM 2118 SD MET A 971 20.928 214.542 13.469 1.00 33.94 S +ANISOU 2118 SD MET A 971 4274 4310 4310 103 296 478 S +ATOM 2119 CE MET A 971 22.538 215.072 14.003 1.00 39.87 C +ANISOU 2119 CE MET A 971 4956 5068 5123 42 330 464 C +ATOM 2120 N ALA A 972 15.855 216.722 11.542 1.00 30.66 N +ANISOU 2120 N ALA A 972 3884 3859 3904 247 241 793 N +ATOM 2121 CA ALA A 972 14.634 216.477 10.751 1.00 33.41 C +ANISOU 2121 CA ALA A 972 4208 4330 4157 292 199 858 C +ATOM 2122 C ALA A 972 14.243 217.599 9.846 1.00 36.92 C +ANISOU 2122 C ALA A 972 4614 4791 4621 349 225 1046 C +ATOM 2123 O ALA A 972 13.423 217.389 8.955 1.00 38.89 O +ANISOU 2123 O ALA A 972 4823 5195 4756 384 187 1123 O +ATOM 2124 CB ALA A 972 13.457 216.129 11.644 1.00 34.79 C +ANISOU 2124 CB ALA A 972 4379 4486 4351 307 157 781 C +ATOM 2125 N ARG A 973 14.740 218.810 10.102 1.00 35.92 N +ANISOU 2125 N ARG A 973 4497 4509 4641 357 291 1123 N +ATOM 2126 CA ARG A 973 14.496 219.920 9.229 1.00 40.46 C +ANISOU 2126 CA ARG A 973 5044 5072 5254 419 336 1329 C +ATOM 2127 C ARG A 973 15.357 219.906 7.968 1.00 36.79 C +ANISOU 2127 C ARG A 973 4566 4724 4686 397 361 1437 C +ATOM 2128 O ARG A 973 15.043 220.632 7.033 1.00 34.75 O +ANISOU 2128 O ARG A 973 4276 4517 4410 456 386 1634 O +ATOM 2129 CB ARG A 973 14.623 221.247 9.996 1.00 47.26 C +ANISOU 2129 CB ARG A 973 5933 5690 6332 432 417 1366 C +ATOM 2130 CG ARG A 973 13.531 221.332 11.088 1.00 54.71 C +ANISOU 2130 CG ARG A 973 6878 6550 7358 476 400 1280 C +ATOM 2131 CD ARG A 973 13.301 222.726 11.660 1.00 62.30 C +ANISOU 2131 CD ARG A 973 7863 7278 8530 520 494 1335 C +ATOM 2132 NE ARG A 973 14.546 223.317 12.153 1.00 70.57 N +ANISOU 2132 NE ARG A 973 8958 8158 9696 420 568 1265 N +ATOM 2133 CZ ARG A 973 15.050 223.175 13.390 1.00 76.24 C +ANISOU 2133 CZ ARG A 973 9707 8788 10472 331 574 1066 C +ATOM 2134 NH1 ARG A 973 16.219 223.772 13.676 1.00 74.58 N +ANISOU 2134 NH1 ARG A 973 9521 8458 10355 227 640 1018 N +ATOM 2135 NH2 ARG A 973 14.418 222.452 14.343 1.00 76.37 N +ANISOU 2135 NH2 ARG A 973 9721 8851 10444 335 514 919 N +ATOM 2136 N ASP A 974 16.415 219.093 7.928 1.00 31.97 N +ANISOU 2136 N ASP A 974 3973 4167 4005 324 359 1324 N +ATOM 2137 CA ASP A 974 17.289 218.976 6.718 1.00 32.32 C +ANISOU 2137 CA ASP A 974 3999 4345 3935 301 391 1408 C +ATOM 2138 C ASP A 974 17.726 217.494 6.645 1.00 30.52 C +ANISOU 2138 C ASP A 974 3783 4245 3566 259 354 1237 C +ATOM 2139 O ASP A 974 18.912 217.152 6.809 1.00 28.98 O +ANISOU 2139 O ASP A 974 3596 4033 3380 212 389 1163 O +ATOM 2140 CB ASP A 974 18.499 219.951 6.776 1.00 33.82 C +ANISOU 2140 CB ASP A 974 4196 4401 4254 253 482 1478 C +ATOM 2141 CG ASP A 974 19.297 220.012 5.471 1.00 36.41 C +ANISOU 2141 CG ASP A 974 4495 4870 4469 237 528 1601 C +ATOM 2142 OD1 ASP A 974 18.880 219.354 4.494 1.00 40.50 O +ANISOU 2142 OD1 ASP A 974 4991 5595 4802 267 490 1633 O +ATOM 2143 OD2 ASP A 974 20.363 220.701 5.398 1.00 37.74 O +ANISOU 2143 OD2 ASP A 974 4657 4958 4722 182 607 1659 O +ATOM 2144 N PRO A 975 16.745 216.605 6.461 1.00 29.13 N +ANISOU 2144 N PRO A 975 3605 4190 3272 275 288 1170 N +ATOM 2145 CA PRO A 975 16.971 215.220 6.688 1.00 28.63 C +ANISOU 2145 CA PRO A 975 3571 4180 3125 237 264 989 C +ATOM 2146 C PRO A 975 18.064 214.596 5.823 1.00 28.50 C +ANISOU 2146 C PRO A 975 3558 4273 2996 210 309 957 C +ATOM 2147 O PRO A 975 18.801 213.770 6.341 1.00 29.39 O +ANISOU 2147 O PRO A 975 3698 4341 3124 191 327 826 O +ATOM 2148 CB PRO A 975 15.604 214.574 6.456 1.00 30.28 C +ANISOU 2148 CB PRO A 975 3770 4507 3228 244 197 948 C +ATOM 2149 CG PRO A 975 14.794 215.543 5.697 1.00 32.87 C +ANISOU 2149 CG PRO A 975 4040 4925 3524 294 180 1134 C +ATOM 2150 CD PRO A 975 15.349 216.898 6.044 1.00 33.33 C +ANISOU 2150 CD PRO A 975 4098 4813 3751 328 239 1269 C +ATOM 2151 N GLN A 976 18.196 215.010 4.562 1.00 28.47 N +ANISOU 2151 N GLN A 976 3519 4413 2883 216 334 1086 N +ATOM 2152 CA GLN A 976 19.152 214.417 3.669 1.00 31.21 C +ANISOU 2152 CA GLN A 976 3865 4888 3106 193 385 1051 C +ATOM 2153 C GLN A 976 20.575 214.951 3.923 1.00 33.83 C +ANISOU 2153 C GLN A 976 4183 5125 3544 179 458 1089 C +ATOM 2154 O GLN A 976 21.524 214.429 3.359 1.00 33.19 O +ANISOU 2154 O GLN A 976 4092 5132 3383 166 511 1047 O +ATOM 2155 CB GLN A 976 18.730 214.622 2.201 1.00 32.72 C +ANISOU 2155 CB GLN A 976 4015 5306 3110 198 383 1172 C +ATOM 2156 CG GLN A 976 17.369 213.983 1.895 1.00 33.87 C +ANISOU 2156 CG GLN A 976 4153 5592 3124 191 306 1112 C +ATOM 2157 CD GLN A 976 17.123 213.737 0.395 1.00 36.56 C +ANISOU 2157 CD GLN A 976 4452 6220 3219 171 303 1158 C +ATOM 2158 OE1 GLN A 976 18.007 213.384 -0.364 1.00 38.69 O +ANISOU 2158 OE1 GLN A 976 4726 6592 3382 148 364 1126 O +ATOM 2159 NE2 GLN A 976 15.903 213.917 -0.018 1.00 38.28 N +ANISOU 2159 NE2 GLN A 976 4618 6586 3338 181 232 1231 N +ATOM 2160 N ARG A 977 20.713 215.977 4.770 1.00 32.51 N +ANISOU 2160 N ARG A 977 4011 4786 3555 175 467 1157 N +ATOM 2161 CA ARG A 977 22.031 216.355 5.265 1.00 32.93 C +ANISOU 2161 CA ARG A 977 4046 4748 3719 137 526 1148 C +ATOM 2162 C ARG A 977 22.545 215.344 6.287 1.00 30.35 C +ANISOU 2162 C ARG A 977 3733 4372 3426 131 508 967 C +ATOM 2163 O ARG A 977 23.757 215.238 6.487 1.00 30.10 O +ANISOU 2163 O ARG A 977 3667 4343 3426 108 553 936 O +ATOM 2164 CB ARG A 977 22.030 217.741 5.893 1.00 34.43 C +ANISOU 2164 CB ARG A 977 4229 4763 4088 113 549 1248 C +ATOM 2165 CG ARG A 977 23.401 218.169 6.431 1.00 36.72 C +ANISOU 2165 CG ARG A 977 4487 4976 4489 43 609 1223 C +ATOM 2166 CD ARG A 977 23.328 219.532 7.110 1.00 38.34 C +ANISOU 2166 CD ARG A 977 4698 4986 4880 -1 642 1288 C +ATOM 2167 NE ARG A 977 24.643 219.987 7.549 1.00 38.92 N +ANISOU 2167 NE ARG A 977 4729 5009 5048 -95 700 1258 N +ATOM 2168 CZ ARG A 977 24.856 221.163 8.139 1.00 40.55 C +ANISOU 2168 CZ ARG A 977 4939 5045 5423 -170 750 1284 C +ATOM 2169 NH1 ARG A 977 23.824 221.987 8.414 1.00 37.14 N +ANISOU 2169 NH1 ARG A 977 4559 4455 5097 -141 755 1340 N +ATOM 2170 NH2 ARG A 977 26.087 221.486 8.498 1.00 40.05 N +ANISOU 2170 NH2 ARG A 977 4821 4969 5426 -275 798 1241 N +ATOM 2171 N TYR A 978 21.647 214.620 6.941 1.00 26.69 N +ANISOU 2171 N TYR A 978 3311 3873 2957 154 447 861 N +ATOM 2172 CA TYR A 978 22.037 213.765 8.066 1.00 26.86 C +ANISOU 2172 CA TYR A 978 3348 3828 3029 158 431 720 C +ATOM 2173 C TYR A 978 21.962 212.252 7.824 1.00 26.75 C +ANISOU 2173 C TYR A 978 3371 3884 2908 188 430 598 C +ATOM 2174 O TYR A 978 22.698 211.500 8.469 1.00 26.80 O +ANISOU 2174 O TYR A 978 3378 3860 2945 208 448 515 O +ATOM 2175 CB TYR A 978 21.234 214.184 9.312 1.00 26.52 C +ANISOU 2175 CB TYR A 978 3325 3651 3100 152 379 691 C +ATOM 2176 CG TYR A 978 21.580 215.583 9.692 1.00 26.23 C +ANISOU 2176 CG TYR A 978 3258 3514 3191 113 405 772 C +ATOM 2177 CD1 TYR A 978 22.832 215.867 10.260 1.00 28.16 C +ANISOU 2177 CD1 TYR A 978 3461 3729 3507 66 439 745 C +ATOM 2178 CD2 TYR A 978 20.749 216.624 9.417 1.00 27.45 C +ANISOU 2178 CD2 TYR A 978 3420 3612 3396 121 406 880 C +ATOM 2179 CE1 TYR A 978 23.187 217.176 10.573 1.00 29.21 C +ANISOU 2179 CE1 TYR A 978 3572 3762 3764 4 476 802 C +ATOM 2180 CE2 TYR A 978 21.101 217.946 9.736 1.00 29.15 C +ANISOU 2180 CE2 TYR A 978 3622 3701 3750 80 454 951 C +ATOM 2181 CZ TYR A 978 22.321 218.186 10.352 1.00 30.53 C +ANISOU 2181 CZ TYR A 978 3766 3834 3998 10 488 895 C +ATOM 2182 OH TYR A 978 22.717 219.463 10.667 1.00 30.74 O +ANISOU 2182 OH TYR A 978 3782 3731 4165 -56 545 941 O +ATOM 2183 N LEU A 979 21.124 211.838 6.862 1.00 27.46 N +ANISOU 2183 N LEU A 979 3486 4072 2873 189 418 592 N +ATOM 2184 CA LEU A 979 21.029 210.443 6.443 1.00 27.75 C +ANISOU 2184 CA LEU A 979 3568 4172 2804 197 437 462 C +ATOM 2185 C LEU A 979 21.028 210.386 4.943 1.00 28.62 C +ANISOU 2185 C LEU A 979 3666 4454 2753 182 471 490 C +ATOM 2186 O LEU A 979 20.301 211.136 4.296 1.00 29.40 O +ANISOU 2186 O LEU A 979 3739 4640 2791 165 436 595 O +ATOM 2187 CB LEU A 979 19.751 209.828 7.027 1.00 29.10 C +ANISOU 2187 CB LEU A 979 3787 4291 2977 183 378 378 C +ATOM 2188 CG LEU A 979 19.533 209.777 8.552 1.00 27.92 C +ANISOU 2188 CG LEU A 979 3655 3991 2962 194 342 343 C +ATOM 2189 CD1 LEU A 979 18.151 209.220 8.876 1.00 29.43 C +ANISOU 2189 CD1 LEU A 979 3884 4167 3130 168 292 276 C +ATOM 2190 CD2 LEU A 979 20.584 208.917 9.207 1.00 27.91 C +ANISOU 2190 CD2 LEU A 979 3670 3926 3008 231 388 271 C +ATOM 2191 N VAL A 980 21.873 209.532 4.375 1.00 28.93 N +ANISOU 2191 N VAL A 980 3717 4554 2719 196 544 406 N +ATOM 2192 CA VAL A 980 22.059 209.422 2.950 1.00 30.32 C +ANISOU 2192 CA VAL A 980 3879 4912 2727 179 592 414 C +ATOM 2193 C VAL A 980 21.494 208.047 2.517 1.00 32.53 C +ANISOU 2193 C VAL A 980 4226 5241 2891 155 611 229 C +ATOM 2194 O VAL A 980 22.160 207.003 2.678 1.00 30.35 O +ANISOU 2194 O VAL A 980 3992 4902 2634 186 685 99 O +ATOM 2195 CB VAL A 980 23.578 209.495 2.678 1.00 31.50 C +ANISOU 2195 CB VAL A 980 3985 5089 2891 212 684 441 C +ATOM 2196 CG1 VAL A 980 23.840 209.468 1.197 1.00 34.34 C +ANISOU 2196 CG1 VAL A 980 4324 5654 3069 194 744 459 C +ATOM 2197 CG2 VAL A 980 24.146 210.752 3.331 1.00 31.24 C +ANISOU 2197 CG2 VAL A 980 3892 4977 3001 211 669 589 C +ATOM 2198 N ILE A 981 20.260 208.059 2.035 1.00 31.31 N +ANISOU 2198 N ILE A 981 4077 5187 2629 100 549 219 N +ATOM 2199 CA ILE A 981 19.453 206.845 1.871 1.00 33.97 C +ANISOU 2199 CA ILE A 981 4477 5543 2884 44 548 33 C +ATOM 2200 C ILE A 981 19.009 206.718 0.411 1.00 39.18 C +ANISOU 2200 C ILE A 981 5117 6458 3312 -21 553 -1 C +ATOM 2201 O ILE A 981 18.469 207.645 -0.158 1.00 39.69 O +ANISOU 2201 O ILE A 981 5113 6680 3289 -34 492 144 O +ATOM 2202 CB ILE A 981 18.182 206.873 2.708 1.00 35.44 C +ANISOU 2202 CB ILE A 981 4675 5653 3137 12 456 27 C +ATOM 2203 CG1 ILE A 981 18.478 207.040 4.178 1.00 32.94 C +ANISOU 2203 CG1 ILE A 981 4373 5114 3025 67 442 61 C +ATOM 2204 CG2 ILE A 981 17.370 205.566 2.526 1.00 38.26 C +ANISOU 2204 CG2 ILE A 981 5097 6026 3414 -69 466 -176 C +ATOM 2205 CD1 ILE A 981 17.220 207.141 5.009 1.00 33.71 C +ANISOU 2205 CD1 ILE A 981 4473 5149 3183 39 359 63 C +ATOM 2206 N GLN A 982 19.220 205.544 -0.158 1.00 40.67 N +ANISOU 2206 N GLN A 982 5364 6686 3401 -60 632 -198 N +ATOM 2207 CA GLN A 982 18.818 205.227 -1.524 1.00 45.16 C +ANISOU 2207 CA GLN A 982 5920 7510 3727 -144 648 -284 C +ATOM 2208 C GLN A 982 17.328 205.382 -1.668 1.00 45.40 C +ANISOU 2208 C GLN A 982 5914 7673 3662 -230 535 -278 C +ATOM 2209 O GLN A 982 16.601 204.933 -0.815 1.00 46.35 O +ANISOU 2209 O GLN A 982 6071 7654 3884 -259 495 -352 O +ATOM 2210 CB GLN A 982 19.187 203.772 -1.831 1.00 50.49 C +ANISOU 2210 CB GLN A 982 6690 8136 4358 -181 765 -547 C +ATOM 2211 CG GLN A 982 18.915 203.332 -3.269 1.00 56.35 C +ANISOU 2211 CG GLN A 982 7427 9150 4834 -282 803 -685 C +ATOM 2212 CD GLN A 982 19.208 201.859 -3.432 1.00 59.86 C +ANISOU 2212 CD GLN A 982 7983 9489 5270 -323 934 -971 C +ATOM 2213 OE1 GLN A 982 18.604 201.010 -2.766 1.00 68.51 O +ANISOU 2213 OE1 GLN A 982 9157 10410 6463 -373 939 -1114 O +ATOM 2214 NE2 GLN A 982 20.149 201.550 -4.274 1.00 62.28 N +ANISOU 2214 NE2 GLN A 982 8302 9883 5478 -298 1054 -1051 N +ATOM 2215 N GLY A 983 16.892 206.073 -2.717 1.00 48.55 N +ANISOU 2215 N GLY A 983 6228 8351 3867 -262 484 -166 N +ATOM 2216 CA GLY A 983 15.476 206.229 -3.018 1.00 52.99 C +ANISOU 2216 CA GLY A 983 6727 9104 4302 -339 374 -147 C +ATOM 2217 C GLY A 983 14.697 207.079 -2.033 1.00 55.97 C +ANISOU 2217 C GLY A 983 7056 9368 4839 -285 274 24 C +ATOM 2218 O GLY A 983 13.480 206.930 -1.926 1.00 64.99 O +ANISOU 2218 O GLY A 983 8159 10600 5932 -348 192 -7 O +ATOM 2219 N ASP A 984 15.390 207.938 -1.277 1.00 53.69 N +ANISOU 2219 N ASP A 984 6769 8884 4744 -177 287 188 N +ATOM 2220 CA ASP A 984 14.760 208.813 -0.273 1.00 45.75 C +ANISOU 2220 CA ASP A 984 5728 7744 3910 -118 212 340 C +ATOM 2221 C ASP A 984 13.801 209.755 -0.982 1.00 45.48 C +ANISOU 2221 C ASP A 984 5582 7944 3751 -105 129 532 C +ATOM 2222 O ASP A 984 14.136 210.200 -2.101 1.00 43.19 O +ANISOU 2222 O ASP A 984 5243 7863 3303 -96 146 643 O +ATOM 2223 CB ASP A 984 15.834 209.674 0.389 1.00 42.47 C +ANISOU 2223 CB ASP A 984 5325 7125 3684 -23 257 479 C +ATOM 2224 CG ASP A 984 15.495 210.054 1.825 1.00 38.82 C +ANISOU 2224 CG ASP A 984 4879 6426 3443 18 219 511 C +ATOM 2225 OD1 ASP A 984 14.388 209.742 2.276 1.00 37.19 O +ANISOU 2225 OD1 ASP A 984 4666 6219 3244 -12 157 455 O +ATOM 2226 OD2 ASP A 984 16.363 210.637 2.502 1.00 35.63 O +ANISOU 2226 OD2 ASP A 984 4489 5850 3197 73 255 582 O +ATOM 2227 N MET A1007 -18.878 200.796 11.286 1.00 87.50 N +ANISOU 2227 N MET A1007 7691 16626 8928 -2820 -803 -781 N +ATOM 2228 CA MET A1007 -17.739 201.703 11.363 1.00 86.02 C +ANISOU 2228 CA MET A1007 7691 16150 8840 -2490 -792 -625 C +ATOM 2229 C MET A1007 -18.081 203.180 11.623 1.00 81.93 C +ANISOU 2229 C MET A1007 6995 15760 8374 -2119 -838 -340 C +ATOM 2230 O MET A1007 -17.186 203.958 11.952 1.00 78.77 O +ANISOU 2230 O MET A1007 6760 15068 8100 -1849 -802 -214 O +ATOM 2231 CB MET A1007 -16.884 201.590 10.100 1.00 88.50 C +ANISOU 2231 CB MET A1007 8113 16497 9014 -2526 -854 -690 C +ATOM 2232 CG MET A1007 -15.771 200.562 10.207 1.00 90.23 C +ANISOU 2232 CG MET A1007 8671 16301 9309 -2687 -751 -898 C +ATOM 2233 SD MET A1007 -14.217 201.160 9.508 1.00 97.74 S +ANISOU 2233 SD MET A1007 9848 17030 10259 -2456 -765 -822 S +ATOM 2234 CE MET A1007 -13.383 201.883 10.925 1.00 89.22 C +ANISOU 2234 CE MET A1007 8970 15475 9454 -2144 -665 -658 C +ATOM 2235 N ASP A1008 -19.354 203.563 11.466 1.00 83.81 N +ANISOU 2235 N ASP A1008 6895 16426 8520 -2106 -908 -242 N +ATOM 2236 CA ASP A1008 -19.843 204.916 11.834 1.00 82.70 C +ANISOU 2236 CA ASP A1008 6565 16400 8453 -1752 -925 26 C +ATOM 2237 C ASP A1008 -19.352 205.378 13.200 1.00 76.78 C +ANISOU 2237 C ASP A1008 6006 15216 7948 -1543 -797 87 C +ATOM 2238 O ASP A1008 -18.826 206.488 13.351 1.00 74.31 O +ANISOU 2238 O ASP A1008 5753 14742 7738 -1225 -781 263 O +ATOM 2239 CB ASP A1008 -21.385 204.956 11.882 1.00 84.31 C +ANISOU 2239 CB ASP A1008 6394 17069 8570 -1818 -975 79 C +ATOM 2240 CG ASP A1008 -22.011 205.459 10.595 1.00 88.61 C +ANISOU 2240 CG ASP A1008 6634 18139 8895 -1768 -1127 211 C +ATOM 2241 OD1 ASP A1008 -21.267 205.812 9.660 1.00 87.73 O +ANISOU 2241 OD1 ASP A1008 6604 18032 8695 -1675 -1191 271 O +ATOM 2242 OD2 ASP A1008 -23.263 205.508 10.532 1.00 93.62 O +ANISOU 2242 OD2 ASP A1008 6932 19201 9437 -1817 -1181 265 O +ATOM 2243 N ASP A1009 -19.565 204.509 14.186 1.00 73.25 N +ANISOU 2243 N ASP A1009 5646 14599 7587 -1738 -701 -60 N +ATOM 2244 CA ASP A1009 -19.335 204.817 15.583 1.00 69.22 C +ANISOU 2244 CA ASP A1009 5268 13756 7275 -1586 -579 -20 C +ATOM 2245 C ASP A1009 -17.971 204.381 16.056 1.00 63.13 C +ANISOU 2245 C ASP A1009 4863 12507 6613 -1605 -498 -117 C +ATOM 2246 O ASP A1009 -17.736 204.381 17.263 1.00 62.73 O +ANISOU 2246 O ASP A1009 4944 12185 6706 -1544 -393 -121 O +ATOM 2247 CB ASP A1009 -20.419 204.147 16.422 1.00 72.07 C +ANISOU 2247 CB ASP A1009 5487 14244 7653 -1779 -517 -98 C +ATOM 2248 CG ASP A1009 -21.794 204.594 16.014 1.00 77.46 C +ANISOU 2248 CG ASP A1009 5779 15422 8228 -1751 -593 5 C +ATOM 2249 OD1 ASP A1009 -21.865 205.509 15.175 1.00 82.41 O +ANISOU 2249 OD1 ASP A1009 6261 16265 8785 -1540 -687 163 O +ATOM 2250 OD2 ASP A1009 -22.800 204.048 16.500 1.00 82.35 O +ANISOU 2250 OD2 ASP A1009 6227 16231 8830 -1932 -560 -55 O +ATOM 2251 N VAL A1010 -17.064 204.026 15.138 1.00 58.70 N +ANISOU 2251 N VAL A1010 4462 11857 5982 -1680 -543 -190 N +ATOM 2252 CA VAL A1010 -15.680 203.697 15.549 1.00 57.69 C +ANISOU 2252 CA VAL A1010 4673 11283 5964 -1661 -467 -260 C +ATOM 2253 C VAL A1010 -14.950 204.954 16.038 1.00 55.31 C +ANISOU 2253 C VAL A1010 4462 10762 5791 -1319 -442 -95 C +ATOM 2254 O VAL A1010 -14.942 205.982 15.370 1.00 58.58 O +ANISOU 2254 O VAL A1010 4769 11315 6173 -1115 -508 52 O +ATOM 2255 CB VAL A1010 -14.836 203.042 14.435 1.00 57.05 C +ANISOU 2255 CB VAL A1010 4740 11154 5780 -1808 -509 -382 C +ATOM 2256 CG1 VAL A1010 -13.386 202.897 14.871 1.00 56.39 C +ANISOU 2256 CG1 VAL A1010 4975 10630 5819 -1727 -432 -413 C +ATOM 2257 CG2 VAL A1010 -15.407 201.674 14.080 1.00 61.85 C +ANISOU 2257 CG2 VAL A1010 5318 11893 6289 -2177 -501 -591 C +ATOM 2258 N VAL A1011 -14.323 204.866 17.198 1.00 49.83 N +ANISOU 2258 N VAL A1011 3964 9728 5240 -1266 -341 -119 N +ATOM 2259 CA VAL A1011 -13.595 205.990 17.732 1.00 48.44 C +ANISOU 2259 CA VAL A1011 3885 9333 5186 -980 -306 1 C +ATOM 2260 C VAL A1011 -12.238 205.443 18.143 1.00 44.93 C +ANISOU 2260 C VAL A1011 3741 8518 4813 -1020 -247 -86 C +ATOM 2261 O VAL A1011 -12.168 204.450 18.857 1.00 45.74 O +ANISOU 2261 O VAL A1011 3954 8480 4946 -1187 -178 -193 O +ATOM 2262 CB VAL A1011 -14.328 206.609 18.944 1.00 48.52 C +ANISOU 2262 CB VAL A1011 3789 9346 5297 -844 -234 71 C +ATOM 2263 CG1 VAL A1011 -13.601 207.844 19.447 1.00 48.62 C +ANISOU 2263 CG1 VAL A1011 3898 9138 5436 -557 -191 176 C +ATOM 2264 CG2 VAL A1011 -15.762 206.963 18.591 1.00 52.96 C +ANISOU 2264 CG2 VAL A1011 4034 10299 5789 -826 -283 150 C +ATOM 2265 N ASP A1012 -11.183 206.088 17.691 1.00 43.39 N +ANISOU 2265 N ASP A1012 3665 8175 4643 -866 -269 -28 N +ATOM 2266 CA ASP A1012 -9.850 205.820 18.176 1.00 41.43 C +ANISOU 2266 CA ASP A1012 3676 7588 4475 -848 -212 -79 C +ATOM 2267 C ASP A1012 -9.745 206.231 19.642 1.00 40.68 C +ANISOU 2267 C ASP A1012 3641 7307 4506 -734 -126 -52 C +ATOM 2268 O ASP A1012 -10.374 207.213 20.085 1.00 40.95 O +ANISOU 2268 O ASP A1012 3544 7425 4589 -573 -113 37 O +ATOM 2269 CB ASP A1012 -8.813 206.590 17.384 1.00 42.55 C +ANISOU 2269 CB ASP A1012 3900 7645 4620 -695 -252 -6 C +ATOM 2270 CG ASP A1012 -7.405 206.269 17.823 1.00 45.03 C +ANISOU 2270 CG ASP A1012 4462 7639 5006 -685 -199 -61 C +ATOM 2271 OD1 ASP A1012 -6.882 205.206 17.404 1.00 49.12 O +ANISOU 2271 OD1 ASP A1012 5098 8086 5476 -845 -193 -169 O +ATOM 2272 OD2 ASP A1012 -6.798 207.052 18.612 1.00 45.42 O +ANISOU 2272 OD2 ASP A1012 4588 7505 5162 -522 -156 -4 O +ATOM 2273 N ALA A1013 -8.968 205.473 20.401 1.00 38.24 N +ANISOU 2273 N ALA A1013 3525 6758 4245 -812 -61 -129 N +ATOM 2274 CA ALA A1013 -8.849 205.740 21.826 1.00 38.39 C +ANISOU 2274 CA ALA A1013 3602 6629 4354 -730 19 -115 C +ATOM 2275 C ALA A1013 -8.241 207.130 22.107 1.00 37.52 C +ANISOU 2275 C ALA A1013 3517 6414 4323 -486 25 -33 C +ATOM 2276 O ALA A1013 -8.552 207.706 23.106 1.00 38.35 O +ANISOU 2276 O ALA A1013 3587 6496 4486 -391 81 -12 O +ATOM 2277 CB ALA A1013 -8.059 204.639 22.528 1.00 36.49 C +ANISOU 2277 CB ALA A1013 3560 6166 4137 -850 82 -189 C +ATOM 2278 N ASP A1014 -7.468 207.702 21.194 1.00 38.93 N +ANISOU 2278 N ASP A1014 3742 6546 4502 -393 -24 11 N +ATOM 2279 CA ASP A1014 -7.031 209.105 21.385 1.00 40.78 C +ANISOU 2279 CA ASP A1014 3981 6687 4823 -173 -9 94 C +ATOM 2280 C ASP A1014 -8.196 210.136 21.343 1.00 41.72 C +ANISOU 2280 C ASP A1014 3895 6983 4971 -30 -6 188 C +ATOM 2281 O ASP A1014 -8.009 211.275 21.790 1.00 45.04 O +ANISOU 2281 O ASP A1014 4321 7301 5490 148 40 240 O +ATOM 2282 CB ASP A1014 -5.904 209.476 20.400 1.00 40.56 C +ANISOU 2282 CB ASP A1014 4051 6564 4793 -114 -53 132 C +ATOM 2283 CG ASP A1014 -4.568 208.786 20.742 1.00 40.41 C +ANISOU 2283 CG ASP A1014 4240 6325 4787 -184 -29 55 C +ATOM 2284 OD1 ASP A1014 -4.394 208.437 21.913 1.00 42.15 O +ANISOU 2284 OD1 ASP A1014 4533 6437 5045 -213 27 2 O +ATOM 2285 OD2 ASP A1014 -3.725 208.536 19.848 1.00 38.95 O +ANISOU 2285 OD2 ASP A1014 4137 6096 4566 -212 -65 51 O +ATOM 2286 N GLU A1015 -9.370 209.757 20.822 1.00 40.07 N +ANISOU 2286 N GLU A1015 3506 7036 4683 -107 -49 207 N +ATOM 2287 CA GLU A1015 -10.557 210.634 20.856 1.00 40.81 C +ANISOU 2287 CA GLU A1015 3380 7322 4801 33 -41 306 C +ATOM 2288 C GLU A1015 -11.628 210.141 21.851 1.00 41.05 C +ANISOU 2288 C GLU A1015 3301 7467 4826 -50 13 250 C +ATOM 2289 O GLU A1015 -12.759 210.624 21.855 1.00 44.12 O +ANISOU 2289 O GLU A1015 3480 8064 5216 32 19 319 O +ATOM 2290 CB GLU A1015 -11.143 210.812 19.452 1.00 44.03 C +ANISOU 2290 CB GLU A1015 3616 7998 5115 48 -137 406 C +ATOM 2291 CG GLU A1015 -10.320 211.776 18.567 1.00 45.33 C +ANISOU 2291 CG GLU A1015 3837 8077 5310 215 -169 522 C +ATOM 2292 CD GLU A1015 -9.049 211.148 18.024 1.00 45.41 C +ANISOU 2292 CD GLU A1015 4045 7934 5272 99 -202 449 C +ATOM 2293 OE1 GLU A1015 -7.935 211.682 18.199 1.00 44.96 O +ANISOU 2293 OE1 GLU A1015 4149 7634 5300 191 -167 461 O +ATOM 2294 OE2 GLU A1015 -9.160 210.083 17.394 1.00 48.32 O +ANISOU 2294 OE2 GLU A1015 4407 8433 5518 -94 -259 371 O +ATOM 2295 N TYR A1016 -11.261 209.172 22.690 1.00 40.45 N +ANISOU 2295 N TYR A1016 3363 7261 4743 -207 59 138 N +ATOM 2296 CA TYR A1016 -12.141 208.619 23.715 1.00 42.97 C +ANISOU 2296 CA TYR A1016 3607 7662 5055 -305 124 86 C +ATOM 2297 C TYR A1016 -11.549 208.982 25.093 1.00 44.56 C +ANISOU 2297 C TYR A1016 3946 7646 5337 -219 221 49 C +ATOM 2298 O TYR A1016 -10.676 208.272 25.647 1.00 40.49 O +ANISOU 2298 O TYR A1016 3616 6951 4817 -316 247 -15 O +ATOM 2299 CB TYR A1016 -12.308 207.098 23.607 1.00 43.48 C +ANISOU 2299 CB TYR A1016 3710 7770 5037 -580 112 -3 C +ATOM 2300 CG TYR A1016 -13.301 206.628 24.603 1.00 45.23 C +ANISOU 2300 CG TYR A1016 3832 8098 5254 -676 185 -32 C +ATOM 2301 CD1 TYR A1016 -14.650 206.777 24.359 1.00 49.42 C +ANISOU 2301 CD1 TYR A1016 4110 8922 5745 -694 169 2 C +ATOM 2302 CD2 TYR A1016 -12.900 206.088 25.827 1.00 46.34 C +ANISOU 2302 CD2 TYR A1016 4117 8066 5423 -737 272 -82 C +ATOM 2303 CE1 TYR A1016 -15.601 206.384 25.294 1.00 50.98 C +ANISOU 2303 CE1 TYR A1016 4198 9234 5937 -781 245 -19 C +ATOM 2304 CE2 TYR A1016 -13.831 205.710 26.791 1.00 46.98 C +ANISOU 2304 CE2 TYR A1016 4100 8256 5494 -819 350 -96 C +ATOM 2305 CZ TYR A1016 -15.170 205.856 26.520 1.00 50.83 C +ANISOU 2305 CZ TYR A1016 4338 9025 5947 -844 339 -70 C +ATOM 2306 OH TYR A1016 -16.102 205.465 27.440 1.00 53.71 O +ANISOU 2306 OH TYR A1016 4596 9512 6300 -934 421 -82 O +ATOM 2307 N LEU A1017 -12.015 210.096 25.650 1.00 44.95 N +ANISOU 2307 N LEU A1017 3902 7720 5457 -31 280 90 N +ATOM 2308 CA LEU A1017 -11.365 210.606 26.843 1.00 45.13 C +ANISOU 2308 CA LEU A1017 4055 7544 5546 58 368 40 C +ATOM 2309 C LEU A1017 -12.143 210.207 28.079 1.00 45.30 C +ANISOU 2309 C LEU A1017 4015 7651 5545 -5 456 -10 C +ATOM 2310 O LEU A1017 -13.342 210.313 28.135 1.00 44.23 O +ANISOU 2310 O LEU A1017 3687 7719 5399 9 480 18 O +ATOM 2311 CB LEU A1017 -11.116 212.102 26.728 1.00 45.80 C +ANISOU 2311 CB LEU A1017 4130 7535 5736 296 398 89 C +ATOM 2312 CG LEU A1017 -9.811 212.193 25.924 1.00 46.39 C +ANISOU 2312 CG LEU A1017 4367 7436 5823 300 332 104 C +ATOM 2313 CD1 LEU A1017 -10.002 213.020 24.673 1.00 50.35 C +ANISOU 2313 CD1 LEU A1017 4770 8002 6356 436 278 224 C +ATOM 2314 CD2 LEU A1017 -8.587 212.608 26.739 1.00 45.24 C +ANISOU 2314 CD2 LEU A1017 4412 7043 5732 342 384 33 C +ATOM 2315 N ILE A1018 -11.406 209.685 29.045 1.00 48.74 N +ANISOU 2315 N ILE A1018 4613 7943 5961 -84 501 -76 N +ATOM 2316 CA ILE A1018 -11.951 209.166 30.285 1.00 57.40 C +ANISOU 2316 CA ILE A1018 5686 9106 7017 -166 588 -118 C +ATOM 2317 C ILE A1018 -11.570 210.219 31.345 1.00 59.87 C +ANISOU 2317 C ILE A1018 6052 9318 7376 -7 675 -168 C +ATOM 2318 O ILE A1018 -10.365 210.539 31.487 1.00 52.57 O +ANISOU 2318 O ILE A1018 5292 8208 6475 36 663 -200 O +ATOM 2319 CB ILE A1018 -11.337 207.764 30.592 1.00 59.79 C +ANISOU 2319 CB ILE A1018 6140 9322 7254 -369 580 -141 C +ATOM 2320 CG1 ILE A1018 -11.898 206.713 29.603 1.00 64.00 C +ANISOU 2320 CG1 ILE A1018 6607 9961 7745 -550 520 -122 C +ATOM 2321 CG2 ILE A1018 -11.611 207.335 32.033 1.00 60.85 C +ANISOU 2321 CG2 ILE A1018 6290 9488 7342 -431 681 -167 C +ATOM 2322 CD1 ILE A1018 -11.070 205.442 29.485 1.00 62.82 C +ANISOU 2322 CD1 ILE A1018 6637 9664 7566 -720 505 -140 C +ATOM 2323 N PRO A1019 -12.573 210.766 32.069 1.00 48.37 N +ATOM 2324 CA PRO A1019 -12.279 211.753 33.141 1.00 55.44 C +ATOM 2325 C PRO A1019 -11.187 211.259 34.107 1.00 61.19 C +ATOM 2326 O PRO A1019 -11.017 210.030 34.270 1.00 52.68 O +ATOM 2327 CB PRO A1019 -13.625 211.918 33.880 1.00 56.92 C +ATOM 2328 CG PRO A1019 -14.669 211.449 32.910 1.00 57.14 C +ATOM 2329 CD PRO A1019 -14.011 210.411 32.022 1.00 54.14 C +ATOM 2330 N GLN A1020 -10.467 212.214 34.713 1.00 68.27 N +ATOM 2331 CA GLN A1020 -9.331 211.941 35.613 1.00 75.22 C +ATOM 2332 C GLN A1020 -9.464 212.641 36.960 1.00 73.95 C +ATOM 2333 O GLN A1020 -10.566 213.010 37.368 1.00 81.40 O +ATOM 2334 CB GLN A1020 -8.041 212.380 34.944 1.00 75.04 C +ATOM 2335 CG GLN A1020 -7.706 211.552 33.712 1.00 80.06 C +ATOM 2336 CD GLN A1020 -6.462 212.039 32.983 1.00 85.03 C +ATOM 2337 OE1 GLN A1020 -5.819 213.069 33.527 1.00 83.36 O +ATOM 2338 NE2 GLN A1020 -6.082 211.496 31.944 1.00 90.54 N +TER 2339 GLN A1020 +HETATM 2340 CAO IRE A1101 6.423 190.308 17.402 1.00103.39 C +HETATM 2341 CAL IRE A1101 7.136 189.306 16.473 1.00101.42 C +HETATM 2342 OAU IRE A1101 6.218 188.873 15.401 1.00102.32 O +HETATM 2343 CAM IRE A1101 4.872 188.499 15.860 1.00101.96 C +HETATM 2344 CAP IRE A1101 4.200 189.790 16.265 1.00101.82 C +HETATM 2345 NBE IRE A1101 5.186 190.789 16.758 1.00103.82 N +HETATM 2346 CAN IRE A1101 4.516 191.313 17.973 1.00 95.84 C +HETATM 2347 CAJ IRE A1101 3.362 192.174 17.476 1.00 84.42 C +HETATM 2348 CAK IRE A1101 2.693 192.768 18.712 1.00 74.34 C +HETATM 2349 OAV IRE A1101 1.511 193.312 18.093 1.00 57.90 O +HETATM 2350 CBA IRE A1101 0.836 194.350 18.640 1.00 54.72 C +HETATM 2351 CAZ IRE A1101 0.024 195.060 17.743 1.00 48.10 C +HETATM 2352 CAH IRE A1101 -0.722 196.148 18.205 1.00 45.46 C +HETATM 2353 OAT IRE A1101 0.043 194.619 16.438 1.00 45.97 O +HETATM 2354 CAA IRE A1101 -0.975 195.157 15.577 1.00 44.73 C +HETATM 2355 CAI IRE A1101 0.901 194.682 20.008 1.00 47.57 C +HETATM 2356 C5 IRE A1101 0.141 195.764 20.476 1.00 44.68 C +HETATM 2357 C4 IRE A1101 -0.666 196.485 19.563 1.00 42.63 C +HETATM 2358 N3 IRE A1101 -1.421 197.518 19.972 1.00 38.63 N +HETATM 2359 C2 IRE A1101 -1.362 197.899 21.320 1.00 42.23 C +HETATM 2360 N1 IRE A1101 -0.571 197.193 22.221 1.00 38.97 N +HETATM 2361 C6 IRE A1101 0.151 196.138 21.847 1.00 43.89 C +HETATM 2362 NAS IRE A1101 0.925 195.441 22.741 1.00 46.69 N +HETATM 2363 CAY IRE A1101 0.748 195.622 24.072 1.00 46.17 C +HETATM 2364 CAG IRE A1101 -0.529 195.575 24.674 1.00 47.37 C +HETATM 2365 CAX IRE A1101 -0.665 195.780 26.049 1.00 46.38 C +HETATM 2366 CL IRE A1101 -2.264 195.751 26.802 1.00 45.77 CL +HETATM 2367 CAW IRE A1101 0.474 196.030 26.817 1.00 46.74 C +HETATM 2368 FAB IRE A1101 0.351 196.204 28.140 1.00 48.93 F +HETATM 2369 CAD IRE A1101 1.759 196.052 26.229 1.00 47.50 C +HETATM 2370 CAE IRE A1101 1.887 195.846 24.849 1.00 43.74 C +HETATM 2371 NA NA A1102 19.723 211.838 -0.164 1.00 35.81 NA +HETATM 2372 O1 MES A1103 13.278 190.111 22.684 1.00 72.15 O +HETATM 2373 C2 MES A1103 13.733 189.854 24.022 1.00 71.49 C +HETATM 2374 C3 MES A1103 15.232 190.108 24.187 1.00 73.84 C +HETATM 2375 N4 MES A1103 16.003 189.437 23.106 1.00 75.79 N +HETATM 2376 C5 MES A1103 15.543 189.956 21.800 1.00 72.13 C +HETATM 2377 C6 MES A1103 14.075 189.587 21.615 1.00 69.62 C +HETATM 2378 C7 MES A1103 17.475 189.636 23.188 1.00 77.69 C +HETATM 2379 C8 MES A1103 18.029 189.446 24.611 1.00 80.71 C +HETATM 2380 S MES A1103 19.696 189.624 24.718 1.00 82.23 S +HETATM 2381 O1S MES A1103 20.380 189.037 23.529 1.00 78.18 O +HETATM 2382 O2S MES A1103 20.048 191.050 24.739 1.00 56.83 O +HETATM 2383 O3S MES A1103 20.140 189.011 26.030 1.00 76.67 O +HETATM 2384 O HOH A1201 -6.637 212.602 23.294 1.00 39.37 O +HETATM 2385 O HOH A1202 36.576 202.446 22.668 1.00 36.83 O +HETATM 2386 O HOH A1203 20.693 222.103 3.317 1.00 32.59 O +HETATM 2387 O HOH A1204 18.564 221.549 10.294 1.00 47.47 O +HETATM 2388 O HOH A1205 19.181 209.889 -1.115 1.00 34.93 O +HETATM 2389 O HOH A1206 20.626 219.673 22.425 1.00 44.15 O +HETATM 2390 O HOH A1207 7.674 214.978 44.839 1.00 42.19 O +HETATM 2391 O HOH A1208 -0.592 214.550 43.115 1.00 41.08 O +HETATM 2392 O HOH A1209 12.996 213.247 36.837 1.00 44.71 O +HETATM 2393 O HOH A1210 25.014 220.185 11.742 1.00 38.62 O +HETATM 2394 O HOH A1211 -11.394 203.581 39.350 1.00 41.92 O +HETATM 2395 O HOH A1212 -2.744 214.582 41.891 1.00 46.75 O +HETATM 2396 O HOH A1213 32.377 201.886 15.029 1.00 43.16 O +HETATM 2397 O HOH A1214 21.208 222.056 7.537 1.00 34.73 O +HETATM 2398 O HOH A1215 21.048 221.507 10.210 1.00 45.04 O +HETATM 2399 O HOH A1216 8.437 209.141 43.178 1.00 44.94 O +HETATM 2400 O HOH A1217 9.421 204.261 44.167 1.00 45.86 O +HETATM 2401 O HOH A1218 27.641 219.241 10.964 1.00 42.49 O +HETATM 2402 O HOH A1219 13.023 216.833 31.247 1.00 46.00 O +HETATM 2403 O HOH A1220 9.986 218.209 30.074 1.00 41.22 O +HETATM 2404 O HOH A1221 13.681 219.236 24.270 1.00 33.16 O +HETATM 2405 O HOH A1222 -11.307 208.715 16.402 1.00 43.26 O +HETATM 2406 O HOH A1223 26.087 215.596 7.895 1.00 25.01 O +HETATM 2407 O HOH A1224 2.025 214.527 28.718 1.00 34.56 O +HETATM 2408 O HOH A1225 17.189 217.515 3.269 1.00 31.92 O +HETATM 2409 O HOH A1226 20.653 218.823 2.382 1.00 36.58 O +HETATM 2410 O HOH A1227 21.559 212.667 1.146 1.00 32.78 O +HETATM 2411 O HOH A1228 26.639 218.042 7.052 1.00 34.27 O +HETATM 2412 O HOH A1229 7.364 215.063 17.379 1.00 54.72 O +HETATM 2413 O HOH A1230 28.250 219.558 8.412 1.00 41.96 O +HETATM 2414 O HOH A1231 26.831 224.215 9.187 1.00 43.93 O +HETATM 2415 O HOH A1232 33.184 206.505 27.385 1.00 38.10 O +HETATM 2416 O HOH A1233 -13.798 201.232 37.041 1.00 39.33 O +HETATM 2417 O HOH A1234 31.833 201.825 12.458 1.00 38.08 O +HETATM 2418 O HOH A1235 32.813 208.412 29.506 1.00 43.56 O +HETATM 2419 O HOH A1236 28.380 205.303 7.298 1.00 43.17 O +HETATM 2420 O HOH A1237 14.552 213.209 -2.773 1.00 43.14 O +HETATM 2421 O HOH A1238 19.444 206.938 -4.524 1.00 50.08 O +HETATM 2422 O HOH A1239 6.969 215.657 28.844 1.00 39.71 O +HETATM 2423 O HOH A1240 2.104 216.513 25.467 1.00 49.01 O +HETATM 2424 O HOH A1241 0.000 215.563 26.924 0.50 43.56 O +HETATM 2425 O HOH A1242 4.991 202.695 42.503 1.00 42.61 O +HETATM 2426 O HOH A1243 6.950 215.995 24.520 1.00 37.74 O +HETATM 2427 O HOH A1244 15.876 221.070 50.066 1.00 47.92 O +HETATM 2428 O HOH A1245 1.171 215.994 20.706 1.00 41.24 O +HETATM 2429 O HOH A1246 5.287 214.218 23.864 1.00 34.11 O +HETATM 2430 O HOH A1247 8.521 215.102 26.561 1.00 29.67 O +HETATM 2431 O HOH A1248 15.377 214.638 29.646 1.00 28.27 O +HETATM 2432 O HOH A1249 14.069 195.600 19.540 1.00 31.49 O +HETATM 2433 O HOH A1250 24.280 197.718 24.017 1.00 29.80 O +HETATM 2434 O HOH A1251 13.663 207.254 32.009 1.00 29.63 O +HETATM 2435 O HOH A1252 24.688 196.255 26.186 1.00 29.40 O +HETATM 2436 O HOH A1253 17.841 212.012 30.070 1.00 27.03 O +HETATM 2437 O HOH A1254 15.835 200.836 28.777 1.00 31.51 O +HETATM 2438 O HOH A1255 9.515 197.987 31.040 1.00 29.34 O +HETATM 2439 O HOH A1256 20.671 199.397 31.152 1.00 36.30 O +HETATM 2440 O HOH A1257 15.770 196.696 26.129 1.00 32.92 O +HETATM 2441 O HOH A1258 16.948 194.373 16.322 1.00 33.22 O +HETATM 2442 O HOH A1259 22.180 201.922 7.384 1.00 30.24 O +HETATM 2443 O HOH A1260 17.661 201.600 31.971 1.00 32.54 O +HETATM 2444 O HOH A1261 16.845 200.326 44.380 1.00 46.97 O +HETATM 2445 O HOH A1262 8.322 201.169 40.767 1.00 38.02 O +HETATM 2446 O HOH A1263 13.806 210.829 38.348 1.00 35.16 O +HETATM 2447 O HOH A1264 4.552 199.780 39.239 1.00 42.40 O +HETATM 2448 O HOH A1265 14.060 210.895 41.083 1.00 34.28 O +HETATM 2449 O HOH A1266 18.974 210.642 1.850 1.00 31.16 O +HETATM 2450 O HOH A1267 27.171 199.870 21.346 1.00 34.28 O +HETATM 2451 O HOH A1268 -2.237 212.290 40.435 1.00 34.47 O +HETATM 2452 O HOH A1269 25.852 215.260 16.290 1.00 37.69 O +HETATM 2453 O HOH A1270 3.203 215.804 22.861 1.00 44.76 O +HETATM 2454 O HOH A1271 28.508 206.273 35.100 1.00 44.79 O +HETATM 2455 O HOH A1272 18.216 208.458 37.227 1.00 36.90 O +HETATM 2456 O HOH A1273 16.371 192.175 17.667 1.00 36.95 O +HETATM 2457 O HOH A1274 15.749 213.614 35.786 1.00 40.77 O +HETATM 2458 O HOH A1275 9.523 194.971 29.573 1.00 38.44 O +HETATM 2459 O HOH A1276 26.550 194.838 15.330 1.00 51.13 O +HETATM 2460 O HOH A1277 22.804 192.988 35.437 1.00 42.83 O +HETATM 2461 O HOH A1278 -0.496 209.455 37.803 1.00 41.84 O +HETATM 2462 O HOH A1279 3.184 197.677 29.283 1.00 38.59 O +HETATM 2463 O HOH A1280 14.335 192.748 19.452 1.00 39.11 O +HETATM 2464 O HOH A1281 -6.714 208.873 35.987 1.00 44.84 O +HETATM 2465 O HOH A1282 7.056 199.150 38.933 1.00 45.75 O +HETATM 2466 O HOH A1283 18.303 190.657 18.963 1.00 44.19 O +HETATM 2467 O HOH A1284 29.093 202.753 32.425 1.00 41.30 O +HETATM 2468 O HOH A1285 20.126 193.960 36.374 1.00 41.94 O +HETATM 2469 O HOH A1286 1.749 211.835 41.464 1.00 53.50 O +HETATM 2470 O HOH A1287 1.181 213.020 33.090 1.00 44.19 O +HETATM 2471 O HOH A1288 15.660 193.044 36.879 1.00 41.61 O +HETATM 2472 O HOH A1289 29.053 194.839 16.255 1.00 57.20 O +HETATM 2473 O HOH A1290 -8.181 202.800 19.546 1.00 29.16 O +HETATM 2474 O HOH A1291 -0.330 207.910 27.477 1.00 35.33 O +HETATM 2475 O HOH A1292 -6.823 209.113 16.536 1.00 41.25 O +HETATM 2476 O HOH A1293 -9.494 205.570 34.186 1.00 39.57 O +HETATM 2477 O HOH A1294 -4.701 203.290 25.517 1.00 38.91 O +HETATM 2478 O HOH A1295 -7.333 202.471 33.959 1.00 43.17 O +HETATM 2479 O HOH A1296 -1.032 208.398 24.228 1.00 33.64 O +HETATM 2480 O HOH A1297 21.413 218.231 15.836 1.00 43.67 O +HETATM 2481 O HOH A1298 -2.145 210.424 15.642 1.00 45.85 O +HETATM 2482 O HOH A1299 20.683 191.434 11.874 1.00 47.19 O +HETATM 2483 O HOH A1300 21.397 190.372 18.685 1.00 44.86 O +HETATM 2484 O HOH A1301 -1.497 201.265 23.343 1.00 37.56 O +HETATM 2485 O HOH A1302 31.042 189.148 28.802 1.00 41.10 O +HETATM 2486 O HOH A1303 -11.896 205.551 34.720 1.00 42.05 O +HETATM 2487 O HOH A1304 5.100 196.174 12.707 1.00 42.08 O +HETATM 2488 O HOH A1305 27.477 190.171 29.054 1.00 42.70 O +HETATM 2489 O HOH A1306 20.068 209.597 35.471 1.00 38.52 O +HETATM 2490 O HOH A1307 23.067 204.595 35.047 1.00 46.50 O +HETATM 2491 O HOH A1308 -2.716 209.130 26.838 1.00 42.77 O +HETATM 2492 O HOH A1309 -8.981 204.426 31.838 1.00 46.31 O +HETATM 2493 O HOH A1310 27.022 188.983 31.420 1.00 52.08 O +HETATM 2494 O HOH A1311 14.896 190.069 16.199 1.00 46.49 O +HETATM 2495 O HOH A1312 11.131 197.149 42.864 1.00 47.20 O +HETATM 2496 O HOH A1313 28.105 199.393 9.814 1.00 46.74 O +HETATM 2497 O HOH A1314 6.915 211.275 9.639 1.00 54.84 O +HETATM 2498 O HOH A1315 -13.078 208.325 34.882 1.00 50.20 O +HETATM 2499 O HOH A1316 16.899 210.513 38.721 1.00 50.41 O +HETATM 2500 O HOH A1317 -5.406 205.801 34.488 1.00 46.85 O +HETATM 2501 O HOH A1318 28.295 194.846 41.457 1.00 57.38 O +HETATM 2502 O HOH A1319 11.312 193.181 25.794 0.50 19.73 O +HETATM 2503 O HOH A1320 0.479 199.044 24.287 1.00 39.29 O +HETATM 2504 O HOH A1321 22.851 213.008 34.151 1.00 51.29 O +CONECT 697 699 +CONECT 699 697 700 +CONECT 700 699 701 703 +CONECT 701 700 702 +CONECT 702 701 705 +CONECT 703 700 704 706 +CONECT 704 703 +CONECT 705 702 +CONECT 706 703 +CONECT 2158 2371 +CONECT 2340 2341 2345 +CONECT 2341 2340 2342 +CONECT 2342 2341 2343 +CONECT 2343 2342 2344 +CONECT 2344 2343 2345 +CONECT 2345 2340 2344 2346 +CONECT 2346 2345 2347 +CONECT 2347 2346 2348 +CONECT 2348 2347 2349 +CONECT 2349 2348 2350 +CONECT 2350 2349 2351 2355 +CONECT 2351 2350 2352 2353 +CONECT 2352 2351 2357 +CONECT 2353 2351 2354 +CONECT 2354 2353 +CONECT 2355 2350 2356 +CONECT 2356 2355 2357 2361 +CONECT 2357 2352 2356 2358 +CONECT 2358 2357 2359 +CONECT 2359 2358 2360 +CONECT 2360 2359 2361 +CONECT 2361 2356 2360 2362 +CONECT 2362 2361 2363 +CONECT 2363 2362 2364 2370 +CONECT 2364 2363 2365 +CONECT 2365 2364 2366 2367 +CONECT 2366 2365 +CONECT 2367 2365 2368 2369 +CONECT 2368 2367 +CONECT 2369 2367 2370 +CONECT 2370 2363 2369 +CONECT 2371 2158 2388 2410 2449 +CONECT 2372 2373 2377 +CONECT 2373 2372 2374 +CONECT 2374 2373 2375 +CONECT 2375 2374 2376 2378 +CONECT 2376 2375 2377 +CONECT 2377 2372 2376 +CONECT 2378 2375 2379 +CONECT 2379 2378 2380 +CONECT 2380 2379 2381 2382 2383 +CONECT 2381 2380 +CONECT 2382 2380 +CONECT 2383 2380 +CONECT 2388 2371 +CONECT 2410 2371 +CONECT 2449 2371 +MASTER 482 0 4 16 11 0 7 6 2482 1 57 26 +END diff --git a/data/targets/budget_efficiency_benchmark_B/abl1_1iep.pdb b/data/targets/budget_efficiency_benchmark_B/abl1_1iep.pdb new file mode 100644 index 0000000000000000000000000000000000000000..c80378b88b7380f1c0f865382620e259410be382 --- /dev/null +++ b/data/targets/budget_efficiency_benchmark_B/abl1_1iep.pdb @@ -0,0 +1,5365 @@ +HEADER TRANSFERASE 10-APR-01 1IEP +TITLE CRYSTAL STRUCTURE OF THE C-ABL KINASE DOMAIN IN COMPLEX WITH STI-571. +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ABL; +COMPND 3 CHAIN: A, B; +COMPND 4 FRAGMENT: KINASE DOMAIN; +COMPND 5 SYNONYM: P150, C-ABL; +COMPND 6 EC: 2.7.1.112; +COMPND 7 ENGINEERED: YES +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; +SOURCE 3 ORGANISM_COMMON: HOUSE MOUSE; +SOURCE 4 ORGANISM_TAXID: 10090; +SOURCE 5 EXPRESSION_SYSTEM: SPODOPTERA FRUGIPERDA; +SOURCE 6 EXPRESSION_SYSTEM_COMMON: FALL ARMYWORM; +SOURCE 7 EXPRESSION_SYSTEM_TAXID: 7108; +SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: BACULOVIRUS; +SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PFASTBAC +KEYWDS KINASE, KINASE INHIBITOR, STI-571, ACTIVATION LOOP, TRANSFERASE +EXPDTA X-RAY DIFFRACTION +AUTHOR B.NAGAR,W.BORNMANN,T.SCHINDLER,B.CLARKSON,J.KURIYAN +REVDAT 4 09-AUG-23 1IEP 1 REMARK SEQADV HETSYN +REVDAT 3 24-FEB-09 1IEP 1 VERSN +REVDAT 2 01-JUL-03 1IEP 1 JRNL +REVDAT 1 18-APR-01 1IEP 0 +JRNL AUTH B.NAGAR,W.BORNMANN,P.PELLICENA,T.SCHINDLER,D.R.VEACH, +JRNL AUTH 2 W.T.MILLER,B.CLARKSON,J.KURIYAN +JRNL TITL CRYSTAL STRUCTURES OF THE KINASE DOMAIN OF C-ABL IN COMPLEX +JRNL TITL 2 WITH THE SMALL MOLECULE INHIBITORS PD173955 AND IMATINIB +JRNL TITL 3 (STI-571) +JRNL REF CANCER RES. V. 62 4236 2002 +JRNL REFN ISSN 0008-5472 +JRNL PMID 12154025 +REMARK 2 +REMARK 2 RESOLUTION. 2.10 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : CNS +REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- +REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU, +REMARK 3 : READ,RICE,SIMONSON,WARREN +REMARK 3 +REMARK 3 REFINEMENT TARGET : ENGH & HUBER +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.10 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 29.14 +REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 +REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 565920.720 +REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000 +REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 95.6 +REMARK 3 NUMBER OF REFLECTIONS : 35704 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT +REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM +REMARK 3 R VALUE (WORKING SET) : 0.231 +REMARK 3 FREE R VALUE : 0.262 +REMARK 3 FREE R VALUE TEST SET SIZE (%) : 8.200 +REMARK 3 FREE R VALUE TEST SET COUNT : 2917 +REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.005 +REMARK 3 +REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. +REMARK 3 TOTAL NUMBER OF BINS USED : 6 +REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.10 +REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.23 +REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 88.60 +REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 4978 +REMARK 3 BIN R VALUE (WORKING SET) : 0.3330 +REMARK 3 BIN FREE R VALUE : 0.3930 +REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 8.30 +REMARK 3 BIN FREE R VALUE TEST SET COUNT : 452 +REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.018 +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 4458 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 80 +REMARK 3 SOLVENT ATOMS : 172 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : 28.00 +REMARK 3 MEAN B VALUE (OVERALL, A**2) : 55.10 +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : 20.66000 +REMARK 3 B22 (A**2) : -6.98000 +REMARK 3 B33 (A**2) : -13.67000 +REMARK 3 B12 (A**2) : 0.00000 +REMARK 3 B13 (A**2) : 0.00000 +REMARK 3 B23 (A**2) : 0.00000 +REMARK 3 +REMARK 3 ESTIMATED COORDINATE ERROR. +REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.30 +REMARK 3 ESD FROM SIGMAA (A) : 0.33 +REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 +REMARK 3 +REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. +REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.36 +REMARK 3 ESD FROM C-V SIGMAA (A) : 0.43 +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. +REMARK 3 BOND LENGTHS (A) : 0.005 +REMARK 3 BOND ANGLES (DEGREES) : 1.200 +REMARK 3 DIHEDRAL ANGLES (DEGREES) : 21.30 +REMARK 3 IMPROPER ANGLES (DEGREES) : 0.690 +REMARK 3 +REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED +REMARK 3 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA +REMARK 3 MAIN-CHAIN BOND (A**2) : 2.270 ; 1.500 +REMARK 3 MAIN-CHAIN ANGLE (A**2) : 3.530 ; 2.000 +REMARK 3 SIDE-CHAIN BOND (A**2) : 3.230 ; 2.000 +REMARK 3 SIDE-CHAIN ANGLE (A**2) : 4.690 ; 2.500 +REMARK 3 +REMARK 3 BULK SOLVENT MODELING. +REMARK 3 METHOD USED : FLAT MODEL +REMARK 3 KSOL : 0.35 +REMARK 3 BSOL : 49.07 +REMARK 3 +REMARK 3 NCS MODEL : NULL +REMARK 3 +REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT +REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL +REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL +REMARK 3 +REMARK 3 PARAMETER FILE 1 : PROTEIN_REP.PARAM +REMARK 3 PARAMETER FILE 2 : STIPIPFLIP.PAR +REMARK 3 PARAMETER FILE 3 : WATER_REP.PARAM +REMARK 3 PARAMETER FILE 4 : ION.PARAM +REMARK 3 PARAMETER FILE 5 : NULL +REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP +REMARK 3 TOPOLOGY FILE 2 : STIPIPFLIP.TOP +REMARK 3 TOPOLOGY FILE 3 : WATER.TOP +REMARK 3 TOPOLOGY FILE 4 : ION.TOP +REMARK 3 TOPOLOGY FILE 5 : NULL +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: NULL +REMARK 4 +REMARK 4 1IEP COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 11-APR-01. +REMARK 100 THE DEPOSITION ID IS D_1000013215. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : 30-JAN-01 +REMARK 200 TEMPERATURE (KELVIN) : 103 +REMARK 200 PH : 6.5 +REMARK 200 NUMBER OF CRYSTALS USED : 1 +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : Y +REMARK 200 RADIATION SOURCE : CHESS +REMARK 200 BEAMLINE : F1 +REMARK 200 X-RAY GENERATOR MODEL : NULL +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 0.949 +REMARK 200 MONOCHROMATOR : SI +REMARK 200 OPTICS : NULL +REMARK 200 +REMARK 200 DETECTOR TYPE : CCD +REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 4 +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO +REMARK 200 DATA SCALING SOFTWARE : SCALEPACK +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 37004 +REMARK 200 RESOLUTION RANGE HIGH (A) : 2.100 +REMARK 200 RESOLUTION RANGE LOW (A) : 29.140 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 99.0 +REMARK 200 DATA REDUNDANCY : 5.300 +REMARK 200 R MERGE (I) : NULL +REMARK 200 R SYM (I) : 0.04100 +REMARK 200 FOR THE DATA SET : 16.3000 +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.10 +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.18 +REMARK 200 COMPLETENESS FOR SHELL (%) : 97.1 +REMARK 200 DATA REDUNDANCY IN SHELL : 4.50 +REMARK 200 R MERGE FOR SHELL (I) : NULL +REMARK 200 R SYM FOR SHELL (I) : 0.27000 +REMARK 200 FOR SHELL : 4.200 +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: FOURIER SYNTHESIS +REMARK 200 SOFTWARE USED: CNS +REMARK 200 STARTING MODEL: PDB ENTRY 1FPU +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 53.00 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.60 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: PEG 4000, MAGNESIUM CHLORIDE, MES, PH +REMARK 280 6.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 277K +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: F 2 2 2 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -X,-Y,Z +REMARK 290 3555 -X,Y,-Z +REMARK 290 4555 X,-Y,-Z +REMARK 290 5555 X,Y+1/2,Z+1/2 +REMARK 290 6555 -X,-Y+1/2,Z+1/2 +REMARK 290 7555 -X,Y+1/2,-Z+1/2 +REMARK 290 8555 X,-Y+1/2,-Z+1/2 +REMARK 290 9555 X+1/2,Y,Z+1/2 +REMARK 290 10555 -X+1/2,-Y,Z+1/2 +REMARK 290 11555 -X+1/2,Y,-Z+1/2 +REMARK 290 12555 X+1/2,-Y,-Z+1/2 +REMARK 290 13555 X+1/2,Y+1/2,Z +REMARK 290 14555 -X+1/2,-Y+1/2,Z +REMARK 290 15555 -X+1/2,Y+1/2,-Z +REMARK 290 16555 X+1/2,-Y+1/2,-Z +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 73.68550 +REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 76.72100 +REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 73.68550 +REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 76.72100 +REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 73.68550 +REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 76.72100 +REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 73.68550 +REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 76.72100 +REMARK 290 SMTRY1 9 1.000000 0.000000 0.000000 56.44250 +REMARK 290 SMTRY2 9 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 9 0.000000 0.000000 1.000000 76.72100 +REMARK 290 SMTRY1 10 -1.000000 0.000000 0.000000 56.44250 +REMARK 290 SMTRY2 10 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 10 0.000000 0.000000 1.000000 76.72100 +REMARK 290 SMTRY1 11 -1.000000 0.000000 0.000000 56.44250 +REMARK 290 SMTRY2 11 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 11 0.000000 0.000000 -1.000000 76.72100 +REMARK 290 SMTRY1 12 1.000000 0.000000 0.000000 56.44250 +REMARK 290 SMTRY2 12 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 12 0.000000 0.000000 -1.000000 76.72100 +REMARK 290 SMTRY1 13 1.000000 0.000000 0.000000 56.44250 +REMARK 290 SMTRY2 13 0.000000 1.000000 0.000000 73.68550 +REMARK 290 SMTRY3 13 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 14 -1.000000 0.000000 0.000000 56.44250 +REMARK 290 SMTRY2 14 0.000000 -1.000000 0.000000 73.68550 +REMARK 290 SMTRY3 14 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 15 -1.000000 0.000000 0.000000 56.44250 +REMARK 290 SMTRY2 15 0.000000 1.000000 0.000000 73.68550 +REMARK 290 SMTRY3 15 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 SMTRY1 16 1.000000 0.000000 0.000000 56.44250 +REMARK 290 SMTRY2 16 0.000000 -1.000000 0.000000 73.68550 +REMARK 290 SMTRY3 16 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1, 2 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 +REMARK 350 BIOMOLECULE: 2 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC +REMARK 350 APPLY THE FOLLOWING TO CHAINS: B +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 465 +REMARK 465 MISSING RESIDUES +REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE +REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) +REMARK 465 +REMARK 465 M RES C SSSEQI +REMARK 465 GLY A 223 +REMARK 465 ALA A 224 +REMARK 465 GLU A 499 +REMARK 465 SER A 500 +REMARK 465 SER A 501 +REMARK 465 ILE A 502 +REMARK 465 SER A 503 +REMARK 465 ASP A 504 +REMARK 465 GLU A 505 +REMARK 465 VAL A 506 +REMARK 465 GLU A 507 +REMARK 465 LYS A 508 +REMARK 465 GLU A 509 +REMARK 465 LEU A 510 +REMARK 465 GLY A 511 +REMARK 465 LYS A 512 +REMARK 465 ARG A 513 +REMARK 465 GLY A 514 +REMARK 465 THR A 515 +REMARK 465 GLY B 223 +REMARK 465 ALA B 224 +REMARK 465 GLU B 499 +REMARK 465 SER B 500 +REMARK 465 SER B 501 +REMARK 465 ILE B 502 +REMARK 465 SER B 503 +REMARK 465 ASP B 504 +REMARK 465 GLU B 505 +REMARK 465 VAL B 506 +REMARK 465 GLU B 507 +REMARK 465 LYS B 508 +REMARK 465 GLU B 509 +REMARK 465 LEU B 510 +REMARK 465 GLY B 511 +REMARK 465 LYS B 512 +REMARK 465 ARG B 513 +REMARK 465 GLY B 514 +REMARK 465 THR B 515 +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 LYS A 245 -143.51 -126.27 +REMARK 500 LYS A 262 -63.58 -29.05 +REMARK 500 LYS A 263 -18.69 -42.64 +REMARK 500 LYS A 274 169.47 -49.52 +REMARK 500 GLU A 275 78.74 -52.31 +REMARK 500 ASP A 276 82.34 54.59 +REMARK 500 MET A 278 37.61 -70.50 +REMARK 500 ARG A 362 -16.49 87.76 +REMARK 500 ASP A 363 54.49 -150.99 +REMARK 500 HIS A 396 99.09 -174.66 +REMARK 500 TYR A 440 61.19 38.04 +REMARK 500 SER B 229 140.99 -39.16 +REMARK 500 LYS B 245 -129.10 -93.00 +REMARK 500 LYS B 262 -72.14 -26.96 +REMARK 500 LYS B 263 -34.93 -38.82 +REMARK 500 MET B 278 13.82 -150.89 +REMARK 500 ARG B 362 -19.72 87.89 +REMARK 500 ASP B 363 55.43 -146.51 +REMARK 500 LEU B 387 -38.40 -163.21 +REMARK 500 THR B 389 -176.15 -68.60 +REMARK 500 ASP B 391 -9.78 -58.19 +REMARK 500 HIS B 396 129.65 -170.86 +REMARK 500 MET B 496 20.35 -69.59 +REMARK 500 PHE B 497 -97.19 -142.59 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 800 +REMARK 800 SITE +REMARK 800 SITE_IDENTIFIER: AC1 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL A 1 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC2 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL A 2 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC3 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL B 3 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC4 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL A 4 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC5 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL A 5 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC6 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL B 6 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC7 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE STI A 201 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC8 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE STI B 202 +REMARK 900 +REMARK 900 RELATED ENTRIES +REMARK 900 RELATED ID: 1FPU RELATED DB: PDB +DBREF 1IEP A 229 515 UNP P00520 ABL1_MOUSE 229 515 +DBREF 1IEP B 229 515 UNP P00520 ABL1_MOUSE 229 515 +SEQADV 1IEP GLY A 223 UNP P00520 CLONING ARTIFACT +SEQADV 1IEP ALA A 224 UNP P00520 CLONING ARTIFACT +SEQADV 1IEP MET A 225 UNP P00520 CLONING ARTIFACT +SEQADV 1IEP ASP A 226 UNP P00520 CLONING ARTIFACT +SEQADV 1IEP PRO A 227 UNP P00520 CLONING ARTIFACT +SEQADV 1IEP SER A 228 UNP P00520 CLONING ARTIFACT +SEQADV 1IEP GLY B 223 UNP P00520 CLONING ARTIFACT +SEQADV 1IEP ALA B 224 UNP P00520 CLONING ARTIFACT +SEQADV 1IEP MET B 225 UNP P00520 CLONING ARTIFACT +SEQADV 1IEP ASP B 226 UNP P00520 CLONING ARTIFACT +SEQADV 1IEP PRO B 227 UNP P00520 CLONING ARTIFACT +SEQADV 1IEP SER B 228 UNP P00520 CLONING ARTIFACT +SEQRES 1 A 293 GLY ALA MET ASP PRO SER SER PRO ASN TYR ASP LYS TRP +SEQRES 2 A 293 GLU MET GLU ARG THR ASP ILE THR MET LYS HIS LYS LEU +SEQRES 3 A 293 GLY GLY GLY GLN TYR GLY GLU VAL TYR GLU GLY VAL TRP +SEQRES 4 A 293 LYS LYS TYR SER LEU THR VAL ALA VAL LYS THR LEU LYS +SEQRES 5 A 293 GLU ASP THR MET GLU VAL GLU GLU PHE LEU LYS GLU ALA +SEQRES 6 A 293 ALA VAL MET LYS GLU ILE LYS HIS PRO ASN LEU VAL GLN +SEQRES 7 A 293 LEU LEU GLY VAL CYS THR ARG GLU PRO PRO PHE TYR ILE +SEQRES 8 A 293 ILE THR GLU PHE MET THR TYR GLY ASN LEU LEU ASP TYR +SEQRES 9 A 293 LEU ARG GLU CYS ASN ARG GLN GLU VAL SER ALA VAL VAL +SEQRES 10 A 293 LEU LEU TYR MET ALA THR GLN ILE SER SER ALA MET GLU +SEQRES 11 A 293 TYR LEU GLU LYS LYS ASN PHE ILE HIS ARG ASP LEU ALA +SEQRES 12 A 293 ALA ARG ASN CYS LEU VAL GLY GLU ASN HIS LEU VAL LYS +SEQRES 13 A 293 VAL ALA ASP PHE GLY LEU SER ARG LEU MET THR GLY ASP +SEQRES 14 A 293 THR TYR THR ALA HIS ALA GLY ALA LYS PHE PRO ILE LYS +SEQRES 15 A 293 TRP THR ALA PRO GLU SER LEU ALA TYR ASN LYS PHE SER +SEQRES 16 A 293 ILE LYS SER ASP VAL TRP ALA PHE GLY VAL LEU LEU TRP +SEQRES 17 A 293 GLU ILE ALA THR TYR GLY MET SER PRO TYR PRO GLY ILE +SEQRES 18 A 293 ASP LEU SER GLN VAL TYR GLU LEU LEU GLU LYS ASP TYR +SEQRES 19 A 293 ARG MET GLU ARG PRO GLU GLY CYS PRO GLU LYS VAL TYR +SEQRES 20 A 293 GLU LEU MET ARG ALA CYS TRP GLN TRP ASN PRO SER ASP +SEQRES 21 A 293 ARG PRO SER PHE ALA GLU ILE HIS GLN ALA PHE GLU THR +SEQRES 22 A 293 MET PHE GLN GLU SER SER ILE SER ASP GLU VAL GLU LYS +SEQRES 23 A 293 GLU LEU GLY LYS ARG GLY THR +SEQRES 1 B 293 GLY ALA MET ASP PRO SER SER PRO ASN TYR ASP LYS TRP +SEQRES 2 B 293 GLU MET GLU ARG THR ASP ILE THR MET LYS HIS LYS LEU +SEQRES 3 B 293 GLY GLY GLY GLN TYR GLY GLU VAL TYR GLU GLY VAL TRP +SEQRES 4 B 293 LYS LYS TYR SER LEU THR VAL ALA VAL LYS THR LEU LYS +SEQRES 5 B 293 GLU ASP THR MET GLU VAL GLU GLU PHE LEU LYS GLU ALA +SEQRES 6 B 293 ALA VAL MET LYS GLU ILE LYS HIS PRO ASN LEU VAL GLN +SEQRES 7 B 293 LEU LEU GLY VAL CYS THR ARG GLU PRO PRO PHE TYR ILE +SEQRES 8 B 293 ILE THR GLU PHE MET THR TYR GLY ASN LEU LEU ASP TYR +SEQRES 9 B 293 LEU ARG GLU CYS ASN ARG GLN GLU VAL SER ALA VAL VAL +SEQRES 10 B 293 LEU LEU TYR MET ALA THR GLN ILE SER SER ALA MET GLU +SEQRES 11 B 293 TYR LEU GLU LYS LYS ASN PHE ILE HIS ARG ASP LEU ALA +SEQRES 12 B 293 ALA ARG ASN CYS LEU VAL GLY GLU ASN HIS LEU VAL LYS +SEQRES 13 B 293 VAL ALA ASP PHE GLY LEU SER ARG LEU MET THR GLY ASP +SEQRES 14 B 293 THR TYR THR ALA HIS ALA GLY ALA LYS PHE PRO ILE LYS +SEQRES 15 B 293 TRP THR ALA PRO GLU SER LEU ALA TYR ASN LYS PHE SER +SEQRES 16 B 293 ILE LYS SER ASP VAL TRP ALA PHE GLY VAL LEU LEU TRP +SEQRES 17 B 293 GLU ILE ALA THR TYR GLY MET SER PRO TYR PRO GLY ILE +SEQRES 18 B 293 ASP LEU SER GLN VAL TYR GLU LEU LEU GLU LYS ASP TYR +SEQRES 19 B 293 ARG MET GLU ARG PRO GLU GLY CYS PRO GLU LYS VAL TYR +SEQRES 20 B 293 GLU LEU MET ARG ALA CYS TRP GLN TRP ASN PRO SER ASP +SEQRES 21 B 293 ARG PRO SER PHE ALA GLU ILE HIS GLN ALA PHE GLU THR +SEQRES 22 B 293 MET PHE GLN GLU SER SER ILE SER ASP GLU VAL GLU LYS +SEQRES 23 B 293 GLU LEU GLY LYS ARG GLY THR +HET CL A 1 1 +HET CL A 2 1 +HET CL A 4 1 +HET CL A 5 1 +HET STI A 201 37 +HET CL B 3 1 +HET CL B 6 1 +HET STI B 202 37 +HETNAM CL CHLORIDE ION +HETNAM STI 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4- +HETNAM 2 STI PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE +HETSYN STI STI-571; IMATINIB +FORMUL 3 CL 6(CL 1-) +FORMUL 7 STI 2(C29 H31 N7 O) +FORMUL 11 HOH *172(H2 O) +HELIX 1 1 GLU A 238 THR A 240 5 3 +HELIX 2 2 GLY A 249 GLN A 252 5 4 +HELIX 3 3 LYS A 263 SER A 265 5 3 +HELIX 4 4 GLU A 279 LYS A 291 1 13 +HELIX 5 5 ASN A 322 CYS A 330 1 9 +HELIX 6 6 SER A 336 LYS A 357 1 22 +HELIX 7 7 ALA A 365 ARG A 367 5 3 +HELIX 8 8 GLU A 373 HIS A 375 5 3 +HELIX 9 9 PRO A 402 THR A 406 5 5 +HELIX 10 10 ALA A 407 ASN A 414 1 8 +HELIX 11 11 SER A 417 THR A 434 1 18 +HELIX 12 12 ASP A 444 SER A 446 5 3 +HELIX 13 13 GLN A 447 LYS A 454 1 8 +HELIX 14 14 PRO A 465 TRP A 476 1 12 +HELIX 15 15 ASN A 479 ARG A 483 5 5 +HELIX 16 16 SER A 485 GLN A 498 1 14 +HELIX 17 17 GLU B 238 THR B 240 5 3 +HELIX 18 18 GLY B 249 GLN B 252 5 4 +HELIX 19 19 LYS B 263 SER B 265 5 3 +HELIX 20 20 GLU B 279 LYS B 291 1 13 +HELIX 21 21 ASN B 322 CYS B 330 1 9 +HELIX 22 22 SER B 336 LYS B 357 1 22 +HELIX 23 23 ALA B 365 ARG B 367 5 3 +HELIX 24 24 GLU B 373 HIS B 375 5 3 +HELIX 25 25 GLY B 383 LEU B 387 5 5 +HELIX 26 26 PRO B 402 THR B 406 5 5 +HELIX 27 27 ALA B 407 ASN B 414 1 8 +HELIX 28 28 SER B 417 THR B 434 1 18 +HELIX 29 29 ASP B 444 SER B 446 5 3 +HELIX 30 30 GLN B 447 LYS B 454 1 8 +HELIX 31 31 PRO B 465 TRP B 476 1 12 +HELIX 32 32 ASN B 479 ARG B 483 5 5 +HELIX 33 33 SER B 485 MET B 496 1 12 +SHEET 1 A 5 ILE A 242 LYS A 247 0 +SHEET 2 A 5 VAL A 256 TRP A 261 -1 N GLU A 258 O HIS A 246 +SHEET 3 A 5 LEU A 266 THR A 272 -1 O LEU A 266 N TRP A 261 +SHEET 4 A 5 TYR A 312 GLU A 316 -1 O ILE A 313 N LYS A 271 +SHEET 5 A 5 LEU A 301 CYS A 305 -1 N LEU A 302 O ILE A 314 +SHEET 1 B 2 CYS A 369 VAL A 371 0 +SHEET 2 B 2 VAL A 377 VAL A 379 -1 O LYS A 378 N LEU A 370 +SHEET 1 C 2 THR A 394 HIS A 396 0 +SHEET 2 C 2 ALA A 399 PHE A 401 -1 O ALA A 399 N HIS A 396 +SHEET 1 D 5 ILE B 242 LYS B 247 0 +SHEET 2 D 5 VAL B 256 TRP B 261 -1 N GLU B 258 O HIS B 246 +SHEET 3 D 5 LEU B 266 THR B 272 -1 O LEU B 266 N TRP B 261 +SHEET 4 D 5 TYR B 312 GLU B 316 -1 O ILE B 313 N LYS B 271 +SHEET 5 D 5 LEU B 301 CYS B 305 -1 N LEU B 302 O ILE B 314 +SHEET 1 E 2 CYS B 369 VAL B 371 0 +SHEET 2 E 2 VAL B 377 VAL B 379 -1 O LYS B 378 N LEU B 370 +SHEET 1 F 2 THR B 394 HIS B 396 0 +SHEET 2 F 2 ALA B 399 PHE B 401 -1 O ALA B 399 N HIS B 396 +CISPEP 1 PRO A 309 PRO A 310 0 0.03 +CISPEP 2 PRO B 309 PRO B 310 0 0.04 +SITE 1 AC1 1 HOH A 60 +SITE 1 AC2 2 STI A 201 ILE A 360 +SITE 1 AC3 3 HOH B 151 STI B 202 ILE B 360 +SITE 1 AC4 2 THR A 319 GLY A 372 +SITE 1 AC5 4 STI A 201 TYR A 253 GLY A 321 ASN A 322 +SITE 1 AC6 4 STI B 202 TYR B 253 GLY B 321 ASN B 322 +SITE 1 AC7 20 CL A 2 CL A 5 HOH A 75 LEU A 248 +SITE 2 AC7 20 TYR A 253 ALA A 269 LYS A 271 GLU A 286 +SITE 3 AC7 20 MET A 290 VAL A 299 ILE A 313 THR A 315 +SITE 4 AC7 20 PHE A 317 MET A 318 ILE A 360 HIS A 361 +SITE 5 AC7 20 ARG A 362 ALA A 380 ASP A 381 PHE A 382 +SITE 1 AC8 19 CL B 3 CL B 6 HOH B 165 LEU B 248 +SITE 2 AC8 19 TYR B 253 VAL B 256 ALA B 269 LYS B 271 +SITE 3 AC8 19 GLU B 286 MET B 290 VAL B 299 ILE B 313 +SITE 4 AC8 19 THR B 315 MET B 318 ILE B 360 HIS B 361 +SITE 5 AC8 19 ALA B 380 ASP B 381 PHE B 382 +CRYST1 112.885 147.371 153.442 90.00 90.00 90.00 F 2 2 2 32 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.008859 0.000000 0.000000 0.00000 +SCALE2 0.000000 0.006786 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.006517 0.00000 +ATOM 1 N MET A 225 19.353 41.547 -3.887 1.00 72.26 N +ATOM 2 CA MET A 225 20.513 40.939 -4.592 1.00 70.80 C +ATOM 3 C MET A 225 20.150 39.658 -5.355 1.00 69.53 C +ATOM 4 O MET A 225 19.053 39.551 -5.903 1.00 68.86 O +ATOM 5 CB MET A 225 21.642 40.678 -3.592 1.00 71.61 C +ATOM 6 CG MET A 225 21.233 39.903 -2.360 1.00 72.49 C +ATOM 7 SD MET A 225 22.533 39.928 -1.113 1.00 76.72 S +ATOM 8 CE MET A 225 23.771 38.881 -1.885 1.00 71.61 C +ATOM 9 N ASP A 226 21.068 38.694 -5.390 1.00 67.35 N +ATOM 10 CA ASP A 226 20.856 37.440 -6.117 1.00 64.67 C +ATOM 11 C ASP A 226 20.124 36.371 -5.299 1.00 60.64 C +ATOM 12 O ASP A 226 20.680 35.818 -4.351 1.00 61.28 O +ATOM 13 CB ASP A 226 22.208 36.890 -6.586 1.00 68.19 C +ATOM 14 CG ASP A 226 22.073 35.863 -7.699 1.00 72.67 C +ATOM 15 OD1 ASP A 226 21.305 34.890 -7.529 1.00 73.52 O +ATOM 16 OD2 ASP A 226 22.740 36.029 -8.744 1.00 72.20 O +ATOM 17 N PRO A 227 18.872 36.052 -5.675 1.00 58.29 N +ATOM 18 CA PRO A 227 18.030 35.054 -4.999 1.00 56.77 C +ATOM 19 C PRO A 227 18.675 33.677 -4.831 1.00 58.61 C +ATOM 20 O PRO A 227 18.457 32.997 -3.824 1.00 57.58 O +ATOM 21 CB PRO A 227 16.788 34.997 -5.884 1.00 55.32 C +ATOM 22 CG PRO A 227 16.706 36.383 -6.436 1.00 57.16 C +ATOM 23 CD PRO A 227 18.142 36.670 -6.796 1.00 56.73 C +ATOM 24 N SER A 228 19.458 33.264 -5.821 1.00 59.84 N +ATOM 25 CA SER A 228 20.130 31.969 -5.773 1.00 62.95 C +ATOM 26 C SER A 228 21.464 32.040 -5.031 1.00 65.13 C +ATOM 27 O SER A 228 22.045 31.008 -4.688 1.00 66.16 O +ATOM 28 CB SER A 228 20.364 31.447 -7.191 1.00 62.28 C +ATOM 29 OG SER A 228 21.180 32.341 -7.928 1.00 62.06 O +ATOM 30 N SER A 229 21.950 33.253 -4.788 1.00 64.53 N +ATOM 31 CA SER A 229 23.216 33.437 -4.085 1.00 65.76 C +ATOM 32 C SER A 229 23.144 32.931 -2.643 1.00 66.52 C +ATOM 33 O SER A 229 22.121 33.077 -1.970 1.00 64.82 O +ATOM 34 CB SER A 229 23.619 34.914 -4.089 1.00 66.77 C +ATOM 35 OG SER A 229 24.716 35.143 -3.220 1.00 65.78 O +ATOM 36 N PRO A 230 24.239 32.327 -2.153 1.00 66.91 N +ATOM 37 CA PRO A 230 24.317 31.793 -0.789 1.00 67.68 C +ATOM 38 C PRO A 230 24.165 32.880 0.276 1.00 67.83 C +ATOM 39 O PRO A 230 23.752 32.609 1.406 1.00 68.00 O +ATOM 40 CB PRO A 230 25.702 31.145 -0.751 1.00 67.73 C +ATOM 41 CG PRO A 230 25.937 30.756 -2.179 1.00 67.84 C +ATOM 42 CD PRO A 230 25.446 31.972 -2.919 1.00 66.34 C +ATOM 43 N ASN A 231 24.500 34.111 -0.097 1.00 66.49 N +ATOM 44 CA ASN A 231 24.419 35.239 0.819 1.00 66.05 C +ATOM 45 C ASN A 231 23.237 36.164 0.516 1.00 61.13 C +ATOM 46 O ASN A 231 23.340 37.382 0.668 1.00 58.71 O +ATOM 47 CB ASN A 231 25.726 36.040 0.765 1.00 70.48 C +ATOM 48 CG ASN A 231 26.937 35.211 1.171 1.00 74.28 C +ATOM 49 OD1 ASN A 231 26.811 34.220 1.891 1.00 78.33 O +ATOM 50 ND2 ASN A 231 28.117 35.619 0.716 1.00 74.69 N +ATOM 51 N TYR A 232 22.114 35.591 0.092 1.00 55.17 N +ATOM 52 CA TYR A 232 20.945 36.405 -0.222 1.00 50.20 C +ATOM 53 C TYR A 232 20.279 36.969 1.023 1.00 48.25 C +ATOM 54 O TYR A 232 19.972 36.238 1.966 1.00 52.46 O +ATOM 55 CB TYR A 232 19.891 35.609 -0.999 1.00 46.52 C +ATOM 56 CG TYR A 232 18.676 36.451 -1.350 1.00 43.11 C +ATOM 57 CD1 TYR A 232 18.715 37.355 -2.411 1.00 40.63 C +ATOM 58 CD2 TYR A 232 17.508 36.387 -0.583 1.00 41.66 C +ATOM 59 CE1 TYR A 232 17.625 38.180 -2.700 1.00 42.95 C +ATOM 60 CE2 TYR A 232 16.408 37.210 -0.866 1.00 37.96 C +ATOM 61 CZ TYR A 232 16.478 38.102 -1.921 1.00 39.57 C +ATOM 62 OH TYR A 232 15.420 38.937 -2.194 1.00 40.75 O +ATOM 63 N ASP A 233 20.052 38.274 1.014 1.00 47.94 N +ATOM 64 CA ASP A 233 19.381 38.942 2.122 1.00 46.79 C +ATOM 65 C ASP A 233 18.290 39.792 1.493 1.00 43.90 C +ATOM 66 O ASP A 233 18.582 40.735 0.758 1.00 40.31 O +ATOM 67 CB ASP A 233 20.348 39.842 2.890 1.00 45.63 C +ATOM 68 CG ASP A 233 19.691 40.506 4.088 1.00 51.78 C +ATOM 69 OD1 ASP A 233 18.531 40.963 3.964 1.00 51.54 O +ATOM 70 OD2 ASP A 233 20.334 40.578 5.154 1.00 53.30 O +ATOM 71 N LYS A 234 17.035 39.457 1.771 1.00 43.11 N +ATOM 72 CA LYS A 234 15.920 40.207 1.200 1.00 42.42 C +ATOM 73 C LYS A 234 15.946 41.692 1.557 1.00 41.40 C +ATOM 74 O LYS A 234 15.401 42.516 0.827 1.00 39.09 O +ATOM 75 CB LYS A 234 14.591 39.605 1.655 1.00 44.79 C +ATOM 76 CG LYS A 234 14.361 39.636 3.156 1.00 47.10 C +ATOM 77 CD LYS A 234 13.049 38.955 3.503 1.00 49.82 C +ATOM 78 CE LYS A 234 12.810 38.914 5.001 1.00 51.10 C +ATOM 79 NZ LYS A 234 11.495 38.291 5.325 1.00 49.81 N +ATOM 80 N TRP A 235 16.592 42.034 2.667 1.00 41.10 N +ATOM 81 CA TRP A 235 16.640 43.427 3.107 1.00 40.69 C +ATOM 82 C TRP A 235 17.655 44.315 2.389 1.00 42.11 C +ATOM 83 O TRP A 235 17.481 45.535 2.351 1.00 37.17 O +ATOM 84 CB TRP A 235 16.880 43.493 4.619 1.00 37.95 C +ATOM 85 CG TRP A 235 15.806 42.843 5.431 1.00 34.37 C +ATOM 86 CD1 TRP A 235 15.874 41.639 6.063 1.00 35.72 C +ATOM 87 CD2 TRP A 235 14.500 43.373 5.715 1.00 36.45 C +ATOM 88 NE1 TRP A 235 14.695 41.384 6.729 1.00 38.24 N +ATOM 89 CE2 TRP A 235 13.837 42.433 6.532 1.00 36.83 C +ATOM 90 CE3 TRP A 235 13.830 44.552 5.359 1.00 36.90 C +ATOM 91 CZ2 TRP A 235 12.532 42.634 7.002 1.00 41.62 C +ATOM 92 CZ3 TRP A 235 12.530 44.753 5.827 1.00 40.27 C +ATOM 93 CH2 TRP A 235 11.899 43.798 6.639 1.00 39.51 C +ATOM 94 N GLU A 236 18.707 43.717 1.823 1.00 42.48 N +ATOM 95 CA GLU A 236 19.727 44.490 1.105 1.00 43.64 C +ATOM 96 C GLU A 236 19.069 45.163 -0.085 1.00 46.41 C +ATOM 97 O GLU A 236 18.358 44.515 -0.850 1.00 48.57 O +ATOM 98 CB GLU A 236 20.851 43.584 0.591 1.00 43.17 C +ATOM 99 CG GLU A 236 21.694 42.896 1.661 1.00 45.14 C +ATOM 100 CD GLU A 236 22.663 43.840 2.360 1.00 49.61 C +ATOM 101 OE1 GLU A 236 22.934 44.935 1.822 1.00 47.60 O +ATOM 102 OE2 GLU A 236 23.164 43.475 3.444 1.00 51.07 O +ATOM 103 N MET A 237 19.307 46.457 -0.256 1.00 47.75 N +ATOM 104 CA MET A 237 18.703 47.170 -1.371 1.00 52.18 C +ATOM 105 C MET A 237 19.714 48.004 -2.134 1.00 54.03 C +ATOM 106 O MET A 237 20.879 48.088 -1.750 1.00 53.01 O +ATOM 107 CB MET A 237 17.558 48.059 -0.878 1.00 54.76 C +ATOM 108 CG MET A 237 17.972 49.157 0.078 1.00 62.51 C +ATOM 109 SD MET A 237 16.541 50.098 0.656 1.00 74.54 S +ATOM 110 CE MET A 237 16.249 51.167 -0.758 1.00 74.99 C +ATOM 111 N GLU A 238 19.253 48.628 -3.212 1.00 56.90 N +ATOM 112 CA GLU A 238 20.119 49.442 -4.044 1.00 61.36 C +ATOM 113 C GLU A 238 20.302 50.859 -3.518 1.00 62.92 C +ATOM 114 O GLU A 238 19.362 51.655 -3.466 1.00 61.45 O +ATOM 115 CB GLU A 238 19.585 49.482 -5.478 1.00 66.85 C +ATOM 116 CG GLU A 238 20.532 50.153 -6.466 1.00 75.99 C +ATOM 117 CD GLU A 238 21.924 49.537 -6.452 1.00 80.91 C +ATOM 118 OE1 GLU A 238 22.046 48.327 -6.750 1.00 83.02 O +ATOM 119 OE2 GLU A 238 22.896 50.262 -6.140 1.00 81.87 O +ATOM 120 N ARG A 239 21.535 51.153 -3.127 1.00 62.34 N +ATOM 121 CA ARG A 239 21.921 52.456 -2.608 1.00 65.10 C +ATOM 122 C ARG A 239 21.474 53.576 -3.548 1.00 64.58 C +ATOM 123 O ARG A 239 21.137 54.671 -3.108 1.00 65.28 O +ATOM 124 CB ARG A 239 23.441 52.481 -2.451 1.00 66.01 C +ATOM 125 CG ARG A 239 24.041 53.792 -1.995 1.00 70.00 C +ATOM 126 CD ARG A 239 25.554 53.725 -2.155 1.00 69.64 C +ATOM 127 NE ARG A 239 26.097 52.511 -1.550 1.00 67.44 N +ATOM 128 CZ ARG A 239 26.127 52.277 -0.243 1.00 65.26 C +ATOM 129 NH1 ARG A 239 25.647 53.179 0.601 1.00 65.80 N +ATOM 130 NH2 ARG A 239 26.621 51.138 0.220 1.00 60.60 N +ATOM 131 N THR A 240 21.471 53.281 -4.844 1.00 66.16 N +ATOM 132 CA THR A 240 21.093 54.241 -5.880 1.00 67.57 C +ATOM 133 C THR A 240 19.599 54.568 -5.913 1.00 68.41 C +ATOM 134 O THR A 240 19.195 55.617 -6.420 1.00 66.88 O +ATOM 135 CB THR A 240 21.515 53.719 -7.273 1.00 68.91 C +ATOM 136 OG1 THR A 240 22.941 53.584 -7.319 1.00 70.67 O +ATOM 137 CG2 THR A 240 21.063 54.672 -8.368 1.00 68.90 C +ATOM 138 N ASP A 241 18.786 53.664 -5.376 1.00 69.49 N +ATOM 139 CA ASP A 241 17.336 53.846 -5.339 1.00 70.98 C +ATOM 140 C ASP A 241 16.904 54.991 -4.426 1.00 69.74 C +ATOM 141 O ASP A 241 15.808 55.536 -4.578 1.00 67.19 O +ATOM 142 CB ASP A 241 16.661 52.554 -4.868 1.00 73.87 C +ATOM 143 CG ASP A 241 16.602 51.496 -5.950 1.00 76.31 C +ATOM 144 OD1 ASP A 241 17.617 51.293 -6.649 1.00 77.15 O +ATOM 145 OD2 ASP A 241 15.537 50.859 -6.093 1.00 78.66 O +ATOM 146 N ILE A 242 17.769 55.355 -3.484 1.00 68.06 N +ATOM 147 CA ILE A 242 17.455 56.411 -2.528 1.00 66.29 C +ATOM 148 C ILE A 242 18.124 57.754 -2.799 1.00 66.55 C +ATOM 149 O ILE A 242 19.335 57.833 -2.996 1.00 66.04 O +ATOM 150 CB ILE A 242 17.825 55.972 -1.100 1.00 64.69 C +ATOM 151 CG1 ILE A 242 17.131 54.648 -0.771 1.00 64.66 C +ATOM 152 CG2 ILE A 242 17.426 57.053 -0.106 1.00 63.57 C +ATOM 153 CD1 ILE A 242 17.619 53.992 0.502 1.00 64.35 C +ATOM 154 N THR A 243 17.317 58.810 -2.800 1.00 67.08 N +ATOM 155 CA THR A 243 17.809 60.165 -3.014 1.00 69.10 C +ATOM 156 C THR A 243 18.158 60.736 -1.640 1.00 67.42 C +ATOM 157 O THR A 243 17.268 61.072 -0.861 1.00 65.86 O +ATOM 158 CB THR A 243 16.723 61.058 -3.663 1.00 71.41 C +ATOM 159 OG1 THR A 243 16.308 60.484 -4.907 1.00 74.68 O +ATOM 160 CG2 THR A 243 17.256 62.463 -3.912 1.00 70.63 C +ATOM 161 N MET A 244 19.450 60.829 -1.339 1.00 65.51 N +ATOM 162 CA MET A 244 19.892 61.352 -0.052 1.00 64.75 C +ATOM 163 C MET A 244 19.727 62.859 0.027 1.00 67.28 C +ATOM 164 O MET A 244 19.970 63.570 -0.948 1.00 69.88 O +ATOM 165 CB MET A 244 21.354 60.987 0.193 1.00 63.74 C +ATOM 166 CG MET A 244 21.583 59.509 0.383 1.00 61.24 C +ATOM 167 SD MET A 244 20.719 58.905 1.832 1.00 60.02 S +ATOM 168 CE MET A 244 21.935 59.234 3.098 1.00 55.60 C +ATOM 169 N LYS A 245 19.315 63.343 1.194 1.00 67.03 N +ATOM 170 CA LYS A 245 19.118 64.771 1.391 1.00 66.74 C +ATOM 171 C LYS A 245 19.884 65.301 2.594 1.00 67.96 C +ATOM 172 O LYS A 245 20.999 64.863 2.881 1.00 70.43 O +ATOM 173 CB LYS A 245 17.628 65.083 1.547 1.00 66.80 C +ATOM 174 CG LYS A 245 16.826 64.930 0.268 1.00 68.53 C +ATOM 175 CD LYS A 245 15.367 65.268 0.504 1.00 69.73 C +ATOM 176 CE LYS A 245 14.579 65.259 -0.793 1.00 72.27 C +ATOM 177 NZ LYS A 245 13.135 65.564 -0.567 1.00 71.73 N +ATOM 178 N HIS A 246 19.272 66.250 3.293 1.00 67.70 N +ATOM 179 CA HIS A 246 19.872 66.876 4.463 1.00 68.02 C +ATOM 180 C HIS A 246 19.775 65.984 5.697 1.00 65.33 C +ATOM 181 O HIS A 246 19.018 65.011 5.713 1.00 63.74 O +ATOM 182 CB HIS A 246 19.161 68.198 4.740 1.00 71.81 C +ATOM 183 CG HIS A 246 17.680 68.052 4.906 1.00 75.53 C +ATOM 184 ND1 HIS A 246 17.115 67.376 5.966 1.00 77.95 N +ATOM 185 CD2 HIS A 246 16.651 68.455 4.124 1.00 78.35 C +ATOM 186 CE1 HIS A 246 15.800 67.369 5.829 1.00 78.87 C +ATOM 187 NE2 HIS A 246 15.493 68.016 4.720 1.00 79.65 N +ATOM 188 N LYS A 247 20.543 66.322 6.729 1.00 61.87 N +ATOM 189 CA LYS A 247 20.520 65.560 7.967 1.00 61.27 C +ATOM 190 C LYS A 247 19.179 65.815 8.632 1.00 60.24 C +ATOM 191 O LYS A 247 18.655 66.930 8.591 1.00 59.45 O +ATOM 192 CB LYS A 247 21.648 65.995 8.900 1.00 60.33 C +ATOM 193 CG LYS A 247 23.024 65.863 8.293 1.00 62.87 C +ATOM 194 CD LYS A 247 24.113 66.062 9.330 1.00 65.68 C +ATOM 195 CE LYS A 247 24.133 64.927 10.338 1.00 63.92 C +ATOM 196 NZ LYS A 247 25.293 65.045 11.268 1.00 66.62 N +ATOM 197 N LEU A 248 18.630 64.773 9.241 1.00 58.44 N +ATOM 198 CA LEU A 248 17.339 64.855 9.904 1.00 59.05 C +ATOM 199 C LEU A 248 17.397 65.620 11.223 1.00 59.56 C +ATOM 200 O LEU A 248 18.366 65.514 11.977 1.00 57.75 O +ATOM 201 CB LEU A 248 16.810 63.440 10.144 1.00 57.98 C +ATOM 202 CG LEU A 248 15.358 63.175 9.766 1.00 55.91 C +ATOM 203 CD1 LEU A 248 15.080 63.715 8.372 1.00 58.37 C +ATOM 204 CD2 LEU A 248 15.095 61.687 9.832 1.00 56.69 C +ATOM 205 N GLY A 249 16.350 66.397 11.488 1.00 62.66 N +ATOM 206 CA GLY A 249 16.273 67.164 12.720 1.00 66.14 C +ATOM 207 C GLY A 249 17.475 68.037 13.027 1.00 67.59 C +ATOM 208 O GLY A 249 17.993 68.019 14.144 1.00 68.56 O +ATOM 209 N GLY A 250 17.921 68.803 12.039 1.00 68.57 N +ATOM 210 CA GLY A 250 19.059 69.681 12.244 1.00 70.68 C +ATOM 211 C GLY A 250 20.260 69.044 12.920 1.00 69.94 C +ATOM 212 O GLY A 250 21.095 69.747 13.487 1.00 71.58 O +ATOM 213 N GLY A 251 20.346 67.717 12.877 1.00 69.04 N +ATOM 214 CA GLY A 251 21.479 67.032 13.477 1.00 63.27 C +ATOM 215 C GLY A 251 21.268 66.389 14.837 1.00 61.05 C +ATOM 216 O GLY A 251 22.176 65.729 15.346 1.00 58.23 O +ATOM 217 N GLN A 252 20.087 66.561 15.426 1.00 59.44 N +ATOM 218 CA GLN A 252 19.812 65.988 16.744 1.00 57.04 C +ATOM 219 C GLN A 252 19.933 64.465 16.802 1.00 56.80 C +ATOM 220 O GLN A 252 20.284 63.907 17.844 1.00 56.74 O +ATOM 221 CB GLN A 252 18.423 66.423 17.243 1.00 60.05 C +ATOM 222 CG GLN A 252 17.242 65.992 16.376 1.00 62.36 C +ATOM 223 CD GLN A 252 15.912 66.572 16.857 1.00 64.34 C +ATOM 224 OE1 GLN A 252 15.520 66.394 18.011 1.00 66.78 O +ATOM 225 NE2 GLN A 252 15.213 67.266 15.966 1.00 61.51 N +ATOM 226 N TYR A 253 19.661 63.788 15.690 1.00 53.49 N +ATOM 227 CA TYR A 253 19.748 62.330 15.674 1.00 51.78 C +ATOM 228 C TYR A 253 21.114 61.802 15.262 1.00 51.62 C +ATOM 229 O TYR A 253 21.383 60.608 15.365 1.00 51.47 O +ATOM 230 CB TYR A 253 18.684 61.745 14.751 1.00 48.86 C +ATOM 231 CG TYR A 253 17.281 62.111 15.155 1.00 43.94 C +ATOM 232 CD1 TYR A 253 16.601 63.148 14.524 1.00 40.72 C +ATOM 233 CD2 TYR A 253 16.635 61.427 16.183 1.00 47.98 C +ATOM 234 CE1 TYR A 253 15.306 63.495 14.905 1.00 43.42 C +ATOM 235 CE2 TYR A 253 15.344 61.767 16.574 1.00 46.35 C +ATOM 236 CZ TYR A 253 14.687 62.799 15.932 1.00 42.81 C +ATOM 237 OH TYR A 253 13.413 63.123 16.323 1.00 48.55 O +ATOM 238 N GLY A 254 21.979 62.693 14.799 1.00 53.67 N +ATOM 239 CA GLY A 254 23.299 62.270 14.381 1.00 51.94 C +ATOM 240 C GLY A 254 23.345 62.070 12.881 1.00 52.22 C +ATOM 241 O GLY A 254 22.706 62.813 12.134 1.00 51.39 O +ATOM 242 N GLU A 255 24.092 61.061 12.442 1.00 49.22 N +ATOM 243 CA GLU A 255 24.235 60.763 11.023 1.00 49.63 C +ATOM 244 C GLU A 255 22.998 60.105 10.418 1.00 48.16 C +ATOM 245 O GLU A 255 23.084 59.029 9.822 1.00 46.17 O +ATOM 246 CB GLU A 255 25.452 59.864 10.795 1.00 53.08 C +ATOM 247 CG GLU A 255 26.788 60.532 11.102 1.00 61.51 C +ATOM 248 CD GLU A 255 27.021 61.787 10.274 1.00 66.06 C +ATOM 249 OE1 GLU A 255 26.880 61.719 9.033 1.00 66.28 O +ATOM 250 OE2 GLU A 255 27.350 62.840 10.863 1.00 69.86 O +ATOM 251 N VAL A 256 21.848 60.752 10.578 1.00 43.76 N +ATOM 252 CA VAL A 256 20.605 60.238 10.024 1.00 41.44 C +ATOM 253 C VAL A 256 20.060 61.267 9.052 1.00 42.09 C +ATOM 254 O VAL A 256 19.820 62.413 9.423 1.00 43.44 O +ATOM 255 CB VAL A 256 19.565 59.973 11.120 1.00 40.49 C +ATOM 256 CG1 VAL A 256 18.282 59.446 10.489 1.00 36.23 C +ATOM 257 CG2 VAL A 256 20.120 58.966 12.128 1.00 35.69 C +ATOM 258 N TYR A 257 19.860 60.853 7.807 1.00 42.35 N +ATOM 259 CA TYR A 257 19.384 61.766 6.779 1.00 44.91 C +ATOM 260 C TYR A 257 17.996 61.465 6.244 1.00 45.99 C +ATOM 261 O TYR A 257 17.520 60.329 6.295 1.00 45.15 O +ATOM 262 CB TYR A 257 20.361 61.774 5.592 1.00 43.74 C +ATOM 263 CG TYR A 257 21.788 62.118 5.956 1.00 44.36 C +ATOM 264 CD1 TYR A 257 22.560 61.253 6.733 1.00 44.33 C +ATOM 265 CD2 TYR A 257 22.361 63.316 5.539 1.00 46.49 C +ATOM 266 CE1 TYR A 257 23.862 61.575 7.091 1.00 49.80 C +ATOM 267 CE2 TYR A 257 23.667 63.652 5.891 1.00 49.96 C +ATOM 268 CZ TYR A 257 24.410 62.780 6.670 1.00 53.56 C +ATOM 269 OH TYR A 257 25.687 63.126 7.056 1.00 56.22 O +ATOM 270 N GLU A 258 17.349 62.505 5.735 1.00 45.89 N +ATOM 271 CA GLU A 258 16.044 62.345 5.124 1.00 50.20 C +ATOM 272 C GLU A 258 16.372 61.849 3.723 1.00 49.54 C +ATOM 273 O GLU A 258 17.372 62.259 3.133 1.00 48.75 O +ATOM 274 CB GLU A 258 15.304 63.681 5.030 1.00 51.89 C +ATOM 275 CG GLU A 258 13.954 63.575 4.327 1.00 57.93 C +ATOM 276 CD GLU A 258 13.162 64.871 4.364 1.00 64.20 C +ATOM 277 OE1 GLU A 258 13.608 65.863 3.751 1.00 67.16 O +ATOM 278 OE2 GLU A 258 12.091 64.895 5.011 1.00 66.36 O +ATOM 279 N GLY A 259 15.542 60.964 3.194 1.00 50.84 N +ATOM 280 CA GLY A 259 15.795 60.449 1.867 1.00 53.70 C +ATOM 281 C GLY A 259 14.512 60.212 1.109 1.00 55.83 C +ATOM 282 O GLY A 259 13.420 60.274 1.676 1.00 56.23 O +ATOM 283 N VAL A 260 14.643 59.947 -0.184 1.00 57.31 N +ATOM 284 CA VAL A 260 13.485 59.689 -1.020 1.00 58.97 C +ATOM 285 C VAL A 260 13.676 58.371 -1.750 1.00 60.14 C +ATOM 286 O VAL A 260 14.567 58.242 -2.588 1.00 59.15 O +ATOM 287 CB VAL A 260 13.285 60.802 -2.064 1.00 59.26 C +ATOM 288 CG1 VAL A 260 11.971 60.590 -2.798 1.00 59.57 C +ATOM 289 CG2 VAL A 260 13.308 62.162 -1.385 1.00 60.54 C +ATOM 290 N TRP A 261 12.853 57.384 -1.419 1.00 60.87 N +ATOM 291 CA TRP A 261 12.949 56.099 -2.085 1.00 62.33 C +ATOM 292 C TRP A 261 12.224 56.267 -3.418 1.00 64.33 C +ATOM 293 O TRP A 261 11.043 55.944 -3.544 1.00 62.30 O +ATOM 294 CB TRP A 261 12.292 55.003 -1.243 1.00 62.64 C +ATOM 295 CG TRP A 261 12.711 53.618 -1.644 1.00 64.19 C +ATOM 296 CD1 TRP A 261 13.631 53.284 -2.598 1.00 64.54 C +ATOM 297 CD2 TRP A 261 12.244 52.382 -1.088 1.00 66.16 C +ATOM 298 NE1 TRP A 261 13.766 51.920 -2.670 1.00 65.70 N +ATOM 299 CE2 TRP A 261 12.927 51.340 -1.756 1.00 67.43 C +ATOM 300 CE3 TRP A 261 11.315 52.053 -0.093 1.00 66.69 C +ATOM 301 CZ2 TRP A 261 12.712 49.991 -1.458 1.00 67.72 C +ATOM 302 CZ3 TRP A 261 11.099 50.711 0.204 1.00 67.55 C +ATOM 303 CH2 TRP A 261 11.795 49.697 -0.479 1.00 68.98 C +ATOM 304 N LYS A 262 12.953 56.799 -4.396 1.00 67.46 N +ATOM 305 CA LYS A 262 12.450 57.065 -5.743 1.00 70.51 C +ATOM 306 C LYS A 262 11.337 56.135 -6.213 1.00 71.37 C +ATOM 307 O LYS A 262 10.214 56.571 -6.470 1.00 70.06 O +ATOM 308 CB LYS A 262 13.600 56.991 -6.748 1.00 72.64 C +ATOM 309 CG LYS A 262 14.771 57.914 -6.458 1.00 74.62 C +ATOM 310 CD LYS A 262 15.854 57.726 -7.509 1.00 76.61 C +ATOM 311 CE LYS A 262 17.029 58.656 -7.290 1.00 79.97 C +ATOM 312 NZ LYS A 262 18.071 58.461 -8.339 1.00 81.88 N +ATOM 313 N LYS A 263 11.672 54.855 -6.330 1.00 73.06 N +ATOM 314 CA LYS A 263 10.748 53.823 -6.789 1.00 75.17 C +ATOM 315 C LYS A 263 9.336 53.918 -6.208 1.00 75.34 C +ATOM 316 O LYS A 263 8.398 53.340 -6.755 1.00 75.96 O +ATOM 317 CB LYS A 263 11.337 52.444 -6.481 1.00 76.94 C +ATOM 318 CG LYS A 263 10.609 51.282 -7.132 1.00 78.96 C +ATOM 319 CD LYS A 263 11.225 49.950 -6.724 1.00 81.00 C +ATOM 320 CE LYS A 263 12.696 49.868 -7.100 1.00 82.63 C +ATOM 321 NZ LYS A 263 13.313 48.592 -6.636 1.00 83.28 N +ATOM 322 N TYR A 264 9.178 54.639 -5.102 1.00 74.56 N +ATOM 323 CA TYR A 264 7.865 54.775 -4.486 1.00 72.45 C +ATOM 324 C TYR A 264 7.554 56.210 -4.067 1.00 70.42 C +ATOM 325 O TYR A 264 6.547 56.465 -3.403 1.00 67.50 O +ATOM 326 CB TYR A 264 7.758 53.846 -3.274 1.00 76.26 C +ATOM 327 CG TYR A 264 8.166 52.418 -3.566 1.00 79.90 C +ATOM 328 CD1 TYR A 264 9.509 52.042 -3.564 1.00 82.83 C +ATOM 329 CD2 TYR A 264 7.214 51.450 -3.881 1.00 81.18 C +ATOM 330 CE1 TYR A 264 9.895 50.738 -3.870 1.00 83.07 C +ATOM 331 CE2 TYR A 264 7.588 50.143 -4.191 1.00 82.35 C +ATOM 332 CZ TYR A 264 8.930 49.794 -4.184 1.00 83.29 C +ATOM 333 OH TYR A 264 9.310 48.507 -4.499 1.00 84.17 O +ATOM 334 N SER A 265 8.411 57.146 -4.466 1.00 68.74 N +ATOM 335 CA SER A 265 8.224 58.553 -4.118 1.00 67.51 C +ATOM 336 C SER A 265 7.960 58.633 -2.618 1.00 64.13 C +ATOM 337 O SER A 265 7.168 59.452 -2.153 1.00 65.76 O +ATOM 338 CB SER A 265 7.032 59.133 -4.882 1.00 69.42 C +ATOM 339 OG SER A 265 7.171 58.920 -6.275 1.00 72.47 O +ATOM 340 N LEU A 266 8.639 57.770 -1.872 1.00 58.48 N +ATOM 341 CA LEU A 266 8.480 57.695 -0.429 1.00 53.91 C +ATOM 342 C LEU A 266 9.614 58.376 0.328 1.00 51.41 C +ATOM 343 O LEU A 266 10.793 58.124 0.062 1.00 50.02 O +ATOM 344 CB LEU A 266 8.401 56.228 -0.006 1.00 51.74 C +ATOM 345 CG LEU A 266 8.126 55.926 1.468 1.00 53.35 C +ATOM 346 CD1 LEU A 266 6.696 56.323 1.812 1.00 50.66 C +ATOM 347 CD2 LEU A 266 8.340 54.444 1.732 1.00 48.73 C +ATOM 348 N THR A 267 9.252 59.247 1.266 1.00 47.07 N +ATOM 349 CA THR A 267 10.247 59.930 2.081 1.00 44.50 C +ATOM 350 C THR A 267 10.635 58.958 3.188 1.00 41.84 C +ATOM 351 O THR A 267 9.771 58.382 3.848 1.00 40.72 O +ATOM 352 CB THR A 267 9.691 61.212 2.708 1.00 45.02 C +ATOM 353 OG1 THR A 267 9.328 62.129 1.672 1.00 46.49 O +ATOM 354 CG2 THR A 267 10.736 61.856 3.606 1.00 40.98 C +ATOM 355 N VAL A 268 11.935 58.779 3.386 1.00 37.58 N +ATOM 356 CA VAL A 268 12.429 57.849 4.387 1.00 36.97 C +ATOM 357 C VAL A 268 13.546 58.467 5.214 1.00 39.82 C +ATOM 358 O VAL A 268 14.052 59.543 4.891 1.00 39.44 O +ATOM 359 CB VAL A 268 12.996 56.566 3.717 1.00 36.94 C +ATOM 360 CG1 VAL A 268 11.950 55.938 2.803 1.00 39.02 C +ATOM 361 CG2 VAL A 268 14.248 56.907 2.925 1.00 33.41 C +ATOM 362 N ALA A 269 13.915 57.776 6.289 1.00 36.76 N +ATOM 363 CA ALA A 269 15.004 58.208 7.156 1.00 35.79 C +ATOM 364 C ALA A 269 16.121 57.206 6.899 1.00 36.85 C +ATOM 365 O ALA A 269 15.887 56.000 6.889 1.00 36.10 O +ATOM 366 CB ALA A 269 14.583 58.157 8.619 1.00 28.49 C +ATOM 367 N VAL A 270 17.332 57.702 6.686 1.00 38.68 N +ATOM 368 CA VAL A 270 18.457 56.827 6.414 1.00 39.33 C +ATOM 369 C VAL A 270 19.606 57.048 7.389 1.00 41.20 C +ATOM 370 O VAL A 270 20.265 58.088 7.367 1.00 39.20 O +ATOM 371 CB VAL A 270 18.978 57.033 4.967 1.00 41.50 C +ATOM 372 CG1 VAL A 270 20.112 56.061 4.671 1.00 44.19 C +ATOM 373 CG2 VAL A 270 17.843 56.838 3.971 1.00 40.59 C +ATOM 374 N LYS A 271 19.832 56.072 8.262 1.00 41.77 N +ATOM 375 CA LYS A 271 20.934 56.165 9.198 1.00 42.80 C +ATOM 376 C LYS A 271 22.155 55.632 8.458 1.00 48.02 C +ATOM 377 O LYS A 271 22.061 54.651 7.716 1.00 44.88 O +ATOM 378 CB LYS A 271 20.684 55.319 10.447 1.00 41.74 C +ATOM 379 CG LYS A 271 21.824 55.414 11.465 1.00 40.61 C +ATOM 380 CD LYS A 271 21.542 54.654 12.745 1.00 39.04 C +ATOM 381 CE LYS A 271 22.647 54.906 13.769 1.00 43.13 C +ATOM 382 NZ LYS A 271 22.429 54.229 15.083 1.00 41.62 N +ATOM 383 N THR A 272 23.292 56.289 8.642 1.00 50.52 N +ATOM 384 CA THR A 272 24.514 55.857 7.990 1.00 57.69 C +ATOM 385 C THR A 272 25.669 55.875 8.981 1.00 61.64 C +ATOM 386 O THR A 272 25.496 56.238 10.146 1.00 57.70 O +ATOM 387 CB THR A 272 24.858 56.749 6.786 1.00 57.28 C +ATOM 388 OG1 THR A 272 26.062 56.271 6.175 1.00 61.89 O +ATOM 389 CG2 THR A 272 25.048 58.195 7.223 1.00 59.11 C +ATOM 390 N LEU A 273 26.848 55.476 8.520 1.00 66.84 N +ATOM 391 CA LEU A 273 28.011 55.436 9.391 1.00 73.77 C +ATOM 392 C LEU A 273 29.035 56.489 8.986 1.00 78.92 C +ATOM 393 O LEU A 273 29.333 56.657 7.801 1.00 78.87 O +ATOM 394 CB LEU A 273 28.630 54.040 9.344 1.00 72.50 C +ATOM 395 CG LEU A 273 29.473 53.616 10.542 1.00 73.48 C +ATOM 396 CD1 LEU A 273 28.739 53.933 11.834 1.00 71.62 C +ATOM 397 CD2 LEU A 273 29.764 52.126 10.441 1.00 74.69 C +ATOM 398 N LYS A 274 29.566 57.202 9.976 1.00 85.21 N +ATOM 399 CA LYS A 274 30.554 58.245 9.722 1.00 91.78 C +ATOM 400 C LYS A 274 31.666 57.720 8.818 1.00 95.68 C +ATOM 401 O LYS A 274 31.762 56.518 8.568 1.00 96.61 O +ATOM 402 CB LYS A 274 31.163 58.753 11.035 1.00 91.97 C +ATOM 403 CG LYS A 274 30.158 59.196 12.091 1.00 92.15 C +ATOM 404 CD LYS A 274 29.666 58.017 12.918 1.00 92.01 C +ATOM 405 CE LYS A 274 28.856 58.484 14.115 1.00 93.16 C +ATOM 406 NZ LYS A 274 28.526 57.359 15.036 1.00 94.89 N +ATOM 407 N GLU A 275 32.507 58.630 8.339 1.00 99.49 N +ATOM 408 CA GLU A 275 33.609 58.280 7.451 1.00103.37 C +ATOM 409 C GLU A 275 34.483 57.161 8.014 1.00104.67 C +ATOM 410 O GLU A 275 35.564 57.412 8.545 1.00104.96 O +ATOM 411 CB GLU A 275 34.466 59.518 7.180 1.00105.54 C +ATOM 412 CG GLU A 275 33.665 60.798 6.942 1.00109.06 C +ATOM 413 CD GLU A 275 32.617 60.658 5.849 1.00110.66 C +ATOM 414 OE1 GLU A 275 31.646 59.893 6.041 1.00112.02 O +ATOM 415 OE2 GLU A 275 32.763 61.316 4.797 1.00111.60 O +ATOM 416 N ASP A 276 34.004 55.927 7.891 1.00106.84 N +ATOM 417 CA ASP A 276 34.727 54.755 8.374 1.00108.62 C +ATOM 418 C ASP A 276 35.102 54.870 9.850 1.00108.52 C +ATOM 419 O ASP A 276 36.228 55.235 10.189 1.00108.58 O +ATOM 420 CB ASP A 276 35.985 54.545 7.529 1.00110.36 C +ATOM 421 CG ASP A 276 35.673 54.388 6.052 1.00112.32 C +ATOM 422 OD1 ASP A 276 36.624 54.333 5.244 1.00114.19 O +ATOM 423 OD2 ASP A 276 34.476 54.318 5.699 1.00112.05 O +ATOM 424 N THR A 277 34.150 54.548 10.721 1.00108.10 N +ATOM 425 CA THR A 277 34.370 54.612 12.161 1.00107.87 C +ATOM 426 C THR A 277 34.409 53.212 12.772 1.00107.13 C +ATOM 427 O THR A 277 33.844 52.268 12.221 1.00108.80 O +ATOM 428 CB THR A 277 33.265 55.442 12.851 1.00108.53 C +ATOM 429 OG1 THR A 277 33.275 56.775 12.324 1.00108.64 O +ATOM 430 CG2 THR A 277 33.494 55.500 14.356 1.00109.10 C +ATOM 431 N MET A 278 35.078 53.094 13.914 1.00105.49 N +ATOM 432 CA MET A 278 35.227 51.822 14.617 1.00104.49 C +ATOM 433 C MET A 278 33.928 51.327 15.249 1.00102.58 C +ATOM 434 O MET A 278 33.946 50.759 16.340 1.00101.99 O +ATOM 435 CB MET A 278 36.282 51.969 15.713 1.00106.87 C +ATOM 436 CG MET A 278 37.537 52.705 15.280 1.00108.96 C +ATOM 437 SD MET A 278 38.556 53.175 16.690 1.00112.57 S +ATOM 438 CE MET A 278 37.747 54.702 17.197 1.00108.93 C +ATOM 439 N GLU A 279 32.805 51.532 14.570 1.00100.41 N +ATOM 440 CA GLU A 279 31.519 51.104 15.108 1.00 97.21 C +ATOM 441 C GLU A 279 30.730 50.224 14.150 1.00 93.50 C +ATOM 442 O GLU A 279 29.541 49.985 14.360 1.00 93.12 O +ATOM 443 CB GLU A 279 30.676 52.323 15.477 1.00100.48 C +ATOM 444 CG GLU A 279 31.311 53.221 16.520 1.00104.42 C +ATOM 445 CD GLU A 279 30.496 54.471 16.773 1.00107.14 C +ATOM 446 OE1 GLU A 279 30.300 55.255 15.820 1.00108.12 O +ATOM 447 OE2 GLU A 279 30.050 54.667 17.924 1.00109.40 O +ATOM 448 N VAL A 280 31.389 49.744 13.102 1.00 88.61 N +ATOM 449 CA VAL A 280 30.730 48.892 12.121 1.00 84.21 C +ATOM 450 C VAL A 280 30.077 47.691 12.796 1.00 81.38 C +ATOM 451 O VAL A 280 28.927 47.354 12.513 1.00 81.23 O +ATOM 452 CB VAL A 280 31.731 48.383 11.065 1.00 83.29 C +ATOM 453 CG1 VAL A 280 31.025 47.472 10.077 1.00 82.30 C +ATOM 454 CG2 VAL A 280 32.361 49.562 10.341 1.00 83.12 C +ATOM 455 N GLU A 281 30.817 47.056 13.696 1.00 77.19 N +ATOM 456 CA GLU A 281 30.320 45.890 14.412 1.00 74.61 C +ATOM 457 C GLU A 281 28.995 46.170 15.115 1.00 71.94 C +ATOM 458 O GLU A 281 28.087 45.340 15.101 1.00 69.85 O +ATOM 459 CB GLU A 281 31.364 45.429 15.434 1.00 78.87 C +ATOM 460 CG GLU A 281 30.971 44.193 16.225 1.00 83.08 C +ATOM 461 CD GLU A 281 30.569 43.035 15.331 1.00 87.75 C +ATOM 462 OE1 GLU A 281 31.338 42.699 14.405 1.00 89.34 O +ATOM 463 OE2 GLU A 281 29.484 42.459 15.556 1.00 90.59 O +ATOM 464 N GLU A 282 28.886 47.343 15.729 1.00 68.51 N +ATOM 465 CA GLU A 282 27.671 47.709 16.442 1.00 65.04 C +ATOM 466 C GLU A 282 26.552 48.050 15.463 1.00 62.24 C +ATOM 467 O GLU A 282 25.398 47.667 15.660 1.00 58.75 O +ATOM 468 CB GLU A 282 27.936 48.905 17.358 1.00 66.22 C +ATOM 469 CG GLU A 282 27.076 48.896 18.606 1.00 71.71 C +ATOM 470 CD GLU A 282 27.249 47.612 19.405 1.00 74.81 C +ATOM 471 OE1 GLU A 282 28.397 47.315 19.803 1.00 73.26 O +ATOM 472 OE2 GLU A 282 26.244 46.900 19.631 1.00 74.49 O +ATOM 473 N PHE A 283 26.911 48.770 14.407 1.00 58.85 N +ATOM 474 CA PHE A 283 25.960 49.175 13.384 1.00 57.27 C +ATOM 475 C PHE A 283 25.299 47.930 12.788 1.00 59.11 C +ATOM 476 O PHE A 283 24.072 47.798 12.798 1.00 57.92 O +ATOM 477 CB PHE A 283 26.688 49.957 12.291 1.00 54.32 C +ATOM 478 CG PHE A 283 25.777 50.578 11.276 1.00 55.65 C +ATOM 479 CD1 PHE A 283 25.266 51.856 11.470 1.00 56.26 C +ATOM 480 CD2 PHE A 283 25.428 49.885 10.122 1.00 56.39 C +ATOM 481 CE1 PHE A 283 24.421 52.440 10.527 1.00 57.86 C +ATOM 482 CE2 PHE A 283 24.582 50.455 9.172 1.00 57.75 C +ATOM 483 CZ PHE A 283 24.078 51.736 9.374 1.00 56.56 C +ATOM 484 N LEU A 284 26.119 47.015 12.278 1.00 57.97 N +ATOM 485 CA LEU A 284 25.608 45.789 11.683 1.00 56.43 C +ATOM 486 C LEU A 284 24.746 44.988 12.649 1.00 53.73 C +ATOM 487 O LEU A 284 23.787 44.344 12.231 1.00 53.01 O +ATOM 488 CB LEU A 284 26.756 44.918 11.167 1.00 56.46 C +ATOM 489 CG LEU A 284 27.179 45.134 9.710 1.00 60.06 C +ATOM 490 CD1 LEU A 284 27.690 46.550 9.510 1.00 63.96 C +ATOM 491 CD2 LEU A 284 28.256 44.125 9.349 1.00 63.47 C +ATOM 492 N LYS A 285 25.076 45.028 13.936 1.00 50.01 N +ATOM 493 CA LYS A 285 24.290 44.291 14.920 1.00 50.13 C +ATOM 494 C LYS A 285 22.896 44.895 15.080 1.00 48.51 C +ATOM 495 O LYS A 285 21.926 44.179 15.351 1.00 45.48 O +ATOM 496 CB LYS A 285 24.987 44.271 16.282 1.00 53.64 C +ATOM 497 CG LYS A 285 24.178 43.527 17.338 1.00 59.24 C +ATOM 498 CD LYS A 285 24.916 43.371 18.656 1.00 63.43 C +ATOM 499 CE LYS A 285 24.130 42.457 19.594 1.00 66.18 C +ATOM 500 NZ LYS A 285 24.848 42.170 20.868 1.00 67.20 N +ATOM 501 N GLU A 286 22.803 46.214 14.922 1.00 46.42 N +ATOM 502 CA GLU A 286 21.524 46.906 15.044 1.00 43.23 C +ATOM 503 C GLU A 286 20.647 46.456 13.885 1.00 41.75 C +ATOM 504 O GLU A 286 19.487 46.081 14.068 1.00 39.37 O +ATOM 505 CB GLU A 286 21.718 48.422 14.968 1.00 45.84 C +ATOM 506 CG GLU A 286 20.487 49.204 15.395 1.00 48.48 C +ATOM 507 CD GLU A 286 20.604 50.692 15.147 1.00 48.38 C +ATOM 508 OE1 GLU A 286 21.742 51.204 15.070 1.00 54.00 O +ATOM 509 OE2 GLU A 286 19.551 51.355 15.043 1.00 46.58 O +ATOM 510 N ALA A 287 21.229 46.505 12.692 1.00 40.04 N +ATOM 511 CA ALA A 287 20.555 46.106 11.468 1.00 43.54 C +ATOM 512 C ALA A 287 19.992 44.691 11.594 1.00 43.53 C +ATOM 513 O ALA A 287 18.834 44.448 11.257 1.00 43.63 O +ATOM 514 CB ALA A 287 21.528 46.185 10.299 1.00 40.83 C +ATOM 515 N ALA A 288 20.810 43.767 12.093 1.00 39.76 N +ATOM 516 CA ALA A 288 20.389 42.379 12.256 1.00 41.18 C +ATOM 517 C ALA A 288 19.234 42.281 13.239 1.00 41.57 C +ATOM 518 O ALA A 288 18.293 41.508 13.041 1.00 40.79 O +ATOM 519 CB ALA A 288 21.561 41.525 12.742 1.00 42.62 C +ATOM 520 N VAL A 289 19.318 43.065 14.308 1.00 41.14 N +ATOM 521 CA VAL A 289 18.285 43.085 15.329 1.00 40.67 C +ATOM 522 C VAL A 289 16.953 43.579 14.765 1.00 38.56 C +ATOM 523 O VAL A 289 15.903 43.020 15.066 1.00 39.21 O +ATOM 524 CB VAL A 289 18.707 43.995 16.502 1.00 46.12 C +ATOM 525 CG1 VAL A 289 17.520 44.285 17.407 1.00 45.06 C +ATOM 526 CG2 VAL A 289 19.814 43.321 17.290 1.00 49.75 C +ATOM 527 N MET A 290 17.004 44.621 13.941 1.00 36.17 N +ATOM 528 CA MET A 290 15.794 45.198 13.359 1.00 37.51 C +ATOM 529 C MET A 290 15.089 44.287 12.356 1.00 39.07 C +ATOM 530 O MET A 290 13.885 44.419 12.112 1.00 35.14 O +ATOM 531 CB MET A 290 16.127 46.535 12.701 1.00 33.63 C +ATOM 532 CG MET A 290 16.531 47.613 13.704 1.00 36.33 C +ATOM 533 SD MET A 290 16.980 49.135 12.889 1.00 39.96 S +ATOM 534 CE MET A 290 18.684 48.806 12.519 1.00 51.96 C +ATOM 535 N LYS A 291 15.846 43.365 11.775 1.00 36.43 N +ATOM 536 CA LYS A 291 15.300 42.431 10.814 1.00 36.81 C +ATOM 537 C LYS A 291 14.493 41.367 11.541 1.00 39.17 C +ATOM 538 O LYS A 291 13.707 40.654 10.925 1.00 41.19 O +ATOM 539 CB LYS A 291 16.433 41.759 10.034 1.00 34.17 C +ATOM 540 CG LYS A 291 17.275 42.705 9.206 1.00 33.05 C +ATOM 541 CD LYS A 291 18.438 41.964 8.574 1.00 35.08 C +ATOM 542 CE LYS A 291 19.265 42.882 7.693 1.00 36.71 C +ATOM 543 NZ LYS A 291 20.480 42.180 7.195 1.00 37.23 N +ATOM 544 N GLU A 292 14.688 41.272 12.854 1.00 41.09 N +ATOM 545 CA GLU A 292 14.014 40.271 13.674 1.00 44.08 C +ATOM 546 C GLU A 292 12.728 40.757 14.327 1.00 46.84 C +ATOM 547 O GLU A 292 12.006 39.968 14.937 1.00 44.93 O +ATOM 548 CB GLU A 292 14.956 39.782 14.781 1.00 51.61 C +ATOM 549 CG GLU A 292 16.395 39.578 14.333 1.00 61.83 C +ATOM 550 CD GLU A 292 16.547 38.442 13.343 1.00 70.84 C +ATOM 551 OE1 GLU A 292 17.569 38.419 12.621 1.00 74.11 O +ATOM 552 OE2 GLU A 292 15.652 37.568 13.296 1.00 73.85 O +ATOM 553 N ILE A 293 12.433 42.047 14.221 1.00 45.34 N +ATOM 554 CA ILE A 293 11.224 42.549 14.854 1.00 43.04 C +ATOM 555 C ILE A 293 10.281 43.289 13.921 1.00 39.79 C +ATOM 556 O ILE A 293 10.700 43.964 12.982 1.00 41.36 O +ATOM 557 CB ILE A 293 11.572 43.447 16.073 1.00 44.39 C +ATOM 558 CG1 ILE A 293 12.469 44.606 15.649 1.00 42.85 C +ATOM 559 CG2 ILE A 293 12.283 42.617 17.136 1.00 43.52 C +ATOM 560 CD1 ILE A 293 13.039 45.400 16.830 1.00 38.44 C +ATOM 561 N LYS A 294 8.992 43.131 14.177 1.00 38.02 N +ATOM 562 CA LYS A 294 7.971 43.784 13.378 1.00 38.05 C +ATOM 563 C LYS A 294 6.726 43.914 14.232 1.00 37.49 C +ATOM 564 O LYS A 294 6.274 42.954 14.849 1.00 41.54 O +ATOM 565 CB LYS A 294 7.655 42.972 12.121 1.00 39.82 C +ATOM 566 CG LYS A 294 6.631 43.639 11.217 1.00 47.36 C +ATOM 567 CD LYS A 294 6.320 42.805 9.988 1.00 53.53 C +ATOM 568 CE LYS A 294 5.334 43.533 9.081 1.00 59.69 C +ATOM 569 NZ LYS A 294 4.940 42.705 7.902 1.00 65.62 N +ATOM 570 N HIS A 295 6.178 45.117 14.260 1.00 39.05 N +ATOM 571 CA HIS A 295 4.997 45.406 15.052 1.00 36.19 C +ATOM 572 C HIS A 295 4.506 46.778 14.604 1.00 36.03 C +ATOM 573 O HIS A 295 5.309 47.658 14.285 1.00 34.30 O +ATOM 574 CB HIS A 295 5.381 45.406 16.534 1.00 33.78 C +ATOM 575 CG HIS A 295 4.229 45.620 17.464 1.00 39.38 C +ATOM 576 ND1 HIS A 295 3.714 46.870 17.737 1.00 35.33 N +ATOM 577 CD2 HIS A 295 3.500 44.744 18.194 1.00 35.39 C +ATOM 578 CE1 HIS A 295 2.722 46.755 18.601 1.00 34.05 C +ATOM 579 NE2 HIS A 295 2.572 45.476 18.894 1.00 35.13 N +ATOM 580 N PRO A 296 3.178 46.976 14.561 1.00 38.60 N +ATOM 581 CA PRO A 296 2.626 48.266 14.136 1.00 34.76 C +ATOM 582 C PRO A 296 3.129 49.462 14.933 1.00 31.90 C +ATOM 583 O PRO A 296 3.106 50.585 14.435 1.00 29.90 O +ATOM 584 CB PRO A 296 1.117 48.063 14.279 1.00 34.42 C +ATOM 585 CG PRO A 296 1.016 47.064 15.393 1.00 40.77 C +ATOM 586 CD PRO A 296 2.106 46.080 15.036 1.00 36.24 C +ATOM 587 N ASN A 297 3.585 49.233 16.160 1.00 28.46 N +ATOM 588 CA ASN A 297 4.067 50.349 16.959 1.00 31.31 C +ATOM 589 C ASN A 297 5.577 50.390 17.213 1.00 31.59 C +ATOM 590 O ASN A 297 6.038 50.962 18.201 1.00 29.62 O +ATOM 591 CB ASN A 297 3.282 50.437 18.270 1.00 30.26 C +ATOM 592 CG ASN A 297 1.792 50.647 18.031 1.00 35.25 C +ATOM 593 OD1 ASN A 297 0.991 49.727 18.183 1.00 33.42 O +ATOM 594 ND2 ASN A 297 1.420 51.858 17.632 1.00 30.25 N +ATOM 595 N LEU A 298 6.337 49.775 16.309 1.00 31.76 N +ATOM 596 CA LEU A 298 7.794 49.804 16.369 1.00 30.17 C +ATOM 597 C LEU A 298 8.206 50.358 15.014 1.00 29.35 C +ATOM 598 O LEU A 298 7.685 49.925 13.984 1.00 31.76 O +ATOM 599 CB LEU A 298 8.383 48.402 16.589 1.00 34.10 C +ATOM 600 CG LEU A 298 8.334 47.914 18.044 1.00 37.93 C +ATOM 601 CD1 LEU A 298 8.761 46.461 18.142 1.00 44.49 C +ATOM 602 CD2 LEU A 298 9.250 48.790 18.891 1.00 42.06 C +ATOM 603 N VAL A 299 9.117 51.327 15.007 1.00 29.86 N +ATOM 604 CA VAL A 299 9.558 51.926 13.752 1.00 29.74 C +ATOM 605 C VAL A 299 9.880 50.799 12.788 1.00 32.64 C +ATOM 606 O VAL A 299 10.553 49.836 13.143 1.00 34.18 O +ATOM 607 CB VAL A 299 10.795 52.843 13.957 1.00 31.93 C +ATOM 608 CG1 VAL A 299 11.989 52.026 14.440 1.00 31.67 C +ATOM 609 CG2 VAL A 299 11.107 53.575 12.656 1.00 27.08 C +ATOM 610 N GLN A 300 9.395 50.918 11.561 1.00 36.89 N +ATOM 611 CA GLN A 300 9.581 49.858 10.586 1.00 34.35 C +ATOM 612 C GLN A 300 10.818 49.908 9.702 1.00 32.38 C +ATOM 613 O GLN A 300 11.059 50.888 9.002 1.00 28.78 O +ATOM 614 CB GLN A 300 8.329 49.783 9.711 1.00 38.24 C +ATOM 615 CG GLN A 300 8.360 48.722 8.633 1.00 45.76 C +ATOM 616 CD GLN A 300 7.021 48.608 7.920 1.00 58.64 C +ATOM 617 OE1 GLN A 300 6.469 49.605 7.438 1.00 54.86 O +ATOM 618 NE2 GLN A 300 6.489 47.390 7.851 1.00 62.71 N +ATOM 619 N LEU A 301 11.593 48.829 9.740 1.00 32.68 N +ATOM 620 CA LEU A 301 12.781 48.700 8.904 1.00 33.23 C +ATOM 621 C LEU A 301 12.273 48.546 7.473 1.00 36.25 C +ATOM 622 O LEU A 301 11.344 47.774 7.223 1.00 31.07 O +ATOM 623 CB LEU A 301 13.568 47.440 9.281 1.00 31.96 C +ATOM 624 CG LEU A 301 14.695 47.059 8.314 1.00 33.28 C +ATOM 625 CD1 LEU A 301 15.826 48.077 8.434 1.00 33.89 C +ATOM 626 CD2 LEU A 301 15.203 45.651 8.625 1.00 32.55 C +ATOM 627 N LEU A 302 12.865 49.278 6.534 1.00 35.26 N +ATOM 628 CA LEU A 302 12.447 49.163 5.145 1.00 35.73 C +ATOM 629 C LEU A 302 13.531 48.497 4.301 1.00 39.80 C +ATOM 630 O LEU A 302 13.247 47.912 3.254 1.00 37.37 O +ATOM 631 CB LEU A 302 12.102 50.539 4.566 1.00 34.10 C +ATOM 632 CG LEU A 302 10.853 51.207 5.153 1.00 34.54 C +ATOM 633 CD1 LEU A 302 10.554 52.502 4.403 1.00 32.15 C +ATOM 634 CD2 LEU A 302 9.665 50.252 5.042 1.00 36.35 C +ATOM 635 N GLY A 303 14.772 48.574 4.768 1.00 37.46 N +ATOM 636 CA GLY A 303 15.866 47.972 4.030 1.00 39.94 C +ATOM 637 C GLY A 303 17.224 48.400 4.541 1.00 42.93 C +ATOM 638 O GLY A 303 17.325 49.295 5.386 1.00 39.55 O +ATOM 639 N VAL A 304 18.269 47.755 4.031 1.00 43.17 N +ATOM 640 CA VAL A 304 19.635 48.070 4.429 1.00 45.73 C +ATOM 641 C VAL A 304 20.589 48.085 3.239 1.00 47.37 C +ATOM 642 O VAL A 304 20.256 47.628 2.146 1.00 46.95 O +ATOM 643 CB VAL A 304 20.183 47.049 5.450 1.00 43.53 C +ATOM 644 CG1 VAL A 304 19.294 47.005 6.674 1.00 46.51 C +ATOM 645 CG2 VAL A 304 20.291 45.667 4.801 1.00 46.43 C +ATOM 646 N CYS A 305 21.775 48.635 3.470 1.00 48.86 N +ATOM 647 CA CYS A 305 22.835 48.708 2.468 1.00 52.92 C +ATOM 648 C CYS A 305 24.108 48.473 3.260 1.00 54.98 C +ATOM 649 O CYS A 305 24.899 49.390 3.469 1.00 53.49 O +ATOM 650 CB CYS A 305 22.891 50.089 1.811 1.00 55.07 C +ATOM 651 SG CYS A 305 21.479 50.532 0.770 1.00 53.92 S +ATOM 652 N THR A 306 24.274 47.240 3.728 1.00 58.21 N +ATOM 653 CA THR A 306 25.433 46.859 4.521 1.00 63.84 C +ATOM 654 C THR A 306 26.261 45.825 3.773 1.00 69.89 C +ATOM 655 O THR A 306 26.799 44.885 4.363 1.00 69.00 O +ATOM 656 CB THR A 306 25.009 46.274 5.878 1.00 61.24 C +ATOM 657 OG1 THR A 306 24.179 45.127 5.665 1.00 62.30 O +ATOM 658 CG2 THR A 306 24.239 47.308 6.683 1.00 60.57 C +ATOM 659 N ARG A 307 26.350 46.011 2.463 1.00 74.98 N +ATOM 660 CA ARG A 307 27.113 45.122 1.604 1.00 81.68 C +ATOM 661 C ARG A 307 28.464 45.796 1.389 1.00 83.80 C +ATOM 662 O ARG A 307 29.518 45.163 1.466 1.00 83.37 O +ATOM 663 CB ARG A 307 26.389 44.955 0.264 1.00 85.14 C +ATOM 664 CG ARG A 307 26.952 43.877 -0.649 1.00 91.42 C +ATOM 665 CD ARG A 307 26.429 42.492 -0.289 1.00 95.61 C +ATOM 666 NE ARG A 307 26.811 42.080 1.059 1.00 99.22 N +ATOM 667 CZ ARG A 307 26.543 40.885 1.576 1.00100.78 C +ATOM 668 NH1 ARG A 307 25.890 39.980 0.857 1.00100.95 N +ATOM 669 NH2 ARG A 307 26.932 40.591 2.810 1.00101.65 N +ATOM 670 N GLU A 308 28.410 47.100 1.136 1.00 84.91 N +ATOM 671 CA GLU A 308 29.600 47.903 0.893 1.00 85.91 C +ATOM 672 C GLU A 308 29.396 49.283 1.505 1.00 84.27 C +ATOM 673 O GLU A 308 28.294 49.826 1.470 1.00 83.82 O +ATOM 674 CB GLU A 308 29.816 48.060 -0.612 1.00 88.44 C +ATOM 675 CG GLU A 308 29.669 46.773 -1.402 1.00 94.47 C +ATOM 676 CD GLU A 308 29.243 47.025 -2.835 1.00 98.64 C +ATOM 677 OE1 GLU A 308 28.166 47.630 -3.031 1.00100.43 O +ATOM 678 OE2 GLU A 308 29.980 46.620 -3.760 1.00100.21 O +ATOM 679 N PRO A 309 30.455 49.866 2.085 1.00 82.20 N +ATOM 680 CA PRO A 309 30.322 51.198 2.685 1.00 79.18 C +ATOM 681 C PRO A 309 29.982 52.224 1.599 1.00 74.74 C +ATOM 682 O PRO A 309 30.333 52.034 0.435 1.00 73.53 O +ATOM 683 CB PRO A 309 31.702 51.437 3.293 1.00 79.98 C +ATOM 684 CG PRO A 309 32.149 50.048 3.655 1.00 81.49 C +ATOM 685 CD PRO A 309 31.753 49.261 2.430 1.00 81.87 C +ATOM 686 N PRO A 310 29.280 53.314 1.959 1.00 71.89 N +ATOM 687 CA PRO A 310 28.777 53.671 3.293 1.00 68.73 C +ATOM 688 C PRO A 310 27.537 52.853 3.646 1.00 65.13 C +ATOM 689 O PRO A 310 26.596 52.770 2.858 1.00 64.84 O +ATOM 690 CB PRO A 310 28.444 55.160 3.156 1.00 69.64 C +ATOM 691 CG PRO A 310 29.257 55.611 1.974 1.00 72.03 C +ATOM 692 CD PRO A 310 29.123 54.449 1.038 1.00 71.40 C +ATOM 693 N PHE A 311 27.528 52.264 4.834 1.00 60.80 N +ATOM 694 CA PHE A 311 26.394 51.455 5.256 1.00 58.88 C +ATOM 695 C PHE A 311 25.128 52.270 5.519 1.00 55.00 C +ATOM 696 O PHE A 311 25.180 53.384 6.047 1.00 51.84 O +ATOM 697 CB PHE A 311 26.774 50.645 6.498 1.00 61.48 C +ATOM 698 CG PHE A 311 27.854 49.626 6.246 1.00 66.39 C +ATOM 699 CD1 PHE A 311 28.484 48.984 7.307 1.00 68.62 C +ATOM 700 CD2 PHE A 311 28.243 49.308 4.948 1.00 69.06 C +ATOM 701 CE1 PHE A 311 29.488 48.042 7.078 1.00 69.33 C +ATOM 702 CE2 PHE A 311 29.244 48.369 4.709 1.00 71.13 C +ATOM 703 CZ PHE A 311 29.867 47.735 5.778 1.00 69.02 C +ATOM 704 N TYR A 312 23.992 51.695 5.134 1.00 50.78 N +ATOM 705 CA TYR A 312 22.686 52.324 5.308 1.00 45.58 C +ATOM 706 C TYR A 312 21.700 51.433 6.059 1.00 46.07 C +ATOM 707 O TYR A 312 21.755 50.206 5.971 1.00 43.96 O +ATOM 708 CB TYR A 312 22.033 52.616 3.953 1.00 46.09 C +ATOM 709 CG TYR A 312 22.559 53.778 3.147 1.00 43.06 C +ATOM 710 CD1 TYR A 312 21.987 54.085 1.912 1.00 46.04 C +ATOM 711 CD2 TYR A 312 23.607 54.573 3.602 1.00 46.12 C +ATOM 712 CE1 TYR A 312 22.440 55.154 1.149 1.00 49.30 C +ATOM 713 CE2 TYR A 312 24.074 55.652 2.839 1.00 47.40 C +ATOM 714 CZ TYR A 312 23.483 55.933 1.617 1.00 51.68 C +ATOM 715 OH TYR A 312 23.929 56.990 0.854 1.00 59.35 O +ATOM 716 N ILE A 313 20.799 52.067 6.803 1.00 44.59 N +ATOM 717 CA ILE A 313 19.714 51.367 7.479 1.00 38.94 C +ATOM 718 C ILE A 313 18.563 52.313 7.219 1.00 40.63 C +ATOM 719 O ILE A 313 18.564 53.451 7.694 1.00 40.12 O +ATOM 720 CB ILE A 313 19.887 51.209 8.994 1.00 36.35 C +ATOM 721 CG1 ILE A 313 20.972 50.183 9.299 1.00 30.56 C +ATOM 722 CG2 ILE A 313 18.583 50.682 9.602 1.00 32.34 C +ATOM 723 CD1 ILE A 313 21.190 49.984 10.767 1.00 28.65 C +ATOM 724 N ILE A 314 17.597 51.846 6.440 1.00 37.19 N +ATOM 725 CA ILE A 314 16.456 52.663 6.076 1.00 36.89 C +ATOM 726 C ILE A 314 15.172 52.234 6.776 1.00 36.98 C +ATOM 727 O ILE A 314 14.820 51.051 6.792 1.00 34.48 O +ATOM 728 CB ILE A 314 16.218 52.622 4.545 1.00 35.83 C +ATOM 729 CG1 ILE A 314 17.507 52.973 3.797 1.00 38.96 C +ATOM 730 CG2 ILE A 314 15.133 53.611 4.149 1.00 30.95 C +ATOM 731 CD1 ILE A 314 18.236 51.777 3.233 1.00 42.05 C +ATOM 732 N THR A 315 14.488 53.206 7.369 1.00 37.45 N +ATOM 733 CA THR A 315 13.210 52.957 8.030 1.00 36.03 C +ATOM 734 C THR A 315 12.233 54.002 7.501 1.00 36.77 C +ATOM 735 O THR A 315 12.615 54.909 6.754 1.00 33.63 O +ATOM 736 CB THR A 315 13.279 53.135 9.552 1.00 34.61 C +ATOM 737 OG1 THR A 315 13.462 54.521 9.857 1.00 32.38 O +ATOM 738 CG2 THR A 315 14.424 52.319 10.148 1.00 36.12 C +ATOM 739 N GLU A 316 10.973 53.869 7.892 1.00 36.95 N +ATOM 740 CA GLU A 316 9.944 54.814 7.482 1.00 39.64 C +ATOM 741 C GLU A 316 10.248 56.164 8.125 1.00 38.83 C +ATOM 742 O GLU A 316 11.021 56.249 9.081 1.00 36.84 O +ATOM 743 CB GLU A 316 8.572 54.332 7.956 1.00 35.62 C +ATOM 744 CG GLU A 316 8.556 53.959 9.436 1.00 44.15 C +ATOM 745 CD GLU A 316 7.176 53.574 9.943 1.00 48.29 C +ATOM 746 OE1 GLU A 316 7.102 52.730 10.861 1.00 45.12 O +ATOM 747 OE2 GLU A 316 6.171 54.120 9.434 1.00 46.43 O +ATOM 748 N PHE A 317 9.638 57.215 7.592 1.00 40.75 N +ATOM 749 CA PHE A 317 9.810 58.560 8.125 1.00 43.41 C +ATOM 750 C PHE A 317 8.487 58.898 8.805 1.00 42.73 C +ATOM 751 O PHE A 317 7.425 58.773 8.195 1.00 44.97 O +ATOM 752 CB PHE A 317 10.083 59.558 6.990 1.00 43.36 C +ATOM 753 CG PHE A 317 10.260 60.978 7.456 1.00 47.40 C +ATOM 754 CD1 PHE A 317 11.443 61.384 8.067 1.00 49.36 C +ATOM 755 CD2 PHE A 317 9.234 61.907 7.306 1.00 47.67 C +ATOM 756 CE1 PHE A 317 11.602 62.696 8.523 1.00 49.52 C +ATOM 757 CE2 PHE A 317 9.384 63.220 7.759 1.00 46.05 C +ATOM 758 CZ PHE A 317 10.570 63.613 8.369 1.00 45.20 C +ATOM 759 N MET A 318 8.543 59.313 10.066 1.00 42.01 N +ATOM 760 CA MET A 318 7.324 59.654 10.793 1.00 37.92 C +ATOM 761 C MET A 318 7.109 61.159 10.734 1.00 39.19 C +ATOM 762 O MET A 318 7.885 61.936 11.295 1.00 34.76 O +ATOM 763 CB MET A 318 7.428 59.182 12.239 1.00 40.54 C +ATOM 764 CG MET A 318 7.673 57.686 12.379 1.00 47.22 C +ATOM 765 SD MET A 318 6.231 56.697 11.970 1.00 51.11 S +ATOM 766 CE MET A 318 5.201 57.012 13.414 1.00 47.41 C +ATOM 767 N THR A 319 6.036 61.551 10.055 1.00 37.84 N +ATOM 768 CA THR A 319 5.680 62.949 9.846 1.00 40.01 C +ATOM 769 C THR A 319 5.893 63.960 10.968 1.00 36.83 C +ATOM 770 O THR A 319 6.470 65.017 10.728 1.00 38.09 O +ATOM 771 CB THR A 319 4.211 63.071 9.369 1.00 40.70 C +ATOM 772 OG1 THR A 319 4.063 62.370 8.129 1.00 46.49 O +ATOM 773 CG2 THR A 319 3.830 64.536 9.148 1.00 39.92 C +ATOM 774 N TYR A 320 5.442 63.657 12.184 1.00 34.84 N +ATOM 775 CA TYR A 320 5.573 64.625 13.275 1.00 35.68 C +ATOM 776 C TYR A 320 6.790 64.536 14.193 1.00 33.49 C +ATOM 777 O TYR A 320 6.834 65.188 15.230 1.00 32.24 O +ATOM 778 CB TYR A 320 4.289 64.635 14.114 1.00 38.03 C +ATOM 779 CG TYR A 320 3.074 65.033 13.307 1.00 40.26 C +ATOM 780 CD1 TYR A 320 2.205 64.071 12.805 1.00 43.64 C +ATOM 781 CD2 TYR A 320 2.838 66.369 12.983 1.00 44.06 C +ATOM 782 CE1 TYR A 320 1.129 64.424 11.992 1.00 50.14 C +ATOM 783 CE2 TYR A 320 1.765 66.738 12.169 1.00 48.80 C +ATOM 784 CZ TYR A 320 0.917 65.758 11.678 1.00 51.39 C +ATOM 785 OH TYR A 320 -0.134 66.103 10.862 1.00 60.07 O +ATOM 786 N GLY A 321 7.772 63.727 13.823 1.00 32.07 N +ATOM 787 CA GLY A 321 8.977 63.636 14.629 1.00 32.17 C +ATOM 788 C GLY A 321 8.889 62.915 15.957 1.00 31.09 C +ATOM 789 O GLY A 321 7.975 62.120 16.195 1.00 31.74 O +ATOM 790 N ASN A 322 9.845 63.203 16.835 1.00 33.28 N +ATOM 791 CA ASN A 322 9.907 62.541 18.135 1.00 30.98 C +ATOM 792 C ASN A 322 8.812 62.999 19.088 1.00 30.73 C +ATOM 793 O ASN A 322 8.394 64.155 19.062 1.00 29.15 O +ATOM 794 CB ASN A 322 11.303 62.725 18.756 1.00 32.64 C +ATOM 795 CG ASN A 322 11.506 64.097 19.372 1.00 28.88 C +ATOM 796 OD1 ASN A 322 11.051 64.361 20.481 1.00 34.28 O +ATOM 797 ND2 ASN A 322 12.194 64.975 18.654 1.00 29.47 N +ATOM 798 N LEU A 323 8.349 62.068 19.922 1.00 31.92 N +ATOM 799 CA LEU A 323 7.278 62.318 20.876 1.00 29.50 C +ATOM 800 C LEU A 323 7.539 63.420 21.895 1.00 32.60 C +ATOM 801 O LEU A 323 6.629 64.178 22.234 1.00 31.46 O +ATOM 802 CB LEU A 323 6.926 61.026 21.618 1.00 27.79 C +ATOM 803 CG LEU A 323 5.769 61.120 22.622 1.00 29.00 C +ATOM 804 CD1 LEU A 323 4.475 61.475 21.901 1.00 24.70 C +ATOM 805 CD2 LEU A 323 5.626 59.798 23.359 1.00 30.34 C +ATOM 806 N LEU A 324 8.769 63.515 22.393 1.00 32.28 N +ATOM 807 CA LEU A 324 9.081 64.539 23.382 1.00 29.65 C +ATOM 808 C LEU A 324 8.743 65.945 22.872 1.00 31.92 C +ATOM 809 O LEU A 324 7.979 66.679 23.514 1.00 31.46 O +ATOM 810 CB LEU A 324 10.560 64.467 23.786 1.00 32.57 C +ATOM 811 CG LEU A 324 10.979 65.410 24.924 1.00 31.99 C +ATOM 812 CD1 LEU A 324 10.023 65.258 26.114 1.00 27.01 C +ATOM 813 CD2 LEU A 324 12.416 65.094 25.339 1.00 28.73 C +ATOM 814 N ASP A 325 9.296 66.321 21.723 1.00 27.40 N +ATOM 815 CA ASP A 325 9.012 67.641 21.177 1.00 37.16 C +ATOM 816 C ASP A 325 7.554 67.764 20.727 1.00 35.39 C +ATOM 817 O ASP A 325 6.966 68.841 20.820 1.00 35.86 O +ATOM 818 CB ASP A 325 9.949 67.965 20.005 1.00 35.98 C +ATOM 819 CG ASP A 325 11.405 68.046 20.434 1.00 41.86 C +ATOM 820 OD1 ASP A 325 11.660 68.381 21.608 1.00 42.47 O +ATOM 821 OD2 ASP A 325 12.294 67.787 19.597 1.00 46.46 O +ATOM 822 N TYR A 326 6.968 66.670 20.243 1.00 33.68 N +ATOM 823 CA TYR A 326 5.578 66.720 19.808 1.00 30.58 C +ATOM 824 C TYR A 326 4.690 67.124 20.985 1.00 31.75 C +ATOM 825 O TYR A 326 3.853 68.021 20.864 1.00 31.20 O +ATOM 826 CB TYR A 326 5.123 65.367 19.269 1.00 33.28 C +ATOM 827 CG TYR A 326 3.677 65.356 18.810 1.00 35.76 C +ATOM 828 CD1 TYR A 326 3.302 65.950 17.603 1.00 37.96 C +ATOM 829 CD2 TYR A 326 2.679 64.779 19.598 1.00 37.37 C +ATOM 830 CE1 TYR A 326 1.961 65.972 17.192 1.00 42.13 C +ATOM 831 CE2 TYR A 326 1.335 64.794 19.196 1.00 40.29 C +ATOM 832 CZ TYR A 326 0.986 65.395 17.995 1.00 41.42 C +ATOM 833 OH TYR A 326 -0.337 65.445 17.613 1.00 50.11 O +ATOM 834 N LEU A 327 4.888 66.474 22.127 1.00 30.34 N +ATOM 835 CA LEU A 327 4.094 66.767 23.313 1.00 33.30 C +ATOM 836 C LEU A 327 4.250 68.209 23.781 1.00 35.04 C +ATOM 837 O LEU A 327 3.290 68.817 24.255 1.00 32.74 O +ATOM 838 CB LEU A 327 4.474 65.827 24.461 1.00 36.35 C +ATOM 839 CG LEU A 327 4.021 64.367 24.415 1.00 35.86 C +ATOM 840 CD1 LEU A 327 4.898 63.551 25.347 1.00 38.63 C +ATOM 841 CD2 LEU A 327 2.563 64.244 24.819 1.00 37.88 C +ATOM 842 N ARG A 328 5.459 68.749 23.656 1.00 31.16 N +ATOM 843 CA ARG A 328 5.739 70.119 24.080 1.00 29.95 C +ATOM 844 C ARG A 328 5.195 71.165 23.120 1.00 28.22 C +ATOM 845 O ARG A 328 4.917 72.291 23.521 1.00 27.91 O +ATOM 846 CB ARG A 328 7.251 70.337 24.218 1.00 29.20 C +ATOM 847 CG ARG A 328 7.907 69.457 25.277 1.00 35.19 C +ATOM 848 CD ARG A 328 9.429 69.604 25.313 1.00 32.64 C +ATOM 849 NE ARG A 328 9.972 68.921 26.489 1.00 42.52 N +ATOM 850 CZ ARG A 328 11.262 68.852 26.805 1.00 39.78 C +ATOM 851 NH1 ARG A 328 12.176 69.427 26.036 1.00 37.72 N +ATOM 852 NH2 ARG A 328 11.637 68.196 27.895 1.00 39.05 N +ATOM 853 N GLU A 329 5.037 70.786 21.858 1.00 28.84 N +ATOM 854 CA GLU A 329 4.588 71.716 20.830 1.00 32.10 C +ATOM 855 C GLU A 329 3.175 71.512 20.296 1.00 31.72 C +ATOM 856 O GLU A 329 2.751 72.239 19.405 1.00 35.43 O +ATOM 857 CB GLU A 329 5.556 71.653 19.644 1.00 33.88 C +ATOM 858 CG GLU A 329 6.962 72.157 19.930 1.00 46.24 C +ATOM 859 CD GLU A 329 7.966 71.694 18.883 1.00 48.22 C +ATOM 860 OE1 GLU A 329 7.601 71.646 17.691 1.00 53.88 O +ATOM 861 OE2 GLU A 329 9.120 71.386 19.251 1.00 52.09 O +ATOM 862 N CYS A 330 2.445 70.546 20.832 1.00 31.37 N +ATOM 863 CA CYS A 330 1.109 70.259 20.323 1.00 35.50 C +ATOM 864 C CYS A 330 -0.013 71.197 20.757 1.00 36.50 C +ATOM 865 O CYS A 330 0.130 72.025 21.659 1.00 36.53 O +ATOM 866 CB CYS A 330 0.703 68.836 20.705 1.00 31.09 C +ATOM 867 SG CYS A 330 0.357 68.645 22.467 1.00 39.07 S +ATOM 868 N ASN A 331 -1.136 71.033 20.075 1.00 37.27 N +ATOM 869 CA ASN A 331 -2.361 71.766 20.343 1.00 36.92 C +ATOM 870 C ASN A 331 -2.963 70.899 21.447 1.00 35.95 C +ATOM 871 O ASN A 331 -3.427 69.789 21.183 1.00 35.13 O +ATOM 872 CB ASN A 331 -3.236 71.743 19.080 1.00 34.49 C +ATOM 873 CG ASN A 331 -4.638 72.290 19.320 1.00 34.75 C +ATOM 874 OD1 ASN A 331 -5.069 72.454 20.455 1.00 32.34 O +ATOM 875 ND2 ASN A 331 -5.359 72.566 18.234 1.00 31.96 N +ATOM 876 N ARG A 332 -2.936 71.385 22.683 1.00 35.52 N +ATOM 877 CA ARG A 332 -3.457 70.589 23.786 1.00 37.72 C +ATOM 878 C ARG A 332 -4.948 70.321 23.722 1.00 39.47 C +ATOM 879 O ARG A 332 -5.454 69.439 24.415 1.00 37.66 O +ATOM 880 CB ARG A 332 -3.097 71.224 25.120 1.00 37.75 C +ATOM 881 CG ARG A 332 -1.608 71.311 25.352 1.00 34.35 C +ATOM 882 CD ARG A 332 -1.312 71.584 26.810 1.00 35.19 C +ATOM 883 NE ARG A 332 0.111 71.800 27.049 1.00 40.25 N +ATOM 884 CZ ARG A 332 0.637 71.958 28.256 1.00 40.09 C +ATOM 885 NH1 ARG A 332 -0.148 71.917 29.324 1.00 39.85 N +ATOM 886 NH2 ARG A 332 1.940 72.166 28.394 1.00 39.11 N +ATOM 887 N GLN A 333 -5.655 71.087 22.902 1.00 39.42 N +ATOM 888 CA GLN A 333 -7.085 70.874 22.751 1.00 45.53 C +ATOM 889 C GLN A 333 -7.260 69.635 21.882 1.00 45.65 C +ATOM 890 O GLN A 333 -8.182 68.847 22.075 1.00 47.79 O +ATOM 891 CB GLN A 333 -7.739 72.087 22.087 1.00 45.54 C +ATOM 892 CG GLN A 333 -7.831 73.292 23.000 1.00 45.50 C +ATOM 893 CD GLN A 333 -8.627 72.990 24.248 1.00 47.72 C +ATOM 894 OE1 GLN A 333 -9.744 72.484 24.171 1.00 49.89 O +ATOM 895 NE2 GLN A 333 -8.057 73.299 25.408 1.00 48.21 N +ATOM 896 N GLU A 334 -6.355 69.472 20.925 1.00 43.73 N +ATOM 897 CA GLU A 334 -6.378 68.330 20.027 1.00 48.48 C +ATOM 898 C GLU A 334 -5.823 67.102 20.755 1.00 48.44 C +ATOM 899 O GLU A 334 -6.451 66.041 20.778 1.00 44.32 O +ATOM 900 CB GLU A 334 -5.532 68.633 18.795 1.00 52.34 C +ATOM 901 CG GLU A 334 -5.522 67.535 17.766 1.00 61.40 C +ATOM 902 CD GLU A 334 -4.484 67.781 16.698 1.00 68.17 C +ATOM 903 OE1 GLU A 334 -4.536 68.853 16.055 1.00 72.20 O +ATOM 904 OE2 GLU A 334 -3.617 66.902 16.505 1.00 70.17 O +ATOM 905 N VAL A 335 -4.642 67.256 21.349 1.00 46.04 N +ATOM 906 CA VAL A 335 -4.011 66.166 22.085 1.00 44.57 C +ATOM 907 C VAL A 335 -4.563 66.159 23.508 1.00 47.58 C +ATOM 908 O VAL A 335 -3.882 66.553 24.458 1.00 50.06 O +ATOM 909 CB VAL A 335 -2.471 66.332 22.134 1.00 42.30 C +ATOM 910 CG1 VAL A 335 -1.839 65.136 22.831 1.00 37.67 C +ATOM 911 CG2 VAL A 335 -1.920 66.477 20.728 1.00 35.84 C +ATOM 912 N SER A 336 -5.806 65.710 23.646 1.00 48.33 N +ATOM 913 CA SER A 336 -6.465 65.664 24.944 1.00 48.76 C +ATOM 914 C SER A 336 -6.091 64.429 25.749 1.00 49.69 C +ATOM 915 O SER A 336 -5.225 63.655 25.352 1.00 47.48 O +ATOM 916 CB SER A 336 -7.984 65.710 24.763 1.00 51.37 C +ATOM 917 OG SER A 336 -8.448 64.576 24.050 1.00 55.41 O +ATOM 918 N ALA A 337 -6.769 64.258 26.881 1.00 49.59 N +ATOM 919 CA ALA A 337 -6.538 63.145 27.792 1.00 51.26 C +ATOM 920 C ALA A 337 -6.717 61.774 27.150 1.00 50.70 C +ATOM 921 O ALA A 337 -5.955 60.853 27.433 1.00 52.27 O +ATOM 922 CB ALA A 337 -7.462 63.269 29.001 1.00 56.49 C +ATOM 923 N VAL A 338 -7.733 61.639 26.305 1.00 47.72 N +ATOM 924 CA VAL A 338 -8.004 60.374 25.633 1.00 45.61 C +ATOM 925 C VAL A 338 -6.883 60.057 24.649 1.00 44.76 C +ATOM 926 O VAL A 338 -6.513 58.896 24.470 1.00 41.38 O +ATOM 927 CB VAL A 338 -9.358 60.420 24.886 1.00 43.00 C +ATOM 928 CG1 VAL A 338 -9.412 61.632 23.978 1.00 46.44 C +ATOM 929 CG2 VAL A 338 -9.558 59.146 24.080 1.00 45.73 C +ATOM 930 N VAL A 339 -6.342 61.096 24.019 1.00 43.59 N +ATOM 931 CA VAL A 339 -5.252 60.920 23.071 1.00 40.06 C +ATOM 932 C VAL A 339 -3.980 60.512 23.817 1.00 41.67 C +ATOM 933 O VAL A 339 -3.239 59.641 23.354 1.00 38.69 O +ATOM 934 CB VAL A 339 -5.003 62.209 22.266 1.00 41.82 C +ATOM 935 CG1 VAL A 339 -3.820 62.021 21.317 1.00 35.36 C +ATOM 936 CG2 VAL A 339 -6.266 62.566 21.480 1.00 37.80 C +ATOM 937 N LEU A 340 -3.725 61.129 24.969 1.00 38.96 N +ATOM 938 CA LEU A 340 -2.541 60.773 25.750 1.00 40.04 C +ATOM 939 C LEU A 340 -2.629 59.305 26.152 1.00 38.37 C +ATOM 940 O LEU A 340 -1.655 58.561 26.050 1.00 41.57 O +ATOM 941 CB LEU A 340 -2.427 61.641 27.006 1.00 38.24 C +ATOM 942 CG LEU A 340 -2.116 63.119 26.775 1.00 42.43 C +ATOM 943 CD1 LEU A 340 -1.985 63.821 28.122 1.00 43.99 C +ATOM 944 CD2 LEU A 340 -0.826 63.259 25.965 1.00 36.22 C +ATOM 945 N LEU A 341 -3.807 58.896 26.607 1.00 37.65 N +ATOM 946 CA LEU A 341 -4.044 57.514 27.008 1.00 39.44 C +ATOM 947 C LEU A 341 -3.812 56.600 25.800 1.00 37.11 C +ATOM 948 O LEU A 341 -3.241 55.518 25.918 1.00 36.75 O +ATOM 949 CB LEU A 341 -5.482 57.363 27.512 1.00 45.25 C +ATOM 950 CG LEU A 341 -5.930 56.008 28.061 1.00 50.55 C +ATOM 951 CD1 LEU A 341 -5.192 55.691 29.359 1.00 50.89 C +ATOM 952 CD2 LEU A 341 -7.430 56.058 28.302 1.00 55.66 C +ATOM 953 N TYR A 342 -4.263 57.047 24.636 1.00 34.32 N +ATOM 954 CA TYR A 342 -4.092 56.283 23.410 1.00 36.29 C +ATOM 955 C TYR A 342 -2.602 56.113 23.083 1.00 35.87 C +ATOM 956 O TYR A 342 -2.166 55.046 22.650 1.00 34.78 O +ATOM 957 CB TYR A 342 -4.805 56.992 22.253 1.00 31.76 C +ATOM 958 CG TYR A 342 -4.556 56.372 20.893 1.00 34.42 C +ATOM 959 CD1 TYR A 342 -4.664 54.995 20.702 1.00 37.01 C +ATOM 960 CD2 TYR A 342 -4.226 57.167 19.794 1.00 34.82 C +ATOM 961 CE1 TYR A 342 -4.448 54.422 19.452 1.00 37.55 C +ATOM 962 CE2 TYR A 342 -4.007 56.603 18.536 1.00 35.22 C +ATOM 963 CZ TYR A 342 -4.119 55.231 18.375 1.00 39.08 C +ATOM 964 OH TYR A 342 -3.897 54.667 17.142 1.00 39.26 O +ATOM 965 N MET A 343 -1.822 57.167 23.296 1.00 33.42 N +ATOM 966 CA MET A 343 -0.395 57.093 23.007 1.00 34.11 C +ATOM 967 C MET A 343 0.317 56.124 23.948 1.00 34.28 C +ATOM 968 O MET A 343 1.205 55.377 23.524 1.00 34.69 O +ATOM 969 CB MET A 343 0.234 58.489 23.078 1.00 35.23 C +ATOM 970 CG MET A 343 -0.290 59.434 21.995 1.00 36.70 C +ATOM 971 SD MET A 343 0.487 61.075 21.966 1.00 50.47 S +ATOM 972 CE MET A 343 0.748 61.327 23.669 1.00 37.56 C +ATOM 973 N ALA A 344 -0.075 56.123 25.219 1.00 33.15 N +ATOM 974 CA ALA A 344 0.540 55.232 26.197 1.00 34.64 C +ATOM 975 C ALA A 344 0.158 53.781 25.900 1.00 38.58 C +ATOM 976 O ALA A 344 0.920 52.848 26.188 1.00 33.88 O +ATOM 977 CB ALA A 344 0.100 55.616 27.606 1.00 38.80 C +ATOM 978 N THR A 345 -1.025 53.594 25.321 1.00 35.92 N +ATOM 979 CA THR A 345 -1.493 52.258 24.978 1.00 39.14 C +ATOM 980 C THR A 345 -0.687 51.673 23.816 1.00 42.15 C +ATOM 981 O THR A 345 -0.361 50.480 23.820 1.00 43.66 O +ATOM 982 CB THR A 345 -2.982 52.274 24.595 1.00 43.26 C +ATOM 983 OG1 THR A 345 -3.756 52.719 25.716 1.00 44.46 O +ATOM 984 CG2 THR A 345 -3.444 50.875 24.190 1.00 44.78 C +ATOM 985 N GLN A 346 -0.364 52.501 22.822 1.00 36.14 N +ATOM 986 CA GLN A 346 0.410 52.015 21.682 1.00 35.80 C +ATOM 987 C GLN A 346 1.816 51.629 22.124 1.00 32.82 C +ATOM 988 O GLN A 346 2.344 50.600 21.708 1.00 30.20 O +ATOM 989 CB GLN A 346 0.484 53.074 20.585 1.00 37.11 C +ATOM 990 CG GLN A 346 -0.867 53.401 19.972 1.00 37.68 C +ATOM 991 CD GLN A 346 -0.793 54.552 18.997 1.00 35.70 C +ATOM 992 OE1 GLN A 346 -0.393 54.382 17.845 1.00 36.51 O +ATOM 993 NE2 GLN A 346 -1.166 55.740 19.459 1.00 33.21 N +ATOM 994 N ILE A 347 2.412 52.448 22.986 1.00 33.27 N +ATOM 995 CA ILE A 347 3.754 52.180 23.479 1.00 33.32 C +ATOM 996 C ILE A 347 3.809 50.892 24.302 1.00 34.58 C +ATOM 997 O ILE A 347 4.733 50.091 24.149 1.00 34.53 O +ATOM 998 CB ILE A 347 4.280 53.361 24.321 1.00 33.29 C +ATOM 999 CG1 ILE A 347 4.336 54.621 23.454 1.00 31.67 C +ATOM 1000 CG2 ILE A 347 5.669 53.036 24.857 1.00 30.31 C +ATOM 1001 CD1 ILE A 347 4.409 55.925 24.240 1.00 36.48 C +ATOM 1002 N SER A 348 2.816 50.676 25.161 1.00 34.44 N +ATOM 1003 CA SER A 348 2.795 49.463 25.976 1.00 34.85 C +ATOM 1004 C SER A 348 2.646 48.223 25.088 1.00 38.05 C +ATOM 1005 O SER A 348 3.109 47.141 25.435 1.00 36.36 O +ATOM 1006 CB SER A 348 1.645 49.516 26.988 1.00 38.53 C +ATOM 1007 OG SER A 348 0.380 49.519 26.345 1.00 41.53 O +ATOM 1008 N SER A 349 1.998 48.390 23.939 1.00 39.86 N +ATOM 1009 CA SER A 349 1.785 47.284 23.007 1.00 38.57 C +ATOM 1010 C SER A 349 3.118 46.872 22.392 1.00 39.55 C +ATOM 1011 O SER A 349 3.444 45.685 22.310 1.00 40.44 O +ATOM 1012 CB SER A 349 0.800 47.708 21.909 1.00 37.56 C +ATOM 1013 OG SER A 349 0.533 46.643 21.011 1.00 43.66 O +ATOM 1014 N ALA A 350 3.894 47.860 21.968 1.00 37.49 N +ATOM 1015 CA ALA A 350 5.192 47.592 21.374 1.00 34.90 C +ATOM 1016 C ALA A 350 6.104 46.898 22.378 1.00 37.39 C +ATOM 1017 O ALA A 350 6.821 45.955 22.032 1.00 39.41 O +ATOM 1018 CB ALA A 350 5.830 48.891 20.906 1.00 34.68 C +ATOM 1019 N MET A 351 6.071 47.360 23.624 1.00 34.22 N +ATOM 1020 CA MET A 351 6.920 46.788 24.659 1.00 36.08 C +ATOM 1021 C MET A 351 6.489 45.372 25.035 1.00 41.08 C +ATOM 1022 O MET A 351 7.327 44.527 25.375 1.00 35.73 O +ATOM 1023 CB MET A 351 6.928 47.695 25.891 1.00 35.92 C +ATOM 1024 CG MET A 351 7.573 49.067 25.647 1.00 34.95 C +ATOM 1025 SD MET A 351 9.232 48.953 24.893 1.00 38.64 S +ATOM 1026 CE MET A 351 10.076 47.893 26.063 1.00 37.65 C +ATOM 1027 N GLU A 352 5.183 45.125 24.969 1.00 38.19 N +ATOM 1028 CA GLU A 352 4.620 43.812 25.267 1.00 42.83 C +ATOM 1029 C GLU A 352 5.189 42.825 24.247 1.00 42.77 C +ATOM 1030 O GLU A 352 5.490 41.673 24.570 1.00 41.76 O +ATOM 1031 CB GLU A 352 3.092 43.867 25.140 1.00 46.72 C +ATOM 1032 CG GLU A 352 2.377 42.537 25.345 1.00 51.47 C +ATOM 1033 CD GLU A 352 0.867 42.650 25.165 1.00 55.73 C +ATOM 1034 OE1 GLU A 352 0.154 41.674 25.468 1.00 57.99 O +ATOM 1035 OE2 GLU A 352 0.389 43.713 24.716 1.00 61.83 O +ATOM 1036 N TYR A 353 5.339 43.301 23.014 1.00 40.07 N +ATOM 1037 CA TYR A 353 5.871 42.496 21.917 1.00 41.31 C +ATOM 1038 C TYR A 353 7.364 42.219 22.114 1.00 42.90 C +ATOM 1039 O TYR A 353 7.828 41.104 21.889 1.00 45.06 O +ATOM 1040 CB TYR A 353 5.638 43.223 20.589 1.00 38.62 C +ATOM 1041 CG TYR A 353 6.355 42.613 19.402 1.00 39.01 C +ATOM 1042 CD1 TYR A 353 5.843 41.488 18.750 1.00 37.53 C +ATOM 1043 CD2 TYR A 353 7.542 43.169 18.927 1.00 33.41 C +ATOM 1044 CE1 TYR A 353 6.499 40.935 17.646 1.00 37.63 C +ATOM 1045 CE2 TYR A 353 8.204 42.631 17.838 1.00 40.93 C +ATOM 1046 CZ TYR A 353 7.679 41.513 17.198 1.00 40.89 C +ATOM 1047 OH TYR A 353 8.350 40.979 16.123 1.00 38.64 O +ATOM 1048 N LEU A 354 8.116 43.235 22.524 1.00 41.88 N +ATOM 1049 CA LEU A 354 9.545 43.064 22.759 1.00 42.74 C +ATOM 1050 C LEU A 354 9.736 42.112 23.938 1.00 41.55 C +ATOM 1051 O LEU A 354 10.665 41.302 23.961 1.00 37.70 O +ATOM 1052 CB LEU A 354 10.195 44.419 23.047 1.00 40.31 C +ATOM 1053 CG LEU A 354 11.137 45.005 21.983 1.00 47.37 C +ATOM 1054 CD1 LEU A 354 10.719 44.602 20.581 1.00 46.63 C +ATOM 1055 CD2 LEU A 354 11.157 46.521 22.126 1.00 47.19 C +ATOM 1056 N GLU A 355 8.836 42.210 24.908 1.00 40.09 N +ATOM 1057 CA GLU A 355 8.876 41.355 26.085 1.00 44.81 C +ATOM 1058 C GLU A 355 8.685 39.916 25.606 1.00 49.02 C +ATOM 1059 O GLU A 355 9.455 39.022 25.960 1.00 49.21 O +ATOM 1060 CB GLU A 355 7.752 41.746 27.048 1.00 45.05 C +ATOM 1061 CG GLU A 355 7.704 40.934 28.328 1.00 49.69 C +ATOM 1062 CD GLU A 355 6.602 41.394 29.268 1.00 54.44 C +ATOM 1063 OE1 GLU A 355 5.408 41.227 28.929 1.00 53.39 O +ATOM 1064 OE2 GLU A 355 6.932 41.929 30.349 1.00 56.79 O +ATOM 1065 N LYS A 356 7.656 39.712 24.787 1.00 49.39 N +ATOM 1066 CA LYS A 356 7.342 38.403 24.233 1.00 49.79 C +ATOM 1067 C LYS A 356 8.553 37.809 23.525 1.00 49.69 C +ATOM 1068 O LYS A 356 8.844 36.625 23.674 1.00 48.42 O +ATOM 1069 CB LYS A 356 6.184 38.520 23.236 1.00 56.14 C +ATOM 1070 CG LYS A 356 5.885 37.236 22.464 1.00 66.49 C +ATOM 1071 CD LYS A 356 4.994 37.494 21.251 1.00 70.52 C +ATOM 1072 CE LYS A 356 3.632 38.038 21.657 1.00 77.41 C +ATOM 1073 NZ LYS A 356 2.885 37.086 22.532 1.00 81.29 N +ATOM 1074 N LYS A 357 9.257 38.636 22.757 1.00 47.02 N +ATOM 1075 CA LYS A 357 10.426 38.180 22.015 1.00 49.17 C +ATOM 1076 C LYS A 357 11.704 38.193 22.840 1.00 48.11 C +ATOM 1077 O LYS A 357 12.797 38.066 22.300 1.00 48.57 O +ATOM 1078 CB LYS A 357 10.628 39.038 20.769 1.00 51.90 C +ATOM 1079 CG LYS A 357 9.453 39.033 19.814 1.00 60.24 C +ATOM 1080 CD LYS A 357 9.821 39.731 18.521 1.00 67.51 C +ATOM 1081 CE LYS A 357 10.742 38.880 17.658 1.00 69.21 C +ATOM 1082 NZ LYS A 357 10.051 37.657 17.152 1.00 70.25 N +ATOM 1083 N ASN A 358 11.563 38.352 24.148 1.00 48.82 N +ATOM 1084 CA ASN A 358 12.712 38.378 25.044 1.00 50.66 C +ATOM 1085 C ASN A 358 13.764 39.426 24.663 1.00 48.27 C +ATOM 1086 O ASN A 358 14.957 39.235 24.905 1.00 47.58 O +ATOM 1087 CB ASN A 358 13.352 36.985 25.120 1.00 51.54 C +ATOM 1088 CG ASN A 358 12.350 35.904 25.514 1.00 57.88 C +ATOM 1089 OD1 ASN A 358 11.740 35.960 26.586 1.00 57.15 O +ATOM 1090 ND2 ASN A 358 12.173 34.917 24.641 1.00 59.25 N +ATOM 1091 N PHE A 359 13.320 40.523 24.053 1.00 46.43 N +ATOM 1092 CA PHE A 359 14.223 41.617 23.693 1.00 46.06 C +ATOM 1093 C PHE A 359 14.145 42.656 24.812 1.00 46.41 C +ATOM 1094 O PHE A 359 13.137 42.748 25.519 1.00 47.60 O +ATOM 1095 CB PHE A 359 13.808 42.297 22.384 1.00 48.77 C +ATOM 1096 CG PHE A 359 14.282 41.595 21.144 1.00 54.97 C +ATOM 1097 CD1 PHE A 359 13.442 40.729 20.452 1.00 57.91 C +ATOM 1098 CD2 PHE A 359 15.562 41.820 20.653 1.00 57.60 C +ATOM 1099 CE1 PHE A 359 13.869 40.099 19.284 1.00 56.02 C +ATOM 1100 CE2 PHE A 359 15.999 41.197 19.489 1.00 59.24 C +ATOM 1101 CZ PHE A 359 15.149 40.335 18.803 1.00 59.94 C +ATOM 1102 N ILE A 360 15.209 43.435 24.970 1.00 44.26 N +ATOM 1103 CA ILE A 360 15.259 44.477 25.990 1.00 43.82 C +ATOM 1104 C ILE A 360 15.549 45.785 25.277 1.00 41.69 C +ATOM 1105 O ILE A 360 16.429 45.843 24.426 1.00 45.67 O +ATOM 1106 CB ILE A 360 16.378 44.201 27.030 1.00 44.38 C +ATOM 1107 CG1 ILE A 360 15.972 43.044 27.950 1.00 43.64 C +ATOM 1108 CG2 ILE A 360 16.633 45.441 27.870 1.00 46.30 C +ATOM 1109 CD1 ILE A 360 15.819 41.711 27.256 1.00 51.88 C +ATOM 1110 N HIS A 361 14.813 46.839 25.610 1.00 40.74 N +ATOM 1111 CA HIS A 361 15.035 48.118 24.945 1.00 38.29 C +ATOM 1112 C HIS A 361 16.286 48.824 25.452 1.00 33.72 C +ATOM 1113 O HIS A 361 17.188 49.124 24.672 1.00 34.71 O +ATOM 1114 CB HIS A 361 13.817 49.029 25.113 1.00 37.42 C +ATOM 1115 CG HIS A 361 13.853 50.236 24.231 1.00 37.16 C +ATOM 1116 ND1 HIS A 361 14.729 51.281 24.434 1.00 38.41 N +ATOM 1117 CD2 HIS A 361 13.158 50.538 23.109 1.00 36.32 C +ATOM 1118 CE1 HIS A 361 14.576 52.173 23.471 1.00 40.15 C +ATOM 1119 NE2 HIS A 361 13.629 51.746 22.654 1.00 35.99 N +ATOM 1120 N ARG A 362 16.318 49.088 26.756 1.00 38.18 N +ATOM 1121 CA ARG A 362 17.433 49.755 27.444 1.00 43.16 C +ATOM 1122 C ARG A 362 17.413 51.283 27.497 1.00 42.04 C +ATOM 1123 O ARG A 362 18.133 51.873 28.297 1.00 41.66 O +ATOM 1124 CB ARG A 362 18.788 49.323 26.873 1.00 43.82 C +ATOM 1125 CG ARG A 362 19.318 47.999 27.405 1.00 53.00 C +ATOM 1126 CD ARG A 362 20.759 47.786 26.936 1.00 59.17 C +ATOM 1127 NE ARG A 362 21.169 46.385 26.992 1.00 66.01 N +ATOM 1128 CZ ARG A 362 21.897 45.846 27.966 1.00 66.59 C +ATOM 1129 NH1 ARG A 362 22.311 46.589 28.984 1.00 65.19 N +ATOM 1130 NH2 ARG A 362 22.207 44.557 27.919 1.00 64.39 N +ATOM 1131 N ASP A 363 16.609 51.932 26.663 1.00 39.71 N +ATOM 1132 CA ASP A 363 16.576 53.390 26.680 1.00 34.49 C +ATOM 1133 C ASP A 363 15.220 53.915 26.254 1.00 32.39 C +ATOM 1134 O ASP A 363 15.113 54.722 25.335 1.00 31.37 O +ATOM 1135 CB ASP A 363 17.662 53.943 25.761 1.00 33.01 C +ATOM 1136 CG ASP A 363 17.880 55.438 25.943 1.00 36.08 C +ATOM 1137 OD1 ASP A 363 17.359 56.013 26.928 1.00 37.24 O +ATOM 1138 OD2 ASP A 363 18.586 56.031 25.099 1.00 37.56 O +ATOM 1139 N LEU A 364 14.190 53.441 26.938 1.00 31.69 N +ATOM 1140 CA LEU A 364 12.817 53.823 26.664 1.00 32.60 C +ATOM 1141 C LEU A 364 12.539 55.192 27.275 1.00 31.68 C +ATOM 1142 O LEU A 364 12.713 55.393 28.476 1.00 33.58 O +ATOM 1143 CB LEU A 364 11.871 52.779 27.262 1.00 32.07 C +ATOM 1144 CG LEU A 364 10.378 53.030 27.064 1.00 36.27 C +ATOM 1145 CD1 LEU A 364 10.062 53.048 25.568 1.00 31.48 C +ATOM 1146 CD2 LEU A 364 9.581 51.937 27.779 1.00 31.97 C +ATOM 1147 N ALA A 365 12.105 56.125 26.439 1.00 31.70 N +ATOM 1148 CA ALA A 365 11.818 57.490 26.867 1.00 33.84 C +ATOM 1149 C ALA A 365 11.079 58.172 25.721 1.00 32.94 C +ATOM 1150 O ALA A 365 11.138 57.702 24.585 1.00 34.17 O +ATOM 1151 CB ALA A 365 13.133 58.230 27.162 1.00 34.30 C +ATOM 1152 N ALA A 366 10.390 59.274 26.009 1.00 32.78 N +ATOM 1153 CA ALA A 366 9.646 59.988 24.976 1.00 30.52 C +ATOM 1154 C ALA A 366 10.531 60.400 23.795 1.00 32.13 C +ATOM 1155 O ALA A 366 10.089 60.369 22.646 1.00 28.98 O +ATOM 1156 CB ALA A 366 8.957 61.219 25.578 1.00 33.56 C +ATOM 1157 N ARG A 367 11.781 60.766 24.076 1.00 27.44 N +ATOM 1158 CA ARG A 367 12.716 61.188 23.031 1.00 27.52 C +ATOM 1159 C ARG A 367 13.024 60.069 22.027 1.00 30.19 C +ATOM 1160 O ARG A 367 13.472 60.335 20.910 1.00 29.41 O +ATOM 1161 CB ARG A 367 14.025 61.675 23.664 1.00 32.56 C +ATOM 1162 CG ARG A 367 14.705 60.610 24.507 1.00 25.30 C +ATOM 1163 CD ARG A 367 15.991 61.101 25.174 1.00 34.84 C +ATOM 1164 NE ARG A 367 16.500 60.042 26.038 1.00 31.33 N +ATOM 1165 CZ ARG A 367 16.185 59.905 27.320 1.00 34.53 C +ATOM 1166 NH1 ARG A 367 15.374 60.777 27.907 1.00 31.97 N +ATOM 1167 NH2 ARG A 367 16.637 58.861 28.003 1.00 34.61 N +ATOM 1168 N ASN A 368 12.797 58.822 22.428 1.00 29.39 N +ATOM 1169 CA ASN A 368 13.043 57.691 21.539 1.00 32.68 C +ATOM 1170 C ASN A 368 11.765 57.190 20.851 1.00 34.67 C +ATOM 1171 O ASN A 368 11.739 56.090 20.298 1.00 35.61 O +ATOM 1172 CB ASN A 368 13.715 56.545 22.301 1.00 29.09 C +ATOM 1173 CG ASN A 368 15.233 56.630 22.256 1.00 33.68 C +ATOM 1174 OD1 ASN A 368 15.812 57.096 21.280 1.00 30.40 O +ATOM 1175 ND2 ASN A 368 15.879 56.172 23.312 1.00 36.21 N +ATOM 1176 N CYS A 369 10.706 57.998 20.890 1.00 32.29 N +ATOM 1177 CA CYS A 369 9.451 57.622 20.242 1.00 30.49 C +ATOM 1178 C CYS A 369 9.131 58.585 19.103 1.00 31.64 C +ATOM 1179 O CYS A 369 9.544 59.743 19.121 1.00 28.94 O +ATOM 1180 CB CYS A 369 8.302 57.594 21.255 1.00 28.47 C +ATOM 1181 SG CYS A 369 8.498 56.331 22.541 1.00 35.73 S +ATOM 1182 N LEU A 370 8.399 58.088 18.111 1.00 28.47 N +ATOM 1183 CA LEU A 370 8.042 58.868 16.934 1.00 30.18 C +ATOM 1184 C LEU A 370 6.531 58.994 16.816 1.00 33.38 C +ATOM 1185 O LEU A 370 5.789 58.100 17.229 1.00 33.69 O +ATOM 1186 CB LEU A 370 8.603 58.184 15.680 1.00 33.56 C +ATOM 1187 CG LEU A 370 9.803 58.747 14.903 1.00 40.67 C +ATOM 1188 CD1 LEU A 370 10.602 59.733 15.725 1.00 39.00 C +ATOM 1189 CD2 LEU A 370 10.660 57.580 14.446 1.00 39.09 C +ATOM 1190 N VAL A 371 6.081 60.107 16.246 1.00 31.57 N +ATOM 1191 CA VAL A 371 4.661 60.350 16.079 1.00 33.10 C +ATOM 1192 C VAL A 371 4.294 60.473 14.614 1.00 33.32 C +ATOM 1193 O VAL A 371 4.907 61.246 13.872 1.00 35.17 O +ATOM 1194 CB VAL A 371 4.221 61.645 16.799 1.00 34.98 C +ATOM 1195 CG1 VAL A 371 2.733 61.895 16.557 1.00 28.00 C +ATOM 1196 CG2 VAL A 371 4.509 61.534 18.280 1.00 28.15 C +ATOM 1197 N GLY A 372 3.291 59.704 14.202 1.00 34.94 N +ATOM 1198 CA GLY A 372 2.839 59.749 12.824 1.00 37.23 C +ATOM 1199 C GLY A 372 1.497 60.455 12.709 1.00 38.92 C +ATOM 1200 O GLY A 372 1.121 61.244 13.573 1.00 38.07 O +ATOM 1201 N GLU A 373 0.768 60.157 11.641 1.00 40.35 N +ATOM 1202 CA GLU A 373 -0.531 60.763 11.404 1.00 41.18 C +ATOM 1203 C GLU A 373 -1.567 60.135 12.330 1.00 40.15 C +ATOM 1204 O GLU A 373 -1.423 58.986 12.744 1.00 38.95 O +ATOM 1205 CB GLU A 373 -0.948 60.533 9.951 1.00 46.79 C +ATOM 1206 CG GLU A 373 -1.675 61.694 9.313 1.00 53.04 C +ATOM 1207 CD GLU A 373 -0.746 62.846 8.997 1.00 61.83 C +ATOM 1208 OE1 GLU A 373 0.183 62.654 8.182 1.00 63.39 O +ATOM 1209 OE2 GLU A 373 -0.943 63.943 9.565 1.00 67.69 O +ATOM 1210 N ASN A 374 -2.607 60.896 12.661 1.00 39.36 N +ATOM 1211 CA ASN A 374 -3.682 60.397 13.514 1.00 39.33 C +ATOM 1212 C ASN A 374 -3.174 59.897 14.867 1.00 39.13 C +ATOM 1213 O ASN A 374 -3.696 58.924 15.411 1.00 33.86 O +ATOM 1214 CB ASN A 374 -4.426 59.264 12.796 1.00 42.18 C +ATOM 1215 CG ASN A 374 -4.861 59.648 11.388 1.00 47.50 C +ATOM 1216 OD1 ASN A 374 -5.701 60.524 11.205 1.00 49.41 O +ATOM 1217 ND2 ASN A 374 -4.279 58.993 10.386 1.00 49.30 N +ATOM 1218 N HIS A 375 -2.148 60.559 15.398 1.00 37.89 N +ATOM 1219 CA HIS A 375 -1.582 60.202 16.698 1.00 34.55 C +ATOM 1220 C HIS A 375 -1.017 58.789 16.789 1.00 30.06 C +ATOM 1221 O HIS A 375 -0.993 58.183 17.864 1.00 33.14 O +ATOM 1222 CB HIS A 375 -2.630 60.426 17.792 1.00 37.33 C +ATOM 1223 CG HIS A 375 -3.125 61.837 17.855 1.00 44.51 C +ATOM 1224 ND1 HIS A 375 -4.460 62.154 17.980 1.00 46.17 N +ATOM 1225 CD2 HIS A 375 -2.462 63.016 17.790 1.00 47.32 C +ATOM 1226 CE1 HIS A 375 -4.599 63.468 17.987 1.00 49.15 C +ATOM 1227 NE2 HIS A 375 -3.401 64.015 17.873 1.00 50.82 N +ATOM 1228 N LEU A 376 -0.568 58.271 15.653 1.00 31.71 N +ATOM 1229 CA LEU A 376 0.052 56.954 15.594 1.00 30.69 C +ATOM 1230 C LEU A 376 1.401 57.163 16.304 1.00 33.87 C +ATOM 1231 O LEU A 376 2.103 58.140 16.026 1.00 30.46 O +ATOM 1232 CB LEU A 376 0.301 56.573 14.136 1.00 29.20 C +ATOM 1233 CG LEU A 376 0.501 55.123 13.679 1.00 39.64 C +ATOM 1234 CD1 LEU A 376 1.415 55.139 12.455 1.00 39.80 C +ATOM 1235 CD2 LEU A 376 1.100 54.263 14.771 1.00 36.37 C +ATOM 1236 N VAL A 377 1.759 56.268 17.217 1.00 32.89 N +ATOM 1237 CA VAL A 377 3.028 56.390 17.938 1.00 33.17 C +ATOM 1238 C VAL A 377 3.837 55.110 17.787 1.00 32.57 C +ATOM 1239 O VAL A 377 3.295 54.010 17.889 1.00 31.26 O +ATOM 1240 CB VAL A 377 2.809 56.639 19.450 1.00 32.64 C +ATOM 1241 CG1 VAL A 377 4.147 56.629 20.176 1.00 31.32 C +ATOM 1242 CG2 VAL A 377 2.113 57.964 19.670 1.00 24.75 C +ATOM 1243 N LYS A 378 5.134 55.253 17.537 1.00 29.95 N +ATOM 1244 CA LYS A 378 5.996 54.089 17.390 1.00 29.73 C +ATOM 1245 C LYS A 378 7.273 54.231 18.208 1.00 33.03 C +ATOM 1246 O LYS A 378 7.881 55.301 18.258 1.00 28.44 O +ATOM 1247 CB LYS A 378 6.348 53.865 15.920 1.00 32.33 C +ATOM 1248 CG LYS A 378 5.144 53.532 15.060 1.00 38.87 C +ATOM 1249 CD LYS A 378 5.541 53.022 13.683 1.00 39.86 C +ATOM 1250 CE LYS A 378 4.292 52.780 12.842 1.00 39.93 C +ATOM 1251 NZ LYS A 378 4.591 52.178 11.530 1.00 37.88 N +ATOM 1252 N VAL A 379 7.656 53.134 18.854 1.00 32.31 N +ATOM 1253 CA VAL A 379 8.851 53.081 19.669 1.00 31.15 C +ATOM 1254 C VAL A 379 10.060 52.841 18.773 1.00 32.16 C +ATOM 1255 O VAL A 379 10.016 52.031 17.842 1.00 29.32 O +ATOM 1256 CB VAL A 379 8.762 51.943 20.712 1.00 33.37 C +ATOM 1257 CG1 VAL A 379 10.105 51.763 21.415 1.00 30.34 C +ATOM 1258 CG2 VAL A 379 7.682 52.259 21.727 1.00 29.56 C +ATOM 1259 N ALA A 380 11.131 53.566 19.056 1.00 30.20 N +ATOM 1260 CA ALA A 380 12.370 53.447 18.303 1.00 27.94 C +ATOM 1261 C ALA A 380 13.548 53.446 19.282 1.00 31.12 C +ATOM 1262 O ALA A 380 13.346 53.374 20.497 1.00 30.00 O +ATOM 1263 CB ALA A 380 12.490 54.608 17.330 1.00 23.61 C +ATOM 1264 N ASP A 381 14.768 53.498 18.745 1.00 32.71 N +ATOM 1265 CA ASP A 381 15.997 53.536 19.548 1.00 34.41 C +ATOM 1266 C ASP A 381 17.043 54.230 18.679 1.00 34.91 C +ATOM 1267 O ASP A 381 17.668 53.621 17.804 1.00 34.83 O +ATOM 1268 CB ASP A 381 16.463 52.125 19.922 1.00 37.88 C +ATOM 1269 CG ASP A 381 17.682 52.134 20.839 1.00 47.19 C +ATOM 1270 OD1 ASP A 381 17.819 53.080 21.649 1.00 50.37 O +ATOM 1271 OD2 ASP A 381 18.500 51.193 20.759 1.00 52.55 O +ATOM 1272 N PHE A 382 17.212 55.521 18.922 1.00 30.18 N +ATOM 1273 CA PHE A 382 18.122 56.336 18.137 1.00 34.92 C +ATOM 1274 C PHE A 382 19.568 56.341 18.633 1.00 33.20 C +ATOM 1275 O PHE A 382 20.403 57.047 18.069 1.00 35.64 O +ATOM 1276 CB PHE A 382 17.580 57.770 18.092 1.00 34.74 C +ATOM 1277 CG PHE A 382 16.133 57.863 17.668 1.00 38.27 C +ATOM 1278 CD1 PHE A 382 15.255 58.713 18.335 1.00 41.10 C +ATOM 1279 CD2 PHE A 382 15.657 57.129 16.586 1.00 38.21 C +ATOM 1280 CE1 PHE A 382 13.926 58.833 17.930 1.00 43.41 C +ATOM 1281 CE2 PHE A 382 14.331 57.242 16.170 1.00 39.56 C +ATOM 1282 CZ PHE A 382 13.463 58.096 16.841 1.00 39.00 C +ATOM 1283 N GLY A 383 19.861 55.554 19.668 1.00 39.20 N +ATOM 1284 CA GLY A 383 21.213 55.512 20.213 1.00 36.80 C +ATOM 1285 C GLY A 383 21.674 56.924 20.526 1.00 40.70 C +ATOM 1286 O GLY A 383 22.694 57.384 20.018 1.00 41.71 O +ATOM 1287 N LEU A 384 20.908 57.608 21.373 1.00 42.68 N +ATOM 1288 CA LEU A 384 21.173 58.993 21.758 1.00 47.34 C +ATOM 1289 C LEU A 384 22.294 59.195 22.788 1.00 50.06 C +ATOM 1290 O LEU A 384 22.690 60.332 23.052 1.00 46.15 O +ATOM 1291 CB LEU A 384 19.873 59.625 22.278 1.00 42.35 C +ATOM 1292 CG LEU A 384 18.670 59.535 21.326 1.00 46.94 C +ATOM 1293 CD1 LEU A 384 17.373 59.886 22.055 1.00 43.27 C +ATOM 1294 CD2 LEU A 384 18.893 60.458 20.137 1.00 45.26 C +ATOM 1295 N SER A 385 22.795 58.101 23.361 1.00 54.99 N +ATOM 1296 CA SER A 385 23.871 58.148 24.359 1.00 59.78 C +ATOM 1297 C SER A 385 24.867 59.297 24.183 1.00 63.92 C +ATOM 1298 O SER A 385 24.945 60.194 25.022 1.00 62.95 O +ATOM 1299 CB SER A 385 24.651 56.830 24.362 1.00 57.71 C +ATOM 1300 OG SER A 385 23.944 55.802 25.029 1.00 62.16 O +ATOM 1301 N ARG A 386 25.632 59.256 23.096 1.00 70.27 N +ATOM 1302 CA ARG A 386 26.636 60.280 22.814 1.00 77.37 C +ATOM 1303 C ARG A 386 26.137 61.446 21.969 1.00 79.87 C +ATOM 1304 O ARG A 386 26.862 62.416 21.758 1.00 82.23 O +ATOM 1305 CB ARG A 386 27.845 59.661 22.112 1.00 80.99 C +ATOM 1306 CG ARG A 386 28.812 58.925 23.019 1.00 85.15 C +ATOM 1307 CD ARG A 386 30.091 58.622 22.253 1.00 89.57 C +ATOM 1308 NE ARG A 386 30.659 59.836 21.666 1.00 91.27 N +ATOM 1309 CZ ARG A 386 31.688 59.854 20.825 1.00 92.63 C +ATOM 1310 NH1 ARG A 386 32.274 58.720 20.463 1.00 93.39 N +ATOM 1311 NH2 ARG A 386 32.130 61.008 20.342 1.00 92.14 N +ATOM 1312 N LEU A 387 24.909 61.352 21.477 1.00 81.96 N +ATOM 1313 CA LEU A 387 24.351 62.416 20.656 1.00 84.55 C +ATOM 1314 C LEU A 387 23.886 63.582 21.526 1.00 86.34 C +ATOM 1315 O LEU A 387 24.273 64.730 21.301 1.00 86.43 O +ATOM 1316 CB LEU A 387 23.184 61.876 19.827 1.00 84.68 C +ATOM 1317 CG LEU A 387 23.535 60.681 18.939 1.00 84.96 C +ATOM 1318 CD1 LEU A 387 22.288 60.182 18.226 1.00 86.73 C +ATOM 1319 CD2 LEU A 387 24.609 61.086 17.941 1.00 84.01 C +ATOM 1320 N MET A 388 23.058 63.278 22.522 1.00 88.35 N +ATOM 1321 CA MET A 388 22.537 64.290 23.436 1.00 88.70 C +ATOM 1322 C MET A 388 23.670 65.123 24.027 1.00 89.12 C +ATOM 1323 O MET A 388 24.703 64.590 24.437 1.00 87.41 O +ATOM 1324 CB MET A 388 21.749 63.622 24.565 1.00 88.38 C +ATOM 1325 CG MET A 388 20.492 62.904 24.106 1.00 88.78 C +ATOM 1326 SD MET A 388 19.086 64.001 23.870 1.00 91.04 S +ATOM 1327 CE MET A 388 18.226 63.789 25.418 1.00 88.29 C +ATOM 1328 N THR A 389 23.466 66.434 24.066 1.00 90.62 N +ATOM 1329 CA THR A 389 24.463 67.352 24.601 1.00 91.97 C +ATOM 1330 C THR A 389 24.025 67.891 25.957 1.00 92.05 C +ATOM 1331 O THR A 389 24.797 68.558 26.651 1.00 93.05 O +ATOM 1332 CB THR A 389 24.685 68.542 23.645 1.00 92.00 C +ATOM 1333 OG1 THR A 389 23.441 69.219 23.429 1.00 90.66 O +ATOM 1334 CG2 THR A 389 25.234 68.057 22.310 1.00 91.11 C +ATOM 1335 N GLY A 390 22.785 67.588 26.332 1.00 90.27 N +ATOM 1336 CA GLY A 390 22.255 68.063 27.596 1.00 86.71 C +ATOM 1337 C GLY A 390 22.679 67.276 28.818 1.00 84.49 C +ATOM 1338 O GLY A 390 23.718 66.615 28.824 1.00 82.73 O +ATOM 1339 N ASP A 391 21.861 67.358 29.862 1.00 83.44 N +ATOM 1340 CA ASP A 391 22.126 66.665 31.115 1.00 80.54 C +ATOM 1341 C ASP A 391 21.284 65.391 31.202 1.00 75.27 C +ATOM 1342 O ASP A 391 21.197 64.762 32.259 1.00 72.51 O +ATOM 1343 CB ASP A 391 21.802 67.587 32.292 1.00 85.90 C +ATOM 1344 CG ASP A 391 22.301 67.043 33.616 1.00 91.25 C +ATOM 1345 OD1 ASP A 391 22.013 67.665 34.662 1.00 94.88 O +ATOM 1346 OD2 ASP A 391 22.986 65.996 33.611 1.00 95.02 O +ATOM 1347 N THR A 392 20.662 65.021 30.085 1.00 68.61 N +ATOM 1348 CA THR A 392 19.830 63.824 30.031 1.00 63.52 C +ATOM 1349 C THR A 392 20.673 62.584 30.315 1.00 58.70 C +ATOM 1350 O THR A 392 20.332 61.787 31.186 1.00 55.31 O +ATOM 1351 CB THR A 392 19.153 63.677 28.652 1.00 64.03 C +ATOM 1352 OG1 THR A 392 18.340 64.830 28.397 1.00 65.17 O +ATOM 1353 CG2 THR A 392 18.275 62.434 28.614 1.00 61.64 C +ATOM 1354 N TYR A 393 21.771 62.429 29.580 1.00 55.52 N +ATOM 1355 CA TYR A 393 22.670 61.295 29.776 1.00 58.14 C +ATOM 1356 C TYR A 393 23.935 61.736 30.513 1.00 61.89 C +ATOM 1357 O TYR A 393 24.536 62.757 30.172 1.00 62.42 O +ATOM 1358 CB TYR A 393 23.081 60.680 28.434 1.00 55.46 C +ATOM 1359 CG TYR A 393 21.947 60.113 27.610 1.00 55.93 C +ATOM 1360 CD1 TYR A 393 21.143 60.941 26.829 1.00 53.44 C +ATOM 1361 CD2 TYR A 393 21.684 58.743 27.603 1.00 53.95 C +ATOM 1362 CE1 TYR A 393 20.109 60.418 26.059 1.00 53.92 C +ATOM 1363 CE2 TYR A 393 20.652 58.212 26.837 1.00 52.31 C +ATOM 1364 CZ TYR A 393 19.869 59.054 26.066 1.00 53.22 C +ATOM 1365 OH TYR A 393 18.849 58.537 25.297 1.00 49.88 O +ATOM 1366 N THR A 394 24.339 60.967 31.520 1.00 63.83 N +ATOM 1367 CA THR A 394 25.547 61.285 32.279 1.00 66.99 C +ATOM 1368 C THR A 394 26.544 60.133 32.283 1.00 68.25 C +ATOM 1369 O THR A 394 26.165 58.963 32.349 1.00 64.94 O +ATOM 1370 CB THR A 394 25.231 61.672 33.739 1.00 67.07 C +ATOM 1371 OG1 THR A 394 23.915 61.229 34.086 1.00 68.14 O +ATOM 1372 CG2 THR A 394 25.334 63.181 33.918 1.00 68.34 C +ATOM 1373 N ALA A 395 27.823 60.490 32.217 1.00 70.62 N +ATOM 1374 CA ALA A 395 28.919 59.528 32.187 1.00 73.39 C +ATOM 1375 C ALA A 395 28.886 58.478 33.290 1.00 74.08 C +ATOM 1376 O ALA A 395 28.357 58.706 34.376 1.00 72.74 O +ATOM 1377 CB ALA A 395 30.252 60.271 32.219 1.00 73.75 C +ATOM 1378 N HIS A 396 29.468 57.322 32.983 1.00 78.42 N +ATOM 1379 CA HIS A 396 29.555 56.189 33.899 1.00 82.15 C +ATOM 1380 C HIS A 396 30.400 55.092 33.258 1.00 83.08 C +ATOM 1381 O HIS A 396 29.913 54.328 32.422 1.00 83.77 O +ATOM 1382 CB HIS A 396 28.164 55.632 34.222 1.00 83.55 C +ATOM 1383 CG HIS A 396 28.196 54.327 34.957 1.00 88.06 C +ATOM 1384 ND1 HIS A 396 28.700 53.171 34.399 1.00 89.55 N +ATOM 1385 CD2 HIS A 396 27.807 53.999 36.212 1.00 89.56 C +ATOM 1386 CE1 HIS A 396 28.620 52.188 35.277 1.00 89.09 C +ATOM 1387 NE2 HIS A 396 28.082 52.663 36.386 1.00 90.16 N +ATOM 1388 N ALA A 397 31.670 55.027 33.647 1.00 83.23 N +ATOM 1389 CA ALA A 397 32.588 54.024 33.119 1.00 83.89 C +ATOM 1390 C ALA A 397 32.601 53.970 31.590 1.00 84.00 C +ATOM 1391 O ALA A 397 32.330 52.926 30.995 1.00 84.56 O +ATOM 1392 CB ALA A 397 32.235 52.655 33.683 1.00 83.45 C +ATOM 1393 N GLY A 398 32.916 55.099 30.962 1.00 84.25 N +ATOM 1394 CA GLY A 398 32.987 55.158 29.511 1.00 81.86 C +ATOM 1395 C GLY A 398 31.670 55.075 28.768 1.00 80.53 C +ATOM 1396 O GLY A 398 31.651 55.016 27.537 1.00 81.57 O +ATOM 1397 N ALA A 399 30.571 55.063 29.512 1.00 77.56 N +ATOM 1398 CA ALA A 399 29.244 54.995 28.920 1.00 73.84 C +ATOM 1399 C ALA A 399 28.375 56.067 29.558 1.00 71.11 C +ATOM 1400 O ALA A 399 28.730 56.639 30.592 1.00 69.14 O +ATOM 1401 CB ALA A 399 28.635 53.621 29.152 1.00 72.33 C +ATOM 1402 N LYS A 400 27.241 56.348 28.931 1.00 66.15 N +ATOM 1403 CA LYS A 400 26.328 57.344 29.456 1.00 60.05 C +ATOM 1404 C LYS A 400 24.945 56.745 29.647 1.00 57.02 C +ATOM 1405 O LYS A 400 24.494 55.930 28.843 1.00 51.53 O +ATOM 1406 CB LYS A 400 26.275 58.556 28.529 1.00 63.63 C +ATOM 1407 CG LYS A 400 27.581 59.330 28.493 1.00 65.73 C +ATOM 1408 CD LYS A 400 27.397 60.691 27.858 1.00 71.53 C +ATOM 1409 CE LYS A 400 28.724 61.411 27.712 1.00 76.29 C +ATOM 1410 NZ LYS A 400 28.568 62.736 27.047 1.00 81.43 N +ATOM 1411 N PHE A 401 24.287 57.152 30.729 1.00 53.43 N +ATOM 1412 CA PHE A 401 22.965 56.655 31.066 1.00 54.17 C +ATOM 1413 C PHE A 401 22.039 57.784 31.496 1.00 51.94 C +ATOM 1414 O PHE A 401 22.467 58.735 32.148 1.00 52.64 O +ATOM 1415 CB PHE A 401 23.055 55.647 32.216 1.00 60.83 C +ATOM 1416 CG PHE A 401 24.020 54.522 31.971 1.00 68.33 C +ATOM 1417 CD1 PHE A 401 25.395 54.741 32.000 1.00 72.03 C +ATOM 1418 CD2 PHE A 401 23.552 53.240 31.709 1.00 71.61 C +ATOM 1419 CE1 PHE A 401 26.290 53.699 31.771 1.00 73.29 C +ATOM 1420 CE2 PHE A 401 24.435 52.191 31.479 1.00 73.80 C +ATOM 1421 CZ PHE A 401 25.807 52.420 31.510 1.00 75.20 C +ATOM 1422 N PRO A 402 20.752 57.695 31.126 1.00 47.72 N +ATOM 1423 CA PRO A 402 19.759 58.713 31.488 1.00 43.12 C +ATOM 1424 C PRO A 402 19.310 58.380 32.909 1.00 41.65 C +ATOM 1425 O PRO A 402 18.319 57.672 33.111 1.00 41.87 O +ATOM 1426 CB PRO A 402 18.659 58.497 30.451 1.00 43.24 C +ATOM 1427 CG PRO A 402 18.686 57.006 30.258 1.00 46.92 C +ATOM 1428 CD PRO A 402 20.175 56.690 30.211 1.00 46.81 C +ATOM 1429 N ILE A 403 20.053 58.890 33.888 1.00 39.52 N +ATOM 1430 CA ILE A 403 19.789 58.608 35.296 1.00 37.49 C +ATOM 1431 C ILE A 403 18.335 58.661 35.738 1.00 40.02 C +ATOM 1432 O ILE A 403 17.884 57.790 36.482 1.00 37.28 O +ATOM 1433 CB ILE A 403 20.608 59.546 36.219 1.00 41.72 C +ATOM 1434 CG1 ILE A 403 22.102 59.398 35.925 1.00 41.29 C +ATOM 1435 CG2 ILE A 403 20.355 59.199 37.682 1.00 37.34 C +ATOM 1436 CD1 ILE A 403 22.628 57.993 36.101 1.00 43.36 C +ATOM 1437 N LYS A 404 17.596 59.669 35.283 1.00 38.46 N +ATOM 1438 CA LYS A 404 16.203 59.812 35.694 1.00 39.37 C +ATOM 1439 C LYS A 404 15.211 58.827 35.074 1.00 36.29 C +ATOM 1440 O LYS A 404 14.033 58.824 35.432 1.00 39.06 O +ATOM 1441 CB LYS A 404 15.741 61.250 35.455 1.00 40.02 C +ATOM 1442 CG LYS A 404 16.285 62.230 36.490 1.00 46.10 C +ATOM 1443 CD LYS A 404 15.814 63.651 36.218 1.00 52.97 C +ATOM 1444 CE LYS A 404 16.155 64.576 37.381 1.00 57.06 C +ATOM 1445 NZ LYS A 404 17.596 64.498 37.734 1.00 60.00 N +ATOM 1446 N TRP A 405 15.691 57.999 34.155 1.00 35.32 N +ATOM 1447 CA TRP A 405 14.866 56.992 33.490 1.00 35.99 C +ATOM 1448 C TRP A 405 15.389 55.594 33.845 1.00 41.30 C +ATOM 1449 O TRP A 405 14.809 54.583 33.450 1.00 38.47 O +ATOM 1450 CB TRP A 405 14.940 57.172 31.971 1.00 33.55 C +ATOM 1451 CG TRP A 405 14.043 58.243 31.397 1.00 33.15 C +ATOM 1452 CD1 TRP A 405 12.799 58.067 30.869 1.00 33.65 C +ATOM 1453 CD2 TRP A 405 14.337 59.643 31.273 1.00 33.64 C +ATOM 1454 NE1 TRP A 405 12.299 59.264 30.419 1.00 33.22 N +ATOM 1455 CE2 TRP A 405 13.220 60.249 30.655 1.00 36.16 C +ATOM 1456 CE3 TRP A 405 15.434 60.442 31.622 1.00 30.32 C +ATOM 1457 CZ2 TRP A 405 13.167 61.622 30.378 1.00 33.71 C +ATOM 1458 CZ3 TRP A 405 15.385 61.807 31.346 1.00 33.76 C +ATOM 1459 CH2 TRP A 405 14.258 62.382 30.730 1.00 38.41 C +ATOM 1460 N THR A 406 16.486 55.546 34.597 1.00 41.28 N +ATOM 1461 CA THR A 406 17.111 54.278 34.960 1.00 40.75 C +ATOM 1462 C THR A 406 16.645 53.648 36.271 1.00 41.94 C +ATOM 1463 O THR A 406 16.569 54.311 37.307 1.00 43.75 O +ATOM 1464 CB THR A 406 18.627 54.447 35.004 1.00 38.69 C +ATOM 1465 OG1 THR A 406 19.061 55.089 33.798 1.00 34.99 O +ATOM 1466 CG2 THR A 406 19.312 53.094 35.121 1.00 39.19 C +ATOM 1467 N ALA A 407 16.341 52.353 36.220 1.00 42.11 N +ATOM 1468 CA ALA A 407 15.876 51.629 37.398 1.00 39.06 C +ATOM 1469 C ALA A 407 17.002 51.528 38.428 1.00 40.96 C +ATOM 1470 O ALA A 407 18.180 51.519 38.072 1.00 36.87 O +ATOM 1471 CB ALA A 407 15.401 50.239 37.000 1.00 37.96 C +ATOM 1472 N PRO A 408 16.648 51.460 39.721 1.00 44.10 N +ATOM 1473 CA PRO A 408 17.623 51.360 40.817 1.00 45.53 C +ATOM 1474 C PRO A 408 18.647 50.253 40.586 1.00 46.35 C +ATOM 1475 O PRO A 408 19.855 50.494 40.638 1.00 48.43 O +ATOM 1476 CB PRO A 408 16.743 51.084 42.032 1.00 47.24 C +ATOM 1477 CG PRO A 408 15.485 51.835 41.700 1.00 48.10 C +ATOM 1478 CD PRO A 408 15.271 51.474 40.246 1.00 44.89 C +ATOM 1479 N GLU A 409 18.156 49.044 40.321 1.00 44.60 N +ATOM 1480 CA GLU A 409 19.030 47.900 40.079 1.00 48.75 C +ATOM 1481 C GLU A 409 20.003 48.167 38.932 1.00 48.69 C +ATOM 1482 O GLU A 409 21.115 47.636 38.916 1.00 48.37 O +ATOM 1483 CB GLU A 409 18.203 46.651 39.751 1.00 51.61 C +ATOM 1484 CG GLU A 409 17.441 46.754 38.436 1.00 51.25 C +ATOM 1485 CD GLU A 409 15.962 47.037 38.623 1.00 52.13 C +ATOM 1486 OE1 GLU A 409 15.601 47.781 39.565 1.00 48.09 O +ATOM 1487 OE2 GLU A 409 15.160 46.518 37.813 1.00 50.69 O +ATOM 1488 N SER A 410 19.580 48.983 37.969 1.00 46.21 N +ATOM 1489 CA SER A 410 20.422 49.305 36.819 1.00 46.83 C +ATOM 1490 C SER A 410 21.519 50.298 37.193 1.00 48.01 C +ATOM 1491 O SER A 410 22.639 50.223 36.683 1.00 46.85 O +ATOM 1492 CB SER A 410 19.573 49.884 35.682 1.00 48.84 C +ATOM 1493 OG SER A 410 18.552 48.985 35.284 1.00 50.50 O +ATOM 1494 N LEU A 411 21.187 51.236 38.076 1.00 48.40 N +ATOM 1495 CA LEU A 411 22.152 52.233 38.531 1.00 50.19 C +ATOM 1496 C LEU A 411 23.155 51.569 39.468 1.00 51.28 C +ATOM 1497 O LEU A 411 24.353 51.818 39.389 1.00 51.73 O +ATOM 1498 CB LEU A 411 21.443 53.370 39.280 1.00 47.23 C +ATOM 1499 CG LEU A 411 20.635 54.396 38.476 1.00 48.52 C +ATOM 1500 CD1 LEU A 411 19.878 55.307 39.424 1.00 45.76 C +ATOM 1501 CD2 LEU A 411 21.564 55.211 37.599 1.00 40.71 C +ATOM 1502 N ALA A 412 22.648 50.704 40.341 1.00 54.06 N +ATOM 1503 CA ALA A 412 23.478 50.016 41.320 1.00 58.27 C +ATOM 1504 C ALA A 412 24.247 48.795 40.820 1.00 60.49 C +ATOM 1505 O ALA A 412 25.455 48.692 41.043 1.00 60.92 O +ATOM 1506 CB ALA A 412 22.627 49.625 42.518 1.00 58.21 C +ATOM 1507 N TYR A 413 23.565 47.877 40.140 1.00 59.20 N +ATOM 1508 CA TYR A 413 24.223 46.660 39.672 1.00 58.77 C +ATOM 1509 C TYR A 413 24.433 46.522 38.170 1.00 58.06 C +ATOM 1510 O TYR A 413 24.826 45.457 37.700 1.00 56.71 O +ATOM 1511 CB TYR A 413 23.451 45.440 40.179 1.00 61.91 C +ATOM 1512 CG TYR A 413 23.165 45.491 41.662 1.00 66.69 C +ATOM 1513 CD1 TYR A 413 21.971 46.024 42.145 1.00 67.31 C +ATOM 1514 CD2 TYR A 413 24.109 45.046 42.587 1.00 69.07 C +ATOM 1515 CE1 TYR A 413 21.724 46.114 43.512 1.00 70.56 C +ATOM 1516 CE2 TYR A 413 23.873 45.134 43.955 1.00 71.26 C +ATOM 1517 CZ TYR A 413 22.681 45.669 44.410 1.00 72.53 C +ATOM 1518 OH TYR A 413 22.454 45.769 45.761 1.00 74.20 O +ATOM 1519 N ASN A 414 24.189 47.586 37.416 1.00 57.88 N +ATOM 1520 CA ASN A 414 24.348 47.526 35.966 1.00 57.55 C +ATOM 1521 C ASN A 414 23.517 46.381 35.395 1.00 55.09 C +ATOM 1522 O ASN A 414 23.844 45.822 34.348 1.00 54.13 O +ATOM 1523 CB ASN A 414 25.817 47.322 35.584 1.00 58.44 C +ATOM 1524 CG ASN A 414 26.687 48.501 35.964 1.00 65.24 C +ATOM 1525 OD1 ASN A 414 26.318 49.653 35.739 1.00 69.44 O +ATOM 1526 ND2 ASN A 414 27.857 48.220 36.531 1.00 65.50 N +ATOM 1527 N LYS A 415 22.446 46.029 36.093 1.00 54.46 N +ATOM 1528 CA LYS A 415 21.576 44.957 35.642 1.00 56.97 C +ATOM 1529 C LYS A 415 20.390 45.501 34.849 1.00 57.47 C +ATOM 1530 O LYS A 415 19.530 46.202 35.390 1.00 56.38 O +ATOM 1531 CB LYS A 415 21.059 44.147 36.833 1.00 59.32 C +ATOM 1532 CG LYS A 415 20.088 43.045 36.436 1.00 63.50 C +ATOM 1533 CD LYS A 415 19.573 42.278 37.643 1.00 67.65 C +ATOM 1534 CE LYS A 415 18.531 41.244 37.230 1.00 66.61 C +ATOM 1535 NZ LYS A 415 17.354 41.876 36.568 1.00 65.11 N +ATOM 1536 N PHE A 416 20.356 45.175 33.562 1.00 56.66 N +ATOM 1537 CA PHE A 416 19.270 45.603 32.694 1.00 53.96 C +ATOM 1538 C PHE A 416 18.412 44.412 32.308 1.00 54.00 C +ATOM 1539 O PHE A 416 18.924 43.359 31.924 1.00 53.61 O +ATOM 1540 CB PHE A 416 19.813 46.269 31.429 1.00 54.41 C +ATOM 1541 CG PHE A 416 20.424 47.618 31.668 1.00 57.70 C +ATOM 1542 CD1 PHE A 416 21.669 47.737 32.277 1.00 56.17 C +ATOM 1543 CD2 PHE A 416 19.744 48.776 31.297 1.00 57.60 C +ATOM 1544 CE1 PHE A 416 22.229 48.991 32.513 1.00 56.74 C +ATOM 1545 CE2 PHE A 416 20.294 50.036 31.529 1.00 56.94 C +ATOM 1546 CZ PHE A 416 21.539 50.144 32.138 1.00 58.24 C +ATOM 1547 N SER A 417 17.101 44.582 32.426 1.00 51.25 N +ATOM 1548 CA SER A 417 16.157 43.534 32.073 1.00 48.77 C +ATOM 1549 C SER A 417 14.897 44.210 31.549 1.00 48.47 C +ATOM 1550 O SER A 417 14.837 45.434 31.451 1.00 45.86 O +ATOM 1551 CB SER A 417 15.808 42.685 33.296 1.00 49.71 C +ATOM 1552 OG SER A 417 14.930 43.381 34.164 1.00 49.29 O +ATOM 1553 N ILE A 418 13.891 43.413 31.215 1.00 43.31 N +ATOM 1554 CA ILE A 418 12.647 43.958 30.711 1.00 45.38 C +ATOM 1555 C ILE A 418 11.939 44.685 31.858 1.00 45.20 C +ATOM 1556 O ILE A 418 11.055 45.513 31.635 1.00 46.64 O +ATOM 1557 CB ILE A 418 11.768 42.827 30.117 1.00 42.31 C +ATOM 1558 CG1 ILE A 418 10.594 43.420 29.337 1.00 42.23 C +ATOM 1559 CG2 ILE A 418 11.310 41.895 31.223 1.00 42.45 C +ATOM 1560 CD1 ILE A 418 9.330 43.560 30.145 1.00 47.27 C +ATOM 1561 N LYS A 419 12.354 44.386 33.087 1.00 44.70 N +ATOM 1562 CA LYS A 419 11.783 45.026 34.270 1.00 43.08 C +ATOM 1563 C LYS A 419 12.302 46.456 34.436 1.00 40.19 C +ATOM 1564 O LYS A 419 11.588 47.333 34.929 1.00 40.34 O +ATOM 1565 CB LYS A 419 12.107 44.219 35.528 1.00 45.94 C +ATOM 1566 CG LYS A 419 10.918 43.466 36.103 1.00 47.85 C +ATOM 1567 CD LYS A 419 10.407 42.413 35.149 1.00 45.75 C +ATOM 1568 CE LYS A 419 9.233 41.652 35.748 1.00 51.99 C +ATOM 1569 NZ LYS A 419 8.010 42.483 35.860 1.00 48.56 N +ATOM 1570 N SER A 420 13.546 46.694 34.037 1.00 38.64 N +ATOM 1571 CA SER A 420 14.093 48.039 34.134 1.00 38.24 C +ATOM 1572 C SER A 420 13.471 48.851 32.995 1.00 38.33 C +ATOM 1573 O SER A 420 13.416 50.072 33.055 1.00 37.09 O +ATOM 1574 CB SER A 420 15.622 48.018 34.040 1.00 37.55 C +ATOM 1575 OG SER A 420 16.064 47.495 32.807 1.00 45.22 O +ATOM 1576 N ASP A 421 12.985 48.160 31.963 1.00 39.57 N +ATOM 1577 CA ASP A 421 12.323 48.834 30.846 1.00 36.89 C +ATOM 1578 C ASP A 421 10.957 49.283 31.366 1.00 37.52 C +ATOM 1579 O ASP A 421 10.476 50.360 31.024 1.00 39.28 O +ATOM 1580 CB ASP A 421 12.120 47.889 29.653 1.00 37.33 C +ATOM 1581 CG ASP A 421 13.355 47.768 28.758 1.00 44.45 C +ATOM 1582 OD1 ASP A 421 14.331 48.541 28.917 1.00 41.70 O +ATOM 1583 OD2 ASP A 421 13.334 46.891 27.867 1.00 44.75 O +ATOM 1584 N VAL A 422 10.339 48.445 32.198 1.00 35.54 N +ATOM 1585 CA VAL A 422 9.041 48.767 32.780 1.00 37.62 C +ATOM 1586 C VAL A 422 9.156 50.002 33.678 1.00 36.52 C +ATOM 1587 O VAL A 422 8.260 50.844 33.719 1.00 37.24 O +ATOM 1588 CB VAL A 422 8.491 47.587 33.606 1.00 37.84 C +ATOM 1589 CG1 VAL A 422 7.211 47.998 34.301 1.00 32.64 C +ATOM 1590 CG2 VAL A 422 8.235 46.386 32.692 1.00 35.58 C +ATOM 1591 N TRP A 423 10.262 50.105 34.405 1.00 38.86 N +ATOM 1592 CA TRP A 423 10.477 51.264 35.258 1.00 37.15 C +ATOM 1593 C TRP A 423 10.559 52.489 34.346 1.00 34.30 C +ATOM 1594 O TRP A 423 9.895 53.501 34.583 1.00 34.20 O +ATOM 1595 CB TRP A 423 11.777 51.111 36.054 1.00 38.15 C +ATOM 1596 CG TRP A 423 12.139 52.324 36.877 1.00 42.05 C +ATOM 1597 CD1 TRP A 423 12.578 53.534 36.413 1.00 42.10 C +ATOM 1598 CD2 TRP A 423 12.059 52.447 38.301 1.00 45.14 C +ATOM 1599 NE1 TRP A 423 12.772 54.404 37.462 1.00 40.34 N +ATOM 1600 CE2 TRP A 423 12.462 53.763 38.632 1.00 43.48 C +ATOM 1601 CE3 TRP A 423 11.684 51.572 39.333 1.00 48.85 C +ATOM 1602 CZ2 TRP A 423 12.503 54.227 39.952 1.00 46.14 C +ATOM 1603 CZ3 TRP A 423 11.724 52.033 40.650 1.00 47.77 C +ATOM 1604 CH2 TRP A 423 12.132 53.351 40.945 1.00 50.15 C +ATOM 1605 N ALA A 424 11.370 52.386 33.298 1.00 31.86 N +ATOM 1606 CA ALA A 424 11.533 53.483 32.350 1.00 32.19 C +ATOM 1607 C ALA A 424 10.188 53.856 31.724 1.00 34.24 C +ATOM 1608 O ALA A 424 9.924 55.027 31.433 1.00 34.14 O +ATOM 1609 CB ALA A 424 12.521 53.091 31.270 1.00 26.52 C +ATOM 1610 N PHE A 425 9.334 52.859 31.513 1.00 34.62 N +ATOM 1611 CA PHE A 425 8.021 53.121 30.933 1.00 34.77 C +ATOM 1612 C PHE A 425 7.227 53.981 31.913 1.00 37.90 C +ATOM 1613 O PHE A 425 6.450 54.858 31.515 1.00 36.59 O +ATOM 1614 CB PHE A 425 7.277 51.811 30.672 1.00 36.44 C +ATOM 1615 CG PHE A 425 5.874 52.005 30.190 1.00 37.73 C +ATOM 1616 CD1 PHE A 425 5.620 52.413 28.885 1.00 38.63 C +ATOM 1617 CD2 PHE A 425 4.805 51.809 31.051 1.00 39.30 C +ATOM 1618 CE1 PHE A 425 4.317 52.625 28.443 1.00 40.63 C +ATOM 1619 CE2 PHE A 425 3.496 52.018 30.624 1.00 43.76 C +ATOM 1620 CZ PHE A 425 3.250 52.427 29.315 1.00 42.72 C +ATOM 1621 N GLY A 426 7.424 53.720 33.202 1.00 37.58 N +ATOM 1622 CA GLY A 426 6.734 54.496 34.214 1.00 39.21 C +ATOM 1623 C GLY A 426 7.088 55.967 34.077 1.00 39.52 C +ATOM 1624 O GLY A 426 6.219 56.836 34.149 1.00 39.60 O +ATOM 1625 N VAL A 427 8.371 56.246 33.873 1.00 37.49 N +ATOM 1626 CA VAL A 427 8.834 57.618 33.725 1.00 36.01 C +ATOM 1627 C VAL A 427 8.251 58.210 32.447 1.00 39.10 C +ATOM 1628 O VAL A 427 7.868 59.381 32.408 1.00 40.26 O +ATOM 1629 CB VAL A 427 10.373 57.675 33.662 1.00 35.85 C +ATOM 1630 CG1 VAL A 427 10.840 59.116 33.572 1.00 30.62 C +ATOM 1631 CG2 VAL A 427 10.964 56.991 34.891 1.00 29.87 C +ATOM 1632 N LEU A 428 8.184 57.390 31.402 1.00 38.65 N +ATOM 1633 CA LEU A 428 7.637 57.823 30.123 1.00 38.10 C +ATOM 1634 C LEU A 428 6.183 58.270 30.280 1.00 35.20 C +ATOM 1635 O LEU A 428 5.775 59.292 29.725 1.00 33.35 O +ATOM 1636 CB LEU A 428 7.750 56.682 29.104 1.00 41.13 C +ATOM 1637 CG LEU A 428 7.139 56.833 27.711 1.00 43.82 C +ATOM 1638 CD1 LEU A 428 7.546 58.150 27.082 1.00 47.10 C +ATOM 1639 CD2 LEU A 428 7.594 55.662 26.849 1.00 45.90 C +ATOM 1640 N LEU A 429 5.402 57.504 31.035 1.00 36.01 N +ATOM 1641 CA LEU A 429 4.004 57.851 31.266 1.00 35.51 C +ATOM 1642 C LEU A 429 3.933 59.224 31.913 1.00 35.33 C +ATOM 1643 O LEU A 429 3.032 60.011 31.627 1.00 39.20 O +ATOM 1644 CB LEU A 429 3.341 56.832 32.189 1.00 38.22 C +ATOM 1645 CG LEU A 429 3.140 55.431 31.634 1.00 41.15 C +ATOM 1646 CD1 LEU A 429 2.503 54.565 32.708 1.00 46.70 C +ATOM 1647 CD2 LEU A 429 2.263 55.490 30.388 1.00 46.86 C +ATOM 1648 N TRP A 430 4.892 59.500 32.792 1.00 38.21 N +ATOM 1649 CA TRP A 430 4.962 60.780 33.479 1.00 35.57 C +ATOM 1650 C TRP A 430 5.245 61.879 32.457 1.00 35.43 C +ATOM 1651 O TRP A 430 4.633 62.947 32.504 1.00 34.87 O +ATOM 1652 CB TRP A 430 6.071 60.758 34.533 1.00 38.43 C +ATOM 1653 CG TRP A 430 5.965 61.873 35.527 1.00 39.02 C +ATOM 1654 CD1 TRP A 430 5.230 61.878 36.677 1.00 40.30 C +ATOM 1655 CD2 TRP A 430 6.589 63.160 35.444 1.00 41.17 C +ATOM 1656 NE1 TRP A 430 5.358 63.087 37.317 1.00 43.21 N +ATOM 1657 CE2 TRP A 430 6.185 63.894 36.582 1.00 41.67 C +ATOM 1658 CE3 TRP A 430 7.447 63.767 34.517 1.00 42.63 C +ATOM 1659 CZ2 TRP A 430 6.610 65.204 36.819 1.00 40.56 C +ATOM 1660 CZ3 TRP A 430 7.871 65.074 34.754 1.00 45.45 C +ATOM 1661 CH2 TRP A 430 7.451 65.776 35.896 1.00 44.07 C +ATOM 1662 N GLU A 431 6.178 61.615 31.540 1.00 34.18 N +ATOM 1663 CA GLU A 431 6.523 62.584 30.498 1.00 34.76 C +ATOM 1664 C GLU A 431 5.270 62.882 29.680 1.00 34.72 C +ATOM 1665 O GLU A 431 5.001 64.025 29.315 1.00 37.21 O +ATOM 1666 CB GLU A 431 7.585 62.030 29.535 1.00 33.13 C +ATOM 1667 CG GLU A 431 8.938 61.663 30.131 1.00 37.29 C +ATOM 1668 CD GLU A 431 9.975 61.353 29.047 1.00 38.84 C +ATOM 1669 OE1 GLU A 431 10.473 62.308 28.411 1.00 39.41 O +ATOM 1670 OE2 GLU A 431 10.277 60.159 28.818 1.00 32.01 O +ATOM 1671 N ILE A 432 4.511 61.835 29.384 1.00 34.91 N +ATOM 1672 CA ILE A 432 3.305 61.986 28.589 1.00 35.13 C +ATOM 1673 C ILE A 432 2.227 62.783 29.310 1.00 36.72 C +ATOM 1674 O ILE A 432 1.632 63.691 28.730 1.00 32.80 O +ATOM 1675 CB ILE A 432 2.741 60.612 28.183 1.00 34.79 C +ATOM 1676 CG1 ILE A 432 3.697 59.947 27.182 1.00 31.87 C +ATOM 1677 CG2 ILE A 432 1.336 60.775 27.589 1.00 35.70 C +ATOM 1678 CD1 ILE A 432 3.276 58.570 26.723 1.00 31.54 C +ATOM 1679 N ALA A 433 1.990 62.448 30.574 1.00 36.61 N +ATOM 1680 CA ALA A 433 0.967 63.125 31.363 1.00 39.28 C +ATOM 1681 C ALA A 433 1.280 64.598 31.632 1.00 39.41 C +ATOM 1682 O ALA A 433 0.378 65.378 31.931 1.00 42.51 O +ATOM 1683 CB ALA A 433 0.750 62.381 32.681 1.00 35.07 C +ATOM 1684 N THR A 434 2.548 64.984 31.520 1.00 38.47 N +ATOM 1685 CA THR A 434 2.941 66.373 31.759 1.00 36.09 C +ATOM 1686 C THR A 434 3.198 67.131 30.459 1.00 36.83 C +ATOM 1687 O THR A 434 3.717 68.255 30.478 1.00 35.32 O +ATOM 1688 CB THR A 434 4.227 66.457 32.606 1.00 37.97 C +ATOM 1689 OG1 THR A 434 5.313 65.854 31.885 1.00 38.29 O +ATOM 1690 CG2 THR A 434 4.038 65.741 33.941 1.00 33.07 C +ATOM 1691 N TYR A 435 2.837 66.520 29.335 1.00 34.27 N +ATOM 1692 CA TYR A 435 3.056 67.128 28.027 1.00 34.06 C +ATOM 1693 C TYR A 435 4.544 67.400 27.781 1.00 35.62 C +ATOM 1694 O TYR A 435 4.913 68.434 27.222 1.00 36.56 O +ATOM 1695 CB TYR A 435 2.252 68.433 27.881 1.00 35.56 C +ATOM 1696 CG TYR A 435 0.766 68.217 27.639 1.00 38.61 C +ATOM 1697 CD1 TYR A 435 0.291 67.834 26.381 1.00 37.99 C +ATOM 1698 CD2 TYR A 435 -0.160 68.356 28.675 1.00 36.92 C +ATOM 1699 CE1 TYR A 435 -1.065 67.592 26.160 1.00 34.47 C +ATOM 1700 CE2 TYR A 435 -1.525 68.115 28.463 1.00 35.96 C +ATOM 1701 CZ TYR A 435 -1.964 67.733 27.205 1.00 35.24 C +ATOM 1702 OH TYR A 435 -3.295 67.475 26.993 1.00 39.79 O +ATOM 1703 N GLY A 436 5.400 66.477 28.217 1.00 37.69 N +ATOM 1704 CA GLY A 436 6.827 66.622 27.968 1.00 35.25 C +ATOM 1705 C GLY A 436 7.729 67.295 28.987 1.00 37.09 C +ATOM 1706 O GLY A 436 8.794 67.797 28.618 1.00 38.29 O +ATOM 1707 N MET A 437 7.334 67.317 30.255 1.00 36.04 N +ATOM 1708 CA MET A 437 8.178 67.931 31.276 1.00 42.66 C +ATOM 1709 C MET A 437 9.350 67.028 31.648 1.00 43.80 C +ATOM 1710 O MET A 437 9.289 65.810 31.476 1.00 40.99 O +ATOM 1711 CB MET A 437 7.373 68.233 32.540 1.00 42.12 C +ATOM 1712 CG MET A 437 6.495 69.470 32.451 1.00 52.61 C +ATOM 1713 SD MET A 437 5.628 69.773 34.005 1.00 62.75 S +ATOM 1714 CE MET A 437 7.031 69.998 35.129 1.00 56.43 C +ATOM 1715 N SER A 438 10.415 67.633 32.165 1.00 44.83 N +ATOM 1716 CA SER A 438 11.585 66.877 32.589 1.00 47.44 C +ATOM 1717 C SER A 438 11.317 66.182 33.926 1.00 45.65 C +ATOM 1718 O SER A 438 10.747 66.774 34.839 1.00 47.04 O +ATOM 1719 CB SER A 438 12.793 67.803 32.717 1.00 48.95 C +ATOM 1720 OG SER A 438 13.239 68.209 31.439 1.00 54.56 O +ATOM 1721 N PRO A 439 11.728 64.909 34.050 1.00 43.62 N +ATOM 1722 CA PRO A 439 11.551 64.093 35.259 1.00 44.52 C +ATOM 1723 C PRO A 439 12.269 64.657 36.490 1.00 44.20 C +ATOM 1724 O PRO A 439 13.289 65.326 36.363 1.00 42.70 O +ATOM 1725 CB PRO A 439 12.119 62.733 34.848 1.00 44.46 C +ATOM 1726 CG PRO A 439 11.972 62.720 33.364 1.00 47.78 C +ATOM 1727 CD PRO A 439 12.366 64.121 32.985 1.00 43.99 C +ATOM 1728 N TYR A 440 11.735 64.361 37.675 1.00 47.10 N +ATOM 1729 CA TYR A 440 12.307 64.832 38.938 1.00 48.80 C +ATOM 1730 C TYR A 440 12.828 66.259 38.768 1.00 49.05 C +ATOM 1731 O TYR A 440 14.022 66.526 38.933 1.00 48.86 O +ATOM 1732 CB TYR A 440 13.448 63.906 39.398 1.00 47.73 C +ATOM 1733 CG TYR A 440 13.061 62.440 39.489 1.00 48.42 C +ATOM 1734 CD1 TYR A 440 13.317 61.560 38.429 1.00 47.97 C +ATOM 1735 CD2 TYR A 440 12.396 61.941 40.612 1.00 45.30 C +ATOM 1736 CE1 TYR A 440 12.915 60.221 38.484 1.00 41.00 C +ATOM 1737 CE2 TYR A 440 11.987 60.605 40.676 1.00 46.28 C +ATOM 1738 CZ TYR A 440 12.248 59.752 39.604 1.00 45.44 C +ATOM 1739 OH TYR A 440 11.805 58.448 39.639 1.00 43.80 O +ATOM 1740 N PRO A 441 11.929 67.198 38.433 1.00 48.41 N +ATOM 1741 CA PRO A 441 12.324 68.598 38.239 1.00 50.34 C +ATOM 1742 C PRO A 441 13.065 69.206 39.423 1.00 48.28 C +ATOM 1743 O PRO A 441 12.586 69.166 40.556 1.00 48.33 O +ATOM 1744 CB PRO A 441 10.992 69.298 37.954 1.00 48.09 C +ATOM 1745 CG PRO A 441 9.995 68.447 38.675 1.00 45.60 C +ATOM 1746 CD PRO A 441 10.465 67.052 38.359 1.00 46.52 C +ATOM 1747 N GLY A 442 14.244 69.755 39.150 1.00 48.71 N +ATOM 1748 CA GLY A 442 15.030 70.385 40.196 1.00 50.43 C +ATOM 1749 C GLY A 442 15.978 69.489 40.972 1.00 51.68 C +ATOM 1750 O GLY A 442 17.051 69.932 41.379 1.00 51.04 O +ATOM 1751 N ILE A 443 15.593 68.236 41.185 1.00 51.76 N +ATOM 1752 CA ILE A 443 16.433 67.304 41.928 1.00 54.04 C +ATOM 1753 C ILE A 443 17.711 66.991 41.156 1.00 55.01 C +ATOM 1754 O ILE A 443 17.657 66.615 39.989 1.00 54.64 O +ATOM 1755 CB ILE A 443 15.690 65.973 42.210 1.00 55.82 C +ATOM 1756 CG1 ILE A 443 14.396 66.240 42.979 1.00 55.62 C +ATOM 1757 CG2 ILE A 443 16.572 65.040 43.029 1.00 55.90 C +ATOM 1758 CD1 ILE A 443 13.296 66.851 42.145 1.00 60.24 C +ATOM 1759 N ASP A 444 18.865 67.149 41.799 1.00 57.59 N +ATOM 1760 CA ASP A 444 20.121 66.853 41.119 1.00 60.21 C +ATOM 1761 C ASP A 444 20.326 65.340 41.037 1.00 58.88 C +ATOM 1762 O ASP A 444 19.936 64.593 41.940 1.00 55.56 O +ATOM 1763 CB ASP A 444 21.306 67.531 41.819 1.00 63.81 C +ATOM 1764 CG ASP A 444 21.463 67.099 43.253 1.00 67.75 C +ATOM 1765 OD1 ASP A 444 20.494 67.248 44.025 1.00 74.01 O +ATOM 1766 OD2 ASP A 444 22.559 66.618 43.612 1.00 71.70 O +ATOM 1767 N LEU A 445 20.927 64.911 39.932 1.00 59.30 N +ATOM 1768 CA LEU A 445 21.178 63.505 39.636 1.00 60.86 C +ATOM 1769 C LEU A 445 21.834 62.678 40.737 1.00 59.33 C +ATOM 1770 O LEU A 445 21.427 61.545 40.985 1.00 60.00 O +ATOM 1771 CB LEU A 445 22.012 63.394 38.354 1.00 61.11 C +ATOM 1772 CG LEU A 445 21.340 63.786 37.031 1.00 63.72 C +ATOM 1773 CD1 LEU A 445 20.845 65.219 37.088 1.00 65.24 C +ATOM 1774 CD2 LEU A 445 22.334 63.624 35.896 1.00 63.43 C +ATOM 1775 N SER A 446 22.839 63.243 41.397 1.00 59.98 N +ATOM 1776 CA SER A 446 23.559 62.538 42.452 1.00 57.81 C +ATOM 1777 C SER A 446 22.735 62.143 43.679 1.00 56.34 C +ATOM 1778 O SER A 446 23.181 61.337 44.495 1.00 58.60 O +ATOM 1779 CB SER A 446 24.772 63.365 42.887 1.00 59.32 C +ATOM 1780 OG SER A 446 24.427 64.725 43.064 1.00 59.94 O +ATOM 1781 N GLN A 447 21.535 62.690 43.812 1.00 53.06 N +ATOM 1782 CA GLN A 447 20.702 62.359 44.960 1.00 49.65 C +ATOM 1783 C GLN A 447 19.450 61.555 44.602 1.00 48.00 C +ATOM 1784 O GLN A 447 18.688 61.160 45.487 1.00 50.61 O +ATOM 1785 CB GLN A 447 20.303 63.642 45.695 1.00 52.57 C +ATOM 1786 CG GLN A 447 21.489 64.485 46.156 1.00 51.21 C +ATOM 1787 CD GLN A 447 21.080 65.646 47.048 1.00 51.94 C +ATOM 1788 OE1 GLN A 447 20.466 65.452 48.100 1.00 50.86 O +ATOM 1789 NE2 GLN A 447 21.425 66.861 46.634 1.00 52.10 N +ATOM 1790 N VAL A 448 19.243 61.298 43.313 1.00 45.97 N +ATOM 1791 CA VAL A 448 18.068 60.551 42.868 1.00 46.48 C +ATOM 1792 C VAL A 448 17.956 59.148 43.469 1.00 45.49 C +ATOM 1793 O VAL A 448 16.912 58.785 44.015 1.00 42.49 O +ATOM 1794 CB VAL A 448 18.028 60.440 41.328 1.00 49.22 C +ATOM 1795 CG1 VAL A 448 16.900 59.510 40.899 1.00 50.34 C +ATOM 1796 CG2 VAL A 448 17.812 61.818 40.716 1.00 49.59 C +ATOM 1797 N TYR A 449 19.024 58.364 43.376 1.00 47.29 N +ATOM 1798 CA TYR A 449 19.008 57.005 43.911 1.00 51.96 C +ATOM 1799 C TYR A 449 18.588 56.990 45.380 1.00 53.31 C +ATOM 1800 O TYR A 449 17.585 56.368 45.743 1.00 53.97 O +ATOM 1801 CB TYR A 449 20.387 56.358 43.771 1.00 55.13 C +ATOM 1802 CG TYR A 449 20.403 54.895 44.162 1.00 59.27 C +ATOM 1803 CD1 TYR A 449 20.084 53.900 43.240 1.00 60.22 C +ATOM 1804 CD2 TYR A 449 20.727 54.506 45.459 1.00 61.07 C +ATOM 1805 CE1 TYR A 449 20.091 52.551 43.601 1.00 61.22 C +ATOM 1806 CE2 TYR A 449 20.737 53.164 45.831 1.00 61.46 C +ATOM 1807 CZ TYR A 449 20.420 52.192 44.900 1.00 62.51 C +ATOM 1808 OH TYR A 449 20.442 50.866 45.269 1.00 61.23 O +ATOM 1809 N GLU A 450 19.362 57.678 46.217 1.00 52.82 N +ATOM 1810 CA GLU A 450 19.086 57.756 47.647 1.00 51.29 C +ATOM 1811 C GLU A 450 17.614 58.040 47.914 1.00 49.29 C +ATOM 1812 O GLU A 450 16.995 57.412 48.776 1.00 46.98 O +ATOM 1813 CB GLU A 450 19.952 58.848 48.278 1.00 59.35 C +ATOM 1814 CG GLU A 450 21.437 58.540 48.244 1.00 64.32 C +ATOM 1815 CD GLU A 450 21.842 57.528 49.300 1.00 71.07 C +ATOM 1816 OE1 GLU A 450 22.363 57.945 50.358 1.00 72.58 O +ATOM 1817 OE2 GLU A 450 21.627 56.316 49.079 1.00 74.91 O +ATOM 1818 N LEU A 451 17.058 58.993 47.173 1.00 49.40 N +ATOM 1819 CA LEU A 451 15.654 59.357 47.325 1.00 45.11 C +ATOM 1820 C LEU A 451 14.745 58.187 46.949 1.00 45.53 C +ATOM 1821 O LEU A 451 13.796 57.873 47.672 1.00 42.48 O +ATOM 1822 CB LEU A 451 15.332 60.578 46.457 1.00 45.36 C +ATOM 1823 CG LEU A 451 15.856 61.922 46.977 1.00 46.32 C +ATOM 1824 CD1 LEU A 451 15.806 62.973 45.877 1.00 40.73 C +ATOM 1825 CD2 LEU A 451 15.017 62.350 48.175 1.00 43.04 C +ATOM 1826 N LEU A 452 15.034 57.542 45.820 1.00 46.82 N +ATOM 1827 CA LEU A 452 14.226 56.409 45.380 1.00 47.93 C +ATOM 1828 C LEU A 452 14.308 55.322 46.445 1.00 49.34 C +ATOM 1829 O LEU A 452 13.338 54.609 46.700 1.00 49.13 O +ATOM 1830 CB LEU A 452 14.728 55.878 44.026 1.00 44.58 C +ATOM 1831 CG LEU A 452 14.580 56.813 42.818 1.00 39.32 C +ATOM 1832 CD1 LEU A 452 15.237 56.188 41.601 1.00 41.27 C +ATOM 1833 CD2 LEU A 452 13.108 57.082 42.545 1.00 38.87 C +ATOM 1834 N GLU A 453 15.472 55.214 47.076 1.00 50.89 N +ATOM 1835 CA GLU A 453 15.678 54.228 48.124 1.00 55.27 C +ATOM 1836 C GLU A 453 14.877 54.641 49.351 1.00 56.68 C +ATOM 1837 O GLU A 453 14.348 53.793 50.070 1.00 58.95 O +ATOM 1838 CB GLU A 453 17.161 54.131 48.473 1.00 58.31 C +ATOM 1839 CG GLU A 453 17.497 53.009 49.430 1.00 63.64 C +ATOM 1840 CD GLU A 453 18.983 52.915 49.702 1.00 69.78 C +ATOM 1841 OE1 GLU A 453 19.565 53.911 50.187 1.00 72.96 O +ATOM 1842 OE2 GLU A 453 19.571 51.846 49.431 1.00 72.44 O +ATOM 1843 N LYS A 454 14.792 55.949 49.586 1.00 58.24 N +ATOM 1844 CA LYS A 454 14.036 56.481 50.720 1.00 60.19 C +ATOM 1845 C LYS A 454 12.546 56.395 50.416 1.00 58.87 C +ATOM 1846 O LYS A 454 11.719 56.901 51.171 1.00 58.04 O +ATOM 1847 CB LYS A 454 14.410 57.942 50.987 1.00 63.96 C +ATOM 1848 CG LYS A 454 15.754 58.154 51.664 1.00 65.94 C +ATOM 1849 CD LYS A 454 15.752 57.606 53.078 1.00 68.50 C +ATOM 1850 CE LYS A 454 16.910 58.173 53.882 1.00 70.51 C +ATOM 1851 NZ LYS A 454 18.209 57.996 53.181 1.00 70.82 N +ATOM 1852 N ASP A 455 12.227 55.761 49.289 1.00 58.99 N +ATOM 1853 CA ASP A 455 10.856 55.561 48.830 1.00 57.00 C +ATOM 1854 C ASP A 455 10.197 56.793 48.224 1.00 53.15 C +ATOM 1855 O ASP A 455 8.971 56.882 48.168 1.00 50.26 O +ATOM 1856 CB ASP A 455 9.988 55.014 49.965 1.00 62.26 C +ATOM 1857 CG ASP A 455 10.467 53.664 50.460 1.00 69.37 C +ATOM 1858 OD1 ASP A 455 10.491 52.706 49.656 1.00 72.07 O +ATOM 1859 OD2 ASP A 455 10.825 53.559 51.654 1.00 74.47 O +ATOM 1860 N TYR A 456 11.008 57.743 47.770 1.00 51.81 N +ATOM 1861 CA TYR A 456 10.477 58.947 47.140 1.00 50.56 C +ATOM 1862 C TYR A 456 10.123 58.613 45.694 1.00 50.60 C +ATOM 1863 O TYR A 456 10.835 57.851 45.042 1.00 49.50 O +ATOM 1864 CB TYR A 456 11.514 60.072 47.141 1.00 50.12 C +ATOM 1865 CG TYR A 456 11.021 61.322 46.443 1.00 50.26 C +ATOM 1866 CD1 TYR A 456 10.020 62.111 47.011 1.00 49.01 C +ATOM 1867 CD2 TYR A 456 11.524 61.695 45.199 1.00 52.02 C +ATOM 1868 CE1 TYR A 456 9.530 63.241 46.358 1.00 51.77 C +ATOM 1869 CE2 TYR A 456 11.040 62.827 44.532 1.00 55.56 C +ATOM 1870 CZ TYR A 456 10.043 63.595 45.119 1.00 53.61 C +ATOM 1871 OH TYR A 456 9.571 64.719 44.480 1.00 53.27 O +ATOM 1872 N ARG A 457 9.028 59.185 45.201 1.00 51.78 N +ATOM 1873 CA ARG A 457 8.577 58.963 43.826 1.00 55.14 C +ATOM 1874 C ARG A 457 7.911 60.239 43.318 1.00 56.75 C +ATOM 1875 O ARG A 457 7.426 61.042 44.113 1.00 58.90 O +ATOM 1876 CB ARG A 457 7.573 57.809 43.774 1.00 52.99 C +ATOM 1877 CG ARG A 457 8.137 56.452 44.175 1.00 53.17 C +ATOM 1878 CD ARG A 457 9.058 55.873 43.112 1.00 50.89 C +ATOM 1879 NE ARG A 457 9.477 54.516 43.456 1.00 49.73 N +ATOM 1880 CZ ARG A 457 10.377 54.218 44.389 1.00 50.62 C +ATOM 1881 NH1 ARG A 457 10.972 55.183 45.079 1.00 53.12 N +ATOM 1882 NH2 ARG A 457 10.672 52.952 44.647 1.00 46.08 N +ATOM 1883 N MET A 458 7.884 60.434 42.002 1.00 55.27 N +ATOM 1884 CA MET A 458 7.256 61.632 41.445 1.00 54.03 C +ATOM 1885 C MET A 458 5.763 61.697 41.768 1.00 54.51 C +ATOM 1886 O MET A 458 5.062 60.682 41.753 1.00 52.07 O +ATOM 1887 CB MET A 458 7.461 61.694 39.930 1.00 51.84 C +ATOM 1888 CG MET A 458 8.898 61.980 39.511 1.00 52.53 C +ATOM 1889 SD MET A 458 9.052 62.406 37.756 1.00 50.27 S +ATOM 1890 CE MET A 458 9.185 60.773 37.014 1.00 53.19 C +ATOM 1891 N GLU A 459 5.281 62.899 42.067 1.00 55.54 N +ATOM 1892 CA GLU A 459 3.875 63.099 42.404 1.00 60.21 C +ATOM 1893 C GLU A 459 2.999 62.944 41.165 1.00 58.56 C +ATOM 1894 O GLU A 459 3.473 63.070 40.038 1.00 57.22 O +ATOM 1895 CB GLU A 459 3.667 64.499 42.994 1.00 64.10 C +ATOM 1896 CG GLU A 459 3.758 65.605 41.952 1.00 70.85 C +ATOM 1897 CD GLU A 459 3.926 66.984 42.556 1.00 75.29 C +ATOM 1898 OE1 GLU A 459 2.964 67.504 43.158 1.00 81.29 O +ATOM 1899 OE2 GLU A 459 5.033 67.547 42.428 1.00 78.58 O +ATOM 1900 N ARG A 460 1.717 62.680 41.386 1.00 60.05 N +ATOM 1901 CA ARG A 460 0.766 62.524 40.294 1.00 62.94 C +ATOM 1902 C ARG A 460 0.609 63.834 39.530 1.00 64.04 C +ATOM 1903 O ARG A 460 0.169 64.839 40.088 1.00 63.65 O +ATOM 1904 CB ARG A 460 -0.596 62.093 40.836 1.00 63.24 C +ATOM 1905 CG ARG A 460 -1.652 61.901 39.764 1.00 64.84 C +ATOM 1906 CD ARG A 460 -2.975 61.481 40.375 1.00 67.95 C +ATOM 1907 NE ARG A 460 -3.519 62.517 41.248 1.00 70.94 N +ATOM 1908 CZ ARG A 460 -4.041 63.661 40.817 1.00 70.93 C +ATOM 1909 NH1 ARG A 460 -4.098 63.921 39.517 1.00 69.55 N +ATOM 1910 NH2 ARG A 460 -4.503 64.549 41.688 1.00 71.16 N +ATOM 1911 N PRO A 461 0.969 63.838 38.237 1.00 64.18 N +ATOM 1912 CA PRO A 461 0.853 65.049 37.422 1.00 65.75 C +ATOM 1913 C PRO A 461 -0.574 65.580 37.428 1.00 67.05 C +ATOM 1914 O PRO A 461 -1.532 64.809 37.519 1.00 65.35 O +ATOM 1915 CB PRO A 461 1.281 64.574 36.036 1.00 65.02 C +ATOM 1916 CG PRO A 461 2.252 63.478 36.343 1.00 65.94 C +ATOM 1917 CD PRO A 461 1.550 62.735 37.454 1.00 63.92 C +ATOM 1918 N GLU A 462 -0.712 66.897 37.332 1.00 69.32 N +ATOM 1919 CA GLU A 462 -2.026 67.518 37.323 1.00 71.44 C +ATOM 1920 C GLU A 462 -2.838 66.981 36.149 1.00 71.53 C +ATOM 1921 O GLU A 462 -2.349 66.918 35.020 1.00 71.45 O +ATOM 1922 CB GLU A 462 -1.882 69.038 37.216 1.00 75.79 C +ATOM 1923 CG GLU A 462 -3.198 69.798 37.175 1.00 81.37 C +ATOM 1924 CD GLU A 462 -2.995 71.303 37.146 1.00 86.96 C +ATOM 1925 OE1 GLU A 462 -2.254 71.787 36.264 1.00 87.47 O +ATOM 1926 OE2 GLU A 462 -3.577 72.001 38.004 1.00 89.99 O +ATOM 1927 N GLY A 463 -4.075 66.578 36.424 1.00 70.47 N +ATOM 1928 CA GLY A 463 -4.930 66.061 35.370 1.00 70.15 C +ATOM 1929 C GLY A 463 -4.681 64.611 35.000 1.00 68.46 C +ATOM 1930 O GLY A 463 -5.332 64.077 34.101 1.00 68.00 O +ATOM 1931 N CYS A 464 -3.737 63.971 35.681 1.00 67.42 N +ATOM 1932 CA CYS A 464 -3.428 62.573 35.407 1.00 67.39 C +ATOM 1933 C CYS A 464 -4.394 61.658 36.146 1.00 68.10 C +ATOM 1934 O CYS A 464 -4.424 61.635 37.377 1.00 68.74 O +ATOM 1935 CB CYS A 464 -1.998 62.237 35.833 1.00 63.92 C +ATOM 1936 SG CYS A 464 -1.581 60.486 35.645 1.00 61.70 S +ATOM 1937 N PRO A 465 -5.195 60.885 35.400 1.00 69.30 N +ATOM 1938 CA PRO A 465 -6.158 59.970 36.020 1.00 69.97 C +ATOM 1939 C PRO A 465 -5.531 59.083 37.095 1.00 70.99 C +ATOM 1940 O PRO A 465 -4.382 58.655 36.977 1.00 68.49 O +ATOM 1941 CB PRO A 465 -6.703 59.178 34.829 1.00 69.78 C +ATOM 1942 CG PRO A 465 -5.616 59.295 33.792 1.00 70.34 C +ATOM 1943 CD PRO A 465 -5.177 60.718 33.939 1.00 69.14 C +ATOM 1944 N GLU A 466 -6.301 58.820 38.147 1.00 72.81 N +ATOM 1945 CA GLU A 466 -5.842 58.003 39.263 1.00 72.30 C +ATOM 1946 C GLU A 466 -5.333 56.648 38.796 1.00 68.46 C +ATOM 1947 O GLU A 466 -4.277 56.189 39.231 1.00 67.22 O +ATOM 1948 CB GLU A 466 -6.978 57.806 40.269 1.00 76.45 C +ATOM 1949 CG GLU A 466 -6.516 57.838 41.710 1.00 83.68 C +ATOM 1950 CD GLU A 466 -5.793 59.132 42.047 1.00 88.14 C +ATOM 1951 OE1 GLU A 466 -6.403 60.215 41.899 1.00 89.70 O +ATOM 1952 OE2 GLU A 466 -4.613 59.065 42.453 1.00 89.82 O +ATOM 1953 N LYS A 467 -6.092 56.016 37.909 1.00 64.14 N +ATOM 1954 CA LYS A 467 -5.731 54.711 37.371 1.00 62.28 C +ATOM 1955 C LYS A 467 -4.357 54.720 36.704 1.00 59.44 C +ATOM 1956 O LYS A 467 -3.559 53.800 36.894 1.00 55.02 O +ATOM 1957 CB LYS A 467 -6.784 54.257 36.358 1.00 65.80 C +ATOM 1958 CG LYS A 467 -8.020 53.609 36.961 1.00 71.05 C +ATOM 1959 CD LYS A 467 -7.749 52.156 37.320 1.00 75.50 C +ATOM 1960 CE LYS A 467 -9.025 51.435 37.727 1.00 79.99 C +ATOM 1961 NZ LYS A 467 -8.795 49.979 37.971 1.00 80.66 N +ATOM 1962 N VAL A 468 -4.086 55.756 35.916 1.00 55.77 N +ATOM 1963 CA VAL A 468 -2.807 55.852 35.223 1.00 53.01 C +ATOM 1964 C VAL A 468 -1.667 56.073 36.207 1.00 51.09 C +ATOM 1965 O VAL A 468 -0.580 55.532 36.032 1.00 52.05 O +ATOM 1966 CB VAL A 468 -2.821 56.989 34.171 1.00 51.50 C +ATOM 1967 CG1 VAL A 468 -1.442 57.140 33.536 1.00 48.23 C +ATOM 1968 CG2 VAL A 468 -3.846 56.674 33.096 1.00 49.44 C +ATOM 1969 N TYR A 469 -1.915 56.863 37.246 1.00 51.00 N +ATOM 1970 CA TYR A 469 -0.884 57.119 38.243 1.00 50.70 C +ATOM 1971 C TYR A 469 -0.615 55.838 39.029 1.00 50.71 C +ATOM 1972 O TYR A 469 0.519 55.557 39.413 1.00 46.96 O +ATOM 1973 CB TYR A 469 -1.317 58.233 39.197 1.00 49.34 C +ATOM 1974 CG TYR A 469 -0.236 58.625 40.169 1.00 54.37 C +ATOM 1975 CD1 TYR A 469 1.005 59.064 39.712 1.00 53.37 C +ATOM 1976 CD2 TYR A 469 -0.441 58.547 41.547 1.00 56.56 C +ATOM 1977 CE1 TYR A 469 2.015 59.413 40.596 1.00 54.27 C +ATOM 1978 CE2 TYR A 469 0.568 58.898 42.445 1.00 54.26 C +ATOM 1979 CZ TYR A 469 1.795 59.331 41.959 1.00 53.40 C +ATOM 1980 OH TYR A 469 2.808 59.685 42.826 1.00 47.77 O +ATOM 1981 N GLU A 470 -1.670 55.065 39.270 1.00 53.70 N +ATOM 1982 CA GLU A 470 -1.533 53.806 39.991 1.00 56.31 C +ATOM 1983 C GLU A 470 -0.601 52.917 39.185 1.00 53.31 C +ATOM 1984 O GLU A 470 0.196 52.170 39.742 1.00 52.12 O +ATOM 1985 CB GLU A 470 -2.888 53.105 40.132 1.00 62.02 C +ATOM 1986 CG GLU A 470 -3.964 53.919 40.830 1.00 70.36 C +ATOM 1987 CD GLU A 470 -5.311 53.216 40.832 1.00 75.88 C +ATOM 1988 OE1 GLU A 470 -6.308 53.840 41.260 1.00 79.06 O +ATOM 1989 OE2 GLU A 470 -5.372 52.040 40.409 1.00 75.61 O +ATOM 1990 N LEU A 471 -0.714 53.007 37.862 1.00 51.94 N +ATOM 1991 CA LEU A 471 0.115 52.211 36.966 1.00 49.80 C +ATOM 1992 C LEU A 471 1.567 52.667 37.059 1.00 46.47 C +ATOM 1993 O LEU A 471 2.491 51.855 37.025 1.00 47.16 O +ATOM 1994 CB LEU A 471 -0.397 52.345 35.530 1.00 50.15 C +ATOM 1995 CG LEU A 471 -0.529 51.046 34.732 1.00 52.51 C +ATOM 1996 CD1 LEU A 471 -1.283 50.016 35.548 1.00 50.29 C +ATOM 1997 CD2 LEU A 471 -1.260 51.319 33.428 1.00 54.82 C +ATOM 1998 N MET A 472 1.755 53.975 37.187 1.00 46.13 N +ATOM 1999 CA MET A 472 3.083 54.569 37.294 1.00 47.19 C +ATOM 2000 C MET A 472 3.853 54.035 38.504 1.00 48.52 C +ATOM 2001 O MET A 472 5.021 53.650 38.395 1.00 42.21 O +ATOM 2002 CB MET A 472 2.954 56.083 37.422 1.00 46.06 C +ATOM 2003 CG MET A 472 3.520 56.869 36.263 1.00 48.62 C +ATOM 2004 SD MET A 472 3.354 58.628 36.595 1.00 52.19 S +ATOM 2005 CE MET A 472 1.937 59.029 35.602 1.00 49.27 C +ATOM 2006 N ARG A 473 3.192 54.030 39.659 1.00 49.41 N +ATOM 2007 CA ARG A 473 3.805 53.560 40.898 1.00 49.23 C +ATOM 2008 C ARG A 473 4.142 52.072 40.893 1.00 48.68 C +ATOM 2009 O ARG A 473 5.106 51.651 41.539 1.00 45.18 O +ATOM 2010 CB ARG A 473 2.899 53.879 42.088 1.00 52.52 C +ATOM 2011 CG ARG A 473 2.875 55.352 42.475 1.00 55.89 C +ATOM 2012 CD ARG A 473 4.288 55.865 42.716 1.00 61.17 C +ATOM 2013 NE ARG A 473 4.311 57.145 43.418 1.00 68.71 N +ATOM 2014 CZ ARG A 473 4.001 57.299 44.701 1.00 66.63 C +ATOM 2015 NH1 ARG A 473 3.643 56.250 45.430 1.00 67.60 N +ATOM 2016 NH2 ARG A 473 4.053 58.500 45.257 1.00 68.23 N +ATOM 2017 N ALA A 474 3.354 51.278 40.172 1.00 47.04 N +ATOM 2018 CA ALA A 474 3.603 49.842 40.093 1.00 42.73 C +ATOM 2019 C ALA A 474 4.870 49.596 39.273 1.00 46.26 C +ATOM 2020 O ALA A 474 5.603 48.631 39.512 1.00 44.07 O +ATOM 2021 CB ALA A 474 2.417 49.141 39.456 1.00 41.50 C +ATOM 2022 N CYS A 475 5.119 50.475 38.304 1.00 43.71 N +ATOM 2023 CA CYS A 475 6.308 50.368 37.461 1.00 45.05 C +ATOM 2024 C CYS A 475 7.528 50.809 38.253 1.00 43.44 C +ATOM 2025 O CYS A 475 8.655 50.432 37.928 1.00 43.80 O +ATOM 2026 CB CYS A 475 6.188 51.259 36.216 1.00 41.33 C +ATOM 2027 SG CYS A 475 4.878 50.805 35.056 1.00 48.04 S +ATOM 2028 N TRP A 476 7.294 51.608 39.293 1.00 45.82 N +ATOM 2029 CA TRP A 476 8.381 52.119 40.120 1.00 45.18 C +ATOM 2030 C TRP A 476 8.626 51.366 41.433 1.00 49.86 C +ATOM 2031 O TRP A 476 9.133 51.943 42.397 1.00 49.70 O +ATOM 2032 CB TRP A 476 8.159 53.603 40.424 1.00 44.99 C +ATOM 2033 CG TRP A 476 8.132 54.485 39.204 1.00 45.67 C +ATOM 2034 CD1 TRP A 476 8.782 54.274 38.019 1.00 43.46 C +ATOM 2035 CD2 TRP A 476 7.458 55.740 39.072 1.00 45.46 C +ATOM 2036 NE1 TRP A 476 8.552 55.321 37.158 1.00 46.19 N +ATOM 2037 CE2 TRP A 476 7.743 56.236 37.779 1.00 46.04 C +ATOM 2038 CE3 TRP A 476 6.641 56.498 39.922 1.00 44.62 C +ATOM 2039 CZ2 TRP A 476 7.238 57.455 37.316 1.00 44.66 C +ATOM 2040 CZ3 TRP A 476 6.140 57.708 39.461 1.00 47.22 C +ATOM 2041 CH2 TRP A 476 6.441 58.174 38.168 1.00 47.08 C +ATOM 2042 N GLN A 477 8.267 50.087 41.479 1.00 48.85 N +ATOM 2043 CA GLN A 477 8.503 49.287 42.676 1.00 49.78 C +ATOM 2044 C GLN A 477 10.009 49.087 42.766 1.00 50.11 C +ATOM 2045 O GLN A 477 10.665 48.833 41.755 1.00 51.08 O +ATOM 2046 CB GLN A 477 7.811 47.930 42.562 1.00 54.52 C +ATOM 2047 CG GLN A 477 6.297 47.993 42.635 1.00 60.61 C +ATOM 2048 CD GLN A 477 5.800 48.322 44.026 1.00 66.45 C +ATOM 2049 OE1 GLN A 477 6.120 47.626 44.990 1.00 68.24 O +ATOM 2050 NE2 GLN A 477 5.012 49.384 44.139 1.00 69.61 N +ATOM 2051 N TRP A 478 10.563 49.206 43.968 1.00 49.87 N +ATOM 2052 CA TRP A 478 12.001 49.048 44.146 1.00 50.14 C +ATOM 2053 C TRP A 478 12.476 47.691 43.637 1.00 49.59 C +ATOM 2054 O TRP A 478 13.514 47.588 42.977 1.00 46.63 O +ATOM 2055 CB TRP A 478 12.375 49.225 45.624 1.00 48.96 C +ATOM 2056 CG TRP A 478 13.853 49.181 45.879 1.00 48.33 C +ATOM 2057 CD1 TRP A 478 14.586 48.099 46.284 1.00 50.54 C +ATOM 2058 CD2 TRP A 478 14.785 50.256 45.710 1.00 46.98 C +ATOM 2059 NE1 TRP A 478 15.916 48.436 46.377 1.00 47.39 N +ATOM 2060 CE2 TRP A 478 16.066 49.753 46.031 1.00 48.77 C +ATOM 2061 CE3 TRP A 478 14.663 51.596 45.317 1.00 49.23 C +ATOM 2062 CZ2 TRP A 478 17.219 50.546 45.972 1.00 49.11 C +ATOM 2063 CZ3 TRP A 478 15.808 52.384 45.258 1.00 43.38 C +ATOM 2064 CH2 TRP A 478 17.070 51.855 45.585 1.00 48.21 C +ATOM 2065 N ASN A 479 11.706 46.653 43.938 1.00 50.10 N +ATOM 2066 CA ASN A 479 12.042 45.300 43.511 1.00 54.66 C +ATOM 2067 C ASN A 479 11.463 45.063 42.116 1.00 52.30 C +ATOM 2068 O ASN A 479 10.251 45.142 41.921 1.00 54.44 O +ATOM 2069 CB ASN A 479 11.457 44.293 44.511 1.00 59.26 C +ATOM 2070 CG ASN A 479 11.993 42.890 44.311 1.00 65.89 C +ATOM 2071 OD1 ASN A 479 13.041 42.699 43.693 1.00 69.39 O +ATOM 2072 ND2 ASN A 479 11.281 41.899 44.842 1.00 67.31 N +ATOM 2073 N PRO A 480 12.321 44.779 41.122 1.00 53.06 N +ATOM 2074 CA PRO A 480 11.827 44.543 39.761 1.00 52.94 C +ATOM 2075 C PRO A 480 10.774 43.440 39.655 1.00 55.12 C +ATOM 2076 O PRO A 480 9.769 43.594 38.955 1.00 50.26 O +ATOM 2077 CB PRO A 480 13.102 44.218 38.980 1.00 54.23 C +ATOM 2078 CG PRO A 480 14.039 43.692 40.032 1.00 52.53 C +ATOM 2079 CD PRO A 480 13.784 44.627 41.179 1.00 50.98 C +ATOM 2080 N SER A 481 10.994 42.337 40.361 1.00 54.25 N +ATOM 2081 CA SER A 481 10.051 41.228 40.317 1.00 57.76 C +ATOM 2082 C SER A 481 8.648 41.678 40.727 1.00 56.46 C +ATOM 2083 O SER A 481 7.662 41.011 40.415 1.00 53.48 O +ATOM 2084 CB SER A 481 10.515 40.093 41.238 1.00 59.65 C +ATOM 2085 OG SER A 481 10.358 40.444 42.604 1.00 66.29 O +ATOM 2086 N ASP A 482 8.559 42.811 41.418 1.00 54.81 N +ATOM 2087 CA ASP A 482 7.264 43.315 41.861 1.00 55.31 C +ATOM 2088 C ASP A 482 6.592 44.256 40.870 1.00 54.17 C +ATOM 2089 O ASP A 482 5.469 44.705 41.094 1.00 55.08 O +ATOM 2090 CB ASP A 482 7.408 44.004 43.215 1.00 60.59 C +ATOM 2091 CG ASP A 482 7.686 43.020 44.334 1.00 67.73 C +ATOM 2092 OD1 ASP A 482 6.862 42.099 44.523 1.00 69.33 O +ATOM 2093 OD2 ASP A 482 8.722 43.163 45.019 1.00 69.94 O +ATOM 2094 N ARG A 483 7.275 44.550 39.771 1.00 52.29 N +ATOM 2095 CA ARG A 483 6.717 45.433 38.754 1.00 50.35 C +ATOM 2096 C ARG A 483 5.863 44.625 37.790 1.00 50.49 C +ATOM 2097 O ARG A 483 6.206 43.496 37.442 1.00 49.11 O +ATOM 2098 CB ARG A 483 7.838 46.119 37.980 1.00 48.17 C +ATOM 2099 CG ARG A 483 8.717 47.000 38.838 1.00 46.36 C +ATOM 2100 CD ARG A 483 10.010 47.336 38.131 1.00 41.12 C +ATOM 2101 NE ARG A 483 10.938 47.970 39.054 1.00 38.94 N +ATOM 2102 CZ ARG A 483 12.255 47.980 38.899 1.00 41.17 C +ATOM 2103 NH1 ARG A 483 12.804 47.391 37.846 1.00 39.08 N +ATOM 2104 NH2 ARG A 483 13.022 48.565 39.808 1.00 42.46 N +ATOM 2105 N PRO A 484 4.736 45.193 37.342 1.00 49.44 N +ATOM 2106 CA PRO A 484 3.884 44.453 36.410 1.00 48.53 C +ATOM 2107 C PRO A 484 4.629 44.177 35.107 1.00 50.59 C +ATOM 2108 O PRO A 484 5.647 44.811 34.816 1.00 49.27 O +ATOM 2109 CB PRO A 484 2.696 45.389 36.221 1.00 50.39 C +ATOM 2110 CG PRO A 484 3.330 46.751 36.352 1.00 50.26 C +ATOM 2111 CD PRO A 484 4.246 46.569 37.535 1.00 47.87 C +ATOM 2112 N SER A 485 4.138 43.214 34.335 1.00 50.52 N +ATOM 2113 CA SER A 485 4.761 42.886 33.062 1.00 47.40 C +ATOM 2114 C SER A 485 4.077 43.782 32.049 1.00 43.83 C +ATOM 2115 O SER A 485 3.009 44.322 32.325 1.00 44.80 O +ATOM 2116 CB SER A 485 4.519 41.420 32.703 1.00 47.74 C +ATOM 2117 OG SER A 485 3.150 41.190 32.423 1.00 48.21 O +ATOM 2118 N PHE A 486 4.684 43.956 30.883 1.00 42.86 N +ATOM 2119 CA PHE A 486 4.072 44.796 29.871 1.00 41.35 C +ATOM 2120 C PHE A 486 2.752 44.202 29.394 1.00 41.79 C +ATOM 2121 O PHE A 486 1.863 44.923 28.939 1.00 44.98 O +ATOM 2122 CB PHE A 486 5.034 45.008 28.704 1.00 37.43 C +ATOM 2123 CG PHE A 486 6.030 46.105 28.948 1.00 41.81 C +ATOM 2124 CD1 PHE A 486 7.387 45.826 29.041 1.00 39.54 C +ATOM 2125 CD2 PHE A 486 5.602 47.421 29.114 1.00 34.69 C +ATOM 2126 CE1 PHE A 486 8.309 46.841 29.300 1.00 42.42 C +ATOM 2127 CE2 PHE A 486 6.509 48.437 29.372 1.00 36.70 C +ATOM 2128 CZ PHE A 486 7.867 48.150 29.467 1.00 35.48 C +ATOM 2129 N ALA A 487 2.621 42.886 29.511 1.00 45.91 N +ATOM 2130 CA ALA A 487 1.393 42.212 29.117 1.00 49.08 C +ATOM 2131 C ALA A 487 0.266 42.733 30.009 1.00 50.42 C +ATOM 2132 O ALA A 487 -0.830 43.031 29.530 1.00 54.72 O +ATOM 2133 CB ALA A 487 1.547 40.705 29.282 1.00 49.37 C +ATOM 2134 N GLU A 488 0.554 42.853 31.305 1.00 50.50 N +ATOM 2135 CA GLU A 488 -0.413 43.342 32.285 1.00 51.98 C +ATOM 2136 C GLU A 488 -0.651 44.841 32.111 1.00 50.95 C +ATOM 2137 O GLU A 488 -1.780 45.327 32.249 1.00 48.37 O +ATOM 2138 CB GLU A 488 0.097 43.090 33.706 1.00 54.53 C +ATOM 2139 CG GLU A 488 0.665 41.702 33.933 1.00 64.02 C +ATOM 2140 CD GLU A 488 1.279 41.545 35.312 1.00 67.36 C +ATOM 2141 OE1 GLU A 488 2.050 40.583 35.515 1.00 71.68 O +ATOM 2142 OE2 GLU A 488 0.986 42.379 36.197 1.00 71.28 O +ATOM 2143 N ILE A 489 0.422 45.576 31.830 1.00 46.98 N +ATOM 2144 CA ILE A 489 0.314 47.014 31.638 1.00 43.71 C +ATOM 2145 C ILE A 489 -0.578 47.317 30.447 1.00 40.95 C +ATOM 2146 O ILE A 489 -1.479 48.146 30.531 1.00 41.38 O +ATOM 2147 CB ILE A 489 1.691 47.663 31.385 1.00 41.58 C +ATOM 2148 CG1 ILE A 489 2.603 47.441 32.590 1.00 36.52 C +ATOM 2149 CG2 ILE A 489 1.514 49.150 31.108 1.00 41.39 C +ATOM 2150 CD1 ILE A 489 4.004 47.974 32.406 1.00 38.62 C +ATOM 2151 N HIS A 490 -0.323 46.640 29.335 1.00 44.71 N +ATOM 2152 CA HIS A 490 -1.109 46.861 28.125 1.00 48.32 C +ATOM 2153 C HIS A 490 -2.571 46.487 28.329 1.00 48.97 C +ATOM 2154 O HIS A 490 -3.476 47.247 27.973 1.00 49.76 O +ATOM 2155 CB HIS A 490 -0.539 46.055 26.957 1.00 45.31 C +ATOM 2156 CG HIS A 490 -1.270 46.273 25.669 1.00 47.44 C +ATOM 2157 ND1 HIS A 490 -1.239 47.472 24.991 1.00 46.91 N +ATOM 2158 CD2 HIS A 490 -2.090 45.461 24.960 1.00 48.72 C +ATOM 2159 CE1 HIS A 490 -2.009 47.391 23.921 1.00 48.00 C +ATOM 2160 NE2 HIS A 490 -2.538 46.181 23.879 1.00 48.44 N +ATOM 2161 N GLN A 491 -2.795 45.309 28.901 1.00 53.03 N +ATOM 2162 CA GLN A 491 -4.146 44.830 29.156 1.00 56.41 C +ATOM 2163 C GLN A 491 -4.902 45.881 29.959 1.00 55.69 C +ATOM 2164 O GLN A 491 -6.084 46.123 29.728 1.00 57.31 O +ATOM 2165 CB GLN A 491 -4.092 43.506 29.925 1.00 61.22 C +ATOM 2166 CG GLN A 491 -5.275 42.582 29.663 1.00 67.59 C +ATOM 2167 CD GLN A 491 -4.849 41.133 29.482 1.00 72.60 C +ATOM 2168 OE1 GLN A 491 -4.032 40.819 28.613 1.00 74.60 O +ATOM 2169 NE2 GLN A 491 -5.403 40.242 30.300 1.00 74.53 N +ATOM 2170 N ALA A 492 -4.205 46.518 30.893 1.00 55.72 N +ATOM 2171 CA ALA A 492 -4.818 47.545 31.724 1.00 56.83 C +ATOM 2172 C ALA A 492 -5.237 48.751 30.891 1.00 57.34 C +ATOM 2173 O ALA A 492 -6.353 49.250 31.034 1.00 56.86 O +ATOM 2174 CB ALA A 492 -3.850 47.975 32.822 1.00 57.41 C +ATOM 2175 N PHE A 493 -4.346 49.213 30.018 1.00 55.76 N +ATOM 2176 CA PHE A 493 -4.641 50.368 29.178 1.00 57.89 C +ATOM 2177 C PHE A 493 -5.808 50.146 28.228 1.00 61.72 C +ATOM 2178 O PHE A 493 -6.607 51.057 28.006 1.00 62.32 O +ATOM 2179 CB PHE A 493 -3.400 50.786 28.385 1.00 55.29 C +ATOM 2180 CG PHE A 493 -2.491 51.710 29.137 1.00 50.76 C +ATOM 2181 CD1 PHE A 493 -2.892 53.009 29.428 1.00 45.79 C +ATOM 2182 CD2 PHE A 493 -1.246 51.277 29.580 1.00 49.18 C +ATOM 2183 CE1 PHE A 493 -2.065 53.866 30.155 1.00 45.54 C +ATOM 2184 CE2 PHE A 493 -0.413 52.127 30.308 1.00 49.47 C +ATOM 2185 CZ PHE A 493 -0.824 53.422 30.596 1.00 47.31 C +ATOM 2186 N GLU A 494 -5.907 48.948 27.658 1.00 65.64 N +ATOM 2187 CA GLU A 494 -7.010 48.654 26.750 1.00 69.23 C +ATOM 2188 C GLU A 494 -8.303 48.889 27.511 1.00 70.47 C +ATOM 2189 O GLU A 494 -9.170 49.651 27.075 1.00 71.00 O +ATOM 2190 CB GLU A 494 -6.952 47.204 26.264 1.00 69.70 C +ATOM 2191 CG GLU A 494 -5.901 46.953 25.200 1.00 75.75 C +ATOM 2192 CD GLU A 494 -5.937 45.532 24.668 1.00 78.42 C +ATOM 2193 OE1 GLU A 494 -5.707 44.592 25.460 1.00 80.85 O +ATOM 2194 OE2 GLU A 494 -6.196 45.356 23.456 1.00 76.73 O +ATOM 2195 N THR A 495 -8.417 48.232 28.660 1.00 70.96 N +ATOM 2196 CA THR A 495 -9.589 48.369 29.505 1.00 71.99 C +ATOM 2197 C THR A 495 -9.893 49.850 29.673 1.00 74.44 C +ATOM 2198 O THR A 495 -11.007 50.300 29.410 1.00 75.51 O +ATOM 2199 CB THR A 495 -9.344 47.755 30.890 1.00 70.94 C +ATOM 2200 OG1 THR A 495 -8.954 46.385 30.743 1.00 65.92 O +ATOM 2201 CG2 THR A 495 -10.603 47.831 31.735 1.00 71.01 C +ATOM 2202 N MET A 496 -8.886 50.606 30.099 1.00 76.85 N +ATOM 2203 CA MET A 496 -9.048 52.038 30.304 1.00 79.61 C +ATOM 2204 C MET A 496 -9.516 52.779 29.057 1.00 81.95 C +ATOM 2205 O MET A 496 -10.635 53.288 29.022 1.00 83.24 O +ATOM 2206 CB MET A 496 -7.742 52.660 30.807 1.00 77.29 C +ATOM 2207 CG MET A 496 -7.383 52.281 32.231 1.00 76.43 C +ATOM 2208 SD MET A 496 -6.049 53.293 32.904 1.00 74.72 S +ATOM 2209 CE MET A 496 -4.665 52.174 32.781 1.00 75.06 C +ATOM 2210 N PHE A 497 -8.665 52.834 28.037 1.00 84.26 N +ATOM 2211 CA PHE A 497 -8.996 53.538 26.801 1.00 86.46 C +ATOM 2212 C PHE A 497 -10.446 53.364 26.363 1.00 87.59 C +ATOM 2213 O PHE A 497 -11.081 54.320 25.914 1.00 87.20 O +ATOM 2214 CB PHE A 497 -8.060 53.105 25.665 1.00 86.09 C +ATOM 2215 CG PHE A 497 -8.314 53.825 24.367 1.00 86.00 C +ATOM 2216 CD1 PHE A 497 -9.382 53.464 23.550 1.00 86.70 C +ATOM 2217 CD2 PHE A 497 -7.510 54.892 23.981 1.00 85.79 C +ATOM 2218 CE1 PHE A 497 -9.648 54.158 22.369 1.00 86.33 C +ATOM 2219 CE2 PHE A 497 -7.768 55.592 22.803 1.00 86.11 C +ATOM 2220 CZ PHE A 497 -8.840 55.223 21.996 1.00 85.79 C +ATOM 2221 N GLN A 498 -10.971 52.150 26.494 1.00 89.33 N +ATOM 2222 CA GLN A 498 -12.348 51.884 26.097 1.00 90.51 C +ATOM 2223 C GLN A 498 -13.346 52.524 27.059 1.00 90.96 C +ATOM 2224 O GLN A 498 -12.959 52.814 28.209 1.00 90.48 O +ATOM 2225 CB GLN A 498 -12.594 50.376 26.027 1.00 91.08 C +ATOM 2226 CG GLN A 498 -11.708 49.645 25.027 1.00 93.86 C +ATOM 2227 CD GLN A 498 -11.724 50.288 23.651 1.00 95.40 C +ATOM 2228 OE1 GLN A 498 -12.786 50.586 23.103 1.00 97.19 O +ATOM 2229 NE2 GLN A 498 -10.542 50.497 23.082 1.00 95.74 N +TER 2230 GLN A 498 +ATOM 2231 N MET B 225 8.895 115.777 72.069 1.00 66.21 N +ATOM 2232 CA MET B 225 7.964 115.677 73.229 1.00 67.57 C +ATOM 2233 C MET B 225 8.577 116.332 74.473 1.00 67.86 C +ATOM 2234 O MET B 225 9.799 116.348 74.640 1.00 65.18 O +ATOM 2235 CB MET B 225 7.641 114.206 73.505 1.00 69.59 C +ATOM 2236 CG MET B 225 6.364 113.982 74.294 1.00 74.31 C +ATOM 2237 SD MET B 225 5.924 112.234 74.408 1.00 78.96 S +ATOM 2238 CE MET B 225 5.398 111.927 72.771 1.00 75.85 C +ATOM 2239 N ASP B 226 7.720 116.875 75.335 1.00 67.79 N +ATOM 2240 CA ASP B 226 8.152 117.550 76.561 1.00 65.70 C +ATOM 2241 C ASP B 226 8.642 116.583 77.638 1.00 60.19 C +ATOM 2242 O ASP B 226 7.934 115.651 78.012 1.00 58.11 O +ATOM 2243 CB ASP B 226 7.001 118.404 77.109 1.00 72.35 C +ATOM 2244 CG ASP B 226 7.265 118.916 78.515 1.00 77.69 C +ATOM 2245 OD1 ASP B 226 8.325 119.540 78.739 1.00 80.27 O +ATOM 2246 OD2 ASP B 226 6.406 118.698 79.397 1.00 80.93 O +ATOM 2247 N PRO B 227 9.864 116.804 78.156 1.00 57.95 N +ATOM 2248 CA PRO B 227 10.484 115.970 79.194 1.00 56.85 C +ATOM 2249 C PRO B 227 9.616 115.766 80.431 1.00 59.80 C +ATOM 2250 O PRO B 227 9.603 114.682 81.013 1.00 60.52 O +ATOM 2251 CB PRO B 227 11.767 116.724 79.522 1.00 56.20 C +ATOM 2252 CG PRO B 227 12.113 117.376 78.233 1.00 58.49 C +ATOM 2253 CD PRO B 227 10.774 117.891 77.754 1.00 57.18 C +ATOM 2254 N SER B 228 8.899 116.812 80.833 1.00 61.30 N +ATOM 2255 CA SER B 228 8.032 116.744 82.007 1.00 64.43 C +ATOM 2256 C SER B 228 6.834 115.817 81.792 1.00 66.62 C +ATOM 2257 O SER B 228 6.408 115.119 82.714 1.00 66.74 O +ATOM 2258 CB SER B 228 7.537 118.146 82.373 1.00 61.78 C +ATOM 2259 OG SER B 228 8.629 119.010 82.648 1.00 60.05 O +ATOM 2260 N SER B 229 6.299 115.818 80.574 1.00 68.62 N +ATOM 2261 CA SER B 229 5.151 114.985 80.225 1.00 71.77 C +ATOM 2262 C SER B 229 5.192 113.597 80.847 1.00 72.94 C +ATOM 2263 O SER B 229 6.250 112.971 80.936 1.00 73.97 O +ATOM 2264 CB SER B 229 5.040 114.835 78.708 1.00 73.74 C +ATOM 2265 OG SER B 229 4.090 113.836 78.376 1.00 73.66 O +ATOM 2266 N PRO B 230 4.028 113.098 81.287 1.00 74.05 N +ATOM 2267 CA PRO B 230 3.893 111.777 81.908 1.00 73.39 C +ATOM 2268 C PRO B 230 4.091 110.662 80.885 1.00 71.08 C +ATOM 2269 O PRO B 230 4.531 109.563 81.220 1.00 72.24 O +ATOM 2270 CB PRO B 230 2.462 111.792 82.449 1.00 73.99 C +ATOM 2271 CG PRO B 230 2.173 113.250 82.650 1.00 75.89 C +ATOM 2272 CD PRO B 230 2.775 113.861 81.418 1.00 75.12 C +ATOM 2273 N ASN B 231 3.760 110.964 79.635 1.00 68.00 N +ATOM 2274 CA ASN B 231 3.868 110.001 78.549 1.00 66.50 C +ATOM 2275 C ASN B 231 5.108 110.248 77.689 1.00 62.44 C +ATOM 2276 O ASN B 231 5.112 109.945 76.493 1.00 59.31 O +ATOM 2277 CB ASN B 231 2.616 110.086 77.671 1.00 70.63 C +ATOM 2278 CG ASN B 231 1.334 110.071 78.485 1.00 75.81 C +ATOM 2279 OD1 ASN B 231 1.248 109.395 79.513 1.00 78.04 O +ATOM 2280 ND2 ASN B 231 0.331 110.814 78.027 1.00 75.51 N +ATOM 2281 N TYR B 232 6.161 110.794 78.291 1.00 55.60 N +ATOM 2282 CA TYR B 232 7.370 111.079 77.529 1.00 49.85 C +ATOM 2283 C TYR B 232 7.984 109.837 76.889 1.00 45.78 C +ATOM 2284 O TYR B 232 8.133 108.792 77.522 1.00 43.52 O +ATOM 2285 CB TYR B 232 8.434 111.756 78.400 1.00 45.84 C +ATOM 2286 CG TYR B 232 9.658 112.166 77.601 1.00 40.92 C +ATOM 2287 CD1 TYR B 232 9.637 113.299 76.789 1.00 34.85 C +ATOM 2288 CD2 TYR B 232 10.815 111.384 77.608 1.00 39.96 C +ATOM 2289 CE1 TYR B 232 10.738 113.640 75.999 1.00 39.84 C +ATOM 2290 CE2 TYR B 232 11.922 111.719 76.827 1.00 34.61 C +ATOM 2291 CZ TYR B 232 11.876 112.843 76.027 1.00 34.91 C +ATOM 2292 OH TYR B 232 12.964 113.174 75.259 1.00 37.48 O +ATOM 2293 N ASP B 233 8.331 109.970 75.618 1.00 44.38 N +ATOM 2294 CA ASP B 233 8.966 108.899 74.867 1.00 44.16 C +ATOM 2295 C ASP B 233 10.040 109.600 74.057 1.00 41.65 C +ATOM 2296 O ASP B 233 9.730 110.435 73.207 1.00 42.40 O +ATOM 2297 CB ASP B 233 7.971 108.224 73.924 1.00 49.77 C +ATOM 2298 CG ASP B 233 8.572 107.027 73.212 1.00 56.17 C +ATOM 2299 OD1 ASP B 233 9.699 107.150 72.683 1.00 58.30 O +ATOM 2300 OD2 ASP B 233 7.919 105.964 73.178 1.00 59.83 O +ATOM 2301 N LYS B 234 11.299 109.278 74.329 1.00 40.05 N +ATOM 2302 CA LYS B 234 12.409 109.909 73.625 1.00 37.62 C +ATOM 2303 C LYS B 234 12.375 109.653 72.124 1.00 38.66 C +ATOM 2304 O LYS B 234 12.900 110.447 71.343 1.00 41.84 O +ATOM 2305 CB LYS B 234 13.744 109.414 74.195 1.00 39.42 C +ATOM 2306 CG LYS B 234 13.990 107.927 74.006 1.00 38.82 C +ATOM 2307 CD LYS B 234 15.290 107.476 74.663 1.00 43.01 C +ATOM 2308 CE LYS B 234 15.545 105.988 74.421 1.00 41.65 C +ATOM 2309 NZ LYS B 234 16.740 105.477 75.160 1.00 39.76 N +ATOM 2310 N TRP B 235 11.752 108.553 71.713 1.00 38.60 N +ATOM 2311 CA TRP B 235 11.688 108.212 70.294 1.00 38.95 C +ATOM 2312 C TRP B 235 10.681 109.014 69.472 1.00 43.39 C +ATOM 2313 O TRP B 235 10.825 109.136 68.251 1.00 40.63 O +ATOM 2314 CB TRP B 235 11.416 106.717 70.135 1.00 39.35 C +ATOM 2315 CG TRP B 235 12.536 105.863 70.657 1.00 36.65 C +ATOM 2316 CD1 TRP B 235 12.543 105.126 71.807 1.00 35.18 C +ATOM 2317 CD2 TRP B 235 13.819 105.666 70.045 1.00 35.82 C +ATOM 2318 NE1 TRP B 235 13.748 104.479 71.947 1.00 39.42 N +ATOM 2319 CE2 TRP B 235 14.550 104.794 70.879 1.00 36.56 C +ATOM 2320 CE3 TRP B 235 14.420 106.144 68.871 1.00 37.90 C +ATOM 2321 CZ2 TRP B 235 15.861 104.382 70.576 1.00 40.60 C +ATOM 2322 CZ3 TRP B 235 15.722 105.738 68.569 1.00 42.36 C +ATOM 2323 CH2 TRP B 235 16.427 104.863 69.422 1.00 39.02 C +ATOM 2324 N GLU B 236 9.674 109.575 70.133 1.00 43.19 N +ATOM 2325 CA GLU B 236 8.657 110.358 69.437 1.00 43.64 C +ATOM 2326 C GLU B 236 9.267 111.614 68.836 1.00 46.68 C +ATOM 2327 O GLU B 236 10.049 112.300 69.492 1.00 49.88 O +ATOM 2328 CB GLU B 236 7.537 110.738 70.407 1.00 45.36 C +ATOM 2329 CG GLU B 236 6.782 109.542 70.973 1.00 49.21 C +ATOM 2330 CD GLU B 236 5.810 108.933 69.975 1.00 49.72 C +ATOM 2331 OE1 GLU B 236 5.305 107.817 70.230 1.00 50.59 O +ATOM 2332 OE2 GLU B 236 5.544 109.575 68.939 1.00 47.80 O +ATOM 2333 N MET B 237 8.918 111.919 67.588 1.00 48.00 N +ATOM 2334 CA MET B 237 9.457 113.108 66.942 1.00 53.79 C +ATOM 2335 C MET B 237 8.411 113.878 66.142 1.00 55.92 C +ATOM 2336 O MET B 237 7.283 113.419 65.974 1.00 55.89 O +ATOM 2337 CB MET B 237 10.635 112.733 66.039 1.00 55.54 C +ATOM 2338 CG MET B 237 10.258 112.021 64.755 1.00 61.06 C +ATOM 2339 SD MET B 237 11.726 111.575 63.795 1.00 72.12 S +ATOM 2340 CE MET B 237 12.077 113.124 62.956 1.00 70.36 C +ATOM 2341 N GLU B 238 8.798 115.056 65.660 1.00 60.34 N +ATOM 2342 CA GLU B 238 7.913 115.916 64.874 1.00 65.70 C +ATOM 2343 C GLU B 238 7.861 115.421 63.436 1.00 66.78 C +ATOM 2344 O GLU B 238 8.877 115.434 62.740 1.00 66.60 O +ATOM 2345 CB GLU B 238 8.434 117.359 64.871 1.00 68.39 C +ATOM 2346 CG GLU B 238 8.697 117.958 66.243 1.00 74.19 C +ATOM 2347 CD GLU B 238 7.425 118.304 66.991 1.00 78.42 C +ATOM 2348 OE1 GLU B 238 6.625 119.105 66.462 1.00 80.71 O +ATOM 2349 OE2 GLU B 238 7.229 117.779 68.109 1.00 80.67 O +ATOM 2350 N ARG B 239 6.688 114.986 62.984 1.00 68.99 N +ATOM 2351 CA ARG B 239 6.565 114.507 61.613 1.00 70.84 C +ATOM 2352 C ARG B 239 6.873 115.668 60.676 1.00 72.21 C +ATOM 2353 O ARG B 239 7.241 115.470 59.520 1.00 72.86 O +ATOM 2354 CB ARG B 239 5.156 113.977 61.334 1.00 71.10 C +ATOM 2355 CG ARG B 239 4.057 115.022 61.391 1.00 71.72 C +ATOM 2356 CD ARG B 239 2.823 114.543 60.634 1.00 75.66 C +ATOM 2357 NE ARG B 239 2.374 113.226 61.082 1.00 75.65 N +ATOM 2358 CZ ARG B 239 1.909 112.970 62.300 1.00 77.25 C +ATOM 2359 NH1 ARG B 239 1.829 113.941 63.199 1.00 79.32 N +ATOM 2360 NH2 ARG B 239 1.532 111.742 62.623 1.00 78.28 N +ATOM 2361 N THR B 240 6.727 116.882 61.195 1.00 73.37 N +ATOM 2362 CA THR B 240 6.988 118.086 60.419 1.00 73.68 C +ATOM 2363 C THR B 240 8.463 118.164 60.036 1.00 72.58 C +ATOM 2364 O THR B 240 8.812 118.732 59.003 1.00 72.44 O +ATOM 2365 CB THR B 240 6.619 119.346 61.219 1.00 75.13 C +ATOM 2366 OG1 THR B 240 5.297 119.202 61.752 1.00 76.75 O +ATOM 2367 CG2 THR B 240 6.663 120.574 60.325 1.00 76.54 C +ATOM 2368 N ASP B 241 9.326 117.593 60.872 1.00 71.66 N +ATOM 2369 CA ASP B 241 10.762 117.604 60.610 1.00 72.04 C +ATOM 2370 C ASP B 241 11.141 116.703 59.443 1.00 70.12 C +ATOM 2371 O ASP B 241 12.275 116.741 58.966 1.00 67.35 O +ATOM 2372 CB ASP B 241 11.541 117.159 61.852 1.00 75.25 C +ATOM 2373 CG ASP B 241 11.602 118.230 62.922 1.00 78.87 C +ATOM 2374 OD1 ASP B 241 12.329 118.026 63.918 1.00 81.75 O +ATOM 2375 OD2 ASP B 241 10.929 119.273 62.773 1.00 80.99 O +ATOM 2376 N ILE B 242 10.190 115.897 58.981 1.00 68.88 N +ATOM 2377 CA ILE B 242 10.452 114.981 57.879 1.00 67.96 C +ATOM 2378 C ILE B 242 9.691 115.311 56.601 1.00 67.08 C +ATOM 2379 O ILE B 242 8.512 115.652 56.634 1.00 65.82 O +ATOM 2380 CB ILE B 242 10.129 113.534 58.287 1.00 66.15 C +ATOM 2381 CG1 ILE B 242 10.996 113.136 59.481 1.00 67.37 C +ATOM 2382 CG2 ILE B 242 10.376 112.593 57.118 1.00 66.66 C +ATOM 2383 CD1 ILE B 242 10.715 111.752 60.013 1.00 71.69 C +ATOM 2384 N THR B 243 10.387 115.205 55.474 1.00 68.50 N +ATOM 2385 CA THR B 243 9.802 115.472 54.166 1.00 69.57 C +ATOM 2386 C THR B 243 9.489 114.140 53.493 1.00 70.22 C +ATOM 2387 O THR B 243 10.393 113.419 53.074 1.00 69.63 O +ATOM 2388 CB THR B 243 10.778 116.259 53.266 1.00 68.44 C +ATOM 2389 OG1 THR B 243 11.191 117.453 53.940 1.00 69.70 O +ATOM 2390 CG2 THR B 243 10.112 116.628 51.948 1.00 65.71 C +ATOM 2391 N MET B 244 8.205 113.815 53.396 1.00 71.95 N +ATOM 2392 CA MET B 244 7.784 112.567 52.775 1.00 73.94 C +ATOM 2393 C MET B 244 7.834 112.653 51.258 1.00 76.15 C +ATOM 2394 O MET B 244 7.035 113.356 50.640 1.00 77.32 O +ATOM 2395 CB MET B 244 6.367 112.210 53.220 1.00 75.45 C +ATOM 2396 CG MET B 244 6.264 111.845 54.687 1.00 75.93 C +ATOM 2397 SD MET B 244 7.263 110.401 55.070 1.00 78.51 S +ATOM 2398 CE MET B 244 6.086 109.088 54.734 1.00 74.62 C +ATOM 2399 N LYS B 245 8.778 111.930 50.664 1.00 77.00 N +ATOM 2400 CA LYS B 245 8.928 111.917 49.216 1.00 77.87 C +ATOM 2401 C LYS B 245 8.156 110.772 48.561 1.00 78.75 C +ATOM 2402 O LYS B 245 6.967 110.580 48.820 1.00 78.94 O +ATOM 2403 CB LYS B 245 10.408 111.825 48.835 1.00 78.51 C +ATOM 2404 CG LYS B 245 11.189 113.105 49.069 1.00 79.24 C +ATOM 2405 CD LYS B 245 12.524 113.057 48.348 1.00 80.98 C +ATOM 2406 CE LYS B 245 13.213 114.410 48.367 1.00 80.43 C +ATOM 2407 NZ LYS B 245 14.430 114.414 47.509 1.00 79.56 N +ATOM 2408 N HIS B 246 8.850 110.015 47.716 1.00 78.80 N +ATOM 2409 CA HIS B 246 8.260 108.894 46.988 1.00 78.93 C +ATOM 2410 C HIS B 246 8.473 107.565 47.708 1.00 76.59 C +ATOM 2411 O HIS B 246 9.345 107.448 48.566 1.00 75.62 O +ATOM 2412 CB HIS B 246 8.886 108.817 45.595 1.00 81.37 C +ATOM 2413 CG HIS B 246 10.374 108.663 45.620 1.00 84.31 C +ATOM 2414 ND1 HIS B 246 10.995 107.514 46.063 1.00 86.63 N +ATOM 2415 CD2 HIS B 246 11.366 109.529 45.305 1.00 85.67 C +ATOM 2416 CE1 HIS B 246 12.305 107.680 46.021 1.00 86.24 C +ATOM 2417 NE2 HIS B 246 12.557 108.894 45.565 1.00 86.74 N +ATOM 2418 N LYS B 247 7.678 106.561 47.350 1.00 74.17 N +ATOM 2419 CA LYS B 247 7.811 105.249 47.969 1.00 71.63 C +ATOM 2420 C LYS B 247 9.189 104.683 47.676 1.00 71.80 C +ATOM 2421 O LYS B 247 9.811 105.025 46.671 1.00 73.42 O +ATOM 2422 CB LYS B 247 6.728 104.295 47.457 1.00 70.17 C +ATOM 2423 CG LYS B 247 5.330 104.714 47.863 1.00 66.87 C +ATOM 2424 CD LYS B 247 4.318 103.608 47.662 1.00 67.49 C +ATOM 2425 CE LYS B 247 2.946 104.065 48.139 1.00 66.64 C +ATOM 2426 NZ LYS B 247 1.922 102.995 48.044 1.00 61.51 N +ATOM 2427 N LEU B 248 9.665 103.820 48.564 1.00 71.17 N +ATOM 2428 CA LEU B 248 10.979 103.216 48.411 1.00 71.98 C +ATOM 2429 C LEU B 248 10.925 101.924 47.598 1.00 72.91 C +ATOM 2430 O LEU B 248 9.996 101.128 47.742 1.00 72.43 O +ATOM 2431 CB LEU B 248 11.579 102.936 49.790 1.00 70.53 C +ATOM 2432 CG LEU B 248 12.974 103.501 50.055 1.00 71.32 C +ATOM 2433 CD1 LEU B 248 12.996 104.985 49.753 1.00 68.66 C +ATOM 2434 CD2 LEU B 248 13.352 103.251 51.499 1.00 72.48 C +ATOM 2435 N GLY B 249 11.927 101.732 46.743 1.00 73.39 N +ATOM 2436 CA GLY B 249 12.001 100.537 45.920 1.00 75.31 C +ATOM 2437 C GLY B 249 10.809 100.310 45.006 1.00 76.16 C +ATOM 2438 O GLY B 249 10.339 99.180 44.859 1.00 76.55 O +ATOM 2439 N GLY B 250 10.317 101.380 44.390 1.00 75.60 N +ATOM 2440 CA GLY B 250 9.183 101.255 43.492 1.00 75.30 C +ATOM 2441 C GLY B 250 7.924 100.745 44.169 1.00 76.04 C +ATOM 2442 O GLY B 250 6.958 100.371 43.501 1.00 76.64 O +ATOM 2443 N GLY B 251 7.929 100.723 45.497 1.00 74.35 N +ATOM 2444 CA GLY B 251 6.763 100.260 46.227 1.00 72.74 C +ATOM 2445 C GLY B 251 6.818 98.793 46.606 1.00 69.43 C +ATOM 2446 O GLY B 251 5.811 98.216 47.014 1.00 68.41 O +ATOM 2447 N GLN B 252 7.992 98.185 46.475 1.00 68.49 N +ATOM 2448 CA GLN B 252 8.159 96.777 46.817 1.00 68.17 C +ATOM 2449 C GLN B 252 8.086 96.542 48.328 1.00 67.48 C +ATOM 2450 O GLN B 252 7.977 95.399 48.777 1.00 67.41 O +ATOM 2451 CB GLN B 252 9.497 96.256 46.282 1.00 69.08 C +ATOM 2452 CG GLN B 252 10.713 96.994 46.824 1.00 70.66 C +ATOM 2453 CD GLN B 252 12.026 96.398 46.350 1.00 69.75 C +ATOM 2454 OE1 GLN B 252 12.353 95.251 46.664 1.00 72.19 O +ATOM 2455 NE2 GLN B 252 12.788 97.177 45.590 1.00 67.16 N +ATOM 2456 N TYR B 253 8.141 97.620 49.110 1.00 64.75 N +ATOM 2457 CA TYR B 253 8.086 97.501 50.566 1.00 59.57 C +ATOM 2458 C TYR B 253 6.760 97.947 51.168 1.00 58.11 C +ATOM 2459 O TYR B 253 6.618 98.019 52.388 1.00 56.11 O +ATOM 2460 CB TYR B 253 9.213 98.311 51.210 1.00 56.06 C +ATOM 2461 CG TYR B 253 10.596 97.916 50.759 1.00 52.60 C +ATOM 2462 CD1 TYR B 253 11.285 98.674 49.812 1.00 48.80 C +ATOM 2463 CD2 TYR B 253 11.222 96.785 51.281 1.00 52.19 C +ATOM 2464 CE1 TYR B 253 12.559 98.318 49.400 1.00 46.76 C +ATOM 2465 CE2 TYR B 253 12.497 96.420 50.875 1.00 48.94 C +ATOM 2466 CZ TYR B 253 13.161 97.189 49.936 1.00 49.30 C +ATOM 2467 OH TYR B 253 14.423 96.826 49.535 1.00 45.56 O +ATOM 2468 N GLY B 254 5.787 98.246 50.318 1.00 58.14 N +ATOM 2469 CA GLY B 254 4.503 98.690 50.825 1.00 62.23 C +ATOM 2470 C GLY B 254 4.548 100.164 51.178 1.00 65.20 C +ATOM 2471 O GLY B 254 5.215 100.946 50.496 1.00 64.94 O +ATOM 2472 N GLU B 255 3.852 100.547 52.245 1.00 65.59 N +ATOM 2473 CA GLU B 255 3.821 101.945 52.664 1.00 66.67 C +ATOM 2474 C GLU B 255 5.117 102.438 53.303 1.00 64.51 C +ATOM 2475 O GLU B 255 5.122 102.902 54.442 1.00 64.74 O +ATOM 2476 CB GLU B 255 2.653 102.191 53.625 1.00 70.01 C +ATOM 2477 CG GLU B 255 1.289 102.248 52.950 1.00 76.48 C +ATOM 2478 CD GLU B 255 1.206 103.341 51.897 1.00 79.45 C +ATOM 2479 OE1 GLU B 255 1.896 103.224 50.863 1.00 81.48 O +ATOM 2480 OE2 GLU B 255 0.457 104.320 52.106 1.00 79.95 O +ATOM 2481 N VAL B 256 6.214 102.326 52.566 1.00 60.20 N +ATOM 2482 CA VAL B 256 7.505 102.798 53.042 1.00 60.04 C +ATOM 2483 C VAL B 256 7.974 103.826 52.021 1.00 62.34 C +ATOM 2484 O VAL B 256 7.960 103.561 50.818 1.00 62.39 O +ATOM 2485 CB VAL B 256 8.546 101.665 53.131 1.00 56.64 C +ATOM 2486 CG1 VAL B 256 9.869 102.224 53.643 1.00 49.24 C +ATOM 2487 CG2 VAL B 256 8.042 100.563 54.047 1.00 52.11 C +ATOM 2488 N TYR B 257 8.384 104.997 52.496 1.00 62.20 N +ATOM 2489 CA TYR B 257 8.821 106.056 51.597 1.00 64.10 C +ATOM 2490 C TYR B 257 10.240 106.521 51.859 1.00 66.09 C +ATOM 2491 O TYR B 257 10.874 106.120 52.834 1.00 67.69 O +ATOM 2492 CB TYR B 257 7.881 107.258 51.709 1.00 61.84 C +ATOM 2493 CG TYR B 257 6.425 106.931 51.462 1.00 62.96 C +ATOM 2494 CD1 TYR B 257 5.710 106.117 52.342 1.00 62.76 C +ATOM 2495 CD2 TYR B 257 5.760 107.433 50.343 1.00 64.63 C +ATOM 2496 CE1 TYR B 257 4.370 105.811 52.116 1.00 62.33 C +ATOM 2497 CE2 TYR B 257 4.418 107.134 50.107 1.00 64.12 C +ATOM 2498 CZ TYR B 257 3.731 106.324 50.996 1.00 64.59 C +ATOM 2499 OH TYR B 257 2.410 106.026 50.758 1.00 64.89 O +ATOM 2500 N GLU B 258 10.735 107.367 50.966 1.00 68.82 N +ATOM 2501 CA GLU B 258 12.069 107.927 51.100 1.00 72.47 C +ATOM 2502 C GLU B 258 11.837 109.232 51.842 1.00 71.83 C +ATOM 2503 O GLU B 258 11.075 110.081 51.385 1.00 72.87 O +ATOM 2504 CB GLU B 258 12.674 108.199 49.722 1.00 75.28 C +ATOM 2505 CG GLU B 258 14.162 108.490 49.739 1.00 80.56 C +ATOM 2506 CD GLU B 258 14.750 108.566 48.343 1.00 83.66 C +ATOM 2507 OE1 GLU B 258 14.362 109.479 47.585 1.00 86.04 O +ATOM 2508 OE2 GLU B 258 15.594 107.709 48.004 1.00 85.23 O +ATOM 2509 N GLY B 259 12.475 109.388 52.993 1.00 70.86 N +ATOM 2510 CA GLY B 259 12.275 110.600 53.759 1.00 70.19 C +ATOM 2511 C GLY B 259 13.484 111.501 53.865 1.00 69.52 C +ATOM 2512 O GLY B 259 14.629 111.050 53.796 1.00 70.21 O +ATOM 2513 N VAL B 260 13.215 112.792 54.023 1.00 68.06 N +ATOM 2514 CA VAL B 260 14.262 113.790 54.169 1.00 66.55 C +ATOM 2515 C VAL B 260 14.114 114.408 55.549 1.00 65.01 C +ATOM 2516 O VAL B 260 13.159 115.138 55.807 1.00 64.72 O +ATOM 2517 CB VAL B 260 14.138 114.908 53.112 1.00 64.38 C +ATOM 2518 CG1 VAL B 260 15.059 116.060 53.466 1.00 66.78 C +ATOM 2519 CG2 VAL B 260 14.492 114.367 51.736 1.00 64.66 C +ATOM 2520 N TRP B 261 15.051 114.099 56.436 1.00 65.03 N +ATOM 2521 CA TRP B 261 15.018 114.639 57.786 1.00 67.45 C +ATOM 2522 C TRP B 261 15.669 116.021 57.768 1.00 69.87 C +ATOM 2523 O TRP B 261 16.873 116.155 57.996 1.00 68.59 O +ATOM 2524 CB TRP B 261 15.772 113.715 58.745 1.00 66.67 C +ATOM 2525 CG TRP B 261 15.539 114.031 60.192 1.00 69.46 C +ATOM 2526 CD1 TRP B 261 14.827 115.082 60.700 1.00 69.58 C +ATOM 2527 CD2 TRP B 261 16.013 113.287 61.319 1.00 70.80 C +ATOM 2528 NE1 TRP B 261 14.827 115.037 62.072 1.00 71.28 N +ATOM 2529 CE2 TRP B 261 15.548 113.946 62.480 1.00 72.44 C +ATOM 2530 CE3 TRP B 261 16.787 112.128 61.463 1.00 72.28 C +ATOM 2531 CZ2 TRP B 261 15.830 113.482 63.771 1.00 72.51 C +ATOM 2532 CZ3 TRP B 261 17.070 111.666 62.749 1.00 73.18 C +ATOM 2533 CH2 TRP B 261 16.591 112.345 63.885 1.00 73.02 C +ATOM 2534 N LYS B 262 14.854 117.035 57.488 1.00 71.77 N +ATOM 2535 CA LYS B 262 15.285 118.430 57.405 1.00 73.50 C +ATOM 2536 C LYS B 262 16.511 118.806 58.237 1.00 74.86 C +ATOM 2537 O LYS B 262 17.592 119.042 57.697 1.00 74.96 O +ATOM 2538 CB LYS B 262 14.127 119.350 57.794 1.00 73.01 C +ATOM 2539 CG LYS B 262 12.908 119.250 56.896 1.00 72.52 C +ATOM 2540 CD LYS B 262 11.797 120.154 57.403 1.00 71.53 C +ATOM 2541 CE LYS B 262 10.548 120.038 56.551 1.00 72.13 C +ATOM 2542 NZ LYS B 262 9.441 120.875 57.094 1.00 70.39 N +ATOM 2543 N LYS B 263 16.327 118.865 59.551 1.00 75.39 N +ATOM 2544 CA LYS B 263 17.392 119.241 60.475 1.00 76.84 C +ATOM 2545 C LYS B 263 18.788 118.713 60.156 1.00 74.93 C +ATOM 2546 O LYS B 263 19.777 119.397 60.404 1.00 76.29 O +ATOM 2547 CB LYS B 263 17.016 118.829 61.900 1.00 77.94 C +ATOM 2548 CG LYS B 263 15.793 119.545 62.452 1.00 80.50 C +ATOM 2549 CD LYS B 263 15.519 119.136 63.893 1.00 84.34 C +ATOM 2550 CE LYS B 263 15.281 117.635 64.009 1.00 84.81 C +ATOM 2551 NZ LYS B 263 15.065 117.209 65.418 1.00 86.07 N +ATOM 2552 N TYR B 264 18.875 117.505 59.612 1.00 73.15 N +ATOM 2553 CA TYR B 264 20.176 116.923 59.299 1.00 70.67 C +ATOM 2554 C TYR B 264 20.352 116.636 57.815 1.00 67.74 C +ATOM 2555 O TYR B 264 21.359 116.053 57.408 1.00 64.60 O +ATOM 2556 CB TYR B 264 20.377 115.623 60.086 1.00 72.77 C +ATOM 2557 CG TYR B 264 20.176 115.757 61.577 1.00 75.27 C +ATOM 2558 CD1 TYR B 264 18.908 115.991 62.113 1.00 75.71 C +ATOM 2559 CD2 TYR B 264 21.256 115.663 62.455 1.00 77.83 C +ATOM 2560 CE1 TYR B 264 18.720 116.130 63.486 1.00 76.68 C +ATOM 2561 CE2 TYR B 264 21.079 115.799 63.832 1.00 79.24 C +ATOM 2562 CZ TYR B 264 19.809 116.033 64.339 1.00 78.85 C +ATOM 2563 OH TYR B 264 19.632 116.170 65.696 1.00 78.63 O +ATOM 2564 N SER B 265 19.380 117.049 57.007 1.00 66.29 N +ATOM 2565 CA SER B 265 19.440 116.802 55.573 1.00 66.22 C +ATOM 2566 C SER B 265 19.798 115.331 55.362 1.00 64.65 C +ATOM 2567 O SER B 265 20.529 114.980 54.434 1.00 63.05 O +ATOM 2568 CB SER B 265 20.499 117.697 54.920 1.00 68.73 C +ATOM 2569 OG SER B 265 20.178 119.068 55.081 1.00 70.17 O +ATOM 2570 N LEU B 266 19.276 114.479 56.241 1.00 61.41 N +ATOM 2571 CA LEU B 266 19.538 113.048 56.181 1.00 57.93 C +ATOM 2572 C LEU B 266 18.407 112.310 55.468 1.00 57.67 C +ATOM 2573 O LEU B 266 17.225 112.548 55.740 1.00 54.50 O +ATOM 2574 CB LEU B 266 19.683 112.484 57.598 1.00 56.97 C +ATOM 2575 CG LEU B 266 20.673 111.342 57.852 1.00 59.28 C +ATOM 2576 CD1 LEU B 266 20.200 110.555 59.065 1.00 57.02 C +ATOM 2577 CD2 LEU B 266 20.776 110.424 56.643 1.00 58.58 C +ATOM 2578 N THR B 267 18.774 111.420 54.549 1.00 55.26 N +ATOM 2579 CA THR B 267 17.787 110.627 53.828 1.00 52.79 C +ATOM 2580 C THR B 267 17.434 109.441 54.717 1.00 50.47 C +ATOM 2581 O THR B 267 18.314 108.711 55.170 1.00 48.81 O +ATOM 2582 CB THR B 267 18.344 110.108 52.481 1.00 54.23 C +ATOM 2583 OG1 THR B 267 18.532 111.213 51.589 1.00 54.66 O +ATOM 2584 CG2 THR B 267 17.377 109.106 51.842 1.00 53.50 C +ATOM 2585 N VAL B 268 16.147 109.257 54.974 1.00 48.41 N +ATOM 2586 CA VAL B 268 15.701 108.161 55.822 1.00 45.25 C +ATOM 2587 C VAL B 268 14.587 107.362 55.152 1.00 47.86 C +ATOM 2588 O VAL B 268 14.134 107.702 54.056 1.00 44.86 O +ATOM 2589 CB VAL B 268 15.177 108.694 57.175 1.00 44.91 C +ATOM 2590 CG1 VAL B 268 16.252 109.534 57.865 1.00 43.88 C +ATOM 2591 CG2 VAL B 268 13.920 109.517 56.950 1.00 36.94 C +ATOM 2592 N ALA B 269 14.156 106.298 55.825 1.00 47.05 N +ATOM 2593 CA ALA B 269 13.082 105.445 55.336 1.00 47.19 C +ATOM 2594 C ALA B 269 11.943 105.556 56.342 1.00 48.39 C +ATOM 2595 O ALA B 269 12.148 105.370 57.543 1.00 49.56 O +ATOM 2596 CB ALA B 269 13.565 104.002 55.233 1.00 48.87 C +ATOM 2597 N VAL B 270 10.745 105.858 55.857 1.00 48.12 N +ATOM 2598 CA VAL B 270 9.597 106.023 56.742 1.00 49.64 C +ATOM 2599 C VAL B 270 8.441 105.069 56.446 1.00 49.99 C +ATOM 2600 O VAL B 270 7.790 105.174 55.411 1.00 49.78 O +ATOM 2601 CB VAL B 270 9.047 107.467 56.667 1.00 49.44 C +ATOM 2602 CG1 VAL B 270 8.094 107.719 57.826 1.00 49.97 C +ATOM 2603 CG2 VAL B 270 10.195 108.468 56.670 1.00 50.87 C +ATOM 2604 N LYS B 271 8.190 104.143 57.366 1.00 52.05 N +ATOM 2605 CA LYS B 271 7.094 103.191 57.221 1.00 55.06 C +ATOM 2606 C LYS B 271 5.859 103.854 57.822 1.00 57.88 C +ATOM 2607 O LYS B 271 5.951 104.530 58.848 1.00 57.00 O +ATOM 2608 CB LYS B 271 7.409 101.902 57.979 1.00 53.63 C +ATOM 2609 CG LYS B 271 6.390 100.785 57.810 1.00 55.33 C +ATOM 2610 CD LYS B 271 6.731 99.610 58.727 1.00 57.31 C +ATOM 2611 CE LYS B 271 5.854 98.387 58.471 1.00 56.69 C +ATOM 2612 NZ LYS B 271 6.286 97.620 57.269 1.00 56.31 N +ATOM 2613 N THR B 272 4.706 103.665 57.192 1.00 60.22 N +ATOM 2614 CA THR B 272 3.481 104.270 57.693 1.00 61.91 C +ATOM 2615 C THR B 272 2.277 103.361 57.494 1.00 65.00 C +ATOM 2616 O THR B 272 2.417 102.218 57.066 1.00 66.02 O +ATOM 2617 CB THR B 272 3.222 105.626 57.000 1.00 62.24 C +ATOM 2618 OG1 THR B 272 2.027 106.217 57.527 1.00 62.42 O +ATOM 2619 CG2 THR B 272 3.082 105.439 55.499 1.00 60.70 C +ATOM 2620 N LEU B 273 1.096 103.876 57.824 1.00 69.90 N +ATOM 2621 CA LEU B 273 -0.150 103.131 57.683 1.00 74.23 C +ATOM 2622 C LEU B 273 -1.199 103.974 56.968 1.00 78.99 C +ATOM 2623 O LEU B 273 -1.450 105.117 57.351 1.00 78.83 O +ATOM 2624 CB LEU B 273 -0.699 102.735 59.055 1.00 72.19 C +ATOM 2625 CG LEU B 273 0.086 101.748 59.920 1.00 73.70 C +ATOM 2626 CD1 LEU B 273 -0.610 101.601 61.267 1.00 70.32 C +ATOM 2627 CD2 LEU B 273 0.185 100.404 59.215 1.00 70.64 C +ATOM 2628 N LYS B 274 -1.810 103.411 55.929 1.00 85.50 N +ATOM 2629 CA LYS B 274 -2.855 104.118 55.194 1.00 91.76 C +ATOM 2630 C LYS B 274 -4.045 104.161 56.149 1.00 94.47 C +ATOM 2631 O LYS B 274 -3.912 103.771 57.308 1.00 95.87 O +ATOM 2632 CB LYS B 274 -3.224 103.349 53.922 1.00 92.85 C +ATOM 2633 CG LYS B 274 -4.164 104.098 52.990 1.00 96.08 C +ATOM 2634 CD LYS B 274 -4.453 103.299 51.732 1.00 97.23 C +ATOM 2635 CE LYS B 274 -5.304 104.098 50.759 1.00 98.90 C +ATOM 2636 NZ LYS B 274 -5.600 103.325 49.521 1.00100.97 N +ATOM 2637 N GLU B 275 -5.203 104.630 55.697 1.00 97.92 N +ATOM 2638 CA GLU B 275 -6.340 104.657 56.605 1.00100.28 C +ATOM 2639 C GLU B 275 -7.215 103.424 56.425 1.00101.72 C +ATOM 2640 O GLU B 275 -8.150 103.193 57.194 1.00101.97 O +ATOM 2641 CB GLU B 275 -7.164 105.932 56.438 1.00100.43 C +ATOM 2642 CG GLU B 275 -7.997 106.215 57.676 1.00100.24 C +ATOM 2643 CD GLU B 275 -7.191 106.034 58.956 1.00100.38 C +ATOM 2644 OE1 GLU B 275 -6.336 106.895 59.259 1.00 98.84 O +ATOM 2645 OE2 GLU B 275 -7.402 105.016 59.653 1.00100.82 O +ATOM 2646 N ASP B 276 -6.903 102.633 55.403 1.00103.05 N +ATOM 2647 CA ASP B 276 -7.621 101.390 55.156 1.00104.98 C +ATOM 2648 C ASP B 276 -6.941 100.405 56.099 1.00105.15 C +ATOM 2649 O ASP B 276 -7.049 99.186 55.950 1.00105.29 O +ATOM 2650 CB ASP B 276 -7.434 100.930 53.706 1.00106.53 C +ATOM 2651 CG ASP B 276 -8.137 101.831 52.710 1.00107.89 C +ATOM 2652 OD1 ASP B 276 -9.375 101.965 52.800 1.00109.35 O +ATOM 2653 OD2 ASP B 276 -7.454 102.403 51.834 1.00108.37 O +ATOM 2654 N THR B 277 -6.235 100.970 57.075 1.00104.63 N +ATOM 2655 CA THR B 277 -5.487 100.205 58.060 1.00103.55 C +ATOM 2656 C THR B 277 -6.312 99.675 59.221 1.00103.34 C +ATOM 2657 O THR B 277 -7.326 100.252 59.612 1.00102.49 O +ATOM 2658 CB THR B 277 -4.347 101.043 58.659 1.00103.05 C +ATOM 2659 OG1 THR B 277 -3.566 100.226 59.541 1.00101.90 O +ATOM 2660 CG2 THR B 277 -4.915 102.218 59.446 1.00102.80 C +ATOM 2661 N MET B 278 -5.835 98.566 59.770 1.00103.95 N +ATOM 2662 CA MET B 278 -6.448 97.891 60.902 1.00104.51 C +ATOM 2663 C MET B 278 -5.283 97.213 61.612 1.00103.42 C +ATOM 2664 O MET B 278 -5.470 96.346 62.466 1.00103.29 O +ATOM 2665 CB MET B 278 -7.447 96.833 60.425 1.00107.28 C +ATOM 2666 CG MET B 278 -7.691 96.811 58.918 1.00110.25 C +ATOM 2667 SD MET B 278 -6.211 96.432 57.943 1.00113.17 S +ATOM 2668 CE MET B 278 -6.224 94.642 57.973 1.00111.45 C +ATOM 2669 N GLU B 279 -4.076 97.626 61.234 1.00101.14 N +ATOM 2670 CA GLU B 279 -2.840 97.083 61.784 1.00 99.12 C +ATOM 2671 C GLU B 279 -2.216 97.998 62.830 1.00 96.18 C +ATOM 2672 O GLU B 279 -1.084 97.776 63.254 1.00 96.31 O +ATOM 2673 CB GLU B 279 -1.826 96.863 60.658 1.00100.60 C +ATOM 2674 CG GLU B 279 -2.276 95.905 59.573 1.00103.02 C +ATOM 2675 CD GLU B 279 -2.431 94.487 60.079 1.00105.50 C +ATOM 2676 OE1 GLU B 279 -3.335 94.242 60.906 1.00106.49 O +ATOM 2677 OE2 GLU B 279 -1.641 93.616 59.652 1.00107.15 O +ATOM 2678 N VAL B 280 -2.951 99.023 63.246 1.00 92.52 N +ATOM 2679 CA VAL B 280 -2.440 99.969 64.229 1.00 89.59 C +ATOM 2680 C VAL B 280 -1.720 99.314 65.406 1.00 87.63 C +ATOM 2681 O VAL B 280 -0.676 99.797 65.838 1.00 86.63 O +ATOM 2682 CB VAL B 280 -3.566 100.866 64.773 1.00 89.38 C +ATOM 2683 CG1 VAL B 280 -4.129 101.724 63.653 1.00 88.74 C +ATOM 2684 CG2 VAL B 280 -4.659 100.012 65.389 1.00 92.53 C +ATOM 2685 N GLU B 281 -2.266 98.214 65.916 1.00 84.68 N +ATOM 2686 CA GLU B 281 -1.652 97.524 67.047 1.00 82.76 C +ATOM 2687 C GLU B 281 -0.429 96.700 66.659 1.00 79.03 C +ATOM 2688 O GLU B 281 0.555 96.645 67.397 1.00 77.33 O +ATOM 2689 CB GLU B 281 -2.680 96.633 67.748 1.00 86.09 C +ATOM 2690 CG GLU B 281 -3.687 97.417 68.579 1.00 91.22 C +ATOM 2691 CD GLU B 281 -3.029 98.215 69.696 1.00 93.29 C +ATOM 2692 OE1 GLU B 281 -3.727 99.024 70.345 1.00 93.64 O +ATOM 2693 OE2 GLU B 281 -1.814 98.032 69.931 1.00 94.45 O +ATOM 2694 N GLU B 282 -0.496 96.054 65.502 1.00 75.09 N +ATOM 2695 CA GLU B 282 0.618 95.251 65.025 1.00 71.97 C +ATOM 2696 C GLU B 282 1.754 96.212 64.673 1.00 67.60 C +ATOM 2697 O GLU B 282 2.931 95.868 64.765 1.00 64.84 O +ATOM 2698 CB GLU B 282 0.186 94.458 63.791 1.00 76.83 C +ATOM 2699 CG GLU B 282 1.125 93.337 63.389 1.00 83.01 C +ATOM 2700 CD GLU B 282 0.578 92.526 62.225 1.00 88.27 C +ATOM 2701 OE1 GLU B 282 -0.541 91.981 62.353 1.00 89.82 O +ATOM 2702 OE2 GLU B 282 1.266 92.433 61.186 1.00 90.10 O +ATOM 2703 N PHE B 283 1.376 97.424 64.276 1.00 63.09 N +ATOM 2704 CA PHE B 283 2.322 98.473 63.909 1.00 59.37 C +ATOM 2705 C PHE B 283 2.997 98.968 65.185 1.00 57.26 C +ATOM 2706 O PHE B 283 4.224 99.035 65.268 1.00 54.76 O +ATOM 2707 CB PHE B 283 1.581 99.638 63.240 1.00 59.27 C +ATOM 2708 CG PHE B 283 2.486 100.634 62.564 1.00 59.97 C +ATOM 2709 CD1 PHE B 283 3.035 100.360 61.316 1.00 59.46 C +ATOM 2710 CD2 PHE B 283 2.785 101.849 63.173 1.00 60.33 C +ATOM 2711 CE1 PHE B 283 3.867 101.283 60.683 1.00 61.21 C +ATOM 2712 CE2 PHE B 283 3.616 102.775 62.549 1.00 58.23 C +ATOM 2713 CZ PHE B 283 4.157 102.492 61.300 1.00 59.44 C +ATOM 2714 N LEU B 284 2.178 99.301 66.179 1.00 52.71 N +ATOM 2715 CA LEU B 284 2.672 99.792 67.457 1.00 53.35 C +ATOM 2716 C LEU B 284 3.517 98.758 68.195 1.00 53.18 C +ATOM 2717 O LEU B 284 4.391 99.110 68.991 1.00 51.48 O +ATOM 2718 CB LEU B 284 1.499 100.250 68.324 1.00 52.15 C +ATOM 2719 CG LEU B 284 0.780 101.470 67.739 1.00 54.72 C +ATOM 2720 CD1 LEU B 284 -0.474 101.775 68.541 1.00 56.37 C +ATOM 2721 CD2 LEU B 284 1.728 102.662 67.736 1.00 53.48 C +ATOM 2722 N LYS B 285 3.261 97.482 67.931 1.00 51.93 N +ATOM 2723 CA LYS B 285 4.036 96.424 68.563 1.00 53.06 C +ATOM 2724 C LYS B 285 5.415 96.413 67.912 1.00 51.25 C +ATOM 2725 O LYS B 285 6.429 96.187 68.571 1.00 48.02 O +ATOM 2726 CB LYS B 285 3.359 95.066 68.366 1.00 57.20 C +ATOM 2727 CG LYS B 285 4.169 93.888 68.898 1.00 63.69 C +ATOM 2728 CD LYS B 285 4.454 94.027 70.390 1.00 69.42 C +ATOM 2729 CE LYS B 285 5.271 92.849 70.914 1.00 71.42 C +ATOM 2730 NZ LYS B 285 5.522 92.947 72.383 1.00 72.02 N +ATOM 2731 N GLU B 286 5.441 96.664 66.608 1.00 50.09 N +ATOM 2732 CA GLU B 286 6.692 96.695 65.868 1.00 47.74 C +ATOM 2733 C GLU B 286 7.551 97.848 66.389 1.00 45.82 C +ATOM 2734 O GLU B 286 8.749 97.689 66.615 1.00 44.03 O +ATOM 2735 CB GLU B 286 6.427 96.897 64.381 1.00 45.24 C +ATOM 2736 CG GLU B 286 7.589 96.475 63.514 1.00 47.98 C +ATOM 2737 CD GLU B 286 7.484 96.993 62.102 1.00 47.43 C +ATOM 2738 OE1 GLU B 286 6.349 97.191 61.615 1.00 51.18 O +ATOM 2739 OE2 GLU B 286 8.542 97.190 61.473 1.00 47.40 O +ATOM 2740 N ALA B 287 6.928 99.008 66.571 1.00 43.23 N +ATOM 2741 CA ALA B 287 7.629 100.186 67.071 1.00 45.43 C +ATOM 2742 C ALA B 287 8.267 99.875 68.415 1.00 45.06 C +ATOM 2743 O ALA B 287 9.474 100.036 68.593 1.00 44.64 O +ATOM 2744 CB ALA B 287 6.667 101.343 67.215 1.00 41.17 C +ATOM 2745 N ALA B 288 7.444 99.422 69.356 1.00 45.79 N +ATOM 2746 CA ALA B 288 7.909 99.079 70.696 1.00 44.49 C +ATOM 2747 C ALA B 288 9.071 98.091 70.671 1.00 42.85 C +ATOM 2748 O ALA B 288 10.043 98.256 71.404 1.00 43.86 O +ATOM 2749 CB ALA B 288 6.757 98.505 71.517 1.00 43.92 C +ATOM 2750 N VAL B 289 8.966 97.064 69.834 1.00 43.67 N +ATOM 2751 CA VAL B 289 10.015 96.050 69.728 1.00 44.66 C +ATOM 2752 C VAL B 289 11.327 96.640 69.214 1.00 42.18 C +ATOM 2753 O VAL B 289 12.409 96.283 69.683 1.00 41.46 O +ATOM 2754 CB VAL B 289 9.596 94.904 68.774 1.00 48.14 C +ATOM 2755 CG1 VAL B 289 10.755 93.931 68.582 1.00 49.47 C +ATOM 2756 CG2 VAL B 289 8.385 94.176 69.340 1.00 53.04 C +ATOM 2757 N MET B 290 11.229 97.538 68.242 1.00 38.63 N +ATOM 2758 CA MET B 290 12.418 98.157 67.671 1.00 40.62 C +ATOM 2759 C MET B 290 13.174 99.021 68.680 1.00 40.97 C +ATOM 2760 O MET B 290 14.370 99.269 68.521 1.00 41.99 O +ATOM 2761 CB MET B 290 12.032 98.977 66.442 1.00 37.94 C +ATOM 2762 CG MET B 290 11.593 98.114 65.263 1.00 35.51 C +ATOM 2763 SD MET B 290 11.144 99.096 63.826 1.00 40.33 S +ATOM 2764 CE MET B 290 12.791 99.594 63.254 1.00 35.00 C +ATOM 2765 N LYS B 291 12.483 99.458 69.729 1.00 41.50 N +ATOM 2766 CA LYS B 291 13.112 100.278 70.759 1.00 44.03 C +ATOM 2767 C LYS B 291 13.929 99.425 71.730 1.00 44.63 C +ATOM 2768 O LYS B 291 14.753 99.945 72.481 1.00 42.52 O +ATOM 2769 CB LYS B 291 12.046 101.054 71.532 1.00 39.81 C +ATOM 2770 CG LYS B 291 11.191 101.957 70.661 1.00 43.52 C +ATOM 2771 CD LYS B 291 10.009 102.523 71.438 1.00 42.55 C +ATOM 2772 CE LYS B 291 9.118 103.364 70.541 1.00 44.59 C +ATOM 2773 NZ LYS B 291 7.934 103.906 71.265 1.00 46.83 N +ATOM 2774 N GLU B 292 13.709 98.113 71.700 1.00 47.71 N +ATOM 2775 CA GLU B 292 14.409 97.194 72.597 1.00 48.45 C +ATOM 2776 C GLU B 292 15.693 96.641 72.000 1.00 50.15 C +ATOM 2777 O GLU B 292 16.502 96.043 72.711 1.00 50.66 O +ATOM 2778 CB GLU B 292 13.513 96.003 72.958 1.00 50.97 C +ATOM 2779 CG GLU B 292 12.121 96.353 73.442 1.00 57.08 C +ATOM 2780 CD GLU B 292 12.136 97.269 74.644 1.00 64.10 C +ATOM 2781 OE1 GLU B 292 12.947 97.032 75.566 1.00 68.18 O +ATOM 2782 OE2 GLU B 292 11.329 98.222 74.672 1.00 65.90 O +ATOM 2783 N ILE B 293 15.886 96.829 70.699 1.00 47.45 N +ATOM 2784 CA ILE B 293 17.074 96.292 70.062 1.00 48.13 C +ATOM 2785 C ILE B 293 18.024 97.326 69.471 1.00 47.34 C +ATOM 2786 O ILE B 293 17.611 98.315 68.863 1.00 44.83 O +ATOM 2787 CB ILE B 293 16.688 95.251 68.978 1.00 48.96 C +ATOM 2788 CG1 ILE B 293 15.659 95.843 68.018 1.00 47.32 C +ATOM 2789 CG2 ILE B 293 16.112 94.009 69.642 1.00 52.23 C +ATOM 2790 CD1 ILE B 293 15.171 94.864 66.966 1.00 50.69 C +ATOM 2791 N LYS B 294 19.312 97.082 69.675 1.00 45.70 N +ATOM 2792 CA LYS B 294 20.347 97.968 69.176 1.00 48.55 C +ATOM 2793 C LYS B 294 21.572 97.125 68.874 1.00 45.37 C +ATOM 2794 O LYS B 294 22.109 96.456 69.752 1.00 45.93 O +ATOM 2795 CB LYS B 294 20.693 99.034 70.219 1.00 48.34 C +ATOM 2796 CG LYS B 294 21.737 100.024 69.741 1.00 57.58 C +ATOM 2797 CD LYS B 294 22.142 100.990 70.844 1.00 62.78 C +ATOM 2798 CE LYS B 294 23.178 101.980 70.340 1.00 64.80 C +ATOM 2799 NZ LYS B 294 23.707 102.824 71.445 1.00 70.90 N +ATOM 2800 N HIS B 295 22.003 97.155 67.622 1.00 44.78 N +ATOM 2801 CA HIS B 295 23.162 96.386 67.198 1.00 41.63 C +ATOM 2802 C HIS B 295 23.667 97.022 65.915 1.00 39.81 C +ATOM 2803 O HIS B 295 22.876 97.515 65.107 1.00 37.71 O +ATOM 2804 CB HIS B 295 22.761 94.929 66.946 1.00 41.78 C +ATOM 2805 CG HIS B 295 23.920 94.002 66.736 1.00 39.91 C +ATOM 2806 ND1 HIS B 295 24.580 93.891 65.531 1.00 39.97 N +ATOM 2807 CD2 HIS B 295 24.527 93.133 67.578 1.00 38.92 C +ATOM 2808 CE1 HIS B 295 25.538 92.988 65.638 1.00 39.92 C +ATOM 2809 NE2 HIS B 295 25.528 92.513 66.869 1.00 39.29 N +ATOM 2810 N PRO B 296 24.993 97.035 65.712 1.00 38.89 N +ATOM 2811 CA PRO B 296 25.538 97.634 64.492 1.00 40.88 C +ATOM 2812 C PRO B 296 25.086 96.924 63.218 1.00 39.02 C +ATOM 2813 O PRO B 296 25.135 97.496 62.132 1.00 41.49 O +ATOM 2814 CB PRO B 296 27.051 97.555 64.707 1.00 38.73 C +ATOM 2815 CG PRO B 296 27.210 96.383 65.620 1.00 45.47 C +ATOM 2816 CD PRO B 296 26.073 96.561 66.592 1.00 43.33 C +ATOM 2817 N ASN B 297 24.631 95.684 63.351 1.00 36.42 N +ATOM 2818 CA ASN B 297 24.186 94.942 62.183 1.00 38.46 C +ATOM 2819 C ASN B 297 22.679 94.703 62.105 1.00 37.08 C +ATOM 2820 O ASN B 297 22.228 93.770 61.451 1.00 37.87 O +ATOM 2821 CB ASN B 297 24.959 93.625 62.078 1.00 35.04 C +ATOM 2822 CG ASN B 297 26.440 93.849 61.790 1.00 37.96 C +ATOM 2823 OD1 ASN B 297 27.298 93.563 62.623 1.00 41.01 O +ATOM 2824 ND2 ASN B 297 26.739 94.379 60.608 1.00 34.80 N +ATOM 2825 N LEU B 298 21.915 95.563 62.778 1.00 37.90 N +ATOM 2826 CA LEU B 298 20.448 95.528 62.765 1.00 35.52 C +ATOM 2827 C LEU B 298 20.005 96.925 62.335 1.00 37.04 C +ATOM 2828 O LEU B 298 20.478 97.921 62.885 1.00 40.44 O +ATOM 2829 CB LEU B 298 19.885 95.220 64.160 1.00 38.34 C +ATOM 2830 CG LEU B 298 19.834 93.756 64.618 1.00 40.46 C +ATOM 2831 CD1 LEU B 298 19.328 93.686 66.048 1.00 46.77 C +ATOM 2832 CD2 LEU B 298 18.912 92.957 63.699 1.00 43.88 C +ATOM 2833 N VAL B 299 19.112 97.013 61.353 1.00 40.02 N +ATOM 2834 CA VAL B 299 18.660 98.322 60.881 1.00 40.09 C +ATOM 2835 C VAL B 299 18.421 99.236 62.088 1.00 41.93 C +ATOM 2836 O VAL B 299 17.810 98.828 63.074 1.00 39.37 O +ATOM 2837 CB VAL B 299 17.378 98.202 60.013 1.00 43.03 C +ATOM 2838 CG1 VAL B 299 16.186 97.773 60.866 1.00 33.94 C +ATOM 2839 CG2 VAL B 299 17.115 99.518 59.293 1.00 40.22 C +ATOM 2840 N GLN B 300 18.929 100.463 62.006 1.00 41.69 N +ATOM 2841 CA GLN B 300 18.822 101.422 63.101 1.00 42.82 C +ATOM 2842 C GLN B 300 17.542 102.256 63.160 1.00 39.69 C +ATOM 2843 O GLN B 300 17.201 102.974 62.220 1.00 39.77 O +ATOM 2844 CB GLN B 300 20.039 102.358 63.073 1.00 48.28 C +ATOM 2845 CG GLN B 300 20.006 103.482 64.105 1.00 54.40 C +ATOM 2846 CD GLN B 300 21.277 104.319 64.106 1.00 58.81 C +ATOM 2847 OE1 GLN B 300 21.773 104.724 63.051 1.00 60.74 O +ATOM 2848 NE2 GLN B 300 21.805 104.591 65.295 1.00 60.51 N +ATOM 2849 N LEU B 301 16.834 102.153 64.277 1.00 39.92 N +ATOM 2850 CA LEU B 301 15.614 102.925 64.477 1.00 38.27 C +ATOM 2851 C LEU B 301 16.035 104.359 64.781 1.00 39.61 C +ATOM 2852 O LEU B 301 16.908 104.585 65.617 1.00 37.55 O +ATOM 2853 CB LEU B 301 14.817 102.362 65.657 1.00 42.60 C +ATOM 2854 CG LEU B 301 13.647 103.204 66.176 1.00 44.54 C +ATOM 2855 CD1 LEU B 301 12.585 103.330 65.091 1.00 47.25 C +ATOM 2856 CD2 LEU B 301 13.061 102.559 67.430 1.00 42.06 C +ATOM 2857 N LEU B 302 15.422 105.326 64.105 1.00 41.87 N +ATOM 2858 CA LEU B 302 15.766 106.723 64.329 1.00 42.94 C +ATOM 2859 C LEU B 302 14.674 107.459 65.090 1.00 46.38 C +ATOM 2860 O LEU B 302 14.932 108.479 65.731 1.00 47.22 O +ATOM 2861 CB LEU B 302 16.042 107.423 62.996 1.00 40.70 C +ATOM 2862 CG LEU B 302 17.296 106.916 62.279 1.00 40.15 C +ATOM 2863 CD1 LEU B 302 17.503 107.670 60.972 1.00 37.70 C +ATOM 2864 CD2 LEU B 302 18.494 107.100 63.194 1.00 39.61 C +ATOM 2865 N GLY B 303 13.455 106.938 65.024 1.00 46.94 N +ATOM 2866 CA GLY B 303 12.353 107.569 65.723 1.00 45.87 C +ATOM 2867 C GLY B 303 10.998 107.072 65.257 1.00 49.88 C +ATOM 2868 O GLY B 303 10.902 106.227 64.361 1.00 48.56 O +ATOM 2869 N VAL B 304 9.945 107.594 65.877 1.00 47.71 N +ATOM 2870 CA VAL B 304 8.586 107.219 65.523 1.00 48.60 C +ATOM 2871 C VAL B 304 7.653 108.412 65.673 1.00 51.43 C +ATOM 2872 O VAL B 304 8.003 109.426 66.275 1.00 50.21 O +ATOM 2873 CB VAL B 304 8.039 106.089 66.432 1.00 47.34 C +ATOM 2874 CG1 VAL B 304 9.014 104.913 66.472 1.00 42.52 C +ATOM 2875 CG2 VAL B 304 7.776 106.632 67.831 1.00 45.85 C +ATOM 2876 N CYS B 305 6.463 108.270 65.105 1.00 53.91 N +ATOM 2877 CA CYS B 305 5.416 109.275 65.178 1.00 55.79 C +ATOM 2878 C CYS B 305 4.159 108.444 65.383 1.00 59.32 C +ATOM 2879 O CYS B 305 3.495 108.060 64.423 1.00 60.75 O +ATOM 2880 CB CYS B 305 5.321 110.062 63.874 1.00 54.76 C +ATOM 2881 SG CYS B 305 6.755 111.082 63.524 1.00 54.65 S +ATOM 2882 N THR B 306 3.854 108.150 66.642 1.00 63.16 N +ATOM 2883 CA THR B 306 2.700 107.330 66.969 1.00 66.97 C +ATOM 2884 C THR B 306 1.766 107.932 68.012 1.00 69.42 C +ATOM 2885 O THR B 306 1.186 107.214 68.827 1.00 70.15 O +ATOM 2886 CB THR B 306 3.151 105.930 67.435 1.00 66.09 C +ATOM 2887 OG1 THR B 306 4.182 106.060 68.420 1.00 65.74 O +ATOM 2888 CG2 THR B 306 3.688 105.130 66.259 1.00 65.86 C +ATOM 2889 N ARG B 307 1.627 109.252 67.988 1.00 72.21 N +ATOM 2890 CA ARG B 307 0.729 109.934 68.912 1.00 75.89 C +ATOM 2891 C ARG B 307 -0.561 110.230 68.158 1.00 77.84 C +ATOM 2892 O ARG B 307 -1.656 110.158 68.713 1.00 78.89 O +ATOM 2893 CB ARG B 307 1.337 111.249 69.396 1.00 76.46 C +ATOM 2894 CG ARG B 307 2.589 111.102 70.230 1.00 77.44 C +ATOM 2895 CD ARG B 307 2.928 112.426 70.891 1.00 79.57 C +ATOM 2896 NE ARG B 307 1.880 112.857 71.813 1.00 81.27 N +ATOM 2897 CZ ARG B 307 1.521 112.190 72.906 1.00 82.29 C +ATOM 2898 NH1 ARG B 307 2.125 111.051 73.225 1.00 82.63 N +ATOM 2899 NH2 ARG B 307 0.555 112.661 73.681 1.00 82.10 N +ATOM 2900 N GLU B 308 -0.407 110.559 66.880 1.00 78.98 N +ATOM 2901 CA GLU B 308 -1.527 110.877 66.006 1.00 79.65 C +ATOM 2902 C GLU B 308 -1.210 110.376 64.598 1.00 79.06 C +ATOM 2903 O GLU B 308 -0.045 110.289 64.212 1.00 80.11 O +ATOM 2904 CB GLU B 308 -1.754 112.390 65.996 1.00 81.27 C +ATOM 2905 CG GLU B 308 -2.140 112.950 67.358 1.00 85.08 C +ATOM 2906 CD GLU B 308 -1.881 114.440 67.486 1.00 87.37 C +ATOM 2907 OE1 GLU B 308 -0.704 114.849 67.396 1.00 88.19 O +ATOM 2908 OE2 GLU B 308 -2.850 115.202 67.680 1.00 89.48 O +ATOM 2909 N PRO B 309 -2.245 110.023 63.818 1.00 77.47 N +ATOM 2910 CA PRO B 309 -2.054 109.528 62.449 1.00 75.71 C +ATOM 2911 C PRO B 309 -1.594 110.623 61.486 1.00 74.68 C +ATOM 2912 O PRO B 309 -1.889 111.802 61.688 1.00 74.41 O +ATOM 2913 CB PRO B 309 -3.437 108.992 62.081 1.00 77.33 C +ATOM 2914 CG PRO B 309 -4.048 108.650 63.417 1.00 77.12 C +ATOM 2915 CD PRO B 309 -3.637 109.826 64.250 1.00 76.27 C +ATOM 2916 N PRO B 310 -0.864 110.247 60.422 1.00 72.24 N +ATOM 2917 CA PRO B 310 -0.454 108.879 60.077 1.00 70.36 C +ATOM 2918 C PRO B 310 0.753 108.420 60.894 1.00 68.15 C +ATOM 2919 O PRO B 310 1.733 109.155 61.035 1.00 66.86 O +ATOM 2920 CB PRO B 310 -0.113 108.978 58.588 1.00 70.72 C +ATOM 2921 CG PRO B 310 -0.868 110.200 58.123 1.00 73.50 C +ATOM 2922 CD PRO B 310 -0.667 111.143 59.272 1.00 72.48 C +ATOM 2923 N PHE B 311 0.677 107.203 61.423 1.00 63.96 N +ATOM 2924 CA PHE B 311 1.763 106.641 62.219 1.00 60.36 C +ATOM 2925 C PHE B 311 3.029 106.475 61.387 1.00 57.99 C +ATOM 2926 O PHE B 311 2.973 106.026 60.242 1.00 57.75 O +ATOM 2927 CB PHE B 311 1.348 105.284 62.795 1.00 63.83 C +ATOM 2928 CG PHE B 311 0.314 105.372 63.886 1.00 66.15 C +ATOM 2929 CD1 PHE B 311 -0.312 104.223 64.357 1.00 69.44 C +ATOM 2930 CD2 PHE B 311 -0.022 106.596 64.457 1.00 68.86 C +ATOM 2931 CE1 PHE B 311 -1.258 104.291 65.380 1.00 70.64 C +ATOM 2932 CE2 PHE B 311 -0.964 106.673 65.478 1.00 68.35 C +ATOM 2933 CZ PHE B 311 -1.582 105.518 65.939 1.00 68.72 C +ATOM 2934 N TYR B 312 4.167 106.845 61.972 1.00 53.44 N +ATOM 2935 CA TYR B 312 5.462 106.737 61.305 1.00 49.80 C +ATOM 2936 C TYR B 312 6.465 105.915 62.110 1.00 48.42 C +ATOM 2937 O TYR B 312 6.414 105.879 63.339 1.00 47.96 O +ATOM 2938 CB TYR B 312 6.100 108.117 61.106 1.00 53.86 C +ATOM 2939 CG TYR B 312 5.578 108.981 59.978 1.00 56.83 C +ATOM 2940 CD1 TYR B 312 6.218 110.183 59.667 1.00 59.45 C +ATOM 2941 CD2 TYR B 312 4.459 108.619 59.231 1.00 57.92 C +ATOM 2942 CE1 TYR B 312 5.762 111.005 58.645 1.00 62.27 C +ATOM 2943 CE2 TYR B 312 3.986 109.439 58.199 1.00 59.17 C +ATOM 2944 CZ TYR B 312 4.645 110.631 57.913 1.00 64.08 C +ATOM 2945 OH TYR B 312 4.195 111.457 56.904 1.00 63.59 O +ATOM 2946 N ILE B 313 7.377 105.261 61.396 1.00 45.91 N +ATOM 2947 CA ILE B 313 8.470 104.505 61.998 1.00 44.77 C +ATOM 2948 C ILE B 313 9.653 104.811 61.083 1.00 46.30 C +ATOM 2949 O ILE B 313 9.748 104.297 59.966 1.00 45.95 O +ATOM 2950 CB ILE B 313 8.217 102.993 62.042 1.00 43.93 C +ATOM 2951 CG1 ILE B 313 7.037 102.687 62.971 1.00 46.60 C +ATOM 2952 CG2 ILE B 313 9.466 102.286 62.566 1.00 44.15 C +ATOM 2953 CD1 ILE B 313 6.732 101.206 63.129 1.00 44.84 C +ATOM 2954 N ILE B 314 10.532 105.684 61.560 1.00 44.10 N +ATOM 2955 CA ILE B 314 11.687 106.121 60.796 1.00 42.86 C +ATOM 2956 C ILE B 314 12.951 105.361 61.152 1.00 44.59 C +ATOM 2957 O ILE B 314 13.235 105.101 62.325 1.00 43.77 O +ATOM 2958 CB ILE B 314 11.960 107.633 61.014 1.00 43.26 C +ATOM 2959 CG1 ILE B 314 10.709 108.453 60.692 1.00 45.30 C +ATOM 2960 CG2 ILE B 314 13.100 108.094 60.129 1.00 41.20 C +ATOM 2961 CD1 ILE B 314 9.668 108.458 61.800 1.00 49.42 C +ATOM 2962 N THR B 315 13.708 105.008 60.121 1.00 44.97 N +ATOM 2963 CA THR B 315 14.963 104.298 60.297 1.00 43.79 C +ATOM 2964 C THR B 315 15.930 104.879 59.285 1.00 44.37 C +ATOM 2965 O THR B 315 15.540 105.689 58.446 1.00 42.63 O +ATOM 2966 CB THR B 315 14.809 102.788 60.025 1.00 43.24 C +ATOM 2967 OG1 THR B 315 14.610 102.572 58.626 1.00 40.87 O +ATOM 2968 CG2 THR B 315 13.614 102.230 60.788 1.00 42.13 C +ATOM 2969 N GLU B 316 17.190 104.476 59.374 1.00 47.15 N +ATOM 2970 CA GLU B 316 18.205 104.947 58.444 1.00 50.49 C +ATOM 2971 C GLU B 316 17.896 104.412 57.052 1.00 52.53 C +ATOM 2972 O GLU B 316 17.120 103.469 56.903 1.00 52.41 O +ATOM 2973 CB GLU B 316 19.578 104.447 58.878 1.00 50.38 C +ATOM 2974 CG GLU B 316 19.608 102.956 59.131 1.00 52.76 C +ATOM 2975 CD GLU B 316 21.001 102.446 59.414 1.00 55.33 C +ATOM 2976 OE1 GLU B 316 21.128 101.289 59.865 1.00 54.24 O +ATOM 2977 OE2 GLU B 316 21.969 103.201 59.180 1.00 59.39 O +ATOM 2978 N PHE B 317 18.503 105.024 56.039 1.00 53.38 N +ATOM 2979 CA PHE B 317 18.321 104.606 54.652 1.00 54.44 C +ATOM 2980 C PHE B 317 19.639 103.984 54.202 1.00 55.98 C +ATOM 2981 O PHE B 317 20.661 104.665 54.159 1.00 57.86 O +ATOM 2982 CB PHE B 317 18.004 105.815 53.770 1.00 56.09 C +ATOM 2983 CG PHE B 317 17.780 105.473 52.320 1.00 55.20 C +ATOM 2984 CD1 PHE B 317 16.494 105.297 51.824 1.00 58.03 C +ATOM 2985 CD2 PHE B 317 18.856 105.336 51.450 1.00 57.28 C +ATOM 2986 CE1 PHE B 317 16.279 104.991 50.479 1.00 60.12 C +ATOM 2987 CE2 PHE B 317 18.654 105.030 50.104 1.00 59.44 C +ATOM 2988 CZ PHE B 317 17.363 104.858 49.617 1.00 57.35 C +ATOM 2989 N MET B 318 19.620 102.695 53.880 1.00 55.18 N +ATOM 2990 CA MET B 318 20.831 102.004 53.447 1.00 55.11 C +ATOM 2991 C MET B 318 21.102 102.259 51.965 1.00 54.30 C +ATOM 2992 O MET B 318 20.317 101.876 51.098 1.00 53.04 O +ATOM 2993 CB MET B 318 20.702 100.503 53.713 1.00 58.18 C +ATOM 2994 CG MET B 318 20.524 100.140 55.185 1.00 60.90 C +ATOM 2995 SD MET B 318 21.896 100.667 56.221 1.00 63.63 S +ATOM 2996 CE MET B 318 23.154 99.492 55.734 1.00 63.35 C +ATOM 2997 N THR B 319 22.231 102.901 51.689 1.00 53.53 N +ATOM 2998 CA THR B 319 22.636 103.262 50.332 1.00 52.80 C +ATOM 2999 C THR B 319 22.333 102.283 49.191 1.00 50.74 C +ATOM 3000 O THR B 319 21.649 102.643 48.233 1.00 47.84 O +ATOM 3001 CB THR B 319 24.149 103.582 50.283 1.00 56.49 C +ATOM 3002 OG1 THR B 319 24.452 104.623 51.220 1.00 55.62 O +ATOM 3003 CG2 THR B 319 24.554 104.036 48.881 1.00 56.51 C +ATOM 3004 N TYR B 320 22.823 101.050 49.294 1.00 48.18 N +ATOM 3005 CA TYR B 320 22.644 100.081 48.215 1.00 48.42 C +ATOM 3006 C TYR B 320 21.425 99.155 48.175 1.00 47.26 C +ATOM 3007 O TYR B 320 21.452 98.144 47.478 1.00 46.18 O +ATOM 3008 CB TYR B 320 23.918 99.240 48.079 1.00 52.04 C +ATOM 3009 CG TYR B 320 25.153 100.071 47.792 1.00 57.47 C +ATOM 3010 CD1 TYR B 320 25.736 100.848 48.789 1.00 60.26 C +ATOM 3011 CD2 TYR B 320 25.721 100.102 46.517 1.00 61.19 C +ATOM 3012 CE1 TYR B 320 26.855 101.640 48.528 1.00 64.21 C +ATOM 3013 CE2 TYR B 320 26.844 100.891 46.245 1.00 63.56 C +ATOM 3014 CZ TYR B 320 27.402 101.656 47.259 1.00 63.08 C +ATOM 3015 OH TYR B 320 28.506 102.436 47.015 1.00 65.46 O +ATOM 3016 N GLY B 321 20.362 99.490 48.901 1.00 44.85 N +ATOM 3017 CA GLY B 321 19.162 98.663 48.871 1.00 44.07 C +ATOM 3018 C GLY B 321 19.242 97.295 49.527 1.00 40.43 C +ATOM 3019 O GLY B 321 20.138 97.034 50.323 1.00 40.92 O +ATOM 3020 N ASN B 322 18.303 96.413 49.193 1.00 41.21 N +ATOM 3021 CA ASN B 322 18.284 95.080 49.789 1.00 40.96 C +ATOM 3022 C ASN B 322 19.392 94.170 49.257 1.00 39.30 C +ATOM 3023 O ASN B 322 19.801 94.266 48.095 1.00 36.04 O +ATOM 3024 CB ASN B 322 16.907 94.426 49.597 1.00 44.57 C +ATOM 3025 CG ASN B 322 16.743 93.780 48.236 1.00 48.29 C +ATOM 3026 OD1 ASN B 322 17.335 92.732 47.953 1.00 42.76 O +ATOM 3027 ND2 ASN B 322 15.932 94.399 47.384 1.00 47.94 N +ATOM 3028 N LEU B 323 19.857 93.280 50.128 1.00 36.11 N +ATOM 3029 CA LEU B 323 20.935 92.348 49.826 1.00 40.45 C +ATOM 3030 C LEU B 323 20.690 91.415 48.641 1.00 43.61 C +ATOM 3031 O LEU B 323 21.619 91.108 47.895 1.00 43.91 O +ATOM 3032 CB LEU B 323 21.249 91.513 51.069 1.00 39.01 C +ATOM 3033 CG LEU B 323 22.407 90.523 50.966 1.00 40.68 C +ATOM 3034 CD1 LEU B 323 23.714 91.274 50.715 1.00 41.15 C +ATOM 3035 CD2 LEU B 323 22.484 89.709 52.250 1.00 38.09 C +ATOM 3036 N LEU B 324 19.455 90.958 48.466 1.00 43.66 N +ATOM 3037 CA LEU B 324 19.156 90.055 47.361 1.00 43.80 C +ATOM 3038 C LEU B 324 19.513 90.715 46.035 1.00 45.76 C +ATOM 3039 O LEU B 324 20.338 90.195 45.282 1.00 44.41 O +ATOM 3040 CB LEU B 324 17.676 89.648 47.362 1.00 40.04 C +ATOM 3041 CG LEU B 324 17.278 88.702 46.217 1.00 43.07 C +ATOM 3042 CD1 LEU B 324 18.294 87.583 46.100 1.00 40.87 C +ATOM 3043 CD2 LEU B 324 15.895 88.131 46.465 1.00 38.63 C +ATOM 3044 N ASP B 325 18.894 91.858 45.754 1.00 44.48 N +ATOM 3045 CA ASP B 325 19.165 92.586 44.520 1.00 45.85 C +ATOM 3046 C ASP B 325 20.630 93.008 44.407 1.00 46.19 C +ATOM 3047 O ASP B 325 21.212 92.989 43.321 1.00 45.31 O +ATOM 3048 CB ASP B 325 18.274 93.824 44.422 1.00 46.82 C +ATOM 3049 CG ASP B 325 16.830 93.478 44.147 1.00 53.16 C +ATOM 3050 OD1 ASP B 325 16.588 92.561 43.331 1.00 51.05 O +ATOM 3051 OD2 ASP B 325 15.937 94.129 44.731 1.00 56.50 O +ATOM 3052 N TYR B 326 21.224 93.391 45.529 1.00 43.57 N +ATOM 3053 CA TYR B 326 22.617 93.808 45.536 1.00 46.83 C +ATOM 3054 C TYR B 326 23.506 92.697 44.984 1.00 45.51 C +ATOM 3055 O TYR B 326 24.261 92.909 44.039 1.00 48.14 O +ATOM 3056 CB TYR B 326 23.056 94.156 46.959 1.00 47.74 C +ATOM 3057 CG TYR B 326 24.497 94.587 47.058 1.00 51.11 C +ATOM 3058 CD1 TYR B 326 24.923 95.795 46.507 1.00 52.80 C +ATOM 3059 CD2 TYR B 326 25.444 93.776 47.681 1.00 48.59 C +ATOM 3060 CE1 TYR B 326 26.259 96.184 46.574 1.00 51.77 C +ATOM 3061 CE2 TYR B 326 26.780 94.155 47.753 1.00 50.33 C +ATOM 3062 CZ TYR B 326 27.180 95.359 47.198 1.00 52.60 C +ATOM 3063 OH TYR B 326 28.498 95.739 47.274 1.00 57.84 O +ATOM 3064 N LEU B 327 23.415 91.515 45.583 1.00 43.22 N +ATOM 3065 CA LEU B 327 24.211 90.371 45.154 1.00 44.02 C +ATOM 3066 C LEU B 327 24.020 90.046 43.672 1.00 44.99 C +ATOM 3067 O LEU B 327 24.978 89.728 42.970 1.00 46.22 O +ATOM 3068 CB LEU B 327 23.848 89.143 45.991 1.00 44.34 C +ATOM 3069 CG LEU B 327 24.360 89.093 47.430 1.00 45.55 C +ATOM 3070 CD1 LEU B 327 23.612 88.015 48.197 1.00 48.00 C +ATOM 3071 CD2 LEU B 327 25.853 88.815 47.435 1.00 47.93 C +ATOM 3072 N ARG B 328 22.781 90.127 43.201 1.00 45.42 N +ATOM 3073 CA ARG B 328 22.477 89.825 41.809 1.00 47.89 C +ATOM 3074 C ARG B 328 23.045 90.835 40.816 1.00 49.17 C +ATOM 3075 O ARG B 328 23.442 90.463 39.712 1.00 51.35 O +ATOM 3076 CB ARG B 328 20.960 89.727 41.612 1.00 45.50 C +ATOM 3077 CG ARG B 328 20.316 88.529 42.302 1.00 44.91 C +ATOM 3078 CD ARG B 328 18.805 88.513 42.095 1.00 45.92 C +ATOM 3079 NE ARG B 328 18.200 87.296 42.631 1.00 49.21 N +ATOM 3080 CZ ARG B 328 16.891 87.093 42.736 1.00 49.44 C +ATOM 3081 NH1 ARG B 328 16.040 88.031 42.342 1.00 52.11 N +ATOM 3082 NH2 ARG B 328 16.433 85.953 43.239 1.00 47.26 N +ATOM 3083 N GLU B 329 23.099 92.103 41.214 1.00 48.97 N +ATOM 3084 CA GLU B 329 23.579 93.168 40.332 1.00 49.49 C +ATOM 3085 C GLU B 329 24.990 93.687 40.605 1.00 47.42 C +ATOM 3086 O GLU B 329 25.404 94.684 40.017 1.00 46.12 O +ATOM 3087 CB GLU B 329 22.618 94.353 40.402 1.00 52.14 C +ATOM 3088 CG GLU B 329 21.156 93.985 40.282 1.00 61.85 C +ATOM 3089 CD GLU B 329 20.254 95.197 40.409 1.00 66.93 C +ATOM 3090 OE1 GLU B 329 20.322 96.080 39.527 1.00 73.06 O +ATOM 3091 OE2 GLU B 329 19.483 95.273 41.390 1.00 68.68 O +ATOM 3092 N CYS B 330 25.737 93.012 41.467 1.00 44.78 N +ATOM 3093 CA CYS B 330 27.073 93.475 41.817 1.00 47.71 C +ATOM 3094 C CYS B 330 28.235 93.050 40.920 1.00 49.26 C +ATOM 3095 O CYS B 330 28.135 92.116 40.122 1.00 50.26 O +ATOM 3096 CB CYS B 330 27.402 93.034 43.236 1.00 46.81 C +ATOM 3097 SG CYS B 330 27.776 91.274 43.333 1.00 50.74 S +ATOM 3098 N ASN B 331 29.344 93.763 41.079 1.00 48.79 N +ATOM 3099 CA ASN B 331 30.583 93.473 40.371 1.00 51.27 C +ATOM 3100 C ASN B 331 31.213 92.365 41.219 1.00 52.77 C +ATOM 3101 O ASN B 331 31.718 92.626 42.313 1.00 52.53 O +ATOM 3102 CB ASN B 331 31.491 94.705 40.380 1.00 49.05 C +ATOM 3103 CG ASN B 331 32.894 94.409 39.867 1.00 51.83 C +ATOM 3104 OD1 ASN B 331 33.350 93.261 39.875 1.00 47.55 O +ATOM 3105 ND2 ASN B 331 33.593 95.452 39.436 1.00 46.57 N +ATOM 3106 N ARG B 332 31.185 91.133 40.726 1.00 51.62 N +ATOM 3107 CA ARG B 332 31.733 90.027 41.494 1.00 49.92 C +ATOM 3108 C ARG B 332 33.227 90.117 41.762 1.00 53.80 C +ATOM 3109 O ARG B 332 33.756 89.367 42.583 1.00 52.49 O +ATOM 3110 CB ARG B 332 31.387 88.702 40.827 1.00 45.57 C +ATOM 3111 CG ARG B 332 29.894 88.495 40.690 1.00 42.61 C +ATOM 3112 CD ARG B 332 29.570 87.048 40.409 1.00 38.94 C +ATOM 3113 NE ARG B 332 28.152 86.837 40.146 1.00 39.75 N +ATOM 3114 CZ ARG B 332 27.606 85.636 39.961 1.00 40.38 C +ATOM 3115 NH1 ARG B 332 28.364 84.550 40.018 1.00 36.74 N +ATOM 3116 NH2 ARG B 332 26.310 85.518 39.711 1.00 37.28 N +ATOM 3117 N GLN B 333 33.913 91.027 41.078 1.00 55.68 N +ATOM 3118 CA GLN B 333 35.337 91.200 41.318 1.00 54.78 C +ATOM 3119 C GLN B 333 35.462 92.041 42.584 1.00 54.70 C +ATOM 3120 O GLN B 333 36.415 91.899 43.351 1.00 55.32 O +ATOM 3121 CB GLN B 333 36.010 91.912 40.140 1.00 56.79 C +ATOM 3122 CG GLN B 333 36.085 91.076 38.872 1.00 57.13 C +ATOM 3123 CD GLN B 333 36.856 89.782 39.073 1.00 56.63 C +ATOM 3124 OE1 GLN B 333 38.039 89.798 39.407 1.00 59.14 O +ATOM 3125 NE2 GLN B 333 36.184 88.654 38.872 1.00 55.08 N +ATOM 3126 N GLU B 334 34.485 92.919 42.790 1.00 55.37 N +ATOM 3127 CA GLU B 334 34.446 93.786 43.964 1.00 57.55 C +ATOM 3128 C GLU B 334 33.935 92.967 45.148 1.00 57.43 C +ATOM 3129 O GLU B 334 34.604 92.847 46.181 1.00 55.18 O +ATOM 3130 CB GLU B 334 33.498 94.960 43.714 1.00 62.58 C +ATOM 3131 CG GLU B 334 33.369 95.919 44.885 1.00 69.67 C +ATOM 3132 CD GLU B 334 32.207 96.879 44.721 1.00 74.32 C +ATOM 3133 OE1 GLU B 334 32.142 97.559 43.674 1.00 79.00 O +ATOM 3134 OE2 GLU B 334 31.359 96.954 45.639 1.00 74.17 O +ATOM 3135 N VAL B 335 32.738 92.407 44.982 1.00 54.23 N +ATOM 3136 CA VAL B 335 32.112 91.581 46.008 1.00 49.67 C +ATOM 3137 C VAL B 335 32.639 90.162 45.846 1.00 47.95 C +ATOM 3138 O VAL B 335 31.941 89.282 45.350 1.00 51.25 O +ATOM 3139 CB VAL B 335 30.576 91.568 45.851 1.00 46.70 C +ATOM 3140 CG1 VAL B 335 29.941 90.797 46.995 1.00 45.17 C +ATOM 3141 CG2 VAL B 335 30.048 92.987 45.805 1.00 44.62 C +ATOM 3142 N SER B 336 33.882 89.954 46.264 1.00 50.19 N +ATOM 3143 CA SER B 336 34.529 88.654 46.162 1.00 50.78 C +ATOM 3144 C SER B 336 34.196 87.718 47.320 1.00 51.46 C +ATOM 3145 O SER B 336 33.421 88.061 48.212 1.00 53.78 O +ATOM 3146 CB SER B 336 36.046 88.838 46.062 1.00 51.89 C +ATOM 3147 OG SER B 336 36.520 89.730 47.055 1.00 52.11 O +ATOM 3148 N ALA B 337 34.797 86.533 47.294 1.00 49.94 N +ATOM 3149 CA ALA B 337 34.570 85.519 48.315 1.00 50.03 C +ATOM 3150 C ALA B 337 34.806 86.025 49.734 1.00 49.83 C +ATOM 3151 O ALA B 337 34.033 85.711 50.637 1.00 50.04 O +ATOM 3152 CB ALA B 337 35.454 84.296 48.040 1.00 46.75 C +ATOM 3153 N VAL B 338 35.870 86.801 49.933 1.00 50.24 N +ATOM 3154 CA VAL B 338 36.176 87.330 51.258 1.00 49.68 C +ATOM 3155 C VAL B 338 35.099 88.309 51.718 1.00 48.88 C +ATOM 3156 O VAL B 338 34.864 88.471 52.912 1.00 50.22 O +ATOM 3157 CB VAL B 338 37.545 88.046 51.285 1.00 52.98 C +ATOM 3158 CG1 VAL B 338 37.495 89.317 50.445 1.00 54.75 C +ATOM 3159 CG2 VAL B 338 37.928 88.366 52.722 1.00 52.71 C +ATOM 3160 N VAL B 339 34.445 88.964 50.767 1.00 47.51 N +ATOM 3161 CA VAL B 339 33.393 89.911 51.099 1.00 45.37 C +ATOM 3162 C VAL B 339 32.117 89.148 51.436 1.00 47.62 C +ATOM 3163 O VAL B 339 31.339 89.571 52.292 1.00 43.96 O +ATOM 3164 CB VAL B 339 33.115 90.865 49.931 1.00 45.16 C +ATOM 3165 CG1 VAL B 339 32.023 91.851 50.312 1.00 45.11 C +ATOM 3166 CG2 VAL B 339 34.392 91.600 49.556 1.00 47.25 C +ATOM 3167 N LEU B 340 31.896 88.026 50.756 1.00 46.11 N +ATOM 3168 CA LEU B 340 30.711 87.213 51.024 1.00 45.91 C +ATOM 3169 C LEU B 340 30.838 86.664 52.445 1.00 45.38 C +ATOM 3170 O LEU B 340 29.868 86.608 53.200 1.00 41.81 O +ATOM 3171 CB LEU B 340 30.621 86.056 50.029 1.00 45.14 C +ATOM 3172 CG LEU B 340 30.543 86.401 48.542 1.00 43.88 C +ATOM 3173 CD1 LEU B 340 30.475 85.100 47.752 1.00 45.19 C +ATOM 3174 CD2 LEU B 340 29.323 87.287 48.250 1.00 37.44 C +ATOM 3175 N LEU B 341 32.054 86.264 52.801 1.00 45.97 N +ATOM 3176 CA LEU B 341 32.326 85.737 54.131 1.00 49.34 C +ATOM 3177 C LEU B 341 32.064 86.840 55.159 1.00 48.11 C +ATOM 3178 O LEU B 341 31.441 86.608 56.192 1.00 48.89 O +ATOM 3179 CB LEU B 341 33.783 85.276 54.218 1.00 52.29 C +ATOM 3180 CG LEU B 341 34.211 84.500 55.466 1.00 56.79 C +ATOM 3181 CD1 LEU B 341 33.396 83.213 55.591 1.00 57.66 C +ATOM 3182 CD2 LEU B 341 35.694 84.184 55.369 1.00 56.52 C +ATOM 3183 N TYR B 342 32.541 88.041 54.859 1.00 45.46 N +ATOM 3184 CA TYR B 342 32.364 89.190 55.741 1.00 46.48 C +ATOM 3185 C TYR B 342 30.890 89.517 55.933 1.00 45.88 C +ATOM 3186 O TYR B 342 30.470 89.856 57.038 1.00 46.08 O +ATOM 3187 CB TYR B 342 33.096 90.408 55.167 1.00 47.30 C +ATOM 3188 CG TYR B 342 32.873 91.703 55.922 1.00 55.58 C +ATOM 3189 CD1 TYR B 342 33.197 91.816 57.275 1.00 55.84 C +ATOM 3190 CD2 TYR B 342 32.359 92.827 55.274 1.00 56.33 C +ATOM 3191 CE1 TYR B 342 33.016 93.019 57.963 1.00 58.12 C +ATOM 3192 CE2 TYR B 342 32.175 94.032 55.950 1.00 56.29 C +ATOM 3193 CZ TYR B 342 32.505 94.122 57.292 1.00 58.32 C +ATOM 3194 OH TYR B 342 32.324 95.315 57.958 1.00 58.50 O +ATOM 3195 N MET B 343 30.106 89.408 54.861 1.00 45.59 N +ATOM 3196 CA MET B 343 28.679 89.703 54.933 1.00 47.21 C +ATOM 3197 C MET B 343 27.937 88.643 55.744 1.00 47.55 C +ATOM 3198 O MET B 343 26.936 88.934 56.397 1.00 45.86 O +ATOM 3199 CB MET B 343 28.073 89.791 53.528 1.00 49.90 C +ATOM 3200 CG MET B 343 28.706 90.849 52.632 1.00 51.07 C +ATOM 3201 SD MET B 343 27.659 91.305 51.225 1.00 60.44 S +ATOM 3202 CE MET B 343 27.502 89.733 50.405 1.00 48.36 C +ATOM 3203 N ALA B 344 28.429 87.412 55.692 1.00 46.38 N +ATOM 3204 CA ALA B 344 27.817 86.318 56.432 1.00 47.23 C +ATOM 3205 C ALA B 344 28.162 86.457 57.909 1.00 46.49 C +ATOM 3206 O ALA B 344 27.360 86.121 58.777 1.00 46.22 O +ATOM 3207 CB ALA B 344 28.315 84.982 55.904 1.00 44.73 C +ATOM 3208 N THR B 345 29.364 86.949 58.188 1.00 45.51 N +ATOM 3209 CA THR B 345 29.804 87.135 59.561 1.00 45.91 C +ATOM 3210 C THR B 345 28.943 88.196 60.233 1.00 44.61 C +ATOM 3211 O THR B 345 28.535 88.039 61.380 1.00 45.63 O +ATOM 3212 CB THR B 345 31.282 87.569 59.624 1.00 48.50 C +ATOM 3213 OG1 THR B 345 32.115 86.492 59.177 1.00 51.77 O +ATOM 3214 CG2 THR B 345 31.669 87.946 61.046 1.00 45.81 C +ATOM 3215 N GLN B 346 28.658 89.268 59.503 1.00 43.78 N +ATOM 3216 CA GLN B 346 27.842 90.356 60.026 1.00 44.27 C +ATOM 3217 C GLN B 346 26.435 89.895 60.386 1.00 42.12 C +ATOM 3218 O GLN B 346 25.907 90.258 61.433 1.00 43.51 O +ATOM 3219 CB GLN B 346 27.748 91.478 59.000 1.00 42.02 C +ATOM 3220 CG GLN B 346 29.088 92.022 58.564 1.00 48.35 C +ATOM 3221 CD GLN B 346 28.953 93.152 57.576 1.00 46.02 C +ATOM 3222 OE1 GLN B 346 28.454 94.231 57.909 1.00 49.26 O +ATOM 3223 NE2 GLN B 346 29.387 92.911 56.345 1.00 44.94 N +ATOM 3224 N ILE B 347 25.827 89.107 59.504 1.00 41.15 N +ATOM 3225 CA ILE B 347 24.476 88.608 59.723 1.00 36.97 C +ATOM 3226 C ILE B 347 24.400 87.688 60.946 1.00 35.56 C +ATOM 3227 O ILE B 347 23.468 87.793 61.745 1.00 37.56 O +ATOM 3228 CB ILE B 347 23.952 87.867 58.460 1.00 41.25 C +ATOM 3229 CG1 ILE B 347 23.798 88.866 57.307 1.00 38.78 C +ATOM 3230 CG2 ILE B 347 22.612 87.200 58.754 1.00 35.71 C +ATOM 3231 CD1 ILE B 347 23.465 88.231 55.971 1.00 39.11 C +ATOM 3232 N SER B 348 25.371 86.792 61.098 1.00 32.63 N +ATOM 3233 CA SER B 348 25.374 85.891 62.244 1.00 37.65 C +ATOM 3234 C SER B 348 25.622 86.696 63.522 1.00 39.72 C +ATOM 3235 O SER B 348 25.186 86.313 64.600 1.00 39.52 O +ATOM 3236 CB SER B 348 26.441 84.798 62.082 1.00 39.08 C +ATOM 3237 OG SER B 348 27.744 85.338 61.974 1.00 39.72 O +ATOM 3238 N SER B 349 26.314 87.822 63.399 1.00 39.81 N +ATOM 3239 CA SER B 349 26.571 88.659 64.565 1.00 41.68 C +ATOM 3240 C SER B 349 25.253 89.254 65.059 1.00 36.17 C +ATOM 3241 O SER B 349 24.989 89.296 66.257 1.00 32.69 O +ATOM 3242 CB SER B 349 27.542 89.791 64.216 1.00 37.93 C +ATOM 3243 OG SER B 349 27.790 90.587 65.359 1.00 44.60 O +ATOM 3244 N ALA B 350 24.434 89.715 64.119 1.00 37.36 N +ATOM 3245 CA ALA B 350 23.139 90.305 64.433 1.00 36.42 C +ATOM 3246 C ALA B 350 22.184 89.252 64.991 1.00 42.46 C +ATOM 3247 O ALA B 350 21.376 89.545 65.878 1.00 41.06 O +ATOM 3248 CB ALA B 350 22.541 90.929 63.188 1.00 37.98 C +ATOM 3249 N MET B 351 22.270 88.033 64.464 1.00 40.36 N +ATOM 3250 CA MET B 351 21.407 86.954 64.923 1.00 41.47 C +ATOM 3251 C MET B 351 21.825 86.447 66.301 1.00 41.57 C +ATOM 3252 O MET B 351 20.977 86.044 67.095 1.00 36.51 O +ATOM 3253 CB MET B 351 21.403 85.795 63.920 1.00 41.63 C +ATOM 3254 CG MET B 351 20.660 86.100 62.623 1.00 41.13 C +ATOM 3255 SD MET B 351 19.047 86.874 62.913 1.00 43.15 S +ATOM 3256 CE MET B 351 18.236 85.597 63.882 1.00 42.87 C +ATOM 3257 N GLU B 352 23.127 86.467 66.583 1.00 39.99 N +ATOM 3258 CA GLU B 352 23.629 86.027 67.879 1.00 43.93 C +ATOM 3259 C GLU B 352 23.086 86.954 68.966 1.00 43.48 C +ATOM 3260 O GLU B 352 22.755 86.515 70.064 1.00 44.68 O +ATOM 3261 CB GLU B 352 25.164 86.035 67.893 1.00 48.86 C +ATOM 3262 CG GLU B 352 25.779 85.972 69.293 1.00 57.34 C +ATOM 3263 CD GLU B 352 27.291 85.764 69.280 1.00 63.06 C +ATOM 3264 OE1 GLU B 352 27.983 86.423 68.473 1.00 65.40 O +ATOM 3265 OE2 GLU B 352 27.790 84.948 70.087 1.00 67.45 O +ATOM 3266 N TYR B 353 22.986 88.238 68.636 1.00 42.90 N +ATOM 3267 CA TYR B 353 22.479 89.256 69.553 1.00 41.89 C +ATOM 3268 C TYR B 353 20.978 89.089 69.784 1.00 44.83 C +ATOM 3269 O TYR B 353 20.486 89.229 70.905 1.00 37.53 O +ATOM 3270 CB TYR B 353 22.755 90.646 68.974 1.00 42.28 C +ATOM 3271 CG TYR B 353 21.989 91.768 69.633 1.00 44.38 C +ATOM 3272 CD1 TYR B 353 22.502 92.438 70.747 1.00 44.91 C +ATOM 3273 CD2 TYR B 353 20.752 92.174 69.130 1.00 41.70 C +ATOM 3274 CE1 TYR B 353 21.797 93.498 71.339 1.00 43.06 C +ATOM 3275 CE2 TYR B 353 20.043 93.218 69.710 1.00 42.52 C +ATOM 3276 CZ TYR B 353 20.569 93.880 70.810 1.00 44.80 C +ATOM 3277 OH TYR B 353 19.872 94.936 71.351 1.00 45.54 O +ATOM 3278 N LEU B 354 20.255 88.804 68.709 1.00 44.23 N +ATOM 3279 CA LEU B 354 18.814 88.625 68.788 1.00 45.25 C +ATOM 3280 C LEU B 354 18.550 87.387 69.637 1.00 45.48 C +ATOM 3281 O LEU B 354 17.584 87.326 70.400 1.00 44.21 O +ATOM 3282 CB LEU B 354 18.245 88.443 67.382 1.00 46.09 C +ATOM 3283 CG LEU B 354 16.989 89.230 67.015 1.00 50.52 C +ATOM 3284 CD1 LEU B 354 17.219 90.721 67.209 1.00 45.57 C +ATOM 3285 CD2 LEU B 354 16.626 88.932 65.568 1.00 49.98 C +ATOM 3286 N GLU B 355 19.430 86.403 69.501 1.00 46.83 N +ATOM 3287 CA GLU B 355 19.330 85.160 70.252 1.00 48.13 C +ATOM 3288 C GLU B 355 19.435 85.487 71.738 1.00 50.27 C +ATOM 3289 O GLU B 355 18.570 85.116 72.531 1.00 49.16 O +ATOM 3290 CB GLU B 355 20.468 84.222 69.839 1.00 49.61 C +ATOM 3291 CG GLU B 355 20.430 82.836 70.457 1.00 52.59 C +ATOM 3292 CD GLU B 355 21.483 81.916 69.857 1.00 59.47 C +ATOM 3293 OE1 GLU B 355 22.677 82.065 70.202 1.00 59.55 O +ATOM 3294 OE2 GLU B 355 21.118 81.052 69.025 1.00 59.17 O +ATOM 3295 N LYS B 356 20.498 86.201 72.097 1.00 50.22 N +ATOM 3296 CA LYS B 356 20.751 86.591 73.479 1.00 51.76 C +ATOM 3297 C LYS B 356 19.598 87.370 74.107 1.00 51.92 C +ATOM 3298 O LYS B 356 19.281 87.173 75.280 1.00 55.00 O +ATOM 3299 CB LYS B 356 22.027 87.433 73.557 1.00 57.08 C +ATOM 3300 CG LYS B 356 22.384 87.884 74.963 1.00 60.99 C +ATOM 3301 CD LYS B 356 22.726 89.372 75.013 1.00 68.06 C +ATOM 3302 CE LYS B 356 23.909 89.721 74.114 1.00 68.70 C +ATOM 3303 NZ LYS B 356 24.292 91.160 74.222 1.00 68.76 N +ATOM 3304 N LYS B 357 18.977 88.259 73.338 1.00 51.34 N +ATOM 3305 CA LYS B 357 17.869 89.053 73.857 1.00 52.55 C +ATOM 3306 C LYS B 357 16.563 88.264 73.787 1.00 52.39 C +ATOM 3307 O LYS B 357 15.479 88.810 74.006 1.00 54.66 O +ATOM 3308 CB LYS B 357 17.737 90.372 73.077 1.00 55.59 C +ATOM 3309 CG LYS B 357 18.961 91.297 73.154 1.00 56.63 C +ATOM 3310 CD LYS B 357 19.171 91.930 74.542 1.00 63.56 C +ATOM 3311 CE LYS B 357 18.636 93.368 74.618 1.00 67.06 C +ATOM 3312 NZ LYS B 357 19.040 94.077 75.877 1.00 68.49 N +ATOM 3313 N ASN B 358 16.681 86.976 73.483 1.00 49.52 N +ATOM 3314 CA ASN B 358 15.525 86.086 73.391 1.00 53.82 C +ATOM 3315 C ASN B 358 14.467 86.459 72.354 1.00 51.77 C +ATOM 3316 O ASN B 358 13.276 86.233 72.566 1.00 49.27 O +ATOM 3317 CB ASN B 358 14.857 85.953 74.762 1.00 57.34 C +ATOM 3318 CG ASN B 358 15.710 85.191 75.751 1.00 63.23 C +ATOM 3319 OD1 ASN B 358 16.002 84.009 75.553 1.00 64.88 O +ATOM 3320 ND2 ASN B 358 16.121 85.863 76.823 1.00 64.37 N +ATOM 3321 N PHE B 359 14.893 87.037 71.237 1.00 50.74 N +ATOM 3322 CA PHE B 359 13.956 87.386 70.179 1.00 48.94 C +ATOM 3323 C PHE B 359 14.117 86.366 69.062 1.00 48.91 C +ATOM 3324 O PHE B 359 15.153 85.710 68.956 1.00 47.05 O +ATOM 3325 CB PHE B 359 14.239 88.778 69.605 1.00 49.23 C +ATOM 3326 CG PHE B 359 13.835 89.908 70.502 1.00 54.15 C +ATOM 3327 CD1 PHE B 359 14.650 90.303 71.556 1.00 59.49 C +ATOM 3328 CD2 PHE B 359 12.643 90.592 70.284 1.00 55.84 C +ATOM 3329 CE1 PHE B 359 14.286 91.369 72.384 1.00 59.73 C +ATOM 3330 CE2 PHE B 359 12.269 91.656 71.103 1.00 60.03 C +ATOM 3331 CZ PHE B 359 13.097 92.045 72.157 1.00 58.83 C +ATOM 3332 N ILE B 360 13.084 86.230 68.240 1.00 47.61 N +ATOM 3333 CA ILE B 360 13.119 85.321 67.102 1.00 45.03 C +ATOM 3334 C ILE B 360 12.891 86.236 65.909 1.00 43.76 C +ATOM 3335 O ILE B 360 12.130 87.196 66.012 1.00 44.52 O +ATOM 3336 CB ILE B 360 11.977 84.281 67.164 1.00 47.39 C +ATOM 3337 CG1 ILE B 360 12.125 83.416 68.411 1.00 46.50 C +ATOM 3338 CG2 ILE B 360 11.994 83.407 65.917 1.00 49.94 C +ATOM 3339 CD1 ILE B 360 10.991 82.422 68.591 1.00 53.95 C +ATOM 3340 N HIS B 361 13.551 85.969 64.787 1.00 42.35 N +ATOM 3341 CA HIS B 361 13.362 86.824 63.629 1.00 37.28 C +ATOM 3342 C HIS B 361 12.130 86.373 62.854 1.00 42.02 C +ATOM 3343 O HIS B 361 11.218 87.170 62.625 1.00 37.92 O +ATOM 3344 CB HIS B 361 14.592 86.809 62.721 1.00 34.94 C +ATOM 3345 CG HIS B 361 14.512 87.805 61.605 1.00 38.51 C +ATOM 3346 ND1 HIS B 361 13.534 87.755 60.634 1.00 41.05 N +ATOM 3347 CD2 HIS B 361 15.235 88.922 61.352 1.00 36.94 C +ATOM 3348 CE1 HIS B 361 13.655 88.799 59.834 1.00 43.74 C +ATOM 3349 NE2 HIS B 361 14.679 89.523 60.249 1.00 41.38 N +ATOM 3350 N ARG B 362 12.122 85.098 62.454 1.00 43.91 N +ATOM 3351 CA ARG B 362 11.007 84.476 61.725 1.00 49.09 C +ATOM 3352 C ARG B 362 10.984 84.569 60.203 1.00 47.30 C +ATOM 3353 O ARG B 362 10.291 83.792 59.548 1.00 49.17 O +ATOM 3354 CB ARG B 362 9.665 84.989 62.250 1.00 47.78 C +ATOM 3355 CG ARG B 362 8.965 84.061 63.214 1.00 53.51 C +ATOM 3356 CD ARG B 362 7.611 84.641 63.578 1.00 63.27 C +ATOM 3357 NE ARG B 362 6.991 83.952 64.704 1.00 73.72 N +ATOM 3358 CZ ARG B 362 5.989 84.455 65.419 1.00 78.38 C +ATOM 3359 NH1 ARG B 362 5.496 85.652 65.120 1.00 79.63 N +ATOM 3360 NH2 ARG B 362 5.486 83.769 66.438 1.00 79.55 N +ATOM 3361 N ASP B 363 11.716 85.514 59.631 1.00 45.67 N +ATOM 3362 CA ASP B 363 11.725 85.646 58.181 1.00 41.11 C +ATOM 3363 C ASP B 363 13.098 86.114 57.719 1.00 40.65 C +ATOM 3364 O ASP B 363 13.238 87.123 57.030 1.00 40.60 O +ATOM 3365 CB ASP B 363 10.629 86.621 57.753 1.00 40.55 C +ATOM 3366 CG ASP B 363 10.401 86.630 56.256 1.00 42.37 C +ATOM 3367 OD1 ASP B 363 10.935 85.748 55.553 1.00 40.32 O +ATOM 3368 OD2 ASP B 363 9.671 87.524 55.781 1.00 45.37 O +ATOM 3369 N LEU B 364 14.111 85.351 58.114 1.00 38.51 N +ATOM 3370 CA LEU B 364 15.490 85.642 57.770 1.00 40.49 C +ATOM 3371 C LEU B 364 15.748 85.230 56.324 1.00 41.07 C +ATOM 3372 O LEU B 364 15.540 84.078 55.952 1.00 41.06 O +ATOM 3373 CB LEU B 364 16.421 84.871 58.705 1.00 40.42 C +ATOM 3374 CG LEU B 364 17.882 85.297 58.767 1.00 42.42 C +ATOM 3375 CD1 LEU B 364 17.968 86.766 59.177 1.00 41.71 C +ATOM 3376 CD2 LEU B 364 18.615 84.411 59.771 1.00 43.45 C +ATOM 3377 N ALA B 365 16.198 86.181 55.514 1.00 37.10 N +ATOM 3378 CA ALA B 365 16.481 85.926 54.110 1.00 38.81 C +ATOM 3379 C ALA B 365 17.201 87.136 53.537 1.00 40.47 C +ATOM 3380 O ALA B 365 17.167 88.220 54.123 1.00 44.04 O +ATOM 3381 CB ALA B 365 15.181 85.683 53.345 1.00 35.54 C +ATOM 3382 N ALA B 366 17.846 86.955 52.391 1.00 37.66 N +ATOM 3383 CA ALA B 366 18.568 88.048 51.759 1.00 37.36 C +ATOM 3384 C ALA B 366 17.639 89.215 51.455 1.00 36.88 C +ATOM 3385 O ALA B 366 18.059 90.370 51.494 1.00 41.13 O +ATOM 3386 CB ALA B 366 19.239 87.563 50.479 1.00 36.20 C +ATOM 3387 N ARG B 367 16.375 88.918 51.165 1.00 36.20 N +ATOM 3388 CA ARG B 367 15.408 89.962 50.840 1.00 37.47 C +ATOM 3389 C ARG B 367 15.084 90.850 52.035 1.00 39.58 C +ATOM 3390 O ARG B 367 14.469 91.906 51.879 1.00 40.48 O +ATOM 3391 CB ARG B 367 14.112 89.352 50.282 1.00 39.82 C +ATOM 3392 CG ARG B 367 13.443 88.356 51.214 1.00 38.32 C +ATOM 3393 CD ARG B 367 12.083 87.891 50.697 1.00 38.54 C +ATOM 3394 NE ARG B 367 11.494 86.944 51.637 1.00 35.40 N +ATOM 3395 CZ ARG B 367 11.858 85.672 51.743 1.00 39.37 C +ATOM 3396 NH1 ARG B 367 12.806 85.181 50.952 1.00 39.13 N +ATOM 3397 NH2 ARG B 367 11.303 84.900 52.667 1.00 39.80 N +ATOM 3398 N ASN B 368 15.500 90.424 53.225 1.00 40.23 N +ATOM 3399 CA ASN B 368 15.256 91.199 54.439 1.00 41.87 C +ATOM 3400 C ASN B 368 16.529 91.806 55.011 1.00 43.14 C +ATOM 3401 O ASN B 368 16.586 92.147 56.190 1.00 44.09 O +ATOM 3402 CB ASN B 368 14.587 90.329 55.509 1.00 42.88 C +ATOM 3403 CG ASN B 368 13.080 90.327 55.392 1.00 42.86 C +ATOM 3404 OD1 ASN B 368 12.454 91.386 55.368 1.00 41.81 O +ATOM 3405 ND2 ASN B 368 12.484 89.139 55.325 1.00 46.50 N +ATOM 3406 N CYS B 369 17.551 91.937 54.174 1.00 43.07 N +ATOM 3407 CA CYS B 369 18.817 92.506 54.606 1.00 44.05 C +ATOM 3408 C CYS B 369 19.163 93.698 53.722 1.00 45.02 C +ATOM 3409 O CYS B 369 18.729 93.767 52.570 1.00 43.08 O +ATOM 3410 CB CYS B 369 19.923 91.453 54.534 1.00 38.25 C +ATOM 3411 SG CYS B 369 19.694 90.076 55.668 1.00 42.97 S +ATOM 3412 N LEU B 370 19.933 94.633 54.272 1.00 40.84 N +ATOM 3413 CA LEU B 370 20.332 95.831 53.539 1.00 43.08 C +ATOM 3414 C LEU B 370 21.842 95.917 53.439 1.00 40.71 C +ATOM 3415 O LEU B 370 22.558 95.310 54.229 1.00 42.49 O +ATOM 3416 CB LEU B 370 19.819 97.092 54.236 1.00 42.39 C +ATOM 3417 CG LEU B 370 18.315 97.313 54.389 1.00 42.77 C +ATOM 3418 CD1 LEU B 370 17.656 97.374 53.020 1.00 43.01 C +ATOM 3419 CD2 LEU B 370 17.729 96.198 55.231 1.00 48.97 C +ATOM 3420 N VAL B 371 22.322 96.676 52.461 1.00 40.28 N +ATOM 3421 CA VAL B 371 23.754 96.844 52.272 1.00 42.22 C +ATOM 3422 C VAL B 371 24.088 98.326 52.322 1.00 43.56 C +ATOM 3423 O VAL B 371 23.490 99.134 51.612 1.00 44.01 O +ATOM 3424 CB VAL B 371 24.222 96.275 50.914 1.00 39.08 C +ATOM 3425 CG1 VAL B 371 25.744 96.309 50.831 1.00 38.10 C +ATOM 3426 CG2 VAL B 371 23.716 94.856 50.746 1.00 38.10 C +ATOM 3427 N GLY B 372 25.035 98.678 53.182 1.00 44.86 N +ATOM 3428 CA GLY B 372 25.440 100.064 53.301 1.00 45.48 C +ATOM 3429 C GLY B 372 26.768 100.262 52.605 1.00 47.52 C +ATOM 3430 O GLY B 372 27.174 99.436 51.785 1.00 44.70 O +ATOM 3431 N GLU B 373 27.453 101.351 52.934 1.00 51.07 N +ATOM 3432 CA GLU B 373 28.742 101.638 52.325 1.00 52.60 C +ATOM 3433 C GLU B 373 29.776 100.670 52.880 1.00 49.91 C +ATOM 3434 O GLU B 373 29.658 100.205 54.012 1.00 48.06 O +ATOM 3435 CB GLU B 373 29.163 103.077 52.631 1.00 59.32 C +ATOM 3436 CG GLU B 373 30.043 103.709 51.565 1.00 66.60 C +ATOM 3437 CD GLU B 373 29.277 104.012 50.290 1.00 72.06 C +ATOM 3438 OE1 GLU B 373 28.258 104.733 50.369 1.00 74.97 O +ATOM 3439 OE2 GLU B 373 29.691 103.534 49.210 1.00 76.33 O +ATOM 3440 N ASN B 374 30.782 100.362 52.071 1.00 50.75 N +ATOM 3441 CA ASN B 374 31.852 99.456 52.472 1.00 51.23 C +ATOM 3442 C ASN B 374 31.360 98.057 52.837 1.00 49.34 C +ATOM 3443 O ASN B 374 31.865 97.432 53.769 1.00 48.33 O +ATOM 3444 CB ASN B 374 32.631 100.059 53.641 1.00 57.43 C +ATOM 3445 CG ASN B 374 33.260 101.396 53.289 1.00 62.52 C +ATOM 3446 OD1 ASN B 374 34.108 101.481 52.399 1.00 65.43 O +ATOM 3447 ND2 ASN B 374 32.840 102.449 53.982 1.00 64.66 N +ATOM 3448 N HIS B 375 30.367 97.575 52.098 1.00 47.47 N +ATOM 3449 CA HIS B 375 29.826 96.237 52.314 1.00 47.74 C +ATOM 3450 C HIS B 375 29.304 95.998 53.723 1.00 44.50 C +ATOM 3451 O HIS B 375 29.449 94.905 54.283 1.00 41.71 O +ATOM 3452 CB HIS B 375 30.896 95.207 51.958 1.00 51.06 C +ATOM 3453 CG HIS B 375 31.372 95.321 50.545 1.00 52.88 C +ATOM 3454 ND1 HIS B 375 32.684 95.112 50.180 1.00 54.17 N +ATOM 3455 CD2 HIS B 375 30.713 95.657 49.411 1.00 51.98 C +ATOM 3456 CE1 HIS B 375 32.814 95.321 48.882 1.00 54.37 C +ATOM 3457 NE2 HIS B 375 31.633 95.653 48.392 1.00 53.75 N +ATOM 3458 N LEU B 376 28.698 97.038 54.285 1.00 41.92 N +ATOM 3459 CA LEU B 376 28.112 96.974 55.613 1.00 45.47 C +ATOM 3460 C LEU B 376 26.752 96.324 55.382 1.00 42.97 C +ATOM 3461 O LEU B 376 26.012 96.738 54.491 1.00 39.45 O +ATOM 3462 CB LEU B 376 27.916 98.386 56.178 1.00 40.75 C +ATOM 3463 CG LEU B 376 27.933 98.582 57.698 1.00 48.67 C +ATOM 3464 CD1 LEU B 376 27.477 100.005 58.020 1.00 47.57 C +ATOM 3465 CD2 LEU B 376 27.037 97.571 58.386 1.00 42.83 C +ATOM 3466 N VAL B 377 26.431 95.305 56.170 1.00 43.20 N +ATOM 3467 CA VAL B 377 25.151 94.625 56.028 1.00 45.83 C +ATOM 3468 C VAL B 377 24.359 94.604 57.330 1.00 44.54 C +ATOM 3469 O VAL B 377 24.893 94.268 58.389 1.00 43.34 O +ATOM 3470 CB VAL B 377 25.343 93.172 55.547 1.00 46.68 C +ATOM 3471 CG1 VAL B 377 23.999 92.483 55.442 1.00 49.77 C +ATOM 3472 CG2 VAL B 377 26.043 93.164 54.200 1.00 46.39 C +ATOM 3473 N LYS B 378 23.084 94.970 57.245 1.00 43.50 N +ATOM 3474 CA LYS B 378 22.218 94.978 58.414 1.00 44.23 C +ATOM 3475 C LYS B 378 20.972 94.132 58.201 1.00 43.11 C +ATOM 3476 O LYS B 378 20.404 94.110 57.111 1.00 43.44 O +ATOM 3477 CB LYS B 378 21.799 96.409 58.776 1.00 45.43 C +ATOM 3478 CG LYS B 378 22.728 97.091 59.774 1.00 48.24 C +ATOM 3479 CD LYS B 378 23.717 98.005 59.094 1.00 50.86 C +ATOM 3480 CE LYS B 378 23.290 99.459 59.226 1.00 54.33 C +ATOM 3481 NZ LYS B 378 23.361 99.953 60.637 1.00 53.28 N +ATOM 3482 N VAL B 379 20.553 93.434 59.250 1.00 42.09 N +ATOM 3483 CA VAL B 379 19.357 92.607 59.180 1.00 39.06 C +ATOM 3484 C VAL B 379 18.143 93.487 59.456 1.00 41.73 C +ATOM 3485 O VAL B 379 18.201 94.436 60.251 1.00 36.73 O +ATOM 3486 CB VAL B 379 19.386 91.470 60.222 1.00 42.29 C +ATOM 3487 CG1 VAL B 379 18.054 90.728 60.217 1.00 38.55 C +ATOM 3488 CG2 VAL B 379 20.531 90.510 59.918 1.00 41.15 C +ATOM 3489 N ALA B 380 17.040 93.170 58.795 1.00 38.27 N +ATOM 3490 CA ALA B 380 15.816 93.928 58.965 1.00 39.90 C +ATOM 3491 C ALA B 380 14.625 92.978 58.893 1.00 41.97 C +ATOM 3492 O ALA B 380 14.795 91.764 58.750 1.00 38.02 O +ATOM 3493 CB ALA B 380 15.714 94.985 57.871 1.00 36.31 C +ATOM 3494 N ASP B 381 13.425 93.535 59.005 1.00 40.71 N +ATOM 3495 CA ASP B 381 12.202 92.743 58.911 1.00 44.98 C +ATOM 3496 C ASP B 381 11.152 93.648 58.295 1.00 42.69 C +ATOM 3497 O ASP B 381 10.478 94.398 58.995 1.00 42.92 O +ATOM 3498 CB ASP B 381 11.739 92.266 60.286 1.00 46.36 C +ATOM 3499 CG ASP B 381 10.585 91.279 60.197 1.00 52.76 C +ATOM 3500 OD1 ASP B 381 9.566 91.607 59.552 1.00 55.91 O +ATOM 3501 OD2 ASP B 381 10.695 90.175 60.768 1.00 56.26 O +ATOM 3502 N PHE B 382 11.021 93.568 56.977 1.00 42.29 N +ATOM 3503 CA PHE B 382 10.086 94.411 56.243 1.00 44.71 C +ATOM 3504 C PHE B 382 8.643 93.923 56.218 1.00 45.58 C +ATOM 3505 O PHE B 382 7.775 94.601 55.669 1.00 47.77 O +ATOM 3506 CB PHE B 382 10.587 94.581 54.806 1.00 44.03 C +ATOM 3507 CG PHE B 382 12.011 95.054 54.713 1.00 42.22 C +ATOM 3508 CD1 PHE B 382 12.884 94.493 53.783 1.00 40.74 C +ATOM 3509 CD2 PHE B 382 12.476 96.071 55.539 1.00 45.39 C +ATOM 3510 CE1 PHE B 382 14.195 94.941 53.678 1.00 45.20 C +ATOM 3511 CE2 PHE B 382 13.789 96.528 55.441 1.00 42.75 C +ATOM 3512 CZ PHE B 382 14.649 95.964 54.509 1.00 42.32 C +ATOM 3513 N GLY B 383 8.380 92.764 56.815 1.00 44.09 N +ATOM 3514 CA GLY B 383 7.028 92.231 56.806 1.00 48.34 C +ATOM 3515 C GLY B 383 6.614 91.972 55.368 1.00 50.90 C +ATOM 3516 O GLY B 383 5.533 92.367 54.931 1.00 51.41 O +ATOM 3517 N LEU B 384 7.491 91.295 54.634 1.00 52.75 N +ATOM 3518 CA LEU B 384 7.275 90.992 53.228 1.00 55.19 C +ATOM 3519 C LEU B 384 6.114 90.057 52.892 1.00 58.94 C +ATOM 3520 O LEU B 384 5.530 90.167 51.816 1.00 59.47 O +ATOM 3521 CB LEU B 384 8.573 90.446 52.632 1.00 54.88 C +ATOM 3522 CG LEU B 384 9.726 91.454 52.662 1.00 51.59 C +ATOM 3523 CD1 LEU B 384 11.017 90.796 52.208 1.00 45.97 C +ATOM 3524 CD2 LEU B 384 9.373 92.637 51.771 1.00 53.04 C +ATOM 3525 N SER B 385 5.774 89.140 53.792 1.00 64.05 N +ATOM 3526 CA SER B 385 4.665 88.222 53.535 1.00 70.12 C +ATOM 3527 C SER B 385 3.354 88.996 53.607 1.00 75.85 C +ATOM 3528 O SER B 385 2.314 88.534 53.139 1.00 76.77 O +ATOM 3529 CB SER B 385 4.644 87.096 54.572 1.00 67.12 C +ATOM 3530 OG SER B 385 4.282 87.583 55.852 1.00 58.83 O +ATOM 3531 N ARG B 386 3.428 90.182 54.200 1.00 82.61 N +ATOM 3532 CA ARG B 386 2.281 91.063 54.383 1.00 88.74 C +ATOM 3533 C ARG B 386 1.923 91.878 53.135 1.00 92.31 C +ATOM 3534 O ARG B 386 0.913 92.586 53.123 1.00 92.08 O +ATOM 3535 CB ARG B 386 2.571 92.001 55.564 1.00 90.89 C +ATOM 3536 CG ARG B 386 1.681 93.230 55.686 1.00 93.95 C +ATOM 3537 CD ARG B 386 2.246 94.181 56.733 1.00 95.77 C +ATOM 3538 NE ARG B 386 1.632 95.505 56.687 1.00 96.72 N +ATOM 3539 CZ ARG B 386 2.028 96.535 57.430 1.00 97.73 C +ATOM 3540 NH1 ARG B 386 3.037 96.392 58.279 1.00 97.41 N +ATOM 3541 NH2 ARG B 386 1.421 97.710 57.322 1.00 97.83 N +ATOM 3542 N LEU B 387 2.728 91.772 52.081 1.00 95.98 N +ATOM 3543 CA LEU B 387 2.449 92.543 50.874 1.00 99.89 C +ATOM 3544 C LEU B 387 3.150 92.098 49.589 1.00102.93 C +ATOM 3545 O LEU B 387 2.554 92.136 48.510 1.00104.09 O +ATOM 3546 CB LEU B 387 2.756 94.022 51.144 1.00 98.96 C +ATOM 3547 CG LEU B 387 3.996 94.333 51.993 1.00 98.28 C +ATOM 3548 CD1 LEU B 387 5.267 93.986 51.236 1.00 97.78 C +ATOM 3549 CD2 LEU B 387 3.992 95.803 52.361 1.00 98.14 C +ATOM 3550 N MET B 388 4.407 91.680 49.699 1.00105.85 N +ATOM 3551 CA MET B 388 5.177 91.256 48.532 1.00107.68 C +ATOM 3552 C MET B 388 4.792 89.870 48.025 1.00108.48 C +ATOM 3553 O MET B 388 5.165 88.855 48.613 1.00109.34 O +ATOM 3554 CB MET B 388 6.676 91.300 48.854 1.00108.44 C +ATOM 3555 CG MET B 388 7.590 90.839 47.725 1.00108.77 C +ATOM 3556 SD MET B 388 8.091 89.110 47.867 1.00109.33 S +ATOM 3557 CE MET B 388 9.663 89.289 48.714 1.00105.50 C +ATOM 3558 N THR B 389 4.042 89.840 46.927 1.00108.91 N +ATOM 3559 CA THR B 389 3.608 88.585 46.324 1.00109.26 C +ATOM 3560 C THR B 389 4.803 87.844 45.727 1.00109.02 C +ATOM 3561 O THR B 389 5.945 88.282 45.862 1.00108.94 O +ATOM 3562 CB THR B 389 2.553 88.839 45.217 1.00109.72 C +ATOM 3563 OG1 THR B 389 2.282 87.617 44.516 1.00108.56 O +ATOM 3564 CG2 THR B 389 3.046 89.897 44.240 1.00109.05 C +ATOM 3565 N GLY B 390 4.537 86.718 45.074 1.00108.54 N +ATOM 3566 CA GLY B 390 5.610 85.950 44.472 1.00107.43 C +ATOM 3567 C GLY B 390 5.700 84.538 45.010 1.00107.08 C +ATOM 3568 O GLY B 390 5.191 84.240 46.092 1.00107.57 O +ATOM 3569 N ASP B 391 6.361 83.668 44.252 1.00106.09 N +ATOM 3570 CA ASP B 391 6.530 82.270 44.632 1.00103.55 C +ATOM 3571 C ASP B 391 7.237 82.178 45.984 1.00100.42 C +ATOM 3572 O ASP B 391 7.327 81.105 46.583 1.00 99.63 O +ATOM 3573 CB ASP B 391 7.344 81.537 43.563 1.00105.12 C +ATOM 3574 CG ASP B 391 7.140 80.036 43.602 1.00107.68 C +ATOM 3575 OD1 ASP B 391 7.918 79.311 42.944 1.00108.66 O +ATOM 3576 OD2 ASP B 391 6.195 79.581 44.280 1.00108.47 O +ATOM 3577 N THR B 392 7.738 83.318 46.454 1.00 96.37 N +ATOM 3578 CA THR B 392 8.428 83.391 47.732 1.00 92.38 C +ATOM 3579 C THR B 392 7.475 83.004 48.850 1.00 90.43 C +ATOM 3580 O THR B 392 7.679 81.999 49.527 1.00 89.91 O +ATOM 3581 CB THR B 392 8.945 84.812 48.024 1.00 91.96 C +ATOM 3582 OG1 THR B 392 9.865 85.212 47.002 1.00 91.73 O +ATOM 3583 CG2 THR B 392 9.643 84.850 49.372 1.00 90.52 C +ATOM 3584 N TYR B 393 6.435 83.805 49.054 1.00 88.33 N +ATOM 3585 CA TYR B 393 5.484 83.500 50.110 1.00 87.81 C +ATOM 3586 C TYR B 393 4.281 82.724 49.614 1.00 88.50 C +ATOM 3587 O TYR B 393 3.725 83.004 48.552 1.00 87.91 O +ATOM 3588 CB TYR B 393 5.041 84.773 50.823 1.00 84.96 C +ATOM 3589 CG TYR B 393 6.185 85.463 51.516 1.00 81.76 C +ATOM 3590 CD1 TYR B 393 6.928 86.443 50.860 1.00 79.05 C +ATOM 3591 CD2 TYR B 393 6.547 85.115 52.817 1.00 79.35 C +ATOM 3592 CE1 TYR B 393 8.001 87.063 51.480 1.00 77.45 C +ATOM 3593 CE2 TYR B 393 7.623 85.728 53.451 1.00 77.45 C +ATOM 3594 CZ TYR B 393 8.345 86.704 52.775 1.00 77.81 C +ATOM 3595 OH TYR B 393 9.405 87.331 53.389 1.00 73.09 O +ATOM 3596 N THR B 394 3.885 81.743 50.411 1.00 88.86 N +ATOM 3597 CA THR B 394 2.772 80.877 50.078 1.00 90.08 C +ATOM 3598 C THR B 394 1.830 80.741 51.265 1.00 90.30 C +ATOM 3599 O THR B 394 2.140 81.197 52.363 1.00 90.29 O +ATOM 3600 CB THR B 394 3.311 79.491 49.664 1.00 90.77 C +ATOM 3601 OG1 THR B 394 3.947 79.597 48.385 1.00 90.67 O +ATOM 3602 CG2 THR B 394 2.205 78.461 49.607 1.00 91.02 C +ATOM 3603 N ALA B 395 0.683 80.108 51.032 1.00 92.17 N +ATOM 3604 CA ALA B 395 -0.330 79.894 52.062 1.00 93.30 C +ATOM 3605 C ALA B 395 0.110 78.906 53.144 1.00 94.85 C +ATOM 3606 O ALA B 395 0.607 77.816 52.850 1.00 95.37 O +ATOM 3607 CB ALA B 395 -1.619 79.412 51.418 1.00 92.96 C +ATOM 3608 N HIS B 396 -0.096 79.294 54.400 1.00 96.13 N +ATOM 3609 CA HIS B 396 0.285 78.465 55.537 1.00 97.49 C +ATOM 3610 C HIS B 396 -0.261 79.037 56.841 1.00 97.02 C +ATOM 3611 O HIS B 396 -0.073 80.220 57.138 1.00 96.46 O +ATOM 3612 CB HIS B 396 1.808 78.377 55.606 1.00100.00 C +ATOM 3613 CG HIS B 396 2.318 77.268 56.469 1.00103.17 C +ATOM 3614 ND1 HIS B 396 2.308 77.324 57.848 1.00105.51 N +ATOM 3615 CD2 HIS B 396 2.879 76.081 56.145 1.00104.07 C +ATOM 3616 CE1 HIS B 396 2.846 76.219 58.333 1.00105.21 C +ATOM 3617 NE2 HIS B 396 3.201 75.448 57.321 1.00105.24 N +ATOM 3618 N ALA B 397 -0.919 78.182 57.620 1.00 96.42 N +ATOM 3619 CA ALA B 397 -1.510 78.584 58.889 1.00 95.22 C +ATOM 3620 C ALA B 397 -2.421 79.762 58.603 1.00 94.55 C +ATOM 3621 O ALA B 397 -2.515 80.707 59.388 1.00 95.07 O +ATOM 3622 CB ALA B 397 -0.426 78.976 59.875 1.00 94.46 C +ATOM 3623 N GLY B 398 -3.087 79.690 57.456 1.00 93.37 N +ATOM 3624 CA GLY B 398 -3.985 80.751 57.051 1.00 92.57 C +ATOM 3625 C GLY B 398 -3.207 81.961 56.573 1.00 92.15 C +ATOM 3626 O GLY B 398 -3.670 82.704 55.706 1.00 93.22 O +ATOM 3627 N ALA B 399 -2.021 82.159 57.142 1.00 90.20 N +ATOM 3628 CA ALA B 399 -1.160 83.279 56.775 1.00 86.69 C +ATOM 3629 C ALA B 399 -0.246 82.850 55.633 1.00 83.96 C +ATOM 3630 O ALA B 399 -0.533 81.878 54.934 1.00 82.76 O +ATOM 3631 CB ALA B 399 -0.330 83.722 57.977 1.00 86.13 C +ATOM 3632 N LYS B 400 0.848 83.577 55.435 1.00 80.89 N +ATOM 3633 CA LYS B 400 1.785 83.237 54.373 1.00 77.37 C +ATOM 3634 C LYS B 400 3.196 83.069 54.909 1.00 74.19 C +ATOM 3635 O LYS B 400 3.632 83.820 55.776 1.00 72.06 O +ATOM 3636 CB LYS B 400 1.761 84.300 53.271 1.00 78.88 C +ATOM 3637 CG LYS B 400 0.458 84.337 52.487 1.00 79.79 C +ATOM 3638 CD LYS B 400 0.579 85.204 51.247 1.00 82.91 C +ATOM 3639 CE LYS B 400 -0.699 85.165 50.423 1.00 83.71 C +ATOM 3640 NZ LYS B 400 -0.578 85.965 49.173 1.00 83.83 N +ATOM 3641 N PHE B 401 3.903 82.075 54.380 1.00 73.11 N +ATOM 3642 CA PHE B 401 5.268 81.778 54.800 1.00 71.48 C +ATOM 3643 C PHE B 401 6.141 81.423 53.602 1.00 68.24 C +ATOM 3644 O PHE B 401 5.652 80.894 52.604 1.00 69.79 O +ATOM 3645 CB PHE B 401 5.273 80.593 55.777 1.00 76.06 C +ATOM 3646 CG PHE B 401 4.671 80.898 57.124 1.00 80.39 C +ATOM 3647 CD1 PHE B 401 4.005 79.905 57.836 1.00 81.97 C +ATOM 3648 CD2 PHE B 401 4.787 82.164 57.694 1.00 82.77 C +ATOM 3649 CE1 PHE B 401 3.462 80.169 59.093 1.00 83.90 C +ATOM 3650 CE2 PHE B 401 4.248 82.437 58.950 1.00 82.28 C +ATOM 3651 CZ PHE B 401 3.585 81.439 59.650 1.00 83.17 C +ATOM 3652 N PRO B 402 7.446 81.731 53.678 1.00 64.67 N +ATOM 3653 CA PRO B 402 8.375 81.422 52.587 1.00 60.15 C +ATOM 3654 C PRO B 402 8.840 79.978 52.780 1.00 57.73 C +ATOM 3655 O PRO B 402 9.864 79.720 53.416 1.00 57.02 O +ATOM 3656 CB PRO B 402 9.489 82.436 52.797 1.00 61.76 C +ATOM 3657 CG PRO B 402 9.562 82.521 54.288 1.00 61.06 C +ATOM 3658 CD PRO B 402 8.099 82.579 54.694 1.00 63.09 C +ATOM 3659 N ILE B 403 8.062 79.046 52.237 1.00 54.84 N +ATOM 3660 CA ILE B 403 8.329 77.615 52.352 1.00 49.28 C +ATOM 3661 C ILE B 403 9.788 77.196 52.181 1.00 46.51 C +ATOM 3662 O ILE B 403 10.310 76.417 52.979 1.00 46.17 O +ATOM 3663 CB ILE B 403 7.473 76.822 51.343 1.00 53.22 C +ATOM 3664 CG1 ILE B 403 5.990 77.127 51.569 1.00 56.68 C +ATOM 3665 CG2 ILE B 403 7.728 75.331 51.496 1.00 54.57 C +ATOM 3666 CD1 ILE B 403 5.478 76.726 52.943 1.00 60.66 C +ATOM 3667 N LYS B 404 10.449 77.710 51.150 1.00 43.32 N +ATOM 3668 CA LYS B 404 11.839 77.345 50.897 1.00 45.29 C +ATOM 3669 C LYS B 404 12.862 77.845 51.927 1.00 45.08 C +ATOM 3670 O LYS B 404 14.029 77.462 51.874 1.00 40.37 O +ATOM 3671 CB LYS B 404 12.253 77.799 49.495 1.00 47.44 C +ATOM 3672 CG LYS B 404 11.600 77.010 48.364 1.00 51.71 C +ATOM 3673 CD LYS B 404 12.136 77.457 47.010 1.00 59.07 C +ATOM 3674 CE LYS B 404 11.398 76.797 45.852 1.00 63.83 C +ATOM 3675 NZ LYS B 404 11.518 75.316 45.872 1.00 66.28 N +ATOM 3676 N TRP B 405 12.421 78.690 52.857 1.00 43.26 N +ATOM 3677 CA TRP B 405 13.287 79.230 53.914 1.00 44.35 C +ATOM 3678 C TRP B 405 12.816 78.714 55.275 1.00 45.92 C +ATOM 3679 O TRP B 405 13.487 78.902 56.289 1.00 46.80 O +ATOM 3680 CB TRP B 405 13.220 80.766 53.931 1.00 41.89 C +ATOM 3681 CG TRP B 405 14.113 81.469 52.947 1.00 37.51 C +ATOM 3682 CD1 TRP B 405 15.362 81.976 53.188 1.00 41.01 C +ATOM 3683 CD2 TRP B 405 13.824 81.756 51.572 1.00 40.95 C +ATOM 3684 NE1 TRP B 405 15.866 82.564 52.051 1.00 38.04 N +ATOM 3685 CE2 TRP B 405 14.943 82.443 51.044 1.00 39.54 C +ATOM 3686 CE3 TRP B 405 12.727 81.503 50.734 1.00 39.21 C +ATOM 3687 CZ2 TRP B 405 14.994 82.879 49.716 1.00 37.01 C +ATOM 3688 CZ3 TRP B 405 12.780 81.938 49.414 1.00 37.12 C +ATOM 3689 CH2 TRP B 405 13.905 82.619 48.920 1.00 41.36 C +ATOM 3690 N THR B 406 11.663 78.053 55.282 1.00 45.75 N +ATOM 3691 CA THR B 406 11.053 77.548 56.507 1.00 45.29 C +ATOM 3692 C THR B 406 11.493 76.167 56.975 1.00 45.66 C +ATOM 3693 O THR B 406 11.519 75.208 56.203 1.00 45.29 O +ATOM 3694 CB THR B 406 9.529 77.543 56.367 1.00 45.72 C +ATOM 3695 OG1 THR B 406 9.095 78.843 55.952 1.00 49.87 O +ATOM 3696 CG2 THR B 406 8.869 77.184 57.689 1.00 49.56 C +ATOM 3697 N ALA B 407 11.810 76.080 58.264 1.00 44.67 N +ATOM 3698 CA ALA B 407 12.258 74.839 58.886 1.00 43.43 C +ATOM 3699 C ALA B 407 11.137 73.786 58.939 1.00 45.39 C +ATOM 3700 O ALA B 407 9.954 74.122 59.030 1.00 36.97 O +ATOM 3701 CB ALA B 407 12.770 75.135 60.293 1.00 36.35 C +ATOM 3702 N PRO B 408 11.503 72.496 58.881 1.00 47.56 N +ATOM 3703 CA PRO B 408 10.539 71.388 58.922 1.00 49.63 C +ATOM 3704 C PRO B 408 9.515 71.499 60.052 1.00 50.38 C +ATOM 3705 O PRO B 408 8.307 71.433 59.810 1.00 51.33 O +ATOM 3706 CB PRO B 408 11.435 70.163 59.075 1.00 52.37 C +ATOM 3707 CG PRO B 408 12.646 70.551 58.281 1.00 52.18 C +ATOM 3708 CD PRO B 408 12.876 71.989 58.711 1.00 47.72 C +ATOM 3709 N GLU B 409 10.001 71.669 61.279 1.00 47.91 N +ATOM 3710 CA GLU B 409 9.127 71.780 62.443 1.00 47.85 C +ATOM 3711 C GLU B 409 8.154 72.949 62.306 1.00 49.49 C +ATOM 3712 O GLU B 409 7.024 72.886 62.796 1.00 51.37 O +ATOM 3713 CB GLU B 409 9.954 71.976 63.714 1.00 50.73 C +ATOM 3714 CG GLU B 409 10.641 73.333 63.782 1.00 49.30 C +ATOM 3715 CD GLU B 409 12.117 73.270 63.443 1.00 49.71 C +ATOM 3716 OE1 GLU B 409 12.510 72.407 62.631 1.00 51.12 O +ATOM 3717 OE2 GLU B 409 12.883 74.095 63.983 1.00 51.98 O +ATOM 3718 N SER B 410 8.603 74.018 61.652 1.00 44.40 N +ATOM 3719 CA SER B 410 7.776 75.204 61.454 1.00 45.83 C +ATOM 3720 C SER B 410 6.685 74.939 60.424 1.00 46.48 C +ATOM 3721 O SER B 410 5.587 75.477 60.523 1.00 48.07 O +ATOM 3722 CB SER B 410 8.639 76.385 60.992 1.00 44.33 C +ATOM 3723 OG SER B 410 9.675 76.658 61.922 1.00 43.10 O +ATOM 3724 N LEU B 411 7.001 74.117 59.428 1.00 47.38 N +ATOM 3725 CA LEU B 411 6.041 73.769 58.386 1.00 49.69 C +ATOM 3726 C LEU B 411 4.993 72.780 58.900 1.00 50.59 C +ATOM 3727 O LEU B 411 3.801 72.933 58.633 1.00 49.41 O +ATOM 3728 CB LEU B 411 6.764 73.159 57.178 1.00 48.27 C +ATOM 3729 CG LEU B 411 7.581 74.106 56.288 1.00 45.55 C +ATOM 3730 CD1 LEU B 411 8.377 73.319 55.249 1.00 45.56 C +ATOM 3731 CD2 LEU B 411 6.642 75.077 55.611 1.00 46.75 C +ATOM 3732 N ALA B 412 5.440 71.783 59.656 1.00 52.49 N +ATOM 3733 CA ALA B 412 4.548 70.749 60.177 1.00 57.20 C +ATOM 3734 C ALA B 412 3.726 71.100 61.417 1.00 59.67 C +ATOM 3735 O ALA B 412 2.547 70.746 61.495 1.00 59.80 O +ATOM 3736 CB ALA B 412 5.345 69.472 60.437 1.00 55.68 C +ATOM 3737 N TYR B 413 4.332 71.787 62.383 1.00 61.57 N +ATOM 3738 CA TYR B 413 3.617 72.131 63.611 1.00 62.41 C +ATOM 3739 C TYR B 413 3.602 73.622 63.935 1.00 60.98 C +ATOM 3740 O TYR B 413 3.224 74.019 65.039 1.00 54.23 O +ATOM 3741 CB TYR B 413 4.216 71.361 64.792 1.00 66.43 C +ATOM 3742 CG TYR B 413 4.663 69.960 64.436 1.00 72.86 C +ATOM 3743 CD1 TYR B 413 5.924 69.730 63.882 1.00 75.43 C +ATOM 3744 CD2 TYR B 413 3.817 68.868 64.622 1.00 75.63 C +ATOM 3745 CE1 TYR B 413 6.331 68.443 63.522 1.00 77.75 C +ATOM 3746 CE2 TYR B 413 4.213 67.576 64.263 1.00 78.28 C +ATOM 3747 CZ TYR B 413 5.471 67.371 63.714 1.00 78.89 C +ATOM 3748 OH TYR B 413 5.864 66.100 63.356 1.00 79.66 O +ATOM 3749 N ASN B 414 4.007 74.443 62.972 1.00 60.67 N +ATOM 3750 CA ASN B 414 4.038 75.890 63.163 1.00 62.84 C +ATOM 3751 C ASN B 414 4.831 76.309 64.395 1.00 60.64 C +ATOM 3752 O ASN B 414 4.504 77.299 65.046 1.00 57.18 O +ATOM 3753 CB ASN B 414 2.614 76.438 63.258 1.00 67.26 C +ATOM 3754 CG ASN B 414 1.893 76.419 61.928 1.00 73.04 C +ATOM 3755 OD1 ASN B 414 2.031 77.338 61.118 1.00 76.92 O +ATOM 3756 ND2 ASN B 414 1.123 75.364 61.692 1.00 73.40 N +ATOM 3757 N LYS B 415 5.875 75.551 64.711 1.00 59.71 N +ATOM 3758 CA LYS B 415 6.718 75.862 65.856 1.00 59.77 C +ATOM 3759 C LYS B 415 7.915 76.696 65.413 1.00 58.43 C +ATOM 3760 O LYS B 415 8.851 76.186 64.792 1.00 58.59 O +ATOM 3761 CB LYS B 415 7.201 74.574 66.529 1.00 64.86 C +ATOM 3762 CG LYS B 415 6.091 73.781 67.207 1.00 71.55 C +ATOM 3763 CD LYS B 415 6.595 72.447 67.744 1.00 76.07 C +ATOM 3764 CE LYS B 415 5.465 71.656 68.389 1.00 78.31 C +ATOM 3765 NZ LYS B 415 5.894 70.292 68.808 1.00 78.93 N +ATOM 3766 N PHE B 416 7.871 77.985 65.723 1.00 53.98 N +ATOM 3767 CA PHE B 416 8.957 78.886 65.369 1.00 52.76 C +ATOM 3768 C PHE B 416 9.841 79.144 66.576 1.00 51.11 C +ATOM 3769 O PHE B 416 9.355 79.300 67.693 1.00 52.83 O +ATOM 3770 CB PHE B 416 8.413 80.218 64.857 1.00 50.17 C +ATOM 3771 CG PHE B 416 7.721 80.121 63.534 1.00 54.39 C +ATOM 3772 CD1 PHE B 416 6.405 79.681 63.452 1.00 54.94 C +ATOM 3773 CD2 PHE B 416 8.385 80.478 62.366 1.00 54.34 C +ATOM 3774 CE1 PHE B 416 5.759 79.601 62.221 1.00 56.03 C +ATOM 3775 CE2 PHE B 416 7.751 80.401 61.132 1.00 55.73 C +ATOM 3776 CZ PHE B 416 6.435 79.963 61.058 1.00 55.82 C +ATOM 3777 N SER B 417 11.144 79.191 66.349 1.00 47.39 N +ATOM 3778 CA SER B 417 12.076 79.439 67.434 1.00 47.42 C +ATOM 3779 C SER B 417 13.384 79.974 66.874 1.00 47.40 C +ATOM 3780 O SER B 417 13.507 80.230 65.677 1.00 47.39 O +ATOM 3781 CB SER B 417 12.339 78.149 68.222 1.00 43.71 C +ATOM 3782 OG SER B 417 13.054 77.208 67.441 1.00 39.03 O +ATOM 3783 N ILE B 418 14.361 80.136 67.753 1.00 47.40 N +ATOM 3784 CA ILE B 418 15.661 80.633 67.355 1.00 48.26 C +ATOM 3785 C ILE B 418 16.301 79.617 66.401 1.00 45.79 C +ATOM 3786 O ILE B 418 17.032 79.987 65.479 1.00 44.19 O +ATOM 3787 CB ILE B 418 16.549 80.860 68.608 1.00 46.43 C +ATOM 3788 CG1 ILE B 418 17.400 82.114 68.417 1.00 48.11 C +ATOM 3789 CG2 ILE B 418 17.412 79.640 68.884 1.00 45.13 C +ATOM 3790 CD1 ILE B 418 18.308 82.069 67.227 1.00 48.96 C +ATOM 3791 N LYS B 419 16.007 78.336 66.615 1.00 46.30 N +ATOM 3792 CA LYS B 419 16.556 77.279 65.771 1.00 44.64 C +ATOM 3793 C LYS B 419 15.925 77.267 64.379 1.00 44.82 C +ATOM 3794 O LYS B 419 16.535 76.788 63.421 1.00 47.43 O +ATOM 3795 CB LYS B 419 16.379 75.915 66.440 1.00 47.35 C +ATOM 3796 CG LYS B 419 17.202 75.736 67.709 1.00 49.72 C +ATOM 3797 CD LYS B 419 18.691 75.849 67.421 1.00 47.13 C +ATOM 3798 CE LYS B 419 19.519 75.550 68.656 1.00 45.98 C +ATOM 3799 NZ LYS B 419 20.958 75.832 68.401 1.00 49.71 N +ATOM 3800 N SER B 420 14.707 77.782 64.258 1.00 41.60 N +ATOM 3801 CA SER B 420 14.077 77.832 62.946 1.00 43.13 C +ATOM 3802 C SER B 420 14.754 78.976 62.193 1.00 41.45 C +ATOM 3803 O SER B 420 14.919 78.912 60.975 1.00 41.75 O +ATOM 3804 CB SER B 420 12.558 78.045 63.055 1.00 41.00 C +ATOM 3805 OG SER B 420 12.223 79.222 63.764 1.00 52.30 O +ATOM 3806 N ASP B 421 15.164 80.016 62.921 1.00 39.77 N +ATOM 3807 CA ASP B 421 15.873 81.126 62.292 1.00 37.44 C +ATOM 3808 C ASP B 421 17.214 80.577 61.810 1.00 37.08 C +ATOM 3809 O ASP B 421 17.734 80.999 60.778 1.00 36.38 O +ATOM 3810 CB ASP B 421 16.146 82.266 63.279 1.00 39.97 C +ATOM 3811 CG ASP B 421 14.912 83.085 63.597 1.00 46.97 C +ATOM 3812 OD1 ASP B 421 13.957 83.090 62.787 1.00 47.16 O +ATOM 3813 OD2 ASP B 421 14.912 83.746 64.661 1.00 50.54 O +ATOM 3814 N VAL B 422 17.775 79.637 62.567 1.00 33.02 N +ATOM 3815 CA VAL B 422 19.054 79.035 62.198 1.00 36.44 C +ATOM 3816 C VAL B 422 18.945 78.272 60.875 1.00 38.23 C +ATOM 3817 O VAL B 422 19.888 78.250 60.083 1.00 40.47 O +ATOM 3818 CB VAL B 422 19.568 78.071 63.298 1.00 37.51 C +ATOM 3819 CG1 VAL B 422 20.818 77.337 62.812 1.00 36.35 C +ATOM 3820 CG2 VAL B 422 19.881 78.853 64.572 1.00 34.87 C +ATOM 3821 N TRP B 423 17.796 77.647 60.631 1.00 38.90 N +ATOM 3822 CA TRP B 423 17.611 76.911 59.382 1.00 37.96 C +ATOM 3823 C TRP B 423 17.557 77.922 58.248 1.00 33.76 C +ATOM 3824 O TRP B 423 18.247 77.775 57.243 1.00 33.02 O +ATOM 3825 CB TRP B 423 16.317 76.088 59.415 1.00 36.76 C +ATOM 3826 CG TRP B 423 15.986 75.416 58.106 1.00 42.85 C +ATOM 3827 CD1 TRP B 423 15.540 76.020 56.960 1.00 46.50 C +ATOM 3828 CD2 TRP B 423 16.056 74.012 57.816 1.00 38.45 C +ATOM 3829 NE1 TRP B 423 15.326 75.077 55.978 1.00 44.40 N +ATOM 3830 CE2 TRP B 423 15.633 73.838 56.477 1.00 41.58 C +ATOM 3831 CE3 TRP B 423 16.433 72.884 58.557 1.00 41.07 C +ATOM 3832 CZ2 TRP B 423 15.577 72.580 55.863 1.00 40.24 C +ATOM 3833 CZ3 TRP B 423 16.380 71.626 57.943 1.00 40.67 C +ATOM 3834 CH2 TRP B 423 15.955 71.489 56.612 1.00 41.80 C +ATOM 3835 N ALA B 424 16.734 78.950 58.427 1.00 33.67 N +ATOM 3836 CA ALA B 424 16.577 79.995 57.428 1.00 36.84 C +ATOM 3837 C ALA B 424 17.920 80.673 57.147 1.00 39.93 C +ATOM 3838 O ALA B 424 18.171 81.120 56.029 1.00 41.78 O +ATOM 3839 CB ALA B 424 15.538 81.024 57.904 1.00 35.37 C +ATOM 3840 N PHE B 425 18.785 80.743 58.157 1.00 41.75 N +ATOM 3841 CA PHE B 425 20.099 81.359 57.977 1.00 43.51 C +ATOM 3842 C PHE B 425 20.921 80.510 57.013 1.00 44.33 C +ATOM 3843 O PHE B 425 21.627 81.034 56.150 1.00 44.00 O +ATOM 3844 CB PHE B 425 20.846 81.465 59.309 1.00 41.03 C +ATOM 3845 CG PHE B 425 22.227 82.054 59.179 1.00 40.39 C +ATOM 3846 CD1 PHE B 425 22.396 83.408 58.902 1.00 41.59 C +ATOM 3847 CD2 PHE B 425 23.355 81.250 59.297 1.00 36.50 C +ATOM 3848 CE1 PHE B 425 23.675 83.954 58.742 1.00 40.99 C +ATOM 3849 CE2 PHE B 425 24.636 81.785 59.139 1.00 42.92 C +ATOM 3850 CZ PHE B 425 24.795 83.139 58.861 1.00 39.73 C +ATOM 3851 N GLY B 426 20.833 79.192 57.177 1.00 45.81 N +ATOM 3852 CA GLY B 426 21.560 78.288 56.304 1.00 40.63 C +ATOM 3853 C GLY B 426 21.194 78.540 54.852 1.00 40.02 C +ATOM 3854 O GLY B 426 22.050 78.486 53.969 1.00 40.34 O +ATOM 3855 N VAL B 427 19.918 78.812 54.598 1.00 34.79 N +ATOM 3856 CA VAL B 427 19.468 79.084 53.242 1.00 37.36 C +ATOM 3857 C VAL B 427 20.017 80.443 52.823 1.00 38.06 C +ATOM 3858 O VAL B 427 20.434 80.625 51.681 1.00 39.05 O +ATOM 3859 CB VAL B 427 17.925 79.092 53.147 1.00 39.99 C +ATOM 3860 CG1 VAL B 427 17.485 79.341 51.708 1.00 37.02 C +ATOM 3861 CG2 VAL B 427 17.371 77.764 53.631 1.00 40.07 C +ATOM 3862 N LEU B 428 20.021 81.396 53.754 1.00 39.64 N +ATOM 3863 CA LEU B 428 20.543 82.727 53.469 1.00 36.14 C +ATOM 3864 C LEU B 428 22.005 82.592 53.062 1.00 34.95 C +ATOM 3865 O LEU B 428 22.488 83.329 52.208 1.00 39.78 O +ATOM 3866 CB LEU B 428 20.410 83.634 54.698 1.00 38.86 C +ATOM 3867 CG LEU B 428 21.080 85.016 54.681 1.00 37.61 C +ATOM 3868 CD1 LEU B 428 20.808 85.753 53.380 1.00 37.71 C +ATOM 3869 CD2 LEU B 428 20.552 85.825 55.855 1.00 41.60 C +ATOM 3870 N LEU B 429 22.701 81.641 53.676 1.00 35.82 N +ATOM 3871 CA LEU B 429 24.100 81.384 53.359 1.00 38.01 C +ATOM 3872 C LEU B 429 24.203 80.876 51.930 1.00 42.21 C +ATOM 3873 O LEU B 429 25.123 81.235 51.189 1.00 41.90 O +ATOM 3874 CB LEU B 429 24.682 80.326 54.294 1.00 38.19 C +ATOM 3875 CG LEU B 429 25.458 80.788 55.523 1.00 41.65 C +ATOM 3876 CD1 LEU B 429 26.068 79.571 56.206 1.00 43.36 C +ATOM 3877 CD2 LEU B 429 26.555 81.767 55.104 1.00 43.09 C +ATOM 3878 N TRP B 430 23.254 80.025 51.552 1.00 41.28 N +ATOM 3879 CA TRP B 430 23.227 79.465 50.211 1.00 42.13 C +ATOM 3880 C TRP B 430 22.981 80.587 49.197 1.00 44.07 C +ATOM 3881 O TRP B 430 23.538 80.581 48.100 1.00 45.20 O +ATOM 3882 CB TRP B 430 22.125 78.418 50.111 1.00 43.08 C +ATOM 3883 CG TRP B 430 22.156 77.657 48.835 1.00 49.45 C +ATOM 3884 CD1 TRP B 430 22.866 76.520 48.570 1.00 47.92 C +ATOM 3885 CD2 TRP B 430 21.468 77.992 47.628 1.00 49.72 C +ATOM 3886 NE1 TRP B 430 22.662 76.127 47.271 1.00 48.22 N +ATOM 3887 CE2 TRP B 430 21.807 77.013 46.669 1.00 50.02 C +ATOM 3888 CE3 TRP B 430 20.597 79.028 47.261 1.00 49.58 C +ATOM 3889 CZ2 TRP B 430 21.304 77.037 45.365 1.00 48.11 C +ATOM 3890 CZ3 TRP B 430 20.098 79.052 45.966 1.00 52.83 C +ATOM 3891 CH2 TRP B 430 20.455 78.060 45.033 1.00 49.33 C +ATOM 3892 N GLU B 431 22.147 81.551 49.575 1.00 43.13 N +ATOM 3893 CA GLU B 431 21.842 82.683 48.708 1.00 46.13 C +ATOM 3894 C GLU B 431 23.085 83.529 48.457 1.00 47.35 C +ATOM 3895 O GLU B 431 23.356 83.929 47.326 1.00 52.17 O +ATOM 3896 CB GLU B 431 20.781 83.587 49.334 1.00 42.28 C +ATOM 3897 CG GLU B 431 19.443 82.951 49.615 1.00 42.51 C +ATOM 3898 CD GLU B 431 18.411 83.993 50.017 1.00 43.26 C +ATOM 3899 OE1 GLU B 431 18.001 84.785 49.142 1.00 42.72 O +ATOM 3900 OE2 GLU B 431 18.023 84.037 51.207 1.00 40.21 O +ATOM 3901 N ILE B 432 23.825 83.819 49.522 1.00 45.89 N +ATOM 3902 CA ILE B 432 25.032 84.627 49.412 1.00 43.12 C +ATOM 3903 C ILE B 432 26.083 83.903 48.574 1.00 45.83 C +ATOM 3904 O ILE B 432 26.733 84.504 47.716 1.00 46.60 O +ATOM 3905 CB ILE B 432 25.605 84.956 50.815 1.00 42.29 C +ATOM 3906 CG1 ILE B 432 24.607 85.839 51.581 1.00 41.69 C +ATOM 3907 CG2 ILE B 432 26.968 85.648 50.686 1.00 37.88 C +ATOM 3908 CD1 ILE B 432 25.041 86.197 53.007 1.00 38.55 C +ATOM 3909 N ALA B 433 26.237 82.607 48.819 1.00 47.49 N +ATOM 3910 CA ALA B 433 27.200 81.802 48.083 1.00 46.38 C +ATOM 3911 C ALA B 433 26.891 81.796 46.591 1.00 46.90 C +ATOM 3912 O ALA B 433 27.804 81.747 45.769 1.00 47.19 O +ATOM 3913 CB ALA B 433 27.202 80.371 48.615 1.00 45.44 C +ATOM 3914 N THR B 434 25.607 81.863 46.243 1.00 43.96 N +ATOM 3915 CA THR B 434 25.201 81.833 44.839 1.00 43.74 C +ATOM 3916 C THR B 434 24.974 83.204 44.218 1.00 44.33 C +ATOM 3917 O THR B 434 24.612 83.302 43.046 1.00 44.15 O +ATOM 3918 CB THR B 434 23.901 81.020 44.649 1.00 46.56 C +ATOM 3919 OG1 THR B 434 22.815 81.699 45.294 1.00 44.62 O +ATOM 3920 CG2 THR B 434 24.048 79.624 45.241 1.00 42.53 C +ATOM 3921 N TYR B 435 25.179 84.259 45.000 1.00 42.75 N +ATOM 3922 CA TYR B 435 24.975 85.618 44.518 1.00 41.36 C +ATOM 3923 C TYR B 435 23.514 85.931 44.217 1.00 41.88 C +ATOM 3924 O TYR B 435 23.209 86.592 43.224 1.00 42.26 O +ATOM 3925 CB TYR B 435 25.827 85.881 43.270 1.00 41.53 C +ATOM 3926 CG TYR B 435 27.297 86.077 43.569 1.00 40.59 C +ATOM 3927 CD1 TYR B 435 27.784 87.313 44.010 1.00 39.66 C +ATOM 3928 CD2 TYR B 435 28.195 85.023 43.442 1.00 39.60 C +ATOM 3929 CE1 TYR B 435 29.132 87.489 44.315 1.00 35.84 C +ATOM 3930 CE2 TYR B 435 29.546 85.184 43.751 1.00 40.26 C +ATOM 3931 CZ TYR B 435 30.005 86.418 44.188 1.00 39.80 C +ATOM 3932 OH TYR B 435 31.328 86.569 44.523 1.00 41.31 O +ATOM 3933 N GLY B 436 22.609 85.444 45.062 1.00 42.17 N +ATOM 3934 CA GLY B 436 21.198 85.745 44.870 1.00 40.66 C +ATOM 3935 C GLY B 436 20.298 84.772 44.127 1.00 43.38 C +ATOM 3936 O GLY B 436 19.208 85.157 43.697 1.00 43.79 O +ATOM 3937 N MET B 437 20.722 83.524 43.965 1.00 42.83 N +ATOM 3938 CA MET B 437 19.885 82.549 43.273 1.00 49.56 C +ATOM 3939 C MET B 437 18.720 82.117 44.150 1.00 50.64 C +ATOM 3940 O MET B 437 18.804 82.156 45.373 1.00 51.38 O +ATOM 3941 CB MET B 437 20.692 81.308 42.884 1.00 54.72 C +ATOM 3942 CG MET B 437 21.568 81.470 41.655 1.00 61.08 C +ATOM 3943 SD MET B 437 22.231 79.874 41.117 1.00 72.83 S +ATOM 3944 CE MET B 437 20.785 79.169 40.303 1.00 70.56 C +ATOM 3945 N SER B 438 17.631 81.702 43.518 1.00 53.01 N +ATOM 3946 CA SER B 438 16.461 81.241 44.249 1.00 54.54 C +ATOM 3947 C SER B 438 16.759 79.850 44.800 1.00 54.75 C +ATOM 3948 O SER B 438 17.398 79.038 44.131 1.00 57.07 O +ATOM 3949 CB SER B 438 15.257 81.183 43.315 1.00 57.64 C +ATOM 3950 OG SER B 438 15.042 82.442 42.709 1.00 62.90 O +ATOM 3951 N PRO B 439 16.310 79.560 46.033 1.00 53.51 N +ATOM 3952 CA PRO B 439 16.521 78.265 46.692 1.00 50.55 C +ATOM 3953 C PRO B 439 15.781 77.130 45.980 1.00 51.54 C +ATOM 3954 O PRO B 439 14.718 77.347 45.399 1.00 49.77 O +ATOM 3955 CB PRO B 439 15.971 78.498 48.096 1.00 53.99 C +ATOM 3956 CG PRO B 439 16.103 79.972 48.288 1.00 56.68 C +ATOM 3957 CD PRO B 439 15.669 80.508 46.956 1.00 53.67 C +ATOM 3958 N TYR B 440 16.337 75.923 46.048 1.00 50.39 N +ATOM 3959 CA TYR B 440 15.742 74.752 45.404 1.00 52.12 C +ATOM 3960 C TYR B 440 15.229 75.127 44.016 1.00 50.82 C +ATOM 3961 O TYR B 440 14.044 74.994 43.720 1.00 52.03 O +ATOM 3962 CB TYR B 440 14.592 74.200 46.252 1.00 52.34 C +ATOM 3963 CG TYR B 440 14.980 73.904 47.682 1.00 51.44 C +ATOM 3964 CD1 TYR B 440 14.850 74.874 48.676 1.00 49.67 C +ATOM 3965 CD2 TYR B 440 15.516 72.666 48.035 1.00 53.25 C +ATOM 3966 CE1 TYR B 440 15.247 74.618 49.989 1.00 49.90 C +ATOM 3967 CE2 TYR B 440 15.917 72.399 49.342 1.00 51.16 C +ATOM 3968 CZ TYR B 440 15.780 73.381 50.314 1.00 50.26 C +ATOM 3969 OH TYR B 440 16.180 73.125 51.605 1.00 48.52 O +ATOM 3970 N PRO B 441 16.128 75.607 43.147 1.00 50.72 N +ATOM 3971 CA PRO B 441 15.750 76.005 41.791 1.00 50.56 C +ATOM 3972 C PRO B 441 15.180 74.865 40.953 1.00 51.83 C +ATOM 3973 O PRO B 441 15.832 73.836 40.748 1.00 51.92 O +ATOM 3974 CB PRO B 441 17.054 76.567 41.225 1.00 51.16 C +ATOM 3975 CG PRO B 441 18.102 75.764 41.935 1.00 50.37 C +ATOM 3976 CD PRO B 441 17.586 75.716 43.346 1.00 48.25 C +ATOM 3977 N GLY B 442 13.952 75.057 40.483 1.00 50.46 N +ATOM 3978 CA GLY B 442 13.300 74.055 39.664 1.00 50.72 C +ATOM 3979 C GLY B 442 12.395 73.127 40.446 1.00 50.92 C +ATOM 3980 O GLY B 442 11.463 72.550 39.887 1.00 49.75 O +ATOM 3981 N ILE B 443 12.661 72.980 41.739 1.00 51.89 N +ATOM 3982 CA ILE B 443 11.852 72.102 42.577 1.00 51.76 C +ATOM 3983 C ILE B 443 10.549 72.776 42.979 1.00 54.37 C +ATOM 3984 O ILE B 443 10.544 73.918 43.439 1.00 56.52 O +ATOM 3985 CB ILE B 443 12.611 71.694 43.842 1.00 48.10 C +ATOM 3986 CG1 ILE B 443 13.966 71.104 43.455 1.00 47.84 C +ATOM 3987 CG2 ILE B 443 11.791 70.687 44.632 1.00 47.19 C +ATOM 3988 CD1 ILE B 443 14.825 70.713 44.632 1.00 50.74 C +ATOM 3989 N ASP B 444 9.445 72.059 42.816 1.00 59.51 N +ATOM 3990 CA ASP B 444 8.138 72.602 43.149 1.00 63.91 C +ATOM 3991 C ASP B 444 7.838 72.575 44.648 1.00 63.76 C +ATOM 3992 O ASP B 444 8.008 71.556 45.319 1.00 61.45 O +ATOM 3993 CB ASP B 444 7.053 71.858 42.362 1.00 73.09 C +ATOM 3994 CG ASP B 444 7.310 71.878 40.857 1.00 81.69 C +ATOM 3995 OD1 ASP B 444 7.885 72.874 40.363 1.00 84.47 O +ATOM 3996 OD2 ASP B 444 6.928 70.907 40.167 1.00 86.76 O +ATOM 3997 N LEU B 445 7.388 73.719 45.155 1.00 61.63 N +ATOM 3998 CA LEU B 445 7.066 73.904 46.565 1.00 63.08 C +ATOM 3999 C LEU B 445 6.351 72.732 47.235 1.00 61.27 C +ATOM 4000 O LEU B 445 6.596 72.436 48.405 1.00 62.08 O +ATOM 4001 CB LEU B 445 6.226 75.172 46.733 1.00 61.68 C +ATOM 4002 CG LEU B 445 6.836 76.465 46.185 1.00 64.84 C +ATOM 4003 CD1 LEU B 445 5.871 77.615 46.420 1.00 66.55 C +ATOM 4004 CD2 LEU B 445 8.166 76.746 46.860 1.00 63.83 C +ATOM 4005 N SER B 446 5.474 72.064 46.498 1.00 60.76 N +ATOM 4006 CA SER B 446 4.720 70.941 47.048 1.00 59.35 C +ATOM 4007 C SER B 446 5.580 69.737 47.437 1.00 57.35 C +ATOM 4008 O SER B 446 5.134 68.873 48.189 1.00 57.70 O +ATOM 4009 CB SER B 446 3.655 70.492 46.046 1.00 58.49 C +ATOM 4010 OG SER B 446 4.253 70.048 44.839 1.00 59.86 O +ATOM 4011 N GLN B 447 6.807 69.680 46.929 1.00 54.81 N +ATOM 4012 CA GLN B 447 7.703 68.559 47.219 1.00 55.48 C +ATOM 4013 C GLN B 447 8.768 68.867 48.271 1.00 54.12 C +ATOM 4014 O GLN B 447 9.441 67.963 48.770 1.00 52.37 O +ATOM 4015 CB GLN B 447 8.393 68.107 45.928 1.00 53.95 C +ATOM 4016 CG GLN B 447 7.429 67.689 44.837 1.00 55.14 C +ATOM 4017 CD GLN B 447 6.638 66.459 45.218 1.00 53.26 C +ATOM 4018 OE1 GLN B 447 7.187 65.364 45.316 1.00 57.08 O +ATOM 4019 NE2 GLN B 447 5.342 66.634 45.445 1.00 52.00 N +ATOM 4020 N VAL B 448 8.915 70.143 48.606 1.00 55.02 N +ATOM 4021 CA VAL B 448 9.916 70.576 49.575 1.00 51.09 C +ATOM 4022 C VAL B 448 9.948 69.794 50.888 1.00 50.08 C +ATOM 4023 O VAL B 448 10.990 69.251 51.262 1.00 48.91 O +ATOM 4024 CB VAL B 448 9.751 72.074 49.888 1.00 51.50 C +ATOM 4025 CG1 VAL B 448 10.746 72.501 50.951 1.00 50.05 C +ATOM 4026 CG2 VAL B 448 9.951 72.885 48.613 1.00 49.00 C +ATOM 4027 N TYR B 449 8.823 69.728 51.591 1.00 49.33 N +ATOM 4028 CA TYR B 449 8.805 69.016 52.864 1.00 50.76 C +ATOM 4029 C TYR B 449 9.240 67.560 52.751 1.00 50.84 C +ATOM 4030 O TYR B 449 10.174 67.135 53.430 1.00 49.36 O +ATOM 4031 CB TYR B 449 7.419 69.061 53.516 1.00 48.45 C +ATOM 4032 CG TYR B 449 7.443 68.536 54.938 1.00 46.80 C +ATOM 4033 CD1 TYR B 449 7.856 69.350 55.993 1.00 43.28 C +ATOM 4034 CD2 TYR B 449 7.117 67.207 55.221 1.00 44.43 C +ATOM 4035 CE1 TYR B 449 7.948 68.857 57.294 1.00 46.67 C +ATOM 4036 CE2 TYR B 449 7.209 66.702 56.520 1.00 44.35 C +ATOM 4037 CZ TYR B 449 7.626 67.533 57.550 1.00 48.41 C +ATOM 4038 OH TYR B 449 7.740 67.039 58.831 1.00 47.72 O +ATOM 4039 N GLU B 450 8.559 66.796 51.899 1.00 52.40 N +ATOM 4040 CA GLU B 450 8.876 65.380 51.730 1.00 50.03 C +ATOM 4041 C GLU B 450 10.320 65.148 51.315 1.00 48.46 C +ATOM 4042 O GLU B 450 10.973 64.232 51.812 1.00 51.56 O +ATOM 4043 CB GLU B 450 7.931 64.738 50.710 1.00 55.87 C +ATOM 4044 CG GLU B 450 8.166 63.250 50.515 1.00 57.71 C +ATOM 4045 CD GLU B 450 7.112 62.603 49.646 1.00 61.16 C +ATOM 4046 OE1 GLU B 450 6.783 63.175 48.584 1.00 64.81 O +ATOM 4047 OE2 GLU B 450 6.617 61.520 50.021 1.00 63.15 O +ATOM 4048 N LEU B 451 10.823 65.970 50.402 1.00 46.85 N +ATOM 4049 CA LEU B 451 12.207 65.827 49.970 1.00 44.16 C +ATOM 4050 C LEU B 451 13.117 66.004 51.182 1.00 45.64 C +ATOM 4051 O LEU B 451 14.005 65.188 51.428 1.00 45.62 O +ATOM 4052 CB LEU B 451 12.546 66.870 48.905 1.00 43.01 C +ATOM 4053 CG LEU B 451 11.963 66.656 47.508 1.00 43.47 C +ATOM 4054 CD1 LEU B 451 12.209 67.888 46.656 1.00 44.92 C +ATOM 4055 CD2 LEU B 451 12.608 65.432 46.864 1.00 46.65 C +ATOM 4056 N LEU B 452 12.886 67.071 51.944 1.00 46.52 N +ATOM 4057 CA LEU B 452 13.685 67.337 53.136 1.00 47.63 C +ATOM 4058 C LEU B 452 13.528 66.193 54.140 1.00 49.06 C +ATOM 4059 O LEU B 452 14.483 65.811 54.818 1.00 47.18 O +ATOM 4060 CB LEU B 452 13.256 68.659 53.784 1.00 47.13 C +ATOM 4061 CG LEU B 452 13.564 69.953 53.021 1.00 45.08 C +ATOM 4062 CD1 LEU B 452 13.007 71.139 53.788 1.00 43.06 C +ATOM 4063 CD2 LEU B 452 15.065 70.096 52.831 1.00 43.74 C +ATOM 4064 N GLU B 453 12.316 65.651 54.224 1.00 51.09 N +ATOM 4065 CA GLU B 453 12.022 64.552 55.136 1.00 53.61 C +ATOM 4066 C GLU B 453 12.854 63.326 54.775 1.00 52.75 C +ATOM 4067 O GLU B 453 13.283 62.580 55.652 1.00 52.83 O +ATOM 4068 CB GLU B 453 10.530 64.210 55.077 1.00 58.18 C +ATOM 4069 CG GLU B 453 10.101 63.090 56.013 1.00 64.73 C +ATOM 4070 CD GLU B 453 8.587 62.945 56.098 1.00 69.01 C +ATOM 4071 OE1 GLU B 453 7.947 62.691 55.053 1.00 65.85 O +ATOM 4072 OE2 GLU B 453 8.041 63.089 57.215 1.00 69.82 O +ATOM 4073 N LYS B 454 13.082 63.126 53.481 1.00 52.62 N +ATOM 4074 CA LYS B 454 13.875 61.996 53.012 1.00 51.51 C +ATOM 4075 C LYS B 454 15.343 62.393 52.814 1.00 50.97 C +ATOM 4076 O LYS B 454 16.053 61.842 51.968 1.00 50.09 O +ATOM 4077 CB LYS B 454 13.283 61.437 51.714 1.00 51.70 C +ATOM 4078 CG LYS B 454 11.899 60.816 51.898 1.00 51.40 C +ATOM 4079 CD LYS B 454 11.296 60.410 50.567 1.00 48.77 C +ATOM 4080 CE LYS B 454 9.824 60.065 50.706 1.00 49.44 C +ATOM 4081 NZ LYS B 454 9.592 58.918 51.617 1.00 46.72 N +ATOM 4082 N ASP B 455 15.778 63.362 53.612 1.00 49.06 N +ATOM 4083 CA ASP B 455 17.151 63.852 53.607 1.00 45.55 C +ATOM 4084 C ASP B 455 17.678 64.595 52.391 1.00 45.48 C +ATOM 4085 O ASP B 455 18.889 64.640 52.186 1.00 45.98 O +ATOM 4086 CB ASP B 455 18.119 62.715 53.934 1.00 48.09 C +ATOM 4087 CG ASP B 455 17.925 62.173 55.334 1.00 54.91 C +ATOM 4088 OD1 ASP B 455 17.612 62.973 56.243 1.00 59.31 O +ATOM 4089 OD2 ASP B 455 18.097 60.951 55.532 1.00 57.71 O +ATOM 4090 N TYR B 456 16.805 65.175 51.576 1.00 43.02 N +ATOM 4091 CA TYR B 456 17.310 65.931 50.437 1.00 44.87 C +ATOM 4092 C TYR B 456 17.773 67.294 50.950 1.00 42.99 C +ATOM 4093 O TYR B 456 17.097 67.913 51.774 1.00 41.44 O +ATOM 4094 CB TYR B 456 16.229 66.150 49.377 1.00 45.59 C +ATOM 4095 CG TYR B 456 16.747 66.913 48.175 1.00 47.10 C +ATOM 4096 CD1 TYR B 456 17.454 66.262 47.163 1.00 46.32 C +ATOM 4097 CD2 TYR B 456 16.578 68.295 48.074 1.00 46.82 C +ATOM 4098 CE1 TYR B 456 17.980 66.965 46.082 1.00 48.04 C +ATOM 4099 CE2 TYR B 456 17.101 69.008 47.002 1.00 48.78 C +ATOM 4100 CZ TYR B 456 17.802 68.339 46.007 1.00 51.72 C +ATOM 4101 OH TYR B 456 18.334 69.044 44.941 1.00 50.92 O +ATOM 4102 N ARG B 457 18.922 67.756 50.470 1.00 44.74 N +ATOM 4103 CA ARG B 457 19.452 69.059 50.873 1.00 48.44 C +ATOM 4104 C ARG B 457 20.146 69.700 49.677 1.00 49.91 C +ATOM 4105 O ARG B 457 20.821 69.013 48.911 1.00 48.57 O +ATOM 4106 CB ARG B 457 20.459 68.908 52.024 1.00 47.10 C +ATOM 4107 CG ARG B 457 19.874 68.392 53.340 1.00 47.75 C +ATOM 4108 CD ARG B 457 18.959 69.418 53.998 1.00 43.45 C +ATOM 4109 NE ARG B 457 18.473 68.964 55.300 1.00 43.61 N +ATOM 4110 CZ ARG B 457 17.574 68.000 55.482 1.00 44.65 C +ATOM 4111 NH1 ARG B 457 17.042 67.371 54.441 1.00 42.47 N +ATOM 4112 NH2 ARG B 457 17.206 67.664 56.712 1.00 39.59 N +ATOM 4113 N MET B 458 19.984 71.012 49.515 1.00 52.55 N +ATOM 4114 CA MET B 458 20.621 71.709 48.402 1.00 52.62 C +ATOM 4115 C MET B 458 22.101 71.376 48.363 1.00 53.40 C +ATOM 4116 O MET B 458 22.749 71.239 49.403 1.00 51.42 O +ATOM 4117 CB MET B 458 20.447 73.222 48.521 1.00 54.31 C +ATOM 4118 CG MET B 458 19.024 73.706 48.310 1.00 57.78 C +ATOM 4119 SD MET B 458 18.940 75.500 48.150 1.00 56.57 S +ATOM 4120 CE MET B 458 18.845 76.000 49.890 1.00 52.75 C +ATOM 4121 N GLU B 459 22.629 71.249 47.152 1.00 55.65 N +ATOM 4122 CA GLU B 459 24.031 70.916 46.945 1.00 60.44 C +ATOM 4123 C GLU B 459 24.965 72.116 47.117 1.00 59.59 C +ATOM 4124 O GLU B 459 24.542 73.270 47.029 1.00 59.19 O +ATOM 4125 CB GLU B 459 24.199 70.313 45.550 1.00 63.06 C +ATOM 4126 CG GLU B 459 23.673 71.202 44.443 1.00 68.77 C +ATOM 4127 CD GLU B 459 23.502 70.462 43.135 1.00 74.42 C +ATOM 4128 OE1 GLU B 459 24.476 69.824 42.680 1.00 74.07 O +ATOM 4129 OE2 GLU B 459 22.391 70.522 42.562 1.00 77.45 O +ATOM 4130 N ARG B 460 26.239 71.832 47.363 1.00 58.53 N +ATOM 4131 CA ARG B 460 27.236 72.879 47.543 1.00 60.76 C +ATOM 4132 C ARG B 460 27.376 73.732 46.284 1.00 61.64 C +ATOM 4133 O ARG B 460 27.797 73.243 45.234 1.00 60.26 O +ATOM 4134 CB ARG B 460 28.587 72.257 47.900 1.00 61.01 C +ATOM 4135 CG ARG B 460 29.688 73.270 48.165 1.00 66.21 C +ATOM 4136 CD ARG B 460 30.880 72.626 48.864 1.00 67.22 C +ATOM 4137 NE ARG B 460 31.666 71.778 47.975 1.00 70.59 N +ATOM 4138 CZ ARG B 460 32.444 72.239 47.002 1.00 70.04 C +ATOM 4139 NH1 ARG B 460 32.544 73.543 46.791 1.00 71.64 N +ATOM 4140 NH2 ARG B 460 33.123 71.395 46.239 1.00 73.02 N +ATOM 4141 N PRO B 461 27.015 75.023 46.373 1.00 62.36 N +ATOM 4142 CA PRO B 461 27.112 75.930 45.226 1.00 62.62 C +ATOM 4143 C PRO B 461 28.536 75.995 44.683 1.00 64.00 C +ATOM 4144 O PRO B 461 29.503 75.825 45.425 1.00 61.66 O +ATOM 4145 CB PRO B 461 26.658 77.267 45.804 1.00 62.56 C +ATOM 4146 CG PRO B 461 25.681 76.858 46.859 1.00 60.45 C +ATOM 4147 CD PRO B 461 26.394 75.705 47.523 1.00 61.10 C +ATOM 4148 N GLU B 462 28.656 76.240 43.384 1.00 66.71 N +ATOM 4149 CA GLU B 462 29.959 76.329 42.740 1.00 70.91 C +ATOM 4150 C GLU B 462 30.786 77.441 43.382 1.00 68.63 C +ATOM 4151 O GLU B 462 30.293 78.548 43.600 1.00 67.85 O +ATOM 4152 CB GLU B 462 29.781 76.606 41.243 1.00 73.76 C +ATOM 4153 CG GLU B 462 31.054 76.487 40.418 1.00 83.52 C +ATOM 4154 CD GLU B 462 31.594 75.065 40.362 1.00 88.99 C +ATOM 4155 OE1 GLU B 462 30.947 74.149 40.917 1.00 90.90 O +ATOM 4156 OE2 GLU B 462 32.669 74.861 39.757 1.00 91.99 O +ATOM 4157 N GLY B 463 32.039 77.133 43.702 1.00 68.97 N +ATOM 4158 CA GLY B 463 32.917 78.120 44.307 1.00 68.10 C +ATOM 4159 C GLY B 463 32.741 78.341 45.799 1.00 67.27 C +ATOM 4160 O GLY B 463 33.477 79.124 46.401 1.00 67.64 O +ATOM 4161 N CYS B 464 31.771 77.663 46.403 1.00 67.65 N +ATOM 4162 CA CYS B 464 31.529 77.806 47.835 1.00 64.80 C +ATOM 4163 C CYS B 464 32.488 76.925 48.624 1.00 63.63 C +ATOM 4164 O CYS B 464 32.559 75.719 48.400 1.00 65.40 O +ATOM 4165 CB CYS B 464 30.089 77.422 48.174 1.00 64.16 C +ATOM 4166 SG CYS B 464 29.715 77.472 49.941 1.00 62.67 S +ATOM 4167 N PRO B 465 33.243 77.517 49.560 1.00 63.38 N +ATOM 4168 CA PRO B 465 34.192 76.740 50.362 1.00 64.99 C +ATOM 4169 C PRO B 465 33.514 75.687 51.240 1.00 67.30 C +ATOM 4170 O PRO B 465 32.495 75.957 51.877 1.00 67.63 O +ATOM 4171 CB PRO B 465 34.918 77.813 51.172 1.00 63.51 C +ATOM 4172 CG PRO B 465 33.892 78.889 51.305 1.00 64.46 C +ATOM 4173 CD PRO B 465 33.277 78.941 49.935 1.00 61.91 C +ATOM 4174 N GLU B 466 34.094 74.489 51.262 1.00 67.98 N +ATOM 4175 CA GLU B 466 33.565 73.370 52.039 1.00 69.95 C +ATOM 4176 C GLU B 466 33.181 73.771 53.458 1.00 68.32 C +ATOM 4177 O GLU B 466 32.091 73.448 53.933 1.00 67.99 O +ATOM 4178 CB GLU B 466 34.599 72.247 52.115 1.00 74.09 C +ATOM 4179 CG GLU B 466 35.258 71.899 50.795 1.00 80.47 C +ATOM 4180 CD GLU B 466 36.253 70.760 50.933 1.00 86.17 C +ATOM 4181 OE1 GLU B 466 37.011 70.750 51.927 1.00 88.80 O +ATOM 4182 OE2 GLU B 466 36.284 69.882 50.045 1.00 87.25 O +ATOM 4183 N LYS B 467 34.092 74.468 54.128 1.00 66.60 N +ATOM 4184 CA LYS B 467 33.882 74.914 55.500 1.00 64.62 C +ATOM 4185 C LYS B 467 32.552 75.654 55.663 1.00 59.46 C +ATOM 4186 O LYS B 467 31.893 75.547 56.696 1.00 55.68 O +ATOM 4187 CB LYS B 467 35.042 75.819 55.929 1.00 69.56 C +ATOM 4188 CG LYS B 467 36.040 75.172 56.881 1.00 73.43 C +ATOM 4189 CD LYS B 467 37.150 76.141 57.263 1.00 78.43 C +ATOM 4190 CE LYS B 467 37.153 76.421 58.760 1.00 79.51 C +ATOM 4191 NZ LYS B 467 38.031 77.576 59.120 1.00 82.50 N +ATOM 4192 N VAL B 468 32.157 76.401 54.638 1.00 56.21 N +ATOM 4193 CA VAL B 468 30.906 77.149 54.689 1.00 51.50 C +ATOM 4194 C VAL B 468 29.708 76.243 54.406 1.00 50.52 C +ATOM 4195 O VAL B 468 28.657 76.383 55.037 1.00 46.87 O +ATOM 4196 CB VAL B 468 30.917 78.312 53.681 1.00 49.90 C +ATOM 4197 CG1 VAL B 468 29.613 79.086 53.759 1.00 48.66 C +ATOM 4198 CG2 VAL B 468 32.095 79.229 53.972 1.00 49.70 C +ATOM 4199 N TYR B 469 29.871 75.313 53.467 1.00 48.05 N +ATOM 4200 CA TYR B 469 28.797 74.383 53.123 1.00 50.90 C +ATOM 4201 C TYR B 469 28.498 73.492 54.327 1.00 51.34 C +ATOM 4202 O TYR B 469 27.338 73.208 54.630 1.00 48.97 O +ATOM 4203 CB TYR B 469 29.194 73.514 51.926 1.00 51.04 C +ATOM 4204 CG TYR B 469 28.100 72.572 51.469 1.00 51.87 C +ATOM 4205 CD1 TYR B 469 26.877 73.064 51.012 1.00 51.30 C +ATOM 4206 CD2 TYR B 469 28.282 71.190 51.503 1.00 53.00 C +ATOM 4207 CE1 TYR B 469 25.859 72.203 50.600 1.00 51.40 C +ATOM 4208 CE2 TYR B 469 27.269 70.317 51.094 1.00 51.54 C +ATOM 4209 CZ TYR B 469 26.062 70.831 50.644 1.00 51.96 C +ATOM 4210 OH TYR B 469 25.059 69.978 50.243 1.00 50.44 O +ATOM 4211 N GLU B 470 29.554 73.058 55.009 1.00 52.64 N +ATOM 4212 CA GLU B 470 29.419 72.222 56.194 1.00 55.84 C +ATOM 4213 C GLU B 470 28.551 72.940 57.220 1.00 55.96 C +ATOM 4214 O GLU B 470 27.690 72.337 57.855 1.00 57.50 O +ATOM 4215 CB GLU B 470 30.792 71.950 56.806 1.00 60.62 C +ATOM 4216 CG GLU B 470 31.671 71.009 56.005 1.00 68.53 C +ATOM 4217 CD GLU B 470 33.121 71.048 56.458 1.00 74.86 C +ATOM 4218 OE1 GLU B 470 33.360 71.125 57.683 1.00 78.48 O +ATOM 4219 OE2 GLU B 470 34.020 70.992 55.589 1.00 77.84 O +ATOM 4220 N LEU B 471 28.794 74.235 57.379 1.00 55.69 N +ATOM 4221 CA LEU B 471 28.047 75.055 58.324 1.00 53.89 C +ATOM 4222 C LEU B 471 26.609 75.155 57.829 1.00 50.22 C +ATOM 4223 O LEU B 471 25.658 75.213 58.610 1.00 47.81 O +ATOM 4224 CB LEU B 471 28.672 76.449 58.397 1.00 56.51 C +ATOM 4225 CG LEU B 471 28.331 77.336 59.591 1.00 56.96 C +ATOM 4226 CD1 LEU B 471 28.864 76.698 60.867 1.00 60.07 C +ATOM 4227 CD2 LEU B 471 28.949 78.708 59.388 1.00 58.28 C +ATOM 4228 N MET B 472 26.472 75.169 56.511 1.00 49.58 N +ATOM 4229 CA MET B 472 25.177 75.249 55.856 1.00 48.54 C +ATOM 4230 C MET B 472 24.386 73.976 56.171 1.00 48.08 C +ATOM 4231 O MET B 472 23.217 74.034 56.551 1.00 49.20 O +ATOM 4232 CB MET B 472 25.386 75.374 54.343 1.00 52.40 C +ATOM 4233 CG MET B 472 24.412 76.284 53.626 1.00 54.97 C +ATOM 4234 SD MET B 472 24.735 76.325 51.855 1.00 55.91 S +ATOM 4235 CE MET B 472 26.023 77.531 51.761 1.00 52.49 C +ATOM 4236 N ARG B 473 25.038 72.827 56.019 1.00 45.44 N +ATOM 4237 CA ARG B 473 24.397 71.544 56.280 1.00 47.10 C +ATOM 4238 C ARG B 473 24.023 71.404 57.752 1.00 47.76 C +ATOM 4239 O ARG B 473 23.009 70.784 58.088 1.00 45.69 O +ATOM 4240 CB ARG B 473 25.324 70.393 55.871 1.00 48.79 C +ATOM 4241 CG ARG B 473 25.638 70.334 54.381 1.00 49.69 C +ATOM 4242 CD ARG B 473 24.361 70.198 53.562 1.00 58.18 C +ATOM 4243 NE ARG B 473 23.632 68.972 53.880 1.00 61.09 N +ATOM 4244 CZ ARG B 473 24.031 67.750 53.539 1.00 62.66 C +ATOM 4245 NH1 ARG B 473 25.158 67.580 52.858 1.00 61.92 N +ATOM 4246 NH2 ARG B 473 23.309 66.694 53.890 1.00 61.82 N +ATOM 4247 N ALA B 474 24.843 71.983 58.626 1.00 43.97 N +ATOM 4248 CA ALA B 474 24.597 71.917 60.062 1.00 43.91 C +ATOM 4249 C ALA B 474 23.336 72.688 60.422 1.00 42.71 C +ATOM 4250 O ALA B 474 22.599 72.302 61.330 1.00 44.78 O +ATOM 4251 CB ALA B 474 25.790 72.476 60.824 1.00 41.55 C +ATOM 4252 N CYS B 475 23.096 73.782 59.704 1.00 43.40 N +ATOM 4253 CA CYS B 475 21.916 74.613 59.929 1.00 40.35 C +ATOM 4254 C CYS B 475 20.679 73.882 59.440 1.00 42.22 C +ATOM 4255 O CYS B 475 19.559 74.203 59.840 1.00 41.69 O +ATOM 4256 CB CYS B 475 22.037 75.935 59.165 1.00 40.68 C +ATOM 4257 SG CYS B 475 23.302 77.068 59.791 1.00 44.56 S +ATOM 4258 N TRP B 476 20.889 72.895 58.572 1.00 41.78 N +ATOM 4259 CA TRP B 476 19.784 72.145 58.003 1.00 46.21 C +ATOM 4260 C TRP B 476 19.530 70.778 58.621 1.00 47.89 C +ATOM 4261 O TRP B 476 18.956 69.905 57.973 1.00 47.70 O +ATOM 4262 CB TRP B 476 19.976 71.996 56.490 1.00 45.04 C +ATOM 4263 CG TRP B 476 19.950 73.305 55.743 1.00 48.16 C +ATOM 4264 CD1 TRP B 476 19.223 74.420 56.062 1.00 45.92 C +ATOM 4265 CD2 TRP B 476 20.653 73.619 54.535 1.00 48.09 C +ATOM 4266 NE1 TRP B 476 19.432 75.405 55.129 1.00 43.64 N +ATOM 4267 CE2 TRP B 476 20.304 74.941 54.180 1.00 45.18 C +ATOM 4268 CE3 TRP B 476 21.545 72.910 53.717 1.00 51.29 C +ATOM 4269 CZ2 TRP B 476 20.815 75.573 53.041 1.00 47.44 C +ATOM 4270 CZ3 TRP B 476 22.056 73.540 52.582 1.00 52.81 C +ATOM 4271 CH2 TRP B 476 21.687 74.859 52.256 1.00 52.08 C +ATOM 4272 N GLN B 477 19.953 70.586 59.867 1.00 47.92 N +ATOM 4273 CA GLN B 477 19.720 69.314 60.541 1.00 47.97 C +ATOM 4274 C GLN B 477 18.220 69.201 60.774 1.00 48.21 C +ATOM 4275 O GLN B 477 17.566 70.180 61.134 1.00 50.67 O +ATOM 4276 CB GLN B 477 20.466 69.256 61.877 1.00 46.98 C +ATOM 4277 CG GLN B 477 21.973 69.243 61.733 1.00 54.60 C +ATOM 4278 CD GLN B 477 22.465 68.040 60.949 1.00 59.08 C +ATOM 4279 OE1 GLN B 477 22.330 66.902 61.394 1.00 60.66 O +ATOM 4280 NE2 GLN B 477 23.030 68.287 59.771 1.00 62.09 N +ATOM 4281 N TRP B 478 17.673 68.008 60.566 1.00 48.07 N +ATOM 4282 CA TRP B 478 16.241 67.795 60.734 1.00 46.26 C +ATOM 4283 C TRP B 478 15.714 68.171 62.119 1.00 44.14 C +ATOM 4284 O TRP B 478 14.676 68.826 62.239 1.00 43.06 O +ATOM 4285 CB TRP B 478 15.884 66.337 60.417 1.00 48.42 C +ATOM 4286 CG TRP B 478 14.408 66.104 60.401 1.00 48.46 C +ATOM 4287 CD1 TRP B 478 13.647 65.593 61.410 1.00 49.20 C +ATOM 4288 CD2 TRP B 478 13.500 66.462 59.354 1.00 48.55 C +ATOM 4289 NE1 TRP B 478 12.318 65.614 61.059 1.00 52.53 N +ATOM 4290 CE2 TRP B 478 12.200 66.143 59.801 1.00 50.11 C +ATOM 4291 CE3 TRP B 478 13.659 67.026 58.081 1.00 51.03 C +ATOM 4292 CZ2 TRP B 478 11.061 66.369 59.021 1.00 50.82 C +ATOM 4293 CZ3 TRP B 478 12.523 67.253 57.302 1.00 50.16 C +ATOM 4294 CH2 TRP B 478 11.243 66.923 57.777 1.00 51.21 C +ATOM 4295 N ASN B 479 16.423 67.755 63.161 1.00 45.09 N +ATOM 4296 CA ASN B 479 16.015 68.061 64.528 1.00 45.92 C +ATOM 4297 C ASN B 479 16.596 69.406 64.956 1.00 45.78 C +ATOM 4298 O ASN B 479 17.815 69.583 64.998 1.00 47.81 O +ATOM 4299 CB ASN B 479 16.483 66.956 65.481 1.00 50.53 C +ATOM 4300 CG ASN B 479 16.066 67.210 66.924 1.00 56.71 C +ATOM 4301 OD1 ASN B 479 15.327 68.153 67.215 1.00 58.73 O +ATOM 4302 ND2 ASN B 479 16.538 66.363 67.835 1.00 55.57 N +ATOM 4303 N PRO B 480 15.725 70.371 65.290 1.00 45.28 N +ATOM 4304 CA PRO B 480 16.148 71.709 65.714 1.00 45.56 C +ATOM 4305 C PRO B 480 17.229 71.763 66.790 1.00 44.86 C +ATOM 4306 O PRO B 480 18.109 72.621 66.739 1.00 47.06 O +ATOM 4307 CB PRO B 480 14.839 72.371 66.150 1.00 47.78 C +ATOM 4308 CG PRO B 480 13.946 71.216 66.489 1.00 50.73 C +ATOM 4309 CD PRO B 480 14.264 70.221 65.414 1.00 45.37 C +ATOM 4310 N SER B 481 17.181 70.846 67.750 1.00 46.11 N +ATOM 4311 CA SER B 481 18.178 70.836 68.814 1.00 47.31 C +ATOM 4312 C SER B 481 19.544 70.411 68.284 1.00 48.02 C +ATOM 4313 O SER B 481 20.569 70.700 68.898 1.00 48.97 O +ATOM 4314 CB SER B 481 17.745 69.901 69.955 1.00 51.11 C +ATOM 4315 OG SER B 481 17.778 68.539 69.562 1.00 50.21 O +ATOM 4316 N ASP B 482 19.553 69.728 67.141 1.00 49.16 N +ATOM 4317 CA ASP B 482 20.795 69.269 66.520 1.00 50.75 C +ATOM 4318 C ASP B 482 21.500 70.423 65.814 1.00 51.02 C +ATOM 4319 O ASP B 482 22.668 70.318 65.447 1.00 52.47 O +ATOM 4320 CB ASP B 482 20.509 68.168 65.494 1.00 58.07 C +ATOM 4321 CG ASP B 482 20.055 66.872 66.133 1.00 64.28 C +ATOM 4322 OD1 ASP B 482 19.175 66.917 67.018 1.00 68.08 O +ATOM 4323 OD2 ASP B 482 20.573 65.804 65.740 1.00 66.07 O +ATOM 4324 N ARG B 483 20.784 71.523 65.622 1.00 48.51 N +ATOM 4325 CA ARG B 483 21.357 72.680 64.954 1.00 49.07 C +ATOM 4326 C ARG B 483 22.162 73.514 65.941 1.00 50.00 C +ATOM 4327 O ARG B 483 21.809 73.618 67.117 1.00 48.70 O +ATOM 4328 CB ARG B 483 20.247 73.534 64.334 1.00 46.81 C +ATOM 4329 CG ARG B 483 19.358 72.773 63.360 1.00 44.59 C +ATOM 4330 CD ARG B 483 18.123 73.574 62.993 1.00 44.85 C +ATOM 4331 NE ARG B 483 17.101 72.722 62.395 1.00 38.52 N +ATOM 4332 CZ ARG B 483 15.802 73.001 62.394 1.00 42.59 C +ATOM 4333 NH1 ARG B 483 15.356 74.117 62.957 1.00 34.53 N +ATOM 4334 NH2 ARG B 483 14.941 72.148 61.851 1.00 48.78 N +ATOM 4335 N PRO B 484 23.265 74.115 65.471 1.00 50.79 N +ATOM 4336 CA PRO B 484 24.118 74.946 66.325 1.00 48.53 C +ATOM 4337 C PRO B 484 23.469 76.300 66.568 1.00 47.93 C +ATOM 4338 O PRO B 484 22.572 76.703 65.825 1.00 46.83 O +ATOM 4339 CB PRO B 484 25.395 75.069 65.509 1.00 48.66 C +ATOM 4340 CG PRO B 484 24.861 75.115 64.099 1.00 52.42 C +ATOM 4341 CD PRO B 484 23.827 74.007 64.112 1.00 47.94 C +ATOM 4342 N SER B 485 23.923 76.993 67.610 1.00 46.41 N +ATOM 4343 CA SER B 485 23.405 78.313 67.944 1.00 43.67 C +ATOM 4344 C SER B 485 24.118 79.347 67.091 1.00 43.92 C +ATOM 4345 O SER B 485 25.133 79.047 66.449 1.00 44.03 O +ATOM 4346 CB SER B 485 23.662 78.629 69.416 1.00 48.41 C +ATOM 4347 OG SER B 485 25.054 78.615 69.690 1.00 49.69 O +ATOM 4348 N PHE B 486 23.589 80.565 67.090 1.00 41.64 N +ATOM 4349 CA PHE B 486 24.186 81.646 66.327 1.00 42.65 C +ATOM 4350 C PHE B 486 25.507 82.076 66.951 1.00 48.66 C +ATOM 4351 O PHE B 486 26.369 82.640 66.274 1.00 48.28 O +ATOM 4352 CB PHE B 486 23.220 82.825 66.241 1.00 43.12 C +ATOM 4353 CG PHE B 486 22.192 82.675 65.154 1.00 41.40 C +ATOM 4354 CD1 PHE B 486 22.579 82.641 63.818 1.00 40.43 C +ATOM 4355 CD2 PHE B 486 20.848 82.563 65.459 1.00 37.96 C +ATOM 4356 CE1 PHE B 486 21.638 82.498 62.801 1.00 42.33 C +ATOM 4357 CE2 PHE B 486 19.894 82.418 64.450 1.00 43.67 C +ATOM 4358 CZ PHE B 486 20.288 82.387 63.119 1.00 44.38 C +ATOM 4359 N ALA B 487 25.672 81.806 68.244 1.00 50.12 N +ATOM 4360 CA ALA B 487 26.918 82.155 68.912 1.00 50.58 C +ATOM 4361 C ALA B 487 28.005 81.246 68.345 1.00 49.15 C +ATOM 4362 O ALA B 487 29.108 81.696 68.052 1.00 49.92 O +ATOM 4363 CB ALA B 487 26.790 81.956 70.414 1.00 51.47 C +ATOM 4364 N GLU B 488 27.679 79.966 68.183 1.00 49.57 N +ATOM 4365 CA GLU B 488 28.625 78.997 67.636 1.00 52.59 C +ATOM 4366 C GLU B 488 28.897 79.274 66.160 1.00 53.67 C +ATOM 4367 O GLU B 488 30.012 79.074 65.670 1.00 55.59 O +ATOM 4368 CB GLU B 488 28.078 77.575 67.793 1.00 55.50 C +ATOM 4369 CG GLU B 488 28.010 77.090 69.231 1.00 61.36 C +ATOM 4370 CD GLU B 488 27.361 75.721 69.354 1.00 65.99 C +ATOM 4371 OE1 GLU B 488 26.164 75.597 69.018 1.00 63.63 O +ATOM 4372 OE2 GLU B 488 28.048 74.769 69.786 1.00 71.01 O +ATOM 4373 N ILE B 489 27.868 79.733 65.455 1.00 50.98 N +ATOM 4374 CA ILE B 489 27.988 80.039 64.037 1.00 49.02 C +ATOM 4375 C ILE B 489 28.901 81.245 63.822 1.00 48.92 C +ATOM 4376 O ILE B 489 29.761 81.234 62.941 1.00 45.77 O +ATOM 4377 CB ILE B 489 26.596 80.329 63.416 1.00 45.04 C +ATOM 4378 CG1 ILE B 489 25.764 79.040 63.387 1.00 44.78 C +ATOM 4379 CG2 ILE B 489 26.757 80.912 62.021 1.00 46.26 C +ATOM 4380 CD1 ILE B 489 24.347 79.211 62.872 1.00 40.67 C +ATOM 4381 N HIS B 490 28.704 82.284 64.629 1.00 51.34 N +ATOM 4382 CA HIS B 490 29.509 83.497 64.526 1.00 52.32 C +ATOM 4383 C HIS B 490 30.969 83.171 64.808 1.00 53.57 C +ATOM 4384 O HIS B 490 31.872 83.654 64.122 1.00 45.70 O +ATOM 4385 CB HIS B 490 29.020 84.551 65.521 1.00 55.30 C +ATOM 4386 CG HIS B 490 29.803 85.825 65.475 1.00 59.98 C +ATOM 4387 ND1 HIS B 490 29.823 86.647 64.368 1.00 60.67 N +ATOM 4388 CD2 HIS B 490 30.614 86.408 66.390 1.00 61.28 C +ATOM 4389 CE1 HIS B 490 30.612 87.680 64.602 1.00 60.41 C +ATOM 4390 NE2 HIS B 490 31.105 87.559 65.822 1.00 62.50 N +ATOM 4391 N GLN B 491 31.185 82.348 65.828 1.00 56.40 N +ATOM 4392 CA GLN B 491 32.522 81.932 66.215 1.00 59.70 C +ATOM 4393 C GLN B 491 33.201 81.256 65.031 1.00 61.42 C +ATOM 4394 O GLN B 491 34.383 81.474 64.775 1.00 59.41 O +ATOM 4395 CB GLN B 491 32.446 80.957 67.392 1.00 63.30 C +ATOM 4396 CG GLN B 491 33.799 80.495 67.899 1.00 69.42 C +ATOM 4397 CD GLN B 491 34.640 81.643 68.417 1.00 73.97 C +ATOM 4398 OE1 GLN B 491 34.259 82.325 69.370 1.00 76.23 O +ATOM 4399 NE2 GLN B 491 35.790 81.868 67.788 1.00 74.92 N +ATOM 4400 N ALA B 492 32.439 80.441 64.306 1.00 62.82 N +ATOM 4401 CA ALA B 492 32.962 79.725 63.147 1.00 62.98 C +ATOM 4402 C ALA B 492 33.365 80.680 62.030 1.00 63.71 C +ATOM 4403 O ALA B 492 34.462 80.575 61.484 1.00 64.68 O +ATOM 4404 CB ALA B 492 31.927 78.733 62.635 1.00 64.24 C +ATOM 4405 N PHE B 493 32.473 81.603 61.685 1.00 63.23 N +ATOM 4406 CA PHE B 493 32.762 82.572 60.636 1.00 66.54 C +ATOM 4407 C PHE B 493 33.888 83.513 61.035 1.00 68.04 C +ATOM 4408 O PHE B 493 34.659 83.960 60.186 1.00 68.34 O +ATOM 4409 CB PHE B 493 31.516 83.391 60.293 1.00 65.27 C +ATOM 4410 CG PHE B 493 30.646 82.756 59.254 1.00 68.07 C +ATOM 4411 CD1 PHE B 493 31.166 82.426 58.005 1.00 66.76 C +ATOM 4412 CD2 PHE B 493 29.306 82.490 59.515 1.00 66.62 C +ATOM 4413 CE1 PHE B 493 30.367 81.841 57.031 1.00 66.62 C +ATOM 4414 CE2 PHE B 493 28.498 81.905 58.545 1.00 68.15 C +ATOM 4415 CZ PHE B 493 29.032 81.580 57.300 1.00 65.95 C +ATOM 4416 N GLU B 494 33.978 83.817 62.326 1.00 69.70 N +ATOM 4417 CA GLU B 494 35.020 84.705 62.815 1.00 72.98 C +ATOM 4418 C GLU B 494 36.358 83.980 62.758 1.00 74.90 C +ATOM 4419 O GLU B 494 37.407 84.611 62.661 1.00 75.94 O +ATOM 4420 CB GLU B 494 34.721 85.146 64.247 1.00 74.74 C +ATOM 4421 CG GLU B 494 35.660 86.227 64.764 1.00 82.17 C +ATOM 4422 CD GLU B 494 35.327 86.660 66.179 1.00 87.43 C +ATOM 4423 OE1 GLU B 494 34.384 86.089 66.769 1.00 90.63 O +ATOM 4424 OE2 GLU B 494 36.009 87.570 66.702 1.00 88.07 O +ATOM 4425 N THR B 495 36.317 82.653 62.817 1.00 77.31 N +ATOM 4426 CA THR B 495 37.536 81.853 62.746 1.00 80.18 C +ATOM 4427 C THR B 495 38.042 81.872 61.310 1.00 80.90 C +ATOM 4428 O THR B 495 39.239 82.018 61.066 1.00 81.34 O +ATOM 4429 CB THR B 495 37.285 80.396 63.173 1.00 80.26 C +ATOM 4430 OG1 THR B 495 36.961 80.356 64.568 1.00 80.67 O +ATOM 4431 CG2 THR B 495 38.523 79.548 62.921 1.00 80.29 C +ATOM 4432 N MET B 496 37.121 81.723 60.362 1.00 82.31 N +ATOM 4433 CA MET B 496 37.468 81.759 58.946 1.00 84.62 C +ATOM 4434 C MET B 496 37.860 83.196 58.616 1.00 87.04 C +ATOM 4435 O MET B 496 37.836 83.618 57.460 1.00 86.75 O +ATOM 4436 CB MET B 496 36.269 81.338 58.096 1.00 81.82 C +ATOM 4437 CG MET B 496 35.860 79.888 58.278 1.00 80.74 C +ATOM 4438 SD MET B 496 34.320 79.500 57.429 1.00 75.91 S +ATOM 4439 CE MET B 496 33.187 79.402 58.804 1.00 78.90 C +ATOM 4440 N PHE B 497 38.211 83.936 59.663 1.00 90.42 N +ATOM 4441 CA PHE B 497 38.620 85.332 59.572 1.00 93.05 C +ATOM 4442 C PHE B 497 39.740 85.555 60.585 1.00 94.67 C +ATOM 4443 O PHE B 497 40.909 85.261 60.324 1.00 92.26 O +ATOM 4444 CB PHE B 497 37.450 86.253 59.933 1.00 93.91 C +ATOM 4445 CG PHE B 497 36.866 86.994 58.768 1.00 93.96 C +ATOM 4446 CD1 PHE B 497 35.755 86.498 58.095 1.00 94.24 C +ATOM 4447 CD2 PHE B 497 37.420 88.200 58.351 1.00 93.85 C +ATOM 4448 CE1 PHE B 497 35.202 87.197 57.023 1.00 94.81 C +ATOM 4449 CE2 PHE B 497 36.877 88.904 57.282 1.00 94.40 C +ATOM 4450 CZ PHE B 497 35.764 88.402 56.616 1.00 95.25 C +ATOM 4451 N GLN B 498 39.346 86.074 61.747 1.00 97.48 N +ATOM 4452 CA GLN B 498 40.241 86.370 62.861 1.00 99.26 C +ATOM 4453 C GLN B 498 41.016 87.663 62.621 1.00 99.49 C +ATOM 4454 O GLN B 498 42.257 87.648 62.759 1.00100.35 O +ATOM 4455 CB GLN B 498 41.211 85.205 63.093 1.00100.80 C +ATOM 4456 CG GLN B 498 41.391 84.831 64.556 1.00102.53 C +ATOM 4457 CD GLN B 498 40.090 84.391 65.210 1.00103.58 C +ATOM 4458 OE1 GLN B 498 39.140 85.169 65.318 1.00103.62 O +ATOM 4459 NE2 GLN B 498 40.041 83.136 65.647 1.00102.89 N +TER 4460 GLN B 498 +HETATM 4461 CL CL A 1 14.207 35.375 1.662 1.00 50.30 CL +HETATM 4462 CL CL A 2 18.095 42.377 23.842 1.00 64.60 CL +HETATM 4463 CL CL A 4 3.753 59.155 9.290 1.00 86.31 CL +HETATM 4464 CL CL A 5 12.290 64.724 15.103 1.00 49.39 CL +HETATM 4465 C1 STI A 201 11.879 62.272 12.570 1.00 35.17 C +HETATM 4466 C6 STI A 201 13.002 61.429 12.910 1.00 32.96 C +HETATM 4467 C5 STI A 201 13.097 60.070 12.392 1.00 33.74 C +HETATM 4468 C4 STI A 201 12.031 59.591 11.525 1.00 31.40 C +HETATM 4469 N3 STI A 201 10.961 60.425 11.216 1.00 33.76 N +HETATM 4470 C2 STI A 201 10.858 61.734 11.710 1.00 35.46 C +HETATM 4471 C7 STI A 201 14.238 59.155 12.712 1.00 33.05 C +HETATM 4472 C12 STI A 201 15.433 59.579 13.383 1.00 30.85 C +HETATM 4473 C11 STI A 201 16.428 58.603 13.615 1.00 35.42 C +HETATM 4474 N10 STI A 201 16.232 57.303 13.202 1.00 32.08 N +HETATM 4475 C9 STI A 201 15.067 56.927 12.559 1.00 33.83 C +HETATM 4476 N8 STI A 201 14.101 57.840 12.327 1.00 33.44 N +HETATM 4477 N13 STI A 201 14.852 55.627 12.128 1.00 32.90 N +HETATM 4478 C14 STI A 201 15.822 54.641 12.322 1.00 32.92 C +HETATM 4479 C19 STI A 201 16.950 54.502 11.393 1.00 28.09 C +HETATM 4480 C18 STI A 201 17.915 53.471 11.648 1.00 26.77 C +HETATM 4481 C17 STI A 201 17.774 52.597 12.786 1.00 25.91 C +HETATM 4482 C16 STI A 201 16.678 52.727 13.688 1.00 30.34 C +HETATM 4483 C15 STI A 201 15.698 53.772 13.436 1.00 29.33 C +HETATM 4484 N21 STI A 201 16.600 51.810 14.798 1.00 31.22 N +HETATM 4485 C22 STI A 201 15.629 51.747 15.784 1.00 33.27 C +HETATM 4486 C23 STI A 201 15.595 50.558 16.689 1.00 31.14 C +HETATM 4487 C25 STI A 201 14.423 50.268 17.519 1.00 34.22 C +HETATM 4488 C26 STI A 201 14.423 49.124 18.396 1.00 31.64 C +HETATM 4489 C27 STI A 201 15.600 48.260 18.446 1.00 38.05 C +HETATM 4490 C28 STI A 201 16.747 48.568 17.608 1.00 29.43 C +HETATM 4491 C29 STI A 201 16.751 49.689 16.748 1.00 34.20 C +HETATM 4492 C46 STI A 201 15.696 47.030 19.368 1.00 35.44 C +HETATM 4493 N48 STI A 201 16.917 46.907 20.219 1.00 46.28 N +HETATM 4494 C53 STI A 201 17.097 48.140 21.070 1.00 45.06 C +HETATM 4495 C52 STI A 201 18.375 48.041 21.949 1.00 46.67 C +HETATM 4496 N51 STI A 201 18.337 46.794 22.821 1.00 48.74 N +HETATM 4497 C54 STI A 201 19.522 46.655 23.680 1.00 49.83 C +HETATM 4498 C50 STI A 201 18.172 45.533 21.971 1.00 45.31 C +HETATM 4499 C49 STI A 201 16.877 45.658 21.104 1.00 44.33 C +HETATM 4500 O29 STI A 201 14.789 52.612 15.983 1.00 38.89 O +HETATM 4501 C20 STI A 201 17.148 55.406 10.154 1.00 26.25 C +HETATM 4502 CL CL B 3 10.209 87.546 69.257 1.00 64.95 CL +HETATM 4503 CL CL B 6 16.086 97.995 48.278 1.00 73.93 CL +HETATM 4504 C1 STI B 202 16.356 100.406 50.614 1.00 54.02 C +HETATM 4505 C6 STI B 202 15.218 100.012 51.414 1.00 52.26 C +HETATM 4506 C5 STI B 202 15.089 100.453 52.798 1.00 49.43 C +HETATM 4507 C4 STI B 202 16.138 101.298 53.339 1.00 47.99 C +HETATM 4508 N3 STI B 202 17.220 101.660 52.543 1.00 51.14 N +HETATM 4509 C2 STI B 202 17.356 101.243 51.215 1.00 52.94 C +HETATM 4510 C7 STI B 202 13.928 100.078 53.673 1.00 48.61 C +HETATM 4511 C12 STI B 202 12.723 99.470 53.173 1.00 45.68 C +HETATM 4512 C11 STI B 202 11.704 99.172 54.114 1.00 47.75 C +HETATM 4513 N10 STI B 202 11.881 99.464 55.456 1.00 45.18 N +HETATM 4514 C9 STI B 202 13.053 100.050 55.907 1.00 48.27 C +HETATM 4515 N8 STI B 202 14.046 100.345 55.023 1.00 42.11 N +HETATM 4516 N13 STI B 202 13.263 100.362 57.253 1.00 45.65 N +HETATM 4517 C14 STI B 202 12.302 100.109 58.246 1.00 42.05 C +HETATM 4518 C19 STI B 202 11.195 101.040 58.488 1.00 40.08 C +HETATM 4519 C18 STI B 202 10.251 100.722 59.524 1.00 41.64 C +HETATM 4520 C17 STI B 202 10.386 99.520 60.309 1.00 38.14 C +HETATM 4521 C16 STI B 202 11.456 98.610 60.086 1.00 38.18 C +HETATM 4522 C15 STI B 202 12.424 98.921 59.032 1.00 40.05 C +HETATM 4523 N21 STI B 202 11.516 97.436 60.923 1.00 36.88 N +HETATM 4524 C22 STI B 202 12.446 96.415 60.910 1.00 34.79 C +HETATM 4525 C23 STI B 202 12.472 95.442 62.042 1.00 39.43 C +HETATM 4526 C25 STI B 202 13.689 94.696 62.364 1.00 41.52 C +HETATM 4527 C26 STI B 202 13.682 93.749 63.449 1.00 42.92 C +HETATM 4528 C27 STI B 202 12.463 93.546 64.214 1.00 41.50 C +HETATM 4529 C28 STI B 202 11.274 94.301 63.879 1.00 41.95 C +HETATM 4530 C29 STI B 202 11.272 95.230 62.817 1.00 42.07 C +HETATM 4531 C46 STI B 202 12.371 92.542 65.368 1.00 42.63 C +HETATM 4532 N48 STI B 202 11.230 91.579 65.364 1.00 46.81 N +HETATM 4533 C53 STI B 202 11.214 90.778 64.093 1.00 41.12 C +HETATM 4534 C52 STI B 202 10.031 89.776 64.067 1.00 42.59 C +HETATM 4535 N51 STI B 202 10.081 88.858 65.278 1.00 45.71 N +HETATM 4536 C54 STI B 202 8.985 87.875 65.306 1.00 47.72 C +HETATM 4537 C50 STI B 202 10.070 89.659 66.572 1.00 46.99 C +HETATM 4538 C49 STI B 202 11.273 90.652 66.574 1.00 44.56 C +HETATM 4539 O29 STI B 202 13.258 96.231 60.024 1.00 40.42 O +HETATM 4540 C20 STI B 202 10.986 102.351 57.694 1.00 40.72 C +HETATM 4541 O HOH A 7 16.209 44.973 36.093 1.00 45.16 O +HETATM 4542 O HOH A 8 13.642 39.493 8.579 1.00 48.49 O +HETATM 4543 O HOH A 9 10.491 69.478 34.185 1.00 45.11 O +HETATM 4544 O HOH A 10 11.145 64.895 29.334 1.00 37.52 O +HETATM 4545 O HOH A 12 5.403 73.226 26.076 1.00 46.61 O +HETATM 4546 O HOH A 13 12.534 61.665 26.746 1.00 38.42 O +HETATM 4547 O HOH A 14 19.402 53.852 15.819 1.00 36.90 O +HETATM 4548 O HOH A 15 7.940 47.193 12.882 1.00 35.20 O +HETATM 4549 O HOH A 16 18.083 41.985 -1.483 1.00 44.94 O +HETATM 4550 O HOH A 18 -1.047 69.021 17.963 1.00 36.16 O +HETATM 4551 O HOH A 19 15.013 63.513 27.481 1.00 36.71 O +HETATM 4552 O HOH A 20 7.226 60.031 47.313 1.00 43.88 O +HETATM 4553 O HOH A 22 6.959 66.074 8.462 1.00 51.30 O +HETATM 4554 O HOH A 23 4.108 40.456 26.663 1.00 50.81 O +HETATM 4555 O HOH A 24 10.395 70.723 31.866 1.00 41.95 O +HETATM 4556 O HOH A 30 14.636 51.401 28.990 1.00 46.35 O +HETATM 4557 O HOH A 33 11.594 52.361 47.282 1.00 42.67 O +HETATM 4558 O HOH A 34 21.809 55.119 27.572 1.00 59.40 O +HETATM 4559 O HOH A 35 -0.785 63.086 14.873 1.00 40.67 O +HETATM 4560 O HOH A 37 21.183 59.301 42.207 1.00 44.53 O +HETATM 4561 O HOH A 39 21.415 61.351 33.589 1.00 47.70 O +HETATM 4562 O HOH A 41 16.230 56.818 38.243 1.00 39.70 O +HETATM 4563 O HOH A 42 6.020 46.959 10.766 1.00 47.71 O +HETATM 4564 O HOH A 43 6.864 65.328 41.429 1.00 49.66 O +HETATM 4565 O HOH A 45 16.323 48.699 30.660 1.00 39.36 O +HETATM 4566 O HOH A 47 18.689 56.297 22.046 1.00 61.39 O +HETATM 4567 O HOH A 48 1.922 43.577 21.411 1.00 51.52 O +HETATM 4568 O HOH A 49 -1.460 52.387 16.468 1.00 41.24 O +HETATM 4569 O HOH A 50 21.476 59.099 45.154 1.00 58.02 O +HETATM 4570 O HOH A 51 13.587 65.302 28.928 1.00 42.75 O +HETATM 4571 O HOH A 53 13.550 57.158 37.582 1.00 35.48 O +HETATM 4572 O HOH A 54 9.386 58.385 40.439 1.00 46.46 O +HETATM 4573 O HOH A 56 18.316 61.826 33.381 1.00 47.56 O +HETATM 4574 O HOH A 58 2.320 71.389 25.188 1.00 42.59 O +HETATM 4575 O HOH A 60 16.500 36.572 3.259 1.00 45.20 O +HETATM 4576 O HOH A 61 10.444 68.230 42.004 1.00 48.92 O +HETATM 4577 O HOH A 62 2.303 52.409 10.054 1.00 43.35 O +HETATM 4578 O HOH A 63 22.368 56.937 -1.555 1.00 68.64 O +HETATM 4579 O HOH A 65 14.652 40.479 30.791 1.00 46.97 O +HETATM 4580 O HOH A 66 -3.133 63.681 11.797 1.00 50.24 O +HETATM 4581 O HOH A 67 9.708 65.356 41.632 1.00 54.04 O +HETATM 4582 O HOH A 69 -4.037 56.196 14.811 1.00 49.91 O +HETATM 4583 O HOH A 72 -1.178 48.382 17.799 1.00 60.27 O +HETATM 4584 O HOH A 73 1.671 51.071 12.084 1.00 46.22 O +HETATM 4585 O HOH A 75 18.433 56.108 14.294 1.00 36.90 O +HETATM 4586 O HOH A 76 14.778 62.721 20.176 1.00 42.96 O +HETATM 4587 O HOH A 77 22.437 43.881 7.276 1.00 53.63 O +HETATM 4588 O HOH A 78 12.417 46.825 12.788 1.00 41.04 O +HETATM 4589 O HOH A 83 16.535 51.402 31.009 1.00 54.39 O +HETATM 4590 O HOH A 84 16.711 64.494 20.198 1.00 55.91 O +HETATM 4591 O HOH A 88 20.694 64.337 12.484 1.00 53.07 O +HETATM 4592 O HOH A 90 16.499 39.527 35.431 1.00 49.78 O +HETATM 4593 O HOH A 91 28.431 57.743 5.387 1.00 56.05 O +HETATM 4594 O HOH A 92 8.591 46.471 45.293 1.00 56.71 O +HETATM 4595 O HOH A 93 21.614 55.171 24.382 1.00 57.34 O +HETATM 4596 O HOH A 94 8.222 56.482 5.241 1.00 46.99 O +HETATM 4597 O HOH A 97 -4.949 71.817 28.119 1.00 68.24 O +HETATM 4598 O HOH A 99 3.607 54.824 9.684 1.00 68.60 O +HETATM 4599 O HOH A 101 0.040 56.521 9.276 1.00 63.71 O +HETATM 4600 O HOH A 102 20.159 53.143 29.476 1.00 53.30 O +HETATM 4601 O HOH A 104 8.208 66.091 17.154 1.00 44.59 O +HETATM 4602 O HOH A 106 6.576 59.747 1.584 1.00 56.53 O +HETATM 4603 O HOH A 107 0.981 62.571 44.291 1.00 58.70 O +HETATM 4604 O HOH A 108 15.748 37.784 8.619 1.00 64.64 O +HETATM 4605 O HOH A 109 22.290 64.563 27.818 1.00 48.62 O +HETATM 4606 O HOH A 110 27.710 64.047 29.162 1.00 64.21 O +HETATM 4607 O HOH A 112 -1.861 56.721 11.106 1.00 59.68 O +HETATM 4608 O HOH A 114 5.284 49.659 12.055 1.00 51.77 O +HETATM 4609 O HOH A 115 14.085 65.200 21.747 1.00 50.10 O +HETATM 4610 O HOH A 117 14.810 68.306 20.358 1.00 55.65 O +HETATM 4611 O HOH A 118 23.859 56.925 17.743 1.00 48.82 O +HETATM 4612 O HOH A 119 25.236 53.204 26.090 1.00 65.85 O +HETATM 4613 O HOH A 120 5.152 71.226 28.004 1.00 42.37 O +HETATM 4614 O HOH A 125 -3.032 71.270 29.804 1.00 56.32 O +HETATM 4615 O HOH A 126 18.530 64.543 33.844 1.00 53.28 O +HETATM 4616 O HOH A 127 23.763 43.119 9.581 1.00 44.42 O +HETATM 4617 O HOH A 128 1.774 38.638 32.478 1.00 49.41 O +HETATM 4618 O HOH A 129 18.991 51.017 23.819 1.00 49.63 O +HETATM 4619 O HOH A 131 2.843 42.869 12.408 1.00 68.74 O +HETATM 4620 O HOH A 135 10.310 47.024 11.373 1.00 53.60 O +HETATM 4621 O HOH A 137 19.578 33.382 -10.048 1.00 49.20 O +HETATM 4622 O HOH A 142 10.757 39.019 28.467 1.00 58.69 O +HETATM 4623 O HOH A 143 10.127 66.615 5.784 1.00 53.38 O +HETATM 4624 O HOH A 144 11.631 44.153 10.295 1.00 53.09 O +HETATM 4625 O HOH A 147 15.641 55.564 29.056 1.00 39.54 O +HETATM 4626 O HOH A 154 21.287 51.247 25.041 1.00 55.18 O +HETATM 4627 O HOH A 155 13.452 50.657 49.349 1.00 59.71 O +HETATM 4628 O HOH A 157 19.808 44.152 -4.596 1.00 59.10 O +HETATM 4629 O HOH A 158 3.481 45.494 11.666 1.00 44.96 O +HETATM 4630 O HOH A 159 14.108 67.537 27.752 1.00 58.45 O +HETATM 4631 O HOH A 160 15.458 68.310 25.691 1.00 61.95 O +HETATM 4632 O HOH A 161 22.830 46.339 -0.252 1.00 45.32 O +HETATM 4633 O HOH A 162 24.355 47.545 17.963 1.00 66.39 O +HETATM 4634 O HOH A 163 15.402 51.758 33.317 1.00 69.46 O +HETATM 4635 O HOH A 167 12.197 48.371 14.804 1.00 52.86 O +HETATM 4636 O HOH A 169 8.525 67.997 8.081 1.00 72.81 O +HETATM 4637 O HOH A 170 -2.218 74.214 23.146 1.00 31.91 O +HETATM 4638 O HOH A 173 7.270 69.430 6.470 1.00 82.12 O +HETATM 4639 O HOH A 174 6.490 71.630 8.060 1.00 81.99 O +HETATM 4640 O HOH B 11 18.658 72.371 51.678 1.00 36.37 O +HETATM 4641 O HOH B 17 12.502 83.602 55.783 1.00 36.11 O +HETATM 4642 O HOH B 21 22.841 87.721 38.698 1.00 45.80 O +HETATM 4643 O HOH B 25 13.741 83.196 59.950 1.00 38.64 O +HETATM 4644 O HOH B 26 23.584 84.415 71.451 1.00 40.64 O +HETATM 4645 O HOH B 27 23.166 85.622 40.378 1.00 52.38 O +HETATM 4646 O HOH B 28 25.704 88.443 40.616 1.00 56.11 O +HETATM 4647 O HOH B 29 28.986 98.333 49.763 1.00 56.66 O +HETATM 4648 O HOH B 31 8.806 96.442 58.752 1.00 38.76 O +HETATM 4649 O HOH B 32 15.765 65.162 57.133 1.00 40.47 O +HETATM 4650 O HOH B 36 17.445 83.881 46.665 1.00 42.99 O +HETATM 4651 O HOH B 38 7.120 88.027 56.738 1.00 49.27 O +HETATM 4652 O HOH B 40 26.246 90.547 38.761 1.00 50.27 O +HETATM 4653 O HOH B 44 27.667 69.362 58.949 1.00 54.05 O +HETATM 4654 O HOH B 46 26.055 84.895 72.313 1.00 67.68 O +HETATM 4655 O HOH B 52 13.438 85.909 48.046 1.00 49.82 O +HETATM 4656 O HOH B 55 11.708 81.438 59.384 1.00 64.42 O +HETATM 4657 O HOH B 57 12.135 74.469 53.662 1.00 38.31 O +HETATM 4658 O HOH B 59 29.747 95.523 60.428 1.00 54.09 O +HETATM 4659 O HOH B 64 21.632 68.991 56.288 1.00 41.02 O +HETATM 4660 O HOH B 68 29.225 96.222 43.252 1.00 54.30 O +HETATM 4661 O HOH B 70 20.497 98.698 65.564 1.00 34.78 O +HETATM 4662 O HOH B 71 5.839 103.930 69.406 1.00 48.43 O +HETATM 4663 O HOH B 74 10.236 113.162 72.074 1.00 45.46 O +HETATM 4664 O HOH B 79 26.409 103.130 54.833 1.00 61.21 O +HETATM 4665 O HOH B 80 21.803 100.889 66.301 1.00 55.81 O +HETATM 4666 O HOH B 81 22.904 99.775 63.715 1.00 49.29 O +HETATM 4667 O HOH B 82 13.177 93.111 49.532 1.00 52.51 O +HETATM 4668 O HOH B 85 29.401 97.940 62.305 1.00 57.21 O +HETATM 4669 O HOH B 86 26.458 99.944 61.993 1.00 43.79 O +HETATM 4670 O HOH B 87 9.502 79.874 48.864 1.00 43.69 O +HETATM 4671 O HOH B 89 5.748 67.558 50.657 1.00 46.53 O +HETATM 4672 O HOH B 95 25.650 101.532 63.795 1.00 51.93 O +HETATM 4673 O HOH B 96 22.074 104.699 56.547 1.00 60.08 O +HETATM 4674 O HOH B 98 20.107 96.605 74.003 1.00 56.83 O +HETATM 4675 O HOH B 100 17.284 109.452 66.429 1.00 48.32 O +HETATM 4676 O HOH B 103 26.906 97.317 43.079 1.00 57.29 O +HETATM 4677 O HOH B 105 16.399 102.637 75.006 1.00 56.12 O +HETATM 4678 O HOH B 111 11.480 75.733 65.633 1.00 49.62 O +HETATM 4679 O HOH B 113 15.058 84.308 46.098 1.00 46.65 O +HETATM 4680 O HOH B 116 19.664 107.483 56.854 1.00 45.78 O +HETATM 4681 O HOH B 121 20.148 96.409 46.350 1.00 47.03 O +HETATM 4682 O HOH B 122 38.123 92.099 47.443 1.00 51.86 O +HETATM 4683 O HOH B 123 18.145 100.420 66.245 1.00 48.56 O +HETATM 4684 O HOH B 124 32.722 77.652 66.309 1.00 50.94 O +HETATM 4685 O HOH B 130 23.932 103.748 54.158 1.00 57.99 O +HETATM 4686 O HOH B 132 9.386 99.323 73.734 1.00 43.59 O +HETATM 4687 O HOH B 133 6.605 79.689 49.326 1.00 56.25 O +HETATM 4688 O HOH B 134 7.609 97.182 54.946 1.00 61.21 O +HETATM 4689 O HOH B 136 9.434 90.139 56.089 1.00 46.70 O +HETATM 4690 O HOH B 138 4.712 101.353 70.418 1.00 49.76 O +HETATM 4691 O HOH B 139 5.432 111.672 67.702 1.00 57.82 O +HETATM 4692 O HOH B 140 31.107 83.881 40.531 1.00 52.41 O +HETATM 4693 O HOH B 141 20.194 102.750 67.584 1.00 77.96 O +HETATM 4694 O HOH B 145 4.232 108.492 74.741 1.00 55.24 O +HETATM 4695 O HOH B 146 14.451 75.419 53.347 1.00 44.97 O +HETATM 4696 O HOH B 148 32.325 97.513 56.275 1.00 67.13 O +HETATM 4697 O HOH B 149 14.205 69.129 69.393 1.00 59.47 O +HETATM 4698 O HOH B 150 20.291 104.918 47.009 1.00 55.37 O +HETATM 4699 O HOH B 151 8.170 85.881 67.766 1.00 47.66 O +HETATM 4700 O HOH B 152 5.923 62.517 46.035 1.00 57.74 O +HETATM 4701 O HOH B 153 13.728 80.196 70.506 1.00 45.27 O +HETATM 4702 O HOH B 156 22.733 107.598 62.504 1.00 63.82 O +HETATM 4703 O HOH B 164 12.406 115.280 72.487 1.00 64.13 O +HETATM 4704 O HOH B 165 9.612 98.238 56.739 1.00 56.74 O +HETATM 4705 O HOH B 166 16.189 96.980 64.153 1.00 64.52 O +HETATM 4706 O HOH B 168 14.489 102.942 46.768 1.00 84.23 O +HETATM 4707 O HOH B 171 19.279 65.863 59.526 1.00 36.89 O +HETATM 4708 O HOH B 172 15.826 86.328 49.861 1.00 40.94 O +HETATM 4709 O HOH B 175 2.670 108.370 72.620 1.00 78.90 O +HETATM 4710 O HOH B 176 5.240 106.810 72.760 1.00 74.68 O +HETATM 4711 O HOH B 177 17.030 101.860 47.161 1.00 80.63 O +HETATM 4712 O HOH B 178 14.420 105.221 45.150 1.00 80.78 O +CONECT 4465 4466 4470 +CONECT 4466 4465 4467 +CONECT 4467 4466 4468 4471 +CONECT 4468 4467 4469 +CONECT 4469 4468 4470 +CONECT 4470 4465 4469 +CONECT 4471 4467 4472 4476 +CONECT 4472 4471 4473 +CONECT 4473 4472 4474 +CONECT 4474 4473 4475 +CONECT 4475 4474 4476 4477 +CONECT 4476 4471 4475 +CONECT 4477 4475 4478 +CONECT 4478 4477 4479 4483 +CONECT 4479 4478 4480 4501 +CONECT 4480 4479 4481 +CONECT 4481 4480 4482 +CONECT 4482 4481 4483 4484 +CONECT 4483 4478 4482 +CONECT 4484 4482 4485 +CONECT 4485 4484 4486 4500 +CONECT 4486 4485 4487 4491 +CONECT 4487 4486 4488 +CONECT 4488 4487 4489 +CONECT 4489 4488 4490 4492 +CONECT 4490 4489 4491 +CONECT 4491 4486 4490 +CONECT 4492 4489 4493 +CONECT 4493 4492 4494 4499 +CONECT 4494 4493 4495 +CONECT 4495 4494 4496 +CONECT 4496 4495 4497 4498 +CONECT 4497 4496 +CONECT 4498 4496 4499 +CONECT 4499 4493 4498 +CONECT 4500 4485 +CONECT 4501 4479 +CONECT 4504 4505 4509 +CONECT 4505 4504 4506 +CONECT 4506 4505 4507 4510 +CONECT 4507 4506 4508 +CONECT 4508 4507 4509 +CONECT 4509 4504 4508 +CONECT 4510 4506 4511 4515 +CONECT 4511 4510 4512 +CONECT 4512 4511 4513 +CONECT 4513 4512 4514 +CONECT 4514 4513 4515 4516 +CONECT 4515 4510 4514 +CONECT 4516 4514 4517 +CONECT 4517 4516 4518 4522 +CONECT 4518 4517 4519 4540 +CONECT 4519 4518 4520 +CONECT 4520 4519 4521 +CONECT 4521 4520 4522 4523 +CONECT 4522 4517 4521 +CONECT 4523 4521 4524 +CONECT 4524 4523 4525 4539 +CONECT 4525 4524 4526 4530 +CONECT 4526 4525 4527 +CONECT 4527 4526 4528 +CONECT 4528 4527 4529 4531 +CONECT 4529 4528 4530 +CONECT 4530 4525 4529 +CONECT 4531 4528 4532 +CONECT 4532 4531 4533 4538 +CONECT 4533 4532 4534 +CONECT 4534 4533 4535 +CONECT 4535 4534 4536 4537 +CONECT 4536 4535 +CONECT 4537 4535 4538 +CONECT 4538 4532 4537 +CONECT 4539 4524 +CONECT 4540 4518 +MASTER 393 0 8 33 18 0 16 6 4710 2 74 46 +END diff --git a/data/targets/discovery_benchmark/mdm2_4hg7.pdb b/data/targets/discovery_benchmark/mdm2_4hg7.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f48dbd46fd17a856f7d5cdd32b471ebd413f7567 --- /dev/null +++ b/data/targets/discovery_benchmark/mdm2_4hg7.pdb @@ -0,0 +1,2303 @@ +HEADER LIGASE 07-OCT-12 4HG7 +TITLE CRYSTAL STRUCTURE OF AN MDM2/NUTLIN-3A COMPLEX +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: E3 UBIQUITIN-PROTEIN LIGASE MDM2; +COMPND 3 CHAIN: A; +COMPND 4 FRAGMENT: P53 BINDING DOMAIN (RESIDUES 17-125); +COMPND 5 SYNONYM: DOUBLE MINUTE 2 PROTEIN, HDM2, ONCOPROTEIN MDM2, P53-BINDING +COMPND 6 PROTEIN MDM2; +COMPND 7 EC: 6.3.2.-; +COMPND 8 ENGINEERED: YES; +COMPND 9 MUTATION: YES +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; +SOURCE 3 ORGANISM_COMMON: HUMAN; +SOURCE 4 ORGANISM_TAXID: 9606; +SOURCE 5 GENE: MDM2; +SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; +SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; +SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3); +SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; +SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PGEX6P1 +KEYWDS MDM2, NUTLIN-3A, SURFACE ENTROPY REDUCTION, MUTANT VALIDATION, LIGASE +EXPDTA X-RAY DIFFRACTION +AUTHOR M.E.M.NOBLE,B.ANIL,C.RIEDINGER,J.A.ENDICOTT +REVDAT 3 28-FEB-24 4HG7 1 REMARK SEQADV +REVDAT 2 21-AUG-13 4HG7 1 JRNL +REVDAT 1 31-JUL-13 4HG7 0 +JRNL AUTH B.ANIL,C.RIEDINGER,J.A.ENDICOTT,M.E.NOBLE +JRNL TITL THE STRUCTURE OF AN MDM2-NUTLIN-3A COMPLEX SOLVED BY THE USE +JRNL TITL 2 OF A VALIDATED MDM2 SURFACE-ENTROPY REDUCTION MUTANT. +JRNL REF ACTA CRYSTALLOGR.,SECT.D V. 69 1358 2013 +JRNL REFN ISSN 0907-4449 +JRNL PMID 23897459 +JRNL DOI 10.1107/S0907444913004459 +REMARK 2 +REMARK 2 RESOLUTION. 1.60 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : REFMAC 5.6.0117 +REMARK 3 AUTHORS : MURSHUDOV,SKUBAK,LEBEDEV,PANNU,STEINER, +REMARK 3 : NICHOLLS,WINN,LONG,VAGIN +REMARK 3 +REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.60 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 30.94 +REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.200 +REMARK 3 COMPLETENESS FOR RANGE (%) : 98.8 +REMARK 3 NUMBER OF REFLECTIONS : 20070 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT +REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM +REMARK 3 R VALUE (WORKING + TEST SET) : 0.176 +REMARK 3 R VALUE (WORKING SET) : 0.173 +REMARK 3 FREE R VALUE : 0.215 +REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 +REMARK 3 FREE R VALUE TEST SET COUNT : 1065 +REMARK 3 +REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. +REMARK 3 TOTAL NUMBER OF BINS USED : 20 +REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.60 +REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.64 +REMARK 3 REFLECTION IN BIN (WORKING SET) : 1299 +REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 98.84 +REMARK 3 BIN R VALUE (WORKING SET) : 0.2360 +REMARK 3 BIN FREE R VALUE SET COUNT : 61 +REMARK 3 BIN FREE R VALUE : 0.3060 +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 744 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 45 +REMARK 3 SOLVENT ATOMS : 97 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : NULL +REMARK 3 MEAN B VALUE (OVERALL, A**2) : 21.61 +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : -0.55000 +REMARK 3 B22 (A**2) : -0.55000 +REMARK 3 B33 (A**2) : 0.83000 +REMARK 3 B12 (A**2) : -0.28000 +REMARK 3 B13 (A**2) : 0.00000 +REMARK 3 B23 (A**2) : 0.00000 +REMARK 3 +REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. +REMARK 3 ESU BASED ON R VALUE (A): 0.081 +REMARK 3 ESU BASED ON FREE R VALUE (A): 0.076 +REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.043 +REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 2.668 +REMARK 3 +REMARK 3 CORRELATION COEFFICIENTS. +REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.955 +REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.934 +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT +REMARK 3 BOND LENGTHS REFINED ATOMS (A): 862 ; 0.014 ; 0.020 +REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL +REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 1181 ; 1.596 ; 2.063 +REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL +REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 108 ; 5.039 ; 5.000 +REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 35 ;41.647 ;24.286 +REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 165 ;12.277 ;15.000 +REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 4 ;16.794 ;15.000 +REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 132 ; 0.085 ; 0.200 +REMARK 3 GENERAL PLANES REFINED ATOMS (A): 646 ; 0.011 ; 0.021 +REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL +REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL +REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL +REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL +REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY VDW REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL +REMARK 3 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT +REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 LONG RANGE B REFINED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 LONG RANGE B OTHER ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 +REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT +REMARK 3 RIGID-BOND RESTRAINTS (A**2): 861 ; 4.481 ; 3.000 +REMARK 3 SPHERICITY; FREE ATOMS (A**2): 47 ;28.475 ; 5.000 +REMARK 3 SPHERICITY; BONDED ATOMS (A**2): 894 ;13.951 ; 5.000 +REMARK 3 +REMARK 3 NCS RESTRAINTS STATISTICS +REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL +REMARK 3 +REMARK 3 TLS DETAILS +REMARK 3 NUMBER OF TLS GROUPS : NULL +REMARK 3 +REMARK 3 BULK SOLVENT MODELLING. +REMARK 3 METHOD USED : MASK +REMARK 3 PARAMETERS FOR MASK CALCULATION +REMARK 3 VDW PROBE RADIUS : 1.20 +REMARK 3 ION PROBE RADIUS : 0.80 +REMARK 3 SHRINKAGE RADIUS : 0.80 +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN USED IF PRESENT IN +REMARK 3 THE INPUT +REMARK 4 +REMARK 4 4HG7 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 12-OCT-12. +REMARK 100 THE DEPOSITION ID IS D_1000075426. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : 26-NOV-10 +REMARK 200 TEMPERATURE (KELVIN) : 298 +REMARK 200 PH : 5.6 +REMARK 200 NUMBER OF CRYSTALS USED : 1 +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : Y +REMARK 200 RADIATION SOURCE : ESRF +REMARK 200 BEAMLINE : ID23-2 +REMARK 200 X-RAY GENERATOR MODEL : NULL +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 0.8726 +REMARK 200 MONOCHROMATOR : SI 111 CHANNEL +REMARK 200 OPTICS : NULL +REMARK 200 +REMARK 200 DETECTOR TYPE : CCD +REMARK 200 DETECTOR MANUFACTURER : MARMOSAIC 225 MM CCD +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS +REMARK 200 DATA SCALING SOFTWARE : XDS, SCALA +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 21274 +REMARK 200 RESOLUTION RANGE HIGH (A) : 1.600 +REMARK 200 RESOLUTION RANGE LOW (A) : 33.790 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 2.000 +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 99.5 +REMARK 200 DATA REDUNDANCY : NULL +REMARK 200 R MERGE (I) : NULL +REMARK 200 R SYM (I) : NULL +REMARK 200 FOR THE DATA SET : NULL +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.60 +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.69 +REMARK 200 COMPLETENESS FOR SHELL (%) : 99.5 +REMARK 200 DATA REDUNDANCY IN SHELL : NULL +REMARK 200 R MERGE FOR SHELL (I) : NULL +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 FOR SHELL : NULL +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT +REMARK 200 SOFTWARE USED: PHASER +REMARK 200 STARTING MODEL: NULL +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 64.50 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.46 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: 0.5 M AMMONIUM SULFATE, 0.1 M SODIUM +REMARK 280 CITRATE, 1.0 M LITHIUM SULFATE, PH 5.6, VAPOR DIFFUSION, SITTING +REMARK 280 DROP, TEMPERATURE 277K +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 65 2 2 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -Y,X-Y,Z+2/3 +REMARK 290 3555 -X+Y,-X,Z+1/3 +REMARK 290 4555 -X,-Y,Z+1/2 +REMARK 290 5555 Y,-X+Y,Z+1/6 +REMARK 290 6555 X-Y,X,Z+5/6 +REMARK 290 7555 Y,X,-Z+2/3 +REMARK 290 8555 X-Y,-Y,-Z +REMARK 290 9555 -X,-X+Y,-Z+1/3 +REMARK 290 10555 -Y,-X,-Z+1/6 +REMARK 290 11555 -X+Y,Y,-Z+1/2 +REMARK 290 12555 X,X-Y,-Z+5/6 +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 69.46933 +REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 34.73467 +REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 52.10200 +REMARK 290 SMTRY1 5 0.500000 0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 5 -0.866025 0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 17.36733 +REMARK 290 SMTRY1 6 0.500000 -0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 6 0.866025 0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 86.83667 +REMARK 290 SMTRY1 7 -0.500000 0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 7 0.866025 0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 69.46933 +REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 SMTRY1 9 -0.500000 -0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 9 -0.866025 0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 9 0.000000 0.000000 -1.000000 34.73467 +REMARK 290 SMTRY1 10 0.500000 -0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 10 -0.866025 -0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 10 0.000000 0.000000 -1.000000 17.36733 +REMARK 290 SMTRY1 11 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 11 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 11 0.000000 0.000000 -1.000000 52.10200 +REMARK 290 SMTRY1 12 0.500000 0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 12 0.866025 -0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 12 0.000000 0.000000 -1.000000 86.83667 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1, 2 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 +REMARK 350 BIOMOLECULE: 2 +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 1170 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 10140 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -9.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 BIOMT1 2 0.500000 0.866025 0.000000 -35.72500 +REMARK 350 BIOMT2 2 0.866025 -0.500000 0.000000 61.87752 +REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 -17.36733 +REMARK 465 +REMARK 465 MISSING RESIDUES +REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE +REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) +REMARK 465 +REMARK 465 M RES C SSSEQI +REMARK 465 GLY A 12 +REMARK 465 PRO A 13 +REMARK 465 LEU A 14 +REMARK 465 GLY A 15 +REMARK 465 SER A 16 +REMARK 465 SER A 17 +REMARK 800 +REMARK 800 SITE +REMARK 800 SITE_IDENTIFIER: AC1 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NUT A 201 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC2 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 202 +REMARK 900 +REMARK 900 RELATED ENTRIES +REMARK 900 RELATED ID: 4HFZ RELATED DB: PDB +REMARK 900 STRUCTURE SOLVED USING THE SAME SURFACE MUTATIONS OF THE SAME +REMARK 900 CONSTRUCT +DBREF 4HG7 A 17 108 UNP Q00987 MDM2_HUMAN 17 108 +SEQADV 4HG7 GLY A 12 UNP Q00987 EXPRESSION TAG +SEQADV 4HG7 PRO A 13 UNP Q00987 EXPRESSION TAG +SEQADV 4HG7 LEU A 14 UNP Q00987 EXPRESSION TAG +SEQADV 4HG7 GLY A 15 UNP Q00987 EXPRESSION TAG +SEQADV 4HG7 SER A 16 UNP Q00987 EXPRESSION TAG +SEQADV 4HG7 ALA A 69 UNP Q00987 GLU 69 ENGINEERED MUTATION +SEQADV 4HG7 ALA A 70 UNP Q00987 LYS 70 ENGINEERED MUTATION +SEQRES 1 A 97 GLY PRO LEU GLY SER SER GLN ILE PRO ALA SER GLU GLN +SEQRES 2 A 97 GLU THR LEU VAL ARG PRO LYS PRO LEU LEU LEU LYS LEU +SEQRES 3 A 97 LEU LYS SER VAL GLY ALA GLN LYS ASP THR TYR THR MET +SEQRES 4 A 97 LYS GLU VAL LEU PHE TYR LEU GLY GLN TYR ILE MET THR +SEQRES 5 A 97 LYS ARG LEU TYR ASP ALA ALA GLN GLN HIS ILE VAL TYR +SEQRES 6 A 97 CYS SER ASN ASP LEU LEU GLY ASP LEU PHE GLY VAL PRO +SEQRES 7 A 97 SER PHE SER VAL LYS GLU HIS ARG LYS ILE TYR THR MET +SEQRES 8 A 97 ILE TYR ARG ASN LEU VAL +HET NUT A 201 40 +HET SO4 A 202 5 +HETNAM NUT 4-({(4S,5R)-4,5-BIS(4-CHLOROPHENYL)-2-[4-METHOXY-2- +HETNAM 2 NUT (PROPAN-2-YLOXY)PHENYL]-4,5-DIHYDRO-1H-IMIDAZOL-1- +HETNAM 3 NUT YL}CARBONYL)PIPERAZIN-2-ONE +HETNAM SO4 SULFATE ION +HETSYN NUT NUTLIN 3A +FORMUL 2 NUT C30 H30 CL2 N4 O4 +FORMUL 3 SO4 O4 S 2- +FORMUL 4 HOH *97(H2 O) +HELIX 1 1 PRO A 20 GLU A 25 1 6 +HELIX 2 2 LYS A 31 VAL A 41 1 11 +HELIX 3 3 MET A 50 LYS A 64 1 15 +HELIX 4 4 ASP A 80 GLY A 87 1 8 +HELIX 5 5 GLU A 95 ARG A 105 1 11 +SHEET 1 A 2 LEU A 27 VAL A 28 0 +SHEET 2 A 2 TYR A 48 THR A 49 -1 O TYR A 48 N VAL A 28 +SHEET 1 B 2 ILE A 74 TYR A 76 0 +SHEET 2 B 2 SER A 90 SER A 92 -1 O PHE A 91 N VAL A 75 +SITE 1 AC1 14 PRO A 32 LEU A 54 LEU A 57 GLY A 58 +SITE 2 AC1 14 ILE A 61 MET A 62 GLN A 72 HIS A 73 +SITE 3 AC1 14 VAL A 93 HIS A 96 SO4 A 202 HOH A 307 +SITE 4 AC1 14 HOH A 327 HOH A 338 +SITE 1 AC2 9 LYS A 31 GLN A 71 GLN A 72 HIS A 73 +SITE 2 AC2 9 NUT A 201 HOH A 320 HOH A 324 HOH A 331 +SITE 3 AC2 9 HOH A 347 +CRYST1 71.450 71.450 104.204 90.00 90.00 120.00 P 65 2 2 12 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.013996 0.008080 0.000000 0.00000 +SCALE2 0.000000 0.016161 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.009597 0.00000 +ATOM 1 N GLN A 18 -33.251 16.116 -16.144 1.00 26.63 N +ANISOU 1 N GLN A 18 4640 2822 2656 -316 -1400 183 N +ATOM 2 CA GLN A 18 -33.744 16.395 -14.779 1.00 22.76 C +ANISOU 2 CA GLN A 18 3338 2405 2903 -275 -1288 305 C +ATOM 3 C GLN A 18 -33.202 17.722 -14.291 1.00 22.08 C +ANISOU 3 C GLN A 18 2621 2319 3449 -200 -497 -1 C +ATOM 4 O GLN A 18 -33.766 18.329 -13.368 1.00 24.13 O +ANISOU 4 O GLN A 18 2690 2483 3994 -237 -356 -205 O +ATOM 5 CB GLN A 18 -33.223 15.314 -13.819 1.00 21.88 C +ANISOU 5 CB GLN A 18 3432 1792 3088 -340 -1412 170 C +ATOM 6 CG GLN A 18 -33.750 13.922 -14.126 1.00 22.46 C +ANISOU 6 CG GLN A 18 3459 2103 2971 -580 -1541 -52 C +ATOM 7 CD GLN A 18 -33.207 12.844 -13.217 1.00 25.20 C +ANISOU 7 CD GLN A 18 3273 3187 3115 454 -1263 -53 C +ATOM 8 OE1 GLN A 18 -32.919 11.702 -13.662 1.00 29.66 O +ANISOU 8 OE1 GLN A 18 3349 3370 4550 232 -747 -698 O +ATOM 9 NE2 GLN A 18 -33.110 13.159 -11.948 1.00 17.15 N +ANISOU 9 NE2 GLN A 18 1933 1583 2999 -115 -781 -35 N +ATOM 10 N ILE A 19 -32.048 18.114 -14.839 1.00 17.77 N +ANISOU 10 N ILE A 19 2530 1935 2285 -338 -734 207 N +ATOM 11 CA ILE A 19 -31.388 19.371 -14.398 1.00 15.09 C +ANISOU 11 CA ILE A 19 2131 1737 1863 74 -659 62 C +ATOM 12 C ILE A 19 -31.360 20.363 -15.568 1.00 15.53 C +ANISOU 12 C ILE A 19 2361 1674 1864 182 -752 47 C +ATOM 13 O ILE A 19 -30.874 20.015 -16.645 1.00 17.20 O +ANISOU 13 O ILE A 19 2406 2015 2113 362 -660 -123 O +ATOM 14 CB ILE A 19 -29.940 19.163 -13.897 1.00 14.39 C +ANISOU 14 CB ILE A 19 2047 1801 1618 329 -410 228 C +ATOM 15 CG1 ILE A 19 -29.853 18.064 -12.782 1.00 12.77 C +ANISOU 15 CG1 ILE A 19 1935 1683 1231 127 -401 18 C +ATOM 16 CG2 ILE A 19 -29.332 20.499 -13.400 1.00 16.71 C +ANISOU 16 CG2 ILE A 19 1954 2286 2110 227 -202 -216 C +ATOM 17 CD1 ILE A 19 -30.565 18.411 -11.459 1.00 14.95 C +ANISOU 17 CD1 ILE A 19 2162 1975 1541 37 -134 -328 C +ATOM 18 N PRO A 20 -31.850 21.618 -15.350 1.00 15.79 N +ANISOU 18 N PRO A 20 2330 1730 1938 260 -608 14 N +ATOM 19 CA PRO A 20 -31.833 22.555 -16.472 1.00 16.93 C +ANISOU 19 CA PRO A 20 2676 1398 2358 320 -866 -67 C +ATOM 20 C PRO A 20 -30.406 22.832 -17.002 1.00 16.79 C +ANISOU 20 C PRO A 20 2548 1866 1964 138 -1057 145 C +ATOM 21 O PRO A 20 -29.440 22.933 -16.233 1.00 14.85 O +ANISOU 21 O PRO A 20 2305 1747 1591 299 -940 112 O +ATOM 22 CB PRO A 20 -32.480 23.840 -15.887 1.00 18.84 C +ANISOU 22 CB PRO A 20 2717 1295 3145 420 -428 91 C +ATOM 23 CG PRO A 20 -33.228 23.392 -14.660 1.00 21.77 C +ANISOU 23 CG PRO A 20 3463 2238 2569 951 -776 325 C +ATOM 24 CD PRO A 20 -32.571 22.141 -14.171 1.00 17.00 C +ANISOU 24 CD PRO A 20 2395 1895 2169 578 -544 157 C +ATOM 25 N ALA A 21 -30.285 22.997 -18.307 1.00 18.79 N +ANISOU 25 N ALA A 21 2905 2213 2022 250 -396 -137 N +ATOM 26 CA ALA A 21 -28.996 23.235 -18.942 1.00 18.45 C +ANISOU 26 CA ALA A 21 2932 2470 1605 -75 -384 67 C +ATOM 27 C ALA A 21 -28.269 24.431 -18.361 1.00 16.30 C +ANISOU 27 C ALA A 21 2630 1811 1750 274 -555 348 C +ATOM 28 O ALA A 21 -27.044 24.367 -18.157 1.00 17.22 O +ANISOU 28 O ALA A 21 2657 2174 1712 398 -620 64 O +ATOM 29 CB ALA A 21 -29.182 23.417 -20.449 1.00 21.78 C +ANISOU 29 CB ALA A 21 3815 2638 1820 308 -1291 -25 C +ATOM 30 N SER A 22 -28.998 25.516 -18.059 1.00 15.80 N +ANISOU 30 N SER A 22 2616 1886 1500 210 -835 148 N +ATOM 31 CA ASER A 22 -28.345 26.723 -17.527 0.80 15.69 C +ANISOU 31 CA ASER A 22 2635 1811 1516 415 -676 -30 C +ATOM 32 CA BSER A 22 -28.340 26.708 -17.516 0.20 15.19 C +ANISOU 32 CA BSER A 22 2460 1748 1563 299 -655 159 C +ATOM 33 C SER A 22 -27.637 26.438 -16.184 1.00 14.66 C +ANISOU 33 C SER A 22 2235 1760 1573 186 -587 265 C +ATOM 34 O SER A 22 -26.570 26.985 -15.905 1.00 15.22 O +ANISOU 34 O SER A 22 2118 1875 1790 210 -331 80 O +ATOM 35 CB ASER A 22 -29.349 27.885 -17.393 0.80 18.00 C +ANISOU 35 CB ASER A 22 2303 2321 2215 657 -523 449 C +ATOM 36 CB BSER A 22 -29.339 27.848 -17.370 0.20 15.24 C +ANISOU 36 CB BSER A 22 2316 1870 1603 397 -782 534 C +ATOM 37 OG ASER A 22 -30.358 27.609 -16.431 0.80 19.75 O +ANISOU 37 OG ASER A 22 2193 2306 3005 85 -402 427 O +ATOM 38 OG BSER A 22 -29.824 28.215 -18.642 0.20 15.16 O +ANISOU 38 OG BSER A 22 2227 1701 1831 446 -923 671 O +ATOM 39 N GLU A 23 -28.238 25.588 -15.365 1.00 13.27 N +ANISOU 39 N GLU A 23 2096 1531 1415 257 -548 46 N +ATOM 40 CA GLU A 23 -27.706 25.250 -14.063 1.00 11.57 C +ANISOU 40 CA GLU A 23 1771 1462 1163 353 -149 43 C +ATOM 41 C GLU A 23 -26.448 24.374 -14.226 1.00 12.43 C +ANISOU 41 C GLU A 23 1836 1591 1293 464 -281 -52 C +ATOM 42 O GLU A 23 -25.468 24.556 -13.499 1.00 14.56 O +ANISOU 42 O GLU A 23 1996 1841 1695 306 -436 240 O +ATOM 43 CB GLU A 23 -28.777 24.514 -13.238 1.00 12.59 C +ANISOU 43 CB GLU A 23 1860 1612 1309 214 -341 235 C +ATOM 44 CG GLU A 23 -28.287 24.177 -11.848 1.00 12.34 C +ANISOU 44 CG GLU A 23 1650 1493 1543 353 -578 286 C +ATOM 45 CD GLU A 23 -29.328 23.506 -10.983 1.00 13.98 C +ANISOU 45 CD GLU A 23 1851 1683 1775 365 -351 197 C +ATOM 46 OE1 GLU A 23 -30.501 23.358 -11.410 1.00 13.47 O +ANISOU 46 OE1 GLU A 23 1999 1782 1336 288 -445 222 O +ATOM 47 OE2 GLU A 23 -28.941 23.116 -9.853 1.00 13.93 O +ANISOU 47 OE2 GLU A 23 2487 1486 1320 427 -150 -209 O +ATOM 48 N GLN A 24 -26.479 23.471 -15.221 1.00 12.50 N +ANISOU 48 N GLN A 24 1584 1550 1615 226 -493 -215 N +ATOM 49 CA GLN A 24 -25.328 22.600 -15.501 1.00 13.66 C +ANISOU 49 CA GLN A 24 1791 1652 1745 283 -194 -182 C +ATOM 50 C GLN A 24 -24.129 23.416 -15.972 1.00 14.42 C +ANISOU 50 C GLN A 24 2127 1758 1593 247 -210 325 C +ATOM 51 O GLN A 24 -22.978 23.016 -15.766 1.00 15.26 O +ANISOU 51 O GLN A 24 2034 2152 1609 90 -218 204 O +ATOM 52 CB GLN A 24 -25.670 21.566 -16.587 1.00 14.10 C +ANISOU 52 CB GLN A 24 1895 1713 1747 132 25 -311 C +ATOM 53 CG GLN A 24 -26.841 20.662 -16.210 1.00 14.46 C +ANISOU 53 CG GLN A 24 2188 1596 1710 -162 -226 -61 C +ATOM 54 CD GLN A 24 -27.020 19.503 -17.177 1.00 18.58 C +ANISOU 54 CD GLN A 24 2896 2075 2085 -166 -348 -473 C +ATOM 55 OE1 GLN A 24 -26.041 18.835 -17.539 1.00 22.28 O +ANISOU 55 OE1 GLN A 24 3360 2345 2757 335 -464 -571 O +ATOM 56 NE2 GLN A 24 -28.266 19.248 -17.603 1.00 19.87 N +ANISOU 56 NE2 GLN A 24 3143 2237 2169 121 -820 -43 N +ATOM 57 N GLU A 25 -24.411 24.544 -16.624 1.00 14.67 N +ANISOU 57 N GLU A 25 2350 1814 1406 126 -397 307 N +ATOM 58 CA AGLU A 25 -23.328 25.316 -17.231 0.50 15.24 C +ANISOU 58 CA AGLU A 25 2618 1938 1233 143 -283 578 C +ATOM 59 CA BGLU A 25 -23.390 25.367 -17.271 0.50 15.29 C +ANISOU 59 CA BGLU A 25 2542 1946 1320 149 -363 555 C +ATOM 60 C GLU A 25 -22.832 26.463 -16.361 1.00 14.84 C +ANISOU 60 C GLU A 25 2312 1986 1338 370 -461 433 C +ATOM 61 O GLU A 25 -22.020 27.266 -16.793 1.00 21.60 O +ANISOU 61 O GLU A 25 3235 2514 2457 -118 -166 453 O +ATOM 62 CB AGLU A 25 -23.710 25.812 -18.634 0.50 16.61 C +ANISOU 62 CB AGLU A 25 2822 2281 1206 470 -336 474 C +ATOM 63 CB BGLU A 25 -23.934 25.982 -18.586 0.50 17.56 C +ANISOU 63 CB BGLU A 25 2931 2446 1291 58 -572 535 C +ATOM 64 CG AGLU A 25 -23.992 24.696 -19.628 0.50 22.33 C +ANISOU 64 CG AGLU A 25 3403 2803 2278 208 -378 -214 C +ATOM 65 CG BGLU A 25 -24.340 24.954 -19.636 0.50 21.22 C +ANISOU 65 CG BGLU A 25 3052 3438 1572 220 -1391 130 C +ATOM 66 CD AGLU A 25 -22.764 23.851 -19.922 0.50 21.72 C +ANISOU 66 CD AGLU A 25 3929 3237 1087 746 -361 -13 C +ATOM 67 CD BGLU A 25 -25.021 25.525 -20.879 0.50 26.01 C +ANISOU 67 CD BGLU A 25 3651 3640 2591 1145 -1344 203 C +ATOM 68 OE1AGLU A 25 -22.915 22.672 -20.297 0.50 30.23 O +ANISOU 68 OE1AGLU A 25 5597 3249 2639 543 -127 -348 O +ATOM 69 OE1BGLU A 25 -25.758 26.538 -20.824 0.50 27.52 O +ANISOU 69 OE1BGLU A 25 3838 3314 3304 1529 -879 1017 O +ATOM 70 OE2AGLU A 25 -21.642 24.363 -19.781 0.50 25.51 O +ANISOU 70 OE2AGLU A 25 3740 3979 1971 983 -71 -74 O +ATOM 71 OE2BGLU A 25 -24.842 24.920 -21.950 0.50 39.48 O +ANISOU 71 OE2BGLU A 25 5766 5705 3530 283 55 -1047 O +ATOM 72 N THR A 26 -23.281 26.509 -15.104 1.00 14.27 N +ANISOU 72 N THR A 26 2117 1823 1480 364 -543 171 N +ATOM 73 CA THR A 26 -22.842 27.558 -14.172 1.00 15.62 C +ANISOU 73 CA THR A 26 2160 1926 1849 165 -569 51 C +ATOM 74 C THR A 26 -21.462 27.224 -13.603 1.00 15.85 C +ANISOU 74 C THR A 26 2243 2018 1759 139 -516 219 C +ATOM 75 O THR A 26 -21.225 26.077 -13.205 1.00 15.10 O +ANISOU 75 O THR A 26 2039 1641 2057 -38 -339 96 O +ATOM 76 CB THR A 26 -23.883 27.687 -13.037 1.00 16.30 C +ANISOU 76 CB THR A 26 2216 2042 1934 271 -461 -87 C +ATOM 77 OG1 THR A 26 -25.091 28.192 -13.629 1.00 21.42 O +ANISOU 77 OG1 THR A 26 2551 2646 2940 360 -1031 -377 O +ATOM 78 CG2 THR A 26 -23.447 28.670 -11.975 1.00 17.75 C +ANISOU 78 CG2 THR A 26 2486 2193 2063 -226 -285 66 C +ATOM 79 N LEU A 27 -20.570 28.218 -13.588 1.00 15.17 N +ANISOU 79 N LEU A 27 1898 2232 1631 55 -479 130 N +ATOM 80 CA LEU A 27 -19.212 28.063 -13.030 1.00 14.25 C +ANISOU 80 CA LEU A 27 1936 1711 1766 -65 -482 578 C +ATOM 81 C LEU A 27 -19.252 28.024 -11.506 1.00 15.15 C +ANISOU 81 C LEU A 27 2201 1738 1815 125 -550 272 C +ATOM 82 O LEU A 27 -19.839 28.918 -10.873 1.00 15.64 O +ANISOU 82 O LEU A 27 2210 2017 1713 235 -442 373 O +ATOM 83 CB LEU A 27 -18.283 29.193 -13.512 1.00 16.16 C +ANISOU 83 CB LEU A 27 2037 1993 2108 -167 -296 672 C +ATOM 84 CG LEU A 27 -16.777 28.995 -13.263 1.00 19.41 C +ANISOU 84 CG LEU A 27 2214 2139 3022 -159 -394 315 C +ATOM 85 CD1 LEU A 27 -16.222 27.959 -14.241 1.00 21.37 C +ANISOU 85 CD1 LEU A 27 2366 2303 3450 634 -154 453 C +ATOM 86 CD2 LEU A 27 -16.050 30.325 -13.415 1.00 23.69 C +ANISOU 86 CD2 LEU A 27 2612 2629 3757 -541 -142 519 C +ATOM 87 N VAL A 28 -18.608 27.015 -10.910 1.00 14.49 N +ANISOU 87 N VAL A 28 2193 1493 1819 -160 -563 307 N +ATOM 88 CA VAL A 28 -18.543 26.887 -9.458 1.00 15.32 C +ANISOU 88 CA VAL A 28 2067 1758 1995 -378 -533 532 C +ATOM 89 C VAL A 28 -17.112 26.638 -8.995 1.00 15.78 C +ANISOU 89 C VAL A 28 2190 1754 2051 -188 -661 175 C +ATOM 90 O VAL A 28 -16.222 26.321 -9.811 1.00 15.89 O +ANISOU 90 O VAL A 28 2005 1809 2223 -39 -551 473 O +ATOM 91 CB VAL A 28 -19.461 25.735 -8.965 1.00 13.82 C +ANISOU 91 CB VAL A 28 1736 1714 1801 -136 -424 610 C +ATOM 92 CG1 VAL A 28 -20.934 26.068 -9.313 1.00 17.35 C +ANISOU 92 CG1 VAL A 28 1859 2517 2217 -24 -698 671 C +ATOM 93 CG2 VAL A 28 -19.030 24.400 -9.592 1.00 16.56 C +ANISOU 93 CG2 VAL A 28 2329 1725 2235 -434 -474 463 C +ATOM 94 N ARG A 29 -16.904 26.762 -7.682 1.00 14.38 N +ANISOU 94 N ARG A 29 1823 1628 2010 3 -704 634 N +ATOM 95 CA ARG A 29 -15.579 26.613 -7.073 1.00 13.71 C +ANISOU 95 CA ARG A 29 1776 1240 2191 -167 -843 241 C +ATOM 96 C ARG A 29 -15.649 25.531 -6.029 1.00 13.63 C +ANISOU 96 C ARG A 29 1898 1374 1907 -253 -739 126 C +ATOM 97 O ARG A 29 -16.136 25.779 -4.930 1.00 14.66 O +ANISOU 97 O ARG A 29 2062 1520 1988 -218 -721 148 O +ATOM 98 CB ARG A 29 -15.109 27.923 -6.425 1.00 15.65 C +ANISOU 98 CB ARG A 29 1991 1406 2549 -729 -476 307 C +ATOM 99 CG ARG A 29 -13.683 27.868 -5.884 1.00 21.97 C +ANISOU 99 CG ARG A 29 2555 2305 3487 -539 -1276 224 C +ATOM 100 CD ARG A 29 -13.241 29.194 -5.290 1.00 27.46 C +ANISOU 100 CD ARG A 29 4330 2716 3385 -1549 -757 368 C +ATOM 101 NE ARG A 29 -13.150 30.249 -6.290 1.00 32.40 N +ANISOU 101 NE ARG A 29 5718 2374 4216 -1757 -892 456 N +ATOM 102 CZ ARG A 29 -12.098 30.469 -7.085 1.00 38.59 C +ANISOU 102 CZ ARG A 29 6046 3877 4736 -601 -243 1252 C +ATOM 103 NH1 ARG A 29 -11.008 29.687 -7.031 1.00 33.71 N +ANISOU 103 NH1 ARG A 29 4592 3489 4725 -1999 -448 706 N +ATOM 104 NH2 ARG A 29 -12.143 31.485 -7.941 1.00 32.09 N +ANISOU 104 NH2 ARG A 29 4541 3571 4077 -343 -1348 885 N +ATOM 105 N PRO A 30 -15.181 24.316 -6.348 1.00 13.07 N +ANISOU 105 N PRO A 30 1693 1467 1805 -115 -663 269 N +ATOM 106 CA PRO A 30 -15.167 23.263 -5.294 1.00 13.18 C +ANISOU 106 CA PRO A 30 1905 1272 1828 43 -843 239 C +ATOM 107 C PRO A 30 -14.380 23.676 -4.026 1.00 14.69 C +ANISOU 107 C PRO A 30 2222 1502 1854 -115 -915 298 C +ATOM 108 O PRO A 30 -13.327 24.342 -4.121 1.00 16.92 O +ANISOU 108 O PRO A 30 2160 2071 2196 -149 -807 82 O +ATOM 109 CB PRO A 30 -14.405 22.110 -5.977 1.00 13.49 C +ANISOU 109 CB PRO A 30 2277 1242 1605 115 -788 235 C +ATOM 110 CG PRO A 30 -14.762 22.288 -7.456 1.00 15.77 C +ANISOU 110 CG PRO A 30 2552 1571 1867 -69 -942 969 C +ATOM 111 CD PRO A 30 -14.720 23.808 -7.660 1.00 14.98 C +ANISOU 111 CD PRO A 30 2158 1416 2117 118 -322 321 C +ATOM 112 N LYS A 31 -14.847 23.256 -2.852 1.00 14.59 N +ANISOU 112 N LYS A 31 2113 1686 1741 -220 -994 216 N +ATOM 113 CA LYS A 31 -13.977 23.335 -1.654 1.00 13.86 C +ANISOU 113 CA LYS A 31 1899 1465 1899 -226 -993 85 C +ATOM 114 C LYS A 31 -12.770 22.350 -1.863 1.00 15.59 C +ANISOU 114 C LYS A 31 1973 1674 2275 -103 -1118 -140 C +ATOM 115 O LYS A 31 -12.827 21.470 -2.737 1.00 14.44 O +ANISOU 115 O LYS A 31 2139 1438 1909 56 -1123 47 O +ATOM 116 CB LYS A 31 -14.767 22.947 -0.377 1.00 14.58 C +ANISOU 116 CB LYS A 31 2468 1600 1472 211 -811 -37 C +ATOM 117 CG LYS A 31 -15.923 23.899 -0.039 1.00 17.58 C +ANISOU 117 CG LYS A 31 2326 2106 2245 454 -848 231 C +ATOM 118 CD LYS A 31 -16.698 23.330 1.174 1.00 18.03 C +ANISOU 118 CD LYS A 31 2601 2157 2089 601 -574 207 C +ATOM 119 CE LYS A 31 -17.917 24.171 1.536 1.00 22.36 C +ANISOU 119 CE LYS A 31 3021 3146 2329 825 -362 294 C +ATOM 120 NZ LYS A 31 -18.520 23.621 2.790 1.00 22.36 N +ANISOU 120 NZ LYS A 31 2599 3744 2152 -38 -839 429 N +ATOM 121 N PRO A 32 -11.689 22.496 -1.083 1.00 14.00 N +ANISOU 121 N PRO A 32 1862 1556 1900 -232 -933 80 N +ATOM 122 CA PRO A 32 -10.471 21.711 -1.373 1.00 14.88 C +ANISOU 122 CA PRO A 32 1762 1640 2249 -417 -1129 215 C +ATOM 123 C PRO A 32 -10.620 20.195 -1.342 1.00 15.12 C +ANISOU 123 C PRO A 32 1852 1578 2312 -122 -1028 396 C +ATOM 124 O PRO A 32 -9.906 19.527 -2.091 1.00 17.98 O +ANISOU 124 O PRO A 32 2099 1665 3066 -161 -977 28 O +ATOM 125 CB PRO A 32 -9.494 22.178 -0.287 1.00 16.13 C +ANISOU 125 CB PRO A 32 1937 1600 2588 -449 -1406 239 C +ATOM 126 CG PRO A 32 -9.899 23.610 -0.065 1.00 17.20 C +ANISOU 126 CG PRO A 32 1719 1826 2989 -200 -948 225 C +ATOM 127 CD PRO A 32 -11.432 23.532 -0.055 1.00 15.96 C +ANISOU 127 CD PRO A 32 1743 1545 2777 -552 -1099 -268 C +ATOM 128 N LEU A 33 -11.503 19.630 -0.497 1.00 14.16 N +ANISOU 128 N LEU A 33 1915 1290 2174 -271 -979 276 N +ATOM 129 CA LEU A 33 -11.629 18.164 -0.491 1.00 13.71 C +ANISOU 129 CA LEU A 33 1711 1414 2082 -517 -791 161 C +ATOM 130 C LEU A 33 -12.263 17.635 -1.782 1.00 13.85 C +ANISOU 130 C LEU A 33 1784 1416 2061 -122 -976 240 C +ATOM 131 O LEU A 33 -11.824 16.615 -2.303 1.00 15.54 O +ANISOU 131 O LEU A 33 1737 1665 2499 255 -1029 10 O +ATOM 132 CB LEU A 33 -12.380 17.667 0.750 1.00 15.11 C +ANISOU 132 CB LEU A 33 2073 1711 1957 -291 -689 444 C +ATOM 133 CG LEU A 33 -11.661 17.938 2.072 1.00 16.99 C +ANISOU 133 CG LEU A 33 2367 2149 1939 -247 -782 576 C +ATOM 134 CD1 LEU A 33 -12.505 17.536 3.265 1.00 19.43 C +ANISOU 134 CD1 LEU A 33 2345 2353 2681 -697 -340 630 C +ATOM 135 CD2 LEU A 33 -10.289 17.279 2.121 1.00 19.80 C +ANISOU 135 CD2 LEU A 33 2364 2755 2402 -149 -1062 685 C +ATOM 136 N LEU A 34 -13.298 18.296 -2.281 1.00 13.66 N +ANISOU 136 N LEU A 34 1632 1634 1924 -361 -1154 212 N +ATOM 137 CA LEU A 34 -13.846 17.888 -3.563 1.00 12.93 C +ANISOU 137 CA LEU A 34 1544 1714 1653 -21 -876 108 C +ATOM 138 C LEU A 34 -12.805 18.134 -4.651 1.00 13.48 C +ANISOU 138 C LEU A 34 1558 1570 1992 -24 -789 169 C +ATOM 139 O LEU A 34 -12.677 17.308 -5.588 1.00 15.20 O +ANISOU 139 O LEU A 34 1795 1697 2282 150 -909 -9 O +ATOM 140 CB LEU A 34 -15.147 18.621 -3.880 1.00 13.60 C +ANISOU 140 CB LEU A 34 1946 1479 1742 162 -1097 227 C +ATOM 141 CG LEU A 34 -15.764 18.385 -5.268 1.00 13.33 C +ANISOU 141 CG LEU A 34 1680 1486 1896 55 -997 -316 C +ATOM 142 CD1 LEU A 34 -16.003 16.885 -5.555 1.00 14.65 C +ANISOU 142 CD1 LEU A 34 1914 1564 2088 117 -737 -679 C +ATOM 143 CD2 LEU A 34 -17.067 19.162 -5.437 1.00 16.29 C +ANISOU 143 CD2 LEU A 34 1920 1803 2465 397 -889 -370 C +ATOM 144 N LEU A 35 -12.069 19.248 -4.547 1.00 13.80 N +ANISOU 144 N LEU A 35 1435 1689 2119 -103 -567 363 N +ATOM 145 CA LEU A 35 -11.061 19.550 -5.571 1.00 15.22 C +ANISOU 145 CA LEU A 35 1952 1599 2230 -314 -248 256 C +ATOM 146 C LEU A 35 -10.012 18.424 -5.630 1.00 18.01 C +ANISOU 146 C LEU A 35 2072 2112 2656 -33 -718 335 C +ATOM 147 O LEU A 35 -9.621 18.009 -6.726 1.00 18.84 O +ANISOU 147 O LEU A 35 2100 2397 2659 -395 -300 149 O +ATOM 148 CB LEU A 35 -10.383 20.916 -5.327 1.00 19.62 C +ANISOU 148 CB LEU A 35 2628 2088 2737 -945 -457 154 C +ATOM 149 CG LEU A 35 -9.569 21.462 -6.513 1.00 22.63 C +ANISOU 149 CG LEU A 35 3041 2287 3271 -659 -305 572 C +ATOM 150 CD1 LEU A 35 -10.470 21.765 -7.700 1.00 25.75 C +ANISOU 150 CD1 LEU A 35 3898 2736 3148 -501 -527 692 C +ATOM 151 CD2 LEU A 35 -8.857 22.738 -6.081 1.00 27.69 C +ANISOU 151 CD2 LEU A 35 3380 2700 4438 -1402 -848 1134 C +ATOM 152 N LYS A 36 -9.569 17.940 -4.466 1.00 16.70 N +ANISOU 152 N LYS A 36 1767 2022 2555 -77 -745 375 N +ATOM 153 CA LYS A 36 -8.657 16.773 -4.362 1.00 18.01 C +ANISOU 153 CA LYS A 36 1842 2309 2689 238 -900 206 C +ATOM 154 C LYS A 36 -9.157 15.574 -5.186 1.00 18.81 C +ANISOU 154 C LYS A 36 1797 2192 3155 180 -493 90 C +ATOM 155 O LYS A 36 -8.394 14.946 -5.935 1.00 20.68 O +ANISOU 155 O LYS A 36 2061 3126 2670 638 -557 132 O +ATOM 156 CB LYS A 36 -8.448 16.347 -2.887 1.00 18.31 C +ANISOU 156 CB LYS A 36 1599 2682 2675 389 -979 318 C +ATOM 157 CG LYS A 36 -7.600 15.068 -2.671 1.00 27.44 C +ANISOU 157 CG LYS A 36 3756 3162 3505 1229 -1132 820 C +ATOM 158 CD LYS A 36 -7.466 14.629 -1.183 1.00 26.47 C +ANISOU 158 CD LYS A 36 4085 2674 3297 1594 -1208 432 C +ATOM 159 CE LYS A 36 -6.844 13.245 -0.985 1.00 39.07 C +ANISOU 159 CE LYS A 36 5595 4054 5196 2852 -1446 -288 C +ATOM 160 NZ LYS A 36 -5.442 13.217 -1.459 1.00 52.34 N +ANISOU 160 NZ LYS A 36 6093 6940 6853 3225 139 262 N +ATOM 161 N LEU A 37 -10.435 15.248 -4.996 1.00 16.56 N +ANISOU 161 N LEU A 37 1776 2153 2362 234 -667 87 N +ATOM 162 CA ALEU A 37 -11.074 14.181 -5.722 0.80 16.88 C +ANISOU 162 CA ALEU A 37 1831 1934 2648 -14 -398 235 C +ATOM 163 CA BLEU A 37 -11.110 14.185 -5.745 0.20 16.62 C +ANISOU 163 CA BLEU A 37 1799 1959 2556 176 -500 142 C +ATOM 164 C LEU A 37 -10.994 14.398 -7.244 1.00 15.74 C +ANISOU 164 C LEU A 37 1624 1776 2579 410 -458 276 C +ATOM 165 O LEU A 37 -10.601 13.485 -8.004 1.00 19.03 O +ANISOU 165 O LEU A 37 2199 1965 3065 613 -96 124 O +ATOM 166 CB ALEU A 37 -12.517 14.074 -5.247 0.80 18.13 C +ANISOU 166 CB ALEU A 37 1970 2398 2519 334 -185 597 C +ATOM 167 CB BLEU A 37 -12.597 14.123 -5.389 0.20 17.04 C +ANISOU 167 CB BLEU A 37 1866 2205 2402 261 -397 220 C +ATOM 168 CG ALEU A 37 -13.303 12.825 -5.576 0.80 17.96 C +ANISOU 168 CG ALEU A 37 2511 1716 2595 809 -188 178 C +ATOM 169 CG BLEU A 37 -13.025 13.500 -4.072 0.20 17.30 C +ANISOU 169 CG BLEU A 37 2257 1997 2317 341 -390 115 C +ATOM 170 CD1ALEU A 37 -14.388 12.587 -4.514 0.80 21.75 C +ANISOU 170 CD1ALEU A 37 2453 2454 3353 -180 88 444 C +ATOM 171 CD1BLEU A 37 -14.530 13.288 -4.075 0.20 16.85 C +ANISOU 171 CD1BLEU A 37 2218 2209 1975 447 69 -123 C +ATOM 172 CD2ALEU A 37 -13.907 12.941 -6.965 0.80 18.88 C +ANISOU 172 CD2ALEU A 37 1945 2082 3143 855 -633 -19 C +ATOM 173 CD2BLEU A 37 -12.296 12.182 -3.898 0.20 17.49 C +ANISOU 173 CD2BLEU A 37 1993 1921 2730 271 -543 -70 C +ATOM 174 N LEU A 38 -11.366 15.583 -7.699 1.00 14.85 N +ANISOU 174 N LEU A 38 1563 1690 2387 118 -377 288 N +ATOM 175 CA LEU A 38 -11.334 15.871 -9.128 1.00 15.76 C +ANISOU 175 CA LEU A 38 1852 1779 2357 625 -83 332 C +ATOM 176 C LEU A 38 -9.913 15.810 -9.692 1.00 17.86 C +ANISOU 176 C LEU A 38 1736 2358 2690 269 -238 464 C +ATOM 177 O LEU A 38 -9.712 15.249 -10.771 1.00 19.22 O +ANISOU 177 O LEU A 38 2253 2563 2487 376 -146 245 O +ATOM 178 CB LEU A 38 -11.965 17.248 -9.413 1.00 17.36 C +ANISOU 178 CB LEU A 38 2438 1870 2286 779 -170 323 C +ATOM 179 CG LEU A 38 -13.399 17.427 -8.890 1.00 19.92 C +ANISOU 179 CG LEU A 38 2042 1979 3544 591 -579 -8 C +ATOM 180 CD1 LEU A 38 -13.897 18.828 -9.233 1.00 21.77 C +ANISOU 180 CD1 LEU A 38 2939 2158 3172 522 -1159 404 C +ATOM 181 CD2 LEU A 38 -14.403 16.354 -9.330 1.00 21.39 C +ANISOU 181 CD2 LEU A 38 2251 2679 3194 261 -545 -43 C +ATOM 182 N LYS A 39 -8.941 16.369 -8.958 1.00 17.27 N +ANISOU 182 N LYS A 39 1581 2306 2674 156 -43 373 N +ATOM 183 CA ALYS A 39 -7.535 16.370 -9.384 0.80 20.32 C +ANISOU 183 CA ALYS A 39 1440 2772 3506 495 -174 261 C +ATOM 184 CA BLYS A 39 -7.542 16.372 -9.384 0.20 19.02 C +ANISOU 184 CA BLYS A 39 1580 2574 3072 188 -14 383 C +ATOM 185 C LYS A 39 -7.005 14.948 -9.502 1.00 20.77 C +ANISOU 185 C LYS A 39 1914 2602 3373 333 143 357 C +ATOM 186 O LYS A 39 -6.138 14.674 -10.339 1.00 22.91 O +ANISOU 186 O LYS A 39 2043 3079 3581 432 259 210 O +ATOM 187 CB ALYS A 39 -6.664 17.118 -8.365 0.80 27.22 C +ANISOU 187 CB ALYS A 39 2285 3428 4626 -285 -185 -341 C +ATOM 188 CB BLYS A 39 -6.683 17.175 -8.399 0.20 22.26 C +ANISOU 188 CB BLYS A 39 1994 3168 3295 -426 -18 381 C +ATOM 189 CG ALYS A 39 -6.998 18.593 -8.197 0.80 35.34 C +ANISOU 189 CG ALYS A 39 3461 3801 6167 -15 679 -1196 C +ATOM 190 CG BLYS A 39 -6.841 18.687 -8.504 0.20 16.46 C +ANISOU 190 CG BLYS A 39 1947 2806 1499 -1308 515 897 C +ATOM 191 CD ALYS A 39 -6.122 19.481 -9.058 0.80 46.73 C +ANISOU 191 CD ALYS A 39 4811 5447 7497 -572 819 -31 C +ATOM 192 CD BLYS A 39 -5.676 19.332 -9.235 0.20 24.97 C +ANISOU 192 CD BLYS A 39 2380 5093 2014 -1995 41 1153 C +ATOM 193 CE ALYS A 39 -6.504 20.944 -8.911 0.80 50.95 C +ANISOU 193 CE ALYS A 39 5353 5818 8184 -311 -309 -1517 C +ATOM 194 CE BLYS A 39 -5.863 20.837 -9.350 0.20 32.23 C +ANISOU 194 CE BLYS A 39 3810 4860 3573 -391 -551 914 C +ATOM 195 NZ ALYS A 39 -5.934 21.539 -7.673 0.80 45.67 N +ANISOU 195 NZ ALYS A 39 4217 5853 7283 2315 -1128 -828 N +ATOM 196 NZ BLYS A 39 -7.231 21.202 -9.814 0.20 27.20 N +ANISOU 196 NZ BLYS A 39 4825 2698 2808 -90 -1194 1608 N +ATOM 197 N SER A 40 -7.510 14.045 -8.650 1.00 20.31 N +ANISOU 197 N SER A 40 2050 2341 3323 140 -514 432 N +ATOM 198 CA SER A 40 -7.035 12.661 -8.650 1.00 20.43 C +ANISOU 198 CA SER A 40 2383 2350 3031 379 222 402 C +ATOM 199 C SER A 40 -7.358 11.925 -9.970 1.00 21.56 C +ANISOU 199 C SER A 40 2307 2703 3182 991 99 -57 C +ATOM 200 O SER A 40 -6.747 10.895 -10.276 1.00 26.02 O +ANISOU 200 O SER A 40 2461 3246 4179 1445 863 112 O +ATOM 201 CB SER A 40 -7.577 11.860 -7.450 1.00 21.29 C +ANISOU 201 CB SER A 40 2237 2438 3414 635 92 1087 C +ATOM 202 OG SER A 40 -8.902 11.408 -7.660 1.00 22.40 O +ANISOU 202 OG SER A 40 2618 2577 3313 534 -4 481 O +ATOM 203 N VAL A 41 -8.320 12.450 -10.729 1.00 20.85 N +ANISOU 203 N VAL A 41 2360 3066 2493 256 72 457 N +ATOM 204 CA VAL A 41 -8.633 11.890 -12.054 1.00 22.32 C +ANISOU 204 CA VAL A 41 2144 3185 3151 63 -201 -32 C +ATOM 205 C VAL A 41 -8.337 12.882 -13.186 1.00 25.13 C +ANISOU 205 C VAL A 41 2499 3581 3466 305 -201 220 C +ATOM 206 O VAL A 41 -8.910 12.814 -14.273 1.00 29.35 O +ANISOU 206 O VAL A 41 3330 4044 3775 -2 -700 -206 O +ATOM 207 CB VAL A 41 -10.066 11.325 -12.141 1.00 20.54 C +ANISOU 207 CB VAL A 41 2322 2422 3058 -163 330 -92 C +ATOM 208 CG1 VAL A 41 -10.173 10.030 -11.340 1.00 21.52 C +ANISOU 208 CG1 VAL A 41 1818 2620 3736 -204 654 265 C +ATOM 209 CG2 VAL A 41 -11.087 12.354 -11.688 1.00 23.39 C +ANISOU 209 CG2 VAL A 41 1924 3372 3588 126 -3 -196 C +ATOM 210 N GLY A 42 -7.410 13.792 -12.921 1.00 22.53 N +ANISOU 210 N GLY A 42 2489 2776 3293 465 444 101 N +ATOM 211 CA GLY A 42 -6.778 14.567 -13.977 1.00 26.78 C +ANISOU 211 CA GLY A 42 3437 3456 3280 434 182 797 C +ATOM 212 C GLY A 42 -7.330 15.966 -14.175 1.00 28.06 C +ANISOU 212 C GLY A 42 2937 3446 4275 442 983 535 C +ATOM 213 O GLY A 42 -6.894 16.683 -15.081 1.00 29.01 O +ANISOU 213 O GLY A 42 3508 4133 3378 649 1013 604 O +ATOM 214 N ALA A 43 -8.254 16.396 -13.328 1.00 22.63 N +ANISOU 214 N ALA A 43 2120 3158 3320 131 393 766 N +ATOM 215 CA ALA A 43 -8.718 17.778 -13.451 1.00 26.76 C +ANISOU 215 CA ALA A 43 2737 3161 4268 193 656 756 C +ATOM 216 C ALA A 43 -7.592 18.747 -13.070 1.00 31.60 C +ANISOU 216 C ALA A 43 3305 4195 4504 -193 -148 985 C +ATOM 217 O ALA A 43 -6.753 18.439 -12.215 1.00 34.55 O +ANISOU 217 O ALA A 43 3433 5076 4615 -664 -544 732 O +ATOM 218 CB ALA A 43 -9.971 18.001 -12.625 1.00 24.13 C +ANISOU 218 CB ALA A 43 2563 2942 3662 357 421 895 C +ATOM 219 N GLN A 44 -7.539 19.900 -13.722 1.00 29.02 N +ANISOU 219 N GLN A 44 2507 3463 5054 275 1068 469 N +ATOM 220 CA GLN A 44 -6.370 20.783 -13.560 1.00 36.59 C +ANISOU 220 CA GLN A 44 3982 4096 5821 -670 1429 -273 C +ATOM 221 C GLN A 44 -6.634 22.220 -13.106 1.00 38.50 C +ANISOU 221 C GLN A 44 3455 3678 7494 213 323 287 C +ATOM 222 O GLN A 44 -5.698 23.010 -12.995 1.00 49.02 O +ANISOU 222 O GLN A 44 3009 5657 9957 -236 145 408 O +ATOM 223 CB GLN A 44 -5.545 20.792 -14.848 1.00 41.85 C +ANISOU 223 CB GLN A 44 4356 5111 6431 -2 2037 642 C +ATOM 224 CG GLN A 44 -4.759 19.512 -15.064 1.00 44.13 C +ANISOU 224 CG GLN A 44 4714 5952 6101 306 1851 -252 C +ATOM 225 CD GLN A 44 -3.743 19.664 -16.160 1.00 36.81 C +ANISOU 225 CD GLN A 44 4008 5994 3984 978 487 -134 C +ATOM 226 OE1 GLN A 44 -4.096 19.773 -17.343 1.00 50.75 O +ANISOU 226 OE1 GLN A 44 7044 8120 4117 -126 -15 1012 O +ATOM 227 NE2 GLN A 44 -2.467 19.680 -15.781 1.00 47.46 N +ANISOU 227 NE2 GLN A 44 4246 6085 7699 -356 17 -545 N +ATOM 228 N LYS A 45 -7.889 22.552 -12.833 1.00 33.17 N +ANISOU 228 N LYS A 45 3195 4080 5327 -271 588 410 N +ATOM 229 CA LYS A 45 -8.305 23.942 -12.588 1.00 29.68 C +ANISOU 229 CA LYS A 45 2900 3965 4409 -455 301 758 C +ATOM 230 C LYS A 45 -8.889 24.065 -11.184 1.00 28.42 C +ANISOU 230 C LYS A 45 2999 3346 4452 -210 230 786 C +ATOM 231 O LYS A 45 -9.115 23.053 -10.528 1.00 24.06 O +ANISOU 231 O LYS A 45 2254 3049 3838 78 -356 762 O +ATOM 232 CB LYS A 45 -9.380 24.342 -13.600 1.00 36.24 C +ANISOU 232 CB LYS A 45 4538 4767 4461 -115 295 2205 C +ATOM 233 CG LYS A 45 -8.996 24.188 -15.069 1.00 47.61 C +ANISOU 233 CG LYS A 45 6243 6848 4998 1015 -54 566 C +ATOM 234 CD LYS A 45 -10.193 24.471 -15.969 1.00 47.58 C +ANISOU 234 CD LYS A 45 7347 7074 3656 241 -824 -640 C +ATOM 235 CE LYS A 45 -11.296 23.436 -15.778 1.00 54.67 C +ANISOU 235 CE LYS A 45 7562 7231 5976 165 -901 -494 C +ATOM 236 NZ LYS A 45 -12.624 23.910 -16.255 1.00 53.09 N +ANISOU 236 NZ LYS A 45 6576 4874 8722 -368 692 905 N +ATOM 237 N ASP A 46 -9.156 25.298 -10.746 1.00 22.74 N +ANISOU 237 N ASP A 46 1776 3451 3410 -403 -182 290 N +ATOM 238 CA ASP A 46 -9.816 25.549 -9.469 1.00 22.20 C +ANISOU 238 CA ASP A 46 2133 2657 3643 -225 -304 331 C +ATOM 239 C ASP A 46 -11.323 25.763 -9.624 1.00 20.26 C +ANISOU 239 C ASP A 46 2049 2865 2781 -447 -609 1194 C +ATOM 240 O ASP A 46 -12.053 25.720 -8.632 1.00 21.43 O +ANISOU 240 O ASP A 46 2362 2615 3162 -634 -373 693 O +ATOM 241 CB ASP A 46 -9.221 26.800 -8.802 1.00 27.42 C +ANISOU 241 CB ASP A 46 2734 3165 4518 -862 -834 210 C +ATOM 242 CG ASP A 46 -7.786 26.592 -8.336 1.00 34.01 C +ANISOU 242 CG ASP A 46 2796 3390 6734 -470 -997 586 C +ATOM 243 OD1 ASP A 46 -7.444 25.474 -7.892 1.00 33.09 O +ANISOU 243 OD1 ASP A 46 2422 4588 5560 -202 -960 1587 O +ATOM 244 OD2 ASP A 46 -6.996 27.557 -8.405 1.00 43.70 O +ANISOU 244 OD2 ASP A 46 2779 5750 8072 -1718 -842 543 O +ATOM 245 N THR A 47 -11.781 26.071 -10.845 1.00 17.73 N +ANISOU 245 N THR A 47 1742 2510 2484 -311 -506 399 N +ATOM 246 CA THR A 47 -13.216 26.316 -11.078 1.00 15.76 C +ANISOU 246 CA THR A 47 1837 1811 2339 -328 -658 380 C +ATOM 247 C THR A 47 -13.683 25.483 -12.252 1.00 17.16 C +ANISOU 247 C THR A 47 2073 2099 2347 -338 -509 369 C +ATOM 248 O THR A 47 -12.905 25.234 -13.162 1.00 20.22 O +ANISOU 248 O THR A 47 2311 2482 2888 -44 129 712 O +ATOM 249 CB THR A 47 -13.522 27.801 -11.344 1.00 18.68 C +ANISOU 249 CB THR A 47 2611 1950 2534 -221 -480 689 C +ATOM 250 OG1 THR A 47 -12.814 28.268 -12.496 1.00 23.64 O +ANISOU 250 OG1 THR A 47 2992 2440 3548 -763 -141 946 O +ATOM 251 CG2 THR A 47 -13.095 28.643 -10.135 1.00 23.97 C +ANISOU 251 CG2 THR A 47 3695 2819 2591 -355 -900 357 C +ATOM 252 N TYR A 48 -14.947 25.046 -12.211 1.00 16.31 N +ANISOU 252 N TYR A 48 2019 1892 2283 -427 -676 537 N +ATOM 253 CA TYR A 48 -15.509 24.142 -13.216 1.00 15.12 C +ANISOU 253 CA TYR A 48 1959 1816 1969 133 -724 419 C +ATOM 254 C TYR A 48 -16.980 24.461 -13.392 1.00 14.39 C +ANISOU 254 C TYR A 48 1876 1721 1869 189 -464 463 C +ATOM 255 O TYR A 48 -17.618 24.954 -12.456 1.00 17.68 O +ANISOU 255 O TYR A 48 2049 2311 2356 206 -388 100 O +ATOM 256 CB TYR A 48 -15.462 22.705 -12.691 1.00 17.93 C +ANISOU 256 CB TYR A 48 2177 1753 2881 112 -524 375 C +ATOM 257 CG TYR A 48 -14.063 22.223 -12.426 1.00 22.80 C +ANISOU 257 CG TYR A 48 2134 2752 3777 21 -673 441 C +ATOM 258 CD1 TYR A 48 -13.458 22.436 -11.166 1.00 21.36 C +ANISOU 258 CD1 TYR A 48 2250 2451 3414 -255 -501 981 C +ATOM 259 CD2 TYR A 48 -13.331 21.600 -13.410 1.00 26.80 C +ANISOU 259 CD2 TYR A 48 1981 3103 5099 -4 -311 -116 C +ATOM 260 CE1 TYR A 48 -12.182 22.003 -10.899 1.00 24.00 C +ANISOU 260 CE1 TYR A 48 2320 2684 4114 -104 -444 505 C +ATOM 261 CE2 TYR A 48 -12.018 21.160 -13.152 1.00 27.16 C +ANISOU 261 CE2 TYR A 48 2566 3311 4440 697 -803 311 C +ATOM 262 CZ TYR A 48 -11.459 21.369 -11.909 1.00 25.51 C +ANISOU 262 CZ TYR A 48 2449 2766 4478 56 -283 82 C +ATOM 263 OH TYR A 48 -10.179 20.943 -11.641 1.00 28.46 O +ANISOU 263 OH TYR A 48 2644 4340 3829 503 -197 483 O +ATOM 264 N THR A 49 -17.571 24.105 -14.525 1.00 14.72 N +ANISOU 264 N THR A 49 1839 1746 2006 162 -531 486 N +ATOM 265 CA THR A 49 -19.054 24.098 -14.542 1.00 14.61 C +ANISOU 265 CA THR A 49 1886 2042 1623 245 -312 484 C +ATOM 266 C THR A 49 -19.559 22.870 -13.769 1.00 14.96 C +ANISOU 266 C THR A 49 2029 1780 1872 184 -301 331 C +ATOM 267 O THR A 49 -18.813 21.881 -13.564 1.00 14.38 O +ANISOU 267 O THR A 49 1777 1828 1858 228 -429 68 O +ATOM 268 CB THR A 49 -19.609 24.015 -15.960 1.00 17.21 C +ANISOU 268 CB THR A 49 2829 2054 1655 101 -511 274 C +ATOM 269 OG1 THR A 49 -19.184 22.772 -16.543 1.00 16.36 O +ANISOU 269 OG1 THR A 49 2464 2055 1697 70 -237 317 O +ATOM 270 CG2 THR A 49 -19.132 25.216 -16.808 1.00 21.46 C +ANISOU 270 CG2 THR A 49 2948 2580 2622 -113 -424 841 C +ATOM 271 N MET A 50 -20.827 22.893 -13.358 1.00 14.11 N +ANISOU 271 N MET A 50 2028 1920 1413 148 -364 342 N +ATOM 272 CA MET A 50 -21.381 21.712 -12.683 1.00 13.67 C +ANISOU 272 CA MET A 50 1897 1723 1571 9 -221 155 C +ATOM 273 C MET A 50 -21.291 20.468 -13.595 1.00 13.47 C +ANISOU 273 C MET A 50 1948 1716 1450 21 -341 193 C +ATOM 274 O MET A 50 -20.989 19.353 -13.127 1.00 14.75 O +ANISOU 274 O MET A 50 1818 1992 1793 323 -204 300 O +ATOM 275 CB MET A 50 -22.835 21.950 -12.203 1.00 15.30 C +ANISOU 275 CB MET A 50 1864 2217 1729 519 -489 -293 C +ATOM 276 CG MET A 50 -22.918 22.827 -10.954 1.00 18.31 C +ANISOU 276 CG MET A 50 2820 2453 1683 199 -544 -322 C +ATOM 277 SD MET A 50 -22.226 22.016 -9.473 1.00 19.54 S +ANISOU 277 SD MET A 50 2305 3052 2067 -629 -613 277 S +ATOM 278 CE MET A 50 -23.601 20.990 -8.957 1.00 17.17 C +ANISOU 278 CE MET A 50 1958 2319 2245 -435 -652 127 C +ATOM 279 N LYS A 51 -21.540 20.653 -14.902 1.00 14.69 N +ANISOU 279 N LYS A 51 2101 2075 1404 98 -272 -40 N +ATOM 280 CA ALYS A 51 -21.438 19.548 -15.839 0.50 15.78 C +ANISOU 280 CA ALYS A 51 2495 2051 1447 303 -191 -24 C +ATOM 281 CA BLYS A 51 -21.430 19.558 -15.856 0.50 16.14 C +ANISOU 281 CA BLYS A 51 2525 2066 1538 332 -203 -69 C +ATOM 282 C LYS A 51 -20.030 18.919 -15.810 1.00 16.15 C +ANISOU 282 C LYS A 51 2310 1996 1830 72 -569 36 C +ATOM 283 O LYS A 51 -19.888 17.686 -15.854 1.00 15.66 O +ANISOU 283 O LYS A 51 2458 1912 1578 119 0 276 O +ATOM 284 CB ALYS A 51 -21.839 19.987 -17.256 0.50 17.96 C +ANISOU 284 CB ALYS A 51 3086 2147 1590 413 -463 11 C +ATOM 285 CB BLYS A 51 -21.786 20.025 -17.279 0.50 19.05 C +ANISOU 285 CB BLYS A 51 3297 2220 1719 407 -590 -23 C +ATOM 286 CG ALYS A 51 -22.098 18.826 -18.209 0.50 20.04 C +ANISOU 286 CG ALYS A 51 3239 2627 1746 179 -534 -207 C +ATOM 287 CG BLYS A 51 -21.732 18.915 -18.324 0.50 22.99 C +ANISOU 287 CG BLYS A 51 3790 2664 2278 463 -561 -473 C +ATOM 288 CD ALYS A 51 -22.588 19.321 -19.564 0.50 25.57 C +ANISOU 288 CD ALYS A 51 3420 4305 1989 119 -1138 -130 C +ATOM 289 CD BLYS A 51 -22.379 19.328 -19.639 0.50 30.62 C +ANISOU 289 CD BLYS A 51 4244 4696 2692 -28 -1334 -320 C +ATOM 290 CE ALYS A 51 -22.693 18.168 -20.541 0.50 31.73 C +ANISOU 290 CE ALYS A 51 4733 4145 3178 265 -1168 -447 C +ATOM 291 CE BLYS A 51 -22.190 18.235 -20.677 0.50 39.41 C +ANISOU 291 CE BLYS A 51 5773 5032 4167 20 -1349 -1117 C +ATOM 292 NZ ALYS A 51 -23.177 18.626 -21.871 0.50 31.08 N +ANISOU 292 NZ ALYS A 51 4608 3958 3241 726 -1177 -399 N +ATOM 293 NZ BLYS A 51 -22.549 16.895 -20.131 0.50 40.66 N +ANISOU 293 NZ BLYS A 51 5817 4672 4959 160 -569 -1281 N +ATOM 294 N GLU A 52 -18.987 19.758 -15.755 1.00 14.80 N +ANISOU 294 N GLU A 52 1974 2066 1583 182 -212 71 N +ATOM 295 CA GLU A 52 -17.600 19.258 -15.634 1.00 16.60 C +ANISOU 295 CA GLU A 52 2109 2284 1915 119 -18 383 C +ATOM 296 C GLU A 52 -17.376 18.531 -14.312 1.00 14.00 C +ANISOU 296 C GLU A 52 1902 1900 1517 120 -160 -48 C +ATOM 297 O GLU A 52 -16.707 17.493 -14.271 1.00 14.90 O +ANISOU 297 O GLU A 52 2244 1903 1511 218 -126 429 O +ATOM 298 CB GLU A 52 -16.591 20.404 -15.804 1.00 16.15 C +ANISOU 298 CB GLU A 52 2405 2137 1591 -23 287 413 C +ATOM 299 CG GLU A 52 -16.484 20.903 -17.229 1.00 20.95 C +ANISOU 299 CG GLU A 52 3135 2901 1924 156 582 919 C +ATOM 300 CD GLU A 52 -15.692 22.195 -17.368 1.00 26.18 C +ANISOU 300 CD GLU A 52 4001 3361 2585 -498 970 347 C +ATOM 301 OE1 GLU A 52 -15.714 23.017 -16.441 1.00 23.79 O +ANISOU 301 OE1 GLU A 52 3655 3024 2360 -556 449 599 O +ATOM 302 OE2 GLU A 52 -15.068 22.409 -18.436 0.50 27.20 O +ANISOU 302 OE2 GLU A 52 4138 3198 2995 -1739 1307 450 O +ATOM 303 N VAL A 53 -17.917 19.079 -13.210 1.00 13.20 N +ANISOU 303 N VAL A 53 1951 1894 1169 29 -207 182 N +ATOM 304 CA VAL A 53 -17.792 18.386 -11.901 1.00 12.43 C +ANISOU 304 CA VAL A 53 1826 1557 1339 152 -193 259 C +ATOM 305 C VAL A 53 -18.381 16.981 -11.992 1.00 12.23 C +ANISOU 305 C VAL A 53 1700 1714 1233 159 -353 141 C +ATOM 306 O VAL A 53 -17.753 16.006 -11.556 1.00 13.36 O +ANISOU 306 O VAL A 53 1866 1557 1650 248 -288 160 O +ATOM 307 CB VAL A 53 -18.443 19.191 -10.752 1.00 12.85 C +ANISOU 307 CB VAL A 53 2051 1348 1481 45 -96 314 C +ATOM 308 CG1 VAL A 53 -18.390 18.383 -9.469 1.00 13.15 C +ANISOU 308 CG1 VAL A 53 1605 1885 1505 182 -370 521 C +ATOM 309 CG2 VAL A 53 -17.706 20.522 -10.552 1.00 13.54 C +ANISOU 309 CG2 VAL A 53 1692 1489 1963 33 -124 -81 C +ATOM 310 N LEU A 54 -19.561 16.862 -12.612 1.00 12.17 N +ANISOU 310 N LEU A 54 1592 1691 1341 -144 -318 79 N +ATOM 311 CA LEU A 54 -20.178 15.536 -12.774 1.00 14.04 C +ANISOU 311 CA LEU A 54 1779 1835 1721 -60 -571 -263 C +ATOM 312 C LEU A 54 -19.363 14.610 -13.652 1.00 15.18 C +ANISOU 312 C LEU A 54 1971 1911 1885 91 -147 132 C +ATOM 313 O LEU A 54 -19.278 13.405 -13.373 1.00 16.02 O +ANISOU 313 O LEU A 54 2276 1731 2078 368 -572 -14 O +ATOM 314 CB LEU A 54 -21.606 15.693 -13.328 1.00 13.90 C +ANISOU 314 CB LEU A 54 1752 1856 1670 118 -519 221 C +ATOM 315 CG LEU A 54 -22.710 15.828 -12.277 1.00 14.83 C +ANISOU 315 CG LEU A 54 2440 1458 1733 -285 -30 -34 C +ATOM 316 CD1 LEU A 54 -22.787 14.614 -11.326 1.00 14.86 C +ANISOU 316 CD1 LEU A 54 2395 1606 1643 -167 -473 49 C +ATOM 317 CD2 LEU A 54 -22.487 17.114 -11.509 1.00 15.87 C +ANISOU 317 CD2 LEU A 54 2592 1486 1950 -163 16 -106 C +ATOM 318 N PHE A 55 -18.751 15.157 -14.712 1.00 15.46 N +ANISOU 318 N PHE A 55 2096 1931 1847 113 -132 145 N +ATOM 319 CA PHE A 55 -17.897 14.332 -15.573 1.00 15.52 C +ANISOU 319 CA PHE A 55 1828 2242 1826 111 -23 283 C +ATOM 320 C PHE A 55 -16.752 13.736 -14.759 1.00 16.22 C +ANISOU 320 C PHE A 55 2347 2005 1811 246 -344 -47 C +ATOM 321 O PHE A 55 -16.466 12.540 -14.820 1.00 18.75 O +ANISOU 321 O PHE A 55 2960 2153 2010 691 -353 234 O +ATOM 322 CB PHE A 55 -17.333 15.181 -16.707 1.00 17.06 C +ANISOU 322 CB PHE A 55 2378 2438 1666 263 181 196 C +ATOM 323 CG PHE A 55 -16.285 14.473 -17.502 1.00 21.18 C +ANISOU 323 CG PHE A 55 2933 3096 2017 847 222 -44 C +ATOM 324 CD1 PHE A 55 -16.650 13.545 -18.469 1.00 26.81 C +ANISOU 324 CD1 PHE A 55 4191 3190 2803 1062 -4 -261 C +ATOM 325 CD2 PHE A 55 -14.929 14.681 -17.228 1.00 22.41 C +ANISOU 325 CD2 PHE A 55 2958 3211 2345 594 259 457 C +ATOM 326 CE1 PHE A 55 -15.678 12.859 -19.186 1.00 29.79 C +ANISOU 326 CE1 PHE A 55 4320 3688 3310 1197 416 -295 C +ATOM 327 CE2 PHE A 55 -13.957 13.997 -17.933 1.00 27.78 C +ANISOU 327 CE2 PHE A 55 3775 3297 3483 857 72 -428 C +ATOM 328 CZ PHE A 55 -14.335 13.094 -18.922 1.00 32.42 C +ANISOU 328 CZ PHE A 55 4527 4330 3459 984 756 -1250 C +ATOM 329 N TYR A 56 -16.064 14.580 -14.009 1.00 14.56 N +ANISOU 329 N TYR A 56 2028 2087 1415 223 -338 10 N +ATOM 330 CA TYR A 56 -14.920 14.060 -13.228 1.00 16.29 C +ANISOU 330 CA TYR A 56 2032 2074 2083 1 -461 183 C +ATOM 331 C TYR A 56 -15.326 13.149 -12.075 1.00 16.29 C +ANISOU 331 C TYR A 56 2257 1846 2084 392 -163 51 C +ATOM 332 O TYR A 56 -14.615 12.185 -11.784 1.00 15.02 O +ANISOU 332 O TYR A 56 1969 1535 2201 219 141 185 O +ATOM 333 CB TYR A 56 -14.063 15.216 -12.730 1.00 16.34 C +ANISOU 333 CB TYR A 56 2024 2124 2061 -256 -124 251 C +ATOM 334 CG TYR A 56 -13.246 15.850 -13.847 1.00 19.35 C +ANISOU 334 CG TYR A 56 2283 2439 2630 -105 409 448 C +ATOM 335 CD1 TYR A 56 -12.200 15.154 -14.457 1.00 23.33 C +ANISOU 335 CD1 TYR A 56 2833 2864 3165 348 433 113 C +ATOM 336 CD2 TYR A 56 -13.506 17.160 -14.268 1.00 18.97 C +ANISOU 336 CD2 TYR A 56 2538 2251 2416 -404 71 391 C +ATOM 337 CE1 TYR A 56 -11.438 15.739 -15.466 1.00 26.23 C +ANISOU 337 CE1 TYR A 56 2883 3579 3502 179 553 109 C +ATOM 338 CE2 TYR A 56 -12.759 17.741 -15.284 1.00 24.67 C +ANISOU 338 CE2 TYR A 56 3133 3561 2680 -149 785 302 C +ATOM 339 CZ TYR A 56 -11.732 17.026 -15.874 1.00 28.60 C +ANISOU 339 CZ TYR A 56 3486 3827 3551 -169 1143 576 C +ATOM 340 OH TYR A 56 -11.005 17.631 -16.859 1.00 33.24 O +ANISOU 340 OH TYR A 56 3913 4345 4370 -276 1504 1118 O +ATOM 341 N LEU A 57 -16.448 13.446 -11.411 1.00 13.76 N +ANISOU 341 N LEU A 57 1938 1701 1590 71 -292 78 N +ATOM 342 CA ALEU A 57 -16.943 12.529 -10.365 0.80 13.84 C +ANISOU 342 CA ALEU A 57 2047 1508 1702 288 43 -12 C +ATOM 343 CA BLEU A 57 -16.987 12.565 -10.385 0.20 13.71 C +ANISOU 343 CA BLEU A 57 1990 1575 1642 256 -93 21 C +ATOM 344 C LEU A 57 -17.272 11.197 -11.002 1.00 13.42 C +ANISOU 344 C LEU A 57 1963 1569 1567 472 -176 -21 C +ATOM 345 O LEU A 57 -16.991 10.183 -10.428 1.00 13.47 O +ANISOU 345 O LEU A 57 1899 1587 1629 403 -104 49 O +ATOM 346 CB ALEU A 57 -18.195 13.045 -9.658 0.80 16.48 C +ANISOU 346 CB ALEU A 57 1849 2163 2247 217 27 -291 C +ATOM 347 CB BLEU A 57 -18.270 13.164 -9.812 0.20 14.24 C +ANISOU 347 CB BLEU A 57 1966 1703 1741 196 -57 -48 C +ATOM 348 CG ALEU A 57 -18.016 14.137 -8.621 0.80 14.32 C +ANISOU 348 CG ALEU A 57 1431 2086 1920 222 -246 -67 C +ATOM 349 CG BLEU A 57 -18.811 12.546 -8.530 0.20 13.28 C +ANISOU 349 CG BLEU A 57 2009 1306 1731 331 -128 17 C +ATOM 350 CD1ALEU A 57 -19.365 14.744 -8.217 0.80 16.63 C +ANISOU 350 CD1ALEU A 57 2066 1964 2289 578 250 -93 C +ATOM 351 CD1BLEU A 57 -17.685 12.314 -7.544 0.20 14.50 C +ANISOU 351 CD1BLEU A 57 2148 1524 1834 214 -274 26 C +ATOM 352 CD2ALEU A 57 -17.309 13.555 -7.407 0.80 19.69 C +ANISOU 352 CD2ALEU A 57 3185 2661 1635 391 -667 -112 C +ATOM 353 CD2BLEU A 57 -19.873 13.451 -7.923 0.20 12.64 C +ANISOU 353 CD2BLEU A 57 1739 1213 1850 278 -404 -92 C +ATOM 354 N GLY A 58 -17.881 11.195 -12.188 1.00 14.25 N +ANISOU 354 N GLY A 58 2266 1724 1421 390 -272 -38 N +ATOM 355 CA GLY A 58 -18.175 9.933 -12.879 1.00 15.10 C +ANISOU 355 CA GLY A 58 2042 2026 1668 226 -169 -245 C +ATOM 356 C GLY A 58 -16.906 9.176 -13.180 1.00 15.09 C +ANISOU 356 C GLY A 58 2244 1684 1805 327 -76 -64 C +ATOM 357 O GLY A 58 -16.863 7.962 -12.974 1.00 15.91 O +ANISOU 357 O GLY A 58 2495 1585 1964 415 -407 -203 O +ATOM 358 N GLN A 59 -15.856 9.885 -13.623 1.00 15.83 N +ANISOU 358 N GLN A 59 2242 1907 1865 391 -62 -56 N +ATOM 359 CA AGLN A 59 -14.567 9.246 -13.901 0.50 16.61 C +ANISOU 359 CA AGLN A 59 2078 2114 2118 276 22 175 C +ATOM 360 CA BGLN A 59 -14.541 9.277 -13.898 0.50 16.52 C +ANISOU 360 CA BGLN A 59 2074 2063 2140 265 -8 154 C +ATOM 361 C GLN A 59 -13.975 8.634 -12.629 1.00 16.89 C +ANISOU 361 C GLN A 59 2344 1956 2115 591 -58 -76 C +ATOM 362 O GLN A 59 -13.421 7.525 -12.653 1.00 17.86 O +ANISOU 362 O GLN A 59 2601 1885 2298 612 396 142 O +ATOM 363 CB AGLN A 59 -13.613 10.255 -14.540 0.50 22.46 C +ANISOU 363 CB AGLN A 59 2962 2877 2694 -112 623 422 C +ATOM 364 CB BGLN A 59 -13.555 10.336 -14.412 0.50 21.05 C +ANISOU 364 CB BGLN A 59 2646 2601 2749 -85 479 215 C +ATOM 365 CG AGLN A 59 -13.878 10.422 -16.025 0.50 27.61 C +ANISOU 365 CG AGLN A 59 3793 4098 2599 -358 861 -7 C +ATOM 366 CG BGLN A 59 -13.759 10.778 -15.854 0.50 25.33 C +ANISOU 366 CG BGLN A 59 3674 3139 2809 -125 146 -7 C +ATOM 367 CD AGLN A 59 -13.336 9.251 -16.816 0.50 33.08 C +ANISOU 367 CD AGLN A 59 4991 4549 3028 42 594 -633 C +ATOM 368 CD BGLN A 59 -12.461 11.274 -16.472 0.50 30.06 C +ANISOU 368 CD BGLN A 59 4121 3463 3838 -527 706 -262 C +ATOM 369 OE1AGLN A 59 -12.158 9.222 -17.163 0.50 39.26 O +ANISOU 369 OE1AGLN A 59 5124 5515 4276 235 781 -1721 O +ATOM 370 OE1BGLN A 59 -11.679 11.971 -15.820 0.50 35.52 O +ANISOU 370 OE1BGLN A 59 5006 4224 4265 -500 -331 -352 O +ATOM 371 NE2AGLN A 59 -14.189 8.274 -17.096 0.50 35.18 N +ANISOU 371 NE2AGLN A 59 4693 5743 2930 -347 886 -641 N +ATOM 372 NE2BGLN A 59 -12.219 10.908 -17.728 0.50 31.89 N +ANISOU 372 NE2BGLN A 59 4543 3794 3777 400 -1077 -1160 N +ATOM 373 N TYR A 60 -14.111 9.349 -11.517 1.00 16.08 N +ANISOU 373 N TYR A 60 2232 2124 1753 306 63 51 N +ATOM 374 CA TYR A 60 -13.626 8.859 -10.232 1.00 14.67 C +ANISOU 374 CA TYR A 60 1945 1832 1794 259 -207 -170 C +ATOM 375 C TYR A 60 -14.342 7.568 -9.804 1.00 16.46 C +ANISOU 375 C TYR A 60 1931 1926 2396 471 -272 136 C +ATOM 376 O TYR A 60 -13.697 6.572 -9.389 1.00 16.83 O +ANISOU 376 O TYR A 60 2274 2089 2031 587 -375 205 O +ATOM 377 CB TYR A 60 -13.809 9.966 -9.211 1.00 14.37 C +ANISOU 377 CB TYR A 60 2128 1362 1969 397 -482 -92 C +ATOM 378 CG TYR A 60 -13.387 9.609 -7.799 1.00 15.32 C +ANISOU 378 CG TYR A 60 1927 1769 2122 549 -480 183 C +ATOM 379 CD1 TYR A 60 -12.071 9.792 -7.383 1.00 15.79 C +ANISOU 379 CD1 TYR A 60 1841 1867 2290 430 -428 156 C +ATOM 380 CD2 TYR A 60 -14.314 9.102 -6.870 1.00 16.61 C +ANISOU 380 CD2 TYR A 60 2314 1742 2255 594 -310 266 C +ATOM 381 CE1 TYR A 60 -11.672 9.489 -6.075 1.00 16.07 C +ANISOU 381 CE1 TYR A 60 1954 1810 2339 154 -661 181 C +ATOM 382 CE2 TYR A 60 -13.924 8.789 -5.567 1.00 17.80 C +ANISOU 382 CE2 TYR A 60 2249 2078 2433 401 -767 172 C +ATOM 383 CZ TYR A 60 -12.595 8.982 -5.180 1.00 17.14 C +ANISOU 383 CZ TYR A 60 2164 1858 2491 151 -575 -16 C +ATOM 384 OH TYR A 60 -12.199 8.670 -3.896 1.00 19.94 O +ANISOU 384 OH TYR A 60 2251 2282 3040 28 -1042 260 O +ATOM 385 N ILE A 61 -15.674 7.569 -9.915 1.00 14.03 N +ANISOU 385 N ILE A 61 1777 1593 1957 175 -98 29 N +ATOM 386 CA ILE A 61 -16.456 6.356 -9.618 1.00 12.84 C +ANISOU 386 CA ILE A 61 1641 1440 1796 285 -317 9 C +ATOM 387 C ILE A 61 -16.059 5.165 -10.485 1.00 15.20 C +ANISOU 387 C ILE A 61 2313 1563 1899 405 -125 -11 C +ATOM 388 O ILE A 61 -15.937 4.027 -10.009 1.00 18.05 O +ANISOU 388 O ILE A 61 2814 1904 2137 800 -235 256 O +ATOM 389 CB ILE A 61 -17.969 6.691 -9.788 1.00 13.26 C +ANISOU 389 CB ILE A 61 1530 1412 2096 316 -242 -12 C +ATOM 390 CG1 ILE A 61 -18.430 7.590 -8.639 1.00 15.01 C +ANISOU 390 CG1 ILE A 61 2017 1437 2247 617 -196 29 C +ATOM 391 CG2 ILE A 61 -18.851 5.432 -9.960 1.00 14.62 C +ANISOU 391 CG2 ILE A 61 2056 1471 2028 90 -241 185 C +ATOM 392 CD1 ILE A 61 -19.742 8.318 -8.929 1.00 14.67 C +ANISOU 392 CD1 ILE A 61 1773 1715 2087 648 204 201 C +ATOM 393 N MET A 62 -15.818 5.407 -11.764 1.00 16.49 N +ANISOU 393 N MET A 62 2466 1834 1964 274 -33 -308 N +ATOM 394 CA MET A 62 -15.409 4.306 -12.649 1.00 16.93 C +ANISOU 394 CA MET A 62 2717 1896 1817 785 203 -91 C +ATOM 395 C MET A 62 -14.000 3.792 -12.353 1.00 19.20 C +ANISOU 395 C MET A 62 2879 1753 2664 928 101 -189 C +ATOM 396 O MET A 62 -13.768 2.577 -12.364 1.00 24.13 O +ANISOU 396 O MET A 62 3851 1797 3518 1257 -183 -228 O +ATOM 397 CB MET A 62 -15.533 4.726 -14.136 1.00 18.01 C +ANISOU 397 CB MET A 62 2898 2115 1828 955 -102 -109 C +ATOM 398 CG MET A 62 -16.932 5.133 -14.589 1.00 19.50 C +ANISOU 398 CG MET A 62 2893 1847 2666 363 -573 161 C +ATOM 399 SD MET A 62 -18.184 3.903 -14.223 1.00 22.09 S +ANISOU 399 SD MET A 62 3149 2313 2930 189 4 -46 S +ATOM 400 CE MET A 62 -17.679 2.577 -15.326 1.00 27.05 C +ANISOU 400 CE MET A 62 4079 2362 3835 -901 -616 -1322 C +ATOM 401 N THR A 63 -13.067 4.717 -12.093 1.00 20.09 N +ANISOU 401 N THR A 63 2461 2210 2961 791 117 29 N +ATOM 402 CA THR A 63 -11.663 4.405 -11.797 1.00 23.17 C +ANISOU 402 CA THR A 63 2864 2302 3635 1066 -275 453 C +ATOM 403 C THR A 63 -11.544 3.603 -10.508 1.00 23.62 C +ANISOU 403 C THR A 63 3217 2441 3313 1198 -106 278 C +ATOM 404 O THR A 63 -10.791 2.621 -10.455 1.00 27.28 O +ANISOU 404 O THR A 63 3342 2841 4181 1525 43 550 O +ATOM 405 CB THR A 63 -10.803 5.704 -11.716 1.00 25.07 C +ANISOU 405 CB THR A 63 2627 3021 3877 483 -254 360 C +ATOM 406 OG1 THR A 63 -10.809 6.342 -12.998 1.00 29.29 O +ANISOU 406 OG1 THR A 63 3226 3413 4489 -41 174 668 O +ATOM 407 CG2 THR A 63 -9.360 5.423 -11.332 1.00 32.50 C +ANISOU 407 CG2 THR A 63 2955 3674 5718 995 -330 758 C +ATOM 408 N LYS A 64 -12.298 3.998 -9.484 1.00 22.91 N +ANISOU 408 N LYS A 64 2718 2620 3365 632 33 397 N +ATOM 409 CA LYS A 64 -12.250 3.308 -8.193 1.00 22.69 C +ANISOU 409 CA LYS A 64 2380 2604 3634 919 -535 474 C +ATOM 410 C LYS A 64 -13.254 2.155 -8.085 1.00 24.11 C +ANISOU 410 C LYS A 64 3415 2239 3507 629 -428 161 C +ATOM 411 O LYS A 64 -13.351 1.489 -7.033 1.00 23.48 O +ANISOU 411 O LYS A 64 3096 2146 3677 853 -300 427 O +ATOM 412 CB LYS A 64 -12.454 4.288 -7.044 1.00 24.23 C +ANISOU 412 CB LYS A 64 2669 2629 3905 482 -786 213 C +ATOM 413 CG LYS A 64 -11.319 5.278 -6.906 1.00 27.70 C +ANISOU 413 CG LYS A 64 3098 3089 4336 -65 -391 22 C +ATOM 414 CD LYS A 64 -11.369 5.913 -5.546 1.00 30.06 C +ANISOU 414 CD LYS A 64 3760 3493 4168 452 -1117 -35 C +ATOM 415 CE LYS A 64 -10.432 5.268 -4.549 1.00 30.71 C +ANISOU 415 CE LYS A 64 2683 3977 5008 1332 -890 -508 C +ATOM 416 NZ LYS A 64 -10.377 6.203 -3.384 1.00 30.44 N +ANISOU 416 NZ LYS A 64 2493 3995 5078 520 -929 -638 N +ATOM 417 N ARG A 65 -13.981 1.919 -9.168 1.00 20.28 N +ANISOU 417 N ARG A 65 2992 1980 2733 848 94 -3 N +ATOM 418 CA ARG A 65 -14.936 0.795 -9.240 1.00 23.07 C +ANISOU 418 CA ARG A 65 3978 1821 2963 826 45 -149 C +ATOM 419 C ARG A 65 -15.971 0.846 -8.101 1.00 21.86 C +ANISOU 419 C ARG A 65 3539 1844 2921 1158 -206 184 C +ATOM 420 O ARG A 65 -16.259 -0.158 -7.454 1.00 22.60 O +ANISOU 420 O ARG A 65 3718 1970 2897 767 -105 90 O +ATOM 421 CB ARG A 65 -14.188 -0.565 -9.310 1.00 26.46 C +ANISOU 421 CB ARG A 65 3971 2171 3910 1174 384 149 C +ATOM 422 CG ARG A 65 -13.310 -0.709 -10.552 1.00 31.62 C +ANISOU 422 CG ARG A 65 4639 2847 4526 1238 772 -690 C +ATOM 423 CD ARG A 65 -13.025 -2.172 -10.861 0.50 34.39 C +ANISOU 423 CD ARG A 65 5260 3522 4284 2382 883 -1168 C +ATOM 424 NE ARG A 65 -11.811 -2.646 -10.210 0.50 48.05 N +ANISOU 424 NE ARG A 65 5670 5163 7422 1175 -1062 -782 N +ATOM 425 CZ ARG A 65 -11.370 -3.899 -10.287 0.50 52.27 C +ANISOU 425 CZ ARG A 65 7271 5508 7080 1789 -703 -1399 C +ATOM 426 NH1 ARG A 65 -12.053 -4.800 -10.981 0.50 53.80 N +ANISOU 426 NH1 ARG A 65 6732 4659 9047 723 -622 -362 N +ATOM 427 NH2 ARG A 65 -10.253 -4.252 -9.669 0.50 57.07 N +ANISOU 427 NH2 ARG A 65 7837 5859 7987 420 -2027 -733 N +ATOM 428 N LEU A 66 -16.568 2.026 -7.899 1.00 19.58 N +ANISOU 428 N LEU A 66 3316 1729 2393 859 -282 -39 N +ATOM 429 CA LEU A 66 -17.564 2.217 -6.852 1.00 15.96 C +ANISOU 429 CA LEU A 66 2596 1459 2009 525 -547 -341 C +ATOM 430 C LEU A 66 -18.941 1.808 -7.371 1.00 17.95 C +ANISOU 430 C LEU A 66 2784 2281 1754 543 -954 -39 C +ATOM 431 O LEU A 66 -19.939 1.920 -6.663 1.00 21.37 O +ANISOU 431 O LEU A 66 2939 2809 2369 -176 -674 -980 O +ATOM 432 CB LEU A 66 -17.580 3.691 -6.334 1.00 16.49 C +ANISOU 432 CB LEU A 66 2614 1161 2487 32 -766 25 C +ATOM 433 CG LEU A 66 -16.209 4.221 -5.858 1.00 16.00 C +ANISOU 433 CG LEU A 66 2440 1496 2141 214 -885 88 C +ATOM 434 CD1 LEU A 66 -16.339 5.660 -5.345 1.00 18.27 C +ANISOU 434 CD1 LEU A 66 2952 1914 2074 446 -479 -351 C +ATOM 435 CD2 LEU A 66 -15.674 3.276 -4.787 1.00 17.28 C +ANISOU 435 CD2 LEU A 66 2456 1631 2475 641 -914 72 C +ATOM 436 N TYR A 67 -18.996 1.400 -8.641 1.00 20.02 N +ANISOU 436 N TYR A 67 3142 2087 2375 659 -1008 -912 N +ATOM 437 CA TYR A 67 -20.209 0.799 -9.227 1.00 20.32 C +ANISOU 437 CA TYR A 67 3519 1937 2263 -104 -671 -478 C +ATOM 438 C TYR A 67 -20.465 -0.660 -8.739 1.00 21.05 C +ANISOU 438 C TYR A 67 3371 1913 2714 516 -686 -211 C +ATOM 439 O TYR A 67 -19.565 -1.302 -8.178 1.00 26.68 O +ANISOU 439 O TYR A 67 4605 2252 3279 1189 -1428 -832 O +ATOM 440 CB TYR A 67 -20.136 0.891 -10.757 1.00 20.67 C +ANISOU 440 CB TYR A 67 3548 1916 2390 663 -798 -199 C +ATOM 441 CG TYR A 67 -18.927 0.229 -11.390 1.00 22.02 C +ANISOU 441 CG TYR A 67 3598 2236 2531 794 -1081 -177 C +ATOM 442 CD1 TYR A 67 -18.889 -1.158 -11.571 1.00 22.55 C +ANISOU 442 CD1 TYR A 67 3062 2226 3279 1180 -1155 -750 C +ATOM 443 CD2 TYR A 67 -17.853 0.977 -11.841 1.00 24.01 C +ANISOU 443 CD2 TYR A 67 3562 2523 3037 730 -450 2 C +ATOM 444 CE1 TYR A 67 -17.804 -1.777 -12.158 1.00 26.76 C +ANISOU 444 CE1 TYR A 67 3576 3301 3290 631 -822 -1900 C +ATOM 445 CE2 TYR A 67 -16.749 0.355 -12.443 1.00 31.02 C +ANISOU 445 CE2 TYR A 67 4358 2974 4454 689 148 -719 C +ATOM 446 CZ TYR A 67 -16.744 -1.021 -12.604 1.00 26.64 C +ANISOU 446 CZ TYR A 67 3962 2826 3333 1129 -376 -471 C +ATOM 447 OH TYR A 67 -15.684 -1.695 -13.181 1.00 33.31 O +ANISOU 447 OH TYR A 67 4358 4941 3355 1515 -567 -968 O +ATOM 448 N ASP A 68 -21.681 -1.176 -8.977 1.00 23.68 N +ANISOU 448 N ASP A 68 4166 1926 2902 115 -975 -441 N +ATOM 449 CA ASP A 68 -22.049 -2.567 -8.656 1.00 26.24 C +ANISOU 449 CA ASP A 68 4985 2171 2813 -127 -609 -260 C +ATOM 450 C ASP A 68 -22.565 -3.220 -9.909 1.00 21.14 C +ANISOU 450 C ASP A 68 4024 1487 2519 487 -390 -315 C +ATOM 451 O ASP A 68 -23.507 -2.711 -10.473 1.00 23.87 O +ANISOU 451 O ASP A 68 3685 2105 3279 701 -648 -803 O +ATOM 452 CB ASP A 68 -23.194 -2.643 -7.624 1.00 27.35 C +ANISOU 452 CB ASP A 68 5136 2699 2556 612 -643 -34 C +ATOM 453 CG ASP A 68 -23.656 -4.095 -7.381 1.00 28.91 C +ANISOU 453 CG ASP A 68 4378 3680 2924 167 -172 1498 C +ATOM 454 OD1 ASP A 68 -22.810 -4.920 -6.969 0.50 29.10 O +ANISOU 454 OD1 ASP A 68 6490 2135 2429 1394 1085 1135 O +ATOM 455 OD2 ASP A 68 -24.843 -4.431 -7.596 0.50 31.73 O +ANISOU 455 OD2 ASP A 68 5345 2281 4428 -910 -1486 554 O +ATOM 456 N ALA A 69 -21.973 -4.334 -10.356 1.00 20.92 N +ANISOU 456 N ALA A 69 4309 1504 2136 325 -208 -234 N +ATOM 457 CA ALA A 69 -22.403 -4.944 -11.636 1.00 22.12 C +ANISOU 457 CA ALA A 69 4228 1638 2537 587 -232 -843 C +ATOM 458 C ALA A 69 -23.878 -5.384 -11.702 1.00 24.70 C +ANISOU 458 C ALA A 69 4382 2144 2858 600 -430 -374 C +ATOM 459 O ALA A 69 -24.543 -5.262 -12.775 1.00 29.92 O +ANISOU 459 O ALA A 69 5421 2941 3004 -389 -770 -462 O +ATOM 460 CB ALA A 69 -21.497 -6.123 -11.976 1.00 27.17 C +ANISOU 460 CB ALA A 69 4281 2370 3671 913 323 -1072 C +ATOM 461 N ALA A 70 -24.398 -5.900 -10.584 1.00 26.18 N +ANISOU 461 N ALA A 70 4615 1549 3783 77 737 -867 N +ATOM 462 CA ALA A 70 -25.763 -6.488 -10.600 1.00 23.96 C +ANISOU 462 CA ALA A 70 4699 2160 2245 -41 -730 -170 C +ATOM 463 C ALA A 70 -26.882 -5.450 -10.470 1.00 24.64 C +ANISOU 463 C ALA A 70 4618 2860 1883 226 -639 -169 C +ATOM 464 O ALA A 70 -27.924 -5.597 -11.104 1.00 31.81 O +ANISOU 464 O ALA A 70 5009 3496 3582 528 -977 -1001 O +ATOM 465 CB ALA A 70 -25.901 -7.587 -9.548 1.00 28.26 C +ANISOU 465 CB ALA A 70 4670 2837 3230 -57 241 504 C +ATOM 466 N GLN A 71 -26.648 -4.397 -9.679 1.00 27.52 N +ANISOU 466 N GLN A 71 5126 1746 3584 -307 1023 -144 N +ATOM 467 CA GLN A 71 -27.596 -3.313 -9.530 1.00 23.82 C +ANISOU 467 CA GLN A 71 3924 2035 3090 -391 -363 -180 C +ATOM 468 C GLN A 71 -26.814 -2.001 -9.779 1.00 21.82 C +ANISOU 468 C GLN A 71 4194 1619 2478 51 -312 293 C +ATOM 469 O GLN A 71 -26.339 -1.283 -8.854 1.00 21.85 O +ANISOU 469 O GLN A 71 3917 2424 1960 143 -185 272 O +ATOM 470 CB GLN A 71 -28.248 -3.349 -8.142 1.00 34.25 C +ANISOU 470 CB GLN A 71 5823 3563 3626 560 606 -461 C +ATOM 471 CG GLN A 71 -29.470 -2.440 -7.994 1.00 27.96 C +ANISOU 471 CG GLN A 71 4805 2594 3224 -446 593 -199 C +ATOM 472 CD GLN A 71 -30.317 -2.816 -6.787 1.00 36.46 C +ANISOU 472 CD GLN A 71 4884 5458 3509 -1300 -11 1338 C +ATOM 473 OE1 GLN A 71 -31.549 -2.749 -6.838 1.00 39.21 O +ANISOU 473 OE1 GLN A 71 4770 5783 4345 -292 -139 -29 O +ATOM 474 NE2 GLN A 71 -29.660 -3.206 -5.694 1.00 27.43 N +ANISOU 474 NE2 GLN A 71 3592 2979 3850 -892 -538 -149 N +ATOM 475 N GLN A 72 -26.679 -1.712 -11.064 1.00 18.12 N +ANISOU 475 N GLN A 72 3284 1375 2224 -29 -210 -122 N +ATOM 476 CA GLN A 72 -25.805 -0.675 -11.530 1.00 20.42 C +ANISOU 476 CA GLN A 72 4170 1572 2015 -461 -165 -435 C +ATOM 477 C GLN A 72 -26.204 0.718 -11.130 1.00 18.32 C +ANISOU 477 C GLN A 72 3137 1653 2168 -236 -474 -528 C +ATOM 478 O GLN A 72 -25.353 1.620 -11.166 1.00 18.89 O +ANISOU 478 O GLN A 72 3258 1789 2129 -378 -712 -220 O +ATOM 479 CB GLN A 72 -25.806 -0.725 -13.052 1.00 20.88 C +ANISOU 479 CB GLN A 72 3650 2365 1915 -214 -290 -757 C +ATOM 480 CG GLN A 72 -24.930 -1.823 -13.491 1.00 27.09 C +ANISOU 480 CG GLN A 72 4169 4069 2055 542 -238 -1078 C +ATOM 481 CD GLN A 72 -24.862 -1.876 -14.986 1.00 20.01 C +ANISOU 481 CD GLN A 72 2677 3060 1867 408 -744 -451 C +ATOM 482 OE1 GLN A 72 -24.706 -0.850 -15.682 1.00 18.80 O +ANISOU 482 OE1 GLN A 72 2202 2994 1945 683 -620 -561 O +ATOM 483 NE2 GLN A 72 -24.962 -3.062 -15.480 1.00 20.84 N +ANISOU 483 NE2 GLN A 72 2295 2931 2692 -263 -177 -371 N +ATOM 484 N HIS A 73 -27.467 0.898 -10.733 1.00 17.02 N +ANISOU 484 N HIS A 73 3161 1443 1862 -158 -859 -393 N +ATOM 485 CA HIS A 73 -27.967 2.238 -10.419 1.00 16.27 C +ANISOU 485 CA HIS A 73 2652 1468 2059 -46 -935 -206 C +ATOM 486 C HIS A 73 -27.558 2.762 -9.071 1.00 14.57 C +ANISOU 486 C HIS A 73 2313 1411 1811 -132 -746 82 C +ATOM 487 O HIS A 73 -27.869 3.912 -8.748 1.00 15.51 O +ANISOU 487 O HIS A 73 2853 1455 1583 -137 -796 3 O +ATOM 488 CB HIS A 73 -29.494 2.352 -10.637 1.00 20.23 C +ANISOU 488 CB HIS A 73 2566 2588 2532 -326 -986 -1 C +ATOM 489 CG HIS A 73 -30.325 1.984 -9.435 1.00 18.02 C +ANISOU 489 CG HIS A 73 2817 1764 2263 -623 -967 -586 C +ATOM 490 ND1 HIS A 73 -30.735 0.701 -9.187 1.00 22.87 N +ANISOU 490 ND1 HIS A 73 3261 2164 3264 -968 -239 -350 N +ATOM 491 CD2 HIS A 73 -30.843 2.773 -8.405 1.00 16.23 C +ANISOU 491 CD2 HIS A 73 2448 1822 1894 -349 -640 -13 C +ATOM 492 CE1 HIS A 73 -31.467 0.686 -8.050 1.00 25.89 C +ANISOU 492 CE1 HIS A 73 3474 2759 3602 -874 -102 -262 C +ATOM 493 NE2 HIS A 73 -31.521 1.954 -7.567 1.00 23.21 N +ANISOU 493 NE2 HIS A 73 3345 2201 3271 -821 -304 300 N +ATOM 494 N ILE A 74 -26.862 1.941 -8.274 1.00 13.68 N +ANISOU 494 N ILE A 74 2425 1315 1456 -85 -778 -49 N +ATOM 495 CA ILE A 74 -26.412 2.372 -6.920 1.00 13.35 C +ANISOU 495 CA ILE A 74 2553 941 1578 19 -726 -234 C +ATOM 496 C ILE A 74 -24.900 2.455 -6.887 1.00 14.64 C +ANISOU 496 C ILE A 74 2657 1338 1565 78 -613 -47 C +ATOM 497 O ILE A 74 -24.221 1.482 -7.265 1.00 16.13 O +ANISOU 497 O ILE A 74 2519 1609 1998 207 -519 -303 O +ATOM 498 CB ILE A 74 -26.932 1.435 -5.803 1.00 14.77 C +ANISOU 498 CB ILE A 74 2485 1520 1607 -93 -774 -118 C +ATOM 499 CG1 ILE A 74 -28.469 1.325 -5.878 1.00 17.92 C +ANISOU 499 CG1 ILE A 74 2570 1774 2464 -126 -164 131 C +ATOM 500 CG2 ILE A 74 -26.420 1.885 -4.443 1.00 14.95 C +ANISOU 500 CG2 ILE A 74 2842 1342 1494 132 -694 -74 C +ATOM 501 CD1 ILE A 74 -29.062 0.269 -4.976 1.00 24.06 C +ANISOU 501 CD1 ILE A 74 3516 2583 3040 -1192 -292 381 C +ATOM 502 N VAL A 75 -24.381 3.606 -6.462 1.00 14.11 N +ANISOU 502 N VAL A 75 2287 1496 1577 -138 -576 233 N +ATOM 503 CA VAL A 75 -22.950 3.793 -6.231 1.00 13.66 C +ANISOU 503 CA VAL A 75 2165 1437 1586 -30 -588 47 C +ATOM 504 C VAL A 75 -22.680 3.519 -4.756 1.00 13.20 C +ANISOU 504 C VAL A 75 2053 1251 1709 379 -561 -61 C +ATOM 505 O VAL A 75 -23.403 4.006 -3.892 1.00 15.17 O +ANISOU 505 O VAL A 75 2698 1562 1503 325 -443 -101 O +ATOM 506 CB VAL A 75 -22.533 5.239 -6.620 1.00 15.13 C +ANISOU 506 CB VAL A 75 2349 1846 1554 -417 -529 246 C +ATOM 507 CG1 VAL A 75 -21.123 5.558 -6.112 1.00 15.29 C +ANISOU 507 CG1 VAL A 75 2219 1739 1851 -234 -687 208 C +ATOM 508 CG2 VAL A 75 -22.655 5.435 -8.141 1.00 18.88 C +ANISOU 508 CG2 VAL A 75 2591 3076 1504 -163 -784 177 C +ATOM 509 N TYR A 76 -21.638 2.734 -4.494 1.00 11.99 N +ANISOU 509 N TYR A 76 2133 1031 1391 302 -983 69 N +ATOM 510 CA TYR A 76 -21.221 2.385 -3.156 1.00 11.81 C +ANISOU 510 CA TYR A 76 2292 972 1220 114 -825 -49 C +ATOM 511 C TYR A 76 -19.930 3.112 -2.789 1.00 14.91 C +ANISOU 511 C TYR A 76 2316 1416 1933 23 -613 -69 C +ATOM 512 O TYR A 76 -18.860 2.823 -3.347 1.00 18.23 O +ANISOU 512 O TYR A 76 2400 2319 2204 -18 -341 -452 O +ATOM 513 CB TYR A 76 -21.059 0.852 -3.093 1.00 15.72 C +ANISOU 513 CB TYR A 76 2802 979 2190 131 -865 130 C +ATOM 514 CG TYR A 76 -22.388 0.162 -3.225 1.00 16.34 C +ANISOU 514 CG TYR A 76 2921 1369 1919 77 -694 -161 C +ATOM 515 CD1 TYR A 76 -22.895 -0.212 -4.484 1.00 17.33 C +ANISOU 515 CD1 TYR A 76 2951 1246 2386 194 -1111 -334 C +ATOM 516 CD2 TYR A 76 -23.188 -0.039 -2.099 1.00 17.43 C +ANISOU 516 CD2 TYR A 76 2808 1571 2243 268 -586 253 C +ATOM 517 CE1 TYR A 76 -24.127 -0.820 -4.585 1.00 18.07 C +ANISOU 517 CE1 TYR A 76 2918 1221 2727 175 -491 -183 C +ATOM 518 CE2 TYR A 76 -24.432 -0.639 -2.198 1.00 18.56 C +ANISOU 518 CE2 TYR A 76 3010 1598 2443 100 -514 -270 C +ATOM 519 CZ TYR A 76 -24.912 -0.981 -3.440 1.00 17.70 C +ANISOU 519 CZ TYR A 76 3260 984 2478 -375 -675 -125 C +ATOM 520 OH TYR A 76 -26.158 -1.565 -3.537 1.00 20.37 O +ANISOU 520 OH TYR A 76 3070 1413 3255 -198 -1464 -368 O +ATOM 521 N CYS A 77 -20.028 4.040 -1.841 1.00 15.82 N +ANISOU 521 N CYS A 77 2615 1517 1878 -184 -714 -94 N +ATOM 522 CA CYS A 77 -18.931 4.955 -1.533 1.00 14.86 C +ANISOU 522 CA CYS A 77 2364 1342 1937 4 -575 -221 C +ATOM 523 C CYS A 77 -18.537 4.960 -0.053 1.00 16.39 C +ANISOU 523 C CYS A 77 2710 1456 2060 -54 -694 -73 C +ATOM 524 O CYS A 77 -17.921 5.914 0.414 1.00 18.38 O +ANISOU 524 O CYS A 77 2971 1266 2744 126 -1071 -304 O +ATOM 525 CB CYS A 77 -19.265 6.370 -2.027 1.00 15.87 C +ANISOU 525 CB CYS A 77 2293 1598 2138 -134 -694 167 C +ATOM 526 SG CYS A 77 -20.893 6.969 -1.532 1.00 16.49 S +ANISOU 526 SG CYS A 77 2678 1571 2014 -122 -466 93 S +ATOM 527 N SER A 78 -18.871 3.893 0.677 1.00 17.72 N +ANISOU 527 N SER A 78 3275 1428 2026 113 -673 16 N +ATOM 528 CA ASER A 78 -18.465 3.780 2.073 0.50 20.01 C +ANISOU 528 CA ASER A 78 3718 1592 2290 -310 -1099 228 C +ATOM 529 CA BSER A 78 -18.467 3.737 2.079 0.50 20.73 C +ANISOU 529 CA BSER A 78 3733 1783 2359 -345 -1170 341 C +ATOM 530 C SER A 78 -16.934 3.634 2.138 1.00 22.15 C +ANISOU 530 C SER A 78 3850 1847 2717 -20 -1014 278 C +ATOM 531 O SER A 78 -16.298 3.086 1.211 1.00 27.74 O +ANISOU 531 O SER A 78 3617 2681 4241 642 -574 245 O +ATOM 532 CB ASER A 78 -19.146 2.573 2.703 0.50 22.23 C +ANISOU 532 CB ASER A 78 4755 2262 1427 -763 -1300 520 C +ATOM 533 CB BSER A 78 -19.141 2.494 2.702 0.50 26.68 C +ANISOU 533 CB BSER A 78 4930 2324 2880 -976 -1477 787 C +ATOM 534 OG ASER A 78 -18.658 1.427 2.060 0.50 23.99 O +ANISOU 534 OG ASER A 78 3852 1605 3657 -672 -954 862 O +ATOM 535 OG BSER A 78 -19.215 2.576 4.123 0.50 29.11 O +ANISOU 535 OG BSER A 78 4423 3762 2872 -848 -1838 1860 O +ATOM 536 N ASN A 79 -16.324 4.145 3.198 1.00 24.79 N +ANISOU 536 N ASN A 79 4076 2690 2651 -445 -1348 1043 N +ATOM 537 CA ASN A 79 -14.856 4.069 3.314 1.00 26.09 C +ANISOU 537 CA ASN A 79 4008 2834 3069 127 -1118 626 C +ATOM 538 C ASN A 79 -14.099 4.685 2.136 1.00 27.24 C +ANISOU 538 C ASN A 79 4063 2723 3562 455 -1022 1190 C +ATOM 539 O ASN A 79 -13.000 4.238 1.774 1.00 28.62 O +ANISOU 539 O ASN A 79 4290 2735 3850 450 -681 1801 O +ATOM 540 CB ASN A 79 -14.418 2.617 3.499 1.00 29.79 C +ANISOU 540 CB ASN A 79 4166 3091 4059 152 -878 1557 C +ATOM 541 CG ASN A 79 -14.801 2.069 4.856 1.00 32.67 C +ANISOU 541 CG ASN A 79 4718 4131 3565 609 -640 1133 C +ATOM 542 OD1 ASN A 79 -14.939 0.869 5.023 1.00 38.45 O +ANISOU 542 OD1 ASN A 79 5561 4109 4939 328 372 670 O +ATOM 543 ND2 ASN A 79 -14.983 2.957 5.834 1.00 38.42 N +ANISOU 543 ND2 ASN A 79 6733 4376 3487 -1012 -863 682 N +ATOM 544 N ASP A 80 -14.712 5.690 1.519 1.00 22.58 N +ANISOU 544 N ASP A 80 3879 1766 2932 278 -562 692 N +ATOM 545 CA ASP A 80 -14.081 6.437 0.446 1.00 19.78 C +ANISOU 545 CA ASP A 80 2797 1937 2779 -53 -1014 688 C +ATOM 546 C ASP A 80 -14.285 7.924 0.710 1.00 19.05 C +ANISOU 546 C ASP A 80 2710 2127 2399 257 -917 508 C +ATOM 547 O ASP A 80 -15.301 8.324 1.308 1.00 18.93 O +ANISOU 547 O ASP A 80 2662 1808 2721 333 -996 533 O +ATOM 548 CB ASP A 80 -14.696 6.041 -0.896 1.00 20.37 C +ANISOU 548 CB ASP A 80 2918 2198 2623 -87 -528 212 C +ATOM 549 CG ASP A 80 -13.897 6.577 -2.080 1.00 21.34 C +ANISOU 549 CG ASP A 80 3104 2099 2904 260 -332 319 C +ATOM 550 OD1 ASP A 80 -13.058 5.828 -2.599 1.00 23.73 O +ANISOU 550 OD1 ASP A 80 2848 2586 3582 614 31 658 O +ATOM 551 OD2 ASP A 80 -14.088 7.747 -2.454 1.00 21.93 O +ANISOU 551 OD2 ASP A 80 3127 2293 2910 265 -783 654 O +ATOM 552 N LEU A 81 -13.326 8.746 0.289 1.00 19.99 N +ANISOU 552 N LEU A 81 2877 1754 2964 39 -1287 653 N +ATOM 553 CA LEU A 81 -13.499 10.214 0.393 1.00 20.55 C +ANISOU 553 CA LEU A 81 2669 1805 3332 -12 -1143 656 C +ATOM 554 C LEU A 81 -14.852 10.651 -0.139 1.00 17.26 C +ANISOU 554 C LEU A 81 2379 1957 2220 -50 -732 169 C +ATOM 555 O LEU A 81 -15.494 11.509 0.445 1.00 18.28 O +ANISOU 555 O LEU A 81 2154 1892 2898 148 -851 291 O +ATOM 556 CB LEU A 81 -12.389 10.975 -0.352 1.00 21.57 C +ANISOU 556 CB LEU A 81 1940 2095 4160 54 -722 472 C +ATOM 557 CG LEU A 81 -12.421 12.518 -0.302 1.00 24.33 C +ANISOU 557 CG LEU A 81 2770 2204 4268 389 -726 701 C +ATOM 558 CD1 LEU A 81 -12.406 13.031 1.119 1.00 26.74 C +ANISOU 558 CD1 LEU A 81 3220 2517 4420 -4 -1081 -305 C +ATOM 559 CD2 LEU A 81 -11.242 13.088 -1.055 1.00 28.45 C +ANISOU 559 CD2 LEU A 81 2151 3186 5472 342 -527 598 C +ATOM 560 N LEU A 82 -15.302 10.026 -1.223 1.00 14.83 N +ANISOU 560 N LEU A 82 1952 1383 2298 -4 -883 202 N +ATOM 561 CA LEU A 82 -16.596 10.436 -1.818 1.00 14.98 C +ANISOU 561 CA LEU A 82 2028 1492 2169 89 -873 192 C +ATOM 562 C LEU A 82 -17.738 10.280 -0.820 1.00 15.04 C +ANISOU 562 C LEU A 82 2382 1424 1906 70 -701 201 C +ATOM 563 O LEU A 82 -18.598 11.164 -0.707 1.00 15.06 O +ANISOU 563 O LEU A 82 2302 1543 1873 114 -865 -14 O +ATOM 564 CB LEU A 82 -16.912 9.658 -3.108 1.00 12.91 C +ANISOU 564 CB LEU A 82 1548 1646 1708 143 -626 284 C +ATOM 565 CG LEU A 82 -18.230 10.005 -3.793 1.00 13.76 C +ANISOU 565 CG LEU A 82 1851 1427 1949 354 -809 287 C +ATOM 566 CD1 LEU A 82 -18.331 11.492 -4.103 1.00 14.36 C +ANISOU 566 CD1 LEU A 82 2235 1473 1748 445 -233 475 C +ATOM 567 CD2 LEU A 82 -18.438 9.158 -5.033 1.00 18.48 C +ANISOU 567 CD2 LEU A 82 2735 2224 2060 272 -408 -223 C +ATOM 568 N GLY A 83 -17.770 9.150 -0.111 1.00 14.64 N +ANISOU 568 N GLY A 83 2376 1548 1636 -82 -812 260 N +ATOM 569 CA GLY A 83 -18.803 8.969 0.942 1.00 16.19 C +ANISOU 569 CA GLY A 83 2778 1321 2050 -75 -374 20 C +ATOM 570 C GLY A 83 -18.697 9.963 2.096 1.00 17.03 C +ANISOU 570 C GLY A 83 2719 1787 1965 -40 -733 -58 C +ATOM 571 O GLY A 83 -19.717 10.415 2.621 1.00 17.32 O +ANISOU 571 O GLY A 83 2939 1704 1935 10 -558 -123 O +ATOM 572 N ASP A 84 -17.483 10.345 2.481 1.00 15.65 N +ANISOU 572 N ASP A 84 2870 1354 1721 162 -1016 233 N +ATOM 573 CA ASP A 84 -17.344 11.371 3.537 1.00 17.85 C +ANISOU 573 CA ASP A 84 3044 1408 2328 -64 -1349 34 C +ATOM 574 C ASP A 84 -17.897 12.720 3.055 1.00 17.36 C +ANISOU 574 C ASP A 84 2853 1786 1955 284 -761 277 C +ATOM 575 O ASP A 84 -18.555 13.442 3.812 1.00 19.45 O +ANISOU 575 O ASP A 84 3341 1998 2050 232 -749 -203 O +ATOM 576 CB ASP A 84 -15.879 11.530 3.981 1.00 20.71 C +ANISOU 576 CB ASP A 84 2882 1917 3070 -40 -1501 435 C +ATOM 577 CG ASP A 84 -15.271 10.247 4.563 1.00 26.17 C +ANISOU 577 CG ASP A 84 3766 2151 4026 330 -1305 686 C +ATOM 578 OD1 ASP A 84 -16.004 9.340 5.039 0.50 23.74 O +ANISOU 578 OD1 ASP A 84 4590 1929 2501 -178 -2106 767 O +ATOM 579 OD2 ASP A 84 -14.029 10.172 4.541 0.50 28.13 O +ANISOU 579 OD2 ASP A 84 3394 2062 5229 127 -3050 144 O +ATOM 580 N LEU A 85 -17.641 13.056 1.793 1.00 15.39 N +ANISOU 580 N LEU A 85 2415 1613 1817 73 -1139 454 N +ATOM 581 CA LEU A 85 -18.120 14.344 1.226 1.00 15.37 C +ANISOU 581 CA LEU A 85 2465 1356 2016 2 -680 364 C +ATOM 582 C LEU A 85 -19.637 14.381 1.005 1.00 15.74 C +ANISOU 582 C LEU A 85 2474 1493 2014 -23 -560 -133 C +ATOM 583 O LEU A 85 -20.271 15.391 1.230 1.00 14.88 O +ANISOU 583 O LEU A 85 2367 1315 1970 -146 -485 154 O +ATOM 584 CB LEU A 85 -17.406 14.633 -0.082 1.00 16.72 C +ANISOU 584 CB LEU A 85 2113 1782 2457 -16 -568 552 C +ATOM 585 CG LEU A 85 -15.884 14.826 0.086 1.00 18.12 C +ANISOU 585 CG LEU A 85 2085 2388 2410 -203 -650 219 C +ATOM 586 CD1 LEU A 85 -15.345 15.247 -1.271 1.00 20.19 C +ANISOU 586 CD1 LEU A 85 2474 2542 2655 674 -132 696 C +ATOM 587 CD2 LEU A 85 -15.455 15.834 1.171 1.00 20.90 C +ANISOU 587 CD2 LEU A 85 2754 2546 2640 -17 -931 88 C +ATOM 588 N PHE A 86 -20.204 13.273 0.509 1.00 14.45 N +ANISOU 588 N PHE A 86 2324 1302 1863 -84 -796 194 N +ATOM 589 CA PHE A 86 -21.632 13.176 0.282 1.00 15.31 C +ANISOU 589 CA PHE A 86 2453 1672 1688 -375 -556 55 C +ATOM 590 C PHE A 86 -22.423 12.845 1.561 1.00 17.39 C +ANISOU 590 C PHE A 86 2927 1893 1784 -457 -517 255 C +ATOM 591 O PHE A 86 -23.637 13.079 1.611 1.00 17.93 O +ANISOU 591 O PHE A 86 3063 2006 1743 190 -208 -238 O +ATOM 592 CB PHE A 86 -21.905 12.136 -0.789 1.00 14.38 C +ANISOU 592 CB PHE A 86 2206 1837 1417 -80 -689 7 C +ATOM 593 CG PHE A 86 -21.776 12.655 -2.217 1.00 13.84 C +ANISOU 593 CG PHE A 86 2211 1490 1558 240 -648 184 C +ATOM 594 CD1 PHE A 86 -21.137 13.866 -2.510 1.00 16.23 C +ANISOU 594 CD1 PHE A 86 2431 1752 1982 264 -395 497 C +ATOM 595 CD2 PHE A 86 -22.303 11.916 -3.270 1.00 15.03 C +ANISOU 595 CD2 PHE A 86 2236 1706 1768 85 -504 -98 C +ATOM 596 CE1 PHE A 86 -21.052 14.340 -3.829 1.00 13.83 C +ANISOU 596 CE1 PHE A 86 1983 1666 1603 302 -315 60 C +ATOM 597 CE2 PHE A 86 -22.209 12.372 -4.581 1.00 14.97 C +ANISOU 597 CE2 PHE A 86 2168 1552 1968 1 -381 156 C +ATOM 598 CZ PHE A 86 -21.582 13.588 -4.865 1.00 14.18 C +ANISOU 598 CZ PHE A 86 2064 1475 1848 74 -244 39 C +ATOM 599 N GLY A 87 -21.735 12.308 2.579 1.00 16.12 N +ANISOU 599 N GLY A 87 3097 1459 1566 -84 -581 -232 N +ATOM 600 CA GLY A 87 -22.375 12.011 3.861 1.00 17.82 C +ANISOU 600 CA GLY A 87 3235 1528 2007 -235 -320 -151 C +ATOM 601 C GLY A 87 -23.225 10.765 3.843 1.00 18.28 C +ANISOU 601 C GLY A 87 3323 1583 2037 -287 -48 -247 C +ATOM 602 O GLY A 87 -24.099 10.608 4.714 1.00 20.48 O +ANISOU 602 O GLY A 87 3571 2216 1993 -467 52 -412 O +ATOM 603 N VAL A 88 -22.968 9.885 2.863 1.00 15.30 N +ANISOU 603 N VAL A 88 2845 1381 1584 -508 -353 -116 N +ATOM 604 CA VAL A 88 -23.773 8.627 2.687 1.00 13.90 C +ANISOU 604 CA VAL A 88 2806 1051 1423 -227 -520 -207 C +ATOM 605 C VAL A 88 -22.862 7.467 2.278 1.00 14.17 C +ANISOU 605 C VAL A 88 2904 1236 1242 76 -353 275 C +ATOM 606 O VAL A 88 -21.812 7.707 1.661 1.00 17.48 O +ANISOU 606 O VAL A 88 2916 1515 2207 -267 -316 -74 O +ATOM 607 CB VAL A 88 -24.909 8.766 1.611 1.00 15.42 C +ANISOU 607 CB VAL A 88 2593 1790 1473 24 -374 66 C +ATOM 608 CG1 VAL A 88 -25.978 9.778 2.033 1.00 20.38 C +ANISOU 608 CG1 VAL A 88 3263 1990 2489 142 -292 -736 C +ATOM 609 CG2 VAL A 88 -24.345 9.158 0.245 1.00 18.44 C +ANISOU 609 CG2 VAL A 88 3145 1911 1950 -407 -4 438 C +ATOM 610 N PRO A 89 -23.236 6.209 2.615 1.00 15.13 N +ANISOU 610 N PRO A 89 2791 1389 1566 -267 -265 -2 N +ATOM 611 CA PRO A 89 -22.436 5.043 2.184 1.00 15.49 C +ANISOU 611 CA PRO A 89 2935 1210 1740 -321 -460 -21 C +ATOM 612 C PRO A 89 -22.804 4.568 0.779 1.00 15.11 C +ANISOU 612 C PRO A 89 2787 1368 1583 12 -580 194 C +ATOM 613 O PRO A 89 -22.081 3.756 0.195 1.00 16.75 O +ANISOU 613 O PRO A 89 2676 1715 1972 -217 -470 190 O +ATOM 614 CB PRO A 89 -22.800 3.975 3.215 1.00 18.14 C +ANISOU 614 CB PRO A 89 3443 1309 2140 -158 -415 237 C +ATOM 615 CG PRO A 89 -24.224 4.327 3.571 1.00 17.94 C +ANISOU 615 CG PRO A 89 3368 1292 2155 -224 33 226 C +ATOM 616 CD PRO A 89 -24.244 5.838 3.626 1.00 17.86 C +ANISOU 616 CD PRO A 89 3362 1327 2095 -621 35 189 C +ATOM 617 N SER A 90 -23.917 5.073 0.241 1.00 14.72 N +ANISOU 617 N SER A 90 2649 1480 1463 -101 -656 -55 N +ATOM 618 CA SER A 90 -24.379 4.691 -1.109 1.00 13.69 C +ANISOU 618 CA SER A 90 2678 1181 1339 -178 -790 307 C +ATOM 619 C SER A 90 -25.396 5.712 -1.570 1.00 14.31 C +ANISOU 619 C SER A 90 2429 1386 1621 -68 -367 275 C +ATOM 620 O SER A 90 -25.974 6.422 -0.746 1.00 16.30 O +ANISOU 620 O SER A 90 2893 1604 1695 -14 -511 -149 O +ATOM 621 CB SER A 90 -25.051 3.287 -1.118 1.00 15.82 C +ANISOU 621 CB SER A 90 2822 1178 2009 -107 -353 251 C +ATOM 622 OG SER A 90 -26.282 3.288 -0.361 1.00 18.72 O +ANISOU 622 OG SER A 90 2880 1657 2574 -334 -486 276 O +ATOM 623 N PHE A 91 -25.619 5.782 -2.883 1.00 14.24 N +ANISOU 623 N PHE A 91 2462 1218 1731 81 -574 329 N +ATOM 624 CA PHE A 91 -26.649 6.671 -3.406 1.00 13.29 C +ANISOU 624 CA PHE A 91 2160 1326 1563 61 -578 116 C +ATOM 625 C PHE A 91 -27.108 6.195 -4.758 1.00 13.41 C +ANISOU 625 C PHE A 91 2030 1408 1657 -41 -401 -159 C +ATOM 626 O PHE A 91 -26.366 5.498 -5.494 1.00 13.72 O +ANISOU 626 O PHE A 91 2062 1199 1951 164 -337 -171 O +ATOM 627 CB PHE A 91 -26.201 8.166 -3.479 1.00 13.47 C +ANISOU 627 CB PHE A 91 2288 1277 1551 90 -389 -190 C +ATOM 628 CG PHE A 91 -25.031 8.432 -4.388 1.00 13.00 C +ANISOU 628 CG PHE A 91 2279 1167 1490 61 -431 161 C +ATOM 629 CD1 PHE A 91 -25.219 8.774 -5.754 1.00 13.71 C +ANISOU 629 CD1 PHE A 91 2702 1164 1343 187 -335 -169 C +ATOM 630 CD2 PHE A 91 -23.720 8.328 -3.900 1.00 15.66 C +ANISOU 630 CD2 PHE A 91 2300 1445 2203 216 -429 9 C +ATOM 631 CE1 PHE A 91 -24.124 9.017 -6.574 1.00 14.41 C +ANISOU 631 CE1 PHE A 91 2175 1372 1928 367 -447 -302 C +ATOM 632 CE2 PHE A 91 -22.625 8.605 -4.717 1.00 14.94 C +ANISOU 632 CE2 PHE A 91 2226 1470 1977 81 -343 -155 C +ATOM 633 CZ PHE A 91 -22.827 8.944 -6.062 1.00 15.42 C +ANISOU 633 CZ PHE A 91 2309 1518 2031 188 -581 -216 C +ATOM 634 N SER A 92 -28.341 6.552 -5.091 1.00 13.72 N +ANISOU 634 N SER A 92 2075 1454 1684 292 -341 -150 N +ATOM 635 CA SER A 92 -28.888 6.206 -6.420 1.00 15.10 C +ANISOU 635 CA SER A 92 2279 1638 1820 -69 -651 78 C +ATOM 636 C SER A 92 -28.495 7.225 -7.498 1.00 15.76 C +ANISOU 636 C SER A 92 2373 1744 1871 142 -177 -71 C +ATOM 637 O SER A 92 -28.685 8.445 -7.323 1.00 15.61 O +ANISOU 637 O SER A 92 2362 1731 1836 15 -288 -226 O +ATOM 638 CB SER A 92 -30.411 6.121 -6.352 1.00 18.24 C +ANISOU 638 CB SER A 92 2181 2475 2274 -122 -675 140 C +ATOM 639 OG SER A 92 -30.934 6.040 -7.673 1.00 17.75 O +ANISOU 639 OG SER A 92 2749 1732 2263 -418 -724 25 O +ATOM 640 N VAL A 93 -27.988 6.728 -8.624 1.00 13.61 N +ANISOU 640 N VAL A 93 2035 1668 1468 -64 -553 -44 N +ATOM 641 CA VAL A 93 -27.641 7.599 -9.764 1.00 13.38 C +ANISOU 641 CA VAL A 93 2108 1333 1641 -13 -528 -61 C +ATOM 642 C VAL A 93 -28.853 8.228 -10.450 1.00 14.84 C +ANISOU 642 C VAL A 93 2291 1463 1884 132 -586 -170 C +ATOM 643 O VAL A 93 -28.687 9.187 -11.224 1.00 17.10 O +ANISOU 643 O VAL A 93 2539 1854 2103 298 -449 126 O +ATOM 644 CB VAL A 93 -26.827 6.821 -10.839 1.00 13.45 C +ANISOU 644 CB VAL A 93 1719 1621 1771 -7 -598 -208 C +ATOM 645 CG1 VAL A 93 -25.540 6.232 -10.223 1.00 17.67 C +ANISOU 645 CG1 VAL A 93 2456 2346 1909 425 -852 231 C +ATOM 646 CG2 VAL A 93 -27.711 5.761 -11.552 1.00 14.97 C +ANISOU 646 CG2 VAL A 93 2338 1503 1848 -73 -681 -319 C +ATOM 647 N LYS A 94 -30.056 7.701 -10.171 1.00 15.50 N +ANISOU 647 N LYS A 94 2090 1574 2226 184 -730 -248 N +ATOM 648 CA LYS A 94 -31.319 8.179 -10.783 1.00 16.46 C +ANISOU 648 CA LYS A 94 2006 1811 2436 293 -583 -63 C +ATOM 649 C LYS A 94 -31.775 9.537 -10.262 1.00 17.56 C +ANISOU 649 C LYS A 94 2446 1838 2385 137 -792 -282 C +ATOM 650 O LYS A 94 -32.550 10.236 -10.931 1.00 20.59 O +ANISOU 650 O LYS A 94 2455 2138 3226 248 -705 155 O +ATOM 651 CB LYS A 94 -32.454 7.152 -10.604 1.00 21.65 C +ANISOU 651 CB LYS A 94 2619 2033 3571 -179 -1220 -285 C +ATOM 652 CG LYS A 94 -32.159 5.748 -11.130 1.00 29.65 C +ANISOU 652 CG LYS A 94 3444 2469 5351 507 -1902 -976 C +ATOM 653 CD LYS A 94 -33.346 4.808 -10.913 1.00 41.63 C +ANISOU 653 CD LYS A 94 4693 3981 7144 -716 -2529 -1126 C +ATOM 654 CE LYS A 94 -33.164 3.456 -11.602 1.00 43.68 C +ANISOU 654 CE LYS A 94 5783 4069 6741 1662 -3316 -799 C +ATOM 655 NZ LYS A 94 -33.112 3.547 -13.097 0.50 46.50 N +ANISOU 655 NZ LYS A 94 8149 2909 6608 4006 -5758 -1762 N +ATOM 656 N GLU A 95 -31.274 9.896 -9.083 1.00 15.63 N +ANISOU 656 N GLU A 95 2317 1496 2124 118 -379 -73 N +ATOM 657 CA AGLU A 95 -31.741 11.049 -8.316 0.50 16.75 C +ANISOU 657 CA AGLU A 95 2505 1552 2305 -124 90 -91 C +ATOM 658 CA BGLU A 95 -31.772 11.063 -8.359 0.50 17.30 C +ANISOU 658 CA BGLU A 95 2613 1542 2416 -159 135 -148 C +ATOM 659 C GLU A 95 -30.867 12.271 -8.600 1.00 14.34 C +ANISOU 659 C GLU A 95 1978 1476 1994 32 -375 203 C +ATOM 660 O GLU A 95 -30.044 12.669 -7.742 1.00 15.58 O +ANISOU 660 O GLU A 95 2422 1455 2042 -27 -224 -43 O +ATOM 661 CB AGLU A 95 -31.679 10.704 -6.820 0.50 18.93 C +ANISOU 661 CB AGLU A 95 2681 2065 2443 -689 49 281 C +ATOM 662 CB BGLU A 95 -31.912 10.725 -6.872 0.50 21.65 C +ANISOU 662 CB BGLU A 95 3156 2472 2596 -748 90 289 C +ATOM 663 CG AGLU A 95 -32.551 9.525 -6.402 0.50 20.54 C +ANISOU 663 CG AGLU A 95 2690 1665 3447 -401 -117 535 C +ATOM 664 CG BGLU A 95 -32.982 9.672 -6.594 0.50 26.24 C +ANISOU 664 CG BGLU A 95 3659 2174 4133 -932 21 5 C +ATOM 665 CD AGLU A 95 -34.030 9.835 -6.513 0.50 23.57 C +ANISOU 665 CD AGLU A 95 2538 2288 4127 -513 -10 143 C +ATOM 666 CD BGLU A 95 -33.057 9.296 -5.134 0.50 33.65 C +ANISOU 666 CD BGLU A 95 4974 3586 4224 -451 541 230 C +ATOM 667 OE1AGLU A 95 -34.408 11.037 -6.440 0.50 22.49 O +ANISOU 667 OE1AGLU A 95 2547 2223 3775 -427 23 876 O +ATOM 668 OE1BGLU A 95 -32.018 8.877 -4.586 0.50 42.34 O +ANISOU 668 OE1BGLU A 95 5693 5458 4933 1057 630 -263 O +ATOM 669 OE2AGLU A 95 -34.809 8.869 -6.672 0.50 23.79 O +ANISOU 669 OE2AGLU A 95 2137 2822 4080 -611 -111 28 O +ATOM 670 OE2BGLU A 95 -34.149 9.412 -4.536 0.50 40.91 O +ANISOU 670 OE2BGLU A 95 4954 3966 6624 284 882 -372 O +ATOM 671 N HIS A 96 -31.012 12.866 -9.800 1.00 12.99 N +ANISOU 671 N HIS A 96 1944 1216 1776 -169 -455 -142 N +ATOM 672 CA HIS A 96 -30.008 13.901 -10.209 1.00 12.81 C +ANISOU 672 CA HIS A 96 1949 1339 1578 -167 -195 -144 C +ATOM 673 C HIS A 96 -30.061 15.120 -9.321 1.00 11.11 C +ANISOU 673 C HIS A 96 1461 1218 1539 73 -207 -129 C +ATOM 674 O HIS A 96 -29.016 15.677 -8.971 1.00 12.01 O +ANISOU 674 O HIS A 96 1573 1380 1610 99 -464 -22 O +ATOM 675 CB HIS A 96 -30.121 14.310 -11.671 1.00 13.32 C +ANISOU 675 CB HIS A 96 2037 1436 1587 250 -575 -213 C +ATOM 676 CG HIS A 96 -29.731 13.202 -12.638 1.00 14.10 C +ANISOU 676 CG HIS A 96 1986 1638 1731 173 -533 -408 C +ATOM 677 ND1 HIS A 96 -29.542 13.419 -13.958 1.00 16.74 N +ANISOU 677 ND1 HIS A 96 2584 1954 1819 -397 -406 -553 N +ATOM 678 CD2 HIS A 96 -29.536 11.830 -12.438 1.00 14.00 C +ANISOU 678 CD2 HIS A 96 1636 1755 1927 191 -263 -248 C +ATOM 679 CE1 HIS A 96 -29.193 12.267 -14.561 1.00 17.49 C +ANISOU 679 CE1 HIS A 96 2819 1908 1918 101 -382 -256 C +ATOM 680 NE2 HIS A 96 -29.221 11.290 -13.652 1.00 15.45 N +ANISOU 680 NE2 HIS A 96 2214 1893 1761 271 -326 -226 N +ATOM 681 N ARG A 97 -31.261 15.560 -8.956 1.00 13.02 N +ANISOU 681 N ARG A 97 1725 1562 1659 367 -130 -152 N +ATOM 682 CA ARG A 97 -31.385 16.729 -8.041 1.00 12.43 C +ANISOU 682 CA ARG A 97 1566 1492 1663 209 -170 -158 C +ATOM 683 C ARG A 97 -30.725 16.433 -6.696 1.00 12.92 C +ANISOU 683 C ARG A 97 1853 1360 1696 -113 -246 15 C +ATOM 684 O ARG A 97 -29.995 17.282 -6.168 1.00 12.18 O +ANISOU 684 O ARG A 97 1735 1477 1415 47 -378 -184 O +ATOM 685 CB ARG A 97 -32.877 17.076 -7.813 1.00 14.36 C +ANISOU 685 CB ARG A 97 1463 1928 2063 263 -356 -178 C +ATOM 686 CG ARG A 97 -33.137 18.191 -6.765 1.00 14.24 C +ANISOU 686 CG ARG A 97 1602 1488 2319 102 -325 -134 C +ATOM 687 CD ARG A 97 -32.365 19.475 -7.075 1.00 12.16 C +ANISOU 687 CD ARG A 97 1428 1652 1539 100 -329 53 C +ATOM 688 NE ARG A 97 -32.680 20.055 -8.407 1.00 13.38 N +ANISOU 688 NE ARG A 97 1701 1701 1682 616 -194 285 N +ATOM 689 CZ ARG A 97 -31.875 20.930 -9.034 1.00 13.14 C +ANISOU 689 CZ ARG A 97 1811 1617 1562 177 -508 208 C +ATOM 690 NH1 ARG A 97 -30.711 21.281 -8.469 1.00 12.52 N +ANISOU 690 NH1 ARG A 97 1785 1567 1403 375 -341 -83 N +ATOM 691 NH2 ARG A 97 -32.226 21.456 -10.233 1.00 13.85 N +ANISOU 691 NH2 ARG A 97 1872 1817 1571 718 -573 110 N +ATOM 692 N LYS A 98 -30.936 15.234 -6.134 1.00 12.60 N +ANISOU 692 N LYS A 98 1768 1328 1688 186 -202 187 N +ATOM 693 CA LYS A 98 -30.284 14.914 -4.844 1.00 13.65 C +ANISOU 693 CA LYS A 98 1780 1492 1911 -85 -424 263 C +ATOM 694 C LYS A 98 -28.748 14.880 -4.971 1.00 12.56 C +ANISOU 694 C LYS A 98 1782 1439 1551 197 -339 -32 C +ATOM 695 O LYS A 98 -28.057 15.344 -4.051 1.00 12.49 O +ANISOU 695 O LYS A 98 1725 1299 1719 242 -483 19 O +ATOM 696 CB LYS A 98 -30.800 13.586 -4.263 1.00 13.77 C +ANISOU 696 CB LYS A 98 1938 1482 1811 -143 18 183 C +ATOM 697 CG LYS A 98 -32.297 13.599 -3.974 1.00 22.24 C +ANISOU 697 CG LYS A 98 2016 2794 3638 -288 308 700 C +ATOM 698 CD LYS A 98 -32.729 12.361 -3.208 1.00 27.95 C +ANISOU 698 CD LYS A 98 3463 3310 3846 -1173 505 594 C +ATOM 699 CE LYS A 98 -34.229 12.395 -2.958 1.00 35.22 C +ANISOU 699 CE LYS A 98 3364 4637 5379 -1170 329 931 C +ATOM 700 NZ LYS A 98 -34.598 11.331 -1.991 1.00 40.82 N +ANISOU 700 NZ LYS A 98 5389 4813 5308 -858 1179 779 N +ATOM 701 N ILE A 99 -28.233 14.383 -6.102 1.00 10.87 N +ANISOU 701 N ILE A 99 1322 1278 1529 -7 -442 101 N +ATOM 702 CA ILE A 99 -26.770 14.405 -6.357 1.00 11.63 C +ANISOU 702 CA ILE A 99 1552 1104 1762 121 -122 -176 C +ATOM 703 C ILE A 99 -26.265 15.863 -6.464 1.00 10.82 C +ANISOU 703 C ILE A 99 1680 1150 1280 16 -491 -47 C +ATOM 704 O ILE A 99 -25.270 16.225 -5.824 1.00 11.75 O +ANISOU 704 O ILE A 99 1672 1324 1467 139 -506 -187 O +ATOM 705 CB ILE A 99 -26.407 13.559 -7.583 1.00 10.21 C +ANISOU 705 CB ILE A 99 1495 1198 1183 -41 -205 121 C +ATOM 706 CG1 ILE A 99 -26.681 12.091 -7.246 1.00 12.89 C +ANISOU 706 CG1 ILE A 99 2277 1069 1549 -255 -557 -170 C +ATOM 707 CG2 ILE A 99 -24.939 13.735 -7.949 1.00 11.84 C +ANISOU 707 CG2 ILE A 99 1384 1503 1609 280 -87 -149 C +ATOM 708 CD1 ILE A 99 -26.735 11.187 -8.470 1.00 14.00 C +ANISOU 708 CD1 ILE A 99 2231 1465 1622 -8 -587 -460 C +ATOM 709 N TYR A 100 -26.975 16.704 -7.226 1.00 10.74 N +ANISOU 709 N TYR A 100 1620 1097 1362 199 -230 -34 N +ATOM 710 CA TYR A 100 -26.627 18.128 -7.274 1.00 11.24 C +ANISOU 710 CA TYR A 100 1988 1077 1205 221 -426 -79 C +ATOM 711 C TYR A 100 -26.568 18.741 -5.867 1.00 11.66 C +ANISOU 711 C TYR A 100 1890 1342 1197 0 -191 -98 C +ATOM 712 O TYR A 100 -25.600 19.438 -5.540 1.00 11.05 O +ANISOU 712 O TYR A 100 1724 1159 1314 257 -364 -167 O +ATOM 713 CB TYR A 100 -27.555 18.926 -8.205 1.00 11.25 C +ANISOU 713 CB TYR A 100 1922 1366 985 225 -367 2 C +ATOM 714 CG TYR A 100 -26.993 19.039 -9.635 1.00 10.03 C +ANISOU 714 CG TYR A 100 1804 952 1051 180 -269 -150 C +ATOM 715 CD1 TYR A 100 -26.669 17.902 -10.412 1.00 13.19 C +ANISOU 715 CD1 TYR A 100 2025 1373 1613 381 -332 -539 C +ATOM 716 CD2 TYR A 100 -26.705 20.282 -10.166 1.00 10.97 C +ANISOU 716 CD2 TYR A 100 1576 1304 1289 74 -318 325 C +ATOM 717 CE1 TYR A 100 -26.107 18.047 -11.666 1.00 14.65 C +ANISOU 717 CE1 TYR A 100 2118 1783 1663 48 -366 -140 C +ATOM 718 CE2 TYR A 100 -26.170 20.435 -11.441 1.00 12.00 C +ANISOU 718 CE2 TYR A 100 1941 1498 1119 63 -376 -132 C +ATOM 719 CZ TYR A 100 -25.853 19.324 -12.180 1.00 13.25 C +ANISOU 719 CZ TYR A 100 2001 1648 1386 273 -503 -262 C +ATOM 720 OH TYR A 100 -25.255 19.475 -13.424 1.00 15.32 O +ANISOU 720 OH TYR A 100 2474 1877 1468 324 -371 78 O +ATOM 721 N THR A 101 -27.567 18.451 -5.030 1.00 11.08 N +ANISOU 721 N THR A 101 1797 1264 1146 276 -155 -27 N +ATOM 722 CA THR A 101 -27.568 18.979 -3.652 1.00 10.90 C +ANISOU 722 CA THR A 101 1805 1249 1086 229 -103 64 C +ATOM 723 C THR A 101 -26.322 18.537 -2.875 1.00 12.15 C +ANISOU 723 C THR A 101 1900 1294 1420 149 -311 -81 C +ATOM 724 O THR A 101 -25.711 19.335 -2.162 1.00 13.34 O +ANISOU 724 O THR A 101 2107 1331 1628 146 -293 -277 O +ATOM 725 CB THR A 101 -28.871 18.546 -2.945 1.00 12.01 C +ANISOU 725 CB THR A 101 1694 1718 1149 326 -94 181 C +ATOM 726 OG1 THR A 101 -29.973 19.143 -3.646 1.00 13.24 O +ANISOU 726 OG1 THR A 101 1901 1385 1742 414 -203 278 O +ATOM 727 CG2 THR A 101 -28.903 18.970 -1.476 1.00 14.48 C +ANISOU 727 CG2 THR A 101 2477 1648 1375 -86 59 -159 C +ATOM 728 N MET A 102 -25.969 17.257 -2.977 1.00 12.60 N +ANISOU 728 N MET A 102 2050 1425 1312 476 -418 -149 N +ATOM 729 CA MET A 102 -24.766 16.754 -2.284 1.00 11.35 C +ANISOU 729 CA MET A 102 1770 1005 1536 270 -344 -66 C +ATOM 730 C MET A 102 -23.497 17.455 -2.801 1.00 11.91 C +ANISOU 730 C MET A 102 1966 1202 1355 83 -430 56 C +ATOM 731 O MET A 102 -22.582 17.740 -2.011 1.00 13.57 O +ANISOU 731 O MET A 102 2001 1425 1729 -100 -536 -16 O +ATOM 732 CB MET A 102 -24.666 15.220 -2.423 1.00 11.63 C +ANISOU 732 CB MET A 102 1911 931 1575 86 -366 264 C +ATOM 733 CG MET A 102 -25.748 14.520 -1.611 1.00 14.98 C +ANISOU 733 CG MET A 102 2232 1556 1901 -299 44 -46 C +ATOM 734 SD MET A 102 -25.590 12.705 -1.554 1.00 16.80 S +ANISOU 734 SD MET A 102 2586 1647 2147 0 -527 285 S +ATOM 735 CE MET A 102 -26.029 12.276 -3.227 1.00 17.26 C +ANISOU 735 CE MET A 102 2776 1691 2089 -108 -584 133 C +ATOM 736 N ILE A 103 -23.436 17.714 -4.109 1.00 10.36 N +ANISOU 736 N ILE A 103 1633 916 1386 77 -356 -58 N +ATOM 737 CA ILE A 103 -22.311 18.459 -4.665 1.00 10.49 C +ANISOU 737 CA ILE A 103 1715 1194 1076 -15 -414 -65 C +ATOM 738 C ILE A 103 -22.320 19.910 -4.183 1.00 11.05 C +ANISOU 738 C ILE A 103 1661 1194 1341 170 -572 -119 C +ATOM 739 O ILE A 103 -21.270 20.412 -3.774 1.00 11.83 O +ANISOU 739 O ILE A 103 1624 1277 1591 114 -606 -207 O +ATOM 740 CB ILE A 103 -22.293 18.396 -6.200 1.00 12.05 C +ANISOU 740 CB ILE A 103 2034 1506 1037 9 -380 -101 C +ATOM 741 CG1 ILE A 103 -22.083 16.910 -6.621 1.00 12.76 C +ANISOU 741 CG1 ILE A 103 1876 1572 1400 0 -611 -229 C +ATOM 742 CG2 ILE A 103 -21.203 19.328 -6.765 1.00 13.74 C +ANISOU 742 CG2 ILE A 103 2108 1852 1259 -92 -316 -47 C +ATOM 743 CD1 ILE A 103 -22.304 16.644 -8.100 1.00 14.54 C +ANISOU 743 CD1 ILE A 103 1979 2137 1406 -164 -430 -434 C +ATOM 744 N TYR A 104 -23.480 20.580 -4.171 1.00 11.87 N +ANISOU 744 N TYR A 104 1976 1120 1410 394 -162 -152 N +ATOM 745 CA TYR A 104 -23.509 22.002 -3.713 1.00 11.87 C +ANISOU 745 CA TYR A 104 1889 1262 1357 299 -571 -331 C +ATOM 746 C TYR A 104 -22.959 22.139 -2.289 1.00 12.10 C +ANISOU 746 C TYR A 104 2281 1072 1242 198 -560 -64 C +ATOM 747 O TYR A 104 -22.309 23.142 -1.978 1.00 12.85 O +ANISOU 747 O TYR A 104 1989 1439 1452 -27 -700 36 O +ATOM 748 CB TYR A 104 -24.927 22.583 -3.763 1.00 12.62 C +ANISOU 748 CB TYR A 104 1782 1669 1343 344 -495 201 C +ATOM 749 CG TYR A 104 -25.394 22.905 -5.182 1.00 11.59 C +ANISOU 749 CG TYR A 104 1950 1179 1274 138 -560 0 C +ATOM 750 CD1 TYR A 104 -26.574 22.362 -5.700 1.00 11.98 C +ANISOU 750 CD1 TYR A 104 1717 1604 1231 216 -591 -56 C +ATOM 751 CD2 TYR A 104 -24.666 23.790 -5.991 1.00 13.44 C +ANISOU 751 CD2 TYR A 104 1908 1763 1434 155 -397 380 C +ATOM 752 CE1 TYR A 104 -27.017 22.678 -7.007 1.00 11.47 C +ANISOU 752 CE1 TYR A 104 1668 1397 1289 369 -485 130 C +ATOM 753 CE2 TYR A 104 -25.095 24.088 -7.312 1.00 14.07 C +ANISOU 753 CE2 TYR A 104 2113 1678 1555 66 -573 431 C +ATOM 754 CZ TYR A 104 -26.297 23.546 -7.784 1.00 13.18 C +ANISOU 754 CZ TYR A 104 1921 1426 1658 363 -425 85 C +ATOM 755 OH TYR A 104 -26.712 23.807 -9.080 1.00 14.97 O +ANISOU 755 OH TYR A 104 2270 1602 1814 318 -527 73 O +ATOM 756 N ARG A 105 -23.173 21.126 -1.448 1.00 12.14 N +ANISOU 756 N ARG A 105 2182 1262 1166 318 -331 36 N +ATOM 757 CA ARG A 105 -22.638 21.171 -0.071 1.00 13.34 C +ANISOU 757 CA ARG A 105 2378 1318 1371 267 -687 102 C +ATOM 758 C ARG A 105 -21.108 21.289 -0.046 1.00 13.91 C +ANISOU 758 C ARG A 105 2384 1309 1589 291 -835 -207 C +ATOM 759 O ARG A 105 -20.516 21.752 0.964 1.00 17.90 O +ANISOU 759 O ARG A 105 3098 2225 1478 207 -978 -296 O +ATOM 760 CB ARG A 105 -23.002 19.894 0.686 1.00 19.47 C +ANISOU 760 CB ARG A 105 3274 1711 2410 21 -386 571 C +ATOM 761 CG ARG A 105 -24.474 19.688 0.902 1.00 24.14 C +ANISOU 761 CG ARG A 105 3694 2521 2956 10 -154 824 C +ATOM 762 CD ARG A 105 -24.757 18.799 2.108 1.00 36.91 C +ANISOU 762 CD ARG A 105 5606 4919 3500 -1183 1549 1291 C +ATOM 763 NE ARG A 105 -26.099 18.249 1.994 1.00 37.62 N +ANISOU 763 NE ARG A 105 6411 4678 3204 -1333 186 671 N +ATOM 764 CZ ARG A 105 -26.356 16.956 1.875 0.50 36.67 C +ANISOU 764 CZ ARG A 105 5321 4201 4410 -401 -357 479 C +ATOM 765 NH1 ARG A 105 -25.358 16.073 1.880 0.50 28.47 N +ANISOU 765 NH1 ARG A 105 4890 3947 1980 -755 -1018 -898 N +ATOM 766 NH2 ARG A 105 -27.609 16.548 1.766 0.50 35.82 N +ANISOU 766 NH2 ARG A 105 4570 4266 4771 621 -605 1982 N +ATOM 767 N ASN A 106 -20.497 20.829 -1.143 1.00 13.70 N +ANISOU 767 N ASN A 106 2137 1415 1652 146 -490 176 N +ATOM 768 CA ASN A 106 -19.064 20.692 -1.293 1.00 13.67 C +ANISOU 768 CA ASN A 106 2317 1135 1742 243 -515 -96 C +ATOM 769 C ASN A 106 -18.429 21.804 -2.096 1.00 12.73 C +ANISOU 769 C ASN A 106 2149 1398 1288 206 -774 20 C +ATOM 770 O ASN A 106 -17.236 21.734 -2.407 1.00 15.41 O +ANISOU 770 O ASN A 106 2228 1587 2037 230 -796 -36 O +ATOM 771 CB ASN A 106 -18.777 19.310 -1.910 1.00 12.91 C +ANISOU 771 CB ASN A 106 2330 965 1608 292 -684 131 C +ATOM 772 CG ASN A 106 -18.905 18.215 -0.899 1.00 15.55 C +ANISOU 772 CG ASN A 106 2669 1203 2035 49 -1185 419 C +ATOM 773 OD1 ASN A 106 -19.928 17.499 -0.829 1.00 18.59 O +ANISOU 773 OD1 ASN A 106 2632 1985 2446 -146 -940 128 O +ATOM 774 ND2 ASN A 106 -17.898 18.087 -0.091 1.00 16.95 N +ANISOU 774 ND2 ASN A 106 2421 1467 2552 64 -1246 600 N +ATOM 775 N LEU A 107 -19.219 22.840 -2.426 1.00 13.23 N +ANISOU 775 N LEU A 107 2207 1225 1593 268 -691 -92 N +ATOM 776 CA LEU A 107 -18.708 24.016 -3.144 1.00 13.69 C +ANISOU 776 CA LEU A 107 2049 1264 1887 121 -870 32 C +ATOM 777 C LEU A 107 -18.558 25.220 -2.235 1.00 14.58 C +ANISOU 777 C LEU A 107 2456 1416 1668 -198 -659 -9 C +ATOM 778 O LEU A 107 -19.277 25.341 -1.238 1.00 16.54 O +ANISOU 778 O LEU A 107 2635 1403 2246 -132 -598 -182 O +ATOM 779 CB LEU A 107 -19.664 24.431 -4.273 1.00 13.20 C +ANISOU 779 CB LEU A 107 2094 1360 1558 99 -726 35 C +ATOM 780 CG LEU A 107 -20.039 23.305 -5.243 1.00 13.11 C +ANISOU 780 CG LEU A 107 1848 1614 1518 129 -751 -57 C +ATOM 781 CD1 LEU A 107 -21.078 23.793 -6.221 1.00 17.03 C +ANISOU 781 CD1 LEU A 107 2429 2003 2037 173 -1106 440 C +ATOM 782 CD2 LEU A 107 -18.812 22.771 -5.992 1.00 14.60 C +ANISOU 782 CD2 LEU A 107 1755 1744 2046 451 -544 175 C +ATOM 783 N VAL A 108 -17.657 26.129 -2.588 1.00 14.48 N +ANISOU 783 N VAL A 108 1915 1248 2338 -96 -995 148 N +ATOM 784 CA VAL A 108 -17.527 27.397 -1.845 1.00 16.27 C +ANISOU 784 CA VAL A 108 2552 1568 2062 48 -955 -103 C +ATOM 785 C VAL A 108 -18.851 28.186 -1.931 1.00 18.26 C +ANISOU 785 C VAL A 108 2591 1959 2388 92 -716 149 C +ATOM 786 O VAL A 108 -19.513 28.172 -2.975 1.00 17.46 O +ANISOU 786 O VAL A 108 2415 1896 2320 310 -571 281 O +ATOM 787 CB VAL A 108 -16.356 28.209 -2.388 1.00 17.17 C +ANISOU 787 CB VAL A 108 2362 1254 2906 121 -1025 187 C +ATOM 788 CG1 VAL A 108 -16.270 29.592 -1.727 1.00 20.21 C +ANISOU 788 CG1 VAL A 108 3074 1300 3301 -487 -613 54 C +ATOM 789 CG2 VAL A 108 -15.046 27.455 -2.150 1.00 18.12 C +ANISOU 789 CG2 VAL A 108 2476 1640 2768 398 -1009 59 C +ATOM 790 OXT VAL A 108 -19.318 28.816 -0.958 1.00 22.60 O +ANISOU 790 OXT VAL A 108 3589 2063 2932 323 -417 166 O +TER 791 VAL A 108 +HETATM 792 O3 NUT A 201 -23.667 5.839 -16.568 1.00 18.16 O +ANISOU 792 O3 NUT A 201 2971 1682 2248 136 -173 -588 O +HETATM 793 C25 NUT A 201 -23.015 6.538 -15.757 1.00 16.08 C +ANISOU 793 C25 NUT A 201 2123 1719 2267 314 -363 -344 C +HETATM 794 N2 NUT A 201 -21.695 6.402 -15.710 1.00 16.62 N +ANISOU 794 N2 NUT A 201 2187 2008 2117 154 56 -1030 N +HETATM 795 C29 NUT A 201 -21.006 5.564 -16.697 1.00 18.26 C +ANISOU 795 C29 NUT A 201 2767 2416 1753 405 -93 -1129 C +HETATM 796 C28 NUT A 201 -19.624 6.037 -17.066 1.00 21.25 C +ANISOU 796 C28 NUT A 201 3157 2714 2199 536 400 -787 C +HETATM 797 O2 NUT A 201 -19.027 5.438 -17.957 1.00 26.40 O +ANISOU 797 O2 NUT A 201 3704 3591 2733 1379 798 -838 O +HETATM 798 N3 NUT A 201 -19.096 7.088 -16.423 1.00 19.48 N +ANISOU 798 N3 NUT A 201 2555 2737 2107 -18 258 -379 N +HETATM 799 C27 NUT A 201 -19.765 7.777 -15.316 1.00 18.67 C +ANISOU 799 C27 NUT A 201 2451 2591 2049 -86 188 -350 C +HETATM 800 C26 NUT A 201 -20.851 6.955 -14.647 1.00 17.26 C +ANISOU 800 C26 NUT A 201 1996 2035 2527 -202 -446 -317 C +HETATM 801 N1 NUT A 201 -23.728 7.387 -14.970 1.00 13.52 N +ANISOU 801 N1 NUT A 201 2033 1394 1708 -58 -456 -184 N +HETATM 802 C10 NUT A 201 -25.032 7.173 -14.710 1.00 15.25 C +ANISOU 802 C10 NUT A 201 2213 1466 2112 -164 -146 -292 C +HETATM 803 C9 NUT A 201 -25.716 5.849 -14.559 1.00 13.04 C +ANISOU 803 C9 NUT A 201 2045 1190 1718 142 -301 -125 C +HETATM 804 C3 NUT A 201 -27.003 5.643 -15.033 1.00 15.29 C +ANISOU 804 C3 NUT A 201 2308 1346 2152 -343 -478 -226 C +HETATM 805 C2 NUT A 201 -27.636 4.390 -14.872 1.00 13.86 C +ANISOU 805 C2 NUT A 201 2166 1362 1735 -310 -648 -336 C +HETATM 806 C5 NUT A 201 -25.021 4.742 -13.878 1.00 12.69 C +ANISOU 806 C5 NUT A 201 1861 1362 1596 22 -523 5 C +HETATM 807 O1 NUT A 201 -23.751 4.950 -13.415 1.00 14.16 O +ANISOU 807 O1 NUT A 201 1996 1489 1895 66 -794 -20 O +HETATM 808 C6 NUT A 201 -23.077 3.927 -12.640 1.00 14.20 C +ANISOU 808 C6 NUT A 201 2041 1299 2053 187 -837 -266 C +HETATM 809 C8 NUT A 201 -22.445 2.900 -13.586 1.00 17.73 C +ANISOU 809 C8 NUT A 201 2325 1903 2506 434 -583 -502 C +HETATM 810 C7 NUT A 201 -22.063 4.596 -11.718 1.00 16.82 C +ANISOU 810 C7 NUT A 201 2163 1746 2481 -436 -911 -44 C +HETATM 811 C4 NUT A 201 -25.678 3.512 -13.732 1.00 13.78 C +ANISOU 811 C4 NUT A 201 1725 1650 1859 -280 -605 -223 C +HETATM 812 C1 NUT A 201 -26.973 3.348 -14.207 1.00 14.18 C +ANISOU 812 C1 NUT A 201 1738 1722 1927 -308 -598 -37 C +HETATM 813 O NUT A 201 -27.557 2.127 -14.022 1.00 15.19 O +ANISOU 813 O NUT A 201 1823 1762 2183 -300 -672 -257 O +HETATM 814 C NUT A 201 -28.863 1.822 -14.540 1.00 16.25 C +ANISOU 814 C NUT A 201 1824 1736 2613 -235 -905 -177 C +HETATM 815 C18 NUT A 201 -23.330 8.774 -14.740 1.00 15.90 C +ANISOU 815 C18 NUT A 201 2442 1522 2076 3 -340 -673 C +HETATM 816 C19 NUT A 201 -22.897 9.233 -13.374 1.00 13.46 C +ANISOU 816 C19 NUT A 201 1805 1625 1682 -85 -213 -131 C +HETATM 817 C24 NUT A 201 -22.198 10.451 -13.326 1.00 14.37 C +ANISOU 817 C24 NUT A 201 2078 1552 1830 31 -401 -386 C +HETATM 818 C23 NUT A 201 -21.867 10.994 -12.087 1.00 13.16 C +ANISOU 818 C23 NUT A 201 2292 1179 1528 162 -65 -192 C +HETATM 819 C22 NUT A 201 -22.260 10.321 -10.942 1.00 13.69 C +ANISOU 819 C22 NUT A 201 1981 1538 1681 16 -265 80 C +HETATM 820 CL1 NUT A 201 -21.928 11.079 -9.376 1.00 17.12 CL +ANISOU 820 CL1 NUT A 201 2523 1738 2243 286 -664 -259 CL +HETATM 821 C21 NUT A 201 -22.988 9.123 -10.942 1.00 13.60 C +ANISOU 821 C21 NUT A 201 1978 1403 1785 29 -219 -205 C +HETATM 822 C20 NUT A 201 -23.300 8.579 -12.190 1.00 13.58 C +ANISOU 822 C20 NUT A 201 1825 1687 1648 277 -303 -67 C +HETATM 823 C11 NUT A 201 -24.792 9.367 -15.038 1.00 15.99 C +ANISOU 823 C11 NUT A 201 2361 1668 2044 -45 -3 -155 C +HETATM 824 N NUT A 201 -25.707 8.251 -14.709 1.00 15.64 N +ANISOU 824 N NUT A 201 2003 1838 2100 4 -811 -79 N +HETATM 825 C12 NUT A 201 -25.194 10.617 -14.301 1.00 13.29 C +ANISOU 825 C12 NUT A 201 1863 1637 1548 132 -261 61 C +HETATM 826 C17 NUT A 201 -24.980 11.874 -14.865 1.00 14.98 C +ANISOU 826 C17 NUT A 201 1984 1418 2287 32 -363 -191 C +HETATM 827 C16 NUT A 201 -25.355 13.035 -14.145 1.00 14.37 C +ANISOU 827 C16 NUT A 201 1746 1685 2029 121 -477 -301 C +HETATM 828 C15 NUT A 201 -25.935 12.921 -12.864 1.00 14.91 C +ANISOU 828 C15 NUT A 201 2076 1661 1926 -8 -572 -400 C +HETATM 829 CL NUT A 201 -26.417 14.360 -11.915 1.00 18.16 CL +ANISOU 829 CL NUT A 201 2319 1785 2796 87 -444 -559 CL +HETATM 830 C14 NUT A 201 -26.156 11.677 -12.254 1.00 13.49 C +ANISOU 830 C14 NUT A 201 2027 1627 1470 291 -592 -256 C +HETATM 831 C13 NUT A 201 -25.791 10.528 -13.019 1.00 12.86 C +ANISOU 831 C13 NUT A 201 1829 1532 1523 54 -281 -353 C +HETATM 832 S SO4 A 202 -30.284 -1.594 -12.096 0.50 13.77 S +ANISOU 832 S SO4 A 202 2066 1664 1500 -571 -724 -244 S +HETATM 833 O1 SO4 A 202 -29.183 -2.189 -12.837 0.50 13.11 O +ANISOU 833 O1 SO4 A 202 2167 1241 1572 -773 -655 -163 O +HETATM 834 O2 SO4 A 202 -30.937 -0.509 -12.871 0.50 15.40 O +ANISOU 834 O2 SO4 A 202 2040 2226 1583 -452 -582 -115 O +HETATM 835 O3 SO4 A 202 -31.363 -2.531 -11.808 0.50 15.67 O +ANISOU 835 O3 SO4 A 202 2349 1899 1704 -773 -568 -353 O +HETATM 836 O4 SO4 A 202 -29.767 -1.053 -10.801 0.50 13.42 O +ANISOU 836 O4 SO4 A 202 2223 1473 1404 -888 -243 -436 O +HETATM 837 O HOH A 301 -32.477 2.910 -5.224 1.00 34.51 O +ANISOU 837 O HOH A 301 4486 4141 4482 330 760 -432 O +HETATM 838 O HOH A 302 -21.073 31.489 -11.536 1.00 17.23 O +ANISOU 838 O HOH A 302 2331 1973 2242 246 -115 565 O +HETATM 839 O HOH A 303 -28.315 7.881 -0.260 1.00 24.61 O +ANISOU 839 O HOH A 303 3254 3068 3029 229 -334 -370 O +HETATM 840 O HOH A 304 -11.555 25.940 -2.675 1.00 28.19 O +ANISOU 840 O HOH A 304 3214 3249 4247 -1106 -1134 -149 O +HETATM 841 O HOH A 305 -29.730 21.101 -5.749 1.00 13.16 O +ANISOU 841 O HOH A 305 1698 1615 1686 247 -146 19 O +HETATM 842 O HOH A 306 -15.713 19.652 -0.782 1.00 19.66 O +ANISOU 842 O HOH A 306 2857 2045 2565 -43 -734 -32 O +HETATM 843 O HOH A 307 -28.500 8.768 -14.299 1.00 18.91 O +ANISOU 843 O HOH A 307 2708 1626 2851 -38 -666 -371 O +HETATM 844 O HOH A 308 -25.168 25.427 -10.621 1.00 20.24 O +ANISOU 844 O HOH A 308 2953 2788 1950 242 -140 432 O +HETATM 845 O HOH A 309 -24.587 17.719 -15.272 1.00 21.13 O +ANISOU 845 O HOH A 309 3302 2548 2176 332 -205 -129 O +HETATM 846 O HOH A 310 -10.766 7.760 -0.518 1.00 28.31 O +ANISOU 846 O HOH A 310 3027 3048 4678 474 3 374 O +HETATM 847 O HOH A 311 -21.141 15.566 -17.125 1.00 29.85 O +ANISOU 847 O HOH A 311 4655 3946 2740 601 -573 -627 O +HETATM 848 O HOH A 312 -32.148 17.707 -3.033 1.00 21.56 O +ANISOU 848 O HOH A 312 3184 2036 2970 171 573 444 O +HETATM 849 O HOH A 313 -33.466 13.652 -7.152 1.00 21.11 O +ANISOU 849 O HOH A 313 2858 1808 3353 -38 25 288 O +HETATM 850 O HOH A 314 -33.854 14.693 -10.011 1.00 24.60 O +ANISOU 850 O HOH A 314 2446 2846 4055 12 -924 -521 O +HETATM 851 O HOH A 315 -25.641 29.157 -17.112 1.00 21.89 O +ANISOU 851 O HOH A 315 2699 3067 2551 11 421 336 O +HETATM 852 O HOH A 316 -35.294 15.304 -5.786 1.00 31.04 O +ANISOU 852 O HOH A 316 3191 3700 4900 -583 -110 644 O +HETATM 853 O HOH A 317 -23.175 1.109 -9.778 1.00 21.96 O +ANISOU 853 O HOH A 317 3277 2345 2720 270 -685 -569 O +HETATM 854 O HOH A 318 -23.057 30.053 -17.657 1.00 26.24 O +ANISOU 854 O HOH A 318 3865 3131 2974 132 -339 -52 O +HETATM 855 O HOH A 319 -20.580 1.417 0.149 1.00 24.10 O +ANISOU 855 O HOH A 319 3595 2609 2953 -358 -84 -3 O +HETATM 856 O HOH A 320 -32.776 -2.086 -9.425 1.00 32.27 O +ANISOU 856 O HOH A 320 4096 4343 3822 -757 -687 252 O +HETATM 857 O HOH A 321 -18.055 28.753 1.475 1.00 30.35 O +ANISOU 857 O HOH A 321 4258 4469 2804 551 -1115 -867 O +HETATM 858 O HOH A 322 -24.190 27.223 -8.864 0.50 20.53 O +ANISOU 858 O HOH A 322 2901 2331 2569 966 -469 481 O +HETATM 859 O HOH A 323 -23.655 15.375 -16.466 1.00 30.01 O +ANISOU 859 O HOH A 323 4355 3220 3824 783 -395 -304 O +HETATM 860 O HOH A 324 -15.726 27.437 1.823 1.00 22.18 O +ANISOU 860 O HOH A 324 2856 2745 2823 332 -197 378 O +HETATM 861 O HOH A 325 -11.629 27.687 -0.731 1.00 31.77 O +ANISOU 861 O HOH A 325 3130 4321 4620 -1120 -691 -506 O +HETATM 862 O HOH A 326 -19.575 22.553 -19.244 1.00 29.51 O +ANISOU 862 O HOH A 326 4268 4320 2624 1442 -7 195 O +HETATM 863 O HOH A 327 -16.548 8.467 -17.045 1.00 29.99 O +ANISOU 863 O HOH A 327 3080 3840 4474 -446 388 -456 O +HETATM 864 O HOH A 328 -13.520 28.845 1.130 1.00 24.91 O +ANISOU 864 O HOH A 328 3190 2743 3532 -405 -547 300 O +HETATM 865 O HOH A 329 -29.349 15.197 -1.178 1.00 32.78 O +ANISOU 865 O HOH A 329 3447 3782 5224 600 -925 260 O +HETATM 866 O HOH A 330 -26.516 9.472 -18.351 1.00 50.31 O +ANISOU 866 O HOH A 330 7703 6308 5103 -2268 -1195 113 O +HETATM 867 O HOH A 331 -30.647 -5.141 -11.193 1.00 35.43 O +ANISOU 867 O HOH A 331 4688 3215 5558 -915 -290 -127 O +HETATM 868 O HOH A 332 -29.739 8.406 -3.351 1.00 27.45 O +ANISOU 868 O HOH A 332 2298 4883 3249 309 434 -1055 O +HETATM 869 O HOH A 333 -32.615 18.315 -0.267 1.00 40.52 O +ANISOU 869 O HOH A 333 6030 5079 4286 809 984 942 O +HETATM 870 O HOH A 334 -18.096 10.668 -16.231 1.00 28.49 O +ANISOU 870 O HOH A 334 4670 3043 3109 -513 -835 381 O +HETATM 871 O HOH A 335 -30.545 6.891 -14.699 1.00 32.51 O +ANISOU 871 O HOH A 335 3147 3196 6009 384 -1526 -1547 O +HETATM 872 O HOH A 336 -32.667 22.729 -19.999 1.00 32.53 O +ANISOU 872 O HOH A 336 5165 4550 2643 682 -1754 426 O +HETATM 873 O HOH A 337 -36.133 21.855 -13.565 1.00 36.13 O +ANISOU 873 O HOH A 337 3511 5815 4401 2099 -422 -56 O +HETATM 874 O HOH A 338 -25.569 6.744 -18.311 1.00 28.01 O +ANISOU 874 O HOH A 338 4979 2401 3261 323 -1845 -228 O +HETATM 875 O HOH A 339 -8.396 8.049 -13.855 1.00 45.37 O +ANISOU 875 O HOH A 339 6279 5767 5191 -176 269 737 O +HETATM 876 O HOH A 340 -11.431 25.079 -6.093 1.00 32.32 O +ANISOU 876 O HOH A 340 3236 5063 3982 -1468 -562 307 O +HETATM 877 O HOH A 341 -7.181 20.220 -2.867 1.00 34.57 O +ANISOU 877 O HOH A 341 3073 4558 5502 198 185 -899 O +HETATM 878 O HOH A 342 -10.004 4.919 -0.158 1.00 50.44 O +ANISOU 878 O HOH A 342 6204 6340 6621 2196 -2392 1278 O +HETATM 879 O HOH A 343 -28.809 4.090 -1.785 1.00 32.90 O +ANISOU 879 O HOH A 343 3638 4156 4706 446 461 61 O +HETATM 880 O HOH A 344 -19.231 12.823 6.366 1.00 38.00 O +ANISOU 880 O HOH A 344 6775 4104 3556 477 -935 -599 O +HETATM 881 O HOH A 345 -18.635 20.640 3.113 1.00 32.80 O +ANISOU 881 O HOH A 345 4129 4621 3711 -373 -1433 1375 O +HETATM 882 O HOH A 346 -6.907 23.177 -3.075 1.00 44.92 O +ANISOU 882 O HOH A 346 5646 6470 4950 -2097 -501 -1141 O +HETATM 883 O HOH A 347 -19.141 27.767 3.847 1.00 37.34 O +ANISOU 883 O HOH A 347 4472 6030 3685 791 -625 1201 O +HETATM 884 O HOH A 348 -33.594 5.970 -7.211 1.00 36.08 O +ANISOU 884 O HOH A 348 2695 5361 5652 -742 -828 132 O +HETATM 885 O HOH A 349 -10.363 27.585 -5.098 1.00 43.47 O +ANISOU 885 O HOH A 349 4280 7131 5104 -2901 -449 1161 O +HETATM 886 O HOH A 350 -34.526 17.065 -3.765 1.00 31.34 O +ANISOU 886 O HOH A 350 3530 4849 3528 643 55 949 O +HETATM 887 O HOH A 351 -4.764 16.656 -11.744 1.00 37.65 O +ANISOU 887 O HOH A 351 3139 5195 5969 280 850 1057 O +HETATM 888 O HOH A 352 -35.090 20.640 -16.307 1.00 45.52 O +ANISOU 888 O HOH A 352 6261 4255 6779 -1692 -1525 -1257 O +HETATM 889 O HOH A 353 -17.124 3.085 8.159 1.00 41.49 O +ANISOU 889 O HOH A 353 5672 2939 7153 -204 -119 273 O +HETATM 890 O HOH A 354 -9.405 20.379 -16.286 1.00 41.02 O +ANISOU 890 O HOH A 354 5177 4847 5559 2138 204 529 O +HETATM 891 O HOH A 355 -5.656 14.860 -5.856 1.00 33.90 O +ANISOU 891 O HOH A 355 2167 6295 4418 164 -615 -355 O +HETATM 892 O HOH A 356 -26.202 13.562 2.174 1.00 32.86 O +ANISOU 892 O HOH A 356 3848 4175 4461 -98 -330 -65 O +HETATM 893 O HOH A 357 -9.487 9.363 -2.837 1.00 50.15 O +ANISOU 893 O HOH A 357 5017 7900 6135 -1643 -2375 987 O +HETATM 894 O HOH A 358 -35.358 11.214 -10.602 1.00 44.53 O +ANISOU 894 O HOH A 358 3633 6404 6880 -514 -2074 943 O +HETATM 895 O HOH A 359 -8.196 30.056 -7.599 1.00 51.55 O +ANISOU 895 O HOH A 359 4893 8162 6530 65 -732 1587 O +HETATM 896 O HOH A 360 -14.907 25.644 -17.050 1.00 38.67 O +ANISOU 896 O HOH A 360 5754 4282 4656 -892 1807 146 O +HETATM 897 O HOH A 361 -12.914 3.235 -2.055 1.00 35.19 O +ANISOU 897 O HOH A 361 4926 2272 6169 -60 -1323 562 O +HETATM 898 O HOH A 362 -25.253 8.876 6.253 1.00 36.55 O +ANISOU 898 O HOH A 362 5874 4510 3500 -796 1144 951 O +HETATM 899 O HOH A 363 -25.946 21.223 -20.748 1.00 44.95 O +ANISOU 899 O HOH A 363 8190 4360 4528 1877 -1029 -1023 O +HETATM 900 O HOH A 364 -25.606 17.054 -19.586 1.00 40.98 O +ANISOU 900 O HOH A 364 6687 4890 3994 -338 881 -707 O +HETATM 901 O HOH A 365 -23.867 30.951 -20.265 1.00 35.64 O +ANISOU 901 O HOH A 365 5348 4417 3775 633 719 1477 O +HETATM 902 O HOH A 366 -28.624 10.318 -17.108 1.00 40.10 O +ANISOU 902 O HOH A 366 6442 5388 3403 -351 -612 160 O +HETATM 903 O HOH A 367 -12.852 26.938 -15.528 1.00 43.55 O +ANISOU 903 O HOH A 367 5331 7146 4069 1441 1120 2072 O +HETATM 904 O HOH A 368 -11.989 1.523 -4.406 1.00 43.79 O +ANISOU 904 O HOH A 368 5596 3926 7115 1259 -2019 236 O +HETATM 905 O HOH A 369 -14.333 31.475 0.830 1.00 41.82 O +ANISOU 905 O HOH A 369 5424 3955 6509 -205 -1349 -642 O +HETATM 906 O HOH A 370 -17.552 -0.429 3.606 1.00 31.84 O +ANISOU 906 O HOH A 370 4464 2747 4887 -610 -829 667 O +HETATM 907 O HOH A 371 -20.412 4.362 5.912 1.00 41.17 O +ANISOU 907 O HOH A 371 6177 4048 5415 -173 -1354 -536 O +HETATM 908 O HOH A 372 -26.340 29.195 -19.677 1.00 35.96 O +ANISOU 908 O HOH A 372 4199 5136 4327 -377 -399 1929 O +HETATM 909 O HOH A 373 -17.876 5.529 5.038 1.00 44.48 O +ANISOU 909 O HOH A 373 6818 5474 4606 -1898 617 612 O +HETATM 910 O HOH A 374 -21.545 22.939 3.207 1.00 41.09 O +ANISOU 910 O HOH A 374 4938 6995 3679 1452 -327 -494 O +HETATM 911 O HOH A 375 -5.155 12.598 -4.137 1.00 52.93 O +ANISOU 911 O HOH A 375 6583 7587 5940 3281 -1561 -924 O +HETATM 912 O HOH A 376 -17.868 17.741 -19.527 1.00 46.26 O +ANISOU 912 O HOH A 376 7174 5611 4788 -33 -1863 2064 O +HETATM 913 O HOH A 377 -28.507 12.243 0.628 1.00 40.62 O +ANISOU 913 O HOH A 377 4008 4380 7043 -1668 749 -199 O +HETATM 914 O HOH A 378 -27.323 5.256 2.086 1.00 47.28 O +ANISOU 914 O HOH A 378 4643 8949 4371 -803 -824 2245 O +HETATM 915 O HOH A 379 -17.274 8.900 -19.929 1.00 51.37 O +ANISOU 915 O HOH A 379 7306 7331 4881 1723 831 82 O +HETATM 916 O HOH A 380 -2.647 11.654 -9.621 1.00 55.85 O +ANISOU 916 O HOH A 380 6743 4122 10356 602 905 757 O +HETATM 917 O HOH A 381 -25.077 13.669 -17.976 1.00 39.69 O +ANISOU 917 O HOH A 381 5668 5157 4253 -1282 -1001 432 O +HETATM 918 O HOH A 382 -3.705 12.473 -7.178 1.00 45.41 O +ANISOU 918 O HOH A 382 5811 3921 7519 608 -1372 -1032 O +HETATM 919 O HOH A 383 -20.580 28.794 -18.996 1.00 45.56 O +ANISOU 919 O HOH A 383 4571 8522 4217 -800 1309 -68 O +HETATM 920 O HOH A 384 -19.057 19.993 -20.347 1.00 45.70 O +ANISOU 920 O HOH A 384 6703 6822 3837 324 276 346 O +HETATM 921 O HOH A 385 -1.397 17.273 -19.788 1.00 53.73 O +ANISOU 921 O HOH A 385 9236 5997 5181 416 934 -1182 O +HETATM 922 O HOH A 386 -9.113 1.683 -2.526 1.00 53.38 O +ANISOU 922 O HOH A 386 7689 5315 7277 2133 -428 -1107 O +HETATM 923 O HOH A 387 -20.995 26.561 -20.478 1.00 43.70 O +ANISOU 923 O HOH A 387 5654 6354 4594 -939 861 -1520 O +HETATM 924 O HOH A 388 -0.317 19.473 -18.228 1.00 53.87 O +ANISOU 924 O HOH A 388 6532 7955 5978 1373 -209 849 O +HETATM 925 O HOH A 389 -15.864 2.562 -1.345 1.00 44.97 O +ANISOU 925 O HOH A 389 5124 6041 5921 -373 274 75 O +HETATM 926 O HOH A 390 -28.675 10.316 -1.608 1.00 33.55 O +ANISOU 926 O HOH A 390 5853 2668 4226 -485 -818 -806 O +HETATM 927 O HOH A 391 -29.290 15.834 -15.443 1.00 27.18 O +ANISOU 927 O HOH A 391 4908 1291 4125 903 149 -9 O +HETATM 928 O HOH A 392 -31.944 26.199 -19.260 1.00 26.05 O +ANISOU 928 O HOH A 392 2370 3523 4002 -586 687 -883 O +HETATM 929 O HOH A 393 -34.565 20.536 -11.717 1.00 22.82 O +ANISOU 929 O HOH A 393 2879 2967 2823 -567 -808 250 O +HETATM 930 O HOH A 394 -27.648 -1.487 -1.526 1.00 32.57 O +ANISOU 930 O HOH A 394 4992 4124 3257 -1093 64 -274 O +HETATM 931 O HOH A 395 -35.145 17.242 -10.864 1.00 41.48 O +ANISOU 931 O HOH A 395 4900 5597 5260 1494 -2590 -732 O +HETATM 932 O HOH A 396 -27.525 14.406 -16.717 1.00 41.22 O +ANISOU 932 O HOH A 396 3889 7188 4582 911 98 -88 O +HETATM 933 O HOH A 397 -8.370 11.218 -4.198 1.00 51.28 O +ANISOU 933 O HOH A 397 4047 7790 7648 1053 126 122 O +CONECT 792 793 +CONECT 793 792 794 801 +CONECT 794 793 795 800 +CONECT 795 794 796 +CONECT 796 795 797 798 +CONECT 797 796 +CONECT 798 796 799 +CONECT 799 798 800 +CONECT 800 794 799 +CONECT 801 793 802 815 +CONECT 802 801 803 824 +CONECT 803 802 804 806 +CONECT 804 803 805 +CONECT 805 804 812 +CONECT 806 803 807 811 +CONECT 807 806 808 +CONECT 808 807 809 810 +CONECT 809 808 +CONECT 810 808 +CONECT 811 806 812 +CONECT 812 805 811 813 +CONECT 813 812 814 +CONECT 814 813 +CONECT 815 801 816 823 +CONECT 816 815 817 822 +CONECT 817 816 818 +CONECT 818 817 819 +CONECT 819 818 820 821 +CONECT 820 819 +CONECT 821 819 822 +CONECT 822 816 821 +CONECT 823 815 824 825 +CONECT 824 802 823 +CONECT 825 823 826 831 +CONECT 826 825 827 +CONECT 827 826 828 +CONECT 828 827 829 830 +CONECT 829 828 +CONECT 830 828 831 +CONECT 831 825 830 +CONECT 832 833 834 835 836 +CONECT 833 832 +CONECT 834 832 +CONECT 835 832 +CONECT 836 832 +MASTER 308 0 2 5 4 0 7 6 886 1 45 8 +END diff --git a/data/targets/experimental_benchmark/mdm2_4hg7.pdb b/data/targets/experimental_benchmark/mdm2_4hg7.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f48dbd46fd17a856f7d5cdd32b471ebd413f7567 --- /dev/null +++ b/data/targets/experimental_benchmark/mdm2_4hg7.pdb @@ -0,0 +1,2303 @@ +HEADER LIGASE 07-OCT-12 4HG7 +TITLE CRYSTAL STRUCTURE OF AN MDM2/NUTLIN-3A COMPLEX +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: E3 UBIQUITIN-PROTEIN LIGASE MDM2; +COMPND 3 CHAIN: A; +COMPND 4 FRAGMENT: P53 BINDING DOMAIN (RESIDUES 17-125); +COMPND 5 SYNONYM: DOUBLE MINUTE 2 PROTEIN, HDM2, ONCOPROTEIN MDM2, P53-BINDING +COMPND 6 PROTEIN MDM2; +COMPND 7 EC: 6.3.2.-; +COMPND 8 ENGINEERED: YES; +COMPND 9 MUTATION: YES +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; +SOURCE 3 ORGANISM_COMMON: HUMAN; +SOURCE 4 ORGANISM_TAXID: 9606; +SOURCE 5 GENE: MDM2; +SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; +SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; +SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3); +SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; +SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PGEX6P1 +KEYWDS MDM2, NUTLIN-3A, SURFACE ENTROPY REDUCTION, MUTANT VALIDATION, LIGASE +EXPDTA X-RAY DIFFRACTION +AUTHOR M.E.M.NOBLE,B.ANIL,C.RIEDINGER,J.A.ENDICOTT +REVDAT 3 28-FEB-24 4HG7 1 REMARK SEQADV +REVDAT 2 21-AUG-13 4HG7 1 JRNL +REVDAT 1 31-JUL-13 4HG7 0 +JRNL AUTH B.ANIL,C.RIEDINGER,J.A.ENDICOTT,M.E.NOBLE +JRNL TITL THE STRUCTURE OF AN MDM2-NUTLIN-3A COMPLEX SOLVED BY THE USE +JRNL TITL 2 OF A VALIDATED MDM2 SURFACE-ENTROPY REDUCTION MUTANT. +JRNL REF ACTA CRYSTALLOGR.,SECT.D V. 69 1358 2013 +JRNL REFN ISSN 0907-4449 +JRNL PMID 23897459 +JRNL DOI 10.1107/S0907444913004459 +REMARK 2 +REMARK 2 RESOLUTION. 1.60 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : REFMAC 5.6.0117 +REMARK 3 AUTHORS : MURSHUDOV,SKUBAK,LEBEDEV,PANNU,STEINER, +REMARK 3 : NICHOLLS,WINN,LONG,VAGIN +REMARK 3 +REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.60 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 30.94 +REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.200 +REMARK 3 COMPLETENESS FOR RANGE (%) : 98.8 +REMARK 3 NUMBER OF REFLECTIONS : 20070 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT +REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM +REMARK 3 R VALUE (WORKING + TEST SET) : 0.176 +REMARK 3 R VALUE (WORKING SET) : 0.173 +REMARK 3 FREE R VALUE : 0.215 +REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 +REMARK 3 FREE R VALUE TEST SET COUNT : 1065 +REMARK 3 +REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. +REMARK 3 TOTAL NUMBER OF BINS USED : 20 +REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.60 +REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.64 +REMARK 3 REFLECTION IN BIN (WORKING SET) : 1299 +REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 98.84 +REMARK 3 BIN R VALUE (WORKING SET) : 0.2360 +REMARK 3 BIN FREE R VALUE SET COUNT : 61 +REMARK 3 BIN FREE R VALUE : 0.3060 +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 744 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 45 +REMARK 3 SOLVENT ATOMS : 97 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : NULL +REMARK 3 MEAN B VALUE (OVERALL, A**2) : 21.61 +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : -0.55000 +REMARK 3 B22 (A**2) : -0.55000 +REMARK 3 B33 (A**2) : 0.83000 +REMARK 3 B12 (A**2) : -0.28000 +REMARK 3 B13 (A**2) : 0.00000 +REMARK 3 B23 (A**2) : 0.00000 +REMARK 3 +REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. +REMARK 3 ESU BASED ON R VALUE (A): 0.081 +REMARK 3 ESU BASED ON FREE R VALUE (A): 0.076 +REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.043 +REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 2.668 +REMARK 3 +REMARK 3 CORRELATION COEFFICIENTS. +REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.955 +REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.934 +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT +REMARK 3 BOND LENGTHS REFINED ATOMS (A): 862 ; 0.014 ; 0.020 +REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL +REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 1181 ; 1.596 ; 2.063 +REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL +REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 108 ; 5.039 ; 5.000 +REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 35 ;41.647 ;24.286 +REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 165 ;12.277 ;15.000 +REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 4 ;16.794 ;15.000 +REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 132 ; 0.085 ; 0.200 +REMARK 3 GENERAL PLANES REFINED ATOMS (A): 646 ; 0.011 ; 0.021 +REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL +REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL +REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL +REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL +REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY VDW REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL +REMARK 3 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT +REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 LONG RANGE B REFINED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 LONG RANGE B OTHER ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 +REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT +REMARK 3 RIGID-BOND RESTRAINTS (A**2): 861 ; 4.481 ; 3.000 +REMARK 3 SPHERICITY; FREE ATOMS (A**2): 47 ;28.475 ; 5.000 +REMARK 3 SPHERICITY; BONDED ATOMS (A**2): 894 ;13.951 ; 5.000 +REMARK 3 +REMARK 3 NCS RESTRAINTS STATISTICS +REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL +REMARK 3 +REMARK 3 TLS DETAILS +REMARK 3 NUMBER OF TLS GROUPS : NULL +REMARK 3 +REMARK 3 BULK SOLVENT MODELLING. +REMARK 3 METHOD USED : MASK +REMARK 3 PARAMETERS FOR MASK CALCULATION +REMARK 3 VDW PROBE RADIUS : 1.20 +REMARK 3 ION PROBE RADIUS : 0.80 +REMARK 3 SHRINKAGE RADIUS : 0.80 +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN USED IF PRESENT IN +REMARK 3 THE INPUT +REMARK 4 +REMARK 4 4HG7 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 12-OCT-12. +REMARK 100 THE DEPOSITION ID IS D_1000075426. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : 26-NOV-10 +REMARK 200 TEMPERATURE (KELVIN) : 298 +REMARK 200 PH : 5.6 +REMARK 200 NUMBER OF CRYSTALS USED : 1 +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : Y +REMARK 200 RADIATION SOURCE : ESRF +REMARK 200 BEAMLINE : ID23-2 +REMARK 200 X-RAY GENERATOR MODEL : NULL +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 0.8726 +REMARK 200 MONOCHROMATOR : SI 111 CHANNEL +REMARK 200 OPTICS : NULL +REMARK 200 +REMARK 200 DETECTOR TYPE : CCD +REMARK 200 DETECTOR MANUFACTURER : MARMOSAIC 225 MM CCD +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS +REMARK 200 DATA SCALING SOFTWARE : XDS, SCALA +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 21274 +REMARK 200 RESOLUTION RANGE HIGH (A) : 1.600 +REMARK 200 RESOLUTION RANGE LOW (A) : 33.790 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 2.000 +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 99.5 +REMARK 200 DATA REDUNDANCY : NULL +REMARK 200 R MERGE (I) : NULL +REMARK 200 R SYM (I) : NULL +REMARK 200 FOR THE DATA SET : NULL +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.60 +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.69 +REMARK 200 COMPLETENESS FOR SHELL (%) : 99.5 +REMARK 200 DATA REDUNDANCY IN SHELL : NULL +REMARK 200 R MERGE FOR SHELL (I) : NULL +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 FOR SHELL : NULL +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT +REMARK 200 SOFTWARE USED: PHASER +REMARK 200 STARTING MODEL: NULL +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 64.50 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.46 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: 0.5 M AMMONIUM SULFATE, 0.1 M SODIUM +REMARK 280 CITRATE, 1.0 M LITHIUM SULFATE, PH 5.6, VAPOR DIFFUSION, SITTING +REMARK 280 DROP, TEMPERATURE 277K +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 65 2 2 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -Y,X-Y,Z+2/3 +REMARK 290 3555 -X+Y,-X,Z+1/3 +REMARK 290 4555 -X,-Y,Z+1/2 +REMARK 290 5555 Y,-X+Y,Z+1/6 +REMARK 290 6555 X-Y,X,Z+5/6 +REMARK 290 7555 Y,X,-Z+2/3 +REMARK 290 8555 X-Y,-Y,-Z +REMARK 290 9555 -X,-X+Y,-Z+1/3 +REMARK 290 10555 -Y,-X,-Z+1/6 +REMARK 290 11555 -X+Y,Y,-Z+1/2 +REMARK 290 12555 X,X-Y,-Z+5/6 +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 69.46933 +REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 34.73467 +REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 52.10200 +REMARK 290 SMTRY1 5 0.500000 0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 5 -0.866025 0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 17.36733 +REMARK 290 SMTRY1 6 0.500000 -0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 6 0.866025 0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 86.83667 +REMARK 290 SMTRY1 7 -0.500000 0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 7 0.866025 0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 69.46933 +REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 SMTRY1 9 -0.500000 -0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 9 -0.866025 0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 9 0.000000 0.000000 -1.000000 34.73467 +REMARK 290 SMTRY1 10 0.500000 -0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 10 -0.866025 -0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 10 0.000000 0.000000 -1.000000 17.36733 +REMARK 290 SMTRY1 11 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 11 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 11 0.000000 0.000000 -1.000000 52.10200 +REMARK 290 SMTRY1 12 0.500000 0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 12 0.866025 -0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 12 0.000000 0.000000 -1.000000 86.83667 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1, 2 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 +REMARK 350 BIOMOLECULE: 2 +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 1170 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 10140 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -9.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 BIOMT1 2 0.500000 0.866025 0.000000 -35.72500 +REMARK 350 BIOMT2 2 0.866025 -0.500000 0.000000 61.87752 +REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 -17.36733 +REMARK 465 +REMARK 465 MISSING RESIDUES +REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE +REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) +REMARK 465 +REMARK 465 M RES C SSSEQI +REMARK 465 GLY A 12 +REMARK 465 PRO A 13 +REMARK 465 LEU A 14 +REMARK 465 GLY A 15 +REMARK 465 SER A 16 +REMARK 465 SER A 17 +REMARK 800 +REMARK 800 SITE +REMARK 800 SITE_IDENTIFIER: AC1 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NUT A 201 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC2 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 202 +REMARK 900 +REMARK 900 RELATED ENTRIES +REMARK 900 RELATED ID: 4HFZ RELATED DB: PDB +REMARK 900 STRUCTURE SOLVED USING THE SAME SURFACE MUTATIONS OF THE SAME +REMARK 900 CONSTRUCT +DBREF 4HG7 A 17 108 UNP Q00987 MDM2_HUMAN 17 108 +SEQADV 4HG7 GLY A 12 UNP Q00987 EXPRESSION TAG +SEQADV 4HG7 PRO A 13 UNP Q00987 EXPRESSION TAG +SEQADV 4HG7 LEU A 14 UNP Q00987 EXPRESSION TAG +SEQADV 4HG7 GLY A 15 UNP Q00987 EXPRESSION TAG +SEQADV 4HG7 SER A 16 UNP Q00987 EXPRESSION TAG +SEQADV 4HG7 ALA A 69 UNP Q00987 GLU 69 ENGINEERED MUTATION +SEQADV 4HG7 ALA A 70 UNP Q00987 LYS 70 ENGINEERED MUTATION +SEQRES 1 A 97 GLY PRO LEU GLY SER SER GLN ILE PRO ALA SER GLU GLN +SEQRES 2 A 97 GLU THR LEU VAL ARG PRO LYS PRO LEU LEU LEU LYS LEU +SEQRES 3 A 97 LEU LYS SER VAL GLY ALA GLN LYS ASP THR TYR THR MET +SEQRES 4 A 97 LYS GLU VAL LEU PHE TYR LEU GLY GLN TYR ILE MET THR +SEQRES 5 A 97 LYS ARG LEU TYR ASP ALA ALA GLN GLN HIS ILE VAL TYR +SEQRES 6 A 97 CYS SER ASN ASP LEU LEU GLY ASP LEU PHE GLY VAL PRO +SEQRES 7 A 97 SER PHE SER VAL LYS GLU HIS ARG LYS ILE TYR THR MET +SEQRES 8 A 97 ILE TYR ARG ASN LEU VAL +HET NUT A 201 40 +HET SO4 A 202 5 +HETNAM NUT 4-({(4S,5R)-4,5-BIS(4-CHLOROPHENYL)-2-[4-METHOXY-2- +HETNAM 2 NUT (PROPAN-2-YLOXY)PHENYL]-4,5-DIHYDRO-1H-IMIDAZOL-1- +HETNAM 3 NUT YL}CARBONYL)PIPERAZIN-2-ONE +HETNAM SO4 SULFATE ION +HETSYN NUT NUTLIN 3A +FORMUL 2 NUT C30 H30 CL2 N4 O4 +FORMUL 3 SO4 O4 S 2- +FORMUL 4 HOH *97(H2 O) +HELIX 1 1 PRO A 20 GLU A 25 1 6 +HELIX 2 2 LYS A 31 VAL A 41 1 11 +HELIX 3 3 MET A 50 LYS A 64 1 15 +HELIX 4 4 ASP A 80 GLY A 87 1 8 +HELIX 5 5 GLU A 95 ARG A 105 1 11 +SHEET 1 A 2 LEU A 27 VAL A 28 0 +SHEET 2 A 2 TYR A 48 THR A 49 -1 O TYR A 48 N VAL A 28 +SHEET 1 B 2 ILE A 74 TYR A 76 0 +SHEET 2 B 2 SER A 90 SER A 92 -1 O PHE A 91 N VAL A 75 +SITE 1 AC1 14 PRO A 32 LEU A 54 LEU A 57 GLY A 58 +SITE 2 AC1 14 ILE A 61 MET A 62 GLN A 72 HIS A 73 +SITE 3 AC1 14 VAL A 93 HIS A 96 SO4 A 202 HOH A 307 +SITE 4 AC1 14 HOH A 327 HOH A 338 +SITE 1 AC2 9 LYS A 31 GLN A 71 GLN A 72 HIS A 73 +SITE 2 AC2 9 NUT A 201 HOH A 320 HOH A 324 HOH A 331 +SITE 3 AC2 9 HOH A 347 +CRYST1 71.450 71.450 104.204 90.00 90.00 120.00 P 65 2 2 12 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.013996 0.008080 0.000000 0.00000 +SCALE2 0.000000 0.016161 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.009597 0.00000 +ATOM 1 N GLN A 18 -33.251 16.116 -16.144 1.00 26.63 N +ANISOU 1 N GLN A 18 4640 2822 2656 -316 -1400 183 N +ATOM 2 CA GLN A 18 -33.744 16.395 -14.779 1.00 22.76 C +ANISOU 2 CA GLN A 18 3338 2405 2903 -275 -1288 305 C +ATOM 3 C GLN A 18 -33.202 17.722 -14.291 1.00 22.08 C +ANISOU 3 C GLN A 18 2621 2319 3449 -200 -497 -1 C +ATOM 4 O GLN A 18 -33.766 18.329 -13.368 1.00 24.13 O +ANISOU 4 O GLN A 18 2690 2483 3994 -237 -356 -205 O +ATOM 5 CB GLN A 18 -33.223 15.314 -13.819 1.00 21.88 C +ANISOU 5 CB GLN A 18 3432 1792 3088 -340 -1412 170 C +ATOM 6 CG GLN A 18 -33.750 13.922 -14.126 1.00 22.46 C +ANISOU 6 CG GLN A 18 3459 2103 2971 -580 -1541 -52 C +ATOM 7 CD GLN A 18 -33.207 12.844 -13.217 1.00 25.20 C +ANISOU 7 CD GLN A 18 3273 3187 3115 454 -1263 -53 C +ATOM 8 OE1 GLN A 18 -32.919 11.702 -13.662 1.00 29.66 O +ANISOU 8 OE1 GLN A 18 3349 3370 4550 232 -747 -698 O +ATOM 9 NE2 GLN A 18 -33.110 13.159 -11.948 1.00 17.15 N +ANISOU 9 NE2 GLN A 18 1933 1583 2999 -115 -781 -35 N +ATOM 10 N ILE A 19 -32.048 18.114 -14.839 1.00 17.77 N +ANISOU 10 N ILE A 19 2530 1935 2285 -338 -734 207 N +ATOM 11 CA ILE A 19 -31.388 19.371 -14.398 1.00 15.09 C +ANISOU 11 CA ILE A 19 2131 1737 1863 74 -659 62 C +ATOM 12 C ILE A 19 -31.360 20.363 -15.568 1.00 15.53 C +ANISOU 12 C ILE A 19 2361 1674 1864 182 -752 47 C +ATOM 13 O ILE A 19 -30.874 20.015 -16.645 1.00 17.20 O +ANISOU 13 O ILE A 19 2406 2015 2113 362 -660 -123 O +ATOM 14 CB ILE A 19 -29.940 19.163 -13.897 1.00 14.39 C +ANISOU 14 CB ILE A 19 2047 1801 1618 329 -410 228 C +ATOM 15 CG1 ILE A 19 -29.853 18.064 -12.782 1.00 12.77 C +ANISOU 15 CG1 ILE A 19 1935 1683 1231 127 -401 18 C +ATOM 16 CG2 ILE A 19 -29.332 20.499 -13.400 1.00 16.71 C +ANISOU 16 CG2 ILE A 19 1954 2286 2110 227 -202 -216 C +ATOM 17 CD1 ILE A 19 -30.565 18.411 -11.459 1.00 14.95 C +ANISOU 17 CD1 ILE A 19 2162 1975 1541 37 -134 -328 C +ATOM 18 N PRO A 20 -31.850 21.618 -15.350 1.00 15.79 N +ANISOU 18 N PRO A 20 2330 1730 1938 260 -608 14 N +ATOM 19 CA PRO A 20 -31.833 22.555 -16.472 1.00 16.93 C +ANISOU 19 CA PRO A 20 2676 1398 2358 320 -866 -67 C +ATOM 20 C PRO A 20 -30.406 22.832 -17.002 1.00 16.79 C +ANISOU 20 C PRO A 20 2548 1866 1964 138 -1057 145 C +ATOM 21 O PRO A 20 -29.440 22.933 -16.233 1.00 14.85 O +ANISOU 21 O PRO A 20 2305 1747 1591 299 -940 112 O +ATOM 22 CB PRO A 20 -32.480 23.840 -15.887 1.00 18.84 C +ANISOU 22 CB PRO A 20 2717 1295 3145 420 -428 91 C +ATOM 23 CG PRO A 20 -33.228 23.392 -14.660 1.00 21.77 C +ANISOU 23 CG PRO A 20 3463 2238 2569 951 -776 325 C +ATOM 24 CD PRO A 20 -32.571 22.141 -14.171 1.00 17.00 C +ANISOU 24 CD PRO A 20 2395 1895 2169 578 -544 157 C +ATOM 25 N ALA A 21 -30.285 22.997 -18.307 1.00 18.79 N +ANISOU 25 N ALA A 21 2905 2213 2022 250 -396 -137 N +ATOM 26 CA ALA A 21 -28.996 23.235 -18.942 1.00 18.45 C +ANISOU 26 CA ALA A 21 2932 2470 1605 -75 -384 67 C +ATOM 27 C ALA A 21 -28.269 24.431 -18.361 1.00 16.30 C +ANISOU 27 C ALA A 21 2630 1811 1750 274 -555 348 C +ATOM 28 O ALA A 21 -27.044 24.367 -18.157 1.00 17.22 O +ANISOU 28 O ALA A 21 2657 2174 1712 398 -620 64 O +ATOM 29 CB ALA A 21 -29.182 23.417 -20.449 1.00 21.78 C +ANISOU 29 CB ALA A 21 3815 2638 1820 308 -1291 -25 C +ATOM 30 N SER A 22 -28.998 25.516 -18.059 1.00 15.80 N +ANISOU 30 N SER A 22 2616 1886 1500 210 -835 148 N +ATOM 31 CA ASER A 22 -28.345 26.723 -17.527 0.80 15.69 C +ANISOU 31 CA ASER A 22 2635 1811 1516 415 -676 -30 C +ATOM 32 CA BSER A 22 -28.340 26.708 -17.516 0.20 15.19 C +ANISOU 32 CA BSER A 22 2460 1748 1563 299 -655 159 C +ATOM 33 C SER A 22 -27.637 26.438 -16.184 1.00 14.66 C +ANISOU 33 C SER A 22 2235 1760 1573 186 -587 265 C +ATOM 34 O SER A 22 -26.570 26.985 -15.905 1.00 15.22 O +ANISOU 34 O SER A 22 2118 1875 1790 210 -331 80 O +ATOM 35 CB ASER A 22 -29.349 27.885 -17.393 0.80 18.00 C +ANISOU 35 CB ASER A 22 2303 2321 2215 657 -523 449 C +ATOM 36 CB BSER A 22 -29.339 27.848 -17.370 0.20 15.24 C +ANISOU 36 CB BSER A 22 2316 1870 1603 397 -782 534 C +ATOM 37 OG ASER A 22 -30.358 27.609 -16.431 0.80 19.75 O +ANISOU 37 OG ASER A 22 2193 2306 3005 85 -402 427 O +ATOM 38 OG BSER A 22 -29.824 28.215 -18.642 0.20 15.16 O +ANISOU 38 OG BSER A 22 2227 1701 1831 446 -923 671 O +ATOM 39 N GLU A 23 -28.238 25.588 -15.365 1.00 13.27 N +ANISOU 39 N GLU A 23 2096 1531 1415 257 -548 46 N +ATOM 40 CA GLU A 23 -27.706 25.250 -14.063 1.00 11.57 C +ANISOU 40 CA GLU A 23 1771 1462 1163 353 -149 43 C +ATOM 41 C GLU A 23 -26.448 24.374 -14.226 1.00 12.43 C +ANISOU 41 C GLU A 23 1836 1591 1293 464 -281 -52 C +ATOM 42 O GLU A 23 -25.468 24.556 -13.499 1.00 14.56 O +ANISOU 42 O GLU A 23 1996 1841 1695 306 -436 240 O +ATOM 43 CB GLU A 23 -28.777 24.514 -13.238 1.00 12.59 C +ANISOU 43 CB GLU A 23 1860 1612 1309 214 -341 235 C +ATOM 44 CG GLU A 23 -28.287 24.177 -11.848 1.00 12.34 C +ANISOU 44 CG GLU A 23 1650 1493 1543 353 -578 286 C +ATOM 45 CD GLU A 23 -29.328 23.506 -10.983 1.00 13.98 C +ANISOU 45 CD GLU A 23 1851 1683 1775 365 -351 197 C +ATOM 46 OE1 GLU A 23 -30.501 23.358 -11.410 1.00 13.47 O +ANISOU 46 OE1 GLU A 23 1999 1782 1336 288 -445 222 O +ATOM 47 OE2 GLU A 23 -28.941 23.116 -9.853 1.00 13.93 O +ANISOU 47 OE2 GLU A 23 2487 1486 1320 427 -150 -209 O +ATOM 48 N GLN A 24 -26.479 23.471 -15.221 1.00 12.50 N +ANISOU 48 N GLN A 24 1584 1550 1615 226 -493 -215 N +ATOM 49 CA GLN A 24 -25.328 22.600 -15.501 1.00 13.66 C +ANISOU 49 CA GLN A 24 1791 1652 1745 283 -194 -182 C +ATOM 50 C GLN A 24 -24.129 23.416 -15.972 1.00 14.42 C +ANISOU 50 C GLN A 24 2127 1758 1593 247 -210 325 C +ATOM 51 O GLN A 24 -22.978 23.016 -15.766 1.00 15.26 O +ANISOU 51 O GLN A 24 2034 2152 1609 90 -218 204 O +ATOM 52 CB GLN A 24 -25.670 21.566 -16.587 1.00 14.10 C +ANISOU 52 CB GLN A 24 1895 1713 1747 132 25 -311 C +ATOM 53 CG GLN A 24 -26.841 20.662 -16.210 1.00 14.46 C +ANISOU 53 CG GLN A 24 2188 1596 1710 -162 -226 -61 C +ATOM 54 CD GLN A 24 -27.020 19.503 -17.177 1.00 18.58 C +ANISOU 54 CD GLN A 24 2896 2075 2085 -166 -348 -473 C +ATOM 55 OE1 GLN A 24 -26.041 18.835 -17.539 1.00 22.28 O +ANISOU 55 OE1 GLN A 24 3360 2345 2757 335 -464 -571 O +ATOM 56 NE2 GLN A 24 -28.266 19.248 -17.603 1.00 19.87 N +ANISOU 56 NE2 GLN A 24 3143 2237 2169 121 -820 -43 N +ATOM 57 N GLU A 25 -24.411 24.544 -16.624 1.00 14.67 N +ANISOU 57 N GLU A 25 2350 1814 1406 126 -397 307 N +ATOM 58 CA AGLU A 25 -23.328 25.316 -17.231 0.50 15.24 C +ANISOU 58 CA AGLU A 25 2618 1938 1233 143 -283 578 C +ATOM 59 CA BGLU A 25 -23.390 25.367 -17.271 0.50 15.29 C +ANISOU 59 CA BGLU A 25 2542 1946 1320 149 -363 555 C +ATOM 60 C GLU A 25 -22.832 26.463 -16.361 1.00 14.84 C +ANISOU 60 C GLU A 25 2312 1986 1338 370 -461 433 C +ATOM 61 O GLU A 25 -22.020 27.266 -16.793 1.00 21.60 O +ANISOU 61 O GLU A 25 3235 2514 2457 -118 -166 453 O +ATOM 62 CB AGLU A 25 -23.710 25.812 -18.634 0.50 16.61 C +ANISOU 62 CB AGLU A 25 2822 2281 1206 470 -336 474 C +ATOM 63 CB BGLU A 25 -23.934 25.982 -18.586 0.50 17.56 C +ANISOU 63 CB BGLU A 25 2931 2446 1291 58 -572 535 C +ATOM 64 CG AGLU A 25 -23.992 24.696 -19.628 0.50 22.33 C +ANISOU 64 CG AGLU A 25 3403 2803 2278 208 -378 -214 C +ATOM 65 CG BGLU A 25 -24.340 24.954 -19.636 0.50 21.22 C +ANISOU 65 CG BGLU A 25 3052 3438 1572 220 -1391 130 C +ATOM 66 CD AGLU A 25 -22.764 23.851 -19.922 0.50 21.72 C +ANISOU 66 CD AGLU A 25 3929 3237 1087 746 -361 -13 C +ATOM 67 CD BGLU A 25 -25.021 25.525 -20.879 0.50 26.01 C +ANISOU 67 CD BGLU A 25 3651 3640 2591 1145 -1344 203 C +ATOM 68 OE1AGLU A 25 -22.915 22.672 -20.297 0.50 30.23 O +ANISOU 68 OE1AGLU A 25 5597 3249 2639 543 -127 -348 O +ATOM 69 OE1BGLU A 25 -25.758 26.538 -20.824 0.50 27.52 O +ANISOU 69 OE1BGLU A 25 3838 3314 3304 1529 -879 1017 O +ATOM 70 OE2AGLU A 25 -21.642 24.363 -19.781 0.50 25.51 O +ANISOU 70 OE2AGLU A 25 3740 3979 1971 983 -71 -74 O +ATOM 71 OE2BGLU A 25 -24.842 24.920 -21.950 0.50 39.48 O +ANISOU 71 OE2BGLU A 25 5766 5705 3530 283 55 -1047 O +ATOM 72 N THR A 26 -23.281 26.509 -15.104 1.00 14.27 N +ANISOU 72 N THR A 26 2117 1823 1480 364 -543 171 N +ATOM 73 CA THR A 26 -22.842 27.558 -14.172 1.00 15.62 C +ANISOU 73 CA THR A 26 2160 1926 1849 165 -569 51 C +ATOM 74 C THR A 26 -21.462 27.224 -13.603 1.00 15.85 C +ANISOU 74 C THR A 26 2243 2018 1759 139 -516 219 C +ATOM 75 O THR A 26 -21.225 26.077 -13.205 1.00 15.10 O +ANISOU 75 O THR A 26 2039 1641 2057 -38 -339 96 O +ATOM 76 CB THR A 26 -23.883 27.687 -13.037 1.00 16.30 C +ANISOU 76 CB THR A 26 2216 2042 1934 271 -461 -87 C +ATOM 77 OG1 THR A 26 -25.091 28.192 -13.629 1.00 21.42 O +ANISOU 77 OG1 THR A 26 2551 2646 2940 360 -1031 -377 O +ATOM 78 CG2 THR A 26 -23.447 28.670 -11.975 1.00 17.75 C +ANISOU 78 CG2 THR A 26 2486 2193 2063 -226 -285 66 C +ATOM 79 N LEU A 27 -20.570 28.218 -13.588 1.00 15.17 N +ANISOU 79 N LEU A 27 1898 2232 1631 55 -479 130 N +ATOM 80 CA LEU A 27 -19.212 28.063 -13.030 1.00 14.25 C +ANISOU 80 CA LEU A 27 1936 1711 1766 -65 -482 578 C +ATOM 81 C LEU A 27 -19.252 28.024 -11.506 1.00 15.15 C +ANISOU 81 C LEU A 27 2201 1738 1815 125 -550 272 C +ATOM 82 O LEU A 27 -19.839 28.918 -10.873 1.00 15.64 O +ANISOU 82 O LEU A 27 2210 2017 1713 235 -442 373 O +ATOM 83 CB LEU A 27 -18.283 29.193 -13.512 1.00 16.16 C +ANISOU 83 CB LEU A 27 2037 1993 2108 -167 -296 672 C +ATOM 84 CG LEU A 27 -16.777 28.995 -13.263 1.00 19.41 C +ANISOU 84 CG LEU A 27 2214 2139 3022 -159 -394 315 C +ATOM 85 CD1 LEU A 27 -16.222 27.959 -14.241 1.00 21.37 C +ANISOU 85 CD1 LEU A 27 2366 2303 3450 634 -154 453 C +ATOM 86 CD2 LEU A 27 -16.050 30.325 -13.415 1.00 23.69 C +ANISOU 86 CD2 LEU A 27 2612 2629 3757 -541 -142 519 C +ATOM 87 N VAL A 28 -18.608 27.015 -10.910 1.00 14.49 N +ANISOU 87 N VAL A 28 2193 1493 1819 -160 -563 307 N +ATOM 88 CA VAL A 28 -18.543 26.887 -9.458 1.00 15.32 C +ANISOU 88 CA VAL A 28 2067 1758 1995 -378 -533 532 C +ATOM 89 C VAL A 28 -17.112 26.638 -8.995 1.00 15.78 C +ANISOU 89 C VAL A 28 2190 1754 2051 -188 -661 175 C +ATOM 90 O VAL A 28 -16.222 26.321 -9.811 1.00 15.89 O +ANISOU 90 O VAL A 28 2005 1809 2223 -39 -551 473 O +ATOM 91 CB VAL A 28 -19.461 25.735 -8.965 1.00 13.82 C +ANISOU 91 CB VAL A 28 1736 1714 1801 -136 -424 610 C +ATOM 92 CG1 VAL A 28 -20.934 26.068 -9.313 1.00 17.35 C +ANISOU 92 CG1 VAL A 28 1859 2517 2217 -24 -698 671 C +ATOM 93 CG2 VAL A 28 -19.030 24.400 -9.592 1.00 16.56 C +ANISOU 93 CG2 VAL A 28 2329 1725 2235 -434 -474 463 C +ATOM 94 N ARG A 29 -16.904 26.762 -7.682 1.00 14.38 N +ANISOU 94 N ARG A 29 1823 1628 2010 3 -704 634 N +ATOM 95 CA ARG A 29 -15.579 26.613 -7.073 1.00 13.71 C +ANISOU 95 CA ARG A 29 1776 1240 2191 -167 -843 241 C +ATOM 96 C ARG A 29 -15.649 25.531 -6.029 1.00 13.63 C +ANISOU 96 C ARG A 29 1898 1374 1907 -253 -739 126 C +ATOM 97 O ARG A 29 -16.136 25.779 -4.930 1.00 14.66 O +ANISOU 97 O ARG A 29 2062 1520 1988 -218 -721 148 O +ATOM 98 CB ARG A 29 -15.109 27.923 -6.425 1.00 15.65 C +ANISOU 98 CB ARG A 29 1991 1406 2549 -729 -476 307 C +ATOM 99 CG ARG A 29 -13.683 27.868 -5.884 1.00 21.97 C +ANISOU 99 CG ARG A 29 2555 2305 3487 -539 -1276 224 C +ATOM 100 CD ARG A 29 -13.241 29.194 -5.290 1.00 27.46 C +ANISOU 100 CD ARG A 29 4330 2716 3385 -1549 -757 368 C +ATOM 101 NE ARG A 29 -13.150 30.249 -6.290 1.00 32.40 N +ANISOU 101 NE ARG A 29 5718 2374 4216 -1757 -892 456 N +ATOM 102 CZ ARG A 29 -12.098 30.469 -7.085 1.00 38.59 C +ANISOU 102 CZ ARG A 29 6046 3877 4736 -601 -243 1252 C +ATOM 103 NH1 ARG A 29 -11.008 29.687 -7.031 1.00 33.71 N +ANISOU 103 NH1 ARG A 29 4592 3489 4725 -1999 -448 706 N +ATOM 104 NH2 ARG A 29 -12.143 31.485 -7.941 1.00 32.09 N +ANISOU 104 NH2 ARG A 29 4541 3571 4077 -343 -1348 885 N +ATOM 105 N PRO A 30 -15.181 24.316 -6.348 1.00 13.07 N +ANISOU 105 N PRO A 30 1693 1467 1805 -115 -663 269 N +ATOM 106 CA PRO A 30 -15.167 23.263 -5.294 1.00 13.18 C +ANISOU 106 CA PRO A 30 1905 1272 1828 43 -843 239 C +ATOM 107 C PRO A 30 -14.380 23.676 -4.026 1.00 14.69 C +ANISOU 107 C PRO A 30 2222 1502 1854 -115 -915 298 C +ATOM 108 O PRO A 30 -13.327 24.342 -4.121 1.00 16.92 O +ANISOU 108 O PRO A 30 2160 2071 2196 -149 -807 82 O +ATOM 109 CB PRO A 30 -14.405 22.110 -5.977 1.00 13.49 C +ANISOU 109 CB PRO A 30 2277 1242 1605 115 -788 235 C +ATOM 110 CG PRO A 30 -14.762 22.288 -7.456 1.00 15.77 C +ANISOU 110 CG PRO A 30 2552 1571 1867 -69 -942 969 C +ATOM 111 CD PRO A 30 -14.720 23.808 -7.660 1.00 14.98 C +ANISOU 111 CD PRO A 30 2158 1416 2117 118 -322 321 C +ATOM 112 N LYS A 31 -14.847 23.256 -2.852 1.00 14.59 N +ANISOU 112 N LYS A 31 2113 1686 1741 -220 -994 216 N +ATOM 113 CA LYS A 31 -13.977 23.335 -1.654 1.00 13.86 C +ANISOU 113 CA LYS A 31 1899 1465 1899 -226 -993 85 C +ATOM 114 C LYS A 31 -12.770 22.350 -1.863 1.00 15.59 C +ANISOU 114 C LYS A 31 1973 1674 2275 -103 -1118 -140 C +ATOM 115 O LYS A 31 -12.827 21.470 -2.737 1.00 14.44 O +ANISOU 115 O LYS A 31 2139 1438 1909 56 -1123 47 O +ATOM 116 CB LYS A 31 -14.767 22.947 -0.377 1.00 14.58 C +ANISOU 116 CB LYS A 31 2468 1600 1472 211 -811 -37 C +ATOM 117 CG LYS A 31 -15.923 23.899 -0.039 1.00 17.58 C +ANISOU 117 CG LYS A 31 2326 2106 2245 454 -848 231 C +ATOM 118 CD LYS A 31 -16.698 23.330 1.174 1.00 18.03 C +ANISOU 118 CD LYS A 31 2601 2157 2089 601 -574 207 C +ATOM 119 CE LYS A 31 -17.917 24.171 1.536 1.00 22.36 C +ANISOU 119 CE LYS A 31 3021 3146 2329 825 -362 294 C +ATOM 120 NZ LYS A 31 -18.520 23.621 2.790 1.00 22.36 N +ANISOU 120 NZ LYS A 31 2599 3744 2152 -38 -839 429 N +ATOM 121 N PRO A 32 -11.689 22.496 -1.083 1.00 14.00 N +ANISOU 121 N PRO A 32 1862 1556 1900 -232 -933 80 N +ATOM 122 CA PRO A 32 -10.471 21.711 -1.373 1.00 14.88 C +ANISOU 122 CA PRO A 32 1762 1640 2249 -417 -1129 215 C +ATOM 123 C PRO A 32 -10.620 20.195 -1.342 1.00 15.12 C +ANISOU 123 C PRO A 32 1852 1578 2312 -122 -1028 396 C +ATOM 124 O PRO A 32 -9.906 19.527 -2.091 1.00 17.98 O +ANISOU 124 O PRO A 32 2099 1665 3066 -161 -977 28 O +ATOM 125 CB PRO A 32 -9.494 22.178 -0.287 1.00 16.13 C +ANISOU 125 CB PRO A 32 1937 1600 2588 -449 -1406 239 C +ATOM 126 CG PRO A 32 -9.899 23.610 -0.065 1.00 17.20 C +ANISOU 126 CG PRO A 32 1719 1826 2989 -200 -948 225 C +ATOM 127 CD PRO A 32 -11.432 23.532 -0.055 1.00 15.96 C +ANISOU 127 CD PRO A 32 1743 1545 2777 -552 -1099 -268 C +ATOM 128 N LEU A 33 -11.503 19.630 -0.497 1.00 14.16 N +ANISOU 128 N LEU A 33 1915 1290 2174 -271 -979 276 N +ATOM 129 CA LEU A 33 -11.629 18.164 -0.491 1.00 13.71 C +ANISOU 129 CA LEU A 33 1711 1414 2082 -517 -791 161 C +ATOM 130 C LEU A 33 -12.263 17.635 -1.782 1.00 13.85 C +ANISOU 130 C LEU A 33 1784 1416 2061 -122 -976 240 C +ATOM 131 O LEU A 33 -11.824 16.615 -2.303 1.00 15.54 O +ANISOU 131 O LEU A 33 1737 1665 2499 255 -1029 10 O +ATOM 132 CB LEU A 33 -12.380 17.667 0.750 1.00 15.11 C +ANISOU 132 CB LEU A 33 2073 1711 1957 -291 -689 444 C +ATOM 133 CG LEU A 33 -11.661 17.938 2.072 1.00 16.99 C +ANISOU 133 CG LEU A 33 2367 2149 1939 -247 -782 576 C +ATOM 134 CD1 LEU A 33 -12.505 17.536 3.265 1.00 19.43 C +ANISOU 134 CD1 LEU A 33 2345 2353 2681 -697 -340 630 C +ATOM 135 CD2 LEU A 33 -10.289 17.279 2.121 1.00 19.80 C +ANISOU 135 CD2 LEU A 33 2364 2755 2402 -149 -1062 685 C +ATOM 136 N LEU A 34 -13.298 18.296 -2.281 1.00 13.66 N +ANISOU 136 N LEU A 34 1632 1634 1924 -361 -1154 212 N +ATOM 137 CA LEU A 34 -13.846 17.888 -3.563 1.00 12.93 C +ANISOU 137 CA LEU A 34 1544 1714 1653 -21 -876 108 C +ATOM 138 C LEU A 34 -12.805 18.134 -4.651 1.00 13.48 C +ANISOU 138 C LEU A 34 1558 1570 1992 -24 -789 169 C +ATOM 139 O LEU A 34 -12.677 17.308 -5.588 1.00 15.20 O +ANISOU 139 O LEU A 34 1795 1697 2282 150 -909 -9 O +ATOM 140 CB LEU A 34 -15.147 18.621 -3.880 1.00 13.60 C +ANISOU 140 CB LEU A 34 1946 1479 1742 162 -1097 227 C +ATOM 141 CG LEU A 34 -15.764 18.385 -5.268 1.00 13.33 C +ANISOU 141 CG LEU A 34 1680 1486 1896 55 -997 -316 C +ATOM 142 CD1 LEU A 34 -16.003 16.885 -5.555 1.00 14.65 C +ANISOU 142 CD1 LEU A 34 1914 1564 2088 117 -737 -679 C +ATOM 143 CD2 LEU A 34 -17.067 19.162 -5.437 1.00 16.29 C +ANISOU 143 CD2 LEU A 34 1920 1803 2465 397 -889 -370 C +ATOM 144 N LEU A 35 -12.069 19.248 -4.547 1.00 13.80 N +ANISOU 144 N LEU A 35 1435 1689 2119 -103 -567 363 N +ATOM 145 CA LEU A 35 -11.061 19.550 -5.571 1.00 15.22 C +ANISOU 145 CA LEU A 35 1952 1599 2230 -314 -248 256 C +ATOM 146 C LEU A 35 -10.012 18.424 -5.630 1.00 18.01 C +ANISOU 146 C LEU A 35 2072 2112 2656 -33 -718 335 C +ATOM 147 O LEU A 35 -9.621 18.009 -6.726 1.00 18.84 O +ANISOU 147 O LEU A 35 2100 2397 2659 -395 -300 149 O +ATOM 148 CB LEU A 35 -10.383 20.916 -5.327 1.00 19.62 C +ANISOU 148 CB LEU A 35 2628 2088 2737 -945 -457 154 C +ATOM 149 CG LEU A 35 -9.569 21.462 -6.513 1.00 22.63 C +ANISOU 149 CG LEU A 35 3041 2287 3271 -659 -305 572 C +ATOM 150 CD1 LEU A 35 -10.470 21.765 -7.700 1.00 25.75 C +ANISOU 150 CD1 LEU A 35 3898 2736 3148 -501 -527 692 C +ATOM 151 CD2 LEU A 35 -8.857 22.738 -6.081 1.00 27.69 C +ANISOU 151 CD2 LEU A 35 3380 2700 4438 -1402 -848 1134 C +ATOM 152 N LYS A 36 -9.569 17.940 -4.466 1.00 16.70 N +ANISOU 152 N LYS A 36 1767 2022 2555 -77 -745 375 N +ATOM 153 CA LYS A 36 -8.657 16.773 -4.362 1.00 18.01 C +ANISOU 153 CA LYS A 36 1842 2309 2689 238 -900 206 C +ATOM 154 C LYS A 36 -9.157 15.574 -5.186 1.00 18.81 C +ANISOU 154 C LYS A 36 1797 2192 3155 180 -493 90 C +ATOM 155 O LYS A 36 -8.394 14.946 -5.935 1.00 20.68 O +ANISOU 155 O LYS A 36 2061 3126 2670 638 -557 132 O +ATOM 156 CB LYS A 36 -8.448 16.347 -2.887 1.00 18.31 C +ANISOU 156 CB LYS A 36 1599 2682 2675 389 -979 318 C +ATOM 157 CG LYS A 36 -7.600 15.068 -2.671 1.00 27.44 C +ANISOU 157 CG LYS A 36 3756 3162 3505 1229 -1132 820 C +ATOM 158 CD LYS A 36 -7.466 14.629 -1.183 1.00 26.47 C +ANISOU 158 CD LYS A 36 4085 2674 3297 1594 -1208 432 C +ATOM 159 CE LYS A 36 -6.844 13.245 -0.985 1.00 39.07 C +ANISOU 159 CE LYS A 36 5595 4054 5196 2852 -1446 -288 C +ATOM 160 NZ LYS A 36 -5.442 13.217 -1.459 1.00 52.34 N +ANISOU 160 NZ LYS A 36 6093 6940 6853 3225 139 262 N +ATOM 161 N LEU A 37 -10.435 15.248 -4.996 1.00 16.56 N +ANISOU 161 N LEU A 37 1776 2153 2362 234 -667 87 N +ATOM 162 CA ALEU A 37 -11.074 14.181 -5.722 0.80 16.88 C +ANISOU 162 CA ALEU A 37 1831 1934 2648 -14 -398 235 C +ATOM 163 CA BLEU A 37 -11.110 14.185 -5.745 0.20 16.62 C +ANISOU 163 CA BLEU A 37 1799 1959 2556 176 -500 142 C +ATOM 164 C LEU A 37 -10.994 14.398 -7.244 1.00 15.74 C +ANISOU 164 C LEU A 37 1624 1776 2579 410 -458 276 C +ATOM 165 O LEU A 37 -10.601 13.485 -8.004 1.00 19.03 O +ANISOU 165 O LEU A 37 2199 1965 3065 613 -96 124 O +ATOM 166 CB ALEU A 37 -12.517 14.074 -5.247 0.80 18.13 C +ANISOU 166 CB ALEU A 37 1970 2398 2519 334 -185 597 C +ATOM 167 CB BLEU A 37 -12.597 14.123 -5.389 0.20 17.04 C +ANISOU 167 CB BLEU A 37 1866 2205 2402 261 -397 220 C +ATOM 168 CG ALEU A 37 -13.303 12.825 -5.576 0.80 17.96 C +ANISOU 168 CG ALEU A 37 2511 1716 2595 809 -188 178 C +ATOM 169 CG BLEU A 37 -13.025 13.500 -4.072 0.20 17.30 C +ANISOU 169 CG BLEU A 37 2257 1997 2317 341 -390 115 C +ATOM 170 CD1ALEU A 37 -14.388 12.587 -4.514 0.80 21.75 C +ANISOU 170 CD1ALEU A 37 2453 2454 3353 -180 88 444 C +ATOM 171 CD1BLEU A 37 -14.530 13.288 -4.075 0.20 16.85 C +ANISOU 171 CD1BLEU A 37 2218 2209 1975 447 69 -123 C +ATOM 172 CD2ALEU A 37 -13.907 12.941 -6.965 0.80 18.88 C +ANISOU 172 CD2ALEU A 37 1945 2082 3143 855 -633 -19 C +ATOM 173 CD2BLEU A 37 -12.296 12.182 -3.898 0.20 17.49 C +ANISOU 173 CD2BLEU A 37 1993 1921 2730 271 -543 -70 C +ATOM 174 N LEU A 38 -11.366 15.583 -7.699 1.00 14.85 N +ANISOU 174 N LEU A 38 1563 1690 2387 118 -377 288 N +ATOM 175 CA LEU A 38 -11.334 15.871 -9.128 1.00 15.76 C +ANISOU 175 CA LEU A 38 1852 1779 2357 625 -83 332 C +ATOM 176 C LEU A 38 -9.913 15.810 -9.692 1.00 17.86 C +ANISOU 176 C LEU A 38 1736 2358 2690 269 -238 464 C +ATOM 177 O LEU A 38 -9.712 15.249 -10.771 1.00 19.22 O +ANISOU 177 O LEU A 38 2253 2563 2487 376 -146 245 O +ATOM 178 CB LEU A 38 -11.965 17.248 -9.413 1.00 17.36 C +ANISOU 178 CB LEU A 38 2438 1870 2286 779 -170 323 C +ATOM 179 CG LEU A 38 -13.399 17.427 -8.890 1.00 19.92 C +ANISOU 179 CG LEU A 38 2042 1979 3544 591 -579 -8 C +ATOM 180 CD1 LEU A 38 -13.897 18.828 -9.233 1.00 21.77 C +ANISOU 180 CD1 LEU A 38 2939 2158 3172 522 -1159 404 C +ATOM 181 CD2 LEU A 38 -14.403 16.354 -9.330 1.00 21.39 C +ANISOU 181 CD2 LEU A 38 2251 2679 3194 261 -545 -43 C +ATOM 182 N LYS A 39 -8.941 16.369 -8.958 1.00 17.27 N +ANISOU 182 N LYS A 39 1581 2306 2674 156 -43 373 N +ATOM 183 CA ALYS A 39 -7.535 16.370 -9.384 0.80 20.32 C +ANISOU 183 CA ALYS A 39 1440 2772 3506 495 -174 261 C +ATOM 184 CA BLYS A 39 -7.542 16.372 -9.384 0.20 19.02 C +ANISOU 184 CA BLYS A 39 1580 2574 3072 188 -14 383 C +ATOM 185 C LYS A 39 -7.005 14.948 -9.502 1.00 20.77 C +ANISOU 185 C LYS A 39 1914 2602 3373 333 143 357 C +ATOM 186 O LYS A 39 -6.138 14.674 -10.339 1.00 22.91 O +ANISOU 186 O LYS A 39 2043 3079 3581 432 259 210 O +ATOM 187 CB ALYS A 39 -6.664 17.118 -8.365 0.80 27.22 C +ANISOU 187 CB ALYS A 39 2285 3428 4626 -285 -185 -341 C +ATOM 188 CB BLYS A 39 -6.683 17.175 -8.399 0.20 22.26 C +ANISOU 188 CB BLYS A 39 1994 3168 3295 -426 -18 381 C +ATOM 189 CG ALYS A 39 -6.998 18.593 -8.197 0.80 35.34 C +ANISOU 189 CG ALYS A 39 3461 3801 6167 -15 679 -1196 C +ATOM 190 CG BLYS A 39 -6.841 18.687 -8.504 0.20 16.46 C +ANISOU 190 CG BLYS A 39 1947 2806 1499 -1308 515 897 C +ATOM 191 CD ALYS A 39 -6.122 19.481 -9.058 0.80 46.73 C +ANISOU 191 CD ALYS A 39 4811 5447 7497 -572 819 -31 C +ATOM 192 CD BLYS A 39 -5.676 19.332 -9.235 0.20 24.97 C +ANISOU 192 CD BLYS A 39 2380 5093 2014 -1995 41 1153 C +ATOM 193 CE ALYS A 39 -6.504 20.944 -8.911 0.80 50.95 C +ANISOU 193 CE ALYS A 39 5353 5818 8184 -311 -309 -1517 C +ATOM 194 CE BLYS A 39 -5.863 20.837 -9.350 0.20 32.23 C +ANISOU 194 CE BLYS A 39 3810 4860 3573 -391 -551 914 C +ATOM 195 NZ ALYS A 39 -5.934 21.539 -7.673 0.80 45.67 N +ANISOU 195 NZ ALYS A 39 4217 5853 7283 2315 -1128 -828 N +ATOM 196 NZ BLYS A 39 -7.231 21.202 -9.814 0.20 27.20 N +ANISOU 196 NZ BLYS A 39 4825 2698 2808 -90 -1194 1608 N +ATOM 197 N SER A 40 -7.510 14.045 -8.650 1.00 20.31 N +ANISOU 197 N SER A 40 2050 2341 3323 140 -514 432 N +ATOM 198 CA SER A 40 -7.035 12.661 -8.650 1.00 20.43 C +ANISOU 198 CA SER A 40 2383 2350 3031 379 222 402 C +ATOM 199 C SER A 40 -7.358 11.925 -9.970 1.00 21.56 C +ANISOU 199 C SER A 40 2307 2703 3182 991 99 -57 C +ATOM 200 O SER A 40 -6.747 10.895 -10.276 1.00 26.02 O +ANISOU 200 O SER A 40 2461 3246 4179 1445 863 112 O +ATOM 201 CB SER A 40 -7.577 11.860 -7.450 1.00 21.29 C +ANISOU 201 CB SER A 40 2237 2438 3414 635 92 1087 C +ATOM 202 OG SER A 40 -8.902 11.408 -7.660 1.00 22.40 O +ANISOU 202 OG SER A 40 2618 2577 3313 534 -4 481 O +ATOM 203 N VAL A 41 -8.320 12.450 -10.729 1.00 20.85 N +ANISOU 203 N VAL A 41 2360 3066 2493 256 72 457 N +ATOM 204 CA VAL A 41 -8.633 11.890 -12.054 1.00 22.32 C +ANISOU 204 CA VAL A 41 2144 3185 3151 63 -201 -32 C +ATOM 205 C VAL A 41 -8.337 12.882 -13.186 1.00 25.13 C +ANISOU 205 C VAL A 41 2499 3581 3466 305 -201 220 C +ATOM 206 O VAL A 41 -8.910 12.814 -14.273 1.00 29.35 O +ANISOU 206 O VAL A 41 3330 4044 3775 -2 -700 -206 O +ATOM 207 CB VAL A 41 -10.066 11.325 -12.141 1.00 20.54 C +ANISOU 207 CB VAL A 41 2322 2422 3058 -163 330 -92 C +ATOM 208 CG1 VAL A 41 -10.173 10.030 -11.340 1.00 21.52 C +ANISOU 208 CG1 VAL A 41 1818 2620 3736 -204 654 265 C +ATOM 209 CG2 VAL A 41 -11.087 12.354 -11.688 1.00 23.39 C +ANISOU 209 CG2 VAL A 41 1924 3372 3588 126 -3 -196 C +ATOM 210 N GLY A 42 -7.410 13.792 -12.921 1.00 22.53 N +ANISOU 210 N GLY A 42 2489 2776 3293 465 444 101 N +ATOM 211 CA GLY A 42 -6.778 14.567 -13.977 1.00 26.78 C +ANISOU 211 CA GLY A 42 3437 3456 3280 434 182 797 C +ATOM 212 C GLY A 42 -7.330 15.966 -14.175 1.00 28.06 C +ANISOU 212 C GLY A 42 2937 3446 4275 442 983 535 C +ATOM 213 O GLY A 42 -6.894 16.683 -15.081 1.00 29.01 O +ANISOU 213 O GLY A 42 3508 4133 3378 649 1013 604 O +ATOM 214 N ALA A 43 -8.254 16.396 -13.328 1.00 22.63 N +ANISOU 214 N ALA A 43 2120 3158 3320 131 393 766 N +ATOM 215 CA ALA A 43 -8.718 17.778 -13.451 1.00 26.76 C +ANISOU 215 CA ALA A 43 2737 3161 4268 193 656 756 C +ATOM 216 C ALA A 43 -7.592 18.747 -13.070 1.00 31.60 C +ANISOU 216 C ALA A 43 3305 4195 4504 -193 -148 985 C +ATOM 217 O ALA A 43 -6.753 18.439 -12.215 1.00 34.55 O +ANISOU 217 O ALA A 43 3433 5076 4615 -664 -544 732 O +ATOM 218 CB ALA A 43 -9.971 18.001 -12.625 1.00 24.13 C +ANISOU 218 CB ALA A 43 2563 2942 3662 357 421 895 C +ATOM 219 N GLN A 44 -7.539 19.900 -13.722 1.00 29.02 N +ANISOU 219 N GLN A 44 2507 3463 5054 275 1068 469 N +ATOM 220 CA GLN A 44 -6.370 20.783 -13.560 1.00 36.59 C +ANISOU 220 CA GLN A 44 3982 4096 5821 -670 1429 -273 C +ATOM 221 C GLN A 44 -6.634 22.220 -13.106 1.00 38.50 C +ANISOU 221 C GLN A 44 3455 3678 7494 213 323 287 C +ATOM 222 O GLN A 44 -5.698 23.010 -12.995 1.00 49.02 O +ANISOU 222 O GLN A 44 3009 5657 9957 -236 145 408 O +ATOM 223 CB GLN A 44 -5.545 20.792 -14.848 1.00 41.85 C +ANISOU 223 CB GLN A 44 4356 5111 6431 -2 2037 642 C +ATOM 224 CG GLN A 44 -4.759 19.512 -15.064 1.00 44.13 C +ANISOU 224 CG GLN A 44 4714 5952 6101 306 1851 -252 C +ATOM 225 CD GLN A 44 -3.743 19.664 -16.160 1.00 36.81 C +ANISOU 225 CD GLN A 44 4008 5994 3984 978 487 -134 C +ATOM 226 OE1 GLN A 44 -4.096 19.773 -17.343 1.00 50.75 O +ANISOU 226 OE1 GLN A 44 7044 8120 4117 -126 -15 1012 O +ATOM 227 NE2 GLN A 44 -2.467 19.680 -15.781 1.00 47.46 N +ANISOU 227 NE2 GLN A 44 4246 6085 7699 -356 17 -545 N +ATOM 228 N LYS A 45 -7.889 22.552 -12.833 1.00 33.17 N +ANISOU 228 N LYS A 45 3195 4080 5327 -271 588 410 N +ATOM 229 CA LYS A 45 -8.305 23.942 -12.588 1.00 29.68 C +ANISOU 229 CA LYS A 45 2900 3965 4409 -455 301 758 C +ATOM 230 C LYS A 45 -8.889 24.065 -11.184 1.00 28.42 C +ANISOU 230 C LYS A 45 2999 3346 4452 -210 230 786 C +ATOM 231 O LYS A 45 -9.115 23.053 -10.528 1.00 24.06 O +ANISOU 231 O LYS A 45 2254 3049 3838 78 -356 762 O +ATOM 232 CB LYS A 45 -9.380 24.342 -13.600 1.00 36.24 C +ANISOU 232 CB LYS A 45 4538 4767 4461 -115 295 2205 C +ATOM 233 CG LYS A 45 -8.996 24.188 -15.069 1.00 47.61 C +ANISOU 233 CG LYS A 45 6243 6848 4998 1015 -54 566 C +ATOM 234 CD LYS A 45 -10.193 24.471 -15.969 1.00 47.58 C +ANISOU 234 CD LYS A 45 7347 7074 3656 241 -824 -640 C +ATOM 235 CE LYS A 45 -11.296 23.436 -15.778 1.00 54.67 C +ANISOU 235 CE LYS A 45 7562 7231 5976 165 -901 -494 C +ATOM 236 NZ LYS A 45 -12.624 23.910 -16.255 1.00 53.09 N +ANISOU 236 NZ LYS A 45 6576 4874 8722 -368 692 905 N +ATOM 237 N ASP A 46 -9.156 25.298 -10.746 1.00 22.74 N +ANISOU 237 N ASP A 46 1776 3451 3410 -403 -182 290 N +ATOM 238 CA ASP A 46 -9.816 25.549 -9.469 1.00 22.20 C +ANISOU 238 CA ASP A 46 2133 2657 3643 -225 -304 331 C +ATOM 239 C ASP A 46 -11.323 25.763 -9.624 1.00 20.26 C +ANISOU 239 C ASP A 46 2049 2865 2781 -447 -609 1194 C +ATOM 240 O ASP A 46 -12.053 25.720 -8.632 1.00 21.43 O +ANISOU 240 O ASP A 46 2362 2615 3162 -634 -373 693 O +ATOM 241 CB ASP A 46 -9.221 26.800 -8.802 1.00 27.42 C +ANISOU 241 CB ASP A 46 2734 3165 4518 -862 -834 210 C +ATOM 242 CG ASP A 46 -7.786 26.592 -8.336 1.00 34.01 C +ANISOU 242 CG ASP A 46 2796 3390 6734 -470 -997 586 C +ATOM 243 OD1 ASP A 46 -7.444 25.474 -7.892 1.00 33.09 O +ANISOU 243 OD1 ASP A 46 2422 4588 5560 -202 -960 1587 O +ATOM 244 OD2 ASP A 46 -6.996 27.557 -8.405 1.00 43.70 O +ANISOU 244 OD2 ASP A 46 2779 5750 8072 -1718 -842 543 O +ATOM 245 N THR A 47 -11.781 26.071 -10.845 1.00 17.73 N +ANISOU 245 N THR A 47 1742 2510 2484 -311 -506 399 N +ATOM 246 CA THR A 47 -13.216 26.316 -11.078 1.00 15.76 C +ANISOU 246 CA THR A 47 1837 1811 2339 -328 -658 380 C +ATOM 247 C THR A 47 -13.683 25.483 -12.252 1.00 17.16 C +ANISOU 247 C THR A 47 2073 2099 2347 -338 -509 369 C +ATOM 248 O THR A 47 -12.905 25.234 -13.162 1.00 20.22 O +ANISOU 248 O THR A 47 2311 2482 2888 -44 129 712 O +ATOM 249 CB THR A 47 -13.522 27.801 -11.344 1.00 18.68 C +ANISOU 249 CB THR A 47 2611 1950 2534 -221 -480 689 C +ATOM 250 OG1 THR A 47 -12.814 28.268 -12.496 1.00 23.64 O +ANISOU 250 OG1 THR A 47 2992 2440 3548 -763 -141 946 O +ATOM 251 CG2 THR A 47 -13.095 28.643 -10.135 1.00 23.97 C +ANISOU 251 CG2 THR A 47 3695 2819 2591 -355 -900 357 C +ATOM 252 N TYR A 48 -14.947 25.046 -12.211 1.00 16.31 N +ANISOU 252 N TYR A 48 2019 1892 2283 -427 -676 537 N +ATOM 253 CA TYR A 48 -15.509 24.142 -13.216 1.00 15.12 C +ANISOU 253 CA TYR A 48 1959 1816 1969 133 -724 419 C +ATOM 254 C TYR A 48 -16.980 24.461 -13.392 1.00 14.39 C +ANISOU 254 C TYR A 48 1876 1721 1869 189 -464 463 C +ATOM 255 O TYR A 48 -17.618 24.954 -12.456 1.00 17.68 O +ANISOU 255 O TYR A 48 2049 2311 2356 206 -388 100 O +ATOM 256 CB TYR A 48 -15.462 22.705 -12.691 1.00 17.93 C +ANISOU 256 CB TYR A 48 2177 1753 2881 112 -524 375 C +ATOM 257 CG TYR A 48 -14.063 22.223 -12.426 1.00 22.80 C +ANISOU 257 CG TYR A 48 2134 2752 3777 21 -673 441 C +ATOM 258 CD1 TYR A 48 -13.458 22.436 -11.166 1.00 21.36 C +ANISOU 258 CD1 TYR A 48 2250 2451 3414 -255 -501 981 C +ATOM 259 CD2 TYR A 48 -13.331 21.600 -13.410 1.00 26.80 C +ANISOU 259 CD2 TYR A 48 1981 3103 5099 -4 -311 -116 C +ATOM 260 CE1 TYR A 48 -12.182 22.003 -10.899 1.00 24.00 C +ANISOU 260 CE1 TYR A 48 2320 2684 4114 -104 -444 505 C +ATOM 261 CE2 TYR A 48 -12.018 21.160 -13.152 1.00 27.16 C +ANISOU 261 CE2 TYR A 48 2566 3311 4440 697 -803 311 C +ATOM 262 CZ TYR A 48 -11.459 21.369 -11.909 1.00 25.51 C +ANISOU 262 CZ TYR A 48 2449 2766 4478 56 -283 82 C +ATOM 263 OH TYR A 48 -10.179 20.943 -11.641 1.00 28.46 O +ANISOU 263 OH TYR A 48 2644 4340 3829 503 -197 483 O +ATOM 264 N THR A 49 -17.571 24.105 -14.525 1.00 14.72 N +ANISOU 264 N THR A 49 1839 1746 2006 162 -531 486 N +ATOM 265 CA THR A 49 -19.054 24.098 -14.542 1.00 14.61 C +ANISOU 265 CA THR A 49 1886 2042 1623 245 -312 484 C +ATOM 266 C THR A 49 -19.559 22.870 -13.769 1.00 14.96 C +ANISOU 266 C THR A 49 2029 1780 1872 184 -301 331 C +ATOM 267 O THR A 49 -18.813 21.881 -13.564 1.00 14.38 O +ANISOU 267 O THR A 49 1777 1828 1858 228 -429 68 O +ATOM 268 CB THR A 49 -19.609 24.015 -15.960 1.00 17.21 C +ANISOU 268 CB THR A 49 2829 2054 1655 101 -511 274 C +ATOM 269 OG1 THR A 49 -19.184 22.772 -16.543 1.00 16.36 O +ANISOU 269 OG1 THR A 49 2464 2055 1697 70 -237 317 O +ATOM 270 CG2 THR A 49 -19.132 25.216 -16.808 1.00 21.46 C +ANISOU 270 CG2 THR A 49 2948 2580 2622 -113 -424 841 C +ATOM 271 N MET A 50 -20.827 22.893 -13.358 1.00 14.11 N +ANISOU 271 N MET A 50 2028 1920 1413 148 -364 342 N +ATOM 272 CA MET A 50 -21.381 21.712 -12.683 1.00 13.67 C +ANISOU 272 CA MET A 50 1897 1723 1571 9 -221 155 C +ATOM 273 C MET A 50 -21.291 20.468 -13.595 1.00 13.47 C +ANISOU 273 C MET A 50 1948 1716 1450 21 -341 193 C +ATOM 274 O MET A 50 -20.989 19.353 -13.127 1.00 14.75 O +ANISOU 274 O MET A 50 1818 1992 1793 323 -204 300 O +ATOM 275 CB MET A 50 -22.835 21.950 -12.203 1.00 15.30 C +ANISOU 275 CB MET A 50 1864 2217 1729 519 -489 -293 C +ATOM 276 CG MET A 50 -22.918 22.827 -10.954 1.00 18.31 C +ANISOU 276 CG MET A 50 2820 2453 1683 199 -544 -322 C +ATOM 277 SD MET A 50 -22.226 22.016 -9.473 1.00 19.54 S +ANISOU 277 SD MET A 50 2305 3052 2067 -629 -613 277 S +ATOM 278 CE MET A 50 -23.601 20.990 -8.957 1.00 17.17 C +ANISOU 278 CE MET A 50 1958 2319 2245 -435 -652 127 C +ATOM 279 N LYS A 51 -21.540 20.653 -14.902 1.00 14.69 N +ANISOU 279 N LYS A 51 2101 2075 1404 98 -272 -40 N +ATOM 280 CA ALYS A 51 -21.438 19.548 -15.839 0.50 15.78 C +ANISOU 280 CA ALYS A 51 2495 2051 1447 303 -191 -24 C +ATOM 281 CA BLYS A 51 -21.430 19.558 -15.856 0.50 16.14 C +ANISOU 281 CA BLYS A 51 2525 2066 1538 332 -203 -69 C +ATOM 282 C LYS A 51 -20.030 18.919 -15.810 1.00 16.15 C +ANISOU 282 C LYS A 51 2310 1996 1830 72 -569 36 C +ATOM 283 O LYS A 51 -19.888 17.686 -15.854 1.00 15.66 O +ANISOU 283 O LYS A 51 2458 1912 1578 119 0 276 O +ATOM 284 CB ALYS A 51 -21.839 19.987 -17.256 0.50 17.96 C +ANISOU 284 CB ALYS A 51 3086 2147 1590 413 -463 11 C +ATOM 285 CB BLYS A 51 -21.786 20.025 -17.279 0.50 19.05 C +ANISOU 285 CB BLYS A 51 3297 2220 1719 407 -590 -23 C +ATOM 286 CG ALYS A 51 -22.098 18.826 -18.209 0.50 20.04 C +ANISOU 286 CG ALYS A 51 3239 2627 1746 179 -534 -207 C +ATOM 287 CG BLYS A 51 -21.732 18.915 -18.324 0.50 22.99 C +ANISOU 287 CG BLYS A 51 3790 2664 2278 463 -561 -473 C +ATOM 288 CD ALYS A 51 -22.588 19.321 -19.564 0.50 25.57 C +ANISOU 288 CD ALYS A 51 3420 4305 1989 119 -1138 -130 C +ATOM 289 CD BLYS A 51 -22.379 19.328 -19.639 0.50 30.62 C +ANISOU 289 CD BLYS A 51 4244 4696 2692 -28 -1334 -320 C +ATOM 290 CE ALYS A 51 -22.693 18.168 -20.541 0.50 31.73 C +ANISOU 290 CE ALYS A 51 4733 4145 3178 265 -1168 -447 C +ATOM 291 CE BLYS A 51 -22.190 18.235 -20.677 0.50 39.41 C +ANISOU 291 CE BLYS A 51 5773 5032 4167 20 -1349 -1117 C +ATOM 292 NZ ALYS A 51 -23.177 18.626 -21.871 0.50 31.08 N +ANISOU 292 NZ ALYS A 51 4608 3958 3241 726 -1177 -399 N +ATOM 293 NZ BLYS A 51 -22.549 16.895 -20.131 0.50 40.66 N +ANISOU 293 NZ BLYS A 51 5817 4672 4959 160 -569 -1281 N +ATOM 294 N GLU A 52 -18.987 19.758 -15.755 1.00 14.80 N +ANISOU 294 N GLU A 52 1974 2066 1583 182 -212 71 N +ATOM 295 CA GLU A 52 -17.600 19.258 -15.634 1.00 16.60 C +ANISOU 295 CA GLU A 52 2109 2284 1915 119 -18 383 C +ATOM 296 C GLU A 52 -17.376 18.531 -14.312 1.00 14.00 C +ANISOU 296 C GLU A 52 1902 1900 1517 120 -160 -48 C +ATOM 297 O GLU A 52 -16.707 17.493 -14.271 1.00 14.90 O +ANISOU 297 O GLU A 52 2244 1903 1511 218 -126 429 O +ATOM 298 CB GLU A 52 -16.591 20.404 -15.804 1.00 16.15 C +ANISOU 298 CB GLU A 52 2405 2137 1591 -23 287 413 C +ATOM 299 CG GLU A 52 -16.484 20.903 -17.229 1.00 20.95 C +ANISOU 299 CG GLU A 52 3135 2901 1924 156 582 919 C +ATOM 300 CD GLU A 52 -15.692 22.195 -17.368 1.00 26.18 C +ANISOU 300 CD GLU A 52 4001 3361 2585 -498 970 347 C +ATOM 301 OE1 GLU A 52 -15.714 23.017 -16.441 1.00 23.79 O +ANISOU 301 OE1 GLU A 52 3655 3024 2360 -556 449 599 O +ATOM 302 OE2 GLU A 52 -15.068 22.409 -18.436 0.50 27.20 O +ANISOU 302 OE2 GLU A 52 4138 3198 2995 -1739 1307 450 O +ATOM 303 N VAL A 53 -17.917 19.079 -13.210 1.00 13.20 N +ANISOU 303 N VAL A 53 1951 1894 1169 29 -207 182 N +ATOM 304 CA VAL A 53 -17.792 18.386 -11.901 1.00 12.43 C +ANISOU 304 CA VAL A 53 1826 1557 1339 152 -193 259 C +ATOM 305 C VAL A 53 -18.381 16.981 -11.992 1.00 12.23 C +ANISOU 305 C VAL A 53 1700 1714 1233 159 -353 141 C +ATOM 306 O VAL A 53 -17.753 16.006 -11.556 1.00 13.36 O +ANISOU 306 O VAL A 53 1866 1557 1650 248 -288 160 O +ATOM 307 CB VAL A 53 -18.443 19.191 -10.752 1.00 12.85 C +ANISOU 307 CB VAL A 53 2051 1348 1481 45 -96 314 C +ATOM 308 CG1 VAL A 53 -18.390 18.383 -9.469 1.00 13.15 C +ANISOU 308 CG1 VAL A 53 1605 1885 1505 182 -370 521 C +ATOM 309 CG2 VAL A 53 -17.706 20.522 -10.552 1.00 13.54 C +ANISOU 309 CG2 VAL A 53 1692 1489 1963 33 -124 -81 C +ATOM 310 N LEU A 54 -19.561 16.862 -12.612 1.00 12.17 N +ANISOU 310 N LEU A 54 1592 1691 1341 -144 -318 79 N +ATOM 311 CA LEU A 54 -20.178 15.536 -12.774 1.00 14.04 C +ANISOU 311 CA LEU A 54 1779 1835 1721 -60 -571 -263 C +ATOM 312 C LEU A 54 -19.363 14.610 -13.652 1.00 15.18 C +ANISOU 312 C LEU A 54 1971 1911 1885 91 -147 132 C +ATOM 313 O LEU A 54 -19.278 13.405 -13.373 1.00 16.02 O +ANISOU 313 O LEU A 54 2276 1731 2078 368 -572 -14 O +ATOM 314 CB LEU A 54 -21.606 15.693 -13.328 1.00 13.90 C +ANISOU 314 CB LEU A 54 1752 1856 1670 118 -519 221 C +ATOM 315 CG LEU A 54 -22.710 15.828 -12.277 1.00 14.83 C +ANISOU 315 CG LEU A 54 2440 1458 1733 -285 -30 -34 C +ATOM 316 CD1 LEU A 54 -22.787 14.614 -11.326 1.00 14.86 C +ANISOU 316 CD1 LEU A 54 2395 1606 1643 -167 -473 49 C +ATOM 317 CD2 LEU A 54 -22.487 17.114 -11.509 1.00 15.87 C +ANISOU 317 CD2 LEU A 54 2592 1486 1950 -163 16 -106 C +ATOM 318 N PHE A 55 -18.751 15.157 -14.712 1.00 15.46 N +ANISOU 318 N PHE A 55 2096 1931 1847 113 -132 145 N +ATOM 319 CA PHE A 55 -17.897 14.332 -15.573 1.00 15.52 C +ANISOU 319 CA PHE A 55 1828 2242 1826 111 -23 283 C +ATOM 320 C PHE A 55 -16.752 13.736 -14.759 1.00 16.22 C +ANISOU 320 C PHE A 55 2347 2005 1811 246 -344 -47 C +ATOM 321 O PHE A 55 -16.466 12.540 -14.820 1.00 18.75 O +ANISOU 321 O PHE A 55 2960 2153 2010 691 -353 234 O +ATOM 322 CB PHE A 55 -17.333 15.181 -16.707 1.00 17.06 C +ANISOU 322 CB PHE A 55 2378 2438 1666 263 181 196 C +ATOM 323 CG PHE A 55 -16.285 14.473 -17.502 1.00 21.18 C +ANISOU 323 CG PHE A 55 2933 3096 2017 847 222 -44 C +ATOM 324 CD1 PHE A 55 -16.650 13.545 -18.469 1.00 26.81 C +ANISOU 324 CD1 PHE A 55 4191 3190 2803 1062 -4 -261 C +ATOM 325 CD2 PHE A 55 -14.929 14.681 -17.228 1.00 22.41 C +ANISOU 325 CD2 PHE A 55 2958 3211 2345 594 259 457 C +ATOM 326 CE1 PHE A 55 -15.678 12.859 -19.186 1.00 29.79 C +ANISOU 326 CE1 PHE A 55 4320 3688 3310 1197 416 -295 C +ATOM 327 CE2 PHE A 55 -13.957 13.997 -17.933 1.00 27.78 C +ANISOU 327 CE2 PHE A 55 3775 3297 3483 857 72 -428 C +ATOM 328 CZ PHE A 55 -14.335 13.094 -18.922 1.00 32.42 C +ANISOU 328 CZ PHE A 55 4527 4330 3459 984 756 -1250 C +ATOM 329 N TYR A 56 -16.064 14.580 -14.009 1.00 14.56 N +ANISOU 329 N TYR A 56 2028 2087 1415 223 -338 10 N +ATOM 330 CA TYR A 56 -14.920 14.060 -13.228 1.00 16.29 C +ANISOU 330 CA TYR A 56 2032 2074 2083 1 -461 183 C +ATOM 331 C TYR A 56 -15.326 13.149 -12.075 1.00 16.29 C +ANISOU 331 C TYR A 56 2257 1846 2084 392 -163 51 C +ATOM 332 O TYR A 56 -14.615 12.185 -11.784 1.00 15.02 O +ANISOU 332 O TYR A 56 1969 1535 2201 219 141 185 O +ATOM 333 CB TYR A 56 -14.063 15.216 -12.730 1.00 16.34 C +ANISOU 333 CB TYR A 56 2024 2124 2061 -256 -124 251 C +ATOM 334 CG TYR A 56 -13.246 15.850 -13.847 1.00 19.35 C +ANISOU 334 CG TYR A 56 2283 2439 2630 -105 409 448 C +ATOM 335 CD1 TYR A 56 -12.200 15.154 -14.457 1.00 23.33 C +ANISOU 335 CD1 TYR A 56 2833 2864 3165 348 433 113 C +ATOM 336 CD2 TYR A 56 -13.506 17.160 -14.268 1.00 18.97 C +ANISOU 336 CD2 TYR A 56 2538 2251 2416 -404 71 391 C +ATOM 337 CE1 TYR A 56 -11.438 15.739 -15.466 1.00 26.23 C +ANISOU 337 CE1 TYR A 56 2883 3579 3502 179 553 109 C +ATOM 338 CE2 TYR A 56 -12.759 17.741 -15.284 1.00 24.67 C +ANISOU 338 CE2 TYR A 56 3133 3561 2680 -149 785 302 C +ATOM 339 CZ TYR A 56 -11.732 17.026 -15.874 1.00 28.60 C +ANISOU 339 CZ TYR A 56 3486 3827 3551 -169 1143 576 C +ATOM 340 OH TYR A 56 -11.005 17.631 -16.859 1.00 33.24 O +ANISOU 340 OH TYR A 56 3913 4345 4370 -276 1504 1118 O +ATOM 341 N LEU A 57 -16.448 13.446 -11.411 1.00 13.76 N +ANISOU 341 N LEU A 57 1938 1701 1590 71 -292 78 N +ATOM 342 CA ALEU A 57 -16.943 12.529 -10.365 0.80 13.84 C +ANISOU 342 CA ALEU A 57 2047 1508 1702 288 43 -12 C +ATOM 343 CA BLEU A 57 -16.987 12.565 -10.385 0.20 13.71 C +ANISOU 343 CA BLEU A 57 1990 1575 1642 256 -93 21 C +ATOM 344 C LEU A 57 -17.272 11.197 -11.002 1.00 13.42 C +ANISOU 344 C LEU A 57 1963 1569 1567 472 -176 -21 C +ATOM 345 O LEU A 57 -16.991 10.183 -10.428 1.00 13.47 O +ANISOU 345 O LEU A 57 1899 1587 1629 403 -104 49 O +ATOM 346 CB ALEU A 57 -18.195 13.045 -9.658 0.80 16.48 C +ANISOU 346 CB ALEU A 57 1849 2163 2247 217 27 -291 C +ATOM 347 CB BLEU A 57 -18.270 13.164 -9.812 0.20 14.24 C +ANISOU 347 CB BLEU A 57 1966 1703 1741 196 -57 -48 C +ATOM 348 CG ALEU A 57 -18.016 14.137 -8.621 0.80 14.32 C +ANISOU 348 CG ALEU A 57 1431 2086 1920 222 -246 -67 C +ATOM 349 CG BLEU A 57 -18.811 12.546 -8.530 0.20 13.28 C +ANISOU 349 CG BLEU A 57 2009 1306 1731 331 -128 17 C +ATOM 350 CD1ALEU A 57 -19.365 14.744 -8.217 0.80 16.63 C +ANISOU 350 CD1ALEU A 57 2066 1964 2289 578 250 -93 C +ATOM 351 CD1BLEU A 57 -17.685 12.314 -7.544 0.20 14.50 C +ANISOU 351 CD1BLEU A 57 2148 1524 1834 214 -274 26 C +ATOM 352 CD2ALEU A 57 -17.309 13.555 -7.407 0.80 19.69 C +ANISOU 352 CD2ALEU A 57 3185 2661 1635 391 -667 -112 C +ATOM 353 CD2BLEU A 57 -19.873 13.451 -7.923 0.20 12.64 C +ANISOU 353 CD2BLEU A 57 1739 1213 1850 278 -404 -92 C +ATOM 354 N GLY A 58 -17.881 11.195 -12.188 1.00 14.25 N +ANISOU 354 N GLY A 58 2266 1724 1421 390 -272 -38 N +ATOM 355 CA GLY A 58 -18.175 9.933 -12.879 1.00 15.10 C +ANISOU 355 CA GLY A 58 2042 2026 1668 226 -169 -245 C +ATOM 356 C GLY A 58 -16.906 9.176 -13.180 1.00 15.09 C +ANISOU 356 C GLY A 58 2244 1684 1805 327 -76 -64 C +ATOM 357 O GLY A 58 -16.863 7.962 -12.974 1.00 15.91 O +ANISOU 357 O GLY A 58 2495 1585 1964 415 -407 -203 O +ATOM 358 N GLN A 59 -15.856 9.885 -13.623 1.00 15.83 N +ANISOU 358 N GLN A 59 2242 1907 1865 391 -62 -56 N +ATOM 359 CA AGLN A 59 -14.567 9.246 -13.901 0.50 16.61 C +ANISOU 359 CA AGLN A 59 2078 2114 2118 276 22 175 C +ATOM 360 CA BGLN A 59 -14.541 9.277 -13.898 0.50 16.52 C +ANISOU 360 CA BGLN A 59 2074 2063 2140 265 -8 154 C +ATOM 361 C GLN A 59 -13.975 8.634 -12.629 1.00 16.89 C +ANISOU 361 C GLN A 59 2344 1956 2115 591 -58 -76 C +ATOM 362 O GLN A 59 -13.421 7.525 -12.653 1.00 17.86 O +ANISOU 362 O GLN A 59 2601 1885 2298 612 396 142 O +ATOM 363 CB AGLN A 59 -13.613 10.255 -14.540 0.50 22.46 C +ANISOU 363 CB AGLN A 59 2962 2877 2694 -112 623 422 C +ATOM 364 CB BGLN A 59 -13.555 10.336 -14.412 0.50 21.05 C +ANISOU 364 CB BGLN A 59 2646 2601 2749 -85 479 215 C +ATOM 365 CG AGLN A 59 -13.878 10.422 -16.025 0.50 27.61 C +ANISOU 365 CG AGLN A 59 3793 4098 2599 -358 861 -7 C +ATOM 366 CG BGLN A 59 -13.759 10.778 -15.854 0.50 25.33 C +ANISOU 366 CG BGLN A 59 3674 3139 2809 -125 146 -7 C +ATOM 367 CD AGLN A 59 -13.336 9.251 -16.816 0.50 33.08 C +ANISOU 367 CD AGLN A 59 4991 4549 3028 42 594 -633 C +ATOM 368 CD BGLN A 59 -12.461 11.274 -16.472 0.50 30.06 C +ANISOU 368 CD BGLN A 59 4121 3463 3838 -527 706 -262 C +ATOM 369 OE1AGLN A 59 -12.158 9.222 -17.163 0.50 39.26 O +ANISOU 369 OE1AGLN A 59 5124 5515 4276 235 781 -1721 O +ATOM 370 OE1BGLN A 59 -11.679 11.971 -15.820 0.50 35.52 O +ANISOU 370 OE1BGLN A 59 5006 4224 4265 -500 -331 -352 O +ATOM 371 NE2AGLN A 59 -14.189 8.274 -17.096 0.50 35.18 N +ANISOU 371 NE2AGLN A 59 4693 5743 2930 -347 886 -641 N +ATOM 372 NE2BGLN A 59 -12.219 10.908 -17.728 0.50 31.89 N +ANISOU 372 NE2BGLN A 59 4543 3794 3777 400 -1077 -1160 N +ATOM 373 N TYR A 60 -14.111 9.349 -11.517 1.00 16.08 N +ANISOU 373 N TYR A 60 2232 2124 1753 306 63 51 N +ATOM 374 CA TYR A 60 -13.626 8.859 -10.232 1.00 14.67 C +ANISOU 374 CA TYR A 60 1945 1832 1794 259 -207 -170 C +ATOM 375 C TYR A 60 -14.342 7.568 -9.804 1.00 16.46 C +ANISOU 375 C TYR A 60 1931 1926 2396 471 -272 136 C +ATOM 376 O TYR A 60 -13.697 6.572 -9.389 1.00 16.83 O +ANISOU 376 O TYR A 60 2274 2089 2031 587 -375 205 O +ATOM 377 CB TYR A 60 -13.809 9.966 -9.211 1.00 14.37 C +ANISOU 377 CB TYR A 60 2128 1362 1969 397 -482 -92 C +ATOM 378 CG TYR A 60 -13.387 9.609 -7.799 1.00 15.32 C +ANISOU 378 CG TYR A 60 1927 1769 2122 549 -480 183 C +ATOM 379 CD1 TYR A 60 -12.071 9.792 -7.383 1.00 15.79 C +ANISOU 379 CD1 TYR A 60 1841 1867 2290 430 -428 156 C +ATOM 380 CD2 TYR A 60 -14.314 9.102 -6.870 1.00 16.61 C +ANISOU 380 CD2 TYR A 60 2314 1742 2255 594 -310 266 C +ATOM 381 CE1 TYR A 60 -11.672 9.489 -6.075 1.00 16.07 C +ANISOU 381 CE1 TYR A 60 1954 1810 2339 154 -661 181 C +ATOM 382 CE2 TYR A 60 -13.924 8.789 -5.567 1.00 17.80 C +ANISOU 382 CE2 TYR A 60 2249 2078 2433 401 -767 172 C +ATOM 383 CZ TYR A 60 -12.595 8.982 -5.180 1.00 17.14 C +ANISOU 383 CZ TYR A 60 2164 1858 2491 151 -575 -16 C +ATOM 384 OH TYR A 60 -12.199 8.670 -3.896 1.00 19.94 O +ANISOU 384 OH TYR A 60 2251 2282 3040 28 -1042 260 O +ATOM 385 N ILE A 61 -15.674 7.569 -9.915 1.00 14.03 N +ANISOU 385 N ILE A 61 1777 1593 1957 175 -98 29 N +ATOM 386 CA ILE A 61 -16.456 6.356 -9.618 1.00 12.84 C +ANISOU 386 CA ILE A 61 1641 1440 1796 285 -317 9 C +ATOM 387 C ILE A 61 -16.059 5.165 -10.485 1.00 15.20 C +ANISOU 387 C ILE A 61 2313 1563 1899 405 -125 -11 C +ATOM 388 O ILE A 61 -15.937 4.027 -10.009 1.00 18.05 O +ANISOU 388 O ILE A 61 2814 1904 2137 800 -235 256 O +ATOM 389 CB ILE A 61 -17.969 6.691 -9.788 1.00 13.26 C +ANISOU 389 CB ILE A 61 1530 1412 2096 316 -242 -12 C +ATOM 390 CG1 ILE A 61 -18.430 7.590 -8.639 1.00 15.01 C +ANISOU 390 CG1 ILE A 61 2017 1437 2247 617 -196 29 C +ATOM 391 CG2 ILE A 61 -18.851 5.432 -9.960 1.00 14.62 C +ANISOU 391 CG2 ILE A 61 2056 1471 2028 90 -241 185 C +ATOM 392 CD1 ILE A 61 -19.742 8.318 -8.929 1.00 14.67 C +ANISOU 392 CD1 ILE A 61 1773 1715 2087 648 204 201 C +ATOM 393 N MET A 62 -15.818 5.407 -11.764 1.00 16.49 N +ANISOU 393 N MET A 62 2466 1834 1964 274 -33 -308 N +ATOM 394 CA MET A 62 -15.409 4.306 -12.649 1.00 16.93 C +ANISOU 394 CA MET A 62 2717 1896 1817 785 203 -91 C +ATOM 395 C MET A 62 -14.000 3.792 -12.353 1.00 19.20 C +ANISOU 395 C MET A 62 2879 1753 2664 928 101 -189 C +ATOM 396 O MET A 62 -13.768 2.577 -12.364 1.00 24.13 O +ANISOU 396 O MET A 62 3851 1797 3518 1257 -183 -228 O +ATOM 397 CB MET A 62 -15.533 4.726 -14.136 1.00 18.01 C +ANISOU 397 CB MET A 62 2898 2115 1828 955 -102 -109 C +ATOM 398 CG MET A 62 -16.932 5.133 -14.589 1.00 19.50 C +ANISOU 398 CG MET A 62 2893 1847 2666 363 -573 161 C +ATOM 399 SD MET A 62 -18.184 3.903 -14.223 1.00 22.09 S +ANISOU 399 SD MET A 62 3149 2313 2930 189 4 -46 S +ATOM 400 CE MET A 62 -17.679 2.577 -15.326 1.00 27.05 C +ANISOU 400 CE MET A 62 4079 2362 3835 -901 -616 -1322 C +ATOM 401 N THR A 63 -13.067 4.717 -12.093 1.00 20.09 N +ANISOU 401 N THR A 63 2461 2210 2961 791 117 29 N +ATOM 402 CA THR A 63 -11.663 4.405 -11.797 1.00 23.17 C +ANISOU 402 CA THR A 63 2864 2302 3635 1066 -275 453 C +ATOM 403 C THR A 63 -11.544 3.603 -10.508 1.00 23.62 C +ANISOU 403 C THR A 63 3217 2441 3313 1198 -106 278 C +ATOM 404 O THR A 63 -10.791 2.621 -10.455 1.00 27.28 O +ANISOU 404 O THR A 63 3342 2841 4181 1525 43 550 O +ATOM 405 CB THR A 63 -10.803 5.704 -11.716 1.00 25.07 C +ANISOU 405 CB THR A 63 2627 3021 3877 483 -254 360 C +ATOM 406 OG1 THR A 63 -10.809 6.342 -12.998 1.00 29.29 O +ANISOU 406 OG1 THR A 63 3226 3413 4489 -41 174 668 O +ATOM 407 CG2 THR A 63 -9.360 5.423 -11.332 1.00 32.50 C +ANISOU 407 CG2 THR A 63 2955 3674 5718 995 -330 758 C +ATOM 408 N LYS A 64 -12.298 3.998 -9.484 1.00 22.91 N +ANISOU 408 N LYS A 64 2718 2620 3365 632 33 397 N +ATOM 409 CA LYS A 64 -12.250 3.308 -8.193 1.00 22.69 C +ANISOU 409 CA LYS A 64 2380 2604 3634 919 -535 474 C +ATOM 410 C LYS A 64 -13.254 2.155 -8.085 1.00 24.11 C +ANISOU 410 C LYS A 64 3415 2239 3507 629 -428 161 C +ATOM 411 O LYS A 64 -13.351 1.489 -7.033 1.00 23.48 O +ANISOU 411 O LYS A 64 3096 2146 3677 853 -300 427 O +ATOM 412 CB LYS A 64 -12.454 4.288 -7.044 1.00 24.23 C +ANISOU 412 CB LYS A 64 2669 2629 3905 482 -786 213 C +ATOM 413 CG LYS A 64 -11.319 5.278 -6.906 1.00 27.70 C +ANISOU 413 CG LYS A 64 3098 3089 4336 -65 -391 22 C +ATOM 414 CD LYS A 64 -11.369 5.913 -5.546 1.00 30.06 C +ANISOU 414 CD LYS A 64 3760 3493 4168 452 -1117 -35 C +ATOM 415 CE LYS A 64 -10.432 5.268 -4.549 1.00 30.71 C +ANISOU 415 CE LYS A 64 2683 3977 5008 1332 -890 -508 C +ATOM 416 NZ LYS A 64 -10.377 6.203 -3.384 1.00 30.44 N +ANISOU 416 NZ LYS A 64 2493 3995 5078 520 -929 -638 N +ATOM 417 N ARG A 65 -13.981 1.919 -9.168 1.00 20.28 N +ANISOU 417 N ARG A 65 2992 1980 2733 848 94 -3 N +ATOM 418 CA ARG A 65 -14.936 0.795 -9.240 1.00 23.07 C +ANISOU 418 CA ARG A 65 3978 1821 2963 826 45 -149 C +ATOM 419 C ARG A 65 -15.971 0.846 -8.101 1.00 21.86 C +ANISOU 419 C ARG A 65 3539 1844 2921 1158 -206 184 C +ATOM 420 O ARG A 65 -16.259 -0.158 -7.454 1.00 22.60 O +ANISOU 420 O ARG A 65 3718 1970 2897 767 -105 90 O +ATOM 421 CB ARG A 65 -14.188 -0.565 -9.310 1.00 26.46 C +ANISOU 421 CB ARG A 65 3971 2171 3910 1174 384 149 C +ATOM 422 CG ARG A 65 -13.310 -0.709 -10.552 1.00 31.62 C +ANISOU 422 CG ARG A 65 4639 2847 4526 1238 772 -690 C +ATOM 423 CD ARG A 65 -13.025 -2.172 -10.861 0.50 34.39 C +ANISOU 423 CD ARG A 65 5260 3522 4284 2382 883 -1168 C +ATOM 424 NE ARG A 65 -11.811 -2.646 -10.210 0.50 48.05 N +ANISOU 424 NE ARG A 65 5670 5163 7422 1175 -1062 -782 N +ATOM 425 CZ ARG A 65 -11.370 -3.899 -10.287 0.50 52.27 C +ANISOU 425 CZ ARG A 65 7271 5508 7080 1789 -703 -1399 C +ATOM 426 NH1 ARG A 65 -12.053 -4.800 -10.981 0.50 53.80 N +ANISOU 426 NH1 ARG A 65 6732 4659 9047 723 -622 -362 N +ATOM 427 NH2 ARG A 65 -10.253 -4.252 -9.669 0.50 57.07 N +ANISOU 427 NH2 ARG A 65 7837 5859 7987 420 -2027 -733 N +ATOM 428 N LEU A 66 -16.568 2.026 -7.899 1.00 19.58 N +ANISOU 428 N LEU A 66 3316 1729 2393 859 -282 -39 N +ATOM 429 CA LEU A 66 -17.564 2.217 -6.852 1.00 15.96 C +ANISOU 429 CA LEU A 66 2596 1459 2009 525 -547 -341 C +ATOM 430 C LEU A 66 -18.941 1.808 -7.371 1.00 17.95 C +ANISOU 430 C LEU A 66 2784 2281 1754 543 -954 -39 C +ATOM 431 O LEU A 66 -19.939 1.920 -6.663 1.00 21.37 O +ANISOU 431 O LEU A 66 2939 2809 2369 -176 -674 -980 O +ATOM 432 CB LEU A 66 -17.580 3.691 -6.334 1.00 16.49 C +ANISOU 432 CB LEU A 66 2614 1161 2487 32 -766 25 C +ATOM 433 CG LEU A 66 -16.209 4.221 -5.858 1.00 16.00 C +ANISOU 433 CG LEU A 66 2440 1496 2141 214 -885 88 C +ATOM 434 CD1 LEU A 66 -16.339 5.660 -5.345 1.00 18.27 C +ANISOU 434 CD1 LEU A 66 2952 1914 2074 446 -479 -351 C +ATOM 435 CD2 LEU A 66 -15.674 3.276 -4.787 1.00 17.28 C +ANISOU 435 CD2 LEU A 66 2456 1631 2475 641 -914 72 C +ATOM 436 N TYR A 67 -18.996 1.400 -8.641 1.00 20.02 N +ANISOU 436 N TYR A 67 3142 2087 2375 659 -1008 -912 N +ATOM 437 CA TYR A 67 -20.209 0.799 -9.227 1.00 20.32 C +ANISOU 437 CA TYR A 67 3519 1937 2263 -104 -671 -478 C +ATOM 438 C TYR A 67 -20.465 -0.660 -8.739 1.00 21.05 C +ANISOU 438 C TYR A 67 3371 1913 2714 516 -686 -211 C +ATOM 439 O TYR A 67 -19.565 -1.302 -8.178 1.00 26.68 O +ANISOU 439 O TYR A 67 4605 2252 3279 1189 -1428 -832 O +ATOM 440 CB TYR A 67 -20.136 0.891 -10.757 1.00 20.67 C +ANISOU 440 CB TYR A 67 3548 1916 2390 663 -798 -199 C +ATOM 441 CG TYR A 67 -18.927 0.229 -11.390 1.00 22.02 C +ANISOU 441 CG TYR A 67 3598 2236 2531 794 -1081 -177 C +ATOM 442 CD1 TYR A 67 -18.889 -1.158 -11.571 1.00 22.55 C +ANISOU 442 CD1 TYR A 67 3062 2226 3279 1180 -1155 -750 C +ATOM 443 CD2 TYR A 67 -17.853 0.977 -11.841 1.00 24.01 C +ANISOU 443 CD2 TYR A 67 3562 2523 3037 730 -450 2 C +ATOM 444 CE1 TYR A 67 -17.804 -1.777 -12.158 1.00 26.76 C +ANISOU 444 CE1 TYR A 67 3576 3301 3290 631 -822 -1900 C +ATOM 445 CE2 TYR A 67 -16.749 0.355 -12.443 1.00 31.02 C +ANISOU 445 CE2 TYR A 67 4358 2974 4454 689 148 -719 C +ATOM 446 CZ TYR A 67 -16.744 -1.021 -12.604 1.00 26.64 C +ANISOU 446 CZ TYR A 67 3962 2826 3333 1129 -376 -471 C +ATOM 447 OH TYR A 67 -15.684 -1.695 -13.181 1.00 33.31 O +ANISOU 447 OH TYR A 67 4358 4941 3355 1515 -567 -968 O +ATOM 448 N ASP A 68 -21.681 -1.176 -8.977 1.00 23.68 N +ANISOU 448 N ASP A 68 4166 1926 2902 115 -975 -441 N +ATOM 449 CA ASP A 68 -22.049 -2.567 -8.656 1.00 26.24 C +ANISOU 449 CA ASP A 68 4985 2171 2813 -127 -609 -260 C +ATOM 450 C ASP A 68 -22.565 -3.220 -9.909 1.00 21.14 C +ANISOU 450 C ASP A 68 4024 1487 2519 487 -390 -315 C +ATOM 451 O ASP A 68 -23.507 -2.711 -10.473 1.00 23.87 O +ANISOU 451 O ASP A 68 3685 2105 3279 701 -648 -803 O +ATOM 452 CB ASP A 68 -23.194 -2.643 -7.624 1.00 27.35 C +ANISOU 452 CB ASP A 68 5136 2699 2556 612 -643 -34 C +ATOM 453 CG ASP A 68 -23.656 -4.095 -7.381 1.00 28.91 C +ANISOU 453 CG ASP A 68 4378 3680 2924 167 -172 1498 C +ATOM 454 OD1 ASP A 68 -22.810 -4.920 -6.969 0.50 29.10 O +ANISOU 454 OD1 ASP A 68 6490 2135 2429 1394 1085 1135 O +ATOM 455 OD2 ASP A 68 -24.843 -4.431 -7.596 0.50 31.73 O +ANISOU 455 OD2 ASP A 68 5345 2281 4428 -910 -1486 554 O +ATOM 456 N ALA A 69 -21.973 -4.334 -10.356 1.00 20.92 N +ANISOU 456 N ALA A 69 4309 1504 2136 325 -208 -234 N +ATOM 457 CA ALA A 69 -22.403 -4.944 -11.636 1.00 22.12 C +ANISOU 457 CA ALA A 69 4228 1638 2537 587 -232 -843 C +ATOM 458 C ALA A 69 -23.878 -5.384 -11.702 1.00 24.70 C +ANISOU 458 C ALA A 69 4382 2144 2858 600 -430 -374 C +ATOM 459 O ALA A 69 -24.543 -5.262 -12.775 1.00 29.92 O +ANISOU 459 O ALA A 69 5421 2941 3004 -389 -770 -462 O +ATOM 460 CB ALA A 69 -21.497 -6.123 -11.976 1.00 27.17 C +ANISOU 460 CB ALA A 69 4281 2370 3671 913 323 -1072 C +ATOM 461 N ALA A 70 -24.398 -5.900 -10.584 1.00 26.18 N +ANISOU 461 N ALA A 70 4615 1549 3783 77 737 -867 N +ATOM 462 CA ALA A 70 -25.763 -6.488 -10.600 1.00 23.96 C +ANISOU 462 CA ALA A 70 4699 2160 2245 -41 -730 -170 C +ATOM 463 C ALA A 70 -26.882 -5.450 -10.470 1.00 24.64 C +ANISOU 463 C ALA A 70 4618 2860 1883 226 -639 -169 C +ATOM 464 O ALA A 70 -27.924 -5.597 -11.104 1.00 31.81 O +ANISOU 464 O ALA A 70 5009 3496 3582 528 -977 -1001 O +ATOM 465 CB ALA A 70 -25.901 -7.587 -9.548 1.00 28.26 C +ANISOU 465 CB ALA A 70 4670 2837 3230 -57 241 504 C +ATOM 466 N GLN A 71 -26.648 -4.397 -9.679 1.00 27.52 N +ANISOU 466 N GLN A 71 5126 1746 3584 -307 1023 -144 N +ATOM 467 CA GLN A 71 -27.596 -3.313 -9.530 1.00 23.82 C +ANISOU 467 CA GLN A 71 3924 2035 3090 -391 -363 -180 C +ATOM 468 C GLN A 71 -26.814 -2.001 -9.779 1.00 21.82 C +ANISOU 468 C GLN A 71 4194 1619 2478 51 -312 293 C +ATOM 469 O GLN A 71 -26.339 -1.283 -8.854 1.00 21.85 O +ANISOU 469 O GLN A 71 3917 2424 1960 143 -185 272 O +ATOM 470 CB GLN A 71 -28.248 -3.349 -8.142 1.00 34.25 C +ANISOU 470 CB GLN A 71 5823 3563 3626 560 606 -461 C +ATOM 471 CG GLN A 71 -29.470 -2.440 -7.994 1.00 27.96 C +ANISOU 471 CG GLN A 71 4805 2594 3224 -446 593 -199 C +ATOM 472 CD GLN A 71 -30.317 -2.816 -6.787 1.00 36.46 C +ANISOU 472 CD GLN A 71 4884 5458 3509 -1300 -11 1338 C +ATOM 473 OE1 GLN A 71 -31.549 -2.749 -6.838 1.00 39.21 O +ANISOU 473 OE1 GLN A 71 4770 5783 4345 -292 -139 -29 O +ATOM 474 NE2 GLN A 71 -29.660 -3.206 -5.694 1.00 27.43 N +ANISOU 474 NE2 GLN A 71 3592 2979 3850 -892 -538 -149 N +ATOM 475 N GLN A 72 -26.679 -1.712 -11.064 1.00 18.12 N +ANISOU 475 N GLN A 72 3284 1375 2224 -29 -210 -122 N +ATOM 476 CA GLN A 72 -25.805 -0.675 -11.530 1.00 20.42 C +ANISOU 476 CA GLN A 72 4170 1572 2015 -461 -165 -435 C +ATOM 477 C GLN A 72 -26.204 0.718 -11.130 1.00 18.32 C +ANISOU 477 C GLN A 72 3137 1653 2168 -236 -474 -528 C +ATOM 478 O GLN A 72 -25.353 1.620 -11.166 1.00 18.89 O +ANISOU 478 O GLN A 72 3258 1789 2129 -378 -712 -220 O +ATOM 479 CB GLN A 72 -25.806 -0.725 -13.052 1.00 20.88 C +ANISOU 479 CB GLN A 72 3650 2365 1915 -214 -290 -757 C +ATOM 480 CG GLN A 72 -24.930 -1.823 -13.491 1.00 27.09 C +ANISOU 480 CG GLN A 72 4169 4069 2055 542 -238 -1078 C +ATOM 481 CD GLN A 72 -24.862 -1.876 -14.986 1.00 20.01 C +ANISOU 481 CD GLN A 72 2677 3060 1867 408 -744 -451 C +ATOM 482 OE1 GLN A 72 -24.706 -0.850 -15.682 1.00 18.80 O +ANISOU 482 OE1 GLN A 72 2202 2994 1945 683 -620 -561 O +ATOM 483 NE2 GLN A 72 -24.962 -3.062 -15.480 1.00 20.84 N +ANISOU 483 NE2 GLN A 72 2295 2931 2692 -263 -177 -371 N +ATOM 484 N HIS A 73 -27.467 0.898 -10.733 1.00 17.02 N +ANISOU 484 N HIS A 73 3161 1443 1862 -158 -859 -393 N +ATOM 485 CA HIS A 73 -27.967 2.238 -10.419 1.00 16.27 C +ANISOU 485 CA HIS A 73 2652 1468 2059 -46 -935 -206 C +ATOM 486 C HIS A 73 -27.558 2.762 -9.071 1.00 14.57 C +ANISOU 486 C HIS A 73 2313 1411 1811 -132 -746 82 C +ATOM 487 O HIS A 73 -27.869 3.912 -8.748 1.00 15.51 O +ANISOU 487 O HIS A 73 2853 1455 1583 -137 -796 3 O +ATOM 488 CB HIS A 73 -29.494 2.352 -10.637 1.00 20.23 C +ANISOU 488 CB HIS A 73 2566 2588 2532 -326 -986 -1 C +ATOM 489 CG HIS A 73 -30.325 1.984 -9.435 1.00 18.02 C +ANISOU 489 CG HIS A 73 2817 1764 2263 -623 -967 -586 C +ATOM 490 ND1 HIS A 73 -30.735 0.701 -9.187 1.00 22.87 N +ANISOU 490 ND1 HIS A 73 3261 2164 3264 -968 -239 -350 N +ATOM 491 CD2 HIS A 73 -30.843 2.773 -8.405 1.00 16.23 C +ANISOU 491 CD2 HIS A 73 2448 1822 1894 -349 -640 -13 C +ATOM 492 CE1 HIS A 73 -31.467 0.686 -8.050 1.00 25.89 C +ANISOU 492 CE1 HIS A 73 3474 2759 3602 -874 -102 -262 C +ATOM 493 NE2 HIS A 73 -31.521 1.954 -7.567 1.00 23.21 N +ANISOU 493 NE2 HIS A 73 3345 2201 3271 -821 -304 300 N +ATOM 494 N ILE A 74 -26.862 1.941 -8.274 1.00 13.68 N +ANISOU 494 N ILE A 74 2425 1315 1456 -85 -778 -49 N +ATOM 495 CA ILE A 74 -26.412 2.372 -6.920 1.00 13.35 C +ANISOU 495 CA ILE A 74 2553 941 1578 19 -726 -234 C +ATOM 496 C ILE A 74 -24.900 2.455 -6.887 1.00 14.64 C +ANISOU 496 C ILE A 74 2657 1338 1565 78 -613 -47 C +ATOM 497 O ILE A 74 -24.221 1.482 -7.265 1.00 16.13 O +ANISOU 497 O ILE A 74 2519 1609 1998 207 -519 -303 O +ATOM 498 CB ILE A 74 -26.932 1.435 -5.803 1.00 14.77 C +ANISOU 498 CB ILE A 74 2485 1520 1607 -93 -774 -118 C +ATOM 499 CG1 ILE A 74 -28.469 1.325 -5.878 1.00 17.92 C +ANISOU 499 CG1 ILE A 74 2570 1774 2464 -126 -164 131 C +ATOM 500 CG2 ILE A 74 -26.420 1.885 -4.443 1.00 14.95 C +ANISOU 500 CG2 ILE A 74 2842 1342 1494 132 -694 -74 C +ATOM 501 CD1 ILE A 74 -29.062 0.269 -4.976 1.00 24.06 C +ANISOU 501 CD1 ILE A 74 3516 2583 3040 -1192 -292 381 C +ATOM 502 N VAL A 75 -24.381 3.606 -6.462 1.00 14.11 N +ANISOU 502 N VAL A 75 2287 1496 1577 -138 -576 233 N +ATOM 503 CA VAL A 75 -22.950 3.793 -6.231 1.00 13.66 C +ANISOU 503 CA VAL A 75 2165 1437 1586 -30 -588 47 C +ATOM 504 C VAL A 75 -22.680 3.519 -4.756 1.00 13.20 C +ANISOU 504 C VAL A 75 2053 1251 1709 379 -561 -61 C +ATOM 505 O VAL A 75 -23.403 4.006 -3.892 1.00 15.17 O +ANISOU 505 O VAL A 75 2698 1562 1503 325 -443 -101 O +ATOM 506 CB VAL A 75 -22.533 5.239 -6.620 1.00 15.13 C +ANISOU 506 CB VAL A 75 2349 1846 1554 -417 -529 246 C +ATOM 507 CG1 VAL A 75 -21.123 5.558 -6.112 1.00 15.29 C +ANISOU 507 CG1 VAL A 75 2219 1739 1851 -234 -687 208 C +ATOM 508 CG2 VAL A 75 -22.655 5.435 -8.141 1.00 18.88 C +ANISOU 508 CG2 VAL A 75 2591 3076 1504 -163 -784 177 C +ATOM 509 N TYR A 76 -21.638 2.734 -4.494 1.00 11.99 N +ANISOU 509 N TYR A 76 2133 1031 1391 302 -983 69 N +ATOM 510 CA TYR A 76 -21.221 2.385 -3.156 1.00 11.81 C +ANISOU 510 CA TYR A 76 2292 972 1220 114 -825 -49 C +ATOM 511 C TYR A 76 -19.930 3.112 -2.789 1.00 14.91 C +ANISOU 511 C TYR A 76 2316 1416 1933 23 -613 -69 C +ATOM 512 O TYR A 76 -18.860 2.823 -3.347 1.00 18.23 O +ANISOU 512 O TYR A 76 2400 2319 2204 -18 -341 -452 O +ATOM 513 CB TYR A 76 -21.059 0.852 -3.093 1.00 15.72 C +ANISOU 513 CB TYR A 76 2802 979 2190 131 -865 130 C +ATOM 514 CG TYR A 76 -22.388 0.162 -3.225 1.00 16.34 C +ANISOU 514 CG TYR A 76 2921 1369 1919 77 -694 -161 C +ATOM 515 CD1 TYR A 76 -22.895 -0.212 -4.484 1.00 17.33 C +ANISOU 515 CD1 TYR A 76 2951 1246 2386 194 -1111 -334 C +ATOM 516 CD2 TYR A 76 -23.188 -0.039 -2.099 1.00 17.43 C +ANISOU 516 CD2 TYR A 76 2808 1571 2243 268 -586 253 C +ATOM 517 CE1 TYR A 76 -24.127 -0.820 -4.585 1.00 18.07 C +ANISOU 517 CE1 TYR A 76 2918 1221 2727 175 -491 -183 C +ATOM 518 CE2 TYR A 76 -24.432 -0.639 -2.198 1.00 18.56 C +ANISOU 518 CE2 TYR A 76 3010 1598 2443 100 -514 -270 C +ATOM 519 CZ TYR A 76 -24.912 -0.981 -3.440 1.00 17.70 C +ANISOU 519 CZ TYR A 76 3260 984 2478 -375 -675 -125 C +ATOM 520 OH TYR A 76 -26.158 -1.565 -3.537 1.00 20.37 O +ANISOU 520 OH TYR A 76 3070 1413 3255 -198 -1464 -368 O +ATOM 521 N CYS A 77 -20.028 4.040 -1.841 1.00 15.82 N +ANISOU 521 N CYS A 77 2615 1517 1878 -184 -714 -94 N +ATOM 522 CA CYS A 77 -18.931 4.955 -1.533 1.00 14.86 C +ANISOU 522 CA CYS A 77 2364 1342 1937 4 -575 -221 C +ATOM 523 C CYS A 77 -18.537 4.960 -0.053 1.00 16.39 C +ANISOU 523 C CYS A 77 2710 1456 2060 -54 -694 -73 C +ATOM 524 O CYS A 77 -17.921 5.914 0.414 1.00 18.38 O +ANISOU 524 O CYS A 77 2971 1266 2744 126 -1071 -304 O +ATOM 525 CB CYS A 77 -19.265 6.370 -2.027 1.00 15.87 C +ANISOU 525 CB CYS A 77 2293 1598 2138 -134 -694 167 C +ATOM 526 SG CYS A 77 -20.893 6.969 -1.532 1.00 16.49 S +ANISOU 526 SG CYS A 77 2678 1571 2014 -122 -466 93 S +ATOM 527 N SER A 78 -18.871 3.893 0.677 1.00 17.72 N +ANISOU 527 N SER A 78 3275 1428 2026 113 -673 16 N +ATOM 528 CA ASER A 78 -18.465 3.780 2.073 0.50 20.01 C +ANISOU 528 CA ASER A 78 3718 1592 2290 -310 -1099 228 C +ATOM 529 CA BSER A 78 -18.467 3.737 2.079 0.50 20.73 C +ANISOU 529 CA BSER A 78 3733 1783 2359 -345 -1170 341 C +ATOM 530 C SER A 78 -16.934 3.634 2.138 1.00 22.15 C +ANISOU 530 C SER A 78 3850 1847 2717 -20 -1014 278 C +ATOM 531 O SER A 78 -16.298 3.086 1.211 1.00 27.74 O +ANISOU 531 O SER A 78 3617 2681 4241 642 -574 245 O +ATOM 532 CB ASER A 78 -19.146 2.573 2.703 0.50 22.23 C +ANISOU 532 CB ASER A 78 4755 2262 1427 -763 -1300 520 C +ATOM 533 CB BSER A 78 -19.141 2.494 2.702 0.50 26.68 C +ANISOU 533 CB BSER A 78 4930 2324 2880 -976 -1477 787 C +ATOM 534 OG ASER A 78 -18.658 1.427 2.060 0.50 23.99 O +ANISOU 534 OG ASER A 78 3852 1605 3657 -672 -954 862 O +ATOM 535 OG BSER A 78 -19.215 2.576 4.123 0.50 29.11 O +ANISOU 535 OG BSER A 78 4423 3762 2872 -848 -1838 1860 O +ATOM 536 N ASN A 79 -16.324 4.145 3.198 1.00 24.79 N +ANISOU 536 N ASN A 79 4076 2690 2651 -445 -1348 1043 N +ATOM 537 CA ASN A 79 -14.856 4.069 3.314 1.00 26.09 C +ANISOU 537 CA ASN A 79 4008 2834 3069 127 -1118 626 C +ATOM 538 C ASN A 79 -14.099 4.685 2.136 1.00 27.24 C +ANISOU 538 C ASN A 79 4063 2723 3562 455 -1022 1190 C +ATOM 539 O ASN A 79 -13.000 4.238 1.774 1.00 28.62 O +ANISOU 539 O ASN A 79 4290 2735 3850 450 -681 1801 O +ATOM 540 CB ASN A 79 -14.418 2.617 3.499 1.00 29.79 C +ANISOU 540 CB ASN A 79 4166 3091 4059 152 -878 1557 C +ATOM 541 CG ASN A 79 -14.801 2.069 4.856 1.00 32.67 C +ANISOU 541 CG ASN A 79 4718 4131 3565 609 -640 1133 C +ATOM 542 OD1 ASN A 79 -14.939 0.869 5.023 1.00 38.45 O +ANISOU 542 OD1 ASN A 79 5561 4109 4939 328 372 670 O +ATOM 543 ND2 ASN A 79 -14.983 2.957 5.834 1.00 38.42 N +ANISOU 543 ND2 ASN A 79 6733 4376 3487 -1012 -863 682 N +ATOM 544 N ASP A 80 -14.712 5.690 1.519 1.00 22.58 N +ANISOU 544 N ASP A 80 3879 1766 2932 278 -562 692 N +ATOM 545 CA ASP A 80 -14.081 6.437 0.446 1.00 19.78 C +ANISOU 545 CA ASP A 80 2797 1937 2779 -53 -1014 688 C +ATOM 546 C ASP A 80 -14.285 7.924 0.710 1.00 19.05 C +ANISOU 546 C ASP A 80 2710 2127 2399 257 -917 508 C +ATOM 547 O ASP A 80 -15.301 8.324 1.308 1.00 18.93 O +ANISOU 547 O ASP A 80 2662 1808 2721 333 -996 533 O +ATOM 548 CB ASP A 80 -14.696 6.041 -0.896 1.00 20.37 C +ANISOU 548 CB ASP A 80 2918 2198 2623 -87 -528 212 C +ATOM 549 CG ASP A 80 -13.897 6.577 -2.080 1.00 21.34 C +ANISOU 549 CG ASP A 80 3104 2099 2904 260 -332 319 C +ATOM 550 OD1 ASP A 80 -13.058 5.828 -2.599 1.00 23.73 O +ANISOU 550 OD1 ASP A 80 2848 2586 3582 614 31 658 O +ATOM 551 OD2 ASP A 80 -14.088 7.747 -2.454 1.00 21.93 O +ANISOU 551 OD2 ASP A 80 3127 2293 2910 265 -783 654 O +ATOM 552 N LEU A 81 -13.326 8.746 0.289 1.00 19.99 N +ANISOU 552 N LEU A 81 2877 1754 2964 39 -1287 653 N +ATOM 553 CA LEU A 81 -13.499 10.214 0.393 1.00 20.55 C +ANISOU 553 CA LEU A 81 2669 1805 3332 -12 -1143 656 C +ATOM 554 C LEU A 81 -14.852 10.651 -0.139 1.00 17.26 C +ANISOU 554 C LEU A 81 2379 1957 2220 -50 -732 169 C +ATOM 555 O LEU A 81 -15.494 11.509 0.445 1.00 18.28 O +ANISOU 555 O LEU A 81 2154 1892 2898 148 -851 291 O +ATOM 556 CB LEU A 81 -12.389 10.975 -0.352 1.00 21.57 C +ANISOU 556 CB LEU A 81 1940 2095 4160 54 -722 472 C +ATOM 557 CG LEU A 81 -12.421 12.518 -0.302 1.00 24.33 C +ANISOU 557 CG LEU A 81 2770 2204 4268 389 -726 701 C +ATOM 558 CD1 LEU A 81 -12.406 13.031 1.119 1.00 26.74 C +ANISOU 558 CD1 LEU A 81 3220 2517 4420 -4 -1081 -305 C +ATOM 559 CD2 LEU A 81 -11.242 13.088 -1.055 1.00 28.45 C +ANISOU 559 CD2 LEU A 81 2151 3186 5472 342 -527 598 C +ATOM 560 N LEU A 82 -15.302 10.026 -1.223 1.00 14.83 N +ANISOU 560 N LEU A 82 1952 1383 2298 -4 -883 202 N +ATOM 561 CA LEU A 82 -16.596 10.436 -1.818 1.00 14.98 C +ANISOU 561 CA LEU A 82 2028 1492 2169 89 -873 192 C +ATOM 562 C LEU A 82 -17.738 10.280 -0.820 1.00 15.04 C +ANISOU 562 C LEU A 82 2382 1424 1906 70 -701 201 C +ATOM 563 O LEU A 82 -18.598 11.164 -0.707 1.00 15.06 O +ANISOU 563 O LEU A 82 2302 1543 1873 114 -865 -14 O +ATOM 564 CB LEU A 82 -16.912 9.658 -3.108 1.00 12.91 C +ANISOU 564 CB LEU A 82 1548 1646 1708 143 -626 284 C +ATOM 565 CG LEU A 82 -18.230 10.005 -3.793 1.00 13.76 C +ANISOU 565 CG LEU A 82 1851 1427 1949 354 -809 287 C +ATOM 566 CD1 LEU A 82 -18.331 11.492 -4.103 1.00 14.36 C +ANISOU 566 CD1 LEU A 82 2235 1473 1748 445 -233 475 C +ATOM 567 CD2 LEU A 82 -18.438 9.158 -5.033 1.00 18.48 C +ANISOU 567 CD2 LEU A 82 2735 2224 2060 272 -408 -223 C +ATOM 568 N GLY A 83 -17.770 9.150 -0.111 1.00 14.64 N +ANISOU 568 N GLY A 83 2376 1548 1636 -82 -812 260 N +ATOM 569 CA GLY A 83 -18.803 8.969 0.942 1.00 16.19 C +ANISOU 569 CA GLY A 83 2778 1321 2050 -75 -374 20 C +ATOM 570 C GLY A 83 -18.697 9.963 2.096 1.00 17.03 C +ANISOU 570 C GLY A 83 2719 1787 1965 -40 -733 -58 C +ATOM 571 O GLY A 83 -19.717 10.415 2.621 1.00 17.32 O +ANISOU 571 O GLY A 83 2939 1704 1935 10 -558 -123 O +ATOM 572 N ASP A 84 -17.483 10.345 2.481 1.00 15.65 N +ANISOU 572 N ASP A 84 2870 1354 1721 162 -1016 233 N +ATOM 573 CA ASP A 84 -17.344 11.371 3.537 1.00 17.85 C +ANISOU 573 CA ASP A 84 3044 1408 2328 -64 -1349 34 C +ATOM 574 C ASP A 84 -17.897 12.720 3.055 1.00 17.36 C +ANISOU 574 C ASP A 84 2853 1786 1955 284 -761 277 C +ATOM 575 O ASP A 84 -18.555 13.442 3.812 1.00 19.45 O +ANISOU 575 O ASP A 84 3341 1998 2050 232 -749 -203 O +ATOM 576 CB ASP A 84 -15.879 11.530 3.981 1.00 20.71 C +ANISOU 576 CB ASP A 84 2882 1917 3070 -40 -1501 435 C +ATOM 577 CG ASP A 84 -15.271 10.247 4.563 1.00 26.17 C +ANISOU 577 CG ASP A 84 3766 2151 4026 330 -1305 686 C +ATOM 578 OD1 ASP A 84 -16.004 9.340 5.039 0.50 23.74 O +ANISOU 578 OD1 ASP A 84 4590 1929 2501 -178 -2106 767 O +ATOM 579 OD2 ASP A 84 -14.029 10.172 4.541 0.50 28.13 O +ANISOU 579 OD2 ASP A 84 3394 2062 5229 127 -3050 144 O +ATOM 580 N LEU A 85 -17.641 13.056 1.793 1.00 15.39 N +ANISOU 580 N LEU A 85 2415 1613 1817 73 -1139 454 N +ATOM 581 CA LEU A 85 -18.120 14.344 1.226 1.00 15.37 C +ANISOU 581 CA LEU A 85 2465 1356 2016 2 -680 364 C +ATOM 582 C LEU A 85 -19.637 14.381 1.005 1.00 15.74 C +ANISOU 582 C LEU A 85 2474 1493 2014 -23 -560 -133 C +ATOM 583 O LEU A 85 -20.271 15.391 1.230 1.00 14.88 O +ANISOU 583 O LEU A 85 2367 1315 1970 -146 -485 154 O +ATOM 584 CB LEU A 85 -17.406 14.633 -0.082 1.00 16.72 C +ANISOU 584 CB LEU A 85 2113 1782 2457 -16 -568 552 C +ATOM 585 CG LEU A 85 -15.884 14.826 0.086 1.00 18.12 C +ANISOU 585 CG LEU A 85 2085 2388 2410 -203 -650 219 C +ATOM 586 CD1 LEU A 85 -15.345 15.247 -1.271 1.00 20.19 C +ANISOU 586 CD1 LEU A 85 2474 2542 2655 674 -132 696 C +ATOM 587 CD2 LEU A 85 -15.455 15.834 1.171 1.00 20.90 C +ANISOU 587 CD2 LEU A 85 2754 2546 2640 -17 -931 88 C +ATOM 588 N PHE A 86 -20.204 13.273 0.509 1.00 14.45 N +ANISOU 588 N PHE A 86 2324 1302 1863 -84 -796 194 N +ATOM 589 CA PHE A 86 -21.632 13.176 0.282 1.00 15.31 C +ANISOU 589 CA PHE A 86 2453 1672 1688 -375 -556 55 C +ATOM 590 C PHE A 86 -22.423 12.845 1.561 1.00 17.39 C +ANISOU 590 C PHE A 86 2927 1893 1784 -457 -517 255 C +ATOM 591 O PHE A 86 -23.637 13.079 1.611 1.00 17.93 O +ANISOU 591 O PHE A 86 3063 2006 1743 190 -208 -238 O +ATOM 592 CB PHE A 86 -21.905 12.136 -0.789 1.00 14.38 C +ANISOU 592 CB PHE A 86 2206 1837 1417 -80 -689 7 C +ATOM 593 CG PHE A 86 -21.776 12.655 -2.217 1.00 13.84 C +ANISOU 593 CG PHE A 86 2211 1490 1558 240 -648 184 C +ATOM 594 CD1 PHE A 86 -21.137 13.866 -2.510 1.00 16.23 C +ANISOU 594 CD1 PHE A 86 2431 1752 1982 264 -395 497 C +ATOM 595 CD2 PHE A 86 -22.303 11.916 -3.270 1.00 15.03 C +ANISOU 595 CD2 PHE A 86 2236 1706 1768 85 -504 -98 C +ATOM 596 CE1 PHE A 86 -21.052 14.340 -3.829 1.00 13.83 C +ANISOU 596 CE1 PHE A 86 1983 1666 1603 302 -315 60 C +ATOM 597 CE2 PHE A 86 -22.209 12.372 -4.581 1.00 14.97 C +ANISOU 597 CE2 PHE A 86 2168 1552 1968 1 -381 156 C +ATOM 598 CZ PHE A 86 -21.582 13.588 -4.865 1.00 14.18 C +ANISOU 598 CZ PHE A 86 2064 1475 1848 74 -244 39 C +ATOM 599 N GLY A 87 -21.735 12.308 2.579 1.00 16.12 N +ANISOU 599 N GLY A 87 3097 1459 1566 -84 -581 -232 N +ATOM 600 CA GLY A 87 -22.375 12.011 3.861 1.00 17.82 C +ANISOU 600 CA GLY A 87 3235 1528 2007 -235 -320 -151 C +ATOM 601 C GLY A 87 -23.225 10.765 3.843 1.00 18.28 C +ANISOU 601 C GLY A 87 3323 1583 2037 -287 -48 -247 C +ATOM 602 O GLY A 87 -24.099 10.608 4.714 1.00 20.48 O +ANISOU 602 O GLY A 87 3571 2216 1993 -467 52 -412 O +ATOM 603 N VAL A 88 -22.968 9.885 2.863 1.00 15.30 N +ANISOU 603 N VAL A 88 2845 1381 1584 -508 -353 -116 N +ATOM 604 CA VAL A 88 -23.773 8.627 2.687 1.00 13.90 C +ANISOU 604 CA VAL A 88 2806 1051 1423 -227 -520 -207 C +ATOM 605 C VAL A 88 -22.862 7.467 2.278 1.00 14.17 C +ANISOU 605 C VAL A 88 2904 1236 1242 76 -353 275 C +ATOM 606 O VAL A 88 -21.812 7.707 1.661 1.00 17.48 O +ANISOU 606 O VAL A 88 2916 1515 2207 -267 -316 -74 O +ATOM 607 CB VAL A 88 -24.909 8.766 1.611 1.00 15.42 C +ANISOU 607 CB VAL A 88 2593 1790 1473 24 -374 66 C +ATOM 608 CG1 VAL A 88 -25.978 9.778 2.033 1.00 20.38 C +ANISOU 608 CG1 VAL A 88 3263 1990 2489 142 -292 -736 C +ATOM 609 CG2 VAL A 88 -24.345 9.158 0.245 1.00 18.44 C +ANISOU 609 CG2 VAL A 88 3145 1911 1950 -407 -4 438 C +ATOM 610 N PRO A 89 -23.236 6.209 2.615 1.00 15.13 N +ANISOU 610 N PRO A 89 2791 1389 1566 -267 -265 -2 N +ATOM 611 CA PRO A 89 -22.436 5.043 2.184 1.00 15.49 C +ANISOU 611 CA PRO A 89 2935 1210 1740 -321 -460 -21 C +ATOM 612 C PRO A 89 -22.804 4.568 0.779 1.00 15.11 C +ANISOU 612 C PRO A 89 2787 1368 1583 12 -580 194 C +ATOM 613 O PRO A 89 -22.081 3.756 0.195 1.00 16.75 O +ANISOU 613 O PRO A 89 2676 1715 1972 -217 -470 190 O +ATOM 614 CB PRO A 89 -22.800 3.975 3.215 1.00 18.14 C +ANISOU 614 CB PRO A 89 3443 1309 2140 -158 -415 237 C +ATOM 615 CG PRO A 89 -24.224 4.327 3.571 1.00 17.94 C +ANISOU 615 CG PRO A 89 3368 1292 2155 -224 33 226 C +ATOM 616 CD PRO A 89 -24.244 5.838 3.626 1.00 17.86 C +ANISOU 616 CD PRO A 89 3362 1327 2095 -621 35 189 C +ATOM 617 N SER A 90 -23.917 5.073 0.241 1.00 14.72 N +ANISOU 617 N SER A 90 2649 1480 1463 -101 -656 -55 N +ATOM 618 CA SER A 90 -24.379 4.691 -1.109 1.00 13.69 C +ANISOU 618 CA SER A 90 2678 1181 1339 -178 -790 307 C +ATOM 619 C SER A 90 -25.396 5.712 -1.570 1.00 14.31 C +ANISOU 619 C SER A 90 2429 1386 1621 -68 -367 275 C +ATOM 620 O SER A 90 -25.974 6.422 -0.746 1.00 16.30 O +ANISOU 620 O SER A 90 2893 1604 1695 -14 -511 -149 O +ATOM 621 CB SER A 90 -25.051 3.287 -1.118 1.00 15.82 C +ANISOU 621 CB SER A 90 2822 1178 2009 -107 -353 251 C +ATOM 622 OG SER A 90 -26.282 3.288 -0.361 1.00 18.72 O +ANISOU 622 OG SER A 90 2880 1657 2574 -334 -486 276 O +ATOM 623 N PHE A 91 -25.619 5.782 -2.883 1.00 14.24 N +ANISOU 623 N PHE A 91 2462 1218 1731 81 -574 329 N +ATOM 624 CA PHE A 91 -26.649 6.671 -3.406 1.00 13.29 C +ANISOU 624 CA PHE A 91 2160 1326 1563 61 -578 116 C +ATOM 625 C PHE A 91 -27.108 6.195 -4.758 1.00 13.41 C +ANISOU 625 C PHE A 91 2030 1408 1657 -41 -401 -159 C +ATOM 626 O PHE A 91 -26.366 5.498 -5.494 1.00 13.72 O +ANISOU 626 O PHE A 91 2062 1199 1951 164 -337 -171 O +ATOM 627 CB PHE A 91 -26.201 8.166 -3.479 1.00 13.47 C +ANISOU 627 CB PHE A 91 2288 1277 1551 90 -389 -190 C +ATOM 628 CG PHE A 91 -25.031 8.432 -4.388 1.00 13.00 C +ANISOU 628 CG PHE A 91 2279 1167 1490 61 -431 161 C +ATOM 629 CD1 PHE A 91 -25.219 8.774 -5.754 1.00 13.71 C +ANISOU 629 CD1 PHE A 91 2702 1164 1343 187 -335 -169 C +ATOM 630 CD2 PHE A 91 -23.720 8.328 -3.900 1.00 15.66 C +ANISOU 630 CD2 PHE A 91 2300 1445 2203 216 -429 9 C +ATOM 631 CE1 PHE A 91 -24.124 9.017 -6.574 1.00 14.41 C +ANISOU 631 CE1 PHE A 91 2175 1372 1928 367 -447 -302 C +ATOM 632 CE2 PHE A 91 -22.625 8.605 -4.717 1.00 14.94 C +ANISOU 632 CE2 PHE A 91 2226 1470 1977 81 -343 -155 C +ATOM 633 CZ PHE A 91 -22.827 8.944 -6.062 1.00 15.42 C +ANISOU 633 CZ PHE A 91 2309 1518 2031 188 -581 -216 C +ATOM 634 N SER A 92 -28.341 6.552 -5.091 1.00 13.72 N +ANISOU 634 N SER A 92 2075 1454 1684 292 -341 -150 N +ATOM 635 CA SER A 92 -28.888 6.206 -6.420 1.00 15.10 C +ANISOU 635 CA SER A 92 2279 1638 1820 -69 -651 78 C +ATOM 636 C SER A 92 -28.495 7.225 -7.498 1.00 15.76 C +ANISOU 636 C SER A 92 2373 1744 1871 142 -177 -71 C +ATOM 637 O SER A 92 -28.685 8.445 -7.323 1.00 15.61 O +ANISOU 637 O SER A 92 2362 1731 1836 15 -288 -226 O +ATOM 638 CB SER A 92 -30.411 6.121 -6.352 1.00 18.24 C +ANISOU 638 CB SER A 92 2181 2475 2274 -122 -675 140 C +ATOM 639 OG SER A 92 -30.934 6.040 -7.673 1.00 17.75 O +ANISOU 639 OG SER A 92 2749 1732 2263 -418 -724 25 O +ATOM 640 N VAL A 93 -27.988 6.728 -8.624 1.00 13.61 N +ANISOU 640 N VAL A 93 2035 1668 1468 -64 -553 -44 N +ATOM 641 CA VAL A 93 -27.641 7.599 -9.764 1.00 13.38 C +ANISOU 641 CA VAL A 93 2108 1333 1641 -13 -528 -61 C +ATOM 642 C VAL A 93 -28.853 8.228 -10.450 1.00 14.84 C +ANISOU 642 C VAL A 93 2291 1463 1884 132 -586 -170 C +ATOM 643 O VAL A 93 -28.687 9.187 -11.224 1.00 17.10 O +ANISOU 643 O VAL A 93 2539 1854 2103 298 -449 126 O +ATOM 644 CB VAL A 93 -26.827 6.821 -10.839 1.00 13.45 C +ANISOU 644 CB VAL A 93 1719 1621 1771 -7 -598 -208 C +ATOM 645 CG1 VAL A 93 -25.540 6.232 -10.223 1.00 17.67 C +ANISOU 645 CG1 VAL A 93 2456 2346 1909 425 -852 231 C +ATOM 646 CG2 VAL A 93 -27.711 5.761 -11.552 1.00 14.97 C +ANISOU 646 CG2 VAL A 93 2338 1503 1848 -73 -681 -319 C +ATOM 647 N LYS A 94 -30.056 7.701 -10.171 1.00 15.50 N +ANISOU 647 N LYS A 94 2090 1574 2226 184 -730 -248 N +ATOM 648 CA LYS A 94 -31.319 8.179 -10.783 1.00 16.46 C +ANISOU 648 CA LYS A 94 2006 1811 2436 293 -583 -63 C +ATOM 649 C LYS A 94 -31.775 9.537 -10.262 1.00 17.56 C +ANISOU 649 C LYS A 94 2446 1838 2385 137 -792 -282 C +ATOM 650 O LYS A 94 -32.550 10.236 -10.931 1.00 20.59 O +ANISOU 650 O LYS A 94 2455 2138 3226 248 -705 155 O +ATOM 651 CB LYS A 94 -32.454 7.152 -10.604 1.00 21.65 C +ANISOU 651 CB LYS A 94 2619 2033 3571 -179 -1220 -285 C +ATOM 652 CG LYS A 94 -32.159 5.748 -11.130 1.00 29.65 C +ANISOU 652 CG LYS A 94 3444 2469 5351 507 -1902 -976 C +ATOM 653 CD LYS A 94 -33.346 4.808 -10.913 1.00 41.63 C +ANISOU 653 CD LYS A 94 4693 3981 7144 -716 -2529 -1126 C +ATOM 654 CE LYS A 94 -33.164 3.456 -11.602 1.00 43.68 C +ANISOU 654 CE LYS A 94 5783 4069 6741 1662 -3316 -799 C +ATOM 655 NZ LYS A 94 -33.112 3.547 -13.097 0.50 46.50 N +ANISOU 655 NZ LYS A 94 8149 2909 6608 4006 -5758 -1762 N +ATOM 656 N GLU A 95 -31.274 9.896 -9.083 1.00 15.63 N +ANISOU 656 N GLU A 95 2317 1496 2124 118 -379 -73 N +ATOM 657 CA AGLU A 95 -31.741 11.049 -8.316 0.50 16.75 C +ANISOU 657 CA AGLU A 95 2505 1552 2305 -124 90 -91 C +ATOM 658 CA BGLU A 95 -31.772 11.063 -8.359 0.50 17.30 C +ANISOU 658 CA BGLU A 95 2613 1542 2416 -159 135 -148 C +ATOM 659 C GLU A 95 -30.867 12.271 -8.600 1.00 14.34 C +ANISOU 659 C GLU A 95 1978 1476 1994 32 -375 203 C +ATOM 660 O GLU A 95 -30.044 12.669 -7.742 1.00 15.58 O +ANISOU 660 O GLU A 95 2422 1455 2042 -27 -224 -43 O +ATOM 661 CB AGLU A 95 -31.679 10.704 -6.820 0.50 18.93 C +ANISOU 661 CB AGLU A 95 2681 2065 2443 -689 49 281 C +ATOM 662 CB BGLU A 95 -31.912 10.725 -6.872 0.50 21.65 C +ANISOU 662 CB BGLU A 95 3156 2472 2596 -748 90 289 C +ATOM 663 CG AGLU A 95 -32.551 9.525 -6.402 0.50 20.54 C +ANISOU 663 CG AGLU A 95 2690 1665 3447 -401 -117 535 C +ATOM 664 CG BGLU A 95 -32.982 9.672 -6.594 0.50 26.24 C +ANISOU 664 CG BGLU A 95 3659 2174 4133 -932 21 5 C +ATOM 665 CD AGLU A 95 -34.030 9.835 -6.513 0.50 23.57 C +ANISOU 665 CD AGLU A 95 2538 2288 4127 -513 -10 143 C +ATOM 666 CD BGLU A 95 -33.057 9.296 -5.134 0.50 33.65 C +ANISOU 666 CD BGLU A 95 4974 3586 4224 -451 541 230 C +ATOM 667 OE1AGLU A 95 -34.408 11.037 -6.440 0.50 22.49 O +ANISOU 667 OE1AGLU A 95 2547 2223 3775 -427 23 876 O +ATOM 668 OE1BGLU A 95 -32.018 8.877 -4.586 0.50 42.34 O +ANISOU 668 OE1BGLU A 95 5693 5458 4933 1057 630 -263 O +ATOM 669 OE2AGLU A 95 -34.809 8.869 -6.672 0.50 23.79 O +ANISOU 669 OE2AGLU A 95 2137 2822 4080 -611 -111 28 O +ATOM 670 OE2BGLU A 95 -34.149 9.412 -4.536 0.50 40.91 O +ANISOU 670 OE2BGLU A 95 4954 3966 6624 284 882 -372 O +ATOM 671 N HIS A 96 -31.012 12.866 -9.800 1.00 12.99 N +ANISOU 671 N HIS A 96 1944 1216 1776 -169 -455 -142 N +ATOM 672 CA HIS A 96 -30.008 13.901 -10.209 1.00 12.81 C +ANISOU 672 CA HIS A 96 1949 1339 1578 -167 -195 -144 C +ATOM 673 C HIS A 96 -30.061 15.120 -9.321 1.00 11.11 C +ANISOU 673 C HIS A 96 1461 1218 1539 73 -207 -129 C +ATOM 674 O HIS A 96 -29.016 15.677 -8.971 1.00 12.01 O +ANISOU 674 O HIS A 96 1573 1380 1610 99 -464 -22 O +ATOM 675 CB HIS A 96 -30.121 14.310 -11.671 1.00 13.32 C +ANISOU 675 CB HIS A 96 2037 1436 1587 250 -575 -213 C +ATOM 676 CG HIS A 96 -29.731 13.202 -12.638 1.00 14.10 C +ANISOU 676 CG HIS A 96 1986 1638 1731 173 -533 -408 C +ATOM 677 ND1 HIS A 96 -29.542 13.419 -13.958 1.00 16.74 N +ANISOU 677 ND1 HIS A 96 2584 1954 1819 -397 -406 -553 N +ATOM 678 CD2 HIS A 96 -29.536 11.830 -12.438 1.00 14.00 C +ANISOU 678 CD2 HIS A 96 1636 1755 1927 191 -263 -248 C +ATOM 679 CE1 HIS A 96 -29.193 12.267 -14.561 1.00 17.49 C +ANISOU 679 CE1 HIS A 96 2819 1908 1918 101 -382 -256 C +ATOM 680 NE2 HIS A 96 -29.221 11.290 -13.652 1.00 15.45 N +ANISOU 680 NE2 HIS A 96 2214 1893 1761 271 -326 -226 N +ATOM 681 N ARG A 97 -31.261 15.560 -8.956 1.00 13.02 N +ANISOU 681 N ARG A 97 1725 1562 1659 367 -130 -152 N +ATOM 682 CA ARG A 97 -31.385 16.729 -8.041 1.00 12.43 C +ANISOU 682 CA ARG A 97 1566 1492 1663 209 -170 -158 C +ATOM 683 C ARG A 97 -30.725 16.433 -6.696 1.00 12.92 C +ANISOU 683 C ARG A 97 1853 1360 1696 -113 -246 15 C +ATOM 684 O ARG A 97 -29.995 17.282 -6.168 1.00 12.18 O +ANISOU 684 O ARG A 97 1735 1477 1415 47 -378 -184 O +ATOM 685 CB ARG A 97 -32.877 17.076 -7.813 1.00 14.36 C +ANISOU 685 CB ARG A 97 1463 1928 2063 263 -356 -178 C +ATOM 686 CG ARG A 97 -33.137 18.191 -6.765 1.00 14.24 C +ANISOU 686 CG ARG A 97 1602 1488 2319 102 -325 -134 C +ATOM 687 CD ARG A 97 -32.365 19.475 -7.075 1.00 12.16 C +ANISOU 687 CD ARG A 97 1428 1652 1539 100 -329 53 C +ATOM 688 NE ARG A 97 -32.680 20.055 -8.407 1.00 13.38 N +ANISOU 688 NE ARG A 97 1701 1701 1682 616 -194 285 N +ATOM 689 CZ ARG A 97 -31.875 20.930 -9.034 1.00 13.14 C +ANISOU 689 CZ ARG A 97 1811 1617 1562 177 -508 208 C +ATOM 690 NH1 ARG A 97 -30.711 21.281 -8.469 1.00 12.52 N +ANISOU 690 NH1 ARG A 97 1785 1567 1403 375 -341 -83 N +ATOM 691 NH2 ARG A 97 -32.226 21.456 -10.233 1.00 13.85 N +ANISOU 691 NH2 ARG A 97 1872 1817 1571 718 -573 110 N +ATOM 692 N LYS A 98 -30.936 15.234 -6.134 1.00 12.60 N +ANISOU 692 N LYS A 98 1768 1328 1688 186 -202 187 N +ATOM 693 CA LYS A 98 -30.284 14.914 -4.844 1.00 13.65 C +ANISOU 693 CA LYS A 98 1780 1492 1911 -85 -424 263 C +ATOM 694 C LYS A 98 -28.748 14.880 -4.971 1.00 12.56 C +ANISOU 694 C LYS A 98 1782 1439 1551 197 -339 -32 C +ATOM 695 O LYS A 98 -28.057 15.344 -4.051 1.00 12.49 O +ANISOU 695 O LYS A 98 1725 1299 1719 242 -483 19 O +ATOM 696 CB LYS A 98 -30.800 13.586 -4.263 1.00 13.77 C +ANISOU 696 CB LYS A 98 1938 1482 1811 -143 18 183 C +ATOM 697 CG LYS A 98 -32.297 13.599 -3.974 1.00 22.24 C +ANISOU 697 CG LYS A 98 2016 2794 3638 -288 308 700 C +ATOM 698 CD LYS A 98 -32.729 12.361 -3.208 1.00 27.95 C +ANISOU 698 CD LYS A 98 3463 3310 3846 -1173 505 594 C +ATOM 699 CE LYS A 98 -34.229 12.395 -2.958 1.00 35.22 C +ANISOU 699 CE LYS A 98 3364 4637 5379 -1170 329 931 C +ATOM 700 NZ LYS A 98 -34.598 11.331 -1.991 1.00 40.82 N +ANISOU 700 NZ LYS A 98 5389 4813 5308 -858 1179 779 N +ATOM 701 N ILE A 99 -28.233 14.383 -6.102 1.00 10.87 N +ANISOU 701 N ILE A 99 1322 1278 1529 -7 -442 101 N +ATOM 702 CA ILE A 99 -26.770 14.405 -6.357 1.00 11.63 C +ANISOU 702 CA ILE A 99 1552 1104 1762 121 -122 -176 C +ATOM 703 C ILE A 99 -26.265 15.863 -6.464 1.00 10.82 C +ANISOU 703 C ILE A 99 1680 1150 1280 16 -491 -47 C +ATOM 704 O ILE A 99 -25.270 16.225 -5.824 1.00 11.75 O +ANISOU 704 O ILE A 99 1672 1324 1467 139 -506 -187 O +ATOM 705 CB ILE A 99 -26.407 13.559 -7.583 1.00 10.21 C +ANISOU 705 CB ILE A 99 1495 1198 1183 -41 -205 121 C +ATOM 706 CG1 ILE A 99 -26.681 12.091 -7.246 1.00 12.89 C +ANISOU 706 CG1 ILE A 99 2277 1069 1549 -255 -557 -170 C +ATOM 707 CG2 ILE A 99 -24.939 13.735 -7.949 1.00 11.84 C +ANISOU 707 CG2 ILE A 99 1384 1503 1609 280 -87 -149 C +ATOM 708 CD1 ILE A 99 -26.735 11.187 -8.470 1.00 14.00 C +ANISOU 708 CD1 ILE A 99 2231 1465 1622 -8 -587 -460 C +ATOM 709 N TYR A 100 -26.975 16.704 -7.226 1.00 10.74 N +ANISOU 709 N TYR A 100 1620 1097 1362 199 -230 -34 N +ATOM 710 CA TYR A 100 -26.627 18.128 -7.274 1.00 11.24 C +ANISOU 710 CA TYR A 100 1988 1077 1205 221 -426 -79 C +ATOM 711 C TYR A 100 -26.568 18.741 -5.867 1.00 11.66 C +ANISOU 711 C TYR A 100 1890 1342 1197 0 -191 -98 C +ATOM 712 O TYR A 100 -25.600 19.438 -5.540 1.00 11.05 O +ANISOU 712 O TYR A 100 1724 1159 1314 257 -364 -167 O +ATOM 713 CB TYR A 100 -27.555 18.926 -8.205 1.00 11.25 C +ANISOU 713 CB TYR A 100 1922 1366 985 225 -367 2 C +ATOM 714 CG TYR A 100 -26.993 19.039 -9.635 1.00 10.03 C +ANISOU 714 CG TYR A 100 1804 952 1051 180 -269 -150 C +ATOM 715 CD1 TYR A 100 -26.669 17.902 -10.412 1.00 13.19 C +ANISOU 715 CD1 TYR A 100 2025 1373 1613 381 -332 -539 C +ATOM 716 CD2 TYR A 100 -26.705 20.282 -10.166 1.00 10.97 C +ANISOU 716 CD2 TYR A 100 1576 1304 1289 74 -318 325 C +ATOM 717 CE1 TYR A 100 -26.107 18.047 -11.666 1.00 14.65 C +ANISOU 717 CE1 TYR A 100 2118 1783 1663 48 -366 -140 C +ATOM 718 CE2 TYR A 100 -26.170 20.435 -11.441 1.00 12.00 C +ANISOU 718 CE2 TYR A 100 1941 1498 1119 63 -376 -132 C +ATOM 719 CZ TYR A 100 -25.853 19.324 -12.180 1.00 13.25 C +ANISOU 719 CZ TYR A 100 2001 1648 1386 273 -503 -262 C +ATOM 720 OH TYR A 100 -25.255 19.475 -13.424 1.00 15.32 O +ANISOU 720 OH TYR A 100 2474 1877 1468 324 -371 78 O +ATOM 721 N THR A 101 -27.567 18.451 -5.030 1.00 11.08 N +ANISOU 721 N THR A 101 1797 1264 1146 276 -155 -27 N +ATOM 722 CA THR A 101 -27.568 18.979 -3.652 1.00 10.90 C +ANISOU 722 CA THR A 101 1805 1249 1086 229 -103 64 C +ATOM 723 C THR A 101 -26.322 18.537 -2.875 1.00 12.15 C +ANISOU 723 C THR A 101 1900 1294 1420 149 -311 -81 C +ATOM 724 O THR A 101 -25.711 19.335 -2.162 1.00 13.34 O +ANISOU 724 O THR A 101 2107 1331 1628 146 -293 -277 O +ATOM 725 CB THR A 101 -28.871 18.546 -2.945 1.00 12.01 C +ANISOU 725 CB THR A 101 1694 1718 1149 326 -94 181 C +ATOM 726 OG1 THR A 101 -29.973 19.143 -3.646 1.00 13.24 O +ANISOU 726 OG1 THR A 101 1901 1385 1742 414 -203 278 O +ATOM 727 CG2 THR A 101 -28.903 18.970 -1.476 1.00 14.48 C +ANISOU 727 CG2 THR A 101 2477 1648 1375 -86 59 -159 C +ATOM 728 N MET A 102 -25.969 17.257 -2.977 1.00 12.60 N +ANISOU 728 N MET A 102 2050 1425 1312 476 -418 -149 N +ATOM 729 CA MET A 102 -24.766 16.754 -2.284 1.00 11.35 C +ANISOU 729 CA MET A 102 1770 1005 1536 270 -344 -66 C +ATOM 730 C MET A 102 -23.497 17.455 -2.801 1.00 11.91 C +ANISOU 730 C MET A 102 1966 1202 1355 83 -430 56 C +ATOM 731 O MET A 102 -22.582 17.740 -2.011 1.00 13.57 O +ANISOU 731 O MET A 102 2001 1425 1729 -100 -536 -16 O +ATOM 732 CB MET A 102 -24.666 15.220 -2.423 1.00 11.63 C +ANISOU 732 CB MET A 102 1911 931 1575 86 -366 264 C +ATOM 733 CG MET A 102 -25.748 14.520 -1.611 1.00 14.98 C +ANISOU 733 CG MET A 102 2232 1556 1901 -299 44 -46 C +ATOM 734 SD MET A 102 -25.590 12.705 -1.554 1.00 16.80 S +ANISOU 734 SD MET A 102 2586 1647 2147 0 -527 285 S +ATOM 735 CE MET A 102 -26.029 12.276 -3.227 1.00 17.26 C +ANISOU 735 CE MET A 102 2776 1691 2089 -108 -584 133 C +ATOM 736 N ILE A 103 -23.436 17.714 -4.109 1.00 10.36 N +ANISOU 736 N ILE A 103 1633 916 1386 77 -356 -58 N +ATOM 737 CA ILE A 103 -22.311 18.459 -4.665 1.00 10.49 C +ANISOU 737 CA ILE A 103 1715 1194 1076 -15 -414 -65 C +ATOM 738 C ILE A 103 -22.320 19.910 -4.183 1.00 11.05 C +ANISOU 738 C ILE A 103 1661 1194 1341 170 -572 -119 C +ATOM 739 O ILE A 103 -21.270 20.412 -3.774 1.00 11.83 O +ANISOU 739 O ILE A 103 1624 1277 1591 114 -606 -207 O +ATOM 740 CB ILE A 103 -22.293 18.396 -6.200 1.00 12.05 C +ANISOU 740 CB ILE A 103 2034 1506 1037 9 -380 -101 C +ATOM 741 CG1 ILE A 103 -22.083 16.910 -6.621 1.00 12.76 C +ANISOU 741 CG1 ILE A 103 1876 1572 1400 0 -611 -229 C +ATOM 742 CG2 ILE A 103 -21.203 19.328 -6.765 1.00 13.74 C +ANISOU 742 CG2 ILE A 103 2108 1852 1259 -92 -316 -47 C +ATOM 743 CD1 ILE A 103 -22.304 16.644 -8.100 1.00 14.54 C +ANISOU 743 CD1 ILE A 103 1979 2137 1406 -164 -430 -434 C +ATOM 744 N TYR A 104 -23.480 20.580 -4.171 1.00 11.87 N +ANISOU 744 N TYR A 104 1976 1120 1410 394 -162 -152 N +ATOM 745 CA TYR A 104 -23.509 22.002 -3.713 1.00 11.87 C +ANISOU 745 CA TYR A 104 1889 1262 1357 299 -571 -331 C +ATOM 746 C TYR A 104 -22.959 22.139 -2.289 1.00 12.10 C +ANISOU 746 C TYR A 104 2281 1072 1242 198 -560 -64 C +ATOM 747 O TYR A 104 -22.309 23.142 -1.978 1.00 12.85 O +ANISOU 747 O TYR A 104 1989 1439 1452 -27 -700 36 O +ATOM 748 CB TYR A 104 -24.927 22.583 -3.763 1.00 12.62 C +ANISOU 748 CB TYR A 104 1782 1669 1343 344 -495 201 C +ATOM 749 CG TYR A 104 -25.394 22.905 -5.182 1.00 11.59 C +ANISOU 749 CG TYR A 104 1950 1179 1274 138 -560 0 C +ATOM 750 CD1 TYR A 104 -26.574 22.362 -5.700 1.00 11.98 C +ANISOU 750 CD1 TYR A 104 1717 1604 1231 216 -591 -56 C +ATOM 751 CD2 TYR A 104 -24.666 23.790 -5.991 1.00 13.44 C +ANISOU 751 CD2 TYR A 104 1908 1763 1434 155 -397 380 C +ATOM 752 CE1 TYR A 104 -27.017 22.678 -7.007 1.00 11.47 C +ANISOU 752 CE1 TYR A 104 1668 1397 1289 369 -485 130 C +ATOM 753 CE2 TYR A 104 -25.095 24.088 -7.312 1.00 14.07 C +ANISOU 753 CE2 TYR A 104 2113 1678 1555 66 -573 431 C +ATOM 754 CZ TYR A 104 -26.297 23.546 -7.784 1.00 13.18 C +ANISOU 754 CZ TYR A 104 1921 1426 1658 363 -425 85 C +ATOM 755 OH TYR A 104 -26.712 23.807 -9.080 1.00 14.97 O +ANISOU 755 OH TYR A 104 2270 1602 1814 318 -527 73 O +ATOM 756 N ARG A 105 -23.173 21.126 -1.448 1.00 12.14 N +ANISOU 756 N ARG A 105 2182 1262 1166 318 -331 36 N +ATOM 757 CA ARG A 105 -22.638 21.171 -0.071 1.00 13.34 C +ANISOU 757 CA ARG A 105 2378 1318 1371 267 -687 102 C +ATOM 758 C ARG A 105 -21.108 21.289 -0.046 1.00 13.91 C +ANISOU 758 C ARG A 105 2384 1309 1589 291 -835 -207 C +ATOM 759 O ARG A 105 -20.516 21.752 0.964 1.00 17.90 O +ANISOU 759 O ARG A 105 3098 2225 1478 207 -978 -296 O +ATOM 760 CB ARG A 105 -23.002 19.894 0.686 1.00 19.47 C +ANISOU 760 CB ARG A 105 3274 1711 2410 21 -386 571 C +ATOM 761 CG ARG A 105 -24.474 19.688 0.902 1.00 24.14 C +ANISOU 761 CG ARG A 105 3694 2521 2956 10 -154 824 C +ATOM 762 CD ARG A 105 -24.757 18.799 2.108 1.00 36.91 C +ANISOU 762 CD ARG A 105 5606 4919 3500 -1183 1549 1291 C +ATOM 763 NE ARG A 105 -26.099 18.249 1.994 1.00 37.62 N +ANISOU 763 NE ARG A 105 6411 4678 3204 -1333 186 671 N +ATOM 764 CZ ARG A 105 -26.356 16.956 1.875 0.50 36.67 C +ANISOU 764 CZ ARG A 105 5321 4201 4410 -401 -357 479 C +ATOM 765 NH1 ARG A 105 -25.358 16.073 1.880 0.50 28.47 N +ANISOU 765 NH1 ARG A 105 4890 3947 1980 -755 -1018 -898 N +ATOM 766 NH2 ARG A 105 -27.609 16.548 1.766 0.50 35.82 N +ANISOU 766 NH2 ARG A 105 4570 4266 4771 621 -605 1982 N +ATOM 767 N ASN A 106 -20.497 20.829 -1.143 1.00 13.70 N +ANISOU 767 N ASN A 106 2137 1415 1652 146 -490 176 N +ATOM 768 CA ASN A 106 -19.064 20.692 -1.293 1.00 13.67 C +ANISOU 768 CA ASN A 106 2317 1135 1742 243 -515 -96 C +ATOM 769 C ASN A 106 -18.429 21.804 -2.096 1.00 12.73 C +ANISOU 769 C ASN A 106 2149 1398 1288 206 -774 20 C +ATOM 770 O ASN A 106 -17.236 21.734 -2.407 1.00 15.41 O +ANISOU 770 O ASN A 106 2228 1587 2037 230 -796 -36 O +ATOM 771 CB ASN A 106 -18.777 19.310 -1.910 1.00 12.91 C +ANISOU 771 CB ASN A 106 2330 965 1608 292 -684 131 C +ATOM 772 CG ASN A 106 -18.905 18.215 -0.899 1.00 15.55 C +ANISOU 772 CG ASN A 106 2669 1203 2035 49 -1185 419 C +ATOM 773 OD1 ASN A 106 -19.928 17.499 -0.829 1.00 18.59 O +ANISOU 773 OD1 ASN A 106 2632 1985 2446 -146 -940 128 O +ATOM 774 ND2 ASN A 106 -17.898 18.087 -0.091 1.00 16.95 N +ANISOU 774 ND2 ASN A 106 2421 1467 2552 64 -1246 600 N +ATOM 775 N LEU A 107 -19.219 22.840 -2.426 1.00 13.23 N +ANISOU 775 N LEU A 107 2207 1225 1593 268 -691 -92 N +ATOM 776 CA LEU A 107 -18.708 24.016 -3.144 1.00 13.69 C +ANISOU 776 CA LEU A 107 2049 1264 1887 121 -870 32 C +ATOM 777 C LEU A 107 -18.558 25.220 -2.235 1.00 14.58 C +ANISOU 777 C LEU A 107 2456 1416 1668 -198 -659 -9 C +ATOM 778 O LEU A 107 -19.277 25.341 -1.238 1.00 16.54 O +ANISOU 778 O LEU A 107 2635 1403 2246 -132 -598 -182 O +ATOM 779 CB LEU A 107 -19.664 24.431 -4.273 1.00 13.20 C +ANISOU 779 CB LEU A 107 2094 1360 1558 99 -726 35 C +ATOM 780 CG LEU A 107 -20.039 23.305 -5.243 1.00 13.11 C +ANISOU 780 CG LEU A 107 1848 1614 1518 129 -751 -57 C +ATOM 781 CD1 LEU A 107 -21.078 23.793 -6.221 1.00 17.03 C +ANISOU 781 CD1 LEU A 107 2429 2003 2037 173 -1106 440 C +ATOM 782 CD2 LEU A 107 -18.812 22.771 -5.992 1.00 14.60 C +ANISOU 782 CD2 LEU A 107 1755 1744 2046 451 -544 175 C +ATOM 783 N VAL A 108 -17.657 26.129 -2.588 1.00 14.48 N +ANISOU 783 N VAL A 108 1915 1248 2338 -96 -995 148 N +ATOM 784 CA VAL A 108 -17.527 27.397 -1.845 1.00 16.27 C +ANISOU 784 CA VAL A 108 2552 1568 2062 48 -955 -103 C +ATOM 785 C VAL A 108 -18.851 28.186 -1.931 1.00 18.26 C +ANISOU 785 C VAL A 108 2591 1959 2388 92 -716 149 C +ATOM 786 O VAL A 108 -19.513 28.172 -2.975 1.00 17.46 O +ANISOU 786 O VAL A 108 2415 1896 2320 310 -571 281 O +ATOM 787 CB VAL A 108 -16.356 28.209 -2.388 1.00 17.17 C +ANISOU 787 CB VAL A 108 2362 1254 2906 121 -1025 187 C +ATOM 788 CG1 VAL A 108 -16.270 29.592 -1.727 1.00 20.21 C +ANISOU 788 CG1 VAL A 108 3074 1300 3301 -487 -613 54 C +ATOM 789 CG2 VAL A 108 -15.046 27.455 -2.150 1.00 18.12 C +ANISOU 789 CG2 VAL A 108 2476 1640 2768 398 -1009 59 C +ATOM 790 OXT VAL A 108 -19.318 28.816 -0.958 1.00 22.60 O +ANISOU 790 OXT VAL A 108 3589 2063 2932 323 -417 166 O +TER 791 VAL A 108 +HETATM 792 O3 NUT A 201 -23.667 5.839 -16.568 1.00 18.16 O +ANISOU 792 O3 NUT A 201 2971 1682 2248 136 -173 -588 O +HETATM 793 C25 NUT A 201 -23.015 6.538 -15.757 1.00 16.08 C +ANISOU 793 C25 NUT A 201 2123 1719 2267 314 -363 -344 C +HETATM 794 N2 NUT A 201 -21.695 6.402 -15.710 1.00 16.62 N +ANISOU 794 N2 NUT A 201 2187 2008 2117 154 56 -1030 N +HETATM 795 C29 NUT A 201 -21.006 5.564 -16.697 1.00 18.26 C +ANISOU 795 C29 NUT A 201 2767 2416 1753 405 -93 -1129 C +HETATM 796 C28 NUT A 201 -19.624 6.037 -17.066 1.00 21.25 C +ANISOU 796 C28 NUT A 201 3157 2714 2199 536 400 -787 C +HETATM 797 O2 NUT A 201 -19.027 5.438 -17.957 1.00 26.40 O +ANISOU 797 O2 NUT A 201 3704 3591 2733 1379 798 -838 O +HETATM 798 N3 NUT A 201 -19.096 7.088 -16.423 1.00 19.48 N +ANISOU 798 N3 NUT A 201 2555 2737 2107 -18 258 -379 N +HETATM 799 C27 NUT A 201 -19.765 7.777 -15.316 1.00 18.67 C +ANISOU 799 C27 NUT A 201 2451 2591 2049 -86 188 -350 C +HETATM 800 C26 NUT A 201 -20.851 6.955 -14.647 1.00 17.26 C +ANISOU 800 C26 NUT A 201 1996 2035 2527 -202 -446 -317 C +HETATM 801 N1 NUT A 201 -23.728 7.387 -14.970 1.00 13.52 N +ANISOU 801 N1 NUT A 201 2033 1394 1708 -58 -456 -184 N +HETATM 802 C10 NUT A 201 -25.032 7.173 -14.710 1.00 15.25 C +ANISOU 802 C10 NUT A 201 2213 1466 2112 -164 -146 -292 C +HETATM 803 C9 NUT A 201 -25.716 5.849 -14.559 1.00 13.04 C +ANISOU 803 C9 NUT A 201 2045 1190 1718 142 -301 -125 C +HETATM 804 C3 NUT A 201 -27.003 5.643 -15.033 1.00 15.29 C +ANISOU 804 C3 NUT A 201 2308 1346 2152 -343 -478 -226 C +HETATM 805 C2 NUT A 201 -27.636 4.390 -14.872 1.00 13.86 C +ANISOU 805 C2 NUT A 201 2166 1362 1735 -310 -648 -336 C +HETATM 806 C5 NUT A 201 -25.021 4.742 -13.878 1.00 12.69 C +ANISOU 806 C5 NUT A 201 1861 1362 1596 22 -523 5 C +HETATM 807 O1 NUT A 201 -23.751 4.950 -13.415 1.00 14.16 O +ANISOU 807 O1 NUT A 201 1996 1489 1895 66 -794 -20 O +HETATM 808 C6 NUT A 201 -23.077 3.927 -12.640 1.00 14.20 C +ANISOU 808 C6 NUT A 201 2041 1299 2053 187 -837 -266 C +HETATM 809 C8 NUT A 201 -22.445 2.900 -13.586 1.00 17.73 C +ANISOU 809 C8 NUT A 201 2325 1903 2506 434 -583 -502 C +HETATM 810 C7 NUT A 201 -22.063 4.596 -11.718 1.00 16.82 C +ANISOU 810 C7 NUT A 201 2163 1746 2481 -436 -911 -44 C +HETATM 811 C4 NUT A 201 -25.678 3.512 -13.732 1.00 13.78 C +ANISOU 811 C4 NUT A 201 1725 1650 1859 -280 -605 -223 C +HETATM 812 C1 NUT A 201 -26.973 3.348 -14.207 1.00 14.18 C +ANISOU 812 C1 NUT A 201 1738 1722 1927 -308 -598 -37 C +HETATM 813 O NUT A 201 -27.557 2.127 -14.022 1.00 15.19 O +ANISOU 813 O NUT A 201 1823 1762 2183 -300 -672 -257 O +HETATM 814 C NUT A 201 -28.863 1.822 -14.540 1.00 16.25 C +ANISOU 814 C NUT A 201 1824 1736 2613 -235 -905 -177 C +HETATM 815 C18 NUT A 201 -23.330 8.774 -14.740 1.00 15.90 C +ANISOU 815 C18 NUT A 201 2442 1522 2076 3 -340 -673 C +HETATM 816 C19 NUT A 201 -22.897 9.233 -13.374 1.00 13.46 C +ANISOU 816 C19 NUT A 201 1805 1625 1682 -85 -213 -131 C +HETATM 817 C24 NUT A 201 -22.198 10.451 -13.326 1.00 14.37 C +ANISOU 817 C24 NUT A 201 2078 1552 1830 31 -401 -386 C +HETATM 818 C23 NUT A 201 -21.867 10.994 -12.087 1.00 13.16 C +ANISOU 818 C23 NUT A 201 2292 1179 1528 162 -65 -192 C +HETATM 819 C22 NUT A 201 -22.260 10.321 -10.942 1.00 13.69 C +ANISOU 819 C22 NUT A 201 1981 1538 1681 16 -265 80 C +HETATM 820 CL1 NUT A 201 -21.928 11.079 -9.376 1.00 17.12 CL +ANISOU 820 CL1 NUT A 201 2523 1738 2243 286 -664 -259 CL +HETATM 821 C21 NUT A 201 -22.988 9.123 -10.942 1.00 13.60 C +ANISOU 821 C21 NUT A 201 1978 1403 1785 29 -219 -205 C +HETATM 822 C20 NUT A 201 -23.300 8.579 -12.190 1.00 13.58 C +ANISOU 822 C20 NUT A 201 1825 1687 1648 277 -303 -67 C +HETATM 823 C11 NUT A 201 -24.792 9.367 -15.038 1.00 15.99 C +ANISOU 823 C11 NUT A 201 2361 1668 2044 -45 -3 -155 C +HETATM 824 N NUT A 201 -25.707 8.251 -14.709 1.00 15.64 N +ANISOU 824 N NUT A 201 2003 1838 2100 4 -811 -79 N +HETATM 825 C12 NUT A 201 -25.194 10.617 -14.301 1.00 13.29 C +ANISOU 825 C12 NUT A 201 1863 1637 1548 132 -261 61 C +HETATM 826 C17 NUT A 201 -24.980 11.874 -14.865 1.00 14.98 C +ANISOU 826 C17 NUT A 201 1984 1418 2287 32 -363 -191 C +HETATM 827 C16 NUT A 201 -25.355 13.035 -14.145 1.00 14.37 C +ANISOU 827 C16 NUT A 201 1746 1685 2029 121 -477 -301 C +HETATM 828 C15 NUT A 201 -25.935 12.921 -12.864 1.00 14.91 C +ANISOU 828 C15 NUT A 201 2076 1661 1926 -8 -572 -400 C +HETATM 829 CL NUT A 201 -26.417 14.360 -11.915 1.00 18.16 CL +ANISOU 829 CL NUT A 201 2319 1785 2796 87 -444 -559 CL +HETATM 830 C14 NUT A 201 -26.156 11.677 -12.254 1.00 13.49 C +ANISOU 830 C14 NUT A 201 2027 1627 1470 291 -592 -256 C +HETATM 831 C13 NUT A 201 -25.791 10.528 -13.019 1.00 12.86 C +ANISOU 831 C13 NUT A 201 1829 1532 1523 54 -281 -353 C +HETATM 832 S SO4 A 202 -30.284 -1.594 -12.096 0.50 13.77 S +ANISOU 832 S SO4 A 202 2066 1664 1500 -571 -724 -244 S +HETATM 833 O1 SO4 A 202 -29.183 -2.189 -12.837 0.50 13.11 O +ANISOU 833 O1 SO4 A 202 2167 1241 1572 -773 -655 -163 O +HETATM 834 O2 SO4 A 202 -30.937 -0.509 -12.871 0.50 15.40 O +ANISOU 834 O2 SO4 A 202 2040 2226 1583 -452 -582 -115 O +HETATM 835 O3 SO4 A 202 -31.363 -2.531 -11.808 0.50 15.67 O +ANISOU 835 O3 SO4 A 202 2349 1899 1704 -773 -568 -353 O +HETATM 836 O4 SO4 A 202 -29.767 -1.053 -10.801 0.50 13.42 O +ANISOU 836 O4 SO4 A 202 2223 1473 1404 -888 -243 -436 O +HETATM 837 O HOH A 301 -32.477 2.910 -5.224 1.00 34.51 O +ANISOU 837 O HOH A 301 4486 4141 4482 330 760 -432 O +HETATM 838 O HOH A 302 -21.073 31.489 -11.536 1.00 17.23 O +ANISOU 838 O HOH A 302 2331 1973 2242 246 -115 565 O +HETATM 839 O HOH A 303 -28.315 7.881 -0.260 1.00 24.61 O +ANISOU 839 O HOH A 303 3254 3068 3029 229 -334 -370 O +HETATM 840 O HOH A 304 -11.555 25.940 -2.675 1.00 28.19 O +ANISOU 840 O HOH A 304 3214 3249 4247 -1106 -1134 -149 O +HETATM 841 O HOH A 305 -29.730 21.101 -5.749 1.00 13.16 O +ANISOU 841 O HOH A 305 1698 1615 1686 247 -146 19 O +HETATM 842 O HOH A 306 -15.713 19.652 -0.782 1.00 19.66 O +ANISOU 842 O HOH A 306 2857 2045 2565 -43 -734 -32 O +HETATM 843 O HOH A 307 -28.500 8.768 -14.299 1.00 18.91 O +ANISOU 843 O HOH A 307 2708 1626 2851 -38 -666 -371 O +HETATM 844 O HOH A 308 -25.168 25.427 -10.621 1.00 20.24 O +ANISOU 844 O HOH A 308 2953 2788 1950 242 -140 432 O +HETATM 845 O HOH A 309 -24.587 17.719 -15.272 1.00 21.13 O +ANISOU 845 O HOH A 309 3302 2548 2176 332 -205 -129 O +HETATM 846 O HOH A 310 -10.766 7.760 -0.518 1.00 28.31 O +ANISOU 846 O HOH A 310 3027 3048 4678 474 3 374 O +HETATM 847 O HOH A 311 -21.141 15.566 -17.125 1.00 29.85 O +ANISOU 847 O HOH A 311 4655 3946 2740 601 -573 -627 O +HETATM 848 O HOH A 312 -32.148 17.707 -3.033 1.00 21.56 O +ANISOU 848 O HOH A 312 3184 2036 2970 171 573 444 O +HETATM 849 O HOH A 313 -33.466 13.652 -7.152 1.00 21.11 O +ANISOU 849 O HOH A 313 2858 1808 3353 -38 25 288 O +HETATM 850 O HOH A 314 -33.854 14.693 -10.011 1.00 24.60 O +ANISOU 850 O HOH A 314 2446 2846 4055 12 -924 -521 O +HETATM 851 O HOH A 315 -25.641 29.157 -17.112 1.00 21.89 O +ANISOU 851 O HOH A 315 2699 3067 2551 11 421 336 O +HETATM 852 O HOH A 316 -35.294 15.304 -5.786 1.00 31.04 O +ANISOU 852 O HOH A 316 3191 3700 4900 -583 -110 644 O +HETATM 853 O HOH A 317 -23.175 1.109 -9.778 1.00 21.96 O +ANISOU 853 O HOH A 317 3277 2345 2720 270 -685 -569 O +HETATM 854 O HOH A 318 -23.057 30.053 -17.657 1.00 26.24 O +ANISOU 854 O HOH A 318 3865 3131 2974 132 -339 -52 O +HETATM 855 O HOH A 319 -20.580 1.417 0.149 1.00 24.10 O +ANISOU 855 O HOH A 319 3595 2609 2953 -358 -84 -3 O +HETATM 856 O HOH A 320 -32.776 -2.086 -9.425 1.00 32.27 O +ANISOU 856 O HOH A 320 4096 4343 3822 -757 -687 252 O +HETATM 857 O HOH A 321 -18.055 28.753 1.475 1.00 30.35 O +ANISOU 857 O HOH A 321 4258 4469 2804 551 -1115 -867 O +HETATM 858 O HOH A 322 -24.190 27.223 -8.864 0.50 20.53 O +ANISOU 858 O HOH A 322 2901 2331 2569 966 -469 481 O +HETATM 859 O HOH A 323 -23.655 15.375 -16.466 1.00 30.01 O +ANISOU 859 O HOH A 323 4355 3220 3824 783 -395 -304 O +HETATM 860 O HOH A 324 -15.726 27.437 1.823 1.00 22.18 O +ANISOU 860 O HOH A 324 2856 2745 2823 332 -197 378 O +HETATM 861 O HOH A 325 -11.629 27.687 -0.731 1.00 31.77 O +ANISOU 861 O HOH A 325 3130 4321 4620 -1120 -691 -506 O +HETATM 862 O HOH A 326 -19.575 22.553 -19.244 1.00 29.51 O +ANISOU 862 O HOH A 326 4268 4320 2624 1442 -7 195 O +HETATM 863 O HOH A 327 -16.548 8.467 -17.045 1.00 29.99 O +ANISOU 863 O HOH A 327 3080 3840 4474 -446 388 -456 O +HETATM 864 O HOH A 328 -13.520 28.845 1.130 1.00 24.91 O +ANISOU 864 O HOH A 328 3190 2743 3532 -405 -547 300 O +HETATM 865 O HOH A 329 -29.349 15.197 -1.178 1.00 32.78 O +ANISOU 865 O HOH A 329 3447 3782 5224 600 -925 260 O +HETATM 866 O HOH A 330 -26.516 9.472 -18.351 1.00 50.31 O +ANISOU 866 O HOH A 330 7703 6308 5103 -2268 -1195 113 O +HETATM 867 O HOH A 331 -30.647 -5.141 -11.193 1.00 35.43 O +ANISOU 867 O HOH A 331 4688 3215 5558 -915 -290 -127 O +HETATM 868 O HOH A 332 -29.739 8.406 -3.351 1.00 27.45 O +ANISOU 868 O HOH A 332 2298 4883 3249 309 434 -1055 O +HETATM 869 O HOH A 333 -32.615 18.315 -0.267 1.00 40.52 O +ANISOU 869 O HOH A 333 6030 5079 4286 809 984 942 O +HETATM 870 O HOH A 334 -18.096 10.668 -16.231 1.00 28.49 O +ANISOU 870 O HOH A 334 4670 3043 3109 -513 -835 381 O +HETATM 871 O HOH A 335 -30.545 6.891 -14.699 1.00 32.51 O +ANISOU 871 O HOH A 335 3147 3196 6009 384 -1526 -1547 O +HETATM 872 O HOH A 336 -32.667 22.729 -19.999 1.00 32.53 O +ANISOU 872 O HOH A 336 5165 4550 2643 682 -1754 426 O +HETATM 873 O HOH A 337 -36.133 21.855 -13.565 1.00 36.13 O +ANISOU 873 O HOH A 337 3511 5815 4401 2099 -422 -56 O +HETATM 874 O HOH A 338 -25.569 6.744 -18.311 1.00 28.01 O +ANISOU 874 O HOH A 338 4979 2401 3261 323 -1845 -228 O +HETATM 875 O HOH A 339 -8.396 8.049 -13.855 1.00 45.37 O +ANISOU 875 O HOH A 339 6279 5767 5191 -176 269 737 O +HETATM 876 O HOH A 340 -11.431 25.079 -6.093 1.00 32.32 O +ANISOU 876 O HOH A 340 3236 5063 3982 -1468 -562 307 O +HETATM 877 O HOH A 341 -7.181 20.220 -2.867 1.00 34.57 O +ANISOU 877 O HOH A 341 3073 4558 5502 198 185 -899 O +HETATM 878 O HOH A 342 -10.004 4.919 -0.158 1.00 50.44 O +ANISOU 878 O HOH A 342 6204 6340 6621 2196 -2392 1278 O +HETATM 879 O HOH A 343 -28.809 4.090 -1.785 1.00 32.90 O +ANISOU 879 O HOH A 343 3638 4156 4706 446 461 61 O +HETATM 880 O HOH A 344 -19.231 12.823 6.366 1.00 38.00 O +ANISOU 880 O HOH A 344 6775 4104 3556 477 -935 -599 O +HETATM 881 O HOH A 345 -18.635 20.640 3.113 1.00 32.80 O +ANISOU 881 O HOH A 345 4129 4621 3711 -373 -1433 1375 O +HETATM 882 O HOH A 346 -6.907 23.177 -3.075 1.00 44.92 O +ANISOU 882 O HOH A 346 5646 6470 4950 -2097 -501 -1141 O +HETATM 883 O HOH A 347 -19.141 27.767 3.847 1.00 37.34 O +ANISOU 883 O HOH A 347 4472 6030 3685 791 -625 1201 O +HETATM 884 O HOH A 348 -33.594 5.970 -7.211 1.00 36.08 O +ANISOU 884 O HOH A 348 2695 5361 5652 -742 -828 132 O +HETATM 885 O HOH A 349 -10.363 27.585 -5.098 1.00 43.47 O +ANISOU 885 O HOH A 349 4280 7131 5104 -2901 -449 1161 O +HETATM 886 O HOH A 350 -34.526 17.065 -3.765 1.00 31.34 O +ANISOU 886 O HOH A 350 3530 4849 3528 643 55 949 O +HETATM 887 O HOH A 351 -4.764 16.656 -11.744 1.00 37.65 O +ANISOU 887 O HOH A 351 3139 5195 5969 280 850 1057 O +HETATM 888 O HOH A 352 -35.090 20.640 -16.307 1.00 45.52 O +ANISOU 888 O HOH A 352 6261 4255 6779 -1692 -1525 -1257 O +HETATM 889 O HOH A 353 -17.124 3.085 8.159 1.00 41.49 O +ANISOU 889 O HOH A 353 5672 2939 7153 -204 -119 273 O +HETATM 890 O HOH A 354 -9.405 20.379 -16.286 1.00 41.02 O +ANISOU 890 O HOH A 354 5177 4847 5559 2138 204 529 O +HETATM 891 O HOH A 355 -5.656 14.860 -5.856 1.00 33.90 O +ANISOU 891 O HOH A 355 2167 6295 4418 164 -615 -355 O +HETATM 892 O HOH A 356 -26.202 13.562 2.174 1.00 32.86 O +ANISOU 892 O HOH A 356 3848 4175 4461 -98 -330 -65 O +HETATM 893 O HOH A 357 -9.487 9.363 -2.837 1.00 50.15 O +ANISOU 893 O HOH A 357 5017 7900 6135 -1643 -2375 987 O +HETATM 894 O HOH A 358 -35.358 11.214 -10.602 1.00 44.53 O +ANISOU 894 O HOH A 358 3633 6404 6880 -514 -2074 943 O +HETATM 895 O HOH A 359 -8.196 30.056 -7.599 1.00 51.55 O +ANISOU 895 O HOH A 359 4893 8162 6530 65 -732 1587 O +HETATM 896 O HOH A 360 -14.907 25.644 -17.050 1.00 38.67 O +ANISOU 896 O HOH A 360 5754 4282 4656 -892 1807 146 O +HETATM 897 O HOH A 361 -12.914 3.235 -2.055 1.00 35.19 O +ANISOU 897 O HOH A 361 4926 2272 6169 -60 -1323 562 O +HETATM 898 O HOH A 362 -25.253 8.876 6.253 1.00 36.55 O +ANISOU 898 O HOH A 362 5874 4510 3500 -796 1144 951 O +HETATM 899 O HOH A 363 -25.946 21.223 -20.748 1.00 44.95 O +ANISOU 899 O HOH A 363 8190 4360 4528 1877 -1029 -1023 O +HETATM 900 O HOH A 364 -25.606 17.054 -19.586 1.00 40.98 O +ANISOU 900 O HOH A 364 6687 4890 3994 -338 881 -707 O +HETATM 901 O HOH A 365 -23.867 30.951 -20.265 1.00 35.64 O +ANISOU 901 O HOH A 365 5348 4417 3775 633 719 1477 O +HETATM 902 O HOH A 366 -28.624 10.318 -17.108 1.00 40.10 O +ANISOU 902 O HOH A 366 6442 5388 3403 -351 -612 160 O +HETATM 903 O HOH A 367 -12.852 26.938 -15.528 1.00 43.55 O +ANISOU 903 O HOH A 367 5331 7146 4069 1441 1120 2072 O +HETATM 904 O HOH A 368 -11.989 1.523 -4.406 1.00 43.79 O +ANISOU 904 O HOH A 368 5596 3926 7115 1259 -2019 236 O +HETATM 905 O HOH A 369 -14.333 31.475 0.830 1.00 41.82 O +ANISOU 905 O HOH A 369 5424 3955 6509 -205 -1349 -642 O +HETATM 906 O HOH A 370 -17.552 -0.429 3.606 1.00 31.84 O +ANISOU 906 O HOH A 370 4464 2747 4887 -610 -829 667 O +HETATM 907 O HOH A 371 -20.412 4.362 5.912 1.00 41.17 O +ANISOU 907 O HOH A 371 6177 4048 5415 -173 -1354 -536 O +HETATM 908 O HOH A 372 -26.340 29.195 -19.677 1.00 35.96 O +ANISOU 908 O HOH A 372 4199 5136 4327 -377 -399 1929 O +HETATM 909 O HOH A 373 -17.876 5.529 5.038 1.00 44.48 O +ANISOU 909 O HOH A 373 6818 5474 4606 -1898 617 612 O +HETATM 910 O HOH A 374 -21.545 22.939 3.207 1.00 41.09 O +ANISOU 910 O HOH A 374 4938 6995 3679 1452 -327 -494 O +HETATM 911 O HOH A 375 -5.155 12.598 -4.137 1.00 52.93 O +ANISOU 911 O HOH A 375 6583 7587 5940 3281 -1561 -924 O +HETATM 912 O HOH A 376 -17.868 17.741 -19.527 1.00 46.26 O +ANISOU 912 O HOH A 376 7174 5611 4788 -33 -1863 2064 O +HETATM 913 O HOH A 377 -28.507 12.243 0.628 1.00 40.62 O +ANISOU 913 O HOH A 377 4008 4380 7043 -1668 749 -199 O +HETATM 914 O HOH A 378 -27.323 5.256 2.086 1.00 47.28 O +ANISOU 914 O HOH A 378 4643 8949 4371 -803 -824 2245 O +HETATM 915 O HOH A 379 -17.274 8.900 -19.929 1.00 51.37 O +ANISOU 915 O HOH A 379 7306 7331 4881 1723 831 82 O +HETATM 916 O HOH A 380 -2.647 11.654 -9.621 1.00 55.85 O +ANISOU 916 O HOH A 380 6743 4122 10356 602 905 757 O +HETATM 917 O HOH A 381 -25.077 13.669 -17.976 1.00 39.69 O +ANISOU 917 O HOH A 381 5668 5157 4253 -1282 -1001 432 O +HETATM 918 O HOH A 382 -3.705 12.473 -7.178 1.00 45.41 O +ANISOU 918 O HOH A 382 5811 3921 7519 608 -1372 -1032 O +HETATM 919 O HOH A 383 -20.580 28.794 -18.996 1.00 45.56 O +ANISOU 919 O HOH A 383 4571 8522 4217 -800 1309 -68 O +HETATM 920 O HOH A 384 -19.057 19.993 -20.347 1.00 45.70 O +ANISOU 920 O HOH A 384 6703 6822 3837 324 276 346 O +HETATM 921 O HOH A 385 -1.397 17.273 -19.788 1.00 53.73 O +ANISOU 921 O HOH A 385 9236 5997 5181 416 934 -1182 O +HETATM 922 O HOH A 386 -9.113 1.683 -2.526 1.00 53.38 O +ANISOU 922 O HOH A 386 7689 5315 7277 2133 -428 -1107 O +HETATM 923 O HOH A 387 -20.995 26.561 -20.478 1.00 43.70 O +ANISOU 923 O HOH A 387 5654 6354 4594 -939 861 -1520 O +HETATM 924 O HOH A 388 -0.317 19.473 -18.228 1.00 53.87 O +ANISOU 924 O HOH A 388 6532 7955 5978 1373 -209 849 O +HETATM 925 O HOH A 389 -15.864 2.562 -1.345 1.00 44.97 O +ANISOU 925 O HOH A 389 5124 6041 5921 -373 274 75 O +HETATM 926 O HOH A 390 -28.675 10.316 -1.608 1.00 33.55 O +ANISOU 926 O HOH A 390 5853 2668 4226 -485 -818 -806 O +HETATM 927 O HOH A 391 -29.290 15.834 -15.443 1.00 27.18 O +ANISOU 927 O HOH A 391 4908 1291 4125 903 149 -9 O +HETATM 928 O HOH A 392 -31.944 26.199 -19.260 1.00 26.05 O +ANISOU 928 O HOH A 392 2370 3523 4002 -586 687 -883 O +HETATM 929 O HOH A 393 -34.565 20.536 -11.717 1.00 22.82 O +ANISOU 929 O HOH A 393 2879 2967 2823 -567 -808 250 O +HETATM 930 O HOH A 394 -27.648 -1.487 -1.526 1.00 32.57 O +ANISOU 930 O HOH A 394 4992 4124 3257 -1093 64 -274 O +HETATM 931 O HOH A 395 -35.145 17.242 -10.864 1.00 41.48 O +ANISOU 931 O HOH A 395 4900 5597 5260 1494 -2590 -732 O +HETATM 932 O HOH A 396 -27.525 14.406 -16.717 1.00 41.22 O +ANISOU 932 O HOH A 396 3889 7188 4582 911 98 -88 O +HETATM 933 O HOH A 397 -8.370 11.218 -4.198 1.00 51.28 O +ANISOU 933 O HOH A 397 4047 7790 7648 1053 126 122 O +CONECT 792 793 +CONECT 793 792 794 801 +CONECT 794 793 795 800 +CONECT 795 794 796 +CONECT 796 795 797 798 +CONECT 797 796 +CONECT 798 796 799 +CONECT 799 798 800 +CONECT 800 794 799 +CONECT 801 793 802 815 +CONECT 802 801 803 824 +CONECT 803 802 804 806 +CONECT 804 803 805 +CONECT 805 804 812 +CONECT 806 803 807 811 +CONECT 807 806 808 +CONECT 808 807 809 810 +CONECT 809 808 +CONECT 810 808 +CONECT 811 806 812 +CONECT 812 805 811 813 +CONECT 813 812 814 +CONECT 814 813 +CONECT 815 801 816 823 +CONECT 816 815 817 822 +CONECT 817 816 818 +CONECT 818 817 819 +CONECT 819 818 820 821 +CONECT 820 819 +CONECT 821 819 822 +CONECT 822 816 821 +CONECT 823 815 824 825 +CONECT 824 802 823 +CONECT 825 823 826 831 +CONECT 826 825 827 +CONECT 827 826 828 +CONECT 828 827 829 830 +CONECT 829 828 +CONECT 830 828 831 +CONECT 831 825 830 +CONECT 832 833 834 835 836 +CONECT 833 832 +CONECT 834 832 +CONECT 835 832 +CONECT 836 832 +MASTER 308 0 2 5 4 0 7 6 886 1 45 8 +END diff --git a/data/targets/experimental_benchmark_single_library/mdm2_4hg7.pdb b/data/targets/experimental_benchmark_single_library/mdm2_4hg7.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f48dbd46fd17a856f7d5cdd32b471ebd413f7567 --- /dev/null +++ b/data/targets/experimental_benchmark_single_library/mdm2_4hg7.pdb @@ -0,0 +1,2303 @@ +HEADER LIGASE 07-OCT-12 4HG7 +TITLE CRYSTAL STRUCTURE OF AN MDM2/NUTLIN-3A COMPLEX +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: E3 UBIQUITIN-PROTEIN LIGASE MDM2; +COMPND 3 CHAIN: A; +COMPND 4 FRAGMENT: P53 BINDING DOMAIN (RESIDUES 17-125); +COMPND 5 SYNONYM: DOUBLE MINUTE 2 PROTEIN, HDM2, ONCOPROTEIN MDM2, P53-BINDING +COMPND 6 PROTEIN MDM2; +COMPND 7 EC: 6.3.2.-; +COMPND 8 ENGINEERED: YES; +COMPND 9 MUTATION: YES +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; +SOURCE 3 ORGANISM_COMMON: HUMAN; +SOURCE 4 ORGANISM_TAXID: 9606; +SOURCE 5 GENE: MDM2; +SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; +SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; +SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3); +SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; +SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PGEX6P1 +KEYWDS MDM2, NUTLIN-3A, SURFACE ENTROPY REDUCTION, MUTANT VALIDATION, LIGASE +EXPDTA X-RAY DIFFRACTION +AUTHOR M.E.M.NOBLE,B.ANIL,C.RIEDINGER,J.A.ENDICOTT +REVDAT 3 28-FEB-24 4HG7 1 REMARK SEQADV +REVDAT 2 21-AUG-13 4HG7 1 JRNL +REVDAT 1 31-JUL-13 4HG7 0 +JRNL AUTH B.ANIL,C.RIEDINGER,J.A.ENDICOTT,M.E.NOBLE +JRNL TITL THE STRUCTURE OF AN MDM2-NUTLIN-3A COMPLEX SOLVED BY THE USE +JRNL TITL 2 OF A VALIDATED MDM2 SURFACE-ENTROPY REDUCTION MUTANT. +JRNL REF ACTA CRYSTALLOGR.,SECT.D V. 69 1358 2013 +JRNL REFN ISSN 0907-4449 +JRNL PMID 23897459 +JRNL DOI 10.1107/S0907444913004459 +REMARK 2 +REMARK 2 RESOLUTION. 1.60 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : REFMAC 5.6.0117 +REMARK 3 AUTHORS : MURSHUDOV,SKUBAK,LEBEDEV,PANNU,STEINER, +REMARK 3 : NICHOLLS,WINN,LONG,VAGIN +REMARK 3 +REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.60 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 30.94 +REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.200 +REMARK 3 COMPLETENESS FOR RANGE (%) : 98.8 +REMARK 3 NUMBER OF REFLECTIONS : 20070 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT +REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM +REMARK 3 R VALUE (WORKING + TEST SET) : 0.176 +REMARK 3 R VALUE (WORKING SET) : 0.173 +REMARK 3 FREE R VALUE : 0.215 +REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 +REMARK 3 FREE R VALUE TEST SET COUNT : 1065 +REMARK 3 +REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. +REMARK 3 TOTAL NUMBER OF BINS USED : 20 +REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.60 +REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.64 +REMARK 3 REFLECTION IN BIN (WORKING SET) : 1299 +REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 98.84 +REMARK 3 BIN R VALUE (WORKING SET) : 0.2360 +REMARK 3 BIN FREE R VALUE SET COUNT : 61 +REMARK 3 BIN FREE R VALUE : 0.3060 +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 744 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 45 +REMARK 3 SOLVENT ATOMS : 97 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : NULL +REMARK 3 MEAN B VALUE (OVERALL, A**2) : 21.61 +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : -0.55000 +REMARK 3 B22 (A**2) : -0.55000 +REMARK 3 B33 (A**2) : 0.83000 +REMARK 3 B12 (A**2) : -0.28000 +REMARK 3 B13 (A**2) : 0.00000 +REMARK 3 B23 (A**2) : 0.00000 +REMARK 3 +REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. +REMARK 3 ESU BASED ON R VALUE (A): 0.081 +REMARK 3 ESU BASED ON FREE R VALUE (A): 0.076 +REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.043 +REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 2.668 +REMARK 3 +REMARK 3 CORRELATION COEFFICIENTS. +REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.955 +REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.934 +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT +REMARK 3 BOND LENGTHS REFINED ATOMS (A): 862 ; 0.014 ; 0.020 +REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL +REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 1181 ; 1.596 ; 2.063 +REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL +REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 108 ; 5.039 ; 5.000 +REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 35 ;41.647 ;24.286 +REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 165 ;12.277 ;15.000 +REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 4 ;16.794 ;15.000 +REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 132 ; 0.085 ; 0.200 +REMARK 3 GENERAL PLANES REFINED ATOMS (A): 646 ; 0.011 ; 0.021 +REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL +REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL +REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL +REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL +REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY VDW REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL +REMARK 3 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT +REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 LONG RANGE B REFINED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 LONG RANGE B OTHER ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 +REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT +REMARK 3 RIGID-BOND RESTRAINTS (A**2): 861 ; 4.481 ; 3.000 +REMARK 3 SPHERICITY; FREE ATOMS (A**2): 47 ;28.475 ; 5.000 +REMARK 3 SPHERICITY; BONDED ATOMS (A**2): 894 ;13.951 ; 5.000 +REMARK 3 +REMARK 3 NCS RESTRAINTS STATISTICS +REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL +REMARK 3 +REMARK 3 TLS DETAILS +REMARK 3 NUMBER OF TLS GROUPS : NULL +REMARK 3 +REMARK 3 BULK SOLVENT MODELLING. +REMARK 3 METHOD USED : MASK +REMARK 3 PARAMETERS FOR MASK CALCULATION +REMARK 3 VDW PROBE RADIUS : 1.20 +REMARK 3 ION PROBE RADIUS : 0.80 +REMARK 3 SHRINKAGE RADIUS : 0.80 +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN USED IF PRESENT IN +REMARK 3 THE INPUT +REMARK 4 +REMARK 4 4HG7 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 12-OCT-12. +REMARK 100 THE DEPOSITION ID IS D_1000075426. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : 26-NOV-10 +REMARK 200 TEMPERATURE (KELVIN) : 298 +REMARK 200 PH : 5.6 +REMARK 200 NUMBER OF CRYSTALS USED : 1 +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : Y +REMARK 200 RADIATION SOURCE : ESRF +REMARK 200 BEAMLINE : ID23-2 +REMARK 200 X-RAY GENERATOR MODEL : NULL +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 0.8726 +REMARK 200 MONOCHROMATOR : SI 111 CHANNEL +REMARK 200 OPTICS : NULL +REMARK 200 +REMARK 200 DETECTOR TYPE : CCD +REMARK 200 DETECTOR MANUFACTURER : MARMOSAIC 225 MM CCD +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS +REMARK 200 DATA SCALING SOFTWARE : XDS, SCALA +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 21274 +REMARK 200 RESOLUTION RANGE HIGH (A) : 1.600 +REMARK 200 RESOLUTION RANGE LOW (A) : 33.790 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 2.000 +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 99.5 +REMARK 200 DATA REDUNDANCY : NULL +REMARK 200 R MERGE (I) : NULL +REMARK 200 R SYM (I) : NULL +REMARK 200 FOR THE DATA SET : NULL +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.60 +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.69 +REMARK 200 COMPLETENESS FOR SHELL (%) : 99.5 +REMARK 200 DATA REDUNDANCY IN SHELL : NULL +REMARK 200 R MERGE FOR SHELL (I) : NULL +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 FOR SHELL : NULL +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT +REMARK 200 SOFTWARE USED: PHASER +REMARK 200 STARTING MODEL: NULL +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 64.50 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.46 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: 0.5 M AMMONIUM SULFATE, 0.1 M SODIUM +REMARK 280 CITRATE, 1.0 M LITHIUM SULFATE, PH 5.6, VAPOR DIFFUSION, SITTING +REMARK 280 DROP, TEMPERATURE 277K +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 65 2 2 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -Y,X-Y,Z+2/3 +REMARK 290 3555 -X+Y,-X,Z+1/3 +REMARK 290 4555 -X,-Y,Z+1/2 +REMARK 290 5555 Y,-X+Y,Z+1/6 +REMARK 290 6555 X-Y,X,Z+5/6 +REMARK 290 7555 Y,X,-Z+2/3 +REMARK 290 8555 X-Y,-Y,-Z +REMARK 290 9555 -X,-X+Y,-Z+1/3 +REMARK 290 10555 -Y,-X,-Z+1/6 +REMARK 290 11555 -X+Y,Y,-Z+1/2 +REMARK 290 12555 X,X-Y,-Z+5/6 +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 69.46933 +REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 34.73467 +REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 52.10200 +REMARK 290 SMTRY1 5 0.500000 0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 5 -0.866025 0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 17.36733 +REMARK 290 SMTRY1 6 0.500000 -0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 6 0.866025 0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 86.83667 +REMARK 290 SMTRY1 7 -0.500000 0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 7 0.866025 0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 69.46933 +REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 SMTRY1 9 -0.500000 -0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 9 -0.866025 0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 9 0.000000 0.000000 -1.000000 34.73467 +REMARK 290 SMTRY1 10 0.500000 -0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 10 -0.866025 -0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 10 0.000000 0.000000 -1.000000 17.36733 +REMARK 290 SMTRY1 11 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 11 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 11 0.000000 0.000000 -1.000000 52.10200 +REMARK 290 SMTRY1 12 0.500000 0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 12 0.866025 -0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 12 0.000000 0.000000 -1.000000 86.83667 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1, 2 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 +REMARK 350 BIOMOLECULE: 2 +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 1170 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 10140 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -9.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 BIOMT1 2 0.500000 0.866025 0.000000 -35.72500 +REMARK 350 BIOMT2 2 0.866025 -0.500000 0.000000 61.87752 +REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 -17.36733 +REMARK 465 +REMARK 465 MISSING RESIDUES +REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE +REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) +REMARK 465 +REMARK 465 M RES C SSSEQI +REMARK 465 GLY A 12 +REMARK 465 PRO A 13 +REMARK 465 LEU A 14 +REMARK 465 GLY A 15 +REMARK 465 SER A 16 +REMARK 465 SER A 17 +REMARK 800 +REMARK 800 SITE +REMARK 800 SITE_IDENTIFIER: AC1 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NUT A 201 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC2 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 202 +REMARK 900 +REMARK 900 RELATED ENTRIES +REMARK 900 RELATED ID: 4HFZ RELATED DB: PDB +REMARK 900 STRUCTURE SOLVED USING THE SAME SURFACE MUTATIONS OF THE SAME +REMARK 900 CONSTRUCT +DBREF 4HG7 A 17 108 UNP Q00987 MDM2_HUMAN 17 108 +SEQADV 4HG7 GLY A 12 UNP Q00987 EXPRESSION TAG +SEQADV 4HG7 PRO A 13 UNP Q00987 EXPRESSION TAG +SEQADV 4HG7 LEU A 14 UNP Q00987 EXPRESSION TAG +SEQADV 4HG7 GLY A 15 UNP Q00987 EXPRESSION TAG +SEQADV 4HG7 SER A 16 UNP Q00987 EXPRESSION TAG +SEQADV 4HG7 ALA A 69 UNP Q00987 GLU 69 ENGINEERED MUTATION +SEQADV 4HG7 ALA A 70 UNP Q00987 LYS 70 ENGINEERED MUTATION +SEQRES 1 A 97 GLY PRO LEU GLY SER SER GLN ILE PRO ALA SER GLU GLN +SEQRES 2 A 97 GLU THR LEU VAL ARG PRO LYS PRO LEU LEU LEU LYS LEU +SEQRES 3 A 97 LEU LYS SER VAL GLY ALA GLN LYS ASP THR TYR THR MET +SEQRES 4 A 97 LYS GLU VAL LEU PHE TYR LEU GLY GLN TYR ILE MET THR +SEQRES 5 A 97 LYS ARG LEU TYR ASP ALA ALA GLN GLN HIS ILE VAL TYR +SEQRES 6 A 97 CYS SER ASN ASP LEU LEU GLY ASP LEU PHE GLY VAL PRO +SEQRES 7 A 97 SER PHE SER VAL LYS GLU HIS ARG LYS ILE TYR THR MET +SEQRES 8 A 97 ILE TYR ARG ASN LEU VAL +HET NUT A 201 40 +HET SO4 A 202 5 +HETNAM NUT 4-({(4S,5R)-4,5-BIS(4-CHLOROPHENYL)-2-[4-METHOXY-2- +HETNAM 2 NUT (PROPAN-2-YLOXY)PHENYL]-4,5-DIHYDRO-1H-IMIDAZOL-1- +HETNAM 3 NUT YL}CARBONYL)PIPERAZIN-2-ONE +HETNAM SO4 SULFATE ION +HETSYN NUT NUTLIN 3A +FORMUL 2 NUT C30 H30 CL2 N4 O4 +FORMUL 3 SO4 O4 S 2- +FORMUL 4 HOH *97(H2 O) +HELIX 1 1 PRO A 20 GLU A 25 1 6 +HELIX 2 2 LYS A 31 VAL A 41 1 11 +HELIX 3 3 MET A 50 LYS A 64 1 15 +HELIX 4 4 ASP A 80 GLY A 87 1 8 +HELIX 5 5 GLU A 95 ARG A 105 1 11 +SHEET 1 A 2 LEU A 27 VAL A 28 0 +SHEET 2 A 2 TYR A 48 THR A 49 -1 O TYR A 48 N VAL A 28 +SHEET 1 B 2 ILE A 74 TYR A 76 0 +SHEET 2 B 2 SER A 90 SER A 92 -1 O PHE A 91 N VAL A 75 +SITE 1 AC1 14 PRO A 32 LEU A 54 LEU A 57 GLY A 58 +SITE 2 AC1 14 ILE A 61 MET A 62 GLN A 72 HIS A 73 +SITE 3 AC1 14 VAL A 93 HIS A 96 SO4 A 202 HOH A 307 +SITE 4 AC1 14 HOH A 327 HOH A 338 +SITE 1 AC2 9 LYS A 31 GLN A 71 GLN A 72 HIS A 73 +SITE 2 AC2 9 NUT A 201 HOH A 320 HOH A 324 HOH A 331 +SITE 3 AC2 9 HOH A 347 +CRYST1 71.450 71.450 104.204 90.00 90.00 120.00 P 65 2 2 12 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.013996 0.008080 0.000000 0.00000 +SCALE2 0.000000 0.016161 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.009597 0.00000 +ATOM 1 N GLN A 18 -33.251 16.116 -16.144 1.00 26.63 N +ANISOU 1 N GLN A 18 4640 2822 2656 -316 -1400 183 N +ATOM 2 CA GLN A 18 -33.744 16.395 -14.779 1.00 22.76 C +ANISOU 2 CA GLN A 18 3338 2405 2903 -275 -1288 305 C +ATOM 3 C GLN A 18 -33.202 17.722 -14.291 1.00 22.08 C +ANISOU 3 C GLN A 18 2621 2319 3449 -200 -497 -1 C +ATOM 4 O GLN A 18 -33.766 18.329 -13.368 1.00 24.13 O +ANISOU 4 O GLN A 18 2690 2483 3994 -237 -356 -205 O +ATOM 5 CB GLN A 18 -33.223 15.314 -13.819 1.00 21.88 C +ANISOU 5 CB GLN A 18 3432 1792 3088 -340 -1412 170 C +ATOM 6 CG GLN A 18 -33.750 13.922 -14.126 1.00 22.46 C +ANISOU 6 CG GLN A 18 3459 2103 2971 -580 -1541 -52 C +ATOM 7 CD GLN A 18 -33.207 12.844 -13.217 1.00 25.20 C +ANISOU 7 CD GLN A 18 3273 3187 3115 454 -1263 -53 C +ATOM 8 OE1 GLN A 18 -32.919 11.702 -13.662 1.00 29.66 O +ANISOU 8 OE1 GLN A 18 3349 3370 4550 232 -747 -698 O +ATOM 9 NE2 GLN A 18 -33.110 13.159 -11.948 1.00 17.15 N +ANISOU 9 NE2 GLN A 18 1933 1583 2999 -115 -781 -35 N +ATOM 10 N ILE A 19 -32.048 18.114 -14.839 1.00 17.77 N +ANISOU 10 N ILE A 19 2530 1935 2285 -338 -734 207 N +ATOM 11 CA ILE A 19 -31.388 19.371 -14.398 1.00 15.09 C +ANISOU 11 CA ILE A 19 2131 1737 1863 74 -659 62 C +ATOM 12 C ILE A 19 -31.360 20.363 -15.568 1.00 15.53 C +ANISOU 12 C ILE A 19 2361 1674 1864 182 -752 47 C +ATOM 13 O ILE A 19 -30.874 20.015 -16.645 1.00 17.20 O +ANISOU 13 O ILE A 19 2406 2015 2113 362 -660 -123 O +ATOM 14 CB ILE A 19 -29.940 19.163 -13.897 1.00 14.39 C +ANISOU 14 CB ILE A 19 2047 1801 1618 329 -410 228 C +ATOM 15 CG1 ILE A 19 -29.853 18.064 -12.782 1.00 12.77 C +ANISOU 15 CG1 ILE A 19 1935 1683 1231 127 -401 18 C +ATOM 16 CG2 ILE A 19 -29.332 20.499 -13.400 1.00 16.71 C +ANISOU 16 CG2 ILE A 19 1954 2286 2110 227 -202 -216 C +ATOM 17 CD1 ILE A 19 -30.565 18.411 -11.459 1.00 14.95 C +ANISOU 17 CD1 ILE A 19 2162 1975 1541 37 -134 -328 C +ATOM 18 N PRO A 20 -31.850 21.618 -15.350 1.00 15.79 N +ANISOU 18 N PRO A 20 2330 1730 1938 260 -608 14 N +ATOM 19 CA PRO A 20 -31.833 22.555 -16.472 1.00 16.93 C +ANISOU 19 CA PRO A 20 2676 1398 2358 320 -866 -67 C +ATOM 20 C PRO A 20 -30.406 22.832 -17.002 1.00 16.79 C +ANISOU 20 C PRO A 20 2548 1866 1964 138 -1057 145 C +ATOM 21 O PRO A 20 -29.440 22.933 -16.233 1.00 14.85 O +ANISOU 21 O PRO A 20 2305 1747 1591 299 -940 112 O +ATOM 22 CB PRO A 20 -32.480 23.840 -15.887 1.00 18.84 C +ANISOU 22 CB PRO A 20 2717 1295 3145 420 -428 91 C +ATOM 23 CG PRO A 20 -33.228 23.392 -14.660 1.00 21.77 C +ANISOU 23 CG PRO A 20 3463 2238 2569 951 -776 325 C +ATOM 24 CD PRO A 20 -32.571 22.141 -14.171 1.00 17.00 C +ANISOU 24 CD PRO A 20 2395 1895 2169 578 -544 157 C +ATOM 25 N ALA A 21 -30.285 22.997 -18.307 1.00 18.79 N +ANISOU 25 N ALA A 21 2905 2213 2022 250 -396 -137 N +ATOM 26 CA ALA A 21 -28.996 23.235 -18.942 1.00 18.45 C +ANISOU 26 CA ALA A 21 2932 2470 1605 -75 -384 67 C +ATOM 27 C ALA A 21 -28.269 24.431 -18.361 1.00 16.30 C +ANISOU 27 C ALA A 21 2630 1811 1750 274 -555 348 C +ATOM 28 O ALA A 21 -27.044 24.367 -18.157 1.00 17.22 O +ANISOU 28 O ALA A 21 2657 2174 1712 398 -620 64 O +ATOM 29 CB ALA A 21 -29.182 23.417 -20.449 1.00 21.78 C +ANISOU 29 CB ALA A 21 3815 2638 1820 308 -1291 -25 C +ATOM 30 N SER A 22 -28.998 25.516 -18.059 1.00 15.80 N +ANISOU 30 N SER A 22 2616 1886 1500 210 -835 148 N +ATOM 31 CA ASER A 22 -28.345 26.723 -17.527 0.80 15.69 C +ANISOU 31 CA ASER A 22 2635 1811 1516 415 -676 -30 C +ATOM 32 CA BSER A 22 -28.340 26.708 -17.516 0.20 15.19 C +ANISOU 32 CA BSER A 22 2460 1748 1563 299 -655 159 C +ATOM 33 C SER A 22 -27.637 26.438 -16.184 1.00 14.66 C +ANISOU 33 C SER A 22 2235 1760 1573 186 -587 265 C +ATOM 34 O SER A 22 -26.570 26.985 -15.905 1.00 15.22 O +ANISOU 34 O SER A 22 2118 1875 1790 210 -331 80 O +ATOM 35 CB ASER A 22 -29.349 27.885 -17.393 0.80 18.00 C +ANISOU 35 CB ASER A 22 2303 2321 2215 657 -523 449 C +ATOM 36 CB BSER A 22 -29.339 27.848 -17.370 0.20 15.24 C +ANISOU 36 CB BSER A 22 2316 1870 1603 397 -782 534 C +ATOM 37 OG ASER A 22 -30.358 27.609 -16.431 0.80 19.75 O +ANISOU 37 OG ASER A 22 2193 2306 3005 85 -402 427 O +ATOM 38 OG BSER A 22 -29.824 28.215 -18.642 0.20 15.16 O +ANISOU 38 OG BSER A 22 2227 1701 1831 446 -923 671 O +ATOM 39 N GLU A 23 -28.238 25.588 -15.365 1.00 13.27 N +ANISOU 39 N GLU A 23 2096 1531 1415 257 -548 46 N +ATOM 40 CA GLU A 23 -27.706 25.250 -14.063 1.00 11.57 C +ANISOU 40 CA GLU A 23 1771 1462 1163 353 -149 43 C +ATOM 41 C GLU A 23 -26.448 24.374 -14.226 1.00 12.43 C +ANISOU 41 C GLU A 23 1836 1591 1293 464 -281 -52 C +ATOM 42 O GLU A 23 -25.468 24.556 -13.499 1.00 14.56 O +ANISOU 42 O GLU A 23 1996 1841 1695 306 -436 240 O +ATOM 43 CB GLU A 23 -28.777 24.514 -13.238 1.00 12.59 C +ANISOU 43 CB GLU A 23 1860 1612 1309 214 -341 235 C +ATOM 44 CG GLU A 23 -28.287 24.177 -11.848 1.00 12.34 C +ANISOU 44 CG GLU A 23 1650 1493 1543 353 -578 286 C +ATOM 45 CD GLU A 23 -29.328 23.506 -10.983 1.00 13.98 C +ANISOU 45 CD GLU A 23 1851 1683 1775 365 -351 197 C +ATOM 46 OE1 GLU A 23 -30.501 23.358 -11.410 1.00 13.47 O +ANISOU 46 OE1 GLU A 23 1999 1782 1336 288 -445 222 O +ATOM 47 OE2 GLU A 23 -28.941 23.116 -9.853 1.00 13.93 O +ANISOU 47 OE2 GLU A 23 2487 1486 1320 427 -150 -209 O +ATOM 48 N GLN A 24 -26.479 23.471 -15.221 1.00 12.50 N +ANISOU 48 N GLN A 24 1584 1550 1615 226 -493 -215 N +ATOM 49 CA GLN A 24 -25.328 22.600 -15.501 1.00 13.66 C +ANISOU 49 CA GLN A 24 1791 1652 1745 283 -194 -182 C +ATOM 50 C GLN A 24 -24.129 23.416 -15.972 1.00 14.42 C +ANISOU 50 C GLN A 24 2127 1758 1593 247 -210 325 C +ATOM 51 O GLN A 24 -22.978 23.016 -15.766 1.00 15.26 O +ANISOU 51 O GLN A 24 2034 2152 1609 90 -218 204 O +ATOM 52 CB GLN A 24 -25.670 21.566 -16.587 1.00 14.10 C +ANISOU 52 CB GLN A 24 1895 1713 1747 132 25 -311 C +ATOM 53 CG GLN A 24 -26.841 20.662 -16.210 1.00 14.46 C +ANISOU 53 CG GLN A 24 2188 1596 1710 -162 -226 -61 C +ATOM 54 CD GLN A 24 -27.020 19.503 -17.177 1.00 18.58 C +ANISOU 54 CD GLN A 24 2896 2075 2085 -166 -348 -473 C +ATOM 55 OE1 GLN A 24 -26.041 18.835 -17.539 1.00 22.28 O +ANISOU 55 OE1 GLN A 24 3360 2345 2757 335 -464 -571 O +ATOM 56 NE2 GLN A 24 -28.266 19.248 -17.603 1.00 19.87 N +ANISOU 56 NE2 GLN A 24 3143 2237 2169 121 -820 -43 N +ATOM 57 N GLU A 25 -24.411 24.544 -16.624 1.00 14.67 N +ANISOU 57 N GLU A 25 2350 1814 1406 126 -397 307 N +ATOM 58 CA AGLU A 25 -23.328 25.316 -17.231 0.50 15.24 C +ANISOU 58 CA AGLU A 25 2618 1938 1233 143 -283 578 C +ATOM 59 CA BGLU A 25 -23.390 25.367 -17.271 0.50 15.29 C +ANISOU 59 CA BGLU A 25 2542 1946 1320 149 -363 555 C +ATOM 60 C GLU A 25 -22.832 26.463 -16.361 1.00 14.84 C +ANISOU 60 C GLU A 25 2312 1986 1338 370 -461 433 C +ATOM 61 O GLU A 25 -22.020 27.266 -16.793 1.00 21.60 O +ANISOU 61 O GLU A 25 3235 2514 2457 -118 -166 453 O +ATOM 62 CB AGLU A 25 -23.710 25.812 -18.634 0.50 16.61 C +ANISOU 62 CB AGLU A 25 2822 2281 1206 470 -336 474 C +ATOM 63 CB BGLU A 25 -23.934 25.982 -18.586 0.50 17.56 C +ANISOU 63 CB BGLU A 25 2931 2446 1291 58 -572 535 C +ATOM 64 CG AGLU A 25 -23.992 24.696 -19.628 0.50 22.33 C +ANISOU 64 CG AGLU A 25 3403 2803 2278 208 -378 -214 C +ATOM 65 CG BGLU A 25 -24.340 24.954 -19.636 0.50 21.22 C +ANISOU 65 CG BGLU A 25 3052 3438 1572 220 -1391 130 C +ATOM 66 CD AGLU A 25 -22.764 23.851 -19.922 0.50 21.72 C +ANISOU 66 CD AGLU A 25 3929 3237 1087 746 -361 -13 C +ATOM 67 CD BGLU A 25 -25.021 25.525 -20.879 0.50 26.01 C +ANISOU 67 CD BGLU A 25 3651 3640 2591 1145 -1344 203 C +ATOM 68 OE1AGLU A 25 -22.915 22.672 -20.297 0.50 30.23 O +ANISOU 68 OE1AGLU A 25 5597 3249 2639 543 -127 -348 O +ATOM 69 OE1BGLU A 25 -25.758 26.538 -20.824 0.50 27.52 O +ANISOU 69 OE1BGLU A 25 3838 3314 3304 1529 -879 1017 O +ATOM 70 OE2AGLU A 25 -21.642 24.363 -19.781 0.50 25.51 O +ANISOU 70 OE2AGLU A 25 3740 3979 1971 983 -71 -74 O +ATOM 71 OE2BGLU A 25 -24.842 24.920 -21.950 0.50 39.48 O +ANISOU 71 OE2BGLU A 25 5766 5705 3530 283 55 -1047 O +ATOM 72 N THR A 26 -23.281 26.509 -15.104 1.00 14.27 N +ANISOU 72 N THR A 26 2117 1823 1480 364 -543 171 N +ATOM 73 CA THR A 26 -22.842 27.558 -14.172 1.00 15.62 C +ANISOU 73 CA THR A 26 2160 1926 1849 165 -569 51 C +ATOM 74 C THR A 26 -21.462 27.224 -13.603 1.00 15.85 C +ANISOU 74 C THR A 26 2243 2018 1759 139 -516 219 C +ATOM 75 O THR A 26 -21.225 26.077 -13.205 1.00 15.10 O +ANISOU 75 O THR A 26 2039 1641 2057 -38 -339 96 O +ATOM 76 CB THR A 26 -23.883 27.687 -13.037 1.00 16.30 C +ANISOU 76 CB THR A 26 2216 2042 1934 271 -461 -87 C +ATOM 77 OG1 THR A 26 -25.091 28.192 -13.629 1.00 21.42 O +ANISOU 77 OG1 THR A 26 2551 2646 2940 360 -1031 -377 O +ATOM 78 CG2 THR A 26 -23.447 28.670 -11.975 1.00 17.75 C +ANISOU 78 CG2 THR A 26 2486 2193 2063 -226 -285 66 C +ATOM 79 N LEU A 27 -20.570 28.218 -13.588 1.00 15.17 N +ANISOU 79 N LEU A 27 1898 2232 1631 55 -479 130 N +ATOM 80 CA LEU A 27 -19.212 28.063 -13.030 1.00 14.25 C +ANISOU 80 CA LEU A 27 1936 1711 1766 -65 -482 578 C +ATOM 81 C LEU A 27 -19.252 28.024 -11.506 1.00 15.15 C +ANISOU 81 C LEU A 27 2201 1738 1815 125 -550 272 C +ATOM 82 O LEU A 27 -19.839 28.918 -10.873 1.00 15.64 O +ANISOU 82 O LEU A 27 2210 2017 1713 235 -442 373 O +ATOM 83 CB LEU A 27 -18.283 29.193 -13.512 1.00 16.16 C +ANISOU 83 CB LEU A 27 2037 1993 2108 -167 -296 672 C +ATOM 84 CG LEU A 27 -16.777 28.995 -13.263 1.00 19.41 C +ANISOU 84 CG LEU A 27 2214 2139 3022 -159 -394 315 C +ATOM 85 CD1 LEU A 27 -16.222 27.959 -14.241 1.00 21.37 C +ANISOU 85 CD1 LEU A 27 2366 2303 3450 634 -154 453 C +ATOM 86 CD2 LEU A 27 -16.050 30.325 -13.415 1.00 23.69 C +ANISOU 86 CD2 LEU A 27 2612 2629 3757 -541 -142 519 C +ATOM 87 N VAL A 28 -18.608 27.015 -10.910 1.00 14.49 N +ANISOU 87 N VAL A 28 2193 1493 1819 -160 -563 307 N +ATOM 88 CA VAL A 28 -18.543 26.887 -9.458 1.00 15.32 C +ANISOU 88 CA VAL A 28 2067 1758 1995 -378 -533 532 C +ATOM 89 C VAL A 28 -17.112 26.638 -8.995 1.00 15.78 C +ANISOU 89 C VAL A 28 2190 1754 2051 -188 -661 175 C +ATOM 90 O VAL A 28 -16.222 26.321 -9.811 1.00 15.89 O +ANISOU 90 O VAL A 28 2005 1809 2223 -39 -551 473 O +ATOM 91 CB VAL A 28 -19.461 25.735 -8.965 1.00 13.82 C +ANISOU 91 CB VAL A 28 1736 1714 1801 -136 -424 610 C +ATOM 92 CG1 VAL A 28 -20.934 26.068 -9.313 1.00 17.35 C +ANISOU 92 CG1 VAL A 28 1859 2517 2217 -24 -698 671 C +ATOM 93 CG2 VAL A 28 -19.030 24.400 -9.592 1.00 16.56 C +ANISOU 93 CG2 VAL A 28 2329 1725 2235 -434 -474 463 C +ATOM 94 N ARG A 29 -16.904 26.762 -7.682 1.00 14.38 N +ANISOU 94 N ARG A 29 1823 1628 2010 3 -704 634 N +ATOM 95 CA ARG A 29 -15.579 26.613 -7.073 1.00 13.71 C +ANISOU 95 CA ARG A 29 1776 1240 2191 -167 -843 241 C +ATOM 96 C ARG A 29 -15.649 25.531 -6.029 1.00 13.63 C +ANISOU 96 C ARG A 29 1898 1374 1907 -253 -739 126 C +ATOM 97 O ARG A 29 -16.136 25.779 -4.930 1.00 14.66 O +ANISOU 97 O ARG A 29 2062 1520 1988 -218 -721 148 O +ATOM 98 CB ARG A 29 -15.109 27.923 -6.425 1.00 15.65 C +ANISOU 98 CB ARG A 29 1991 1406 2549 -729 -476 307 C +ATOM 99 CG ARG A 29 -13.683 27.868 -5.884 1.00 21.97 C +ANISOU 99 CG ARG A 29 2555 2305 3487 -539 -1276 224 C +ATOM 100 CD ARG A 29 -13.241 29.194 -5.290 1.00 27.46 C +ANISOU 100 CD ARG A 29 4330 2716 3385 -1549 -757 368 C +ATOM 101 NE ARG A 29 -13.150 30.249 -6.290 1.00 32.40 N +ANISOU 101 NE ARG A 29 5718 2374 4216 -1757 -892 456 N +ATOM 102 CZ ARG A 29 -12.098 30.469 -7.085 1.00 38.59 C +ANISOU 102 CZ ARG A 29 6046 3877 4736 -601 -243 1252 C +ATOM 103 NH1 ARG A 29 -11.008 29.687 -7.031 1.00 33.71 N +ANISOU 103 NH1 ARG A 29 4592 3489 4725 -1999 -448 706 N +ATOM 104 NH2 ARG A 29 -12.143 31.485 -7.941 1.00 32.09 N +ANISOU 104 NH2 ARG A 29 4541 3571 4077 -343 -1348 885 N +ATOM 105 N PRO A 30 -15.181 24.316 -6.348 1.00 13.07 N +ANISOU 105 N PRO A 30 1693 1467 1805 -115 -663 269 N +ATOM 106 CA PRO A 30 -15.167 23.263 -5.294 1.00 13.18 C +ANISOU 106 CA PRO A 30 1905 1272 1828 43 -843 239 C +ATOM 107 C PRO A 30 -14.380 23.676 -4.026 1.00 14.69 C +ANISOU 107 C PRO A 30 2222 1502 1854 -115 -915 298 C +ATOM 108 O PRO A 30 -13.327 24.342 -4.121 1.00 16.92 O +ANISOU 108 O PRO A 30 2160 2071 2196 -149 -807 82 O +ATOM 109 CB PRO A 30 -14.405 22.110 -5.977 1.00 13.49 C +ANISOU 109 CB PRO A 30 2277 1242 1605 115 -788 235 C +ATOM 110 CG PRO A 30 -14.762 22.288 -7.456 1.00 15.77 C +ANISOU 110 CG PRO A 30 2552 1571 1867 -69 -942 969 C +ATOM 111 CD PRO A 30 -14.720 23.808 -7.660 1.00 14.98 C +ANISOU 111 CD PRO A 30 2158 1416 2117 118 -322 321 C +ATOM 112 N LYS A 31 -14.847 23.256 -2.852 1.00 14.59 N +ANISOU 112 N LYS A 31 2113 1686 1741 -220 -994 216 N +ATOM 113 CA LYS A 31 -13.977 23.335 -1.654 1.00 13.86 C +ANISOU 113 CA LYS A 31 1899 1465 1899 -226 -993 85 C +ATOM 114 C LYS A 31 -12.770 22.350 -1.863 1.00 15.59 C +ANISOU 114 C LYS A 31 1973 1674 2275 -103 -1118 -140 C +ATOM 115 O LYS A 31 -12.827 21.470 -2.737 1.00 14.44 O +ANISOU 115 O LYS A 31 2139 1438 1909 56 -1123 47 O +ATOM 116 CB LYS A 31 -14.767 22.947 -0.377 1.00 14.58 C +ANISOU 116 CB LYS A 31 2468 1600 1472 211 -811 -37 C +ATOM 117 CG LYS A 31 -15.923 23.899 -0.039 1.00 17.58 C +ANISOU 117 CG LYS A 31 2326 2106 2245 454 -848 231 C +ATOM 118 CD LYS A 31 -16.698 23.330 1.174 1.00 18.03 C +ANISOU 118 CD LYS A 31 2601 2157 2089 601 -574 207 C +ATOM 119 CE LYS A 31 -17.917 24.171 1.536 1.00 22.36 C +ANISOU 119 CE LYS A 31 3021 3146 2329 825 -362 294 C +ATOM 120 NZ LYS A 31 -18.520 23.621 2.790 1.00 22.36 N +ANISOU 120 NZ LYS A 31 2599 3744 2152 -38 -839 429 N +ATOM 121 N PRO A 32 -11.689 22.496 -1.083 1.00 14.00 N +ANISOU 121 N PRO A 32 1862 1556 1900 -232 -933 80 N +ATOM 122 CA PRO A 32 -10.471 21.711 -1.373 1.00 14.88 C +ANISOU 122 CA PRO A 32 1762 1640 2249 -417 -1129 215 C +ATOM 123 C PRO A 32 -10.620 20.195 -1.342 1.00 15.12 C +ANISOU 123 C PRO A 32 1852 1578 2312 -122 -1028 396 C +ATOM 124 O PRO A 32 -9.906 19.527 -2.091 1.00 17.98 O +ANISOU 124 O PRO A 32 2099 1665 3066 -161 -977 28 O +ATOM 125 CB PRO A 32 -9.494 22.178 -0.287 1.00 16.13 C +ANISOU 125 CB PRO A 32 1937 1600 2588 -449 -1406 239 C +ATOM 126 CG PRO A 32 -9.899 23.610 -0.065 1.00 17.20 C +ANISOU 126 CG PRO A 32 1719 1826 2989 -200 -948 225 C +ATOM 127 CD PRO A 32 -11.432 23.532 -0.055 1.00 15.96 C +ANISOU 127 CD PRO A 32 1743 1545 2777 -552 -1099 -268 C +ATOM 128 N LEU A 33 -11.503 19.630 -0.497 1.00 14.16 N +ANISOU 128 N LEU A 33 1915 1290 2174 -271 -979 276 N +ATOM 129 CA LEU A 33 -11.629 18.164 -0.491 1.00 13.71 C +ANISOU 129 CA LEU A 33 1711 1414 2082 -517 -791 161 C +ATOM 130 C LEU A 33 -12.263 17.635 -1.782 1.00 13.85 C +ANISOU 130 C LEU A 33 1784 1416 2061 -122 -976 240 C +ATOM 131 O LEU A 33 -11.824 16.615 -2.303 1.00 15.54 O +ANISOU 131 O LEU A 33 1737 1665 2499 255 -1029 10 O +ATOM 132 CB LEU A 33 -12.380 17.667 0.750 1.00 15.11 C +ANISOU 132 CB LEU A 33 2073 1711 1957 -291 -689 444 C +ATOM 133 CG LEU A 33 -11.661 17.938 2.072 1.00 16.99 C +ANISOU 133 CG LEU A 33 2367 2149 1939 -247 -782 576 C +ATOM 134 CD1 LEU A 33 -12.505 17.536 3.265 1.00 19.43 C +ANISOU 134 CD1 LEU A 33 2345 2353 2681 -697 -340 630 C +ATOM 135 CD2 LEU A 33 -10.289 17.279 2.121 1.00 19.80 C +ANISOU 135 CD2 LEU A 33 2364 2755 2402 -149 -1062 685 C +ATOM 136 N LEU A 34 -13.298 18.296 -2.281 1.00 13.66 N +ANISOU 136 N LEU A 34 1632 1634 1924 -361 -1154 212 N +ATOM 137 CA LEU A 34 -13.846 17.888 -3.563 1.00 12.93 C +ANISOU 137 CA LEU A 34 1544 1714 1653 -21 -876 108 C +ATOM 138 C LEU A 34 -12.805 18.134 -4.651 1.00 13.48 C +ANISOU 138 C LEU A 34 1558 1570 1992 -24 -789 169 C +ATOM 139 O LEU A 34 -12.677 17.308 -5.588 1.00 15.20 O +ANISOU 139 O LEU A 34 1795 1697 2282 150 -909 -9 O +ATOM 140 CB LEU A 34 -15.147 18.621 -3.880 1.00 13.60 C +ANISOU 140 CB LEU A 34 1946 1479 1742 162 -1097 227 C +ATOM 141 CG LEU A 34 -15.764 18.385 -5.268 1.00 13.33 C +ANISOU 141 CG LEU A 34 1680 1486 1896 55 -997 -316 C +ATOM 142 CD1 LEU A 34 -16.003 16.885 -5.555 1.00 14.65 C +ANISOU 142 CD1 LEU A 34 1914 1564 2088 117 -737 -679 C +ATOM 143 CD2 LEU A 34 -17.067 19.162 -5.437 1.00 16.29 C +ANISOU 143 CD2 LEU A 34 1920 1803 2465 397 -889 -370 C +ATOM 144 N LEU A 35 -12.069 19.248 -4.547 1.00 13.80 N +ANISOU 144 N LEU A 35 1435 1689 2119 -103 -567 363 N +ATOM 145 CA LEU A 35 -11.061 19.550 -5.571 1.00 15.22 C +ANISOU 145 CA LEU A 35 1952 1599 2230 -314 -248 256 C +ATOM 146 C LEU A 35 -10.012 18.424 -5.630 1.00 18.01 C +ANISOU 146 C LEU A 35 2072 2112 2656 -33 -718 335 C +ATOM 147 O LEU A 35 -9.621 18.009 -6.726 1.00 18.84 O +ANISOU 147 O LEU A 35 2100 2397 2659 -395 -300 149 O +ATOM 148 CB LEU A 35 -10.383 20.916 -5.327 1.00 19.62 C +ANISOU 148 CB LEU A 35 2628 2088 2737 -945 -457 154 C +ATOM 149 CG LEU A 35 -9.569 21.462 -6.513 1.00 22.63 C +ANISOU 149 CG LEU A 35 3041 2287 3271 -659 -305 572 C +ATOM 150 CD1 LEU A 35 -10.470 21.765 -7.700 1.00 25.75 C +ANISOU 150 CD1 LEU A 35 3898 2736 3148 -501 -527 692 C +ATOM 151 CD2 LEU A 35 -8.857 22.738 -6.081 1.00 27.69 C +ANISOU 151 CD2 LEU A 35 3380 2700 4438 -1402 -848 1134 C +ATOM 152 N LYS A 36 -9.569 17.940 -4.466 1.00 16.70 N +ANISOU 152 N LYS A 36 1767 2022 2555 -77 -745 375 N +ATOM 153 CA LYS A 36 -8.657 16.773 -4.362 1.00 18.01 C +ANISOU 153 CA LYS A 36 1842 2309 2689 238 -900 206 C +ATOM 154 C LYS A 36 -9.157 15.574 -5.186 1.00 18.81 C +ANISOU 154 C LYS A 36 1797 2192 3155 180 -493 90 C +ATOM 155 O LYS A 36 -8.394 14.946 -5.935 1.00 20.68 O +ANISOU 155 O LYS A 36 2061 3126 2670 638 -557 132 O +ATOM 156 CB LYS A 36 -8.448 16.347 -2.887 1.00 18.31 C +ANISOU 156 CB LYS A 36 1599 2682 2675 389 -979 318 C +ATOM 157 CG LYS A 36 -7.600 15.068 -2.671 1.00 27.44 C +ANISOU 157 CG LYS A 36 3756 3162 3505 1229 -1132 820 C +ATOM 158 CD LYS A 36 -7.466 14.629 -1.183 1.00 26.47 C +ANISOU 158 CD LYS A 36 4085 2674 3297 1594 -1208 432 C +ATOM 159 CE LYS A 36 -6.844 13.245 -0.985 1.00 39.07 C +ANISOU 159 CE LYS A 36 5595 4054 5196 2852 -1446 -288 C +ATOM 160 NZ LYS A 36 -5.442 13.217 -1.459 1.00 52.34 N +ANISOU 160 NZ LYS A 36 6093 6940 6853 3225 139 262 N +ATOM 161 N LEU A 37 -10.435 15.248 -4.996 1.00 16.56 N +ANISOU 161 N LEU A 37 1776 2153 2362 234 -667 87 N +ATOM 162 CA ALEU A 37 -11.074 14.181 -5.722 0.80 16.88 C +ANISOU 162 CA ALEU A 37 1831 1934 2648 -14 -398 235 C +ATOM 163 CA BLEU A 37 -11.110 14.185 -5.745 0.20 16.62 C +ANISOU 163 CA BLEU A 37 1799 1959 2556 176 -500 142 C +ATOM 164 C LEU A 37 -10.994 14.398 -7.244 1.00 15.74 C +ANISOU 164 C LEU A 37 1624 1776 2579 410 -458 276 C +ATOM 165 O LEU A 37 -10.601 13.485 -8.004 1.00 19.03 O +ANISOU 165 O LEU A 37 2199 1965 3065 613 -96 124 O +ATOM 166 CB ALEU A 37 -12.517 14.074 -5.247 0.80 18.13 C +ANISOU 166 CB ALEU A 37 1970 2398 2519 334 -185 597 C +ATOM 167 CB BLEU A 37 -12.597 14.123 -5.389 0.20 17.04 C +ANISOU 167 CB BLEU A 37 1866 2205 2402 261 -397 220 C +ATOM 168 CG ALEU A 37 -13.303 12.825 -5.576 0.80 17.96 C +ANISOU 168 CG ALEU A 37 2511 1716 2595 809 -188 178 C +ATOM 169 CG BLEU A 37 -13.025 13.500 -4.072 0.20 17.30 C +ANISOU 169 CG BLEU A 37 2257 1997 2317 341 -390 115 C +ATOM 170 CD1ALEU A 37 -14.388 12.587 -4.514 0.80 21.75 C +ANISOU 170 CD1ALEU A 37 2453 2454 3353 -180 88 444 C +ATOM 171 CD1BLEU A 37 -14.530 13.288 -4.075 0.20 16.85 C +ANISOU 171 CD1BLEU A 37 2218 2209 1975 447 69 -123 C +ATOM 172 CD2ALEU A 37 -13.907 12.941 -6.965 0.80 18.88 C +ANISOU 172 CD2ALEU A 37 1945 2082 3143 855 -633 -19 C +ATOM 173 CD2BLEU A 37 -12.296 12.182 -3.898 0.20 17.49 C +ANISOU 173 CD2BLEU A 37 1993 1921 2730 271 -543 -70 C +ATOM 174 N LEU A 38 -11.366 15.583 -7.699 1.00 14.85 N +ANISOU 174 N LEU A 38 1563 1690 2387 118 -377 288 N +ATOM 175 CA LEU A 38 -11.334 15.871 -9.128 1.00 15.76 C +ANISOU 175 CA LEU A 38 1852 1779 2357 625 -83 332 C +ATOM 176 C LEU A 38 -9.913 15.810 -9.692 1.00 17.86 C +ANISOU 176 C LEU A 38 1736 2358 2690 269 -238 464 C +ATOM 177 O LEU A 38 -9.712 15.249 -10.771 1.00 19.22 O +ANISOU 177 O LEU A 38 2253 2563 2487 376 -146 245 O +ATOM 178 CB LEU A 38 -11.965 17.248 -9.413 1.00 17.36 C +ANISOU 178 CB LEU A 38 2438 1870 2286 779 -170 323 C +ATOM 179 CG LEU A 38 -13.399 17.427 -8.890 1.00 19.92 C +ANISOU 179 CG LEU A 38 2042 1979 3544 591 -579 -8 C +ATOM 180 CD1 LEU A 38 -13.897 18.828 -9.233 1.00 21.77 C +ANISOU 180 CD1 LEU A 38 2939 2158 3172 522 -1159 404 C +ATOM 181 CD2 LEU A 38 -14.403 16.354 -9.330 1.00 21.39 C +ANISOU 181 CD2 LEU A 38 2251 2679 3194 261 -545 -43 C +ATOM 182 N LYS A 39 -8.941 16.369 -8.958 1.00 17.27 N +ANISOU 182 N LYS A 39 1581 2306 2674 156 -43 373 N +ATOM 183 CA ALYS A 39 -7.535 16.370 -9.384 0.80 20.32 C +ANISOU 183 CA ALYS A 39 1440 2772 3506 495 -174 261 C +ATOM 184 CA BLYS A 39 -7.542 16.372 -9.384 0.20 19.02 C +ANISOU 184 CA BLYS A 39 1580 2574 3072 188 -14 383 C +ATOM 185 C LYS A 39 -7.005 14.948 -9.502 1.00 20.77 C +ANISOU 185 C LYS A 39 1914 2602 3373 333 143 357 C +ATOM 186 O LYS A 39 -6.138 14.674 -10.339 1.00 22.91 O +ANISOU 186 O LYS A 39 2043 3079 3581 432 259 210 O +ATOM 187 CB ALYS A 39 -6.664 17.118 -8.365 0.80 27.22 C +ANISOU 187 CB ALYS A 39 2285 3428 4626 -285 -185 -341 C +ATOM 188 CB BLYS A 39 -6.683 17.175 -8.399 0.20 22.26 C +ANISOU 188 CB BLYS A 39 1994 3168 3295 -426 -18 381 C +ATOM 189 CG ALYS A 39 -6.998 18.593 -8.197 0.80 35.34 C +ANISOU 189 CG ALYS A 39 3461 3801 6167 -15 679 -1196 C +ATOM 190 CG BLYS A 39 -6.841 18.687 -8.504 0.20 16.46 C +ANISOU 190 CG BLYS A 39 1947 2806 1499 -1308 515 897 C +ATOM 191 CD ALYS A 39 -6.122 19.481 -9.058 0.80 46.73 C +ANISOU 191 CD ALYS A 39 4811 5447 7497 -572 819 -31 C +ATOM 192 CD BLYS A 39 -5.676 19.332 -9.235 0.20 24.97 C +ANISOU 192 CD BLYS A 39 2380 5093 2014 -1995 41 1153 C +ATOM 193 CE ALYS A 39 -6.504 20.944 -8.911 0.80 50.95 C +ANISOU 193 CE ALYS A 39 5353 5818 8184 -311 -309 -1517 C +ATOM 194 CE BLYS A 39 -5.863 20.837 -9.350 0.20 32.23 C +ANISOU 194 CE BLYS A 39 3810 4860 3573 -391 -551 914 C +ATOM 195 NZ ALYS A 39 -5.934 21.539 -7.673 0.80 45.67 N +ANISOU 195 NZ ALYS A 39 4217 5853 7283 2315 -1128 -828 N +ATOM 196 NZ BLYS A 39 -7.231 21.202 -9.814 0.20 27.20 N +ANISOU 196 NZ BLYS A 39 4825 2698 2808 -90 -1194 1608 N +ATOM 197 N SER A 40 -7.510 14.045 -8.650 1.00 20.31 N +ANISOU 197 N SER A 40 2050 2341 3323 140 -514 432 N +ATOM 198 CA SER A 40 -7.035 12.661 -8.650 1.00 20.43 C +ANISOU 198 CA SER A 40 2383 2350 3031 379 222 402 C +ATOM 199 C SER A 40 -7.358 11.925 -9.970 1.00 21.56 C +ANISOU 199 C SER A 40 2307 2703 3182 991 99 -57 C +ATOM 200 O SER A 40 -6.747 10.895 -10.276 1.00 26.02 O +ANISOU 200 O SER A 40 2461 3246 4179 1445 863 112 O +ATOM 201 CB SER A 40 -7.577 11.860 -7.450 1.00 21.29 C +ANISOU 201 CB SER A 40 2237 2438 3414 635 92 1087 C +ATOM 202 OG SER A 40 -8.902 11.408 -7.660 1.00 22.40 O +ANISOU 202 OG SER A 40 2618 2577 3313 534 -4 481 O +ATOM 203 N VAL A 41 -8.320 12.450 -10.729 1.00 20.85 N +ANISOU 203 N VAL A 41 2360 3066 2493 256 72 457 N +ATOM 204 CA VAL A 41 -8.633 11.890 -12.054 1.00 22.32 C +ANISOU 204 CA VAL A 41 2144 3185 3151 63 -201 -32 C +ATOM 205 C VAL A 41 -8.337 12.882 -13.186 1.00 25.13 C +ANISOU 205 C VAL A 41 2499 3581 3466 305 -201 220 C +ATOM 206 O VAL A 41 -8.910 12.814 -14.273 1.00 29.35 O +ANISOU 206 O VAL A 41 3330 4044 3775 -2 -700 -206 O +ATOM 207 CB VAL A 41 -10.066 11.325 -12.141 1.00 20.54 C +ANISOU 207 CB VAL A 41 2322 2422 3058 -163 330 -92 C +ATOM 208 CG1 VAL A 41 -10.173 10.030 -11.340 1.00 21.52 C +ANISOU 208 CG1 VAL A 41 1818 2620 3736 -204 654 265 C +ATOM 209 CG2 VAL A 41 -11.087 12.354 -11.688 1.00 23.39 C +ANISOU 209 CG2 VAL A 41 1924 3372 3588 126 -3 -196 C +ATOM 210 N GLY A 42 -7.410 13.792 -12.921 1.00 22.53 N +ANISOU 210 N GLY A 42 2489 2776 3293 465 444 101 N +ATOM 211 CA GLY A 42 -6.778 14.567 -13.977 1.00 26.78 C +ANISOU 211 CA GLY A 42 3437 3456 3280 434 182 797 C +ATOM 212 C GLY A 42 -7.330 15.966 -14.175 1.00 28.06 C +ANISOU 212 C GLY A 42 2937 3446 4275 442 983 535 C +ATOM 213 O GLY A 42 -6.894 16.683 -15.081 1.00 29.01 O +ANISOU 213 O GLY A 42 3508 4133 3378 649 1013 604 O +ATOM 214 N ALA A 43 -8.254 16.396 -13.328 1.00 22.63 N +ANISOU 214 N ALA A 43 2120 3158 3320 131 393 766 N +ATOM 215 CA ALA A 43 -8.718 17.778 -13.451 1.00 26.76 C +ANISOU 215 CA ALA A 43 2737 3161 4268 193 656 756 C +ATOM 216 C ALA A 43 -7.592 18.747 -13.070 1.00 31.60 C +ANISOU 216 C ALA A 43 3305 4195 4504 -193 -148 985 C +ATOM 217 O ALA A 43 -6.753 18.439 -12.215 1.00 34.55 O +ANISOU 217 O ALA A 43 3433 5076 4615 -664 -544 732 O +ATOM 218 CB ALA A 43 -9.971 18.001 -12.625 1.00 24.13 C +ANISOU 218 CB ALA A 43 2563 2942 3662 357 421 895 C +ATOM 219 N GLN A 44 -7.539 19.900 -13.722 1.00 29.02 N +ANISOU 219 N GLN A 44 2507 3463 5054 275 1068 469 N +ATOM 220 CA GLN A 44 -6.370 20.783 -13.560 1.00 36.59 C +ANISOU 220 CA GLN A 44 3982 4096 5821 -670 1429 -273 C +ATOM 221 C GLN A 44 -6.634 22.220 -13.106 1.00 38.50 C +ANISOU 221 C GLN A 44 3455 3678 7494 213 323 287 C +ATOM 222 O GLN A 44 -5.698 23.010 -12.995 1.00 49.02 O +ANISOU 222 O GLN A 44 3009 5657 9957 -236 145 408 O +ATOM 223 CB GLN A 44 -5.545 20.792 -14.848 1.00 41.85 C +ANISOU 223 CB GLN A 44 4356 5111 6431 -2 2037 642 C +ATOM 224 CG GLN A 44 -4.759 19.512 -15.064 1.00 44.13 C +ANISOU 224 CG GLN A 44 4714 5952 6101 306 1851 -252 C +ATOM 225 CD GLN A 44 -3.743 19.664 -16.160 1.00 36.81 C +ANISOU 225 CD GLN A 44 4008 5994 3984 978 487 -134 C +ATOM 226 OE1 GLN A 44 -4.096 19.773 -17.343 1.00 50.75 O +ANISOU 226 OE1 GLN A 44 7044 8120 4117 -126 -15 1012 O +ATOM 227 NE2 GLN A 44 -2.467 19.680 -15.781 1.00 47.46 N +ANISOU 227 NE2 GLN A 44 4246 6085 7699 -356 17 -545 N +ATOM 228 N LYS A 45 -7.889 22.552 -12.833 1.00 33.17 N +ANISOU 228 N LYS A 45 3195 4080 5327 -271 588 410 N +ATOM 229 CA LYS A 45 -8.305 23.942 -12.588 1.00 29.68 C +ANISOU 229 CA LYS A 45 2900 3965 4409 -455 301 758 C +ATOM 230 C LYS A 45 -8.889 24.065 -11.184 1.00 28.42 C +ANISOU 230 C LYS A 45 2999 3346 4452 -210 230 786 C +ATOM 231 O LYS A 45 -9.115 23.053 -10.528 1.00 24.06 O +ANISOU 231 O LYS A 45 2254 3049 3838 78 -356 762 O +ATOM 232 CB LYS A 45 -9.380 24.342 -13.600 1.00 36.24 C +ANISOU 232 CB LYS A 45 4538 4767 4461 -115 295 2205 C +ATOM 233 CG LYS A 45 -8.996 24.188 -15.069 1.00 47.61 C +ANISOU 233 CG LYS A 45 6243 6848 4998 1015 -54 566 C +ATOM 234 CD LYS A 45 -10.193 24.471 -15.969 1.00 47.58 C +ANISOU 234 CD LYS A 45 7347 7074 3656 241 -824 -640 C +ATOM 235 CE LYS A 45 -11.296 23.436 -15.778 1.00 54.67 C +ANISOU 235 CE LYS A 45 7562 7231 5976 165 -901 -494 C +ATOM 236 NZ LYS A 45 -12.624 23.910 -16.255 1.00 53.09 N +ANISOU 236 NZ LYS A 45 6576 4874 8722 -368 692 905 N +ATOM 237 N ASP A 46 -9.156 25.298 -10.746 1.00 22.74 N +ANISOU 237 N ASP A 46 1776 3451 3410 -403 -182 290 N +ATOM 238 CA ASP A 46 -9.816 25.549 -9.469 1.00 22.20 C +ANISOU 238 CA ASP A 46 2133 2657 3643 -225 -304 331 C +ATOM 239 C ASP A 46 -11.323 25.763 -9.624 1.00 20.26 C +ANISOU 239 C ASP A 46 2049 2865 2781 -447 -609 1194 C +ATOM 240 O ASP A 46 -12.053 25.720 -8.632 1.00 21.43 O +ANISOU 240 O ASP A 46 2362 2615 3162 -634 -373 693 O +ATOM 241 CB ASP A 46 -9.221 26.800 -8.802 1.00 27.42 C +ANISOU 241 CB ASP A 46 2734 3165 4518 -862 -834 210 C +ATOM 242 CG ASP A 46 -7.786 26.592 -8.336 1.00 34.01 C +ANISOU 242 CG ASP A 46 2796 3390 6734 -470 -997 586 C +ATOM 243 OD1 ASP A 46 -7.444 25.474 -7.892 1.00 33.09 O +ANISOU 243 OD1 ASP A 46 2422 4588 5560 -202 -960 1587 O +ATOM 244 OD2 ASP A 46 -6.996 27.557 -8.405 1.00 43.70 O +ANISOU 244 OD2 ASP A 46 2779 5750 8072 -1718 -842 543 O +ATOM 245 N THR A 47 -11.781 26.071 -10.845 1.00 17.73 N +ANISOU 245 N THR A 47 1742 2510 2484 -311 -506 399 N +ATOM 246 CA THR A 47 -13.216 26.316 -11.078 1.00 15.76 C +ANISOU 246 CA THR A 47 1837 1811 2339 -328 -658 380 C +ATOM 247 C THR A 47 -13.683 25.483 -12.252 1.00 17.16 C +ANISOU 247 C THR A 47 2073 2099 2347 -338 -509 369 C +ATOM 248 O THR A 47 -12.905 25.234 -13.162 1.00 20.22 O +ANISOU 248 O THR A 47 2311 2482 2888 -44 129 712 O +ATOM 249 CB THR A 47 -13.522 27.801 -11.344 1.00 18.68 C +ANISOU 249 CB THR A 47 2611 1950 2534 -221 -480 689 C +ATOM 250 OG1 THR A 47 -12.814 28.268 -12.496 1.00 23.64 O +ANISOU 250 OG1 THR A 47 2992 2440 3548 -763 -141 946 O +ATOM 251 CG2 THR A 47 -13.095 28.643 -10.135 1.00 23.97 C +ANISOU 251 CG2 THR A 47 3695 2819 2591 -355 -900 357 C +ATOM 252 N TYR A 48 -14.947 25.046 -12.211 1.00 16.31 N +ANISOU 252 N TYR A 48 2019 1892 2283 -427 -676 537 N +ATOM 253 CA TYR A 48 -15.509 24.142 -13.216 1.00 15.12 C +ANISOU 253 CA TYR A 48 1959 1816 1969 133 -724 419 C +ATOM 254 C TYR A 48 -16.980 24.461 -13.392 1.00 14.39 C +ANISOU 254 C TYR A 48 1876 1721 1869 189 -464 463 C +ATOM 255 O TYR A 48 -17.618 24.954 -12.456 1.00 17.68 O +ANISOU 255 O TYR A 48 2049 2311 2356 206 -388 100 O +ATOM 256 CB TYR A 48 -15.462 22.705 -12.691 1.00 17.93 C +ANISOU 256 CB TYR A 48 2177 1753 2881 112 -524 375 C +ATOM 257 CG TYR A 48 -14.063 22.223 -12.426 1.00 22.80 C +ANISOU 257 CG TYR A 48 2134 2752 3777 21 -673 441 C +ATOM 258 CD1 TYR A 48 -13.458 22.436 -11.166 1.00 21.36 C +ANISOU 258 CD1 TYR A 48 2250 2451 3414 -255 -501 981 C +ATOM 259 CD2 TYR A 48 -13.331 21.600 -13.410 1.00 26.80 C +ANISOU 259 CD2 TYR A 48 1981 3103 5099 -4 -311 -116 C +ATOM 260 CE1 TYR A 48 -12.182 22.003 -10.899 1.00 24.00 C +ANISOU 260 CE1 TYR A 48 2320 2684 4114 -104 -444 505 C +ATOM 261 CE2 TYR A 48 -12.018 21.160 -13.152 1.00 27.16 C +ANISOU 261 CE2 TYR A 48 2566 3311 4440 697 -803 311 C +ATOM 262 CZ TYR A 48 -11.459 21.369 -11.909 1.00 25.51 C +ANISOU 262 CZ TYR A 48 2449 2766 4478 56 -283 82 C +ATOM 263 OH TYR A 48 -10.179 20.943 -11.641 1.00 28.46 O +ANISOU 263 OH TYR A 48 2644 4340 3829 503 -197 483 O +ATOM 264 N THR A 49 -17.571 24.105 -14.525 1.00 14.72 N +ANISOU 264 N THR A 49 1839 1746 2006 162 -531 486 N +ATOM 265 CA THR A 49 -19.054 24.098 -14.542 1.00 14.61 C +ANISOU 265 CA THR A 49 1886 2042 1623 245 -312 484 C +ATOM 266 C THR A 49 -19.559 22.870 -13.769 1.00 14.96 C +ANISOU 266 C THR A 49 2029 1780 1872 184 -301 331 C +ATOM 267 O THR A 49 -18.813 21.881 -13.564 1.00 14.38 O +ANISOU 267 O THR A 49 1777 1828 1858 228 -429 68 O +ATOM 268 CB THR A 49 -19.609 24.015 -15.960 1.00 17.21 C +ANISOU 268 CB THR A 49 2829 2054 1655 101 -511 274 C +ATOM 269 OG1 THR A 49 -19.184 22.772 -16.543 1.00 16.36 O +ANISOU 269 OG1 THR A 49 2464 2055 1697 70 -237 317 O +ATOM 270 CG2 THR A 49 -19.132 25.216 -16.808 1.00 21.46 C +ANISOU 270 CG2 THR A 49 2948 2580 2622 -113 -424 841 C +ATOM 271 N MET A 50 -20.827 22.893 -13.358 1.00 14.11 N +ANISOU 271 N MET A 50 2028 1920 1413 148 -364 342 N +ATOM 272 CA MET A 50 -21.381 21.712 -12.683 1.00 13.67 C +ANISOU 272 CA MET A 50 1897 1723 1571 9 -221 155 C +ATOM 273 C MET A 50 -21.291 20.468 -13.595 1.00 13.47 C +ANISOU 273 C MET A 50 1948 1716 1450 21 -341 193 C +ATOM 274 O MET A 50 -20.989 19.353 -13.127 1.00 14.75 O +ANISOU 274 O MET A 50 1818 1992 1793 323 -204 300 O +ATOM 275 CB MET A 50 -22.835 21.950 -12.203 1.00 15.30 C +ANISOU 275 CB MET A 50 1864 2217 1729 519 -489 -293 C +ATOM 276 CG MET A 50 -22.918 22.827 -10.954 1.00 18.31 C +ANISOU 276 CG MET A 50 2820 2453 1683 199 -544 -322 C +ATOM 277 SD MET A 50 -22.226 22.016 -9.473 1.00 19.54 S +ANISOU 277 SD MET A 50 2305 3052 2067 -629 -613 277 S +ATOM 278 CE MET A 50 -23.601 20.990 -8.957 1.00 17.17 C +ANISOU 278 CE MET A 50 1958 2319 2245 -435 -652 127 C +ATOM 279 N LYS A 51 -21.540 20.653 -14.902 1.00 14.69 N +ANISOU 279 N LYS A 51 2101 2075 1404 98 -272 -40 N +ATOM 280 CA ALYS A 51 -21.438 19.548 -15.839 0.50 15.78 C +ANISOU 280 CA ALYS A 51 2495 2051 1447 303 -191 -24 C +ATOM 281 CA BLYS A 51 -21.430 19.558 -15.856 0.50 16.14 C +ANISOU 281 CA BLYS A 51 2525 2066 1538 332 -203 -69 C +ATOM 282 C LYS A 51 -20.030 18.919 -15.810 1.00 16.15 C +ANISOU 282 C LYS A 51 2310 1996 1830 72 -569 36 C +ATOM 283 O LYS A 51 -19.888 17.686 -15.854 1.00 15.66 O +ANISOU 283 O LYS A 51 2458 1912 1578 119 0 276 O +ATOM 284 CB ALYS A 51 -21.839 19.987 -17.256 0.50 17.96 C +ANISOU 284 CB ALYS A 51 3086 2147 1590 413 -463 11 C +ATOM 285 CB BLYS A 51 -21.786 20.025 -17.279 0.50 19.05 C +ANISOU 285 CB BLYS A 51 3297 2220 1719 407 -590 -23 C +ATOM 286 CG ALYS A 51 -22.098 18.826 -18.209 0.50 20.04 C +ANISOU 286 CG ALYS A 51 3239 2627 1746 179 -534 -207 C +ATOM 287 CG BLYS A 51 -21.732 18.915 -18.324 0.50 22.99 C +ANISOU 287 CG BLYS A 51 3790 2664 2278 463 -561 -473 C +ATOM 288 CD ALYS A 51 -22.588 19.321 -19.564 0.50 25.57 C +ANISOU 288 CD ALYS A 51 3420 4305 1989 119 -1138 -130 C +ATOM 289 CD BLYS A 51 -22.379 19.328 -19.639 0.50 30.62 C +ANISOU 289 CD BLYS A 51 4244 4696 2692 -28 -1334 -320 C +ATOM 290 CE ALYS A 51 -22.693 18.168 -20.541 0.50 31.73 C +ANISOU 290 CE ALYS A 51 4733 4145 3178 265 -1168 -447 C +ATOM 291 CE BLYS A 51 -22.190 18.235 -20.677 0.50 39.41 C +ANISOU 291 CE BLYS A 51 5773 5032 4167 20 -1349 -1117 C +ATOM 292 NZ ALYS A 51 -23.177 18.626 -21.871 0.50 31.08 N +ANISOU 292 NZ ALYS A 51 4608 3958 3241 726 -1177 -399 N +ATOM 293 NZ BLYS A 51 -22.549 16.895 -20.131 0.50 40.66 N +ANISOU 293 NZ BLYS A 51 5817 4672 4959 160 -569 -1281 N +ATOM 294 N GLU A 52 -18.987 19.758 -15.755 1.00 14.80 N +ANISOU 294 N GLU A 52 1974 2066 1583 182 -212 71 N +ATOM 295 CA GLU A 52 -17.600 19.258 -15.634 1.00 16.60 C +ANISOU 295 CA GLU A 52 2109 2284 1915 119 -18 383 C +ATOM 296 C GLU A 52 -17.376 18.531 -14.312 1.00 14.00 C +ANISOU 296 C GLU A 52 1902 1900 1517 120 -160 -48 C +ATOM 297 O GLU A 52 -16.707 17.493 -14.271 1.00 14.90 O +ANISOU 297 O GLU A 52 2244 1903 1511 218 -126 429 O +ATOM 298 CB GLU A 52 -16.591 20.404 -15.804 1.00 16.15 C +ANISOU 298 CB GLU A 52 2405 2137 1591 -23 287 413 C +ATOM 299 CG GLU A 52 -16.484 20.903 -17.229 1.00 20.95 C +ANISOU 299 CG GLU A 52 3135 2901 1924 156 582 919 C +ATOM 300 CD GLU A 52 -15.692 22.195 -17.368 1.00 26.18 C +ANISOU 300 CD GLU A 52 4001 3361 2585 -498 970 347 C +ATOM 301 OE1 GLU A 52 -15.714 23.017 -16.441 1.00 23.79 O +ANISOU 301 OE1 GLU A 52 3655 3024 2360 -556 449 599 O +ATOM 302 OE2 GLU A 52 -15.068 22.409 -18.436 0.50 27.20 O +ANISOU 302 OE2 GLU A 52 4138 3198 2995 -1739 1307 450 O +ATOM 303 N VAL A 53 -17.917 19.079 -13.210 1.00 13.20 N +ANISOU 303 N VAL A 53 1951 1894 1169 29 -207 182 N +ATOM 304 CA VAL A 53 -17.792 18.386 -11.901 1.00 12.43 C +ANISOU 304 CA VAL A 53 1826 1557 1339 152 -193 259 C +ATOM 305 C VAL A 53 -18.381 16.981 -11.992 1.00 12.23 C +ANISOU 305 C VAL A 53 1700 1714 1233 159 -353 141 C +ATOM 306 O VAL A 53 -17.753 16.006 -11.556 1.00 13.36 O +ANISOU 306 O VAL A 53 1866 1557 1650 248 -288 160 O +ATOM 307 CB VAL A 53 -18.443 19.191 -10.752 1.00 12.85 C +ANISOU 307 CB VAL A 53 2051 1348 1481 45 -96 314 C +ATOM 308 CG1 VAL A 53 -18.390 18.383 -9.469 1.00 13.15 C +ANISOU 308 CG1 VAL A 53 1605 1885 1505 182 -370 521 C +ATOM 309 CG2 VAL A 53 -17.706 20.522 -10.552 1.00 13.54 C +ANISOU 309 CG2 VAL A 53 1692 1489 1963 33 -124 -81 C +ATOM 310 N LEU A 54 -19.561 16.862 -12.612 1.00 12.17 N +ANISOU 310 N LEU A 54 1592 1691 1341 -144 -318 79 N +ATOM 311 CA LEU A 54 -20.178 15.536 -12.774 1.00 14.04 C +ANISOU 311 CA LEU A 54 1779 1835 1721 -60 -571 -263 C +ATOM 312 C LEU A 54 -19.363 14.610 -13.652 1.00 15.18 C +ANISOU 312 C LEU A 54 1971 1911 1885 91 -147 132 C +ATOM 313 O LEU A 54 -19.278 13.405 -13.373 1.00 16.02 O +ANISOU 313 O LEU A 54 2276 1731 2078 368 -572 -14 O +ATOM 314 CB LEU A 54 -21.606 15.693 -13.328 1.00 13.90 C +ANISOU 314 CB LEU A 54 1752 1856 1670 118 -519 221 C +ATOM 315 CG LEU A 54 -22.710 15.828 -12.277 1.00 14.83 C +ANISOU 315 CG LEU A 54 2440 1458 1733 -285 -30 -34 C +ATOM 316 CD1 LEU A 54 -22.787 14.614 -11.326 1.00 14.86 C +ANISOU 316 CD1 LEU A 54 2395 1606 1643 -167 -473 49 C +ATOM 317 CD2 LEU A 54 -22.487 17.114 -11.509 1.00 15.87 C +ANISOU 317 CD2 LEU A 54 2592 1486 1950 -163 16 -106 C +ATOM 318 N PHE A 55 -18.751 15.157 -14.712 1.00 15.46 N +ANISOU 318 N PHE A 55 2096 1931 1847 113 -132 145 N +ATOM 319 CA PHE A 55 -17.897 14.332 -15.573 1.00 15.52 C +ANISOU 319 CA PHE A 55 1828 2242 1826 111 -23 283 C +ATOM 320 C PHE A 55 -16.752 13.736 -14.759 1.00 16.22 C +ANISOU 320 C PHE A 55 2347 2005 1811 246 -344 -47 C +ATOM 321 O PHE A 55 -16.466 12.540 -14.820 1.00 18.75 O +ANISOU 321 O PHE A 55 2960 2153 2010 691 -353 234 O +ATOM 322 CB PHE A 55 -17.333 15.181 -16.707 1.00 17.06 C +ANISOU 322 CB PHE A 55 2378 2438 1666 263 181 196 C +ATOM 323 CG PHE A 55 -16.285 14.473 -17.502 1.00 21.18 C +ANISOU 323 CG PHE A 55 2933 3096 2017 847 222 -44 C +ATOM 324 CD1 PHE A 55 -16.650 13.545 -18.469 1.00 26.81 C +ANISOU 324 CD1 PHE A 55 4191 3190 2803 1062 -4 -261 C +ATOM 325 CD2 PHE A 55 -14.929 14.681 -17.228 1.00 22.41 C +ANISOU 325 CD2 PHE A 55 2958 3211 2345 594 259 457 C +ATOM 326 CE1 PHE A 55 -15.678 12.859 -19.186 1.00 29.79 C +ANISOU 326 CE1 PHE A 55 4320 3688 3310 1197 416 -295 C +ATOM 327 CE2 PHE A 55 -13.957 13.997 -17.933 1.00 27.78 C +ANISOU 327 CE2 PHE A 55 3775 3297 3483 857 72 -428 C +ATOM 328 CZ PHE A 55 -14.335 13.094 -18.922 1.00 32.42 C +ANISOU 328 CZ PHE A 55 4527 4330 3459 984 756 -1250 C +ATOM 329 N TYR A 56 -16.064 14.580 -14.009 1.00 14.56 N +ANISOU 329 N TYR A 56 2028 2087 1415 223 -338 10 N +ATOM 330 CA TYR A 56 -14.920 14.060 -13.228 1.00 16.29 C +ANISOU 330 CA TYR A 56 2032 2074 2083 1 -461 183 C +ATOM 331 C TYR A 56 -15.326 13.149 -12.075 1.00 16.29 C +ANISOU 331 C TYR A 56 2257 1846 2084 392 -163 51 C +ATOM 332 O TYR A 56 -14.615 12.185 -11.784 1.00 15.02 O +ANISOU 332 O TYR A 56 1969 1535 2201 219 141 185 O +ATOM 333 CB TYR A 56 -14.063 15.216 -12.730 1.00 16.34 C +ANISOU 333 CB TYR A 56 2024 2124 2061 -256 -124 251 C +ATOM 334 CG TYR A 56 -13.246 15.850 -13.847 1.00 19.35 C +ANISOU 334 CG TYR A 56 2283 2439 2630 -105 409 448 C +ATOM 335 CD1 TYR A 56 -12.200 15.154 -14.457 1.00 23.33 C +ANISOU 335 CD1 TYR A 56 2833 2864 3165 348 433 113 C +ATOM 336 CD2 TYR A 56 -13.506 17.160 -14.268 1.00 18.97 C +ANISOU 336 CD2 TYR A 56 2538 2251 2416 -404 71 391 C +ATOM 337 CE1 TYR A 56 -11.438 15.739 -15.466 1.00 26.23 C +ANISOU 337 CE1 TYR A 56 2883 3579 3502 179 553 109 C +ATOM 338 CE2 TYR A 56 -12.759 17.741 -15.284 1.00 24.67 C +ANISOU 338 CE2 TYR A 56 3133 3561 2680 -149 785 302 C +ATOM 339 CZ TYR A 56 -11.732 17.026 -15.874 1.00 28.60 C +ANISOU 339 CZ TYR A 56 3486 3827 3551 -169 1143 576 C +ATOM 340 OH TYR A 56 -11.005 17.631 -16.859 1.00 33.24 O +ANISOU 340 OH TYR A 56 3913 4345 4370 -276 1504 1118 O +ATOM 341 N LEU A 57 -16.448 13.446 -11.411 1.00 13.76 N +ANISOU 341 N LEU A 57 1938 1701 1590 71 -292 78 N +ATOM 342 CA ALEU A 57 -16.943 12.529 -10.365 0.80 13.84 C +ANISOU 342 CA ALEU A 57 2047 1508 1702 288 43 -12 C +ATOM 343 CA BLEU A 57 -16.987 12.565 -10.385 0.20 13.71 C +ANISOU 343 CA BLEU A 57 1990 1575 1642 256 -93 21 C +ATOM 344 C LEU A 57 -17.272 11.197 -11.002 1.00 13.42 C +ANISOU 344 C LEU A 57 1963 1569 1567 472 -176 -21 C +ATOM 345 O LEU A 57 -16.991 10.183 -10.428 1.00 13.47 O +ANISOU 345 O LEU A 57 1899 1587 1629 403 -104 49 O +ATOM 346 CB ALEU A 57 -18.195 13.045 -9.658 0.80 16.48 C +ANISOU 346 CB ALEU A 57 1849 2163 2247 217 27 -291 C +ATOM 347 CB BLEU A 57 -18.270 13.164 -9.812 0.20 14.24 C +ANISOU 347 CB BLEU A 57 1966 1703 1741 196 -57 -48 C +ATOM 348 CG ALEU A 57 -18.016 14.137 -8.621 0.80 14.32 C +ANISOU 348 CG ALEU A 57 1431 2086 1920 222 -246 -67 C +ATOM 349 CG BLEU A 57 -18.811 12.546 -8.530 0.20 13.28 C +ANISOU 349 CG BLEU A 57 2009 1306 1731 331 -128 17 C +ATOM 350 CD1ALEU A 57 -19.365 14.744 -8.217 0.80 16.63 C +ANISOU 350 CD1ALEU A 57 2066 1964 2289 578 250 -93 C +ATOM 351 CD1BLEU A 57 -17.685 12.314 -7.544 0.20 14.50 C +ANISOU 351 CD1BLEU A 57 2148 1524 1834 214 -274 26 C +ATOM 352 CD2ALEU A 57 -17.309 13.555 -7.407 0.80 19.69 C +ANISOU 352 CD2ALEU A 57 3185 2661 1635 391 -667 -112 C +ATOM 353 CD2BLEU A 57 -19.873 13.451 -7.923 0.20 12.64 C +ANISOU 353 CD2BLEU A 57 1739 1213 1850 278 -404 -92 C +ATOM 354 N GLY A 58 -17.881 11.195 -12.188 1.00 14.25 N +ANISOU 354 N GLY A 58 2266 1724 1421 390 -272 -38 N +ATOM 355 CA GLY A 58 -18.175 9.933 -12.879 1.00 15.10 C +ANISOU 355 CA GLY A 58 2042 2026 1668 226 -169 -245 C +ATOM 356 C GLY A 58 -16.906 9.176 -13.180 1.00 15.09 C +ANISOU 356 C GLY A 58 2244 1684 1805 327 -76 -64 C +ATOM 357 O GLY A 58 -16.863 7.962 -12.974 1.00 15.91 O +ANISOU 357 O GLY A 58 2495 1585 1964 415 -407 -203 O +ATOM 358 N GLN A 59 -15.856 9.885 -13.623 1.00 15.83 N +ANISOU 358 N GLN A 59 2242 1907 1865 391 -62 -56 N +ATOM 359 CA AGLN A 59 -14.567 9.246 -13.901 0.50 16.61 C +ANISOU 359 CA AGLN A 59 2078 2114 2118 276 22 175 C +ATOM 360 CA BGLN A 59 -14.541 9.277 -13.898 0.50 16.52 C +ANISOU 360 CA BGLN A 59 2074 2063 2140 265 -8 154 C +ATOM 361 C GLN A 59 -13.975 8.634 -12.629 1.00 16.89 C +ANISOU 361 C GLN A 59 2344 1956 2115 591 -58 -76 C +ATOM 362 O GLN A 59 -13.421 7.525 -12.653 1.00 17.86 O +ANISOU 362 O GLN A 59 2601 1885 2298 612 396 142 O +ATOM 363 CB AGLN A 59 -13.613 10.255 -14.540 0.50 22.46 C +ANISOU 363 CB AGLN A 59 2962 2877 2694 -112 623 422 C +ATOM 364 CB BGLN A 59 -13.555 10.336 -14.412 0.50 21.05 C +ANISOU 364 CB BGLN A 59 2646 2601 2749 -85 479 215 C +ATOM 365 CG AGLN A 59 -13.878 10.422 -16.025 0.50 27.61 C +ANISOU 365 CG AGLN A 59 3793 4098 2599 -358 861 -7 C +ATOM 366 CG BGLN A 59 -13.759 10.778 -15.854 0.50 25.33 C +ANISOU 366 CG BGLN A 59 3674 3139 2809 -125 146 -7 C +ATOM 367 CD AGLN A 59 -13.336 9.251 -16.816 0.50 33.08 C +ANISOU 367 CD AGLN A 59 4991 4549 3028 42 594 -633 C +ATOM 368 CD BGLN A 59 -12.461 11.274 -16.472 0.50 30.06 C +ANISOU 368 CD BGLN A 59 4121 3463 3838 -527 706 -262 C +ATOM 369 OE1AGLN A 59 -12.158 9.222 -17.163 0.50 39.26 O +ANISOU 369 OE1AGLN A 59 5124 5515 4276 235 781 -1721 O +ATOM 370 OE1BGLN A 59 -11.679 11.971 -15.820 0.50 35.52 O +ANISOU 370 OE1BGLN A 59 5006 4224 4265 -500 -331 -352 O +ATOM 371 NE2AGLN A 59 -14.189 8.274 -17.096 0.50 35.18 N +ANISOU 371 NE2AGLN A 59 4693 5743 2930 -347 886 -641 N +ATOM 372 NE2BGLN A 59 -12.219 10.908 -17.728 0.50 31.89 N +ANISOU 372 NE2BGLN A 59 4543 3794 3777 400 -1077 -1160 N +ATOM 373 N TYR A 60 -14.111 9.349 -11.517 1.00 16.08 N +ANISOU 373 N TYR A 60 2232 2124 1753 306 63 51 N +ATOM 374 CA TYR A 60 -13.626 8.859 -10.232 1.00 14.67 C +ANISOU 374 CA TYR A 60 1945 1832 1794 259 -207 -170 C +ATOM 375 C TYR A 60 -14.342 7.568 -9.804 1.00 16.46 C +ANISOU 375 C TYR A 60 1931 1926 2396 471 -272 136 C +ATOM 376 O TYR A 60 -13.697 6.572 -9.389 1.00 16.83 O +ANISOU 376 O TYR A 60 2274 2089 2031 587 -375 205 O +ATOM 377 CB TYR A 60 -13.809 9.966 -9.211 1.00 14.37 C +ANISOU 377 CB TYR A 60 2128 1362 1969 397 -482 -92 C +ATOM 378 CG TYR A 60 -13.387 9.609 -7.799 1.00 15.32 C +ANISOU 378 CG TYR A 60 1927 1769 2122 549 -480 183 C +ATOM 379 CD1 TYR A 60 -12.071 9.792 -7.383 1.00 15.79 C +ANISOU 379 CD1 TYR A 60 1841 1867 2290 430 -428 156 C +ATOM 380 CD2 TYR A 60 -14.314 9.102 -6.870 1.00 16.61 C +ANISOU 380 CD2 TYR A 60 2314 1742 2255 594 -310 266 C +ATOM 381 CE1 TYR A 60 -11.672 9.489 -6.075 1.00 16.07 C +ANISOU 381 CE1 TYR A 60 1954 1810 2339 154 -661 181 C +ATOM 382 CE2 TYR A 60 -13.924 8.789 -5.567 1.00 17.80 C +ANISOU 382 CE2 TYR A 60 2249 2078 2433 401 -767 172 C +ATOM 383 CZ TYR A 60 -12.595 8.982 -5.180 1.00 17.14 C +ANISOU 383 CZ TYR A 60 2164 1858 2491 151 -575 -16 C +ATOM 384 OH TYR A 60 -12.199 8.670 -3.896 1.00 19.94 O +ANISOU 384 OH TYR A 60 2251 2282 3040 28 -1042 260 O +ATOM 385 N ILE A 61 -15.674 7.569 -9.915 1.00 14.03 N +ANISOU 385 N ILE A 61 1777 1593 1957 175 -98 29 N +ATOM 386 CA ILE A 61 -16.456 6.356 -9.618 1.00 12.84 C +ANISOU 386 CA ILE A 61 1641 1440 1796 285 -317 9 C +ATOM 387 C ILE A 61 -16.059 5.165 -10.485 1.00 15.20 C +ANISOU 387 C ILE A 61 2313 1563 1899 405 -125 -11 C +ATOM 388 O ILE A 61 -15.937 4.027 -10.009 1.00 18.05 O +ANISOU 388 O ILE A 61 2814 1904 2137 800 -235 256 O +ATOM 389 CB ILE A 61 -17.969 6.691 -9.788 1.00 13.26 C +ANISOU 389 CB ILE A 61 1530 1412 2096 316 -242 -12 C +ATOM 390 CG1 ILE A 61 -18.430 7.590 -8.639 1.00 15.01 C +ANISOU 390 CG1 ILE A 61 2017 1437 2247 617 -196 29 C +ATOM 391 CG2 ILE A 61 -18.851 5.432 -9.960 1.00 14.62 C +ANISOU 391 CG2 ILE A 61 2056 1471 2028 90 -241 185 C +ATOM 392 CD1 ILE A 61 -19.742 8.318 -8.929 1.00 14.67 C +ANISOU 392 CD1 ILE A 61 1773 1715 2087 648 204 201 C +ATOM 393 N MET A 62 -15.818 5.407 -11.764 1.00 16.49 N +ANISOU 393 N MET A 62 2466 1834 1964 274 -33 -308 N +ATOM 394 CA MET A 62 -15.409 4.306 -12.649 1.00 16.93 C +ANISOU 394 CA MET A 62 2717 1896 1817 785 203 -91 C +ATOM 395 C MET A 62 -14.000 3.792 -12.353 1.00 19.20 C +ANISOU 395 C MET A 62 2879 1753 2664 928 101 -189 C +ATOM 396 O MET A 62 -13.768 2.577 -12.364 1.00 24.13 O +ANISOU 396 O MET A 62 3851 1797 3518 1257 -183 -228 O +ATOM 397 CB MET A 62 -15.533 4.726 -14.136 1.00 18.01 C +ANISOU 397 CB MET A 62 2898 2115 1828 955 -102 -109 C +ATOM 398 CG MET A 62 -16.932 5.133 -14.589 1.00 19.50 C +ANISOU 398 CG MET A 62 2893 1847 2666 363 -573 161 C +ATOM 399 SD MET A 62 -18.184 3.903 -14.223 1.00 22.09 S +ANISOU 399 SD MET A 62 3149 2313 2930 189 4 -46 S +ATOM 400 CE MET A 62 -17.679 2.577 -15.326 1.00 27.05 C +ANISOU 400 CE MET A 62 4079 2362 3835 -901 -616 -1322 C +ATOM 401 N THR A 63 -13.067 4.717 -12.093 1.00 20.09 N +ANISOU 401 N THR A 63 2461 2210 2961 791 117 29 N +ATOM 402 CA THR A 63 -11.663 4.405 -11.797 1.00 23.17 C +ANISOU 402 CA THR A 63 2864 2302 3635 1066 -275 453 C +ATOM 403 C THR A 63 -11.544 3.603 -10.508 1.00 23.62 C +ANISOU 403 C THR A 63 3217 2441 3313 1198 -106 278 C +ATOM 404 O THR A 63 -10.791 2.621 -10.455 1.00 27.28 O +ANISOU 404 O THR A 63 3342 2841 4181 1525 43 550 O +ATOM 405 CB THR A 63 -10.803 5.704 -11.716 1.00 25.07 C +ANISOU 405 CB THR A 63 2627 3021 3877 483 -254 360 C +ATOM 406 OG1 THR A 63 -10.809 6.342 -12.998 1.00 29.29 O +ANISOU 406 OG1 THR A 63 3226 3413 4489 -41 174 668 O +ATOM 407 CG2 THR A 63 -9.360 5.423 -11.332 1.00 32.50 C +ANISOU 407 CG2 THR A 63 2955 3674 5718 995 -330 758 C +ATOM 408 N LYS A 64 -12.298 3.998 -9.484 1.00 22.91 N +ANISOU 408 N LYS A 64 2718 2620 3365 632 33 397 N +ATOM 409 CA LYS A 64 -12.250 3.308 -8.193 1.00 22.69 C +ANISOU 409 CA LYS A 64 2380 2604 3634 919 -535 474 C +ATOM 410 C LYS A 64 -13.254 2.155 -8.085 1.00 24.11 C +ANISOU 410 C LYS A 64 3415 2239 3507 629 -428 161 C +ATOM 411 O LYS A 64 -13.351 1.489 -7.033 1.00 23.48 O +ANISOU 411 O LYS A 64 3096 2146 3677 853 -300 427 O +ATOM 412 CB LYS A 64 -12.454 4.288 -7.044 1.00 24.23 C +ANISOU 412 CB LYS A 64 2669 2629 3905 482 -786 213 C +ATOM 413 CG LYS A 64 -11.319 5.278 -6.906 1.00 27.70 C +ANISOU 413 CG LYS A 64 3098 3089 4336 -65 -391 22 C +ATOM 414 CD LYS A 64 -11.369 5.913 -5.546 1.00 30.06 C +ANISOU 414 CD LYS A 64 3760 3493 4168 452 -1117 -35 C +ATOM 415 CE LYS A 64 -10.432 5.268 -4.549 1.00 30.71 C +ANISOU 415 CE LYS A 64 2683 3977 5008 1332 -890 -508 C +ATOM 416 NZ LYS A 64 -10.377 6.203 -3.384 1.00 30.44 N +ANISOU 416 NZ LYS A 64 2493 3995 5078 520 -929 -638 N +ATOM 417 N ARG A 65 -13.981 1.919 -9.168 1.00 20.28 N +ANISOU 417 N ARG A 65 2992 1980 2733 848 94 -3 N +ATOM 418 CA ARG A 65 -14.936 0.795 -9.240 1.00 23.07 C +ANISOU 418 CA ARG A 65 3978 1821 2963 826 45 -149 C +ATOM 419 C ARG A 65 -15.971 0.846 -8.101 1.00 21.86 C +ANISOU 419 C ARG A 65 3539 1844 2921 1158 -206 184 C +ATOM 420 O ARG A 65 -16.259 -0.158 -7.454 1.00 22.60 O +ANISOU 420 O ARG A 65 3718 1970 2897 767 -105 90 O +ATOM 421 CB ARG A 65 -14.188 -0.565 -9.310 1.00 26.46 C +ANISOU 421 CB ARG A 65 3971 2171 3910 1174 384 149 C +ATOM 422 CG ARG A 65 -13.310 -0.709 -10.552 1.00 31.62 C +ANISOU 422 CG ARG A 65 4639 2847 4526 1238 772 -690 C +ATOM 423 CD ARG A 65 -13.025 -2.172 -10.861 0.50 34.39 C +ANISOU 423 CD ARG A 65 5260 3522 4284 2382 883 -1168 C +ATOM 424 NE ARG A 65 -11.811 -2.646 -10.210 0.50 48.05 N +ANISOU 424 NE ARG A 65 5670 5163 7422 1175 -1062 -782 N +ATOM 425 CZ ARG A 65 -11.370 -3.899 -10.287 0.50 52.27 C +ANISOU 425 CZ ARG A 65 7271 5508 7080 1789 -703 -1399 C +ATOM 426 NH1 ARG A 65 -12.053 -4.800 -10.981 0.50 53.80 N +ANISOU 426 NH1 ARG A 65 6732 4659 9047 723 -622 -362 N +ATOM 427 NH2 ARG A 65 -10.253 -4.252 -9.669 0.50 57.07 N +ANISOU 427 NH2 ARG A 65 7837 5859 7987 420 -2027 -733 N +ATOM 428 N LEU A 66 -16.568 2.026 -7.899 1.00 19.58 N +ANISOU 428 N LEU A 66 3316 1729 2393 859 -282 -39 N +ATOM 429 CA LEU A 66 -17.564 2.217 -6.852 1.00 15.96 C +ANISOU 429 CA LEU A 66 2596 1459 2009 525 -547 -341 C +ATOM 430 C LEU A 66 -18.941 1.808 -7.371 1.00 17.95 C +ANISOU 430 C LEU A 66 2784 2281 1754 543 -954 -39 C +ATOM 431 O LEU A 66 -19.939 1.920 -6.663 1.00 21.37 O +ANISOU 431 O LEU A 66 2939 2809 2369 -176 -674 -980 O +ATOM 432 CB LEU A 66 -17.580 3.691 -6.334 1.00 16.49 C +ANISOU 432 CB LEU A 66 2614 1161 2487 32 -766 25 C +ATOM 433 CG LEU A 66 -16.209 4.221 -5.858 1.00 16.00 C +ANISOU 433 CG LEU A 66 2440 1496 2141 214 -885 88 C +ATOM 434 CD1 LEU A 66 -16.339 5.660 -5.345 1.00 18.27 C +ANISOU 434 CD1 LEU A 66 2952 1914 2074 446 -479 -351 C +ATOM 435 CD2 LEU A 66 -15.674 3.276 -4.787 1.00 17.28 C +ANISOU 435 CD2 LEU A 66 2456 1631 2475 641 -914 72 C +ATOM 436 N TYR A 67 -18.996 1.400 -8.641 1.00 20.02 N +ANISOU 436 N TYR A 67 3142 2087 2375 659 -1008 -912 N +ATOM 437 CA TYR A 67 -20.209 0.799 -9.227 1.00 20.32 C +ANISOU 437 CA TYR A 67 3519 1937 2263 -104 -671 -478 C +ATOM 438 C TYR A 67 -20.465 -0.660 -8.739 1.00 21.05 C +ANISOU 438 C TYR A 67 3371 1913 2714 516 -686 -211 C +ATOM 439 O TYR A 67 -19.565 -1.302 -8.178 1.00 26.68 O +ANISOU 439 O TYR A 67 4605 2252 3279 1189 -1428 -832 O +ATOM 440 CB TYR A 67 -20.136 0.891 -10.757 1.00 20.67 C +ANISOU 440 CB TYR A 67 3548 1916 2390 663 -798 -199 C +ATOM 441 CG TYR A 67 -18.927 0.229 -11.390 1.00 22.02 C +ANISOU 441 CG TYR A 67 3598 2236 2531 794 -1081 -177 C +ATOM 442 CD1 TYR A 67 -18.889 -1.158 -11.571 1.00 22.55 C +ANISOU 442 CD1 TYR A 67 3062 2226 3279 1180 -1155 -750 C +ATOM 443 CD2 TYR A 67 -17.853 0.977 -11.841 1.00 24.01 C +ANISOU 443 CD2 TYR A 67 3562 2523 3037 730 -450 2 C +ATOM 444 CE1 TYR A 67 -17.804 -1.777 -12.158 1.00 26.76 C +ANISOU 444 CE1 TYR A 67 3576 3301 3290 631 -822 -1900 C +ATOM 445 CE2 TYR A 67 -16.749 0.355 -12.443 1.00 31.02 C +ANISOU 445 CE2 TYR A 67 4358 2974 4454 689 148 -719 C +ATOM 446 CZ TYR A 67 -16.744 -1.021 -12.604 1.00 26.64 C +ANISOU 446 CZ TYR A 67 3962 2826 3333 1129 -376 -471 C +ATOM 447 OH TYR A 67 -15.684 -1.695 -13.181 1.00 33.31 O +ANISOU 447 OH TYR A 67 4358 4941 3355 1515 -567 -968 O +ATOM 448 N ASP A 68 -21.681 -1.176 -8.977 1.00 23.68 N +ANISOU 448 N ASP A 68 4166 1926 2902 115 -975 -441 N +ATOM 449 CA ASP A 68 -22.049 -2.567 -8.656 1.00 26.24 C +ANISOU 449 CA ASP A 68 4985 2171 2813 -127 -609 -260 C +ATOM 450 C ASP A 68 -22.565 -3.220 -9.909 1.00 21.14 C +ANISOU 450 C ASP A 68 4024 1487 2519 487 -390 -315 C +ATOM 451 O ASP A 68 -23.507 -2.711 -10.473 1.00 23.87 O +ANISOU 451 O ASP A 68 3685 2105 3279 701 -648 -803 O +ATOM 452 CB ASP A 68 -23.194 -2.643 -7.624 1.00 27.35 C +ANISOU 452 CB ASP A 68 5136 2699 2556 612 -643 -34 C +ATOM 453 CG ASP A 68 -23.656 -4.095 -7.381 1.00 28.91 C +ANISOU 453 CG ASP A 68 4378 3680 2924 167 -172 1498 C +ATOM 454 OD1 ASP A 68 -22.810 -4.920 -6.969 0.50 29.10 O +ANISOU 454 OD1 ASP A 68 6490 2135 2429 1394 1085 1135 O +ATOM 455 OD2 ASP A 68 -24.843 -4.431 -7.596 0.50 31.73 O +ANISOU 455 OD2 ASP A 68 5345 2281 4428 -910 -1486 554 O +ATOM 456 N ALA A 69 -21.973 -4.334 -10.356 1.00 20.92 N +ANISOU 456 N ALA A 69 4309 1504 2136 325 -208 -234 N +ATOM 457 CA ALA A 69 -22.403 -4.944 -11.636 1.00 22.12 C +ANISOU 457 CA ALA A 69 4228 1638 2537 587 -232 -843 C +ATOM 458 C ALA A 69 -23.878 -5.384 -11.702 1.00 24.70 C +ANISOU 458 C ALA A 69 4382 2144 2858 600 -430 -374 C +ATOM 459 O ALA A 69 -24.543 -5.262 -12.775 1.00 29.92 O +ANISOU 459 O ALA A 69 5421 2941 3004 -389 -770 -462 O +ATOM 460 CB ALA A 69 -21.497 -6.123 -11.976 1.00 27.17 C +ANISOU 460 CB ALA A 69 4281 2370 3671 913 323 -1072 C +ATOM 461 N ALA A 70 -24.398 -5.900 -10.584 1.00 26.18 N +ANISOU 461 N ALA A 70 4615 1549 3783 77 737 -867 N +ATOM 462 CA ALA A 70 -25.763 -6.488 -10.600 1.00 23.96 C +ANISOU 462 CA ALA A 70 4699 2160 2245 -41 -730 -170 C +ATOM 463 C ALA A 70 -26.882 -5.450 -10.470 1.00 24.64 C +ANISOU 463 C ALA A 70 4618 2860 1883 226 -639 -169 C +ATOM 464 O ALA A 70 -27.924 -5.597 -11.104 1.00 31.81 O +ANISOU 464 O ALA A 70 5009 3496 3582 528 -977 -1001 O +ATOM 465 CB ALA A 70 -25.901 -7.587 -9.548 1.00 28.26 C +ANISOU 465 CB ALA A 70 4670 2837 3230 -57 241 504 C +ATOM 466 N GLN A 71 -26.648 -4.397 -9.679 1.00 27.52 N +ANISOU 466 N GLN A 71 5126 1746 3584 -307 1023 -144 N +ATOM 467 CA GLN A 71 -27.596 -3.313 -9.530 1.00 23.82 C +ANISOU 467 CA GLN A 71 3924 2035 3090 -391 -363 -180 C +ATOM 468 C GLN A 71 -26.814 -2.001 -9.779 1.00 21.82 C +ANISOU 468 C GLN A 71 4194 1619 2478 51 -312 293 C +ATOM 469 O GLN A 71 -26.339 -1.283 -8.854 1.00 21.85 O +ANISOU 469 O GLN A 71 3917 2424 1960 143 -185 272 O +ATOM 470 CB GLN A 71 -28.248 -3.349 -8.142 1.00 34.25 C +ANISOU 470 CB GLN A 71 5823 3563 3626 560 606 -461 C +ATOM 471 CG GLN A 71 -29.470 -2.440 -7.994 1.00 27.96 C +ANISOU 471 CG GLN A 71 4805 2594 3224 -446 593 -199 C +ATOM 472 CD GLN A 71 -30.317 -2.816 -6.787 1.00 36.46 C +ANISOU 472 CD GLN A 71 4884 5458 3509 -1300 -11 1338 C +ATOM 473 OE1 GLN A 71 -31.549 -2.749 -6.838 1.00 39.21 O +ANISOU 473 OE1 GLN A 71 4770 5783 4345 -292 -139 -29 O +ATOM 474 NE2 GLN A 71 -29.660 -3.206 -5.694 1.00 27.43 N +ANISOU 474 NE2 GLN A 71 3592 2979 3850 -892 -538 -149 N +ATOM 475 N GLN A 72 -26.679 -1.712 -11.064 1.00 18.12 N +ANISOU 475 N GLN A 72 3284 1375 2224 -29 -210 -122 N +ATOM 476 CA GLN A 72 -25.805 -0.675 -11.530 1.00 20.42 C +ANISOU 476 CA GLN A 72 4170 1572 2015 -461 -165 -435 C +ATOM 477 C GLN A 72 -26.204 0.718 -11.130 1.00 18.32 C +ANISOU 477 C GLN A 72 3137 1653 2168 -236 -474 -528 C +ATOM 478 O GLN A 72 -25.353 1.620 -11.166 1.00 18.89 O +ANISOU 478 O GLN A 72 3258 1789 2129 -378 -712 -220 O +ATOM 479 CB GLN A 72 -25.806 -0.725 -13.052 1.00 20.88 C +ANISOU 479 CB GLN A 72 3650 2365 1915 -214 -290 -757 C +ATOM 480 CG GLN A 72 -24.930 -1.823 -13.491 1.00 27.09 C +ANISOU 480 CG GLN A 72 4169 4069 2055 542 -238 -1078 C +ATOM 481 CD GLN A 72 -24.862 -1.876 -14.986 1.00 20.01 C +ANISOU 481 CD GLN A 72 2677 3060 1867 408 -744 -451 C +ATOM 482 OE1 GLN A 72 -24.706 -0.850 -15.682 1.00 18.80 O +ANISOU 482 OE1 GLN A 72 2202 2994 1945 683 -620 -561 O +ATOM 483 NE2 GLN A 72 -24.962 -3.062 -15.480 1.00 20.84 N +ANISOU 483 NE2 GLN A 72 2295 2931 2692 -263 -177 -371 N +ATOM 484 N HIS A 73 -27.467 0.898 -10.733 1.00 17.02 N +ANISOU 484 N HIS A 73 3161 1443 1862 -158 -859 -393 N +ATOM 485 CA HIS A 73 -27.967 2.238 -10.419 1.00 16.27 C +ANISOU 485 CA HIS A 73 2652 1468 2059 -46 -935 -206 C +ATOM 486 C HIS A 73 -27.558 2.762 -9.071 1.00 14.57 C +ANISOU 486 C HIS A 73 2313 1411 1811 -132 -746 82 C +ATOM 487 O HIS A 73 -27.869 3.912 -8.748 1.00 15.51 O +ANISOU 487 O HIS A 73 2853 1455 1583 -137 -796 3 O +ATOM 488 CB HIS A 73 -29.494 2.352 -10.637 1.00 20.23 C +ANISOU 488 CB HIS A 73 2566 2588 2532 -326 -986 -1 C +ATOM 489 CG HIS A 73 -30.325 1.984 -9.435 1.00 18.02 C +ANISOU 489 CG HIS A 73 2817 1764 2263 -623 -967 -586 C +ATOM 490 ND1 HIS A 73 -30.735 0.701 -9.187 1.00 22.87 N +ANISOU 490 ND1 HIS A 73 3261 2164 3264 -968 -239 -350 N +ATOM 491 CD2 HIS A 73 -30.843 2.773 -8.405 1.00 16.23 C +ANISOU 491 CD2 HIS A 73 2448 1822 1894 -349 -640 -13 C +ATOM 492 CE1 HIS A 73 -31.467 0.686 -8.050 1.00 25.89 C +ANISOU 492 CE1 HIS A 73 3474 2759 3602 -874 -102 -262 C +ATOM 493 NE2 HIS A 73 -31.521 1.954 -7.567 1.00 23.21 N +ANISOU 493 NE2 HIS A 73 3345 2201 3271 -821 -304 300 N +ATOM 494 N ILE A 74 -26.862 1.941 -8.274 1.00 13.68 N +ANISOU 494 N ILE A 74 2425 1315 1456 -85 -778 -49 N +ATOM 495 CA ILE A 74 -26.412 2.372 -6.920 1.00 13.35 C +ANISOU 495 CA ILE A 74 2553 941 1578 19 -726 -234 C +ATOM 496 C ILE A 74 -24.900 2.455 -6.887 1.00 14.64 C +ANISOU 496 C ILE A 74 2657 1338 1565 78 -613 -47 C +ATOM 497 O ILE A 74 -24.221 1.482 -7.265 1.00 16.13 O +ANISOU 497 O ILE A 74 2519 1609 1998 207 -519 -303 O +ATOM 498 CB ILE A 74 -26.932 1.435 -5.803 1.00 14.77 C +ANISOU 498 CB ILE A 74 2485 1520 1607 -93 -774 -118 C +ATOM 499 CG1 ILE A 74 -28.469 1.325 -5.878 1.00 17.92 C +ANISOU 499 CG1 ILE A 74 2570 1774 2464 -126 -164 131 C +ATOM 500 CG2 ILE A 74 -26.420 1.885 -4.443 1.00 14.95 C +ANISOU 500 CG2 ILE A 74 2842 1342 1494 132 -694 -74 C +ATOM 501 CD1 ILE A 74 -29.062 0.269 -4.976 1.00 24.06 C +ANISOU 501 CD1 ILE A 74 3516 2583 3040 -1192 -292 381 C +ATOM 502 N VAL A 75 -24.381 3.606 -6.462 1.00 14.11 N +ANISOU 502 N VAL A 75 2287 1496 1577 -138 -576 233 N +ATOM 503 CA VAL A 75 -22.950 3.793 -6.231 1.00 13.66 C +ANISOU 503 CA VAL A 75 2165 1437 1586 -30 -588 47 C +ATOM 504 C VAL A 75 -22.680 3.519 -4.756 1.00 13.20 C +ANISOU 504 C VAL A 75 2053 1251 1709 379 -561 -61 C +ATOM 505 O VAL A 75 -23.403 4.006 -3.892 1.00 15.17 O +ANISOU 505 O VAL A 75 2698 1562 1503 325 -443 -101 O +ATOM 506 CB VAL A 75 -22.533 5.239 -6.620 1.00 15.13 C +ANISOU 506 CB VAL A 75 2349 1846 1554 -417 -529 246 C +ATOM 507 CG1 VAL A 75 -21.123 5.558 -6.112 1.00 15.29 C +ANISOU 507 CG1 VAL A 75 2219 1739 1851 -234 -687 208 C +ATOM 508 CG2 VAL A 75 -22.655 5.435 -8.141 1.00 18.88 C +ANISOU 508 CG2 VAL A 75 2591 3076 1504 -163 -784 177 C +ATOM 509 N TYR A 76 -21.638 2.734 -4.494 1.00 11.99 N +ANISOU 509 N TYR A 76 2133 1031 1391 302 -983 69 N +ATOM 510 CA TYR A 76 -21.221 2.385 -3.156 1.00 11.81 C +ANISOU 510 CA TYR A 76 2292 972 1220 114 -825 -49 C +ATOM 511 C TYR A 76 -19.930 3.112 -2.789 1.00 14.91 C +ANISOU 511 C TYR A 76 2316 1416 1933 23 -613 -69 C +ATOM 512 O TYR A 76 -18.860 2.823 -3.347 1.00 18.23 O +ANISOU 512 O TYR A 76 2400 2319 2204 -18 -341 -452 O +ATOM 513 CB TYR A 76 -21.059 0.852 -3.093 1.00 15.72 C +ANISOU 513 CB TYR A 76 2802 979 2190 131 -865 130 C +ATOM 514 CG TYR A 76 -22.388 0.162 -3.225 1.00 16.34 C +ANISOU 514 CG TYR A 76 2921 1369 1919 77 -694 -161 C +ATOM 515 CD1 TYR A 76 -22.895 -0.212 -4.484 1.00 17.33 C +ANISOU 515 CD1 TYR A 76 2951 1246 2386 194 -1111 -334 C +ATOM 516 CD2 TYR A 76 -23.188 -0.039 -2.099 1.00 17.43 C +ANISOU 516 CD2 TYR A 76 2808 1571 2243 268 -586 253 C +ATOM 517 CE1 TYR A 76 -24.127 -0.820 -4.585 1.00 18.07 C +ANISOU 517 CE1 TYR A 76 2918 1221 2727 175 -491 -183 C +ATOM 518 CE2 TYR A 76 -24.432 -0.639 -2.198 1.00 18.56 C +ANISOU 518 CE2 TYR A 76 3010 1598 2443 100 -514 -270 C +ATOM 519 CZ TYR A 76 -24.912 -0.981 -3.440 1.00 17.70 C +ANISOU 519 CZ TYR A 76 3260 984 2478 -375 -675 -125 C +ATOM 520 OH TYR A 76 -26.158 -1.565 -3.537 1.00 20.37 O +ANISOU 520 OH TYR A 76 3070 1413 3255 -198 -1464 -368 O +ATOM 521 N CYS A 77 -20.028 4.040 -1.841 1.00 15.82 N +ANISOU 521 N CYS A 77 2615 1517 1878 -184 -714 -94 N +ATOM 522 CA CYS A 77 -18.931 4.955 -1.533 1.00 14.86 C +ANISOU 522 CA CYS A 77 2364 1342 1937 4 -575 -221 C +ATOM 523 C CYS A 77 -18.537 4.960 -0.053 1.00 16.39 C +ANISOU 523 C CYS A 77 2710 1456 2060 -54 -694 -73 C +ATOM 524 O CYS A 77 -17.921 5.914 0.414 1.00 18.38 O +ANISOU 524 O CYS A 77 2971 1266 2744 126 -1071 -304 O +ATOM 525 CB CYS A 77 -19.265 6.370 -2.027 1.00 15.87 C +ANISOU 525 CB CYS A 77 2293 1598 2138 -134 -694 167 C +ATOM 526 SG CYS A 77 -20.893 6.969 -1.532 1.00 16.49 S +ANISOU 526 SG CYS A 77 2678 1571 2014 -122 -466 93 S +ATOM 527 N SER A 78 -18.871 3.893 0.677 1.00 17.72 N +ANISOU 527 N SER A 78 3275 1428 2026 113 -673 16 N +ATOM 528 CA ASER A 78 -18.465 3.780 2.073 0.50 20.01 C +ANISOU 528 CA ASER A 78 3718 1592 2290 -310 -1099 228 C +ATOM 529 CA BSER A 78 -18.467 3.737 2.079 0.50 20.73 C +ANISOU 529 CA BSER A 78 3733 1783 2359 -345 -1170 341 C +ATOM 530 C SER A 78 -16.934 3.634 2.138 1.00 22.15 C +ANISOU 530 C SER A 78 3850 1847 2717 -20 -1014 278 C +ATOM 531 O SER A 78 -16.298 3.086 1.211 1.00 27.74 O +ANISOU 531 O SER A 78 3617 2681 4241 642 -574 245 O +ATOM 532 CB ASER A 78 -19.146 2.573 2.703 0.50 22.23 C +ANISOU 532 CB ASER A 78 4755 2262 1427 -763 -1300 520 C +ATOM 533 CB BSER A 78 -19.141 2.494 2.702 0.50 26.68 C +ANISOU 533 CB BSER A 78 4930 2324 2880 -976 -1477 787 C +ATOM 534 OG ASER A 78 -18.658 1.427 2.060 0.50 23.99 O +ANISOU 534 OG ASER A 78 3852 1605 3657 -672 -954 862 O +ATOM 535 OG BSER A 78 -19.215 2.576 4.123 0.50 29.11 O +ANISOU 535 OG BSER A 78 4423 3762 2872 -848 -1838 1860 O +ATOM 536 N ASN A 79 -16.324 4.145 3.198 1.00 24.79 N +ANISOU 536 N ASN A 79 4076 2690 2651 -445 -1348 1043 N +ATOM 537 CA ASN A 79 -14.856 4.069 3.314 1.00 26.09 C +ANISOU 537 CA ASN A 79 4008 2834 3069 127 -1118 626 C +ATOM 538 C ASN A 79 -14.099 4.685 2.136 1.00 27.24 C +ANISOU 538 C ASN A 79 4063 2723 3562 455 -1022 1190 C +ATOM 539 O ASN A 79 -13.000 4.238 1.774 1.00 28.62 O +ANISOU 539 O ASN A 79 4290 2735 3850 450 -681 1801 O +ATOM 540 CB ASN A 79 -14.418 2.617 3.499 1.00 29.79 C +ANISOU 540 CB ASN A 79 4166 3091 4059 152 -878 1557 C +ATOM 541 CG ASN A 79 -14.801 2.069 4.856 1.00 32.67 C +ANISOU 541 CG ASN A 79 4718 4131 3565 609 -640 1133 C +ATOM 542 OD1 ASN A 79 -14.939 0.869 5.023 1.00 38.45 O +ANISOU 542 OD1 ASN A 79 5561 4109 4939 328 372 670 O +ATOM 543 ND2 ASN A 79 -14.983 2.957 5.834 1.00 38.42 N +ANISOU 543 ND2 ASN A 79 6733 4376 3487 -1012 -863 682 N +ATOM 544 N ASP A 80 -14.712 5.690 1.519 1.00 22.58 N +ANISOU 544 N ASP A 80 3879 1766 2932 278 -562 692 N +ATOM 545 CA ASP A 80 -14.081 6.437 0.446 1.00 19.78 C +ANISOU 545 CA ASP A 80 2797 1937 2779 -53 -1014 688 C +ATOM 546 C ASP A 80 -14.285 7.924 0.710 1.00 19.05 C +ANISOU 546 C ASP A 80 2710 2127 2399 257 -917 508 C +ATOM 547 O ASP A 80 -15.301 8.324 1.308 1.00 18.93 O +ANISOU 547 O ASP A 80 2662 1808 2721 333 -996 533 O +ATOM 548 CB ASP A 80 -14.696 6.041 -0.896 1.00 20.37 C +ANISOU 548 CB ASP A 80 2918 2198 2623 -87 -528 212 C +ATOM 549 CG ASP A 80 -13.897 6.577 -2.080 1.00 21.34 C +ANISOU 549 CG ASP A 80 3104 2099 2904 260 -332 319 C +ATOM 550 OD1 ASP A 80 -13.058 5.828 -2.599 1.00 23.73 O +ANISOU 550 OD1 ASP A 80 2848 2586 3582 614 31 658 O +ATOM 551 OD2 ASP A 80 -14.088 7.747 -2.454 1.00 21.93 O +ANISOU 551 OD2 ASP A 80 3127 2293 2910 265 -783 654 O +ATOM 552 N LEU A 81 -13.326 8.746 0.289 1.00 19.99 N +ANISOU 552 N LEU A 81 2877 1754 2964 39 -1287 653 N +ATOM 553 CA LEU A 81 -13.499 10.214 0.393 1.00 20.55 C +ANISOU 553 CA LEU A 81 2669 1805 3332 -12 -1143 656 C +ATOM 554 C LEU A 81 -14.852 10.651 -0.139 1.00 17.26 C +ANISOU 554 C LEU A 81 2379 1957 2220 -50 -732 169 C +ATOM 555 O LEU A 81 -15.494 11.509 0.445 1.00 18.28 O +ANISOU 555 O LEU A 81 2154 1892 2898 148 -851 291 O +ATOM 556 CB LEU A 81 -12.389 10.975 -0.352 1.00 21.57 C +ANISOU 556 CB LEU A 81 1940 2095 4160 54 -722 472 C +ATOM 557 CG LEU A 81 -12.421 12.518 -0.302 1.00 24.33 C +ANISOU 557 CG LEU A 81 2770 2204 4268 389 -726 701 C +ATOM 558 CD1 LEU A 81 -12.406 13.031 1.119 1.00 26.74 C +ANISOU 558 CD1 LEU A 81 3220 2517 4420 -4 -1081 -305 C +ATOM 559 CD2 LEU A 81 -11.242 13.088 -1.055 1.00 28.45 C +ANISOU 559 CD2 LEU A 81 2151 3186 5472 342 -527 598 C +ATOM 560 N LEU A 82 -15.302 10.026 -1.223 1.00 14.83 N +ANISOU 560 N LEU A 82 1952 1383 2298 -4 -883 202 N +ATOM 561 CA LEU A 82 -16.596 10.436 -1.818 1.00 14.98 C +ANISOU 561 CA LEU A 82 2028 1492 2169 89 -873 192 C +ATOM 562 C LEU A 82 -17.738 10.280 -0.820 1.00 15.04 C +ANISOU 562 C LEU A 82 2382 1424 1906 70 -701 201 C +ATOM 563 O LEU A 82 -18.598 11.164 -0.707 1.00 15.06 O +ANISOU 563 O LEU A 82 2302 1543 1873 114 -865 -14 O +ATOM 564 CB LEU A 82 -16.912 9.658 -3.108 1.00 12.91 C +ANISOU 564 CB LEU A 82 1548 1646 1708 143 -626 284 C +ATOM 565 CG LEU A 82 -18.230 10.005 -3.793 1.00 13.76 C +ANISOU 565 CG LEU A 82 1851 1427 1949 354 -809 287 C +ATOM 566 CD1 LEU A 82 -18.331 11.492 -4.103 1.00 14.36 C +ANISOU 566 CD1 LEU A 82 2235 1473 1748 445 -233 475 C +ATOM 567 CD2 LEU A 82 -18.438 9.158 -5.033 1.00 18.48 C +ANISOU 567 CD2 LEU A 82 2735 2224 2060 272 -408 -223 C +ATOM 568 N GLY A 83 -17.770 9.150 -0.111 1.00 14.64 N +ANISOU 568 N GLY A 83 2376 1548 1636 -82 -812 260 N +ATOM 569 CA GLY A 83 -18.803 8.969 0.942 1.00 16.19 C +ANISOU 569 CA GLY A 83 2778 1321 2050 -75 -374 20 C +ATOM 570 C GLY A 83 -18.697 9.963 2.096 1.00 17.03 C +ANISOU 570 C GLY A 83 2719 1787 1965 -40 -733 -58 C +ATOM 571 O GLY A 83 -19.717 10.415 2.621 1.00 17.32 O +ANISOU 571 O GLY A 83 2939 1704 1935 10 -558 -123 O +ATOM 572 N ASP A 84 -17.483 10.345 2.481 1.00 15.65 N +ANISOU 572 N ASP A 84 2870 1354 1721 162 -1016 233 N +ATOM 573 CA ASP A 84 -17.344 11.371 3.537 1.00 17.85 C +ANISOU 573 CA ASP A 84 3044 1408 2328 -64 -1349 34 C +ATOM 574 C ASP A 84 -17.897 12.720 3.055 1.00 17.36 C +ANISOU 574 C ASP A 84 2853 1786 1955 284 -761 277 C +ATOM 575 O ASP A 84 -18.555 13.442 3.812 1.00 19.45 O +ANISOU 575 O ASP A 84 3341 1998 2050 232 -749 -203 O +ATOM 576 CB ASP A 84 -15.879 11.530 3.981 1.00 20.71 C +ANISOU 576 CB ASP A 84 2882 1917 3070 -40 -1501 435 C +ATOM 577 CG ASP A 84 -15.271 10.247 4.563 1.00 26.17 C +ANISOU 577 CG ASP A 84 3766 2151 4026 330 -1305 686 C +ATOM 578 OD1 ASP A 84 -16.004 9.340 5.039 0.50 23.74 O +ANISOU 578 OD1 ASP A 84 4590 1929 2501 -178 -2106 767 O +ATOM 579 OD2 ASP A 84 -14.029 10.172 4.541 0.50 28.13 O +ANISOU 579 OD2 ASP A 84 3394 2062 5229 127 -3050 144 O +ATOM 580 N LEU A 85 -17.641 13.056 1.793 1.00 15.39 N +ANISOU 580 N LEU A 85 2415 1613 1817 73 -1139 454 N +ATOM 581 CA LEU A 85 -18.120 14.344 1.226 1.00 15.37 C +ANISOU 581 CA LEU A 85 2465 1356 2016 2 -680 364 C +ATOM 582 C LEU A 85 -19.637 14.381 1.005 1.00 15.74 C +ANISOU 582 C LEU A 85 2474 1493 2014 -23 -560 -133 C +ATOM 583 O LEU A 85 -20.271 15.391 1.230 1.00 14.88 O +ANISOU 583 O LEU A 85 2367 1315 1970 -146 -485 154 O +ATOM 584 CB LEU A 85 -17.406 14.633 -0.082 1.00 16.72 C +ANISOU 584 CB LEU A 85 2113 1782 2457 -16 -568 552 C +ATOM 585 CG LEU A 85 -15.884 14.826 0.086 1.00 18.12 C +ANISOU 585 CG LEU A 85 2085 2388 2410 -203 -650 219 C +ATOM 586 CD1 LEU A 85 -15.345 15.247 -1.271 1.00 20.19 C +ANISOU 586 CD1 LEU A 85 2474 2542 2655 674 -132 696 C +ATOM 587 CD2 LEU A 85 -15.455 15.834 1.171 1.00 20.90 C +ANISOU 587 CD2 LEU A 85 2754 2546 2640 -17 -931 88 C +ATOM 588 N PHE A 86 -20.204 13.273 0.509 1.00 14.45 N +ANISOU 588 N PHE A 86 2324 1302 1863 -84 -796 194 N +ATOM 589 CA PHE A 86 -21.632 13.176 0.282 1.00 15.31 C +ANISOU 589 CA PHE A 86 2453 1672 1688 -375 -556 55 C +ATOM 590 C PHE A 86 -22.423 12.845 1.561 1.00 17.39 C +ANISOU 590 C PHE A 86 2927 1893 1784 -457 -517 255 C +ATOM 591 O PHE A 86 -23.637 13.079 1.611 1.00 17.93 O +ANISOU 591 O PHE A 86 3063 2006 1743 190 -208 -238 O +ATOM 592 CB PHE A 86 -21.905 12.136 -0.789 1.00 14.38 C +ANISOU 592 CB PHE A 86 2206 1837 1417 -80 -689 7 C +ATOM 593 CG PHE A 86 -21.776 12.655 -2.217 1.00 13.84 C +ANISOU 593 CG PHE A 86 2211 1490 1558 240 -648 184 C +ATOM 594 CD1 PHE A 86 -21.137 13.866 -2.510 1.00 16.23 C +ANISOU 594 CD1 PHE A 86 2431 1752 1982 264 -395 497 C +ATOM 595 CD2 PHE A 86 -22.303 11.916 -3.270 1.00 15.03 C +ANISOU 595 CD2 PHE A 86 2236 1706 1768 85 -504 -98 C +ATOM 596 CE1 PHE A 86 -21.052 14.340 -3.829 1.00 13.83 C +ANISOU 596 CE1 PHE A 86 1983 1666 1603 302 -315 60 C +ATOM 597 CE2 PHE A 86 -22.209 12.372 -4.581 1.00 14.97 C +ANISOU 597 CE2 PHE A 86 2168 1552 1968 1 -381 156 C +ATOM 598 CZ PHE A 86 -21.582 13.588 -4.865 1.00 14.18 C +ANISOU 598 CZ PHE A 86 2064 1475 1848 74 -244 39 C +ATOM 599 N GLY A 87 -21.735 12.308 2.579 1.00 16.12 N +ANISOU 599 N GLY A 87 3097 1459 1566 -84 -581 -232 N +ATOM 600 CA GLY A 87 -22.375 12.011 3.861 1.00 17.82 C +ANISOU 600 CA GLY A 87 3235 1528 2007 -235 -320 -151 C +ATOM 601 C GLY A 87 -23.225 10.765 3.843 1.00 18.28 C +ANISOU 601 C GLY A 87 3323 1583 2037 -287 -48 -247 C +ATOM 602 O GLY A 87 -24.099 10.608 4.714 1.00 20.48 O +ANISOU 602 O GLY A 87 3571 2216 1993 -467 52 -412 O +ATOM 603 N VAL A 88 -22.968 9.885 2.863 1.00 15.30 N +ANISOU 603 N VAL A 88 2845 1381 1584 -508 -353 -116 N +ATOM 604 CA VAL A 88 -23.773 8.627 2.687 1.00 13.90 C +ANISOU 604 CA VAL A 88 2806 1051 1423 -227 -520 -207 C +ATOM 605 C VAL A 88 -22.862 7.467 2.278 1.00 14.17 C +ANISOU 605 C VAL A 88 2904 1236 1242 76 -353 275 C +ATOM 606 O VAL A 88 -21.812 7.707 1.661 1.00 17.48 O +ANISOU 606 O VAL A 88 2916 1515 2207 -267 -316 -74 O +ATOM 607 CB VAL A 88 -24.909 8.766 1.611 1.00 15.42 C +ANISOU 607 CB VAL A 88 2593 1790 1473 24 -374 66 C +ATOM 608 CG1 VAL A 88 -25.978 9.778 2.033 1.00 20.38 C +ANISOU 608 CG1 VAL A 88 3263 1990 2489 142 -292 -736 C +ATOM 609 CG2 VAL A 88 -24.345 9.158 0.245 1.00 18.44 C +ANISOU 609 CG2 VAL A 88 3145 1911 1950 -407 -4 438 C +ATOM 610 N PRO A 89 -23.236 6.209 2.615 1.00 15.13 N +ANISOU 610 N PRO A 89 2791 1389 1566 -267 -265 -2 N +ATOM 611 CA PRO A 89 -22.436 5.043 2.184 1.00 15.49 C +ANISOU 611 CA PRO A 89 2935 1210 1740 -321 -460 -21 C +ATOM 612 C PRO A 89 -22.804 4.568 0.779 1.00 15.11 C +ANISOU 612 C PRO A 89 2787 1368 1583 12 -580 194 C +ATOM 613 O PRO A 89 -22.081 3.756 0.195 1.00 16.75 O +ANISOU 613 O PRO A 89 2676 1715 1972 -217 -470 190 O +ATOM 614 CB PRO A 89 -22.800 3.975 3.215 1.00 18.14 C +ANISOU 614 CB PRO A 89 3443 1309 2140 -158 -415 237 C +ATOM 615 CG PRO A 89 -24.224 4.327 3.571 1.00 17.94 C +ANISOU 615 CG PRO A 89 3368 1292 2155 -224 33 226 C +ATOM 616 CD PRO A 89 -24.244 5.838 3.626 1.00 17.86 C +ANISOU 616 CD PRO A 89 3362 1327 2095 -621 35 189 C +ATOM 617 N SER A 90 -23.917 5.073 0.241 1.00 14.72 N +ANISOU 617 N SER A 90 2649 1480 1463 -101 -656 -55 N +ATOM 618 CA SER A 90 -24.379 4.691 -1.109 1.00 13.69 C +ANISOU 618 CA SER A 90 2678 1181 1339 -178 -790 307 C +ATOM 619 C SER A 90 -25.396 5.712 -1.570 1.00 14.31 C +ANISOU 619 C SER A 90 2429 1386 1621 -68 -367 275 C +ATOM 620 O SER A 90 -25.974 6.422 -0.746 1.00 16.30 O +ANISOU 620 O SER A 90 2893 1604 1695 -14 -511 -149 O +ATOM 621 CB SER A 90 -25.051 3.287 -1.118 1.00 15.82 C +ANISOU 621 CB SER A 90 2822 1178 2009 -107 -353 251 C +ATOM 622 OG SER A 90 -26.282 3.288 -0.361 1.00 18.72 O +ANISOU 622 OG SER A 90 2880 1657 2574 -334 -486 276 O +ATOM 623 N PHE A 91 -25.619 5.782 -2.883 1.00 14.24 N +ANISOU 623 N PHE A 91 2462 1218 1731 81 -574 329 N +ATOM 624 CA PHE A 91 -26.649 6.671 -3.406 1.00 13.29 C +ANISOU 624 CA PHE A 91 2160 1326 1563 61 -578 116 C +ATOM 625 C PHE A 91 -27.108 6.195 -4.758 1.00 13.41 C +ANISOU 625 C PHE A 91 2030 1408 1657 -41 -401 -159 C +ATOM 626 O PHE A 91 -26.366 5.498 -5.494 1.00 13.72 O +ANISOU 626 O PHE A 91 2062 1199 1951 164 -337 -171 O +ATOM 627 CB PHE A 91 -26.201 8.166 -3.479 1.00 13.47 C +ANISOU 627 CB PHE A 91 2288 1277 1551 90 -389 -190 C +ATOM 628 CG PHE A 91 -25.031 8.432 -4.388 1.00 13.00 C +ANISOU 628 CG PHE A 91 2279 1167 1490 61 -431 161 C +ATOM 629 CD1 PHE A 91 -25.219 8.774 -5.754 1.00 13.71 C +ANISOU 629 CD1 PHE A 91 2702 1164 1343 187 -335 -169 C +ATOM 630 CD2 PHE A 91 -23.720 8.328 -3.900 1.00 15.66 C +ANISOU 630 CD2 PHE A 91 2300 1445 2203 216 -429 9 C +ATOM 631 CE1 PHE A 91 -24.124 9.017 -6.574 1.00 14.41 C +ANISOU 631 CE1 PHE A 91 2175 1372 1928 367 -447 -302 C +ATOM 632 CE2 PHE A 91 -22.625 8.605 -4.717 1.00 14.94 C +ANISOU 632 CE2 PHE A 91 2226 1470 1977 81 -343 -155 C +ATOM 633 CZ PHE A 91 -22.827 8.944 -6.062 1.00 15.42 C +ANISOU 633 CZ PHE A 91 2309 1518 2031 188 -581 -216 C +ATOM 634 N SER A 92 -28.341 6.552 -5.091 1.00 13.72 N +ANISOU 634 N SER A 92 2075 1454 1684 292 -341 -150 N +ATOM 635 CA SER A 92 -28.888 6.206 -6.420 1.00 15.10 C +ANISOU 635 CA SER A 92 2279 1638 1820 -69 -651 78 C +ATOM 636 C SER A 92 -28.495 7.225 -7.498 1.00 15.76 C +ANISOU 636 C SER A 92 2373 1744 1871 142 -177 -71 C +ATOM 637 O SER A 92 -28.685 8.445 -7.323 1.00 15.61 O +ANISOU 637 O SER A 92 2362 1731 1836 15 -288 -226 O +ATOM 638 CB SER A 92 -30.411 6.121 -6.352 1.00 18.24 C +ANISOU 638 CB SER A 92 2181 2475 2274 -122 -675 140 C +ATOM 639 OG SER A 92 -30.934 6.040 -7.673 1.00 17.75 O +ANISOU 639 OG SER A 92 2749 1732 2263 -418 -724 25 O +ATOM 640 N VAL A 93 -27.988 6.728 -8.624 1.00 13.61 N +ANISOU 640 N VAL A 93 2035 1668 1468 -64 -553 -44 N +ATOM 641 CA VAL A 93 -27.641 7.599 -9.764 1.00 13.38 C +ANISOU 641 CA VAL A 93 2108 1333 1641 -13 -528 -61 C +ATOM 642 C VAL A 93 -28.853 8.228 -10.450 1.00 14.84 C +ANISOU 642 C VAL A 93 2291 1463 1884 132 -586 -170 C +ATOM 643 O VAL A 93 -28.687 9.187 -11.224 1.00 17.10 O +ANISOU 643 O VAL A 93 2539 1854 2103 298 -449 126 O +ATOM 644 CB VAL A 93 -26.827 6.821 -10.839 1.00 13.45 C +ANISOU 644 CB VAL A 93 1719 1621 1771 -7 -598 -208 C +ATOM 645 CG1 VAL A 93 -25.540 6.232 -10.223 1.00 17.67 C +ANISOU 645 CG1 VAL A 93 2456 2346 1909 425 -852 231 C +ATOM 646 CG2 VAL A 93 -27.711 5.761 -11.552 1.00 14.97 C +ANISOU 646 CG2 VAL A 93 2338 1503 1848 -73 -681 -319 C +ATOM 647 N LYS A 94 -30.056 7.701 -10.171 1.00 15.50 N +ANISOU 647 N LYS A 94 2090 1574 2226 184 -730 -248 N +ATOM 648 CA LYS A 94 -31.319 8.179 -10.783 1.00 16.46 C +ANISOU 648 CA LYS A 94 2006 1811 2436 293 -583 -63 C +ATOM 649 C LYS A 94 -31.775 9.537 -10.262 1.00 17.56 C +ANISOU 649 C LYS A 94 2446 1838 2385 137 -792 -282 C +ATOM 650 O LYS A 94 -32.550 10.236 -10.931 1.00 20.59 O +ANISOU 650 O LYS A 94 2455 2138 3226 248 -705 155 O +ATOM 651 CB LYS A 94 -32.454 7.152 -10.604 1.00 21.65 C +ANISOU 651 CB LYS A 94 2619 2033 3571 -179 -1220 -285 C +ATOM 652 CG LYS A 94 -32.159 5.748 -11.130 1.00 29.65 C +ANISOU 652 CG LYS A 94 3444 2469 5351 507 -1902 -976 C +ATOM 653 CD LYS A 94 -33.346 4.808 -10.913 1.00 41.63 C +ANISOU 653 CD LYS A 94 4693 3981 7144 -716 -2529 -1126 C +ATOM 654 CE LYS A 94 -33.164 3.456 -11.602 1.00 43.68 C +ANISOU 654 CE LYS A 94 5783 4069 6741 1662 -3316 -799 C +ATOM 655 NZ LYS A 94 -33.112 3.547 -13.097 0.50 46.50 N +ANISOU 655 NZ LYS A 94 8149 2909 6608 4006 -5758 -1762 N +ATOM 656 N GLU A 95 -31.274 9.896 -9.083 1.00 15.63 N +ANISOU 656 N GLU A 95 2317 1496 2124 118 -379 -73 N +ATOM 657 CA AGLU A 95 -31.741 11.049 -8.316 0.50 16.75 C +ANISOU 657 CA AGLU A 95 2505 1552 2305 -124 90 -91 C +ATOM 658 CA BGLU A 95 -31.772 11.063 -8.359 0.50 17.30 C +ANISOU 658 CA BGLU A 95 2613 1542 2416 -159 135 -148 C +ATOM 659 C GLU A 95 -30.867 12.271 -8.600 1.00 14.34 C +ANISOU 659 C GLU A 95 1978 1476 1994 32 -375 203 C +ATOM 660 O GLU A 95 -30.044 12.669 -7.742 1.00 15.58 O +ANISOU 660 O GLU A 95 2422 1455 2042 -27 -224 -43 O +ATOM 661 CB AGLU A 95 -31.679 10.704 -6.820 0.50 18.93 C +ANISOU 661 CB AGLU A 95 2681 2065 2443 -689 49 281 C +ATOM 662 CB BGLU A 95 -31.912 10.725 -6.872 0.50 21.65 C +ANISOU 662 CB BGLU A 95 3156 2472 2596 -748 90 289 C +ATOM 663 CG AGLU A 95 -32.551 9.525 -6.402 0.50 20.54 C +ANISOU 663 CG AGLU A 95 2690 1665 3447 -401 -117 535 C +ATOM 664 CG BGLU A 95 -32.982 9.672 -6.594 0.50 26.24 C +ANISOU 664 CG BGLU A 95 3659 2174 4133 -932 21 5 C +ATOM 665 CD AGLU A 95 -34.030 9.835 -6.513 0.50 23.57 C +ANISOU 665 CD AGLU A 95 2538 2288 4127 -513 -10 143 C +ATOM 666 CD BGLU A 95 -33.057 9.296 -5.134 0.50 33.65 C +ANISOU 666 CD BGLU A 95 4974 3586 4224 -451 541 230 C +ATOM 667 OE1AGLU A 95 -34.408 11.037 -6.440 0.50 22.49 O +ANISOU 667 OE1AGLU A 95 2547 2223 3775 -427 23 876 O +ATOM 668 OE1BGLU A 95 -32.018 8.877 -4.586 0.50 42.34 O +ANISOU 668 OE1BGLU A 95 5693 5458 4933 1057 630 -263 O +ATOM 669 OE2AGLU A 95 -34.809 8.869 -6.672 0.50 23.79 O +ANISOU 669 OE2AGLU A 95 2137 2822 4080 -611 -111 28 O +ATOM 670 OE2BGLU A 95 -34.149 9.412 -4.536 0.50 40.91 O +ANISOU 670 OE2BGLU A 95 4954 3966 6624 284 882 -372 O +ATOM 671 N HIS A 96 -31.012 12.866 -9.800 1.00 12.99 N +ANISOU 671 N HIS A 96 1944 1216 1776 -169 -455 -142 N +ATOM 672 CA HIS A 96 -30.008 13.901 -10.209 1.00 12.81 C +ANISOU 672 CA HIS A 96 1949 1339 1578 -167 -195 -144 C +ATOM 673 C HIS A 96 -30.061 15.120 -9.321 1.00 11.11 C +ANISOU 673 C HIS A 96 1461 1218 1539 73 -207 -129 C +ATOM 674 O HIS A 96 -29.016 15.677 -8.971 1.00 12.01 O +ANISOU 674 O HIS A 96 1573 1380 1610 99 -464 -22 O +ATOM 675 CB HIS A 96 -30.121 14.310 -11.671 1.00 13.32 C +ANISOU 675 CB HIS A 96 2037 1436 1587 250 -575 -213 C +ATOM 676 CG HIS A 96 -29.731 13.202 -12.638 1.00 14.10 C +ANISOU 676 CG HIS A 96 1986 1638 1731 173 -533 -408 C +ATOM 677 ND1 HIS A 96 -29.542 13.419 -13.958 1.00 16.74 N +ANISOU 677 ND1 HIS A 96 2584 1954 1819 -397 -406 -553 N +ATOM 678 CD2 HIS A 96 -29.536 11.830 -12.438 1.00 14.00 C +ANISOU 678 CD2 HIS A 96 1636 1755 1927 191 -263 -248 C +ATOM 679 CE1 HIS A 96 -29.193 12.267 -14.561 1.00 17.49 C +ANISOU 679 CE1 HIS A 96 2819 1908 1918 101 -382 -256 C +ATOM 680 NE2 HIS A 96 -29.221 11.290 -13.652 1.00 15.45 N +ANISOU 680 NE2 HIS A 96 2214 1893 1761 271 -326 -226 N +ATOM 681 N ARG A 97 -31.261 15.560 -8.956 1.00 13.02 N +ANISOU 681 N ARG A 97 1725 1562 1659 367 -130 -152 N +ATOM 682 CA ARG A 97 -31.385 16.729 -8.041 1.00 12.43 C +ANISOU 682 CA ARG A 97 1566 1492 1663 209 -170 -158 C +ATOM 683 C ARG A 97 -30.725 16.433 -6.696 1.00 12.92 C +ANISOU 683 C ARG A 97 1853 1360 1696 -113 -246 15 C +ATOM 684 O ARG A 97 -29.995 17.282 -6.168 1.00 12.18 O +ANISOU 684 O ARG A 97 1735 1477 1415 47 -378 -184 O +ATOM 685 CB ARG A 97 -32.877 17.076 -7.813 1.00 14.36 C +ANISOU 685 CB ARG A 97 1463 1928 2063 263 -356 -178 C +ATOM 686 CG ARG A 97 -33.137 18.191 -6.765 1.00 14.24 C +ANISOU 686 CG ARG A 97 1602 1488 2319 102 -325 -134 C +ATOM 687 CD ARG A 97 -32.365 19.475 -7.075 1.00 12.16 C +ANISOU 687 CD ARG A 97 1428 1652 1539 100 -329 53 C +ATOM 688 NE ARG A 97 -32.680 20.055 -8.407 1.00 13.38 N +ANISOU 688 NE ARG A 97 1701 1701 1682 616 -194 285 N +ATOM 689 CZ ARG A 97 -31.875 20.930 -9.034 1.00 13.14 C +ANISOU 689 CZ ARG A 97 1811 1617 1562 177 -508 208 C +ATOM 690 NH1 ARG A 97 -30.711 21.281 -8.469 1.00 12.52 N +ANISOU 690 NH1 ARG A 97 1785 1567 1403 375 -341 -83 N +ATOM 691 NH2 ARG A 97 -32.226 21.456 -10.233 1.00 13.85 N +ANISOU 691 NH2 ARG A 97 1872 1817 1571 718 -573 110 N +ATOM 692 N LYS A 98 -30.936 15.234 -6.134 1.00 12.60 N +ANISOU 692 N LYS A 98 1768 1328 1688 186 -202 187 N +ATOM 693 CA LYS A 98 -30.284 14.914 -4.844 1.00 13.65 C +ANISOU 693 CA LYS A 98 1780 1492 1911 -85 -424 263 C +ATOM 694 C LYS A 98 -28.748 14.880 -4.971 1.00 12.56 C +ANISOU 694 C LYS A 98 1782 1439 1551 197 -339 -32 C +ATOM 695 O LYS A 98 -28.057 15.344 -4.051 1.00 12.49 O +ANISOU 695 O LYS A 98 1725 1299 1719 242 -483 19 O +ATOM 696 CB LYS A 98 -30.800 13.586 -4.263 1.00 13.77 C +ANISOU 696 CB LYS A 98 1938 1482 1811 -143 18 183 C +ATOM 697 CG LYS A 98 -32.297 13.599 -3.974 1.00 22.24 C +ANISOU 697 CG LYS A 98 2016 2794 3638 -288 308 700 C +ATOM 698 CD LYS A 98 -32.729 12.361 -3.208 1.00 27.95 C +ANISOU 698 CD LYS A 98 3463 3310 3846 -1173 505 594 C +ATOM 699 CE LYS A 98 -34.229 12.395 -2.958 1.00 35.22 C +ANISOU 699 CE LYS A 98 3364 4637 5379 -1170 329 931 C +ATOM 700 NZ LYS A 98 -34.598 11.331 -1.991 1.00 40.82 N +ANISOU 700 NZ LYS A 98 5389 4813 5308 -858 1179 779 N +ATOM 701 N ILE A 99 -28.233 14.383 -6.102 1.00 10.87 N +ANISOU 701 N ILE A 99 1322 1278 1529 -7 -442 101 N +ATOM 702 CA ILE A 99 -26.770 14.405 -6.357 1.00 11.63 C +ANISOU 702 CA ILE A 99 1552 1104 1762 121 -122 -176 C +ATOM 703 C ILE A 99 -26.265 15.863 -6.464 1.00 10.82 C +ANISOU 703 C ILE A 99 1680 1150 1280 16 -491 -47 C +ATOM 704 O ILE A 99 -25.270 16.225 -5.824 1.00 11.75 O +ANISOU 704 O ILE A 99 1672 1324 1467 139 -506 -187 O +ATOM 705 CB ILE A 99 -26.407 13.559 -7.583 1.00 10.21 C +ANISOU 705 CB ILE A 99 1495 1198 1183 -41 -205 121 C +ATOM 706 CG1 ILE A 99 -26.681 12.091 -7.246 1.00 12.89 C +ANISOU 706 CG1 ILE A 99 2277 1069 1549 -255 -557 -170 C +ATOM 707 CG2 ILE A 99 -24.939 13.735 -7.949 1.00 11.84 C +ANISOU 707 CG2 ILE A 99 1384 1503 1609 280 -87 -149 C +ATOM 708 CD1 ILE A 99 -26.735 11.187 -8.470 1.00 14.00 C +ANISOU 708 CD1 ILE A 99 2231 1465 1622 -8 -587 -460 C +ATOM 709 N TYR A 100 -26.975 16.704 -7.226 1.00 10.74 N +ANISOU 709 N TYR A 100 1620 1097 1362 199 -230 -34 N +ATOM 710 CA TYR A 100 -26.627 18.128 -7.274 1.00 11.24 C +ANISOU 710 CA TYR A 100 1988 1077 1205 221 -426 -79 C +ATOM 711 C TYR A 100 -26.568 18.741 -5.867 1.00 11.66 C +ANISOU 711 C TYR A 100 1890 1342 1197 0 -191 -98 C +ATOM 712 O TYR A 100 -25.600 19.438 -5.540 1.00 11.05 O +ANISOU 712 O TYR A 100 1724 1159 1314 257 -364 -167 O +ATOM 713 CB TYR A 100 -27.555 18.926 -8.205 1.00 11.25 C +ANISOU 713 CB TYR A 100 1922 1366 985 225 -367 2 C +ATOM 714 CG TYR A 100 -26.993 19.039 -9.635 1.00 10.03 C +ANISOU 714 CG TYR A 100 1804 952 1051 180 -269 -150 C +ATOM 715 CD1 TYR A 100 -26.669 17.902 -10.412 1.00 13.19 C +ANISOU 715 CD1 TYR A 100 2025 1373 1613 381 -332 -539 C +ATOM 716 CD2 TYR A 100 -26.705 20.282 -10.166 1.00 10.97 C +ANISOU 716 CD2 TYR A 100 1576 1304 1289 74 -318 325 C +ATOM 717 CE1 TYR A 100 -26.107 18.047 -11.666 1.00 14.65 C +ANISOU 717 CE1 TYR A 100 2118 1783 1663 48 -366 -140 C +ATOM 718 CE2 TYR A 100 -26.170 20.435 -11.441 1.00 12.00 C +ANISOU 718 CE2 TYR A 100 1941 1498 1119 63 -376 -132 C +ATOM 719 CZ TYR A 100 -25.853 19.324 -12.180 1.00 13.25 C +ANISOU 719 CZ TYR A 100 2001 1648 1386 273 -503 -262 C +ATOM 720 OH TYR A 100 -25.255 19.475 -13.424 1.00 15.32 O +ANISOU 720 OH TYR A 100 2474 1877 1468 324 -371 78 O +ATOM 721 N THR A 101 -27.567 18.451 -5.030 1.00 11.08 N +ANISOU 721 N THR A 101 1797 1264 1146 276 -155 -27 N +ATOM 722 CA THR A 101 -27.568 18.979 -3.652 1.00 10.90 C +ANISOU 722 CA THR A 101 1805 1249 1086 229 -103 64 C +ATOM 723 C THR A 101 -26.322 18.537 -2.875 1.00 12.15 C +ANISOU 723 C THR A 101 1900 1294 1420 149 -311 -81 C +ATOM 724 O THR A 101 -25.711 19.335 -2.162 1.00 13.34 O +ANISOU 724 O THR A 101 2107 1331 1628 146 -293 -277 O +ATOM 725 CB THR A 101 -28.871 18.546 -2.945 1.00 12.01 C +ANISOU 725 CB THR A 101 1694 1718 1149 326 -94 181 C +ATOM 726 OG1 THR A 101 -29.973 19.143 -3.646 1.00 13.24 O +ANISOU 726 OG1 THR A 101 1901 1385 1742 414 -203 278 O +ATOM 727 CG2 THR A 101 -28.903 18.970 -1.476 1.00 14.48 C +ANISOU 727 CG2 THR A 101 2477 1648 1375 -86 59 -159 C +ATOM 728 N MET A 102 -25.969 17.257 -2.977 1.00 12.60 N +ANISOU 728 N MET A 102 2050 1425 1312 476 -418 -149 N +ATOM 729 CA MET A 102 -24.766 16.754 -2.284 1.00 11.35 C +ANISOU 729 CA MET A 102 1770 1005 1536 270 -344 -66 C +ATOM 730 C MET A 102 -23.497 17.455 -2.801 1.00 11.91 C +ANISOU 730 C MET A 102 1966 1202 1355 83 -430 56 C +ATOM 731 O MET A 102 -22.582 17.740 -2.011 1.00 13.57 O +ANISOU 731 O MET A 102 2001 1425 1729 -100 -536 -16 O +ATOM 732 CB MET A 102 -24.666 15.220 -2.423 1.00 11.63 C +ANISOU 732 CB MET A 102 1911 931 1575 86 -366 264 C +ATOM 733 CG MET A 102 -25.748 14.520 -1.611 1.00 14.98 C +ANISOU 733 CG MET A 102 2232 1556 1901 -299 44 -46 C +ATOM 734 SD MET A 102 -25.590 12.705 -1.554 1.00 16.80 S +ANISOU 734 SD MET A 102 2586 1647 2147 0 -527 285 S +ATOM 735 CE MET A 102 -26.029 12.276 -3.227 1.00 17.26 C +ANISOU 735 CE MET A 102 2776 1691 2089 -108 -584 133 C +ATOM 736 N ILE A 103 -23.436 17.714 -4.109 1.00 10.36 N +ANISOU 736 N ILE A 103 1633 916 1386 77 -356 -58 N +ATOM 737 CA ILE A 103 -22.311 18.459 -4.665 1.00 10.49 C +ANISOU 737 CA ILE A 103 1715 1194 1076 -15 -414 -65 C +ATOM 738 C ILE A 103 -22.320 19.910 -4.183 1.00 11.05 C +ANISOU 738 C ILE A 103 1661 1194 1341 170 -572 -119 C +ATOM 739 O ILE A 103 -21.270 20.412 -3.774 1.00 11.83 O +ANISOU 739 O ILE A 103 1624 1277 1591 114 -606 -207 O +ATOM 740 CB ILE A 103 -22.293 18.396 -6.200 1.00 12.05 C +ANISOU 740 CB ILE A 103 2034 1506 1037 9 -380 -101 C +ATOM 741 CG1 ILE A 103 -22.083 16.910 -6.621 1.00 12.76 C +ANISOU 741 CG1 ILE A 103 1876 1572 1400 0 -611 -229 C +ATOM 742 CG2 ILE A 103 -21.203 19.328 -6.765 1.00 13.74 C +ANISOU 742 CG2 ILE A 103 2108 1852 1259 -92 -316 -47 C +ATOM 743 CD1 ILE A 103 -22.304 16.644 -8.100 1.00 14.54 C +ANISOU 743 CD1 ILE A 103 1979 2137 1406 -164 -430 -434 C +ATOM 744 N TYR A 104 -23.480 20.580 -4.171 1.00 11.87 N +ANISOU 744 N TYR A 104 1976 1120 1410 394 -162 -152 N +ATOM 745 CA TYR A 104 -23.509 22.002 -3.713 1.00 11.87 C +ANISOU 745 CA TYR A 104 1889 1262 1357 299 -571 -331 C +ATOM 746 C TYR A 104 -22.959 22.139 -2.289 1.00 12.10 C +ANISOU 746 C TYR A 104 2281 1072 1242 198 -560 -64 C +ATOM 747 O TYR A 104 -22.309 23.142 -1.978 1.00 12.85 O +ANISOU 747 O TYR A 104 1989 1439 1452 -27 -700 36 O +ATOM 748 CB TYR A 104 -24.927 22.583 -3.763 1.00 12.62 C +ANISOU 748 CB TYR A 104 1782 1669 1343 344 -495 201 C +ATOM 749 CG TYR A 104 -25.394 22.905 -5.182 1.00 11.59 C +ANISOU 749 CG TYR A 104 1950 1179 1274 138 -560 0 C +ATOM 750 CD1 TYR A 104 -26.574 22.362 -5.700 1.00 11.98 C +ANISOU 750 CD1 TYR A 104 1717 1604 1231 216 -591 -56 C +ATOM 751 CD2 TYR A 104 -24.666 23.790 -5.991 1.00 13.44 C +ANISOU 751 CD2 TYR A 104 1908 1763 1434 155 -397 380 C +ATOM 752 CE1 TYR A 104 -27.017 22.678 -7.007 1.00 11.47 C +ANISOU 752 CE1 TYR A 104 1668 1397 1289 369 -485 130 C +ATOM 753 CE2 TYR A 104 -25.095 24.088 -7.312 1.00 14.07 C +ANISOU 753 CE2 TYR A 104 2113 1678 1555 66 -573 431 C +ATOM 754 CZ TYR A 104 -26.297 23.546 -7.784 1.00 13.18 C +ANISOU 754 CZ TYR A 104 1921 1426 1658 363 -425 85 C +ATOM 755 OH TYR A 104 -26.712 23.807 -9.080 1.00 14.97 O +ANISOU 755 OH TYR A 104 2270 1602 1814 318 -527 73 O +ATOM 756 N ARG A 105 -23.173 21.126 -1.448 1.00 12.14 N +ANISOU 756 N ARG A 105 2182 1262 1166 318 -331 36 N +ATOM 757 CA ARG A 105 -22.638 21.171 -0.071 1.00 13.34 C +ANISOU 757 CA ARG A 105 2378 1318 1371 267 -687 102 C +ATOM 758 C ARG A 105 -21.108 21.289 -0.046 1.00 13.91 C +ANISOU 758 C ARG A 105 2384 1309 1589 291 -835 -207 C +ATOM 759 O ARG A 105 -20.516 21.752 0.964 1.00 17.90 O +ANISOU 759 O ARG A 105 3098 2225 1478 207 -978 -296 O +ATOM 760 CB ARG A 105 -23.002 19.894 0.686 1.00 19.47 C +ANISOU 760 CB ARG A 105 3274 1711 2410 21 -386 571 C +ATOM 761 CG ARG A 105 -24.474 19.688 0.902 1.00 24.14 C +ANISOU 761 CG ARG A 105 3694 2521 2956 10 -154 824 C +ATOM 762 CD ARG A 105 -24.757 18.799 2.108 1.00 36.91 C +ANISOU 762 CD ARG A 105 5606 4919 3500 -1183 1549 1291 C +ATOM 763 NE ARG A 105 -26.099 18.249 1.994 1.00 37.62 N +ANISOU 763 NE ARG A 105 6411 4678 3204 -1333 186 671 N +ATOM 764 CZ ARG A 105 -26.356 16.956 1.875 0.50 36.67 C +ANISOU 764 CZ ARG A 105 5321 4201 4410 -401 -357 479 C +ATOM 765 NH1 ARG A 105 -25.358 16.073 1.880 0.50 28.47 N +ANISOU 765 NH1 ARG A 105 4890 3947 1980 -755 -1018 -898 N +ATOM 766 NH2 ARG A 105 -27.609 16.548 1.766 0.50 35.82 N +ANISOU 766 NH2 ARG A 105 4570 4266 4771 621 -605 1982 N +ATOM 767 N ASN A 106 -20.497 20.829 -1.143 1.00 13.70 N +ANISOU 767 N ASN A 106 2137 1415 1652 146 -490 176 N +ATOM 768 CA ASN A 106 -19.064 20.692 -1.293 1.00 13.67 C +ANISOU 768 CA ASN A 106 2317 1135 1742 243 -515 -96 C +ATOM 769 C ASN A 106 -18.429 21.804 -2.096 1.00 12.73 C +ANISOU 769 C ASN A 106 2149 1398 1288 206 -774 20 C +ATOM 770 O ASN A 106 -17.236 21.734 -2.407 1.00 15.41 O +ANISOU 770 O ASN A 106 2228 1587 2037 230 -796 -36 O +ATOM 771 CB ASN A 106 -18.777 19.310 -1.910 1.00 12.91 C +ANISOU 771 CB ASN A 106 2330 965 1608 292 -684 131 C +ATOM 772 CG ASN A 106 -18.905 18.215 -0.899 1.00 15.55 C +ANISOU 772 CG ASN A 106 2669 1203 2035 49 -1185 419 C +ATOM 773 OD1 ASN A 106 -19.928 17.499 -0.829 1.00 18.59 O +ANISOU 773 OD1 ASN A 106 2632 1985 2446 -146 -940 128 O +ATOM 774 ND2 ASN A 106 -17.898 18.087 -0.091 1.00 16.95 N +ANISOU 774 ND2 ASN A 106 2421 1467 2552 64 -1246 600 N +ATOM 775 N LEU A 107 -19.219 22.840 -2.426 1.00 13.23 N +ANISOU 775 N LEU A 107 2207 1225 1593 268 -691 -92 N +ATOM 776 CA LEU A 107 -18.708 24.016 -3.144 1.00 13.69 C +ANISOU 776 CA LEU A 107 2049 1264 1887 121 -870 32 C +ATOM 777 C LEU A 107 -18.558 25.220 -2.235 1.00 14.58 C +ANISOU 777 C LEU A 107 2456 1416 1668 -198 -659 -9 C +ATOM 778 O LEU A 107 -19.277 25.341 -1.238 1.00 16.54 O +ANISOU 778 O LEU A 107 2635 1403 2246 -132 -598 -182 O +ATOM 779 CB LEU A 107 -19.664 24.431 -4.273 1.00 13.20 C +ANISOU 779 CB LEU A 107 2094 1360 1558 99 -726 35 C +ATOM 780 CG LEU A 107 -20.039 23.305 -5.243 1.00 13.11 C +ANISOU 780 CG LEU A 107 1848 1614 1518 129 -751 -57 C +ATOM 781 CD1 LEU A 107 -21.078 23.793 -6.221 1.00 17.03 C +ANISOU 781 CD1 LEU A 107 2429 2003 2037 173 -1106 440 C +ATOM 782 CD2 LEU A 107 -18.812 22.771 -5.992 1.00 14.60 C +ANISOU 782 CD2 LEU A 107 1755 1744 2046 451 -544 175 C +ATOM 783 N VAL A 108 -17.657 26.129 -2.588 1.00 14.48 N +ANISOU 783 N VAL A 108 1915 1248 2338 -96 -995 148 N +ATOM 784 CA VAL A 108 -17.527 27.397 -1.845 1.00 16.27 C +ANISOU 784 CA VAL A 108 2552 1568 2062 48 -955 -103 C +ATOM 785 C VAL A 108 -18.851 28.186 -1.931 1.00 18.26 C +ANISOU 785 C VAL A 108 2591 1959 2388 92 -716 149 C +ATOM 786 O VAL A 108 -19.513 28.172 -2.975 1.00 17.46 O +ANISOU 786 O VAL A 108 2415 1896 2320 310 -571 281 O +ATOM 787 CB VAL A 108 -16.356 28.209 -2.388 1.00 17.17 C +ANISOU 787 CB VAL A 108 2362 1254 2906 121 -1025 187 C +ATOM 788 CG1 VAL A 108 -16.270 29.592 -1.727 1.00 20.21 C +ANISOU 788 CG1 VAL A 108 3074 1300 3301 -487 -613 54 C +ATOM 789 CG2 VAL A 108 -15.046 27.455 -2.150 1.00 18.12 C +ANISOU 789 CG2 VAL A 108 2476 1640 2768 398 -1009 59 C +ATOM 790 OXT VAL A 108 -19.318 28.816 -0.958 1.00 22.60 O +ANISOU 790 OXT VAL A 108 3589 2063 2932 323 -417 166 O +TER 791 VAL A 108 +HETATM 792 O3 NUT A 201 -23.667 5.839 -16.568 1.00 18.16 O +ANISOU 792 O3 NUT A 201 2971 1682 2248 136 -173 -588 O +HETATM 793 C25 NUT A 201 -23.015 6.538 -15.757 1.00 16.08 C +ANISOU 793 C25 NUT A 201 2123 1719 2267 314 -363 -344 C +HETATM 794 N2 NUT A 201 -21.695 6.402 -15.710 1.00 16.62 N +ANISOU 794 N2 NUT A 201 2187 2008 2117 154 56 -1030 N +HETATM 795 C29 NUT A 201 -21.006 5.564 -16.697 1.00 18.26 C +ANISOU 795 C29 NUT A 201 2767 2416 1753 405 -93 -1129 C +HETATM 796 C28 NUT A 201 -19.624 6.037 -17.066 1.00 21.25 C +ANISOU 796 C28 NUT A 201 3157 2714 2199 536 400 -787 C +HETATM 797 O2 NUT A 201 -19.027 5.438 -17.957 1.00 26.40 O +ANISOU 797 O2 NUT A 201 3704 3591 2733 1379 798 -838 O +HETATM 798 N3 NUT A 201 -19.096 7.088 -16.423 1.00 19.48 N +ANISOU 798 N3 NUT A 201 2555 2737 2107 -18 258 -379 N +HETATM 799 C27 NUT A 201 -19.765 7.777 -15.316 1.00 18.67 C +ANISOU 799 C27 NUT A 201 2451 2591 2049 -86 188 -350 C +HETATM 800 C26 NUT A 201 -20.851 6.955 -14.647 1.00 17.26 C +ANISOU 800 C26 NUT A 201 1996 2035 2527 -202 -446 -317 C +HETATM 801 N1 NUT A 201 -23.728 7.387 -14.970 1.00 13.52 N +ANISOU 801 N1 NUT A 201 2033 1394 1708 -58 -456 -184 N +HETATM 802 C10 NUT A 201 -25.032 7.173 -14.710 1.00 15.25 C +ANISOU 802 C10 NUT A 201 2213 1466 2112 -164 -146 -292 C +HETATM 803 C9 NUT A 201 -25.716 5.849 -14.559 1.00 13.04 C +ANISOU 803 C9 NUT A 201 2045 1190 1718 142 -301 -125 C +HETATM 804 C3 NUT A 201 -27.003 5.643 -15.033 1.00 15.29 C +ANISOU 804 C3 NUT A 201 2308 1346 2152 -343 -478 -226 C +HETATM 805 C2 NUT A 201 -27.636 4.390 -14.872 1.00 13.86 C +ANISOU 805 C2 NUT A 201 2166 1362 1735 -310 -648 -336 C +HETATM 806 C5 NUT A 201 -25.021 4.742 -13.878 1.00 12.69 C +ANISOU 806 C5 NUT A 201 1861 1362 1596 22 -523 5 C +HETATM 807 O1 NUT A 201 -23.751 4.950 -13.415 1.00 14.16 O +ANISOU 807 O1 NUT A 201 1996 1489 1895 66 -794 -20 O +HETATM 808 C6 NUT A 201 -23.077 3.927 -12.640 1.00 14.20 C +ANISOU 808 C6 NUT A 201 2041 1299 2053 187 -837 -266 C +HETATM 809 C8 NUT A 201 -22.445 2.900 -13.586 1.00 17.73 C +ANISOU 809 C8 NUT A 201 2325 1903 2506 434 -583 -502 C +HETATM 810 C7 NUT A 201 -22.063 4.596 -11.718 1.00 16.82 C +ANISOU 810 C7 NUT A 201 2163 1746 2481 -436 -911 -44 C +HETATM 811 C4 NUT A 201 -25.678 3.512 -13.732 1.00 13.78 C +ANISOU 811 C4 NUT A 201 1725 1650 1859 -280 -605 -223 C +HETATM 812 C1 NUT A 201 -26.973 3.348 -14.207 1.00 14.18 C +ANISOU 812 C1 NUT A 201 1738 1722 1927 -308 -598 -37 C +HETATM 813 O NUT A 201 -27.557 2.127 -14.022 1.00 15.19 O +ANISOU 813 O NUT A 201 1823 1762 2183 -300 -672 -257 O +HETATM 814 C NUT A 201 -28.863 1.822 -14.540 1.00 16.25 C +ANISOU 814 C NUT A 201 1824 1736 2613 -235 -905 -177 C +HETATM 815 C18 NUT A 201 -23.330 8.774 -14.740 1.00 15.90 C +ANISOU 815 C18 NUT A 201 2442 1522 2076 3 -340 -673 C +HETATM 816 C19 NUT A 201 -22.897 9.233 -13.374 1.00 13.46 C +ANISOU 816 C19 NUT A 201 1805 1625 1682 -85 -213 -131 C +HETATM 817 C24 NUT A 201 -22.198 10.451 -13.326 1.00 14.37 C +ANISOU 817 C24 NUT A 201 2078 1552 1830 31 -401 -386 C +HETATM 818 C23 NUT A 201 -21.867 10.994 -12.087 1.00 13.16 C +ANISOU 818 C23 NUT A 201 2292 1179 1528 162 -65 -192 C +HETATM 819 C22 NUT A 201 -22.260 10.321 -10.942 1.00 13.69 C +ANISOU 819 C22 NUT A 201 1981 1538 1681 16 -265 80 C +HETATM 820 CL1 NUT A 201 -21.928 11.079 -9.376 1.00 17.12 CL +ANISOU 820 CL1 NUT A 201 2523 1738 2243 286 -664 -259 CL +HETATM 821 C21 NUT A 201 -22.988 9.123 -10.942 1.00 13.60 C +ANISOU 821 C21 NUT A 201 1978 1403 1785 29 -219 -205 C +HETATM 822 C20 NUT A 201 -23.300 8.579 -12.190 1.00 13.58 C +ANISOU 822 C20 NUT A 201 1825 1687 1648 277 -303 -67 C +HETATM 823 C11 NUT A 201 -24.792 9.367 -15.038 1.00 15.99 C +ANISOU 823 C11 NUT A 201 2361 1668 2044 -45 -3 -155 C +HETATM 824 N NUT A 201 -25.707 8.251 -14.709 1.00 15.64 N +ANISOU 824 N NUT A 201 2003 1838 2100 4 -811 -79 N +HETATM 825 C12 NUT A 201 -25.194 10.617 -14.301 1.00 13.29 C +ANISOU 825 C12 NUT A 201 1863 1637 1548 132 -261 61 C +HETATM 826 C17 NUT A 201 -24.980 11.874 -14.865 1.00 14.98 C +ANISOU 826 C17 NUT A 201 1984 1418 2287 32 -363 -191 C +HETATM 827 C16 NUT A 201 -25.355 13.035 -14.145 1.00 14.37 C +ANISOU 827 C16 NUT A 201 1746 1685 2029 121 -477 -301 C +HETATM 828 C15 NUT A 201 -25.935 12.921 -12.864 1.00 14.91 C +ANISOU 828 C15 NUT A 201 2076 1661 1926 -8 -572 -400 C +HETATM 829 CL NUT A 201 -26.417 14.360 -11.915 1.00 18.16 CL +ANISOU 829 CL NUT A 201 2319 1785 2796 87 -444 -559 CL +HETATM 830 C14 NUT A 201 -26.156 11.677 -12.254 1.00 13.49 C +ANISOU 830 C14 NUT A 201 2027 1627 1470 291 -592 -256 C +HETATM 831 C13 NUT A 201 -25.791 10.528 -13.019 1.00 12.86 C +ANISOU 831 C13 NUT A 201 1829 1532 1523 54 -281 -353 C +HETATM 832 S SO4 A 202 -30.284 -1.594 -12.096 0.50 13.77 S +ANISOU 832 S SO4 A 202 2066 1664 1500 -571 -724 -244 S +HETATM 833 O1 SO4 A 202 -29.183 -2.189 -12.837 0.50 13.11 O +ANISOU 833 O1 SO4 A 202 2167 1241 1572 -773 -655 -163 O +HETATM 834 O2 SO4 A 202 -30.937 -0.509 -12.871 0.50 15.40 O +ANISOU 834 O2 SO4 A 202 2040 2226 1583 -452 -582 -115 O +HETATM 835 O3 SO4 A 202 -31.363 -2.531 -11.808 0.50 15.67 O +ANISOU 835 O3 SO4 A 202 2349 1899 1704 -773 -568 -353 O +HETATM 836 O4 SO4 A 202 -29.767 -1.053 -10.801 0.50 13.42 O +ANISOU 836 O4 SO4 A 202 2223 1473 1404 -888 -243 -436 O +HETATM 837 O HOH A 301 -32.477 2.910 -5.224 1.00 34.51 O +ANISOU 837 O HOH A 301 4486 4141 4482 330 760 -432 O +HETATM 838 O HOH A 302 -21.073 31.489 -11.536 1.00 17.23 O +ANISOU 838 O HOH A 302 2331 1973 2242 246 -115 565 O +HETATM 839 O HOH A 303 -28.315 7.881 -0.260 1.00 24.61 O +ANISOU 839 O HOH A 303 3254 3068 3029 229 -334 -370 O +HETATM 840 O HOH A 304 -11.555 25.940 -2.675 1.00 28.19 O +ANISOU 840 O HOH A 304 3214 3249 4247 -1106 -1134 -149 O +HETATM 841 O HOH A 305 -29.730 21.101 -5.749 1.00 13.16 O +ANISOU 841 O HOH A 305 1698 1615 1686 247 -146 19 O +HETATM 842 O HOH A 306 -15.713 19.652 -0.782 1.00 19.66 O +ANISOU 842 O HOH A 306 2857 2045 2565 -43 -734 -32 O +HETATM 843 O HOH A 307 -28.500 8.768 -14.299 1.00 18.91 O +ANISOU 843 O HOH A 307 2708 1626 2851 -38 -666 -371 O +HETATM 844 O HOH A 308 -25.168 25.427 -10.621 1.00 20.24 O +ANISOU 844 O HOH A 308 2953 2788 1950 242 -140 432 O +HETATM 845 O HOH A 309 -24.587 17.719 -15.272 1.00 21.13 O +ANISOU 845 O HOH A 309 3302 2548 2176 332 -205 -129 O +HETATM 846 O HOH A 310 -10.766 7.760 -0.518 1.00 28.31 O +ANISOU 846 O HOH A 310 3027 3048 4678 474 3 374 O +HETATM 847 O HOH A 311 -21.141 15.566 -17.125 1.00 29.85 O +ANISOU 847 O HOH A 311 4655 3946 2740 601 -573 -627 O +HETATM 848 O HOH A 312 -32.148 17.707 -3.033 1.00 21.56 O +ANISOU 848 O HOH A 312 3184 2036 2970 171 573 444 O +HETATM 849 O HOH A 313 -33.466 13.652 -7.152 1.00 21.11 O +ANISOU 849 O HOH A 313 2858 1808 3353 -38 25 288 O +HETATM 850 O HOH A 314 -33.854 14.693 -10.011 1.00 24.60 O +ANISOU 850 O HOH A 314 2446 2846 4055 12 -924 -521 O +HETATM 851 O HOH A 315 -25.641 29.157 -17.112 1.00 21.89 O +ANISOU 851 O HOH A 315 2699 3067 2551 11 421 336 O +HETATM 852 O HOH A 316 -35.294 15.304 -5.786 1.00 31.04 O +ANISOU 852 O HOH A 316 3191 3700 4900 -583 -110 644 O +HETATM 853 O HOH A 317 -23.175 1.109 -9.778 1.00 21.96 O +ANISOU 853 O HOH A 317 3277 2345 2720 270 -685 -569 O +HETATM 854 O HOH A 318 -23.057 30.053 -17.657 1.00 26.24 O +ANISOU 854 O HOH A 318 3865 3131 2974 132 -339 -52 O +HETATM 855 O HOH A 319 -20.580 1.417 0.149 1.00 24.10 O +ANISOU 855 O HOH A 319 3595 2609 2953 -358 -84 -3 O +HETATM 856 O HOH A 320 -32.776 -2.086 -9.425 1.00 32.27 O +ANISOU 856 O HOH A 320 4096 4343 3822 -757 -687 252 O +HETATM 857 O HOH A 321 -18.055 28.753 1.475 1.00 30.35 O +ANISOU 857 O HOH A 321 4258 4469 2804 551 -1115 -867 O +HETATM 858 O HOH A 322 -24.190 27.223 -8.864 0.50 20.53 O +ANISOU 858 O HOH A 322 2901 2331 2569 966 -469 481 O +HETATM 859 O HOH A 323 -23.655 15.375 -16.466 1.00 30.01 O +ANISOU 859 O HOH A 323 4355 3220 3824 783 -395 -304 O +HETATM 860 O HOH A 324 -15.726 27.437 1.823 1.00 22.18 O +ANISOU 860 O HOH A 324 2856 2745 2823 332 -197 378 O +HETATM 861 O HOH A 325 -11.629 27.687 -0.731 1.00 31.77 O +ANISOU 861 O HOH A 325 3130 4321 4620 -1120 -691 -506 O +HETATM 862 O HOH A 326 -19.575 22.553 -19.244 1.00 29.51 O +ANISOU 862 O HOH A 326 4268 4320 2624 1442 -7 195 O +HETATM 863 O HOH A 327 -16.548 8.467 -17.045 1.00 29.99 O +ANISOU 863 O HOH A 327 3080 3840 4474 -446 388 -456 O +HETATM 864 O HOH A 328 -13.520 28.845 1.130 1.00 24.91 O +ANISOU 864 O HOH A 328 3190 2743 3532 -405 -547 300 O +HETATM 865 O HOH A 329 -29.349 15.197 -1.178 1.00 32.78 O +ANISOU 865 O HOH A 329 3447 3782 5224 600 -925 260 O +HETATM 866 O HOH A 330 -26.516 9.472 -18.351 1.00 50.31 O +ANISOU 866 O HOH A 330 7703 6308 5103 -2268 -1195 113 O +HETATM 867 O HOH A 331 -30.647 -5.141 -11.193 1.00 35.43 O +ANISOU 867 O HOH A 331 4688 3215 5558 -915 -290 -127 O +HETATM 868 O HOH A 332 -29.739 8.406 -3.351 1.00 27.45 O +ANISOU 868 O HOH A 332 2298 4883 3249 309 434 -1055 O +HETATM 869 O HOH A 333 -32.615 18.315 -0.267 1.00 40.52 O +ANISOU 869 O HOH A 333 6030 5079 4286 809 984 942 O +HETATM 870 O HOH A 334 -18.096 10.668 -16.231 1.00 28.49 O +ANISOU 870 O HOH A 334 4670 3043 3109 -513 -835 381 O +HETATM 871 O HOH A 335 -30.545 6.891 -14.699 1.00 32.51 O +ANISOU 871 O HOH A 335 3147 3196 6009 384 -1526 -1547 O +HETATM 872 O HOH A 336 -32.667 22.729 -19.999 1.00 32.53 O +ANISOU 872 O HOH A 336 5165 4550 2643 682 -1754 426 O +HETATM 873 O HOH A 337 -36.133 21.855 -13.565 1.00 36.13 O +ANISOU 873 O HOH A 337 3511 5815 4401 2099 -422 -56 O +HETATM 874 O HOH A 338 -25.569 6.744 -18.311 1.00 28.01 O +ANISOU 874 O HOH A 338 4979 2401 3261 323 -1845 -228 O +HETATM 875 O HOH A 339 -8.396 8.049 -13.855 1.00 45.37 O +ANISOU 875 O HOH A 339 6279 5767 5191 -176 269 737 O +HETATM 876 O HOH A 340 -11.431 25.079 -6.093 1.00 32.32 O +ANISOU 876 O HOH A 340 3236 5063 3982 -1468 -562 307 O +HETATM 877 O HOH A 341 -7.181 20.220 -2.867 1.00 34.57 O +ANISOU 877 O HOH A 341 3073 4558 5502 198 185 -899 O +HETATM 878 O HOH A 342 -10.004 4.919 -0.158 1.00 50.44 O +ANISOU 878 O HOH A 342 6204 6340 6621 2196 -2392 1278 O +HETATM 879 O HOH A 343 -28.809 4.090 -1.785 1.00 32.90 O +ANISOU 879 O HOH A 343 3638 4156 4706 446 461 61 O +HETATM 880 O HOH A 344 -19.231 12.823 6.366 1.00 38.00 O +ANISOU 880 O HOH A 344 6775 4104 3556 477 -935 -599 O +HETATM 881 O HOH A 345 -18.635 20.640 3.113 1.00 32.80 O +ANISOU 881 O HOH A 345 4129 4621 3711 -373 -1433 1375 O +HETATM 882 O HOH A 346 -6.907 23.177 -3.075 1.00 44.92 O +ANISOU 882 O HOH A 346 5646 6470 4950 -2097 -501 -1141 O +HETATM 883 O HOH A 347 -19.141 27.767 3.847 1.00 37.34 O +ANISOU 883 O HOH A 347 4472 6030 3685 791 -625 1201 O +HETATM 884 O HOH A 348 -33.594 5.970 -7.211 1.00 36.08 O +ANISOU 884 O HOH A 348 2695 5361 5652 -742 -828 132 O +HETATM 885 O HOH A 349 -10.363 27.585 -5.098 1.00 43.47 O +ANISOU 885 O HOH A 349 4280 7131 5104 -2901 -449 1161 O +HETATM 886 O HOH A 350 -34.526 17.065 -3.765 1.00 31.34 O +ANISOU 886 O HOH A 350 3530 4849 3528 643 55 949 O +HETATM 887 O HOH A 351 -4.764 16.656 -11.744 1.00 37.65 O +ANISOU 887 O HOH A 351 3139 5195 5969 280 850 1057 O +HETATM 888 O HOH A 352 -35.090 20.640 -16.307 1.00 45.52 O +ANISOU 888 O HOH A 352 6261 4255 6779 -1692 -1525 -1257 O +HETATM 889 O HOH A 353 -17.124 3.085 8.159 1.00 41.49 O +ANISOU 889 O HOH A 353 5672 2939 7153 -204 -119 273 O +HETATM 890 O HOH A 354 -9.405 20.379 -16.286 1.00 41.02 O +ANISOU 890 O HOH A 354 5177 4847 5559 2138 204 529 O +HETATM 891 O HOH A 355 -5.656 14.860 -5.856 1.00 33.90 O +ANISOU 891 O HOH A 355 2167 6295 4418 164 -615 -355 O +HETATM 892 O HOH A 356 -26.202 13.562 2.174 1.00 32.86 O +ANISOU 892 O HOH A 356 3848 4175 4461 -98 -330 -65 O +HETATM 893 O HOH A 357 -9.487 9.363 -2.837 1.00 50.15 O +ANISOU 893 O HOH A 357 5017 7900 6135 -1643 -2375 987 O +HETATM 894 O HOH A 358 -35.358 11.214 -10.602 1.00 44.53 O +ANISOU 894 O HOH A 358 3633 6404 6880 -514 -2074 943 O +HETATM 895 O HOH A 359 -8.196 30.056 -7.599 1.00 51.55 O +ANISOU 895 O HOH A 359 4893 8162 6530 65 -732 1587 O +HETATM 896 O HOH A 360 -14.907 25.644 -17.050 1.00 38.67 O +ANISOU 896 O HOH A 360 5754 4282 4656 -892 1807 146 O +HETATM 897 O HOH A 361 -12.914 3.235 -2.055 1.00 35.19 O +ANISOU 897 O HOH A 361 4926 2272 6169 -60 -1323 562 O +HETATM 898 O HOH A 362 -25.253 8.876 6.253 1.00 36.55 O +ANISOU 898 O HOH A 362 5874 4510 3500 -796 1144 951 O +HETATM 899 O HOH A 363 -25.946 21.223 -20.748 1.00 44.95 O +ANISOU 899 O HOH A 363 8190 4360 4528 1877 -1029 -1023 O +HETATM 900 O HOH A 364 -25.606 17.054 -19.586 1.00 40.98 O +ANISOU 900 O HOH A 364 6687 4890 3994 -338 881 -707 O +HETATM 901 O HOH A 365 -23.867 30.951 -20.265 1.00 35.64 O +ANISOU 901 O HOH A 365 5348 4417 3775 633 719 1477 O +HETATM 902 O HOH A 366 -28.624 10.318 -17.108 1.00 40.10 O +ANISOU 902 O HOH A 366 6442 5388 3403 -351 -612 160 O +HETATM 903 O HOH A 367 -12.852 26.938 -15.528 1.00 43.55 O +ANISOU 903 O HOH A 367 5331 7146 4069 1441 1120 2072 O +HETATM 904 O HOH A 368 -11.989 1.523 -4.406 1.00 43.79 O +ANISOU 904 O HOH A 368 5596 3926 7115 1259 -2019 236 O +HETATM 905 O HOH A 369 -14.333 31.475 0.830 1.00 41.82 O +ANISOU 905 O HOH A 369 5424 3955 6509 -205 -1349 -642 O +HETATM 906 O HOH A 370 -17.552 -0.429 3.606 1.00 31.84 O +ANISOU 906 O HOH A 370 4464 2747 4887 -610 -829 667 O +HETATM 907 O HOH A 371 -20.412 4.362 5.912 1.00 41.17 O +ANISOU 907 O HOH A 371 6177 4048 5415 -173 -1354 -536 O +HETATM 908 O HOH A 372 -26.340 29.195 -19.677 1.00 35.96 O +ANISOU 908 O HOH A 372 4199 5136 4327 -377 -399 1929 O +HETATM 909 O HOH A 373 -17.876 5.529 5.038 1.00 44.48 O +ANISOU 909 O HOH A 373 6818 5474 4606 -1898 617 612 O +HETATM 910 O HOH A 374 -21.545 22.939 3.207 1.00 41.09 O +ANISOU 910 O HOH A 374 4938 6995 3679 1452 -327 -494 O +HETATM 911 O HOH A 375 -5.155 12.598 -4.137 1.00 52.93 O +ANISOU 911 O HOH A 375 6583 7587 5940 3281 -1561 -924 O +HETATM 912 O HOH A 376 -17.868 17.741 -19.527 1.00 46.26 O +ANISOU 912 O HOH A 376 7174 5611 4788 -33 -1863 2064 O +HETATM 913 O HOH A 377 -28.507 12.243 0.628 1.00 40.62 O +ANISOU 913 O HOH A 377 4008 4380 7043 -1668 749 -199 O +HETATM 914 O HOH A 378 -27.323 5.256 2.086 1.00 47.28 O +ANISOU 914 O HOH A 378 4643 8949 4371 -803 -824 2245 O +HETATM 915 O HOH A 379 -17.274 8.900 -19.929 1.00 51.37 O +ANISOU 915 O HOH A 379 7306 7331 4881 1723 831 82 O +HETATM 916 O HOH A 380 -2.647 11.654 -9.621 1.00 55.85 O +ANISOU 916 O HOH A 380 6743 4122 10356 602 905 757 O +HETATM 917 O HOH A 381 -25.077 13.669 -17.976 1.00 39.69 O +ANISOU 917 O HOH A 381 5668 5157 4253 -1282 -1001 432 O +HETATM 918 O HOH A 382 -3.705 12.473 -7.178 1.00 45.41 O +ANISOU 918 O HOH A 382 5811 3921 7519 608 -1372 -1032 O +HETATM 919 O HOH A 383 -20.580 28.794 -18.996 1.00 45.56 O +ANISOU 919 O HOH A 383 4571 8522 4217 -800 1309 -68 O +HETATM 920 O HOH A 384 -19.057 19.993 -20.347 1.00 45.70 O +ANISOU 920 O HOH A 384 6703 6822 3837 324 276 346 O +HETATM 921 O HOH A 385 -1.397 17.273 -19.788 1.00 53.73 O +ANISOU 921 O HOH A 385 9236 5997 5181 416 934 -1182 O +HETATM 922 O HOH A 386 -9.113 1.683 -2.526 1.00 53.38 O +ANISOU 922 O HOH A 386 7689 5315 7277 2133 -428 -1107 O +HETATM 923 O HOH A 387 -20.995 26.561 -20.478 1.00 43.70 O +ANISOU 923 O HOH A 387 5654 6354 4594 -939 861 -1520 O +HETATM 924 O HOH A 388 -0.317 19.473 -18.228 1.00 53.87 O +ANISOU 924 O HOH A 388 6532 7955 5978 1373 -209 849 O +HETATM 925 O HOH A 389 -15.864 2.562 -1.345 1.00 44.97 O +ANISOU 925 O HOH A 389 5124 6041 5921 -373 274 75 O +HETATM 926 O HOH A 390 -28.675 10.316 -1.608 1.00 33.55 O +ANISOU 926 O HOH A 390 5853 2668 4226 -485 -818 -806 O +HETATM 927 O HOH A 391 -29.290 15.834 -15.443 1.00 27.18 O +ANISOU 927 O HOH A 391 4908 1291 4125 903 149 -9 O +HETATM 928 O HOH A 392 -31.944 26.199 -19.260 1.00 26.05 O +ANISOU 928 O HOH A 392 2370 3523 4002 -586 687 -883 O +HETATM 929 O HOH A 393 -34.565 20.536 -11.717 1.00 22.82 O +ANISOU 929 O HOH A 393 2879 2967 2823 -567 -808 250 O +HETATM 930 O HOH A 394 -27.648 -1.487 -1.526 1.00 32.57 O +ANISOU 930 O HOH A 394 4992 4124 3257 -1093 64 -274 O +HETATM 931 O HOH A 395 -35.145 17.242 -10.864 1.00 41.48 O +ANISOU 931 O HOH A 395 4900 5597 5260 1494 -2590 -732 O +HETATM 932 O HOH A 396 -27.525 14.406 -16.717 1.00 41.22 O +ANISOU 932 O HOH A 396 3889 7188 4582 911 98 -88 O +HETATM 933 O HOH A 397 -8.370 11.218 -4.198 1.00 51.28 O +ANISOU 933 O HOH A 397 4047 7790 7648 1053 126 122 O +CONECT 792 793 +CONECT 793 792 794 801 +CONECT 794 793 795 800 +CONECT 795 794 796 +CONECT 796 795 797 798 +CONECT 797 796 +CONECT 798 796 799 +CONECT 799 798 800 +CONECT 800 794 799 +CONECT 801 793 802 815 +CONECT 802 801 803 824 +CONECT 803 802 804 806 +CONECT 804 803 805 +CONECT 805 804 812 +CONECT 806 803 807 811 +CONECT 807 806 808 +CONECT 808 807 809 810 +CONECT 809 808 +CONECT 810 808 +CONECT 811 806 812 +CONECT 812 805 811 813 +CONECT 813 812 814 +CONECT 814 813 +CONECT 815 801 816 823 +CONECT 816 815 817 822 +CONECT 817 816 818 +CONECT 818 817 819 +CONECT 819 818 820 821 +CONECT 820 819 +CONECT 821 819 822 +CONECT 822 816 821 +CONECT 823 815 824 825 +CONECT 824 802 823 +CONECT 825 823 826 831 +CONECT 826 825 827 +CONECT 827 826 828 +CONECT 828 827 829 830 +CONECT 829 828 +CONECT 830 828 831 +CONECT 831 825 830 +CONECT 832 833 834 835 836 +CONECT 833 832 +CONECT 834 832 +CONECT 835 832 +CONECT 836 832 +MASTER 308 0 2 5 4 0 7 6 886 1 45 8 +END diff --git a/data/targets/large_benchmark/mdm2_4hg7.pdb b/data/targets/large_benchmark/mdm2_4hg7.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f48dbd46fd17a856f7d5cdd32b471ebd413f7567 --- /dev/null +++ b/data/targets/large_benchmark/mdm2_4hg7.pdb @@ -0,0 +1,2303 @@ +HEADER LIGASE 07-OCT-12 4HG7 +TITLE CRYSTAL STRUCTURE OF AN MDM2/NUTLIN-3A COMPLEX +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: E3 UBIQUITIN-PROTEIN LIGASE MDM2; +COMPND 3 CHAIN: A; +COMPND 4 FRAGMENT: P53 BINDING DOMAIN (RESIDUES 17-125); +COMPND 5 SYNONYM: DOUBLE MINUTE 2 PROTEIN, HDM2, ONCOPROTEIN MDM2, P53-BINDING +COMPND 6 PROTEIN MDM2; +COMPND 7 EC: 6.3.2.-; +COMPND 8 ENGINEERED: YES; +COMPND 9 MUTATION: YES +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; +SOURCE 3 ORGANISM_COMMON: HUMAN; +SOURCE 4 ORGANISM_TAXID: 9606; +SOURCE 5 GENE: MDM2; +SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; +SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; +SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3); +SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; +SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PGEX6P1 +KEYWDS MDM2, NUTLIN-3A, SURFACE ENTROPY REDUCTION, MUTANT VALIDATION, LIGASE +EXPDTA X-RAY DIFFRACTION +AUTHOR M.E.M.NOBLE,B.ANIL,C.RIEDINGER,J.A.ENDICOTT +REVDAT 3 28-FEB-24 4HG7 1 REMARK SEQADV +REVDAT 2 21-AUG-13 4HG7 1 JRNL +REVDAT 1 31-JUL-13 4HG7 0 +JRNL AUTH B.ANIL,C.RIEDINGER,J.A.ENDICOTT,M.E.NOBLE +JRNL TITL THE STRUCTURE OF AN MDM2-NUTLIN-3A COMPLEX SOLVED BY THE USE +JRNL TITL 2 OF A VALIDATED MDM2 SURFACE-ENTROPY REDUCTION MUTANT. +JRNL REF ACTA CRYSTALLOGR.,SECT.D V. 69 1358 2013 +JRNL REFN ISSN 0907-4449 +JRNL PMID 23897459 +JRNL DOI 10.1107/S0907444913004459 +REMARK 2 +REMARK 2 RESOLUTION. 1.60 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : REFMAC 5.6.0117 +REMARK 3 AUTHORS : MURSHUDOV,SKUBAK,LEBEDEV,PANNU,STEINER, +REMARK 3 : NICHOLLS,WINN,LONG,VAGIN +REMARK 3 +REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.60 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 30.94 +REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.200 +REMARK 3 COMPLETENESS FOR RANGE (%) : 98.8 +REMARK 3 NUMBER OF REFLECTIONS : 20070 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT +REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM +REMARK 3 R VALUE (WORKING + TEST SET) : 0.176 +REMARK 3 R VALUE (WORKING SET) : 0.173 +REMARK 3 FREE R VALUE : 0.215 +REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 +REMARK 3 FREE R VALUE TEST SET COUNT : 1065 +REMARK 3 +REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. +REMARK 3 TOTAL NUMBER OF BINS USED : 20 +REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.60 +REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.64 +REMARK 3 REFLECTION IN BIN (WORKING SET) : 1299 +REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 98.84 +REMARK 3 BIN R VALUE (WORKING SET) : 0.2360 +REMARK 3 BIN FREE R VALUE SET COUNT : 61 +REMARK 3 BIN FREE R VALUE : 0.3060 +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 744 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 45 +REMARK 3 SOLVENT ATOMS : 97 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : NULL +REMARK 3 MEAN B VALUE (OVERALL, A**2) : 21.61 +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : -0.55000 +REMARK 3 B22 (A**2) : -0.55000 +REMARK 3 B33 (A**2) : 0.83000 +REMARK 3 B12 (A**2) : -0.28000 +REMARK 3 B13 (A**2) : 0.00000 +REMARK 3 B23 (A**2) : 0.00000 +REMARK 3 +REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. +REMARK 3 ESU BASED ON R VALUE (A): 0.081 +REMARK 3 ESU BASED ON FREE R VALUE (A): 0.076 +REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.043 +REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 2.668 +REMARK 3 +REMARK 3 CORRELATION COEFFICIENTS. +REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.955 +REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.934 +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT +REMARK 3 BOND LENGTHS REFINED ATOMS (A): 862 ; 0.014 ; 0.020 +REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL +REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 1181 ; 1.596 ; 2.063 +REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL +REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 108 ; 5.039 ; 5.000 +REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 35 ;41.647 ;24.286 +REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 165 ;12.277 ;15.000 +REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 4 ;16.794 ;15.000 +REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 132 ; 0.085 ; 0.200 +REMARK 3 GENERAL PLANES REFINED ATOMS (A): 646 ; 0.011 ; 0.021 +REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL +REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL +REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL +REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL +REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY VDW REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL +REMARK 3 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT +REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 LONG RANGE B REFINED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 LONG RANGE B OTHER ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 +REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT +REMARK 3 RIGID-BOND RESTRAINTS (A**2): 861 ; 4.481 ; 3.000 +REMARK 3 SPHERICITY; FREE ATOMS (A**2): 47 ;28.475 ; 5.000 +REMARK 3 SPHERICITY; BONDED ATOMS (A**2): 894 ;13.951 ; 5.000 +REMARK 3 +REMARK 3 NCS RESTRAINTS STATISTICS +REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL +REMARK 3 +REMARK 3 TLS DETAILS +REMARK 3 NUMBER OF TLS GROUPS : NULL +REMARK 3 +REMARK 3 BULK SOLVENT MODELLING. +REMARK 3 METHOD USED : MASK +REMARK 3 PARAMETERS FOR MASK CALCULATION +REMARK 3 VDW PROBE RADIUS : 1.20 +REMARK 3 ION PROBE RADIUS : 0.80 +REMARK 3 SHRINKAGE RADIUS : 0.80 +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN USED IF PRESENT IN +REMARK 3 THE INPUT +REMARK 4 +REMARK 4 4HG7 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 12-OCT-12. +REMARK 100 THE DEPOSITION ID IS D_1000075426. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : 26-NOV-10 +REMARK 200 TEMPERATURE (KELVIN) : 298 +REMARK 200 PH : 5.6 +REMARK 200 NUMBER OF CRYSTALS USED : 1 +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : Y +REMARK 200 RADIATION SOURCE : ESRF +REMARK 200 BEAMLINE : ID23-2 +REMARK 200 X-RAY GENERATOR MODEL : NULL +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 0.8726 +REMARK 200 MONOCHROMATOR : SI 111 CHANNEL +REMARK 200 OPTICS : NULL +REMARK 200 +REMARK 200 DETECTOR TYPE : CCD +REMARK 200 DETECTOR MANUFACTURER : MARMOSAIC 225 MM CCD +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS +REMARK 200 DATA SCALING SOFTWARE : XDS, SCALA +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 21274 +REMARK 200 RESOLUTION RANGE HIGH (A) : 1.600 +REMARK 200 RESOLUTION RANGE LOW (A) : 33.790 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 2.000 +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 99.5 +REMARK 200 DATA REDUNDANCY : NULL +REMARK 200 R MERGE (I) : NULL +REMARK 200 R SYM (I) : NULL +REMARK 200 FOR THE DATA SET : NULL +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.60 +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.69 +REMARK 200 COMPLETENESS FOR SHELL (%) : 99.5 +REMARK 200 DATA REDUNDANCY IN SHELL : NULL +REMARK 200 R MERGE FOR SHELL (I) : NULL +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 FOR SHELL : NULL +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT +REMARK 200 SOFTWARE USED: PHASER +REMARK 200 STARTING MODEL: NULL +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 64.50 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.46 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: 0.5 M AMMONIUM SULFATE, 0.1 M SODIUM +REMARK 280 CITRATE, 1.0 M LITHIUM SULFATE, PH 5.6, VAPOR DIFFUSION, SITTING +REMARK 280 DROP, TEMPERATURE 277K +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 65 2 2 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -Y,X-Y,Z+2/3 +REMARK 290 3555 -X+Y,-X,Z+1/3 +REMARK 290 4555 -X,-Y,Z+1/2 +REMARK 290 5555 Y,-X+Y,Z+1/6 +REMARK 290 6555 X-Y,X,Z+5/6 +REMARK 290 7555 Y,X,-Z+2/3 +REMARK 290 8555 X-Y,-Y,-Z +REMARK 290 9555 -X,-X+Y,-Z+1/3 +REMARK 290 10555 -Y,-X,-Z+1/6 +REMARK 290 11555 -X+Y,Y,-Z+1/2 +REMARK 290 12555 X,X-Y,-Z+5/6 +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 69.46933 +REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 34.73467 +REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 52.10200 +REMARK 290 SMTRY1 5 0.500000 0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 5 -0.866025 0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 17.36733 +REMARK 290 SMTRY1 6 0.500000 -0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 6 0.866025 0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 86.83667 +REMARK 290 SMTRY1 7 -0.500000 0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 7 0.866025 0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 69.46933 +REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 SMTRY1 9 -0.500000 -0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 9 -0.866025 0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 9 0.000000 0.000000 -1.000000 34.73467 +REMARK 290 SMTRY1 10 0.500000 -0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 10 -0.866025 -0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 10 0.000000 0.000000 -1.000000 17.36733 +REMARK 290 SMTRY1 11 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 11 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 11 0.000000 0.000000 -1.000000 52.10200 +REMARK 290 SMTRY1 12 0.500000 0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 12 0.866025 -0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 12 0.000000 0.000000 -1.000000 86.83667 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1, 2 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 +REMARK 350 BIOMOLECULE: 2 +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 1170 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 10140 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -9.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 BIOMT1 2 0.500000 0.866025 0.000000 -35.72500 +REMARK 350 BIOMT2 2 0.866025 -0.500000 0.000000 61.87752 +REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 -17.36733 +REMARK 465 +REMARK 465 MISSING RESIDUES +REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE +REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) +REMARK 465 +REMARK 465 M RES C SSSEQI +REMARK 465 GLY A 12 +REMARK 465 PRO A 13 +REMARK 465 LEU A 14 +REMARK 465 GLY A 15 +REMARK 465 SER A 16 +REMARK 465 SER A 17 +REMARK 800 +REMARK 800 SITE +REMARK 800 SITE_IDENTIFIER: AC1 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NUT A 201 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC2 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 202 +REMARK 900 +REMARK 900 RELATED ENTRIES +REMARK 900 RELATED ID: 4HFZ RELATED DB: PDB +REMARK 900 STRUCTURE SOLVED USING THE SAME SURFACE MUTATIONS OF THE SAME +REMARK 900 CONSTRUCT +DBREF 4HG7 A 17 108 UNP Q00987 MDM2_HUMAN 17 108 +SEQADV 4HG7 GLY A 12 UNP Q00987 EXPRESSION TAG +SEQADV 4HG7 PRO A 13 UNP Q00987 EXPRESSION TAG +SEQADV 4HG7 LEU A 14 UNP Q00987 EXPRESSION TAG +SEQADV 4HG7 GLY A 15 UNP Q00987 EXPRESSION TAG +SEQADV 4HG7 SER A 16 UNP Q00987 EXPRESSION TAG +SEQADV 4HG7 ALA A 69 UNP Q00987 GLU 69 ENGINEERED MUTATION +SEQADV 4HG7 ALA A 70 UNP Q00987 LYS 70 ENGINEERED MUTATION +SEQRES 1 A 97 GLY PRO LEU GLY SER SER GLN ILE PRO ALA SER GLU GLN +SEQRES 2 A 97 GLU THR LEU VAL ARG PRO LYS PRO LEU LEU LEU LYS LEU +SEQRES 3 A 97 LEU LYS SER VAL GLY ALA GLN LYS ASP THR TYR THR MET +SEQRES 4 A 97 LYS GLU VAL LEU PHE TYR LEU GLY GLN TYR ILE MET THR +SEQRES 5 A 97 LYS ARG LEU TYR ASP ALA ALA GLN GLN HIS ILE VAL TYR +SEQRES 6 A 97 CYS SER ASN ASP LEU LEU GLY ASP LEU PHE GLY VAL PRO +SEQRES 7 A 97 SER PHE SER VAL LYS GLU HIS ARG LYS ILE TYR THR MET +SEQRES 8 A 97 ILE TYR ARG ASN LEU VAL +HET NUT A 201 40 +HET SO4 A 202 5 +HETNAM NUT 4-({(4S,5R)-4,5-BIS(4-CHLOROPHENYL)-2-[4-METHOXY-2- +HETNAM 2 NUT (PROPAN-2-YLOXY)PHENYL]-4,5-DIHYDRO-1H-IMIDAZOL-1- +HETNAM 3 NUT YL}CARBONYL)PIPERAZIN-2-ONE +HETNAM SO4 SULFATE ION +HETSYN NUT NUTLIN 3A +FORMUL 2 NUT C30 H30 CL2 N4 O4 +FORMUL 3 SO4 O4 S 2- +FORMUL 4 HOH *97(H2 O) +HELIX 1 1 PRO A 20 GLU A 25 1 6 +HELIX 2 2 LYS A 31 VAL A 41 1 11 +HELIX 3 3 MET A 50 LYS A 64 1 15 +HELIX 4 4 ASP A 80 GLY A 87 1 8 +HELIX 5 5 GLU A 95 ARG A 105 1 11 +SHEET 1 A 2 LEU A 27 VAL A 28 0 +SHEET 2 A 2 TYR A 48 THR A 49 -1 O TYR A 48 N VAL A 28 +SHEET 1 B 2 ILE A 74 TYR A 76 0 +SHEET 2 B 2 SER A 90 SER A 92 -1 O PHE A 91 N VAL A 75 +SITE 1 AC1 14 PRO A 32 LEU A 54 LEU A 57 GLY A 58 +SITE 2 AC1 14 ILE A 61 MET A 62 GLN A 72 HIS A 73 +SITE 3 AC1 14 VAL A 93 HIS A 96 SO4 A 202 HOH A 307 +SITE 4 AC1 14 HOH A 327 HOH A 338 +SITE 1 AC2 9 LYS A 31 GLN A 71 GLN A 72 HIS A 73 +SITE 2 AC2 9 NUT A 201 HOH A 320 HOH A 324 HOH A 331 +SITE 3 AC2 9 HOH A 347 +CRYST1 71.450 71.450 104.204 90.00 90.00 120.00 P 65 2 2 12 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.013996 0.008080 0.000000 0.00000 +SCALE2 0.000000 0.016161 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.009597 0.00000 +ATOM 1 N GLN A 18 -33.251 16.116 -16.144 1.00 26.63 N +ANISOU 1 N GLN A 18 4640 2822 2656 -316 -1400 183 N +ATOM 2 CA GLN A 18 -33.744 16.395 -14.779 1.00 22.76 C +ANISOU 2 CA GLN A 18 3338 2405 2903 -275 -1288 305 C +ATOM 3 C GLN A 18 -33.202 17.722 -14.291 1.00 22.08 C +ANISOU 3 C GLN A 18 2621 2319 3449 -200 -497 -1 C +ATOM 4 O GLN A 18 -33.766 18.329 -13.368 1.00 24.13 O +ANISOU 4 O GLN A 18 2690 2483 3994 -237 -356 -205 O +ATOM 5 CB GLN A 18 -33.223 15.314 -13.819 1.00 21.88 C +ANISOU 5 CB GLN A 18 3432 1792 3088 -340 -1412 170 C +ATOM 6 CG GLN A 18 -33.750 13.922 -14.126 1.00 22.46 C +ANISOU 6 CG GLN A 18 3459 2103 2971 -580 -1541 -52 C +ATOM 7 CD GLN A 18 -33.207 12.844 -13.217 1.00 25.20 C +ANISOU 7 CD GLN A 18 3273 3187 3115 454 -1263 -53 C +ATOM 8 OE1 GLN A 18 -32.919 11.702 -13.662 1.00 29.66 O +ANISOU 8 OE1 GLN A 18 3349 3370 4550 232 -747 -698 O +ATOM 9 NE2 GLN A 18 -33.110 13.159 -11.948 1.00 17.15 N +ANISOU 9 NE2 GLN A 18 1933 1583 2999 -115 -781 -35 N +ATOM 10 N ILE A 19 -32.048 18.114 -14.839 1.00 17.77 N +ANISOU 10 N ILE A 19 2530 1935 2285 -338 -734 207 N +ATOM 11 CA ILE A 19 -31.388 19.371 -14.398 1.00 15.09 C +ANISOU 11 CA ILE A 19 2131 1737 1863 74 -659 62 C +ATOM 12 C ILE A 19 -31.360 20.363 -15.568 1.00 15.53 C +ANISOU 12 C ILE A 19 2361 1674 1864 182 -752 47 C +ATOM 13 O ILE A 19 -30.874 20.015 -16.645 1.00 17.20 O +ANISOU 13 O ILE A 19 2406 2015 2113 362 -660 -123 O +ATOM 14 CB ILE A 19 -29.940 19.163 -13.897 1.00 14.39 C +ANISOU 14 CB ILE A 19 2047 1801 1618 329 -410 228 C +ATOM 15 CG1 ILE A 19 -29.853 18.064 -12.782 1.00 12.77 C +ANISOU 15 CG1 ILE A 19 1935 1683 1231 127 -401 18 C +ATOM 16 CG2 ILE A 19 -29.332 20.499 -13.400 1.00 16.71 C +ANISOU 16 CG2 ILE A 19 1954 2286 2110 227 -202 -216 C +ATOM 17 CD1 ILE A 19 -30.565 18.411 -11.459 1.00 14.95 C +ANISOU 17 CD1 ILE A 19 2162 1975 1541 37 -134 -328 C +ATOM 18 N PRO A 20 -31.850 21.618 -15.350 1.00 15.79 N +ANISOU 18 N PRO A 20 2330 1730 1938 260 -608 14 N +ATOM 19 CA PRO A 20 -31.833 22.555 -16.472 1.00 16.93 C +ANISOU 19 CA PRO A 20 2676 1398 2358 320 -866 -67 C +ATOM 20 C PRO A 20 -30.406 22.832 -17.002 1.00 16.79 C +ANISOU 20 C PRO A 20 2548 1866 1964 138 -1057 145 C +ATOM 21 O PRO A 20 -29.440 22.933 -16.233 1.00 14.85 O +ANISOU 21 O PRO A 20 2305 1747 1591 299 -940 112 O +ATOM 22 CB PRO A 20 -32.480 23.840 -15.887 1.00 18.84 C +ANISOU 22 CB PRO A 20 2717 1295 3145 420 -428 91 C +ATOM 23 CG PRO A 20 -33.228 23.392 -14.660 1.00 21.77 C +ANISOU 23 CG PRO A 20 3463 2238 2569 951 -776 325 C +ATOM 24 CD PRO A 20 -32.571 22.141 -14.171 1.00 17.00 C +ANISOU 24 CD PRO A 20 2395 1895 2169 578 -544 157 C +ATOM 25 N ALA A 21 -30.285 22.997 -18.307 1.00 18.79 N +ANISOU 25 N ALA A 21 2905 2213 2022 250 -396 -137 N +ATOM 26 CA ALA A 21 -28.996 23.235 -18.942 1.00 18.45 C +ANISOU 26 CA ALA A 21 2932 2470 1605 -75 -384 67 C +ATOM 27 C ALA A 21 -28.269 24.431 -18.361 1.00 16.30 C +ANISOU 27 C ALA A 21 2630 1811 1750 274 -555 348 C +ATOM 28 O ALA A 21 -27.044 24.367 -18.157 1.00 17.22 O +ANISOU 28 O ALA A 21 2657 2174 1712 398 -620 64 O +ATOM 29 CB ALA A 21 -29.182 23.417 -20.449 1.00 21.78 C +ANISOU 29 CB ALA A 21 3815 2638 1820 308 -1291 -25 C +ATOM 30 N SER A 22 -28.998 25.516 -18.059 1.00 15.80 N +ANISOU 30 N SER A 22 2616 1886 1500 210 -835 148 N +ATOM 31 CA ASER A 22 -28.345 26.723 -17.527 0.80 15.69 C +ANISOU 31 CA ASER A 22 2635 1811 1516 415 -676 -30 C +ATOM 32 CA BSER A 22 -28.340 26.708 -17.516 0.20 15.19 C +ANISOU 32 CA BSER A 22 2460 1748 1563 299 -655 159 C +ATOM 33 C SER A 22 -27.637 26.438 -16.184 1.00 14.66 C +ANISOU 33 C SER A 22 2235 1760 1573 186 -587 265 C +ATOM 34 O SER A 22 -26.570 26.985 -15.905 1.00 15.22 O +ANISOU 34 O SER A 22 2118 1875 1790 210 -331 80 O +ATOM 35 CB ASER A 22 -29.349 27.885 -17.393 0.80 18.00 C +ANISOU 35 CB ASER A 22 2303 2321 2215 657 -523 449 C +ATOM 36 CB BSER A 22 -29.339 27.848 -17.370 0.20 15.24 C +ANISOU 36 CB BSER A 22 2316 1870 1603 397 -782 534 C +ATOM 37 OG ASER A 22 -30.358 27.609 -16.431 0.80 19.75 O +ANISOU 37 OG ASER A 22 2193 2306 3005 85 -402 427 O +ATOM 38 OG BSER A 22 -29.824 28.215 -18.642 0.20 15.16 O +ANISOU 38 OG BSER A 22 2227 1701 1831 446 -923 671 O +ATOM 39 N GLU A 23 -28.238 25.588 -15.365 1.00 13.27 N +ANISOU 39 N GLU A 23 2096 1531 1415 257 -548 46 N +ATOM 40 CA GLU A 23 -27.706 25.250 -14.063 1.00 11.57 C +ANISOU 40 CA GLU A 23 1771 1462 1163 353 -149 43 C +ATOM 41 C GLU A 23 -26.448 24.374 -14.226 1.00 12.43 C +ANISOU 41 C GLU A 23 1836 1591 1293 464 -281 -52 C +ATOM 42 O GLU A 23 -25.468 24.556 -13.499 1.00 14.56 O +ANISOU 42 O GLU A 23 1996 1841 1695 306 -436 240 O +ATOM 43 CB GLU A 23 -28.777 24.514 -13.238 1.00 12.59 C +ANISOU 43 CB GLU A 23 1860 1612 1309 214 -341 235 C +ATOM 44 CG GLU A 23 -28.287 24.177 -11.848 1.00 12.34 C +ANISOU 44 CG GLU A 23 1650 1493 1543 353 -578 286 C +ATOM 45 CD GLU A 23 -29.328 23.506 -10.983 1.00 13.98 C +ANISOU 45 CD GLU A 23 1851 1683 1775 365 -351 197 C +ATOM 46 OE1 GLU A 23 -30.501 23.358 -11.410 1.00 13.47 O +ANISOU 46 OE1 GLU A 23 1999 1782 1336 288 -445 222 O +ATOM 47 OE2 GLU A 23 -28.941 23.116 -9.853 1.00 13.93 O +ANISOU 47 OE2 GLU A 23 2487 1486 1320 427 -150 -209 O +ATOM 48 N GLN A 24 -26.479 23.471 -15.221 1.00 12.50 N +ANISOU 48 N GLN A 24 1584 1550 1615 226 -493 -215 N +ATOM 49 CA GLN A 24 -25.328 22.600 -15.501 1.00 13.66 C +ANISOU 49 CA GLN A 24 1791 1652 1745 283 -194 -182 C +ATOM 50 C GLN A 24 -24.129 23.416 -15.972 1.00 14.42 C +ANISOU 50 C GLN A 24 2127 1758 1593 247 -210 325 C +ATOM 51 O GLN A 24 -22.978 23.016 -15.766 1.00 15.26 O +ANISOU 51 O GLN A 24 2034 2152 1609 90 -218 204 O +ATOM 52 CB GLN A 24 -25.670 21.566 -16.587 1.00 14.10 C +ANISOU 52 CB GLN A 24 1895 1713 1747 132 25 -311 C +ATOM 53 CG GLN A 24 -26.841 20.662 -16.210 1.00 14.46 C +ANISOU 53 CG GLN A 24 2188 1596 1710 -162 -226 -61 C +ATOM 54 CD GLN A 24 -27.020 19.503 -17.177 1.00 18.58 C +ANISOU 54 CD GLN A 24 2896 2075 2085 -166 -348 -473 C +ATOM 55 OE1 GLN A 24 -26.041 18.835 -17.539 1.00 22.28 O +ANISOU 55 OE1 GLN A 24 3360 2345 2757 335 -464 -571 O +ATOM 56 NE2 GLN A 24 -28.266 19.248 -17.603 1.00 19.87 N +ANISOU 56 NE2 GLN A 24 3143 2237 2169 121 -820 -43 N +ATOM 57 N GLU A 25 -24.411 24.544 -16.624 1.00 14.67 N +ANISOU 57 N GLU A 25 2350 1814 1406 126 -397 307 N +ATOM 58 CA AGLU A 25 -23.328 25.316 -17.231 0.50 15.24 C +ANISOU 58 CA AGLU A 25 2618 1938 1233 143 -283 578 C +ATOM 59 CA BGLU A 25 -23.390 25.367 -17.271 0.50 15.29 C +ANISOU 59 CA BGLU A 25 2542 1946 1320 149 -363 555 C +ATOM 60 C GLU A 25 -22.832 26.463 -16.361 1.00 14.84 C +ANISOU 60 C GLU A 25 2312 1986 1338 370 -461 433 C +ATOM 61 O GLU A 25 -22.020 27.266 -16.793 1.00 21.60 O +ANISOU 61 O GLU A 25 3235 2514 2457 -118 -166 453 O +ATOM 62 CB AGLU A 25 -23.710 25.812 -18.634 0.50 16.61 C +ANISOU 62 CB AGLU A 25 2822 2281 1206 470 -336 474 C +ATOM 63 CB BGLU A 25 -23.934 25.982 -18.586 0.50 17.56 C +ANISOU 63 CB BGLU A 25 2931 2446 1291 58 -572 535 C +ATOM 64 CG AGLU A 25 -23.992 24.696 -19.628 0.50 22.33 C +ANISOU 64 CG AGLU A 25 3403 2803 2278 208 -378 -214 C +ATOM 65 CG BGLU A 25 -24.340 24.954 -19.636 0.50 21.22 C +ANISOU 65 CG BGLU A 25 3052 3438 1572 220 -1391 130 C +ATOM 66 CD AGLU A 25 -22.764 23.851 -19.922 0.50 21.72 C +ANISOU 66 CD AGLU A 25 3929 3237 1087 746 -361 -13 C +ATOM 67 CD BGLU A 25 -25.021 25.525 -20.879 0.50 26.01 C +ANISOU 67 CD BGLU A 25 3651 3640 2591 1145 -1344 203 C +ATOM 68 OE1AGLU A 25 -22.915 22.672 -20.297 0.50 30.23 O +ANISOU 68 OE1AGLU A 25 5597 3249 2639 543 -127 -348 O +ATOM 69 OE1BGLU A 25 -25.758 26.538 -20.824 0.50 27.52 O +ANISOU 69 OE1BGLU A 25 3838 3314 3304 1529 -879 1017 O +ATOM 70 OE2AGLU A 25 -21.642 24.363 -19.781 0.50 25.51 O +ANISOU 70 OE2AGLU A 25 3740 3979 1971 983 -71 -74 O +ATOM 71 OE2BGLU A 25 -24.842 24.920 -21.950 0.50 39.48 O +ANISOU 71 OE2BGLU A 25 5766 5705 3530 283 55 -1047 O +ATOM 72 N THR A 26 -23.281 26.509 -15.104 1.00 14.27 N +ANISOU 72 N THR A 26 2117 1823 1480 364 -543 171 N +ATOM 73 CA THR A 26 -22.842 27.558 -14.172 1.00 15.62 C +ANISOU 73 CA THR A 26 2160 1926 1849 165 -569 51 C +ATOM 74 C THR A 26 -21.462 27.224 -13.603 1.00 15.85 C +ANISOU 74 C THR A 26 2243 2018 1759 139 -516 219 C +ATOM 75 O THR A 26 -21.225 26.077 -13.205 1.00 15.10 O +ANISOU 75 O THR A 26 2039 1641 2057 -38 -339 96 O +ATOM 76 CB THR A 26 -23.883 27.687 -13.037 1.00 16.30 C +ANISOU 76 CB THR A 26 2216 2042 1934 271 -461 -87 C +ATOM 77 OG1 THR A 26 -25.091 28.192 -13.629 1.00 21.42 O +ANISOU 77 OG1 THR A 26 2551 2646 2940 360 -1031 -377 O +ATOM 78 CG2 THR A 26 -23.447 28.670 -11.975 1.00 17.75 C +ANISOU 78 CG2 THR A 26 2486 2193 2063 -226 -285 66 C +ATOM 79 N LEU A 27 -20.570 28.218 -13.588 1.00 15.17 N +ANISOU 79 N LEU A 27 1898 2232 1631 55 -479 130 N +ATOM 80 CA LEU A 27 -19.212 28.063 -13.030 1.00 14.25 C +ANISOU 80 CA LEU A 27 1936 1711 1766 -65 -482 578 C +ATOM 81 C LEU A 27 -19.252 28.024 -11.506 1.00 15.15 C +ANISOU 81 C LEU A 27 2201 1738 1815 125 -550 272 C +ATOM 82 O LEU A 27 -19.839 28.918 -10.873 1.00 15.64 O +ANISOU 82 O LEU A 27 2210 2017 1713 235 -442 373 O +ATOM 83 CB LEU A 27 -18.283 29.193 -13.512 1.00 16.16 C +ANISOU 83 CB LEU A 27 2037 1993 2108 -167 -296 672 C +ATOM 84 CG LEU A 27 -16.777 28.995 -13.263 1.00 19.41 C +ANISOU 84 CG LEU A 27 2214 2139 3022 -159 -394 315 C +ATOM 85 CD1 LEU A 27 -16.222 27.959 -14.241 1.00 21.37 C +ANISOU 85 CD1 LEU A 27 2366 2303 3450 634 -154 453 C +ATOM 86 CD2 LEU A 27 -16.050 30.325 -13.415 1.00 23.69 C +ANISOU 86 CD2 LEU A 27 2612 2629 3757 -541 -142 519 C +ATOM 87 N VAL A 28 -18.608 27.015 -10.910 1.00 14.49 N +ANISOU 87 N VAL A 28 2193 1493 1819 -160 -563 307 N +ATOM 88 CA VAL A 28 -18.543 26.887 -9.458 1.00 15.32 C +ANISOU 88 CA VAL A 28 2067 1758 1995 -378 -533 532 C +ATOM 89 C VAL A 28 -17.112 26.638 -8.995 1.00 15.78 C +ANISOU 89 C VAL A 28 2190 1754 2051 -188 -661 175 C +ATOM 90 O VAL A 28 -16.222 26.321 -9.811 1.00 15.89 O +ANISOU 90 O VAL A 28 2005 1809 2223 -39 -551 473 O +ATOM 91 CB VAL A 28 -19.461 25.735 -8.965 1.00 13.82 C +ANISOU 91 CB VAL A 28 1736 1714 1801 -136 -424 610 C +ATOM 92 CG1 VAL A 28 -20.934 26.068 -9.313 1.00 17.35 C +ANISOU 92 CG1 VAL A 28 1859 2517 2217 -24 -698 671 C +ATOM 93 CG2 VAL A 28 -19.030 24.400 -9.592 1.00 16.56 C +ANISOU 93 CG2 VAL A 28 2329 1725 2235 -434 -474 463 C +ATOM 94 N ARG A 29 -16.904 26.762 -7.682 1.00 14.38 N +ANISOU 94 N ARG A 29 1823 1628 2010 3 -704 634 N +ATOM 95 CA ARG A 29 -15.579 26.613 -7.073 1.00 13.71 C +ANISOU 95 CA ARG A 29 1776 1240 2191 -167 -843 241 C +ATOM 96 C ARG A 29 -15.649 25.531 -6.029 1.00 13.63 C +ANISOU 96 C ARG A 29 1898 1374 1907 -253 -739 126 C +ATOM 97 O ARG A 29 -16.136 25.779 -4.930 1.00 14.66 O +ANISOU 97 O ARG A 29 2062 1520 1988 -218 -721 148 O +ATOM 98 CB ARG A 29 -15.109 27.923 -6.425 1.00 15.65 C +ANISOU 98 CB ARG A 29 1991 1406 2549 -729 -476 307 C +ATOM 99 CG ARG A 29 -13.683 27.868 -5.884 1.00 21.97 C +ANISOU 99 CG ARG A 29 2555 2305 3487 -539 -1276 224 C +ATOM 100 CD ARG A 29 -13.241 29.194 -5.290 1.00 27.46 C +ANISOU 100 CD ARG A 29 4330 2716 3385 -1549 -757 368 C +ATOM 101 NE ARG A 29 -13.150 30.249 -6.290 1.00 32.40 N +ANISOU 101 NE ARG A 29 5718 2374 4216 -1757 -892 456 N +ATOM 102 CZ ARG A 29 -12.098 30.469 -7.085 1.00 38.59 C +ANISOU 102 CZ ARG A 29 6046 3877 4736 -601 -243 1252 C +ATOM 103 NH1 ARG A 29 -11.008 29.687 -7.031 1.00 33.71 N +ANISOU 103 NH1 ARG A 29 4592 3489 4725 -1999 -448 706 N +ATOM 104 NH2 ARG A 29 -12.143 31.485 -7.941 1.00 32.09 N +ANISOU 104 NH2 ARG A 29 4541 3571 4077 -343 -1348 885 N +ATOM 105 N PRO A 30 -15.181 24.316 -6.348 1.00 13.07 N +ANISOU 105 N PRO A 30 1693 1467 1805 -115 -663 269 N +ATOM 106 CA PRO A 30 -15.167 23.263 -5.294 1.00 13.18 C +ANISOU 106 CA PRO A 30 1905 1272 1828 43 -843 239 C +ATOM 107 C PRO A 30 -14.380 23.676 -4.026 1.00 14.69 C +ANISOU 107 C PRO A 30 2222 1502 1854 -115 -915 298 C +ATOM 108 O PRO A 30 -13.327 24.342 -4.121 1.00 16.92 O +ANISOU 108 O PRO A 30 2160 2071 2196 -149 -807 82 O +ATOM 109 CB PRO A 30 -14.405 22.110 -5.977 1.00 13.49 C +ANISOU 109 CB PRO A 30 2277 1242 1605 115 -788 235 C +ATOM 110 CG PRO A 30 -14.762 22.288 -7.456 1.00 15.77 C +ANISOU 110 CG PRO A 30 2552 1571 1867 -69 -942 969 C +ATOM 111 CD PRO A 30 -14.720 23.808 -7.660 1.00 14.98 C +ANISOU 111 CD PRO A 30 2158 1416 2117 118 -322 321 C +ATOM 112 N LYS A 31 -14.847 23.256 -2.852 1.00 14.59 N +ANISOU 112 N LYS A 31 2113 1686 1741 -220 -994 216 N +ATOM 113 CA LYS A 31 -13.977 23.335 -1.654 1.00 13.86 C +ANISOU 113 CA LYS A 31 1899 1465 1899 -226 -993 85 C +ATOM 114 C LYS A 31 -12.770 22.350 -1.863 1.00 15.59 C +ANISOU 114 C LYS A 31 1973 1674 2275 -103 -1118 -140 C +ATOM 115 O LYS A 31 -12.827 21.470 -2.737 1.00 14.44 O +ANISOU 115 O LYS A 31 2139 1438 1909 56 -1123 47 O +ATOM 116 CB LYS A 31 -14.767 22.947 -0.377 1.00 14.58 C +ANISOU 116 CB LYS A 31 2468 1600 1472 211 -811 -37 C +ATOM 117 CG LYS A 31 -15.923 23.899 -0.039 1.00 17.58 C +ANISOU 117 CG LYS A 31 2326 2106 2245 454 -848 231 C +ATOM 118 CD LYS A 31 -16.698 23.330 1.174 1.00 18.03 C +ANISOU 118 CD LYS A 31 2601 2157 2089 601 -574 207 C +ATOM 119 CE LYS A 31 -17.917 24.171 1.536 1.00 22.36 C +ANISOU 119 CE LYS A 31 3021 3146 2329 825 -362 294 C +ATOM 120 NZ LYS A 31 -18.520 23.621 2.790 1.00 22.36 N +ANISOU 120 NZ LYS A 31 2599 3744 2152 -38 -839 429 N +ATOM 121 N PRO A 32 -11.689 22.496 -1.083 1.00 14.00 N +ANISOU 121 N PRO A 32 1862 1556 1900 -232 -933 80 N +ATOM 122 CA PRO A 32 -10.471 21.711 -1.373 1.00 14.88 C +ANISOU 122 CA PRO A 32 1762 1640 2249 -417 -1129 215 C +ATOM 123 C PRO A 32 -10.620 20.195 -1.342 1.00 15.12 C +ANISOU 123 C PRO A 32 1852 1578 2312 -122 -1028 396 C +ATOM 124 O PRO A 32 -9.906 19.527 -2.091 1.00 17.98 O +ANISOU 124 O PRO A 32 2099 1665 3066 -161 -977 28 O +ATOM 125 CB PRO A 32 -9.494 22.178 -0.287 1.00 16.13 C +ANISOU 125 CB PRO A 32 1937 1600 2588 -449 -1406 239 C +ATOM 126 CG PRO A 32 -9.899 23.610 -0.065 1.00 17.20 C +ANISOU 126 CG PRO A 32 1719 1826 2989 -200 -948 225 C +ATOM 127 CD PRO A 32 -11.432 23.532 -0.055 1.00 15.96 C +ANISOU 127 CD PRO A 32 1743 1545 2777 -552 -1099 -268 C +ATOM 128 N LEU A 33 -11.503 19.630 -0.497 1.00 14.16 N +ANISOU 128 N LEU A 33 1915 1290 2174 -271 -979 276 N +ATOM 129 CA LEU A 33 -11.629 18.164 -0.491 1.00 13.71 C +ANISOU 129 CA LEU A 33 1711 1414 2082 -517 -791 161 C +ATOM 130 C LEU A 33 -12.263 17.635 -1.782 1.00 13.85 C +ANISOU 130 C LEU A 33 1784 1416 2061 -122 -976 240 C +ATOM 131 O LEU A 33 -11.824 16.615 -2.303 1.00 15.54 O +ANISOU 131 O LEU A 33 1737 1665 2499 255 -1029 10 O +ATOM 132 CB LEU A 33 -12.380 17.667 0.750 1.00 15.11 C +ANISOU 132 CB LEU A 33 2073 1711 1957 -291 -689 444 C +ATOM 133 CG LEU A 33 -11.661 17.938 2.072 1.00 16.99 C +ANISOU 133 CG LEU A 33 2367 2149 1939 -247 -782 576 C +ATOM 134 CD1 LEU A 33 -12.505 17.536 3.265 1.00 19.43 C +ANISOU 134 CD1 LEU A 33 2345 2353 2681 -697 -340 630 C +ATOM 135 CD2 LEU A 33 -10.289 17.279 2.121 1.00 19.80 C +ANISOU 135 CD2 LEU A 33 2364 2755 2402 -149 -1062 685 C +ATOM 136 N LEU A 34 -13.298 18.296 -2.281 1.00 13.66 N +ANISOU 136 N LEU A 34 1632 1634 1924 -361 -1154 212 N +ATOM 137 CA LEU A 34 -13.846 17.888 -3.563 1.00 12.93 C +ANISOU 137 CA LEU A 34 1544 1714 1653 -21 -876 108 C +ATOM 138 C LEU A 34 -12.805 18.134 -4.651 1.00 13.48 C +ANISOU 138 C LEU A 34 1558 1570 1992 -24 -789 169 C +ATOM 139 O LEU A 34 -12.677 17.308 -5.588 1.00 15.20 O +ANISOU 139 O LEU A 34 1795 1697 2282 150 -909 -9 O +ATOM 140 CB LEU A 34 -15.147 18.621 -3.880 1.00 13.60 C +ANISOU 140 CB LEU A 34 1946 1479 1742 162 -1097 227 C +ATOM 141 CG LEU A 34 -15.764 18.385 -5.268 1.00 13.33 C +ANISOU 141 CG LEU A 34 1680 1486 1896 55 -997 -316 C +ATOM 142 CD1 LEU A 34 -16.003 16.885 -5.555 1.00 14.65 C +ANISOU 142 CD1 LEU A 34 1914 1564 2088 117 -737 -679 C +ATOM 143 CD2 LEU A 34 -17.067 19.162 -5.437 1.00 16.29 C +ANISOU 143 CD2 LEU A 34 1920 1803 2465 397 -889 -370 C +ATOM 144 N LEU A 35 -12.069 19.248 -4.547 1.00 13.80 N +ANISOU 144 N LEU A 35 1435 1689 2119 -103 -567 363 N +ATOM 145 CA LEU A 35 -11.061 19.550 -5.571 1.00 15.22 C +ANISOU 145 CA LEU A 35 1952 1599 2230 -314 -248 256 C +ATOM 146 C LEU A 35 -10.012 18.424 -5.630 1.00 18.01 C +ANISOU 146 C LEU A 35 2072 2112 2656 -33 -718 335 C +ATOM 147 O LEU A 35 -9.621 18.009 -6.726 1.00 18.84 O +ANISOU 147 O LEU A 35 2100 2397 2659 -395 -300 149 O +ATOM 148 CB LEU A 35 -10.383 20.916 -5.327 1.00 19.62 C +ANISOU 148 CB LEU A 35 2628 2088 2737 -945 -457 154 C +ATOM 149 CG LEU A 35 -9.569 21.462 -6.513 1.00 22.63 C +ANISOU 149 CG LEU A 35 3041 2287 3271 -659 -305 572 C +ATOM 150 CD1 LEU A 35 -10.470 21.765 -7.700 1.00 25.75 C +ANISOU 150 CD1 LEU A 35 3898 2736 3148 -501 -527 692 C +ATOM 151 CD2 LEU A 35 -8.857 22.738 -6.081 1.00 27.69 C +ANISOU 151 CD2 LEU A 35 3380 2700 4438 -1402 -848 1134 C +ATOM 152 N LYS A 36 -9.569 17.940 -4.466 1.00 16.70 N +ANISOU 152 N LYS A 36 1767 2022 2555 -77 -745 375 N +ATOM 153 CA LYS A 36 -8.657 16.773 -4.362 1.00 18.01 C +ANISOU 153 CA LYS A 36 1842 2309 2689 238 -900 206 C +ATOM 154 C LYS A 36 -9.157 15.574 -5.186 1.00 18.81 C +ANISOU 154 C LYS A 36 1797 2192 3155 180 -493 90 C +ATOM 155 O LYS A 36 -8.394 14.946 -5.935 1.00 20.68 O +ANISOU 155 O LYS A 36 2061 3126 2670 638 -557 132 O +ATOM 156 CB LYS A 36 -8.448 16.347 -2.887 1.00 18.31 C +ANISOU 156 CB LYS A 36 1599 2682 2675 389 -979 318 C +ATOM 157 CG LYS A 36 -7.600 15.068 -2.671 1.00 27.44 C +ANISOU 157 CG LYS A 36 3756 3162 3505 1229 -1132 820 C +ATOM 158 CD LYS A 36 -7.466 14.629 -1.183 1.00 26.47 C +ANISOU 158 CD LYS A 36 4085 2674 3297 1594 -1208 432 C +ATOM 159 CE LYS A 36 -6.844 13.245 -0.985 1.00 39.07 C +ANISOU 159 CE LYS A 36 5595 4054 5196 2852 -1446 -288 C +ATOM 160 NZ LYS A 36 -5.442 13.217 -1.459 1.00 52.34 N +ANISOU 160 NZ LYS A 36 6093 6940 6853 3225 139 262 N +ATOM 161 N LEU A 37 -10.435 15.248 -4.996 1.00 16.56 N +ANISOU 161 N LEU A 37 1776 2153 2362 234 -667 87 N +ATOM 162 CA ALEU A 37 -11.074 14.181 -5.722 0.80 16.88 C +ANISOU 162 CA ALEU A 37 1831 1934 2648 -14 -398 235 C +ATOM 163 CA BLEU A 37 -11.110 14.185 -5.745 0.20 16.62 C +ANISOU 163 CA BLEU A 37 1799 1959 2556 176 -500 142 C +ATOM 164 C LEU A 37 -10.994 14.398 -7.244 1.00 15.74 C +ANISOU 164 C LEU A 37 1624 1776 2579 410 -458 276 C +ATOM 165 O LEU A 37 -10.601 13.485 -8.004 1.00 19.03 O +ANISOU 165 O LEU A 37 2199 1965 3065 613 -96 124 O +ATOM 166 CB ALEU A 37 -12.517 14.074 -5.247 0.80 18.13 C +ANISOU 166 CB ALEU A 37 1970 2398 2519 334 -185 597 C +ATOM 167 CB BLEU A 37 -12.597 14.123 -5.389 0.20 17.04 C +ANISOU 167 CB BLEU A 37 1866 2205 2402 261 -397 220 C +ATOM 168 CG ALEU A 37 -13.303 12.825 -5.576 0.80 17.96 C +ANISOU 168 CG ALEU A 37 2511 1716 2595 809 -188 178 C +ATOM 169 CG BLEU A 37 -13.025 13.500 -4.072 0.20 17.30 C +ANISOU 169 CG BLEU A 37 2257 1997 2317 341 -390 115 C +ATOM 170 CD1ALEU A 37 -14.388 12.587 -4.514 0.80 21.75 C +ANISOU 170 CD1ALEU A 37 2453 2454 3353 -180 88 444 C +ATOM 171 CD1BLEU A 37 -14.530 13.288 -4.075 0.20 16.85 C +ANISOU 171 CD1BLEU A 37 2218 2209 1975 447 69 -123 C +ATOM 172 CD2ALEU A 37 -13.907 12.941 -6.965 0.80 18.88 C +ANISOU 172 CD2ALEU A 37 1945 2082 3143 855 -633 -19 C +ATOM 173 CD2BLEU A 37 -12.296 12.182 -3.898 0.20 17.49 C +ANISOU 173 CD2BLEU A 37 1993 1921 2730 271 -543 -70 C +ATOM 174 N LEU A 38 -11.366 15.583 -7.699 1.00 14.85 N +ANISOU 174 N LEU A 38 1563 1690 2387 118 -377 288 N +ATOM 175 CA LEU A 38 -11.334 15.871 -9.128 1.00 15.76 C +ANISOU 175 CA LEU A 38 1852 1779 2357 625 -83 332 C +ATOM 176 C LEU A 38 -9.913 15.810 -9.692 1.00 17.86 C +ANISOU 176 C LEU A 38 1736 2358 2690 269 -238 464 C +ATOM 177 O LEU A 38 -9.712 15.249 -10.771 1.00 19.22 O +ANISOU 177 O LEU A 38 2253 2563 2487 376 -146 245 O +ATOM 178 CB LEU A 38 -11.965 17.248 -9.413 1.00 17.36 C +ANISOU 178 CB LEU A 38 2438 1870 2286 779 -170 323 C +ATOM 179 CG LEU A 38 -13.399 17.427 -8.890 1.00 19.92 C +ANISOU 179 CG LEU A 38 2042 1979 3544 591 -579 -8 C +ATOM 180 CD1 LEU A 38 -13.897 18.828 -9.233 1.00 21.77 C +ANISOU 180 CD1 LEU A 38 2939 2158 3172 522 -1159 404 C +ATOM 181 CD2 LEU A 38 -14.403 16.354 -9.330 1.00 21.39 C +ANISOU 181 CD2 LEU A 38 2251 2679 3194 261 -545 -43 C +ATOM 182 N LYS A 39 -8.941 16.369 -8.958 1.00 17.27 N +ANISOU 182 N LYS A 39 1581 2306 2674 156 -43 373 N +ATOM 183 CA ALYS A 39 -7.535 16.370 -9.384 0.80 20.32 C +ANISOU 183 CA ALYS A 39 1440 2772 3506 495 -174 261 C +ATOM 184 CA BLYS A 39 -7.542 16.372 -9.384 0.20 19.02 C +ANISOU 184 CA BLYS A 39 1580 2574 3072 188 -14 383 C +ATOM 185 C LYS A 39 -7.005 14.948 -9.502 1.00 20.77 C +ANISOU 185 C LYS A 39 1914 2602 3373 333 143 357 C +ATOM 186 O LYS A 39 -6.138 14.674 -10.339 1.00 22.91 O +ANISOU 186 O LYS A 39 2043 3079 3581 432 259 210 O +ATOM 187 CB ALYS A 39 -6.664 17.118 -8.365 0.80 27.22 C +ANISOU 187 CB ALYS A 39 2285 3428 4626 -285 -185 -341 C +ATOM 188 CB BLYS A 39 -6.683 17.175 -8.399 0.20 22.26 C +ANISOU 188 CB BLYS A 39 1994 3168 3295 -426 -18 381 C +ATOM 189 CG ALYS A 39 -6.998 18.593 -8.197 0.80 35.34 C +ANISOU 189 CG ALYS A 39 3461 3801 6167 -15 679 -1196 C +ATOM 190 CG BLYS A 39 -6.841 18.687 -8.504 0.20 16.46 C +ANISOU 190 CG BLYS A 39 1947 2806 1499 -1308 515 897 C +ATOM 191 CD ALYS A 39 -6.122 19.481 -9.058 0.80 46.73 C +ANISOU 191 CD ALYS A 39 4811 5447 7497 -572 819 -31 C +ATOM 192 CD BLYS A 39 -5.676 19.332 -9.235 0.20 24.97 C +ANISOU 192 CD BLYS A 39 2380 5093 2014 -1995 41 1153 C +ATOM 193 CE ALYS A 39 -6.504 20.944 -8.911 0.80 50.95 C +ANISOU 193 CE ALYS A 39 5353 5818 8184 -311 -309 -1517 C +ATOM 194 CE BLYS A 39 -5.863 20.837 -9.350 0.20 32.23 C +ANISOU 194 CE BLYS A 39 3810 4860 3573 -391 -551 914 C +ATOM 195 NZ ALYS A 39 -5.934 21.539 -7.673 0.80 45.67 N +ANISOU 195 NZ ALYS A 39 4217 5853 7283 2315 -1128 -828 N +ATOM 196 NZ BLYS A 39 -7.231 21.202 -9.814 0.20 27.20 N +ANISOU 196 NZ BLYS A 39 4825 2698 2808 -90 -1194 1608 N +ATOM 197 N SER A 40 -7.510 14.045 -8.650 1.00 20.31 N +ANISOU 197 N SER A 40 2050 2341 3323 140 -514 432 N +ATOM 198 CA SER A 40 -7.035 12.661 -8.650 1.00 20.43 C +ANISOU 198 CA SER A 40 2383 2350 3031 379 222 402 C +ATOM 199 C SER A 40 -7.358 11.925 -9.970 1.00 21.56 C +ANISOU 199 C SER A 40 2307 2703 3182 991 99 -57 C +ATOM 200 O SER A 40 -6.747 10.895 -10.276 1.00 26.02 O +ANISOU 200 O SER A 40 2461 3246 4179 1445 863 112 O +ATOM 201 CB SER A 40 -7.577 11.860 -7.450 1.00 21.29 C +ANISOU 201 CB SER A 40 2237 2438 3414 635 92 1087 C +ATOM 202 OG SER A 40 -8.902 11.408 -7.660 1.00 22.40 O +ANISOU 202 OG SER A 40 2618 2577 3313 534 -4 481 O +ATOM 203 N VAL A 41 -8.320 12.450 -10.729 1.00 20.85 N +ANISOU 203 N VAL A 41 2360 3066 2493 256 72 457 N +ATOM 204 CA VAL A 41 -8.633 11.890 -12.054 1.00 22.32 C +ANISOU 204 CA VAL A 41 2144 3185 3151 63 -201 -32 C +ATOM 205 C VAL A 41 -8.337 12.882 -13.186 1.00 25.13 C +ANISOU 205 C VAL A 41 2499 3581 3466 305 -201 220 C +ATOM 206 O VAL A 41 -8.910 12.814 -14.273 1.00 29.35 O +ANISOU 206 O VAL A 41 3330 4044 3775 -2 -700 -206 O +ATOM 207 CB VAL A 41 -10.066 11.325 -12.141 1.00 20.54 C +ANISOU 207 CB VAL A 41 2322 2422 3058 -163 330 -92 C +ATOM 208 CG1 VAL A 41 -10.173 10.030 -11.340 1.00 21.52 C +ANISOU 208 CG1 VAL A 41 1818 2620 3736 -204 654 265 C +ATOM 209 CG2 VAL A 41 -11.087 12.354 -11.688 1.00 23.39 C +ANISOU 209 CG2 VAL A 41 1924 3372 3588 126 -3 -196 C +ATOM 210 N GLY A 42 -7.410 13.792 -12.921 1.00 22.53 N +ANISOU 210 N GLY A 42 2489 2776 3293 465 444 101 N +ATOM 211 CA GLY A 42 -6.778 14.567 -13.977 1.00 26.78 C +ANISOU 211 CA GLY A 42 3437 3456 3280 434 182 797 C +ATOM 212 C GLY A 42 -7.330 15.966 -14.175 1.00 28.06 C +ANISOU 212 C GLY A 42 2937 3446 4275 442 983 535 C +ATOM 213 O GLY A 42 -6.894 16.683 -15.081 1.00 29.01 O +ANISOU 213 O GLY A 42 3508 4133 3378 649 1013 604 O +ATOM 214 N ALA A 43 -8.254 16.396 -13.328 1.00 22.63 N +ANISOU 214 N ALA A 43 2120 3158 3320 131 393 766 N +ATOM 215 CA ALA A 43 -8.718 17.778 -13.451 1.00 26.76 C +ANISOU 215 CA ALA A 43 2737 3161 4268 193 656 756 C +ATOM 216 C ALA A 43 -7.592 18.747 -13.070 1.00 31.60 C +ANISOU 216 C ALA A 43 3305 4195 4504 -193 -148 985 C +ATOM 217 O ALA A 43 -6.753 18.439 -12.215 1.00 34.55 O +ANISOU 217 O ALA A 43 3433 5076 4615 -664 -544 732 O +ATOM 218 CB ALA A 43 -9.971 18.001 -12.625 1.00 24.13 C +ANISOU 218 CB ALA A 43 2563 2942 3662 357 421 895 C +ATOM 219 N GLN A 44 -7.539 19.900 -13.722 1.00 29.02 N +ANISOU 219 N GLN A 44 2507 3463 5054 275 1068 469 N +ATOM 220 CA GLN A 44 -6.370 20.783 -13.560 1.00 36.59 C +ANISOU 220 CA GLN A 44 3982 4096 5821 -670 1429 -273 C +ATOM 221 C GLN A 44 -6.634 22.220 -13.106 1.00 38.50 C +ANISOU 221 C GLN A 44 3455 3678 7494 213 323 287 C +ATOM 222 O GLN A 44 -5.698 23.010 -12.995 1.00 49.02 O +ANISOU 222 O GLN A 44 3009 5657 9957 -236 145 408 O +ATOM 223 CB GLN A 44 -5.545 20.792 -14.848 1.00 41.85 C +ANISOU 223 CB GLN A 44 4356 5111 6431 -2 2037 642 C +ATOM 224 CG GLN A 44 -4.759 19.512 -15.064 1.00 44.13 C +ANISOU 224 CG GLN A 44 4714 5952 6101 306 1851 -252 C +ATOM 225 CD GLN A 44 -3.743 19.664 -16.160 1.00 36.81 C +ANISOU 225 CD GLN A 44 4008 5994 3984 978 487 -134 C +ATOM 226 OE1 GLN A 44 -4.096 19.773 -17.343 1.00 50.75 O +ANISOU 226 OE1 GLN A 44 7044 8120 4117 -126 -15 1012 O +ATOM 227 NE2 GLN A 44 -2.467 19.680 -15.781 1.00 47.46 N +ANISOU 227 NE2 GLN A 44 4246 6085 7699 -356 17 -545 N +ATOM 228 N LYS A 45 -7.889 22.552 -12.833 1.00 33.17 N +ANISOU 228 N LYS A 45 3195 4080 5327 -271 588 410 N +ATOM 229 CA LYS A 45 -8.305 23.942 -12.588 1.00 29.68 C +ANISOU 229 CA LYS A 45 2900 3965 4409 -455 301 758 C +ATOM 230 C LYS A 45 -8.889 24.065 -11.184 1.00 28.42 C +ANISOU 230 C LYS A 45 2999 3346 4452 -210 230 786 C +ATOM 231 O LYS A 45 -9.115 23.053 -10.528 1.00 24.06 O +ANISOU 231 O LYS A 45 2254 3049 3838 78 -356 762 O +ATOM 232 CB LYS A 45 -9.380 24.342 -13.600 1.00 36.24 C +ANISOU 232 CB LYS A 45 4538 4767 4461 -115 295 2205 C +ATOM 233 CG LYS A 45 -8.996 24.188 -15.069 1.00 47.61 C +ANISOU 233 CG LYS A 45 6243 6848 4998 1015 -54 566 C +ATOM 234 CD LYS A 45 -10.193 24.471 -15.969 1.00 47.58 C +ANISOU 234 CD LYS A 45 7347 7074 3656 241 -824 -640 C +ATOM 235 CE LYS A 45 -11.296 23.436 -15.778 1.00 54.67 C +ANISOU 235 CE LYS A 45 7562 7231 5976 165 -901 -494 C +ATOM 236 NZ LYS A 45 -12.624 23.910 -16.255 1.00 53.09 N +ANISOU 236 NZ LYS A 45 6576 4874 8722 -368 692 905 N +ATOM 237 N ASP A 46 -9.156 25.298 -10.746 1.00 22.74 N +ANISOU 237 N ASP A 46 1776 3451 3410 -403 -182 290 N +ATOM 238 CA ASP A 46 -9.816 25.549 -9.469 1.00 22.20 C +ANISOU 238 CA ASP A 46 2133 2657 3643 -225 -304 331 C +ATOM 239 C ASP A 46 -11.323 25.763 -9.624 1.00 20.26 C +ANISOU 239 C ASP A 46 2049 2865 2781 -447 -609 1194 C +ATOM 240 O ASP A 46 -12.053 25.720 -8.632 1.00 21.43 O +ANISOU 240 O ASP A 46 2362 2615 3162 -634 -373 693 O +ATOM 241 CB ASP A 46 -9.221 26.800 -8.802 1.00 27.42 C +ANISOU 241 CB ASP A 46 2734 3165 4518 -862 -834 210 C +ATOM 242 CG ASP A 46 -7.786 26.592 -8.336 1.00 34.01 C +ANISOU 242 CG ASP A 46 2796 3390 6734 -470 -997 586 C +ATOM 243 OD1 ASP A 46 -7.444 25.474 -7.892 1.00 33.09 O +ANISOU 243 OD1 ASP A 46 2422 4588 5560 -202 -960 1587 O +ATOM 244 OD2 ASP A 46 -6.996 27.557 -8.405 1.00 43.70 O +ANISOU 244 OD2 ASP A 46 2779 5750 8072 -1718 -842 543 O +ATOM 245 N THR A 47 -11.781 26.071 -10.845 1.00 17.73 N +ANISOU 245 N THR A 47 1742 2510 2484 -311 -506 399 N +ATOM 246 CA THR A 47 -13.216 26.316 -11.078 1.00 15.76 C +ANISOU 246 CA THR A 47 1837 1811 2339 -328 -658 380 C +ATOM 247 C THR A 47 -13.683 25.483 -12.252 1.00 17.16 C +ANISOU 247 C THR A 47 2073 2099 2347 -338 -509 369 C +ATOM 248 O THR A 47 -12.905 25.234 -13.162 1.00 20.22 O +ANISOU 248 O THR A 47 2311 2482 2888 -44 129 712 O +ATOM 249 CB THR A 47 -13.522 27.801 -11.344 1.00 18.68 C +ANISOU 249 CB THR A 47 2611 1950 2534 -221 -480 689 C +ATOM 250 OG1 THR A 47 -12.814 28.268 -12.496 1.00 23.64 O +ANISOU 250 OG1 THR A 47 2992 2440 3548 -763 -141 946 O +ATOM 251 CG2 THR A 47 -13.095 28.643 -10.135 1.00 23.97 C +ANISOU 251 CG2 THR A 47 3695 2819 2591 -355 -900 357 C +ATOM 252 N TYR A 48 -14.947 25.046 -12.211 1.00 16.31 N +ANISOU 252 N TYR A 48 2019 1892 2283 -427 -676 537 N +ATOM 253 CA TYR A 48 -15.509 24.142 -13.216 1.00 15.12 C +ANISOU 253 CA TYR A 48 1959 1816 1969 133 -724 419 C +ATOM 254 C TYR A 48 -16.980 24.461 -13.392 1.00 14.39 C +ANISOU 254 C TYR A 48 1876 1721 1869 189 -464 463 C +ATOM 255 O TYR A 48 -17.618 24.954 -12.456 1.00 17.68 O +ANISOU 255 O TYR A 48 2049 2311 2356 206 -388 100 O +ATOM 256 CB TYR A 48 -15.462 22.705 -12.691 1.00 17.93 C +ANISOU 256 CB TYR A 48 2177 1753 2881 112 -524 375 C +ATOM 257 CG TYR A 48 -14.063 22.223 -12.426 1.00 22.80 C +ANISOU 257 CG TYR A 48 2134 2752 3777 21 -673 441 C +ATOM 258 CD1 TYR A 48 -13.458 22.436 -11.166 1.00 21.36 C +ANISOU 258 CD1 TYR A 48 2250 2451 3414 -255 -501 981 C +ATOM 259 CD2 TYR A 48 -13.331 21.600 -13.410 1.00 26.80 C +ANISOU 259 CD2 TYR A 48 1981 3103 5099 -4 -311 -116 C +ATOM 260 CE1 TYR A 48 -12.182 22.003 -10.899 1.00 24.00 C +ANISOU 260 CE1 TYR A 48 2320 2684 4114 -104 -444 505 C +ATOM 261 CE2 TYR A 48 -12.018 21.160 -13.152 1.00 27.16 C +ANISOU 261 CE2 TYR A 48 2566 3311 4440 697 -803 311 C +ATOM 262 CZ TYR A 48 -11.459 21.369 -11.909 1.00 25.51 C +ANISOU 262 CZ TYR A 48 2449 2766 4478 56 -283 82 C +ATOM 263 OH TYR A 48 -10.179 20.943 -11.641 1.00 28.46 O +ANISOU 263 OH TYR A 48 2644 4340 3829 503 -197 483 O +ATOM 264 N THR A 49 -17.571 24.105 -14.525 1.00 14.72 N +ANISOU 264 N THR A 49 1839 1746 2006 162 -531 486 N +ATOM 265 CA THR A 49 -19.054 24.098 -14.542 1.00 14.61 C +ANISOU 265 CA THR A 49 1886 2042 1623 245 -312 484 C +ATOM 266 C THR A 49 -19.559 22.870 -13.769 1.00 14.96 C +ANISOU 266 C THR A 49 2029 1780 1872 184 -301 331 C +ATOM 267 O THR A 49 -18.813 21.881 -13.564 1.00 14.38 O +ANISOU 267 O THR A 49 1777 1828 1858 228 -429 68 O +ATOM 268 CB THR A 49 -19.609 24.015 -15.960 1.00 17.21 C +ANISOU 268 CB THR A 49 2829 2054 1655 101 -511 274 C +ATOM 269 OG1 THR A 49 -19.184 22.772 -16.543 1.00 16.36 O +ANISOU 269 OG1 THR A 49 2464 2055 1697 70 -237 317 O +ATOM 270 CG2 THR A 49 -19.132 25.216 -16.808 1.00 21.46 C +ANISOU 270 CG2 THR A 49 2948 2580 2622 -113 -424 841 C +ATOM 271 N MET A 50 -20.827 22.893 -13.358 1.00 14.11 N +ANISOU 271 N MET A 50 2028 1920 1413 148 -364 342 N +ATOM 272 CA MET A 50 -21.381 21.712 -12.683 1.00 13.67 C +ANISOU 272 CA MET A 50 1897 1723 1571 9 -221 155 C +ATOM 273 C MET A 50 -21.291 20.468 -13.595 1.00 13.47 C +ANISOU 273 C MET A 50 1948 1716 1450 21 -341 193 C +ATOM 274 O MET A 50 -20.989 19.353 -13.127 1.00 14.75 O +ANISOU 274 O MET A 50 1818 1992 1793 323 -204 300 O +ATOM 275 CB MET A 50 -22.835 21.950 -12.203 1.00 15.30 C +ANISOU 275 CB MET A 50 1864 2217 1729 519 -489 -293 C +ATOM 276 CG MET A 50 -22.918 22.827 -10.954 1.00 18.31 C +ANISOU 276 CG MET A 50 2820 2453 1683 199 -544 -322 C +ATOM 277 SD MET A 50 -22.226 22.016 -9.473 1.00 19.54 S +ANISOU 277 SD MET A 50 2305 3052 2067 -629 -613 277 S +ATOM 278 CE MET A 50 -23.601 20.990 -8.957 1.00 17.17 C +ANISOU 278 CE MET A 50 1958 2319 2245 -435 -652 127 C +ATOM 279 N LYS A 51 -21.540 20.653 -14.902 1.00 14.69 N +ANISOU 279 N LYS A 51 2101 2075 1404 98 -272 -40 N +ATOM 280 CA ALYS A 51 -21.438 19.548 -15.839 0.50 15.78 C +ANISOU 280 CA ALYS A 51 2495 2051 1447 303 -191 -24 C +ATOM 281 CA BLYS A 51 -21.430 19.558 -15.856 0.50 16.14 C +ANISOU 281 CA BLYS A 51 2525 2066 1538 332 -203 -69 C +ATOM 282 C LYS A 51 -20.030 18.919 -15.810 1.00 16.15 C +ANISOU 282 C LYS A 51 2310 1996 1830 72 -569 36 C +ATOM 283 O LYS A 51 -19.888 17.686 -15.854 1.00 15.66 O +ANISOU 283 O LYS A 51 2458 1912 1578 119 0 276 O +ATOM 284 CB ALYS A 51 -21.839 19.987 -17.256 0.50 17.96 C +ANISOU 284 CB ALYS A 51 3086 2147 1590 413 -463 11 C +ATOM 285 CB BLYS A 51 -21.786 20.025 -17.279 0.50 19.05 C +ANISOU 285 CB BLYS A 51 3297 2220 1719 407 -590 -23 C +ATOM 286 CG ALYS A 51 -22.098 18.826 -18.209 0.50 20.04 C +ANISOU 286 CG ALYS A 51 3239 2627 1746 179 -534 -207 C +ATOM 287 CG BLYS A 51 -21.732 18.915 -18.324 0.50 22.99 C +ANISOU 287 CG BLYS A 51 3790 2664 2278 463 -561 -473 C +ATOM 288 CD ALYS A 51 -22.588 19.321 -19.564 0.50 25.57 C +ANISOU 288 CD ALYS A 51 3420 4305 1989 119 -1138 -130 C +ATOM 289 CD BLYS A 51 -22.379 19.328 -19.639 0.50 30.62 C +ANISOU 289 CD BLYS A 51 4244 4696 2692 -28 -1334 -320 C +ATOM 290 CE ALYS A 51 -22.693 18.168 -20.541 0.50 31.73 C +ANISOU 290 CE ALYS A 51 4733 4145 3178 265 -1168 -447 C +ATOM 291 CE BLYS A 51 -22.190 18.235 -20.677 0.50 39.41 C +ANISOU 291 CE BLYS A 51 5773 5032 4167 20 -1349 -1117 C +ATOM 292 NZ ALYS A 51 -23.177 18.626 -21.871 0.50 31.08 N +ANISOU 292 NZ ALYS A 51 4608 3958 3241 726 -1177 -399 N +ATOM 293 NZ BLYS A 51 -22.549 16.895 -20.131 0.50 40.66 N +ANISOU 293 NZ BLYS A 51 5817 4672 4959 160 -569 -1281 N +ATOM 294 N GLU A 52 -18.987 19.758 -15.755 1.00 14.80 N +ANISOU 294 N GLU A 52 1974 2066 1583 182 -212 71 N +ATOM 295 CA GLU A 52 -17.600 19.258 -15.634 1.00 16.60 C +ANISOU 295 CA GLU A 52 2109 2284 1915 119 -18 383 C +ATOM 296 C GLU A 52 -17.376 18.531 -14.312 1.00 14.00 C +ANISOU 296 C GLU A 52 1902 1900 1517 120 -160 -48 C +ATOM 297 O GLU A 52 -16.707 17.493 -14.271 1.00 14.90 O +ANISOU 297 O GLU A 52 2244 1903 1511 218 -126 429 O +ATOM 298 CB GLU A 52 -16.591 20.404 -15.804 1.00 16.15 C +ANISOU 298 CB GLU A 52 2405 2137 1591 -23 287 413 C +ATOM 299 CG GLU A 52 -16.484 20.903 -17.229 1.00 20.95 C +ANISOU 299 CG GLU A 52 3135 2901 1924 156 582 919 C +ATOM 300 CD GLU A 52 -15.692 22.195 -17.368 1.00 26.18 C +ANISOU 300 CD GLU A 52 4001 3361 2585 -498 970 347 C +ATOM 301 OE1 GLU A 52 -15.714 23.017 -16.441 1.00 23.79 O +ANISOU 301 OE1 GLU A 52 3655 3024 2360 -556 449 599 O +ATOM 302 OE2 GLU A 52 -15.068 22.409 -18.436 0.50 27.20 O +ANISOU 302 OE2 GLU A 52 4138 3198 2995 -1739 1307 450 O +ATOM 303 N VAL A 53 -17.917 19.079 -13.210 1.00 13.20 N +ANISOU 303 N VAL A 53 1951 1894 1169 29 -207 182 N +ATOM 304 CA VAL A 53 -17.792 18.386 -11.901 1.00 12.43 C +ANISOU 304 CA VAL A 53 1826 1557 1339 152 -193 259 C +ATOM 305 C VAL A 53 -18.381 16.981 -11.992 1.00 12.23 C +ANISOU 305 C VAL A 53 1700 1714 1233 159 -353 141 C +ATOM 306 O VAL A 53 -17.753 16.006 -11.556 1.00 13.36 O +ANISOU 306 O VAL A 53 1866 1557 1650 248 -288 160 O +ATOM 307 CB VAL A 53 -18.443 19.191 -10.752 1.00 12.85 C +ANISOU 307 CB VAL A 53 2051 1348 1481 45 -96 314 C +ATOM 308 CG1 VAL A 53 -18.390 18.383 -9.469 1.00 13.15 C +ANISOU 308 CG1 VAL A 53 1605 1885 1505 182 -370 521 C +ATOM 309 CG2 VAL A 53 -17.706 20.522 -10.552 1.00 13.54 C +ANISOU 309 CG2 VAL A 53 1692 1489 1963 33 -124 -81 C +ATOM 310 N LEU A 54 -19.561 16.862 -12.612 1.00 12.17 N +ANISOU 310 N LEU A 54 1592 1691 1341 -144 -318 79 N +ATOM 311 CA LEU A 54 -20.178 15.536 -12.774 1.00 14.04 C +ANISOU 311 CA LEU A 54 1779 1835 1721 -60 -571 -263 C +ATOM 312 C LEU A 54 -19.363 14.610 -13.652 1.00 15.18 C +ANISOU 312 C LEU A 54 1971 1911 1885 91 -147 132 C +ATOM 313 O LEU A 54 -19.278 13.405 -13.373 1.00 16.02 O +ANISOU 313 O LEU A 54 2276 1731 2078 368 -572 -14 O +ATOM 314 CB LEU A 54 -21.606 15.693 -13.328 1.00 13.90 C +ANISOU 314 CB LEU A 54 1752 1856 1670 118 -519 221 C +ATOM 315 CG LEU A 54 -22.710 15.828 -12.277 1.00 14.83 C +ANISOU 315 CG LEU A 54 2440 1458 1733 -285 -30 -34 C +ATOM 316 CD1 LEU A 54 -22.787 14.614 -11.326 1.00 14.86 C +ANISOU 316 CD1 LEU A 54 2395 1606 1643 -167 -473 49 C +ATOM 317 CD2 LEU A 54 -22.487 17.114 -11.509 1.00 15.87 C +ANISOU 317 CD2 LEU A 54 2592 1486 1950 -163 16 -106 C +ATOM 318 N PHE A 55 -18.751 15.157 -14.712 1.00 15.46 N +ANISOU 318 N PHE A 55 2096 1931 1847 113 -132 145 N +ATOM 319 CA PHE A 55 -17.897 14.332 -15.573 1.00 15.52 C +ANISOU 319 CA PHE A 55 1828 2242 1826 111 -23 283 C +ATOM 320 C PHE A 55 -16.752 13.736 -14.759 1.00 16.22 C +ANISOU 320 C PHE A 55 2347 2005 1811 246 -344 -47 C +ATOM 321 O PHE A 55 -16.466 12.540 -14.820 1.00 18.75 O +ANISOU 321 O PHE A 55 2960 2153 2010 691 -353 234 O +ATOM 322 CB PHE A 55 -17.333 15.181 -16.707 1.00 17.06 C +ANISOU 322 CB PHE A 55 2378 2438 1666 263 181 196 C +ATOM 323 CG PHE A 55 -16.285 14.473 -17.502 1.00 21.18 C +ANISOU 323 CG PHE A 55 2933 3096 2017 847 222 -44 C +ATOM 324 CD1 PHE A 55 -16.650 13.545 -18.469 1.00 26.81 C +ANISOU 324 CD1 PHE A 55 4191 3190 2803 1062 -4 -261 C +ATOM 325 CD2 PHE A 55 -14.929 14.681 -17.228 1.00 22.41 C +ANISOU 325 CD2 PHE A 55 2958 3211 2345 594 259 457 C +ATOM 326 CE1 PHE A 55 -15.678 12.859 -19.186 1.00 29.79 C +ANISOU 326 CE1 PHE A 55 4320 3688 3310 1197 416 -295 C +ATOM 327 CE2 PHE A 55 -13.957 13.997 -17.933 1.00 27.78 C +ANISOU 327 CE2 PHE A 55 3775 3297 3483 857 72 -428 C +ATOM 328 CZ PHE A 55 -14.335 13.094 -18.922 1.00 32.42 C +ANISOU 328 CZ PHE A 55 4527 4330 3459 984 756 -1250 C +ATOM 329 N TYR A 56 -16.064 14.580 -14.009 1.00 14.56 N +ANISOU 329 N TYR A 56 2028 2087 1415 223 -338 10 N +ATOM 330 CA TYR A 56 -14.920 14.060 -13.228 1.00 16.29 C +ANISOU 330 CA TYR A 56 2032 2074 2083 1 -461 183 C +ATOM 331 C TYR A 56 -15.326 13.149 -12.075 1.00 16.29 C +ANISOU 331 C TYR A 56 2257 1846 2084 392 -163 51 C +ATOM 332 O TYR A 56 -14.615 12.185 -11.784 1.00 15.02 O +ANISOU 332 O TYR A 56 1969 1535 2201 219 141 185 O +ATOM 333 CB TYR A 56 -14.063 15.216 -12.730 1.00 16.34 C +ANISOU 333 CB TYR A 56 2024 2124 2061 -256 -124 251 C +ATOM 334 CG TYR A 56 -13.246 15.850 -13.847 1.00 19.35 C +ANISOU 334 CG TYR A 56 2283 2439 2630 -105 409 448 C +ATOM 335 CD1 TYR A 56 -12.200 15.154 -14.457 1.00 23.33 C +ANISOU 335 CD1 TYR A 56 2833 2864 3165 348 433 113 C +ATOM 336 CD2 TYR A 56 -13.506 17.160 -14.268 1.00 18.97 C +ANISOU 336 CD2 TYR A 56 2538 2251 2416 -404 71 391 C +ATOM 337 CE1 TYR A 56 -11.438 15.739 -15.466 1.00 26.23 C +ANISOU 337 CE1 TYR A 56 2883 3579 3502 179 553 109 C +ATOM 338 CE2 TYR A 56 -12.759 17.741 -15.284 1.00 24.67 C +ANISOU 338 CE2 TYR A 56 3133 3561 2680 -149 785 302 C +ATOM 339 CZ TYR A 56 -11.732 17.026 -15.874 1.00 28.60 C +ANISOU 339 CZ TYR A 56 3486 3827 3551 -169 1143 576 C +ATOM 340 OH TYR A 56 -11.005 17.631 -16.859 1.00 33.24 O +ANISOU 340 OH TYR A 56 3913 4345 4370 -276 1504 1118 O +ATOM 341 N LEU A 57 -16.448 13.446 -11.411 1.00 13.76 N +ANISOU 341 N LEU A 57 1938 1701 1590 71 -292 78 N +ATOM 342 CA ALEU A 57 -16.943 12.529 -10.365 0.80 13.84 C +ANISOU 342 CA ALEU A 57 2047 1508 1702 288 43 -12 C +ATOM 343 CA BLEU A 57 -16.987 12.565 -10.385 0.20 13.71 C +ANISOU 343 CA BLEU A 57 1990 1575 1642 256 -93 21 C +ATOM 344 C LEU A 57 -17.272 11.197 -11.002 1.00 13.42 C +ANISOU 344 C LEU A 57 1963 1569 1567 472 -176 -21 C +ATOM 345 O LEU A 57 -16.991 10.183 -10.428 1.00 13.47 O +ANISOU 345 O LEU A 57 1899 1587 1629 403 -104 49 O +ATOM 346 CB ALEU A 57 -18.195 13.045 -9.658 0.80 16.48 C +ANISOU 346 CB ALEU A 57 1849 2163 2247 217 27 -291 C +ATOM 347 CB BLEU A 57 -18.270 13.164 -9.812 0.20 14.24 C +ANISOU 347 CB BLEU A 57 1966 1703 1741 196 -57 -48 C +ATOM 348 CG ALEU A 57 -18.016 14.137 -8.621 0.80 14.32 C +ANISOU 348 CG ALEU A 57 1431 2086 1920 222 -246 -67 C +ATOM 349 CG BLEU A 57 -18.811 12.546 -8.530 0.20 13.28 C +ANISOU 349 CG BLEU A 57 2009 1306 1731 331 -128 17 C +ATOM 350 CD1ALEU A 57 -19.365 14.744 -8.217 0.80 16.63 C +ANISOU 350 CD1ALEU A 57 2066 1964 2289 578 250 -93 C +ATOM 351 CD1BLEU A 57 -17.685 12.314 -7.544 0.20 14.50 C +ANISOU 351 CD1BLEU A 57 2148 1524 1834 214 -274 26 C +ATOM 352 CD2ALEU A 57 -17.309 13.555 -7.407 0.80 19.69 C +ANISOU 352 CD2ALEU A 57 3185 2661 1635 391 -667 -112 C +ATOM 353 CD2BLEU A 57 -19.873 13.451 -7.923 0.20 12.64 C +ANISOU 353 CD2BLEU A 57 1739 1213 1850 278 -404 -92 C +ATOM 354 N GLY A 58 -17.881 11.195 -12.188 1.00 14.25 N +ANISOU 354 N GLY A 58 2266 1724 1421 390 -272 -38 N +ATOM 355 CA GLY A 58 -18.175 9.933 -12.879 1.00 15.10 C +ANISOU 355 CA GLY A 58 2042 2026 1668 226 -169 -245 C +ATOM 356 C GLY A 58 -16.906 9.176 -13.180 1.00 15.09 C +ANISOU 356 C GLY A 58 2244 1684 1805 327 -76 -64 C +ATOM 357 O GLY A 58 -16.863 7.962 -12.974 1.00 15.91 O +ANISOU 357 O GLY A 58 2495 1585 1964 415 -407 -203 O +ATOM 358 N GLN A 59 -15.856 9.885 -13.623 1.00 15.83 N +ANISOU 358 N GLN A 59 2242 1907 1865 391 -62 -56 N +ATOM 359 CA AGLN A 59 -14.567 9.246 -13.901 0.50 16.61 C +ANISOU 359 CA AGLN A 59 2078 2114 2118 276 22 175 C +ATOM 360 CA BGLN A 59 -14.541 9.277 -13.898 0.50 16.52 C +ANISOU 360 CA BGLN A 59 2074 2063 2140 265 -8 154 C +ATOM 361 C GLN A 59 -13.975 8.634 -12.629 1.00 16.89 C +ANISOU 361 C GLN A 59 2344 1956 2115 591 -58 -76 C +ATOM 362 O GLN A 59 -13.421 7.525 -12.653 1.00 17.86 O +ANISOU 362 O GLN A 59 2601 1885 2298 612 396 142 O +ATOM 363 CB AGLN A 59 -13.613 10.255 -14.540 0.50 22.46 C +ANISOU 363 CB AGLN A 59 2962 2877 2694 -112 623 422 C +ATOM 364 CB BGLN A 59 -13.555 10.336 -14.412 0.50 21.05 C +ANISOU 364 CB BGLN A 59 2646 2601 2749 -85 479 215 C +ATOM 365 CG AGLN A 59 -13.878 10.422 -16.025 0.50 27.61 C +ANISOU 365 CG AGLN A 59 3793 4098 2599 -358 861 -7 C +ATOM 366 CG BGLN A 59 -13.759 10.778 -15.854 0.50 25.33 C +ANISOU 366 CG BGLN A 59 3674 3139 2809 -125 146 -7 C +ATOM 367 CD AGLN A 59 -13.336 9.251 -16.816 0.50 33.08 C +ANISOU 367 CD AGLN A 59 4991 4549 3028 42 594 -633 C +ATOM 368 CD BGLN A 59 -12.461 11.274 -16.472 0.50 30.06 C +ANISOU 368 CD BGLN A 59 4121 3463 3838 -527 706 -262 C +ATOM 369 OE1AGLN A 59 -12.158 9.222 -17.163 0.50 39.26 O +ANISOU 369 OE1AGLN A 59 5124 5515 4276 235 781 -1721 O +ATOM 370 OE1BGLN A 59 -11.679 11.971 -15.820 0.50 35.52 O +ANISOU 370 OE1BGLN A 59 5006 4224 4265 -500 -331 -352 O +ATOM 371 NE2AGLN A 59 -14.189 8.274 -17.096 0.50 35.18 N +ANISOU 371 NE2AGLN A 59 4693 5743 2930 -347 886 -641 N +ATOM 372 NE2BGLN A 59 -12.219 10.908 -17.728 0.50 31.89 N +ANISOU 372 NE2BGLN A 59 4543 3794 3777 400 -1077 -1160 N +ATOM 373 N TYR A 60 -14.111 9.349 -11.517 1.00 16.08 N +ANISOU 373 N TYR A 60 2232 2124 1753 306 63 51 N +ATOM 374 CA TYR A 60 -13.626 8.859 -10.232 1.00 14.67 C +ANISOU 374 CA TYR A 60 1945 1832 1794 259 -207 -170 C +ATOM 375 C TYR A 60 -14.342 7.568 -9.804 1.00 16.46 C +ANISOU 375 C TYR A 60 1931 1926 2396 471 -272 136 C +ATOM 376 O TYR A 60 -13.697 6.572 -9.389 1.00 16.83 O +ANISOU 376 O TYR A 60 2274 2089 2031 587 -375 205 O +ATOM 377 CB TYR A 60 -13.809 9.966 -9.211 1.00 14.37 C +ANISOU 377 CB TYR A 60 2128 1362 1969 397 -482 -92 C +ATOM 378 CG TYR A 60 -13.387 9.609 -7.799 1.00 15.32 C +ANISOU 378 CG TYR A 60 1927 1769 2122 549 -480 183 C +ATOM 379 CD1 TYR A 60 -12.071 9.792 -7.383 1.00 15.79 C +ANISOU 379 CD1 TYR A 60 1841 1867 2290 430 -428 156 C +ATOM 380 CD2 TYR A 60 -14.314 9.102 -6.870 1.00 16.61 C +ANISOU 380 CD2 TYR A 60 2314 1742 2255 594 -310 266 C +ATOM 381 CE1 TYR A 60 -11.672 9.489 -6.075 1.00 16.07 C +ANISOU 381 CE1 TYR A 60 1954 1810 2339 154 -661 181 C +ATOM 382 CE2 TYR A 60 -13.924 8.789 -5.567 1.00 17.80 C +ANISOU 382 CE2 TYR A 60 2249 2078 2433 401 -767 172 C +ATOM 383 CZ TYR A 60 -12.595 8.982 -5.180 1.00 17.14 C +ANISOU 383 CZ TYR A 60 2164 1858 2491 151 -575 -16 C +ATOM 384 OH TYR A 60 -12.199 8.670 -3.896 1.00 19.94 O +ANISOU 384 OH TYR A 60 2251 2282 3040 28 -1042 260 O +ATOM 385 N ILE A 61 -15.674 7.569 -9.915 1.00 14.03 N +ANISOU 385 N ILE A 61 1777 1593 1957 175 -98 29 N +ATOM 386 CA ILE A 61 -16.456 6.356 -9.618 1.00 12.84 C +ANISOU 386 CA ILE A 61 1641 1440 1796 285 -317 9 C +ATOM 387 C ILE A 61 -16.059 5.165 -10.485 1.00 15.20 C +ANISOU 387 C ILE A 61 2313 1563 1899 405 -125 -11 C +ATOM 388 O ILE A 61 -15.937 4.027 -10.009 1.00 18.05 O +ANISOU 388 O ILE A 61 2814 1904 2137 800 -235 256 O +ATOM 389 CB ILE A 61 -17.969 6.691 -9.788 1.00 13.26 C +ANISOU 389 CB ILE A 61 1530 1412 2096 316 -242 -12 C +ATOM 390 CG1 ILE A 61 -18.430 7.590 -8.639 1.00 15.01 C +ANISOU 390 CG1 ILE A 61 2017 1437 2247 617 -196 29 C +ATOM 391 CG2 ILE A 61 -18.851 5.432 -9.960 1.00 14.62 C +ANISOU 391 CG2 ILE A 61 2056 1471 2028 90 -241 185 C +ATOM 392 CD1 ILE A 61 -19.742 8.318 -8.929 1.00 14.67 C +ANISOU 392 CD1 ILE A 61 1773 1715 2087 648 204 201 C +ATOM 393 N MET A 62 -15.818 5.407 -11.764 1.00 16.49 N +ANISOU 393 N MET A 62 2466 1834 1964 274 -33 -308 N +ATOM 394 CA MET A 62 -15.409 4.306 -12.649 1.00 16.93 C +ANISOU 394 CA MET A 62 2717 1896 1817 785 203 -91 C +ATOM 395 C MET A 62 -14.000 3.792 -12.353 1.00 19.20 C +ANISOU 395 C MET A 62 2879 1753 2664 928 101 -189 C +ATOM 396 O MET A 62 -13.768 2.577 -12.364 1.00 24.13 O +ANISOU 396 O MET A 62 3851 1797 3518 1257 -183 -228 O +ATOM 397 CB MET A 62 -15.533 4.726 -14.136 1.00 18.01 C +ANISOU 397 CB MET A 62 2898 2115 1828 955 -102 -109 C +ATOM 398 CG MET A 62 -16.932 5.133 -14.589 1.00 19.50 C +ANISOU 398 CG MET A 62 2893 1847 2666 363 -573 161 C +ATOM 399 SD MET A 62 -18.184 3.903 -14.223 1.00 22.09 S +ANISOU 399 SD MET A 62 3149 2313 2930 189 4 -46 S +ATOM 400 CE MET A 62 -17.679 2.577 -15.326 1.00 27.05 C +ANISOU 400 CE MET A 62 4079 2362 3835 -901 -616 -1322 C +ATOM 401 N THR A 63 -13.067 4.717 -12.093 1.00 20.09 N +ANISOU 401 N THR A 63 2461 2210 2961 791 117 29 N +ATOM 402 CA THR A 63 -11.663 4.405 -11.797 1.00 23.17 C +ANISOU 402 CA THR A 63 2864 2302 3635 1066 -275 453 C +ATOM 403 C THR A 63 -11.544 3.603 -10.508 1.00 23.62 C +ANISOU 403 C THR A 63 3217 2441 3313 1198 -106 278 C +ATOM 404 O THR A 63 -10.791 2.621 -10.455 1.00 27.28 O +ANISOU 404 O THR A 63 3342 2841 4181 1525 43 550 O +ATOM 405 CB THR A 63 -10.803 5.704 -11.716 1.00 25.07 C +ANISOU 405 CB THR A 63 2627 3021 3877 483 -254 360 C +ATOM 406 OG1 THR A 63 -10.809 6.342 -12.998 1.00 29.29 O +ANISOU 406 OG1 THR A 63 3226 3413 4489 -41 174 668 O +ATOM 407 CG2 THR A 63 -9.360 5.423 -11.332 1.00 32.50 C +ANISOU 407 CG2 THR A 63 2955 3674 5718 995 -330 758 C +ATOM 408 N LYS A 64 -12.298 3.998 -9.484 1.00 22.91 N +ANISOU 408 N LYS A 64 2718 2620 3365 632 33 397 N +ATOM 409 CA LYS A 64 -12.250 3.308 -8.193 1.00 22.69 C +ANISOU 409 CA LYS A 64 2380 2604 3634 919 -535 474 C +ATOM 410 C LYS A 64 -13.254 2.155 -8.085 1.00 24.11 C +ANISOU 410 C LYS A 64 3415 2239 3507 629 -428 161 C +ATOM 411 O LYS A 64 -13.351 1.489 -7.033 1.00 23.48 O +ANISOU 411 O LYS A 64 3096 2146 3677 853 -300 427 O +ATOM 412 CB LYS A 64 -12.454 4.288 -7.044 1.00 24.23 C +ANISOU 412 CB LYS A 64 2669 2629 3905 482 -786 213 C +ATOM 413 CG LYS A 64 -11.319 5.278 -6.906 1.00 27.70 C +ANISOU 413 CG LYS A 64 3098 3089 4336 -65 -391 22 C +ATOM 414 CD LYS A 64 -11.369 5.913 -5.546 1.00 30.06 C +ANISOU 414 CD LYS A 64 3760 3493 4168 452 -1117 -35 C +ATOM 415 CE LYS A 64 -10.432 5.268 -4.549 1.00 30.71 C +ANISOU 415 CE LYS A 64 2683 3977 5008 1332 -890 -508 C +ATOM 416 NZ LYS A 64 -10.377 6.203 -3.384 1.00 30.44 N +ANISOU 416 NZ LYS A 64 2493 3995 5078 520 -929 -638 N +ATOM 417 N ARG A 65 -13.981 1.919 -9.168 1.00 20.28 N +ANISOU 417 N ARG A 65 2992 1980 2733 848 94 -3 N +ATOM 418 CA ARG A 65 -14.936 0.795 -9.240 1.00 23.07 C +ANISOU 418 CA ARG A 65 3978 1821 2963 826 45 -149 C +ATOM 419 C ARG A 65 -15.971 0.846 -8.101 1.00 21.86 C +ANISOU 419 C ARG A 65 3539 1844 2921 1158 -206 184 C +ATOM 420 O ARG A 65 -16.259 -0.158 -7.454 1.00 22.60 O +ANISOU 420 O ARG A 65 3718 1970 2897 767 -105 90 O +ATOM 421 CB ARG A 65 -14.188 -0.565 -9.310 1.00 26.46 C +ANISOU 421 CB ARG A 65 3971 2171 3910 1174 384 149 C +ATOM 422 CG ARG A 65 -13.310 -0.709 -10.552 1.00 31.62 C +ANISOU 422 CG ARG A 65 4639 2847 4526 1238 772 -690 C +ATOM 423 CD ARG A 65 -13.025 -2.172 -10.861 0.50 34.39 C +ANISOU 423 CD ARG A 65 5260 3522 4284 2382 883 -1168 C +ATOM 424 NE ARG A 65 -11.811 -2.646 -10.210 0.50 48.05 N +ANISOU 424 NE ARG A 65 5670 5163 7422 1175 -1062 -782 N +ATOM 425 CZ ARG A 65 -11.370 -3.899 -10.287 0.50 52.27 C +ANISOU 425 CZ ARG A 65 7271 5508 7080 1789 -703 -1399 C +ATOM 426 NH1 ARG A 65 -12.053 -4.800 -10.981 0.50 53.80 N +ANISOU 426 NH1 ARG A 65 6732 4659 9047 723 -622 -362 N +ATOM 427 NH2 ARG A 65 -10.253 -4.252 -9.669 0.50 57.07 N +ANISOU 427 NH2 ARG A 65 7837 5859 7987 420 -2027 -733 N +ATOM 428 N LEU A 66 -16.568 2.026 -7.899 1.00 19.58 N +ANISOU 428 N LEU A 66 3316 1729 2393 859 -282 -39 N +ATOM 429 CA LEU A 66 -17.564 2.217 -6.852 1.00 15.96 C +ANISOU 429 CA LEU A 66 2596 1459 2009 525 -547 -341 C +ATOM 430 C LEU A 66 -18.941 1.808 -7.371 1.00 17.95 C +ANISOU 430 C LEU A 66 2784 2281 1754 543 -954 -39 C +ATOM 431 O LEU A 66 -19.939 1.920 -6.663 1.00 21.37 O +ANISOU 431 O LEU A 66 2939 2809 2369 -176 -674 -980 O +ATOM 432 CB LEU A 66 -17.580 3.691 -6.334 1.00 16.49 C +ANISOU 432 CB LEU A 66 2614 1161 2487 32 -766 25 C +ATOM 433 CG LEU A 66 -16.209 4.221 -5.858 1.00 16.00 C +ANISOU 433 CG LEU A 66 2440 1496 2141 214 -885 88 C +ATOM 434 CD1 LEU A 66 -16.339 5.660 -5.345 1.00 18.27 C +ANISOU 434 CD1 LEU A 66 2952 1914 2074 446 -479 -351 C +ATOM 435 CD2 LEU A 66 -15.674 3.276 -4.787 1.00 17.28 C +ANISOU 435 CD2 LEU A 66 2456 1631 2475 641 -914 72 C +ATOM 436 N TYR A 67 -18.996 1.400 -8.641 1.00 20.02 N +ANISOU 436 N TYR A 67 3142 2087 2375 659 -1008 -912 N +ATOM 437 CA TYR A 67 -20.209 0.799 -9.227 1.00 20.32 C +ANISOU 437 CA TYR A 67 3519 1937 2263 -104 -671 -478 C +ATOM 438 C TYR A 67 -20.465 -0.660 -8.739 1.00 21.05 C +ANISOU 438 C TYR A 67 3371 1913 2714 516 -686 -211 C +ATOM 439 O TYR A 67 -19.565 -1.302 -8.178 1.00 26.68 O +ANISOU 439 O TYR A 67 4605 2252 3279 1189 -1428 -832 O +ATOM 440 CB TYR A 67 -20.136 0.891 -10.757 1.00 20.67 C +ANISOU 440 CB TYR A 67 3548 1916 2390 663 -798 -199 C +ATOM 441 CG TYR A 67 -18.927 0.229 -11.390 1.00 22.02 C +ANISOU 441 CG TYR A 67 3598 2236 2531 794 -1081 -177 C +ATOM 442 CD1 TYR A 67 -18.889 -1.158 -11.571 1.00 22.55 C +ANISOU 442 CD1 TYR A 67 3062 2226 3279 1180 -1155 -750 C +ATOM 443 CD2 TYR A 67 -17.853 0.977 -11.841 1.00 24.01 C +ANISOU 443 CD2 TYR A 67 3562 2523 3037 730 -450 2 C +ATOM 444 CE1 TYR A 67 -17.804 -1.777 -12.158 1.00 26.76 C +ANISOU 444 CE1 TYR A 67 3576 3301 3290 631 -822 -1900 C +ATOM 445 CE2 TYR A 67 -16.749 0.355 -12.443 1.00 31.02 C +ANISOU 445 CE2 TYR A 67 4358 2974 4454 689 148 -719 C +ATOM 446 CZ TYR A 67 -16.744 -1.021 -12.604 1.00 26.64 C +ANISOU 446 CZ TYR A 67 3962 2826 3333 1129 -376 -471 C +ATOM 447 OH TYR A 67 -15.684 -1.695 -13.181 1.00 33.31 O +ANISOU 447 OH TYR A 67 4358 4941 3355 1515 -567 -968 O +ATOM 448 N ASP A 68 -21.681 -1.176 -8.977 1.00 23.68 N +ANISOU 448 N ASP A 68 4166 1926 2902 115 -975 -441 N +ATOM 449 CA ASP A 68 -22.049 -2.567 -8.656 1.00 26.24 C +ANISOU 449 CA ASP A 68 4985 2171 2813 -127 -609 -260 C +ATOM 450 C ASP A 68 -22.565 -3.220 -9.909 1.00 21.14 C +ANISOU 450 C ASP A 68 4024 1487 2519 487 -390 -315 C +ATOM 451 O ASP A 68 -23.507 -2.711 -10.473 1.00 23.87 O +ANISOU 451 O ASP A 68 3685 2105 3279 701 -648 -803 O +ATOM 452 CB ASP A 68 -23.194 -2.643 -7.624 1.00 27.35 C +ANISOU 452 CB ASP A 68 5136 2699 2556 612 -643 -34 C +ATOM 453 CG ASP A 68 -23.656 -4.095 -7.381 1.00 28.91 C +ANISOU 453 CG ASP A 68 4378 3680 2924 167 -172 1498 C +ATOM 454 OD1 ASP A 68 -22.810 -4.920 -6.969 0.50 29.10 O +ANISOU 454 OD1 ASP A 68 6490 2135 2429 1394 1085 1135 O +ATOM 455 OD2 ASP A 68 -24.843 -4.431 -7.596 0.50 31.73 O +ANISOU 455 OD2 ASP A 68 5345 2281 4428 -910 -1486 554 O +ATOM 456 N ALA A 69 -21.973 -4.334 -10.356 1.00 20.92 N +ANISOU 456 N ALA A 69 4309 1504 2136 325 -208 -234 N +ATOM 457 CA ALA A 69 -22.403 -4.944 -11.636 1.00 22.12 C +ANISOU 457 CA ALA A 69 4228 1638 2537 587 -232 -843 C +ATOM 458 C ALA A 69 -23.878 -5.384 -11.702 1.00 24.70 C +ANISOU 458 C ALA A 69 4382 2144 2858 600 -430 -374 C +ATOM 459 O ALA A 69 -24.543 -5.262 -12.775 1.00 29.92 O +ANISOU 459 O ALA A 69 5421 2941 3004 -389 -770 -462 O +ATOM 460 CB ALA A 69 -21.497 -6.123 -11.976 1.00 27.17 C +ANISOU 460 CB ALA A 69 4281 2370 3671 913 323 -1072 C +ATOM 461 N ALA A 70 -24.398 -5.900 -10.584 1.00 26.18 N +ANISOU 461 N ALA A 70 4615 1549 3783 77 737 -867 N +ATOM 462 CA ALA A 70 -25.763 -6.488 -10.600 1.00 23.96 C +ANISOU 462 CA ALA A 70 4699 2160 2245 -41 -730 -170 C +ATOM 463 C ALA A 70 -26.882 -5.450 -10.470 1.00 24.64 C +ANISOU 463 C ALA A 70 4618 2860 1883 226 -639 -169 C +ATOM 464 O ALA A 70 -27.924 -5.597 -11.104 1.00 31.81 O +ANISOU 464 O ALA A 70 5009 3496 3582 528 -977 -1001 O +ATOM 465 CB ALA A 70 -25.901 -7.587 -9.548 1.00 28.26 C +ANISOU 465 CB ALA A 70 4670 2837 3230 -57 241 504 C +ATOM 466 N GLN A 71 -26.648 -4.397 -9.679 1.00 27.52 N +ANISOU 466 N GLN A 71 5126 1746 3584 -307 1023 -144 N +ATOM 467 CA GLN A 71 -27.596 -3.313 -9.530 1.00 23.82 C +ANISOU 467 CA GLN A 71 3924 2035 3090 -391 -363 -180 C +ATOM 468 C GLN A 71 -26.814 -2.001 -9.779 1.00 21.82 C +ANISOU 468 C GLN A 71 4194 1619 2478 51 -312 293 C +ATOM 469 O GLN A 71 -26.339 -1.283 -8.854 1.00 21.85 O +ANISOU 469 O GLN A 71 3917 2424 1960 143 -185 272 O +ATOM 470 CB GLN A 71 -28.248 -3.349 -8.142 1.00 34.25 C +ANISOU 470 CB GLN A 71 5823 3563 3626 560 606 -461 C +ATOM 471 CG GLN A 71 -29.470 -2.440 -7.994 1.00 27.96 C +ANISOU 471 CG GLN A 71 4805 2594 3224 -446 593 -199 C +ATOM 472 CD GLN A 71 -30.317 -2.816 -6.787 1.00 36.46 C +ANISOU 472 CD GLN A 71 4884 5458 3509 -1300 -11 1338 C +ATOM 473 OE1 GLN A 71 -31.549 -2.749 -6.838 1.00 39.21 O +ANISOU 473 OE1 GLN A 71 4770 5783 4345 -292 -139 -29 O +ATOM 474 NE2 GLN A 71 -29.660 -3.206 -5.694 1.00 27.43 N +ANISOU 474 NE2 GLN A 71 3592 2979 3850 -892 -538 -149 N +ATOM 475 N GLN A 72 -26.679 -1.712 -11.064 1.00 18.12 N +ANISOU 475 N GLN A 72 3284 1375 2224 -29 -210 -122 N +ATOM 476 CA GLN A 72 -25.805 -0.675 -11.530 1.00 20.42 C +ANISOU 476 CA GLN A 72 4170 1572 2015 -461 -165 -435 C +ATOM 477 C GLN A 72 -26.204 0.718 -11.130 1.00 18.32 C +ANISOU 477 C GLN A 72 3137 1653 2168 -236 -474 -528 C +ATOM 478 O GLN A 72 -25.353 1.620 -11.166 1.00 18.89 O +ANISOU 478 O GLN A 72 3258 1789 2129 -378 -712 -220 O +ATOM 479 CB GLN A 72 -25.806 -0.725 -13.052 1.00 20.88 C +ANISOU 479 CB GLN A 72 3650 2365 1915 -214 -290 -757 C +ATOM 480 CG GLN A 72 -24.930 -1.823 -13.491 1.00 27.09 C +ANISOU 480 CG GLN A 72 4169 4069 2055 542 -238 -1078 C +ATOM 481 CD GLN A 72 -24.862 -1.876 -14.986 1.00 20.01 C +ANISOU 481 CD GLN A 72 2677 3060 1867 408 -744 -451 C +ATOM 482 OE1 GLN A 72 -24.706 -0.850 -15.682 1.00 18.80 O +ANISOU 482 OE1 GLN A 72 2202 2994 1945 683 -620 -561 O +ATOM 483 NE2 GLN A 72 -24.962 -3.062 -15.480 1.00 20.84 N +ANISOU 483 NE2 GLN A 72 2295 2931 2692 -263 -177 -371 N +ATOM 484 N HIS A 73 -27.467 0.898 -10.733 1.00 17.02 N +ANISOU 484 N HIS A 73 3161 1443 1862 -158 -859 -393 N +ATOM 485 CA HIS A 73 -27.967 2.238 -10.419 1.00 16.27 C +ANISOU 485 CA HIS A 73 2652 1468 2059 -46 -935 -206 C +ATOM 486 C HIS A 73 -27.558 2.762 -9.071 1.00 14.57 C +ANISOU 486 C HIS A 73 2313 1411 1811 -132 -746 82 C +ATOM 487 O HIS A 73 -27.869 3.912 -8.748 1.00 15.51 O +ANISOU 487 O HIS A 73 2853 1455 1583 -137 -796 3 O +ATOM 488 CB HIS A 73 -29.494 2.352 -10.637 1.00 20.23 C +ANISOU 488 CB HIS A 73 2566 2588 2532 -326 -986 -1 C +ATOM 489 CG HIS A 73 -30.325 1.984 -9.435 1.00 18.02 C +ANISOU 489 CG HIS A 73 2817 1764 2263 -623 -967 -586 C +ATOM 490 ND1 HIS A 73 -30.735 0.701 -9.187 1.00 22.87 N +ANISOU 490 ND1 HIS A 73 3261 2164 3264 -968 -239 -350 N +ATOM 491 CD2 HIS A 73 -30.843 2.773 -8.405 1.00 16.23 C +ANISOU 491 CD2 HIS A 73 2448 1822 1894 -349 -640 -13 C +ATOM 492 CE1 HIS A 73 -31.467 0.686 -8.050 1.00 25.89 C +ANISOU 492 CE1 HIS A 73 3474 2759 3602 -874 -102 -262 C +ATOM 493 NE2 HIS A 73 -31.521 1.954 -7.567 1.00 23.21 N +ANISOU 493 NE2 HIS A 73 3345 2201 3271 -821 -304 300 N +ATOM 494 N ILE A 74 -26.862 1.941 -8.274 1.00 13.68 N +ANISOU 494 N ILE A 74 2425 1315 1456 -85 -778 -49 N +ATOM 495 CA ILE A 74 -26.412 2.372 -6.920 1.00 13.35 C +ANISOU 495 CA ILE A 74 2553 941 1578 19 -726 -234 C +ATOM 496 C ILE A 74 -24.900 2.455 -6.887 1.00 14.64 C +ANISOU 496 C ILE A 74 2657 1338 1565 78 -613 -47 C +ATOM 497 O ILE A 74 -24.221 1.482 -7.265 1.00 16.13 O +ANISOU 497 O ILE A 74 2519 1609 1998 207 -519 -303 O +ATOM 498 CB ILE A 74 -26.932 1.435 -5.803 1.00 14.77 C +ANISOU 498 CB ILE A 74 2485 1520 1607 -93 -774 -118 C +ATOM 499 CG1 ILE A 74 -28.469 1.325 -5.878 1.00 17.92 C +ANISOU 499 CG1 ILE A 74 2570 1774 2464 -126 -164 131 C +ATOM 500 CG2 ILE A 74 -26.420 1.885 -4.443 1.00 14.95 C +ANISOU 500 CG2 ILE A 74 2842 1342 1494 132 -694 -74 C +ATOM 501 CD1 ILE A 74 -29.062 0.269 -4.976 1.00 24.06 C +ANISOU 501 CD1 ILE A 74 3516 2583 3040 -1192 -292 381 C +ATOM 502 N VAL A 75 -24.381 3.606 -6.462 1.00 14.11 N +ANISOU 502 N VAL A 75 2287 1496 1577 -138 -576 233 N +ATOM 503 CA VAL A 75 -22.950 3.793 -6.231 1.00 13.66 C +ANISOU 503 CA VAL A 75 2165 1437 1586 -30 -588 47 C +ATOM 504 C VAL A 75 -22.680 3.519 -4.756 1.00 13.20 C +ANISOU 504 C VAL A 75 2053 1251 1709 379 -561 -61 C +ATOM 505 O VAL A 75 -23.403 4.006 -3.892 1.00 15.17 O +ANISOU 505 O VAL A 75 2698 1562 1503 325 -443 -101 O +ATOM 506 CB VAL A 75 -22.533 5.239 -6.620 1.00 15.13 C +ANISOU 506 CB VAL A 75 2349 1846 1554 -417 -529 246 C +ATOM 507 CG1 VAL A 75 -21.123 5.558 -6.112 1.00 15.29 C +ANISOU 507 CG1 VAL A 75 2219 1739 1851 -234 -687 208 C +ATOM 508 CG2 VAL A 75 -22.655 5.435 -8.141 1.00 18.88 C +ANISOU 508 CG2 VAL A 75 2591 3076 1504 -163 -784 177 C +ATOM 509 N TYR A 76 -21.638 2.734 -4.494 1.00 11.99 N +ANISOU 509 N TYR A 76 2133 1031 1391 302 -983 69 N +ATOM 510 CA TYR A 76 -21.221 2.385 -3.156 1.00 11.81 C +ANISOU 510 CA TYR A 76 2292 972 1220 114 -825 -49 C +ATOM 511 C TYR A 76 -19.930 3.112 -2.789 1.00 14.91 C +ANISOU 511 C TYR A 76 2316 1416 1933 23 -613 -69 C +ATOM 512 O TYR A 76 -18.860 2.823 -3.347 1.00 18.23 O +ANISOU 512 O TYR A 76 2400 2319 2204 -18 -341 -452 O +ATOM 513 CB TYR A 76 -21.059 0.852 -3.093 1.00 15.72 C +ANISOU 513 CB TYR A 76 2802 979 2190 131 -865 130 C +ATOM 514 CG TYR A 76 -22.388 0.162 -3.225 1.00 16.34 C +ANISOU 514 CG TYR A 76 2921 1369 1919 77 -694 -161 C +ATOM 515 CD1 TYR A 76 -22.895 -0.212 -4.484 1.00 17.33 C +ANISOU 515 CD1 TYR A 76 2951 1246 2386 194 -1111 -334 C +ATOM 516 CD2 TYR A 76 -23.188 -0.039 -2.099 1.00 17.43 C +ANISOU 516 CD2 TYR A 76 2808 1571 2243 268 -586 253 C +ATOM 517 CE1 TYR A 76 -24.127 -0.820 -4.585 1.00 18.07 C +ANISOU 517 CE1 TYR A 76 2918 1221 2727 175 -491 -183 C +ATOM 518 CE2 TYR A 76 -24.432 -0.639 -2.198 1.00 18.56 C +ANISOU 518 CE2 TYR A 76 3010 1598 2443 100 -514 -270 C +ATOM 519 CZ TYR A 76 -24.912 -0.981 -3.440 1.00 17.70 C +ANISOU 519 CZ TYR A 76 3260 984 2478 -375 -675 -125 C +ATOM 520 OH TYR A 76 -26.158 -1.565 -3.537 1.00 20.37 O +ANISOU 520 OH TYR A 76 3070 1413 3255 -198 -1464 -368 O +ATOM 521 N CYS A 77 -20.028 4.040 -1.841 1.00 15.82 N +ANISOU 521 N CYS A 77 2615 1517 1878 -184 -714 -94 N +ATOM 522 CA CYS A 77 -18.931 4.955 -1.533 1.00 14.86 C +ANISOU 522 CA CYS A 77 2364 1342 1937 4 -575 -221 C +ATOM 523 C CYS A 77 -18.537 4.960 -0.053 1.00 16.39 C +ANISOU 523 C CYS A 77 2710 1456 2060 -54 -694 -73 C +ATOM 524 O CYS A 77 -17.921 5.914 0.414 1.00 18.38 O +ANISOU 524 O CYS A 77 2971 1266 2744 126 -1071 -304 O +ATOM 525 CB CYS A 77 -19.265 6.370 -2.027 1.00 15.87 C +ANISOU 525 CB CYS A 77 2293 1598 2138 -134 -694 167 C +ATOM 526 SG CYS A 77 -20.893 6.969 -1.532 1.00 16.49 S +ANISOU 526 SG CYS A 77 2678 1571 2014 -122 -466 93 S +ATOM 527 N SER A 78 -18.871 3.893 0.677 1.00 17.72 N +ANISOU 527 N SER A 78 3275 1428 2026 113 -673 16 N +ATOM 528 CA ASER A 78 -18.465 3.780 2.073 0.50 20.01 C +ANISOU 528 CA ASER A 78 3718 1592 2290 -310 -1099 228 C +ATOM 529 CA BSER A 78 -18.467 3.737 2.079 0.50 20.73 C +ANISOU 529 CA BSER A 78 3733 1783 2359 -345 -1170 341 C +ATOM 530 C SER A 78 -16.934 3.634 2.138 1.00 22.15 C +ANISOU 530 C SER A 78 3850 1847 2717 -20 -1014 278 C +ATOM 531 O SER A 78 -16.298 3.086 1.211 1.00 27.74 O +ANISOU 531 O SER A 78 3617 2681 4241 642 -574 245 O +ATOM 532 CB ASER A 78 -19.146 2.573 2.703 0.50 22.23 C +ANISOU 532 CB ASER A 78 4755 2262 1427 -763 -1300 520 C +ATOM 533 CB BSER A 78 -19.141 2.494 2.702 0.50 26.68 C +ANISOU 533 CB BSER A 78 4930 2324 2880 -976 -1477 787 C +ATOM 534 OG ASER A 78 -18.658 1.427 2.060 0.50 23.99 O +ANISOU 534 OG ASER A 78 3852 1605 3657 -672 -954 862 O +ATOM 535 OG BSER A 78 -19.215 2.576 4.123 0.50 29.11 O +ANISOU 535 OG BSER A 78 4423 3762 2872 -848 -1838 1860 O +ATOM 536 N ASN A 79 -16.324 4.145 3.198 1.00 24.79 N +ANISOU 536 N ASN A 79 4076 2690 2651 -445 -1348 1043 N +ATOM 537 CA ASN A 79 -14.856 4.069 3.314 1.00 26.09 C +ANISOU 537 CA ASN A 79 4008 2834 3069 127 -1118 626 C +ATOM 538 C ASN A 79 -14.099 4.685 2.136 1.00 27.24 C +ANISOU 538 C ASN A 79 4063 2723 3562 455 -1022 1190 C +ATOM 539 O ASN A 79 -13.000 4.238 1.774 1.00 28.62 O +ANISOU 539 O ASN A 79 4290 2735 3850 450 -681 1801 O +ATOM 540 CB ASN A 79 -14.418 2.617 3.499 1.00 29.79 C +ANISOU 540 CB ASN A 79 4166 3091 4059 152 -878 1557 C +ATOM 541 CG ASN A 79 -14.801 2.069 4.856 1.00 32.67 C +ANISOU 541 CG ASN A 79 4718 4131 3565 609 -640 1133 C +ATOM 542 OD1 ASN A 79 -14.939 0.869 5.023 1.00 38.45 O +ANISOU 542 OD1 ASN A 79 5561 4109 4939 328 372 670 O +ATOM 543 ND2 ASN A 79 -14.983 2.957 5.834 1.00 38.42 N +ANISOU 543 ND2 ASN A 79 6733 4376 3487 -1012 -863 682 N +ATOM 544 N ASP A 80 -14.712 5.690 1.519 1.00 22.58 N +ANISOU 544 N ASP A 80 3879 1766 2932 278 -562 692 N +ATOM 545 CA ASP A 80 -14.081 6.437 0.446 1.00 19.78 C +ANISOU 545 CA ASP A 80 2797 1937 2779 -53 -1014 688 C +ATOM 546 C ASP A 80 -14.285 7.924 0.710 1.00 19.05 C +ANISOU 546 C ASP A 80 2710 2127 2399 257 -917 508 C +ATOM 547 O ASP A 80 -15.301 8.324 1.308 1.00 18.93 O +ANISOU 547 O ASP A 80 2662 1808 2721 333 -996 533 O +ATOM 548 CB ASP A 80 -14.696 6.041 -0.896 1.00 20.37 C +ANISOU 548 CB ASP A 80 2918 2198 2623 -87 -528 212 C +ATOM 549 CG ASP A 80 -13.897 6.577 -2.080 1.00 21.34 C +ANISOU 549 CG ASP A 80 3104 2099 2904 260 -332 319 C +ATOM 550 OD1 ASP A 80 -13.058 5.828 -2.599 1.00 23.73 O +ANISOU 550 OD1 ASP A 80 2848 2586 3582 614 31 658 O +ATOM 551 OD2 ASP A 80 -14.088 7.747 -2.454 1.00 21.93 O +ANISOU 551 OD2 ASP A 80 3127 2293 2910 265 -783 654 O +ATOM 552 N LEU A 81 -13.326 8.746 0.289 1.00 19.99 N +ANISOU 552 N LEU A 81 2877 1754 2964 39 -1287 653 N +ATOM 553 CA LEU A 81 -13.499 10.214 0.393 1.00 20.55 C +ANISOU 553 CA LEU A 81 2669 1805 3332 -12 -1143 656 C +ATOM 554 C LEU A 81 -14.852 10.651 -0.139 1.00 17.26 C +ANISOU 554 C LEU A 81 2379 1957 2220 -50 -732 169 C +ATOM 555 O LEU A 81 -15.494 11.509 0.445 1.00 18.28 O +ANISOU 555 O LEU A 81 2154 1892 2898 148 -851 291 O +ATOM 556 CB LEU A 81 -12.389 10.975 -0.352 1.00 21.57 C +ANISOU 556 CB LEU A 81 1940 2095 4160 54 -722 472 C +ATOM 557 CG LEU A 81 -12.421 12.518 -0.302 1.00 24.33 C +ANISOU 557 CG LEU A 81 2770 2204 4268 389 -726 701 C +ATOM 558 CD1 LEU A 81 -12.406 13.031 1.119 1.00 26.74 C +ANISOU 558 CD1 LEU A 81 3220 2517 4420 -4 -1081 -305 C +ATOM 559 CD2 LEU A 81 -11.242 13.088 -1.055 1.00 28.45 C +ANISOU 559 CD2 LEU A 81 2151 3186 5472 342 -527 598 C +ATOM 560 N LEU A 82 -15.302 10.026 -1.223 1.00 14.83 N +ANISOU 560 N LEU A 82 1952 1383 2298 -4 -883 202 N +ATOM 561 CA LEU A 82 -16.596 10.436 -1.818 1.00 14.98 C +ANISOU 561 CA LEU A 82 2028 1492 2169 89 -873 192 C +ATOM 562 C LEU A 82 -17.738 10.280 -0.820 1.00 15.04 C +ANISOU 562 C LEU A 82 2382 1424 1906 70 -701 201 C +ATOM 563 O LEU A 82 -18.598 11.164 -0.707 1.00 15.06 O +ANISOU 563 O LEU A 82 2302 1543 1873 114 -865 -14 O +ATOM 564 CB LEU A 82 -16.912 9.658 -3.108 1.00 12.91 C +ANISOU 564 CB LEU A 82 1548 1646 1708 143 -626 284 C +ATOM 565 CG LEU A 82 -18.230 10.005 -3.793 1.00 13.76 C +ANISOU 565 CG LEU A 82 1851 1427 1949 354 -809 287 C +ATOM 566 CD1 LEU A 82 -18.331 11.492 -4.103 1.00 14.36 C +ANISOU 566 CD1 LEU A 82 2235 1473 1748 445 -233 475 C +ATOM 567 CD2 LEU A 82 -18.438 9.158 -5.033 1.00 18.48 C +ANISOU 567 CD2 LEU A 82 2735 2224 2060 272 -408 -223 C +ATOM 568 N GLY A 83 -17.770 9.150 -0.111 1.00 14.64 N +ANISOU 568 N GLY A 83 2376 1548 1636 -82 -812 260 N +ATOM 569 CA GLY A 83 -18.803 8.969 0.942 1.00 16.19 C +ANISOU 569 CA GLY A 83 2778 1321 2050 -75 -374 20 C +ATOM 570 C GLY A 83 -18.697 9.963 2.096 1.00 17.03 C +ANISOU 570 C GLY A 83 2719 1787 1965 -40 -733 -58 C +ATOM 571 O GLY A 83 -19.717 10.415 2.621 1.00 17.32 O +ANISOU 571 O GLY A 83 2939 1704 1935 10 -558 -123 O +ATOM 572 N ASP A 84 -17.483 10.345 2.481 1.00 15.65 N +ANISOU 572 N ASP A 84 2870 1354 1721 162 -1016 233 N +ATOM 573 CA ASP A 84 -17.344 11.371 3.537 1.00 17.85 C +ANISOU 573 CA ASP A 84 3044 1408 2328 -64 -1349 34 C +ATOM 574 C ASP A 84 -17.897 12.720 3.055 1.00 17.36 C +ANISOU 574 C ASP A 84 2853 1786 1955 284 -761 277 C +ATOM 575 O ASP A 84 -18.555 13.442 3.812 1.00 19.45 O +ANISOU 575 O ASP A 84 3341 1998 2050 232 -749 -203 O +ATOM 576 CB ASP A 84 -15.879 11.530 3.981 1.00 20.71 C +ANISOU 576 CB ASP A 84 2882 1917 3070 -40 -1501 435 C +ATOM 577 CG ASP A 84 -15.271 10.247 4.563 1.00 26.17 C +ANISOU 577 CG ASP A 84 3766 2151 4026 330 -1305 686 C +ATOM 578 OD1 ASP A 84 -16.004 9.340 5.039 0.50 23.74 O +ANISOU 578 OD1 ASP A 84 4590 1929 2501 -178 -2106 767 O +ATOM 579 OD2 ASP A 84 -14.029 10.172 4.541 0.50 28.13 O +ANISOU 579 OD2 ASP A 84 3394 2062 5229 127 -3050 144 O +ATOM 580 N LEU A 85 -17.641 13.056 1.793 1.00 15.39 N +ANISOU 580 N LEU A 85 2415 1613 1817 73 -1139 454 N +ATOM 581 CA LEU A 85 -18.120 14.344 1.226 1.00 15.37 C +ANISOU 581 CA LEU A 85 2465 1356 2016 2 -680 364 C +ATOM 582 C LEU A 85 -19.637 14.381 1.005 1.00 15.74 C +ANISOU 582 C LEU A 85 2474 1493 2014 -23 -560 -133 C +ATOM 583 O LEU A 85 -20.271 15.391 1.230 1.00 14.88 O +ANISOU 583 O LEU A 85 2367 1315 1970 -146 -485 154 O +ATOM 584 CB LEU A 85 -17.406 14.633 -0.082 1.00 16.72 C +ANISOU 584 CB LEU A 85 2113 1782 2457 -16 -568 552 C +ATOM 585 CG LEU A 85 -15.884 14.826 0.086 1.00 18.12 C +ANISOU 585 CG LEU A 85 2085 2388 2410 -203 -650 219 C +ATOM 586 CD1 LEU A 85 -15.345 15.247 -1.271 1.00 20.19 C +ANISOU 586 CD1 LEU A 85 2474 2542 2655 674 -132 696 C +ATOM 587 CD2 LEU A 85 -15.455 15.834 1.171 1.00 20.90 C +ANISOU 587 CD2 LEU A 85 2754 2546 2640 -17 -931 88 C +ATOM 588 N PHE A 86 -20.204 13.273 0.509 1.00 14.45 N +ANISOU 588 N PHE A 86 2324 1302 1863 -84 -796 194 N +ATOM 589 CA PHE A 86 -21.632 13.176 0.282 1.00 15.31 C +ANISOU 589 CA PHE A 86 2453 1672 1688 -375 -556 55 C +ATOM 590 C PHE A 86 -22.423 12.845 1.561 1.00 17.39 C +ANISOU 590 C PHE A 86 2927 1893 1784 -457 -517 255 C +ATOM 591 O PHE A 86 -23.637 13.079 1.611 1.00 17.93 O +ANISOU 591 O PHE A 86 3063 2006 1743 190 -208 -238 O +ATOM 592 CB PHE A 86 -21.905 12.136 -0.789 1.00 14.38 C +ANISOU 592 CB PHE A 86 2206 1837 1417 -80 -689 7 C +ATOM 593 CG PHE A 86 -21.776 12.655 -2.217 1.00 13.84 C +ANISOU 593 CG PHE A 86 2211 1490 1558 240 -648 184 C +ATOM 594 CD1 PHE A 86 -21.137 13.866 -2.510 1.00 16.23 C +ANISOU 594 CD1 PHE A 86 2431 1752 1982 264 -395 497 C +ATOM 595 CD2 PHE A 86 -22.303 11.916 -3.270 1.00 15.03 C +ANISOU 595 CD2 PHE A 86 2236 1706 1768 85 -504 -98 C +ATOM 596 CE1 PHE A 86 -21.052 14.340 -3.829 1.00 13.83 C +ANISOU 596 CE1 PHE A 86 1983 1666 1603 302 -315 60 C +ATOM 597 CE2 PHE A 86 -22.209 12.372 -4.581 1.00 14.97 C +ANISOU 597 CE2 PHE A 86 2168 1552 1968 1 -381 156 C +ATOM 598 CZ PHE A 86 -21.582 13.588 -4.865 1.00 14.18 C +ANISOU 598 CZ PHE A 86 2064 1475 1848 74 -244 39 C +ATOM 599 N GLY A 87 -21.735 12.308 2.579 1.00 16.12 N +ANISOU 599 N GLY A 87 3097 1459 1566 -84 -581 -232 N +ATOM 600 CA GLY A 87 -22.375 12.011 3.861 1.00 17.82 C +ANISOU 600 CA GLY A 87 3235 1528 2007 -235 -320 -151 C +ATOM 601 C GLY A 87 -23.225 10.765 3.843 1.00 18.28 C +ANISOU 601 C GLY A 87 3323 1583 2037 -287 -48 -247 C +ATOM 602 O GLY A 87 -24.099 10.608 4.714 1.00 20.48 O +ANISOU 602 O GLY A 87 3571 2216 1993 -467 52 -412 O +ATOM 603 N VAL A 88 -22.968 9.885 2.863 1.00 15.30 N +ANISOU 603 N VAL A 88 2845 1381 1584 -508 -353 -116 N +ATOM 604 CA VAL A 88 -23.773 8.627 2.687 1.00 13.90 C +ANISOU 604 CA VAL A 88 2806 1051 1423 -227 -520 -207 C +ATOM 605 C VAL A 88 -22.862 7.467 2.278 1.00 14.17 C +ANISOU 605 C VAL A 88 2904 1236 1242 76 -353 275 C +ATOM 606 O VAL A 88 -21.812 7.707 1.661 1.00 17.48 O +ANISOU 606 O VAL A 88 2916 1515 2207 -267 -316 -74 O +ATOM 607 CB VAL A 88 -24.909 8.766 1.611 1.00 15.42 C +ANISOU 607 CB VAL A 88 2593 1790 1473 24 -374 66 C +ATOM 608 CG1 VAL A 88 -25.978 9.778 2.033 1.00 20.38 C +ANISOU 608 CG1 VAL A 88 3263 1990 2489 142 -292 -736 C +ATOM 609 CG2 VAL A 88 -24.345 9.158 0.245 1.00 18.44 C +ANISOU 609 CG2 VAL A 88 3145 1911 1950 -407 -4 438 C +ATOM 610 N PRO A 89 -23.236 6.209 2.615 1.00 15.13 N +ANISOU 610 N PRO A 89 2791 1389 1566 -267 -265 -2 N +ATOM 611 CA PRO A 89 -22.436 5.043 2.184 1.00 15.49 C +ANISOU 611 CA PRO A 89 2935 1210 1740 -321 -460 -21 C +ATOM 612 C PRO A 89 -22.804 4.568 0.779 1.00 15.11 C +ANISOU 612 C PRO A 89 2787 1368 1583 12 -580 194 C +ATOM 613 O PRO A 89 -22.081 3.756 0.195 1.00 16.75 O +ANISOU 613 O PRO A 89 2676 1715 1972 -217 -470 190 O +ATOM 614 CB PRO A 89 -22.800 3.975 3.215 1.00 18.14 C +ANISOU 614 CB PRO A 89 3443 1309 2140 -158 -415 237 C +ATOM 615 CG PRO A 89 -24.224 4.327 3.571 1.00 17.94 C +ANISOU 615 CG PRO A 89 3368 1292 2155 -224 33 226 C +ATOM 616 CD PRO A 89 -24.244 5.838 3.626 1.00 17.86 C +ANISOU 616 CD PRO A 89 3362 1327 2095 -621 35 189 C +ATOM 617 N SER A 90 -23.917 5.073 0.241 1.00 14.72 N +ANISOU 617 N SER A 90 2649 1480 1463 -101 -656 -55 N +ATOM 618 CA SER A 90 -24.379 4.691 -1.109 1.00 13.69 C +ANISOU 618 CA SER A 90 2678 1181 1339 -178 -790 307 C +ATOM 619 C SER A 90 -25.396 5.712 -1.570 1.00 14.31 C +ANISOU 619 C SER A 90 2429 1386 1621 -68 -367 275 C +ATOM 620 O SER A 90 -25.974 6.422 -0.746 1.00 16.30 O +ANISOU 620 O SER A 90 2893 1604 1695 -14 -511 -149 O +ATOM 621 CB SER A 90 -25.051 3.287 -1.118 1.00 15.82 C +ANISOU 621 CB SER A 90 2822 1178 2009 -107 -353 251 C +ATOM 622 OG SER A 90 -26.282 3.288 -0.361 1.00 18.72 O +ANISOU 622 OG SER A 90 2880 1657 2574 -334 -486 276 O +ATOM 623 N PHE A 91 -25.619 5.782 -2.883 1.00 14.24 N +ANISOU 623 N PHE A 91 2462 1218 1731 81 -574 329 N +ATOM 624 CA PHE A 91 -26.649 6.671 -3.406 1.00 13.29 C +ANISOU 624 CA PHE A 91 2160 1326 1563 61 -578 116 C +ATOM 625 C PHE A 91 -27.108 6.195 -4.758 1.00 13.41 C +ANISOU 625 C PHE A 91 2030 1408 1657 -41 -401 -159 C +ATOM 626 O PHE A 91 -26.366 5.498 -5.494 1.00 13.72 O +ANISOU 626 O PHE A 91 2062 1199 1951 164 -337 -171 O +ATOM 627 CB PHE A 91 -26.201 8.166 -3.479 1.00 13.47 C +ANISOU 627 CB PHE A 91 2288 1277 1551 90 -389 -190 C +ATOM 628 CG PHE A 91 -25.031 8.432 -4.388 1.00 13.00 C +ANISOU 628 CG PHE A 91 2279 1167 1490 61 -431 161 C +ATOM 629 CD1 PHE A 91 -25.219 8.774 -5.754 1.00 13.71 C +ANISOU 629 CD1 PHE A 91 2702 1164 1343 187 -335 -169 C +ATOM 630 CD2 PHE A 91 -23.720 8.328 -3.900 1.00 15.66 C +ANISOU 630 CD2 PHE A 91 2300 1445 2203 216 -429 9 C +ATOM 631 CE1 PHE A 91 -24.124 9.017 -6.574 1.00 14.41 C +ANISOU 631 CE1 PHE A 91 2175 1372 1928 367 -447 -302 C +ATOM 632 CE2 PHE A 91 -22.625 8.605 -4.717 1.00 14.94 C +ANISOU 632 CE2 PHE A 91 2226 1470 1977 81 -343 -155 C +ATOM 633 CZ PHE A 91 -22.827 8.944 -6.062 1.00 15.42 C +ANISOU 633 CZ PHE A 91 2309 1518 2031 188 -581 -216 C +ATOM 634 N SER A 92 -28.341 6.552 -5.091 1.00 13.72 N +ANISOU 634 N SER A 92 2075 1454 1684 292 -341 -150 N +ATOM 635 CA SER A 92 -28.888 6.206 -6.420 1.00 15.10 C +ANISOU 635 CA SER A 92 2279 1638 1820 -69 -651 78 C +ATOM 636 C SER A 92 -28.495 7.225 -7.498 1.00 15.76 C +ANISOU 636 C SER A 92 2373 1744 1871 142 -177 -71 C +ATOM 637 O SER A 92 -28.685 8.445 -7.323 1.00 15.61 O +ANISOU 637 O SER A 92 2362 1731 1836 15 -288 -226 O +ATOM 638 CB SER A 92 -30.411 6.121 -6.352 1.00 18.24 C +ANISOU 638 CB SER A 92 2181 2475 2274 -122 -675 140 C +ATOM 639 OG SER A 92 -30.934 6.040 -7.673 1.00 17.75 O +ANISOU 639 OG SER A 92 2749 1732 2263 -418 -724 25 O +ATOM 640 N VAL A 93 -27.988 6.728 -8.624 1.00 13.61 N +ANISOU 640 N VAL A 93 2035 1668 1468 -64 -553 -44 N +ATOM 641 CA VAL A 93 -27.641 7.599 -9.764 1.00 13.38 C +ANISOU 641 CA VAL A 93 2108 1333 1641 -13 -528 -61 C +ATOM 642 C VAL A 93 -28.853 8.228 -10.450 1.00 14.84 C +ANISOU 642 C VAL A 93 2291 1463 1884 132 -586 -170 C +ATOM 643 O VAL A 93 -28.687 9.187 -11.224 1.00 17.10 O +ANISOU 643 O VAL A 93 2539 1854 2103 298 -449 126 O +ATOM 644 CB VAL A 93 -26.827 6.821 -10.839 1.00 13.45 C +ANISOU 644 CB VAL A 93 1719 1621 1771 -7 -598 -208 C +ATOM 645 CG1 VAL A 93 -25.540 6.232 -10.223 1.00 17.67 C +ANISOU 645 CG1 VAL A 93 2456 2346 1909 425 -852 231 C +ATOM 646 CG2 VAL A 93 -27.711 5.761 -11.552 1.00 14.97 C +ANISOU 646 CG2 VAL A 93 2338 1503 1848 -73 -681 -319 C +ATOM 647 N LYS A 94 -30.056 7.701 -10.171 1.00 15.50 N +ANISOU 647 N LYS A 94 2090 1574 2226 184 -730 -248 N +ATOM 648 CA LYS A 94 -31.319 8.179 -10.783 1.00 16.46 C +ANISOU 648 CA LYS A 94 2006 1811 2436 293 -583 -63 C +ATOM 649 C LYS A 94 -31.775 9.537 -10.262 1.00 17.56 C +ANISOU 649 C LYS A 94 2446 1838 2385 137 -792 -282 C +ATOM 650 O LYS A 94 -32.550 10.236 -10.931 1.00 20.59 O +ANISOU 650 O LYS A 94 2455 2138 3226 248 -705 155 O +ATOM 651 CB LYS A 94 -32.454 7.152 -10.604 1.00 21.65 C +ANISOU 651 CB LYS A 94 2619 2033 3571 -179 -1220 -285 C +ATOM 652 CG LYS A 94 -32.159 5.748 -11.130 1.00 29.65 C +ANISOU 652 CG LYS A 94 3444 2469 5351 507 -1902 -976 C +ATOM 653 CD LYS A 94 -33.346 4.808 -10.913 1.00 41.63 C +ANISOU 653 CD LYS A 94 4693 3981 7144 -716 -2529 -1126 C +ATOM 654 CE LYS A 94 -33.164 3.456 -11.602 1.00 43.68 C +ANISOU 654 CE LYS A 94 5783 4069 6741 1662 -3316 -799 C +ATOM 655 NZ LYS A 94 -33.112 3.547 -13.097 0.50 46.50 N +ANISOU 655 NZ LYS A 94 8149 2909 6608 4006 -5758 -1762 N +ATOM 656 N GLU A 95 -31.274 9.896 -9.083 1.00 15.63 N +ANISOU 656 N GLU A 95 2317 1496 2124 118 -379 -73 N +ATOM 657 CA AGLU A 95 -31.741 11.049 -8.316 0.50 16.75 C +ANISOU 657 CA AGLU A 95 2505 1552 2305 -124 90 -91 C +ATOM 658 CA BGLU A 95 -31.772 11.063 -8.359 0.50 17.30 C +ANISOU 658 CA BGLU A 95 2613 1542 2416 -159 135 -148 C +ATOM 659 C GLU A 95 -30.867 12.271 -8.600 1.00 14.34 C +ANISOU 659 C GLU A 95 1978 1476 1994 32 -375 203 C +ATOM 660 O GLU A 95 -30.044 12.669 -7.742 1.00 15.58 O +ANISOU 660 O GLU A 95 2422 1455 2042 -27 -224 -43 O +ATOM 661 CB AGLU A 95 -31.679 10.704 -6.820 0.50 18.93 C +ANISOU 661 CB AGLU A 95 2681 2065 2443 -689 49 281 C +ATOM 662 CB BGLU A 95 -31.912 10.725 -6.872 0.50 21.65 C +ANISOU 662 CB BGLU A 95 3156 2472 2596 -748 90 289 C +ATOM 663 CG AGLU A 95 -32.551 9.525 -6.402 0.50 20.54 C +ANISOU 663 CG AGLU A 95 2690 1665 3447 -401 -117 535 C +ATOM 664 CG BGLU A 95 -32.982 9.672 -6.594 0.50 26.24 C +ANISOU 664 CG BGLU A 95 3659 2174 4133 -932 21 5 C +ATOM 665 CD AGLU A 95 -34.030 9.835 -6.513 0.50 23.57 C +ANISOU 665 CD AGLU A 95 2538 2288 4127 -513 -10 143 C +ATOM 666 CD BGLU A 95 -33.057 9.296 -5.134 0.50 33.65 C +ANISOU 666 CD BGLU A 95 4974 3586 4224 -451 541 230 C +ATOM 667 OE1AGLU A 95 -34.408 11.037 -6.440 0.50 22.49 O +ANISOU 667 OE1AGLU A 95 2547 2223 3775 -427 23 876 O +ATOM 668 OE1BGLU A 95 -32.018 8.877 -4.586 0.50 42.34 O +ANISOU 668 OE1BGLU A 95 5693 5458 4933 1057 630 -263 O +ATOM 669 OE2AGLU A 95 -34.809 8.869 -6.672 0.50 23.79 O +ANISOU 669 OE2AGLU A 95 2137 2822 4080 -611 -111 28 O +ATOM 670 OE2BGLU A 95 -34.149 9.412 -4.536 0.50 40.91 O +ANISOU 670 OE2BGLU A 95 4954 3966 6624 284 882 -372 O +ATOM 671 N HIS A 96 -31.012 12.866 -9.800 1.00 12.99 N +ANISOU 671 N HIS A 96 1944 1216 1776 -169 -455 -142 N +ATOM 672 CA HIS A 96 -30.008 13.901 -10.209 1.00 12.81 C +ANISOU 672 CA HIS A 96 1949 1339 1578 -167 -195 -144 C +ATOM 673 C HIS A 96 -30.061 15.120 -9.321 1.00 11.11 C +ANISOU 673 C HIS A 96 1461 1218 1539 73 -207 -129 C +ATOM 674 O HIS A 96 -29.016 15.677 -8.971 1.00 12.01 O +ANISOU 674 O HIS A 96 1573 1380 1610 99 -464 -22 O +ATOM 675 CB HIS A 96 -30.121 14.310 -11.671 1.00 13.32 C +ANISOU 675 CB HIS A 96 2037 1436 1587 250 -575 -213 C +ATOM 676 CG HIS A 96 -29.731 13.202 -12.638 1.00 14.10 C +ANISOU 676 CG HIS A 96 1986 1638 1731 173 -533 -408 C +ATOM 677 ND1 HIS A 96 -29.542 13.419 -13.958 1.00 16.74 N +ANISOU 677 ND1 HIS A 96 2584 1954 1819 -397 -406 -553 N +ATOM 678 CD2 HIS A 96 -29.536 11.830 -12.438 1.00 14.00 C +ANISOU 678 CD2 HIS A 96 1636 1755 1927 191 -263 -248 C +ATOM 679 CE1 HIS A 96 -29.193 12.267 -14.561 1.00 17.49 C +ANISOU 679 CE1 HIS A 96 2819 1908 1918 101 -382 -256 C +ATOM 680 NE2 HIS A 96 -29.221 11.290 -13.652 1.00 15.45 N +ANISOU 680 NE2 HIS A 96 2214 1893 1761 271 -326 -226 N +ATOM 681 N ARG A 97 -31.261 15.560 -8.956 1.00 13.02 N +ANISOU 681 N ARG A 97 1725 1562 1659 367 -130 -152 N +ATOM 682 CA ARG A 97 -31.385 16.729 -8.041 1.00 12.43 C +ANISOU 682 CA ARG A 97 1566 1492 1663 209 -170 -158 C +ATOM 683 C ARG A 97 -30.725 16.433 -6.696 1.00 12.92 C +ANISOU 683 C ARG A 97 1853 1360 1696 -113 -246 15 C +ATOM 684 O ARG A 97 -29.995 17.282 -6.168 1.00 12.18 O +ANISOU 684 O ARG A 97 1735 1477 1415 47 -378 -184 O +ATOM 685 CB ARG A 97 -32.877 17.076 -7.813 1.00 14.36 C +ANISOU 685 CB ARG A 97 1463 1928 2063 263 -356 -178 C +ATOM 686 CG ARG A 97 -33.137 18.191 -6.765 1.00 14.24 C +ANISOU 686 CG ARG A 97 1602 1488 2319 102 -325 -134 C +ATOM 687 CD ARG A 97 -32.365 19.475 -7.075 1.00 12.16 C +ANISOU 687 CD ARG A 97 1428 1652 1539 100 -329 53 C +ATOM 688 NE ARG A 97 -32.680 20.055 -8.407 1.00 13.38 N +ANISOU 688 NE ARG A 97 1701 1701 1682 616 -194 285 N +ATOM 689 CZ ARG A 97 -31.875 20.930 -9.034 1.00 13.14 C +ANISOU 689 CZ ARG A 97 1811 1617 1562 177 -508 208 C +ATOM 690 NH1 ARG A 97 -30.711 21.281 -8.469 1.00 12.52 N +ANISOU 690 NH1 ARG A 97 1785 1567 1403 375 -341 -83 N +ATOM 691 NH2 ARG A 97 -32.226 21.456 -10.233 1.00 13.85 N +ANISOU 691 NH2 ARG A 97 1872 1817 1571 718 -573 110 N +ATOM 692 N LYS A 98 -30.936 15.234 -6.134 1.00 12.60 N +ANISOU 692 N LYS A 98 1768 1328 1688 186 -202 187 N +ATOM 693 CA LYS A 98 -30.284 14.914 -4.844 1.00 13.65 C +ANISOU 693 CA LYS A 98 1780 1492 1911 -85 -424 263 C +ATOM 694 C LYS A 98 -28.748 14.880 -4.971 1.00 12.56 C +ANISOU 694 C LYS A 98 1782 1439 1551 197 -339 -32 C +ATOM 695 O LYS A 98 -28.057 15.344 -4.051 1.00 12.49 O +ANISOU 695 O LYS A 98 1725 1299 1719 242 -483 19 O +ATOM 696 CB LYS A 98 -30.800 13.586 -4.263 1.00 13.77 C +ANISOU 696 CB LYS A 98 1938 1482 1811 -143 18 183 C +ATOM 697 CG LYS A 98 -32.297 13.599 -3.974 1.00 22.24 C +ANISOU 697 CG LYS A 98 2016 2794 3638 -288 308 700 C +ATOM 698 CD LYS A 98 -32.729 12.361 -3.208 1.00 27.95 C +ANISOU 698 CD LYS A 98 3463 3310 3846 -1173 505 594 C +ATOM 699 CE LYS A 98 -34.229 12.395 -2.958 1.00 35.22 C +ANISOU 699 CE LYS A 98 3364 4637 5379 -1170 329 931 C +ATOM 700 NZ LYS A 98 -34.598 11.331 -1.991 1.00 40.82 N +ANISOU 700 NZ LYS A 98 5389 4813 5308 -858 1179 779 N +ATOM 701 N ILE A 99 -28.233 14.383 -6.102 1.00 10.87 N +ANISOU 701 N ILE A 99 1322 1278 1529 -7 -442 101 N +ATOM 702 CA ILE A 99 -26.770 14.405 -6.357 1.00 11.63 C +ANISOU 702 CA ILE A 99 1552 1104 1762 121 -122 -176 C +ATOM 703 C ILE A 99 -26.265 15.863 -6.464 1.00 10.82 C +ANISOU 703 C ILE A 99 1680 1150 1280 16 -491 -47 C +ATOM 704 O ILE A 99 -25.270 16.225 -5.824 1.00 11.75 O +ANISOU 704 O ILE A 99 1672 1324 1467 139 -506 -187 O +ATOM 705 CB ILE A 99 -26.407 13.559 -7.583 1.00 10.21 C +ANISOU 705 CB ILE A 99 1495 1198 1183 -41 -205 121 C +ATOM 706 CG1 ILE A 99 -26.681 12.091 -7.246 1.00 12.89 C +ANISOU 706 CG1 ILE A 99 2277 1069 1549 -255 -557 -170 C +ATOM 707 CG2 ILE A 99 -24.939 13.735 -7.949 1.00 11.84 C +ANISOU 707 CG2 ILE A 99 1384 1503 1609 280 -87 -149 C +ATOM 708 CD1 ILE A 99 -26.735 11.187 -8.470 1.00 14.00 C +ANISOU 708 CD1 ILE A 99 2231 1465 1622 -8 -587 -460 C +ATOM 709 N TYR A 100 -26.975 16.704 -7.226 1.00 10.74 N +ANISOU 709 N TYR A 100 1620 1097 1362 199 -230 -34 N +ATOM 710 CA TYR A 100 -26.627 18.128 -7.274 1.00 11.24 C +ANISOU 710 CA TYR A 100 1988 1077 1205 221 -426 -79 C +ATOM 711 C TYR A 100 -26.568 18.741 -5.867 1.00 11.66 C +ANISOU 711 C TYR A 100 1890 1342 1197 0 -191 -98 C +ATOM 712 O TYR A 100 -25.600 19.438 -5.540 1.00 11.05 O +ANISOU 712 O TYR A 100 1724 1159 1314 257 -364 -167 O +ATOM 713 CB TYR A 100 -27.555 18.926 -8.205 1.00 11.25 C +ANISOU 713 CB TYR A 100 1922 1366 985 225 -367 2 C +ATOM 714 CG TYR A 100 -26.993 19.039 -9.635 1.00 10.03 C +ANISOU 714 CG TYR A 100 1804 952 1051 180 -269 -150 C +ATOM 715 CD1 TYR A 100 -26.669 17.902 -10.412 1.00 13.19 C +ANISOU 715 CD1 TYR A 100 2025 1373 1613 381 -332 -539 C +ATOM 716 CD2 TYR A 100 -26.705 20.282 -10.166 1.00 10.97 C +ANISOU 716 CD2 TYR A 100 1576 1304 1289 74 -318 325 C +ATOM 717 CE1 TYR A 100 -26.107 18.047 -11.666 1.00 14.65 C +ANISOU 717 CE1 TYR A 100 2118 1783 1663 48 -366 -140 C +ATOM 718 CE2 TYR A 100 -26.170 20.435 -11.441 1.00 12.00 C +ANISOU 718 CE2 TYR A 100 1941 1498 1119 63 -376 -132 C +ATOM 719 CZ TYR A 100 -25.853 19.324 -12.180 1.00 13.25 C +ANISOU 719 CZ TYR A 100 2001 1648 1386 273 -503 -262 C +ATOM 720 OH TYR A 100 -25.255 19.475 -13.424 1.00 15.32 O +ANISOU 720 OH TYR A 100 2474 1877 1468 324 -371 78 O +ATOM 721 N THR A 101 -27.567 18.451 -5.030 1.00 11.08 N +ANISOU 721 N THR A 101 1797 1264 1146 276 -155 -27 N +ATOM 722 CA THR A 101 -27.568 18.979 -3.652 1.00 10.90 C +ANISOU 722 CA THR A 101 1805 1249 1086 229 -103 64 C +ATOM 723 C THR A 101 -26.322 18.537 -2.875 1.00 12.15 C +ANISOU 723 C THR A 101 1900 1294 1420 149 -311 -81 C +ATOM 724 O THR A 101 -25.711 19.335 -2.162 1.00 13.34 O +ANISOU 724 O THR A 101 2107 1331 1628 146 -293 -277 O +ATOM 725 CB THR A 101 -28.871 18.546 -2.945 1.00 12.01 C +ANISOU 725 CB THR A 101 1694 1718 1149 326 -94 181 C +ATOM 726 OG1 THR A 101 -29.973 19.143 -3.646 1.00 13.24 O +ANISOU 726 OG1 THR A 101 1901 1385 1742 414 -203 278 O +ATOM 727 CG2 THR A 101 -28.903 18.970 -1.476 1.00 14.48 C +ANISOU 727 CG2 THR A 101 2477 1648 1375 -86 59 -159 C +ATOM 728 N MET A 102 -25.969 17.257 -2.977 1.00 12.60 N +ANISOU 728 N MET A 102 2050 1425 1312 476 -418 -149 N +ATOM 729 CA MET A 102 -24.766 16.754 -2.284 1.00 11.35 C +ANISOU 729 CA MET A 102 1770 1005 1536 270 -344 -66 C +ATOM 730 C MET A 102 -23.497 17.455 -2.801 1.00 11.91 C +ANISOU 730 C MET A 102 1966 1202 1355 83 -430 56 C +ATOM 731 O MET A 102 -22.582 17.740 -2.011 1.00 13.57 O +ANISOU 731 O MET A 102 2001 1425 1729 -100 -536 -16 O +ATOM 732 CB MET A 102 -24.666 15.220 -2.423 1.00 11.63 C +ANISOU 732 CB MET A 102 1911 931 1575 86 -366 264 C +ATOM 733 CG MET A 102 -25.748 14.520 -1.611 1.00 14.98 C +ANISOU 733 CG MET A 102 2232 1556 1901 -299 44 -46 C +ATOM 734 SD MET A 102 -25.590 12.705 -1.554 1.00 16.80 S +ANISOU 734 SD MET A 102 2586 1647 2147 0 -527 285 S +ATOM 735 CE MET A 102 -26.029 12.276 -3.227 1.00 17.26 C +ANISOU 735 CE MET A 102 2776 1691 2089 -108 -584 133 C +ATOM 736 N ILE A 103 -23.436 17.714 -4.109 1.00 10.36 N +ANISOU 736 N ILE A 103 1633 916 1386 77 -356 -58 N +ATOM 737 CA ILE A 103 -22.311 18.459 -4.665 1.00 10.49 C +ANISOU 737 CA ILE A 103 1715 1194 1076 -15 -414 -65 C +ATOM 738 C ILE A 103 -22.320 19.910 -4.183 1.00 11.05 C +ANISOU 738 C ILE A 103 1661 1194 1341 170 -572 -119 C +ATOM 739 O ILE A 103 -21.270 20.412 -3.774 1.00 11.83 O +ANISOU 739 O ILE A 103 1624 1277 1591 114 -606 -207 O +ATOM 740 CB ILE A 103 -22.293 18.396 -6.200 1.00 12.05 C +ANISOU 740 CB ILE A 103 2034 1506 1037 9 -380 -101 C +ATOM 741 CG1 ILE A 103 -22.083 16.910 -6.621 1.00 12.76 C +ANISOU 741 CG1 ILE A 103 1876 1572 1400 0 -611 -229 C +ATOM 742 CG2 ILE A 103 -21.203 19.328 -6.765 1.00 13.74 C +ANISOU 742 CG2 ILE A 103 2108 1852 1259 -92 -316 -47 C +ATOM 743 CD1 ILE A 103 -22.304 16.644 -8.100 1.00 14.54 C +ANISOU 743 CD1 ILE A 103 1979 2137 1406 -164 -430 -434 C +ATOM 744 N TYR A 104 -23.480 20.580 -4.171 1.00 11.87 N +ANISOU 744 N TYR A 104 1976 1120 1410 394 -162 -152 N +ATOM 745 CA TYR A 104 -23.509 22.002 -3.713 1.00 11.87 C +ANISOU 745 CA TYR A 104 1889 1262 1357 299 -571 -331 C +ATOM 746 C TYR A 104 -22.959 22.139 -2.289 1.00 12.10 C +ANISOU 746 C TYR A 104 2281 1072 1242 198 -560 -64 C +ATOM 747 O TYR A 104 -22.309 23.142 -1.978 1.00 12.85 O +ANISOU 747 O TYR A 104 1989 1439 1452 -27 -700 36 O +ATOM 748 CB TYR A 104 -24.927 22.583 -3.763 1.00 12.62 C +ANISOU 748 CB TYR A 104 1782 1669 1343 344 -495 201 C +ATOM 749 CG TYR A 104 -25.394 22.905 -5.182 1.00 11.59 C +ANISOU 749 CG TYR A 104 1950 1179 1274 138 -560 0 C +ATOM 750 CD1 TYR A 104 -26.574 22.362 -5.700 1.00 11.98 C +ANISOU 750 CD1 TYR A 104 1717 1604 1231 216 -591 -56 C +ATOM 751 CD2 TYR A 104 -24.666 23.790 -5.991 1.00 13.44 C +ANISOU 751 CD2 TYR A 104 1908 1763 1434 155 -397 380 C +ATOM 752 CE1 TYR A 104 -27.017 22.678 -7.007 1.00 11.47 C +ANISOU 752 CE1 TYR A 104 1668 1397 1289 369 -485 130 C +ATOM 753 CE2 TYR A 104 -25.095 24.088 -7.312 1.00 14.07 C +ANISOU 753 CE2 TYR A 104 2113 1678 1555 66 -573 431 C +ATOM 754 CZ TYR A 104 -26.297 23.546 -7.784 1.00 13.18 C +ANISOU 754 CZ TYR A 104 1921 1426 1658 363 -425 85 C +ATOM 755 OH TYR A 104 -26.712 23.807 -9.080 1.00 14.97 O +ANISOU 755 OH TYR A 104 2270 1602 1814 318 -527 73 O +ATOM 756 N ARG A 105 -23.173 21.126 -1.448 1.00 12.14 N +ANISOU 756 N ARG A 105 2182 1262 1166 318 -331 36 N +ATOM 757 CA ARG A 105 -22.638 21.171 -0.071 1.00 13.34 C +ANISOU 757 CA ARG A 105 2378 1318 1371 267 -687 102 C +ATOM 758 C ARG A 105 -21.108 21.289 -0.046 1.00 13.91 C +ANISOU 758 C ARG A 105 2384 1309 1589 291 -835 -207 C +ATOM 759 O ARG A 105 -20.516 21.752 0.964 1.00 17.90 O +ANISOU 759 O ARG A 105 3098 2225 1478 207 -978 -296 O +ATOM 760 CB ARG A 105 -23.002 19.894 0.686 1.00 19.47 C +ANISOU 760 CB ARG A 105 3274 1711 2410 21 -386 571 C +ATOM 761 CG ARG A 105 -24.474 19.688 0.902 1.00 24.14 C +ANISOU 761 CG ARG A 105 3694 2521 2956 10 -154 824 C +ATOM 762 CD ARG A 105 -24.757 18.799 2.108 1.00 36.91 C +ANISOU 762 CD ARG A 105 5606 4919 3500 -1183 1549 1291 C +ATOM 763 NE ARG A 105 -26.099 18.249 1.994 1.00 37.62 N +ANISOU 763 NE ARG A 105 6411 4678 3204 -1333 186 671 N +ATOM 764 CZ ARG A 105 -26.356 16.956 1.875 0.50 36.67 C +ANISOU 764 CZ ARG A 105 5321 4201 4410 -401 -357 479 C +ATOM 765 NH1 ARG A 105 -25.358 16.073 1.880 0.50 28.47 N +ANISOU 765 NH1 ARG A 105 4890 3947 1980 -755 -1018 -898 N +ATOM 766 NH2 ARG A 105 -27.609 16.548 1.766 0.50 35.82 N +ANISOU 766 NH2 ARG A 105 4570 4266 4771 621 -605 1982 N +ATOM 767 N ASN A 106 -20.497 20.829 -1.143 1.00 13.70 N +ANISOU 767 N ASN A 106 2137 1415 1652 146 -490 176 N +ATOM 768 CA ASN A 106 -19.064 20.692 -1.293 1.00 13.67 C +ANISOU 768 CA ASN A 106 2317 1135 1742 243 -515 -96 C +ATOM 769 C ASN A 106 -18.429 21.804 -2.096 1.00 12.73 C +ANISOU 769 C ASN A 106 2149 1398 1288 206 -774 20 C +ATOM 770 O ASN A 106 -17.236 21.734 -2.407 1.00 15.41 O +ANISOU 770 O ASN A 106 2228 1587 2037 230 -796 -36 O +ATOM 771 CB ASN A 106 -18.777 19.310 -1.910 1.00 12.91 C +ANISOU 771 CB ASN A 106 2330 965 1608 292 -684 131 C +ATOM 772 CG ASN A 106 -18.905 18.215 -0.899 1.00 15.55 C +ANISOU 772 CG ASN A 106 2669 1203 2035 49 -1185 419 C +ATOM 773 OD1 ASN A 106 -19.928 17.499 -0.829 1.00 18.59 O +ANISOU 773 OD1 ASN A 106 2632 1985 2446 -146 -940 128 O +ATOM 774 ND2 ASN A 106 -17.898 18.087 -0.091 1.00 16.95 N +ANISOU 774 ND2 ASN A 106 2421 1467 2552 64 -1246 600 N +ATOM 775 N LEU A 107 -19.219 22.840 -2.426 1.00 13.23 N +ANISOU 775 N LEU A 107 2207 1225 1593 268 -691 -92 N +ATOM 776 CA LEU A 107 -18.708 24.016 -3.144 1.00 13.69 C +ANISOU 776 CA LEU A 107 2049 1264 1887 121 -870 32 C +ATOM 777 C LEU A 107 -18.558 25.220 -2.235 1.00 14.58 C +ANISOU 777 C LEU A 107 2456 1416 1668 -198 -659 -9 C +ATOM 778 O LEU A 107 -19.277 25.341 -1.238 1.00 16.54 O +ANISOU 778 O LEU A 107 2635 1403 2246 -132 -598 -182 O +ATOM 779 CB LEU A 107 -19.664 24.431 -4.273 1.00 13.20 C +ANISOU 779 CB LEU A 107 2094 1360 1558 99 -726 35 C +ATOM 780 CG LEU A 107 -20.039 23.305 -5.243 1.00 13.11 C +ANISOU 780 CG LEU A 107 1848 1614 1518 129 -751 -57 C +ATOM 781 CD1 LEU A 107 -21.078 23.793 -6.221 1.00 17.03 C +ANISOU 781 CD1 LEU A 107 2429 2003 2037 173 -1106 440 C +ATOM 782 CD2 LEU A 107 -18.812 22.771 -5.992 1.00 14.60 C +ANISOU 782 CD2 LEU A 107 1755 1744 2046 451 -544 175 C +ATOM 783 N VAL A 108 -17.657 26.129 -2.588 1.00 14.48 N +ANISOU 783 N VAL A 108 1915 1248 2338 -96 -995 148 N +ATOM 784 CA VAL A 108 -17.527 27.397 -1.845 1.00 16.27 C +ANISOU 784 CA VAL A 108 2552 1568 2062 48 -955 -103 C +ATOM 785 C VAL A 108 -18.851 28.186 -1.931 1.00 18.26 C +ANISOU 785 C VAL A 108 2591 1959 2388 92 -716 149 C +ATOM 786 O VAL A 108 -19.513 28.172 -2.975 1.00 17.46 O +ANISOU 786 O VAL A 108 2415 1896 2320 310 -571 281 O +ATOM 787 CB VAL A 108 -16.356 28.209 -2.388 1.00 17.17 C +ANISOU 787 CB VAL A 108 2362 1254 2906 121 -1025 187 C +ATOM 788 CG1 VAL A 108 -16.270 29.592 -1.727 1.00 20.21 C +ANISOU 788 CG1 VAL A 108 3074 1300 3301 -487 -613 54 C +ATOM 789 CG2 VAL A 108 -15.046 27.455 -2.150 1.00 18.12 C +ANISOU 789 CG2 VAL A 108 2476 1640 2768 398 -1009 59 C +ATOM 790 OXT VAL A 108 -19.318 28.816 -0.958 1.00 22.60 O +ANISOU 790 OXT VAL A 108 3589 2063 2932 323 -417 166 O +TER 791 VAL A 108 +HETATM 792 O3 NUT A 201 -23.667 5.839 -16.568 1.00 18.16 O +ANISOU 792 O3 NUT A 201 2971 1682 2248 136 -173 -588 O +HETATM 793 C25 NUT A 201 -23.015 6.538 -15.757 1.00 16.08 C +ANISOU 793 C25 NUT A 201 2123 1719 2267 314 -363 -344 C +HETATM 794 N2 NUT A 201 -21.695 6.402 -15.710 1.00 16.62 N +ANISOU 794 N2 NUT A 201 2187 2008 2117 154 56 -1030 N +HETATM 795 C29 NUT A 201 -21.006 5.564 -16.697 1.00 18.26 C +ANISOU 795 C29 NUT A 201 2767 2416 1753 405 -93 -1129 C +HETATM 796 C28 NUT A 201 -19.624 6.037 -17.066 1.00 21.25 C +ANISOU 796 C28 NUT A 201 3157 2714 2199 536 400 -787 C +HETATM 797 O2 NUT A 201 -19.027 5.438 -17.957 1.00 26.40 O +ANISOU 797 O2 NUT A 201 3704 3591 2733 1379 798 -838 O +HETATM 798 N3 NUT A 201 -19.096 7.088 -16.423 1.00 19.48 N +ANISOU 798 N3 NUT A 201 2555 2737 2107 -18 258 -379 N +HETATM 799 C27 NUT A 201 -19.765 7.777 -15.316 1.00 18.67 C +ANISOU 799 C27 NUT A 201 2451 2591 2049 -86 188 -350 C +HETATM 800 C26 NUT A 201 -20.851 6.955 -14.647 1.00 17.26 C +ANISOU 800 C26 NUT A 201 1996 2035 2527 -202 -446 -317 C +HETATM 801 N1 NUT A 201 -23.728 7.387 -14.970 1.00 13.52 N +ANISOU 801 N1 NUT A 201 2033 1394 1708 -58 -456 -184 N +HETATM 802 C10 NUT A 201 -25.032 7.173 -14.710 1.00 15.25 C +ANISOU 802 C10 NUT A 201 2213 1466 2112 -164 -146 -292 C +HETATM 803 C9 NUT A 201 -25.716 5.849 -14.559 1.00 13.04 C +ANISOU 803 C9 NUT A 201 2045 1190 1718 142 -301 -125 C +HETATM 804 C3 NUT A 201 -27.003 5.643 -15.033 1.00 15.29 C +ANISOU 804 C3 NUT A 201 2308 1346 2152 -343 -478 -226 C +HETATM 805 C2 NUT A 201 -27.636 4.390 -14.872 1.00 13.86 C +ANISOU 805 C2 NUT A 201 2166 1362 1735 -310 -648 -336 C +HETATM 806 C5 NUT A 201 -25.021 4.742 -13.878 1.00 12.69 C +ANISOU 806 C5 NUT A 201 1861 1362 1596 22 -523 5 C +HETATM 807 O1 NUT A 201 -23.751 4.950 -13.415 1.00 14.16 O +ANISOU 807 O1 NUT A 201 1996 1489 1895 66 -794 -20 O +HETATM 808 C6 NUT A 201 -23.077 3.927 -12.640 1.00 14.20 C +ANISOU 808 C6 NUT A 201 2041 1299 2053 187 -837 -266 C +HETATM 809 C8 NUT A 201 -22.445 2.900 -13.586 1.00 17.73 C +ANISOU 809 C8 NUT A 201 2325 1903 2506 434 -583 -502 C +HETATM 810 C7 NUT A 201 -22.063 4.596 -11.718 1.00 16.82 C +ANISOU 810 C7 NUT A 201 2163 1746 2481 -436 -911 -44 C +HETATM 811 C4 NUT A 201 -25.678 3.512 -13.732 1.00 13.78 C +ANISOU 811 C4 NUT A 201 1725 1650 1859 -280 -605 -223 C +HETATM 812 C1 NUT A 201 -26.973 3.348 -14.207 1.00 14.18 C +ANISOU 812 C1 NUT A 201 1738 1722 1927 -308 -598 -37 C +HETATM 813 O NUT A 201 -27.557 2.127 -14.022 1.00 15.19 O +ANISOU 813 O NUT A 201 1823 1762 2183 -300 -672 -257 O +HETATM 814 C NUT A 201 -28.863 1.822 -14.540 1.00 16.25 C +ANISOU 814 C NUT A 201 1824 1736 2613 -235 -905 -177 C +HETATM 815 C18 NUT A 201 -23.330 8.774 -14.740 1.00 15.90 C +ANISOU 815 C18 NUT A 201 2442 1522 2076 3 -340 -673 C +HETATM 816 C19 NUT A 201 -22.897 9.233 -13.374 1.00 13.46 C +ANISOU 816 C19 NUT A 201 1805 1625 1682 -85 -213 -131 C +HETATM 817 C24 NUT A 201 -22.198 10.451 -13.326 1.00 14.37 C +ANISOU 817 C24 NUT A 201 2078 1552 1830 31 -401 -386 C +HETATM 818 C23 NUT A 201 -21.867 10.994 -12.087 1.00 13.16 C +ANISOU 818 C23 NUT A 201 2292 1179 1528 162 -65 -192 C +HETATM 819 C22 NUT A 201 -22.260 10.321 -10.942 1.00 13.69 C +ANISOU 819 C22 NUT A 201 1981 1538 1681 16 -265 80 C +HETATM 820 CL1 NUT A 201 -21.928 11.079 -9.376 1.00 17.12 CL +ANISOU 820 CL1 NUT A 201 2523 1738 2243 286 -664 -259 CL +HETATM 821 C21 NUT A 201 -22.988 9.123 -10.942 1.00 13.60 C +ANISOU 821 C21 NUT A 201 1978 1403 1785 29 -219 -205 C +HETATM 822 C20 NUT A 201 -23.300 8.579 -12.190 1.00 13.58 C +ANISOU 822 C20 NUT A 201 1825 1687 1648 277 -303 -67 C +HETATM 823 C11 NUT A 201 -24.792 9.367 -15.038 1.00 15.99 C +ANISOU 823 C11 NUT A 201 2361 1668 2044 -45 -3 -155 C +HETATM 824 N NUT A 201 -25.707 8.251 -14.709 1.00 15.64 N +ANISOU 824 N NUT A 201 2003 1838 2100 4 -811 -79 N +HETATM 825 C12 NUT A 201 -25.194 10.617 -14.301 1.00 13.29 C +ANISOU 825 C12 NUT A 201 1863 1637 1548 132 -261 61 C +HETATM 826 C17 NUT A 201 -24.980 11.874 -14.865 1.00 14.98 C +ANISOU 826 C17 NUT A 201 1984 1418 2287 32 -363 -191 C +HETATM 827 C16 NUT A 201 -25.355 13.035 -14.145 1.00 14.37 C +ANISOU 827 C16 NUT A 201 1746 1685 2029 121 -477 -301 C +HETATM 828 C15 NUT A 201 -25.935 12.921 -12.864 1.00 14.91 C +ANISOU 828 C15 NUT A 201 2076 1661 1926 -8 -572 -400 C +HETATM 829 CL NUT A 201 -26.417 14.360 -11.915 1.00 18.16 CL +ANISOU 829 CL NUT A 201 2319 1785 2796 87 -444 -559 CL +HETATM 830 C14 NUT A 201 -26.156 11.677 -12.254 1.00 13.49 C +ANISOU 830 C14 NUT A 201 2027 1627 1470 291 -592 -256 C +HETATM 831 C13 NUT A 201 -25.791 10.528 -13.019 1.00 12.86 C +ANISOU 831 C13 NUT A 201 1829 1532 1523 54 -281 -353 C +HETATM 832 S SO4 A 202 -30.284 -1.594 -12.096 0.50 13.77 S +ANISOU 832 S SO4 A 202 2066 1664 1500 -571 -724 -244 S +HETATM 833 O1 SO4 A 202 -29.183 -2.189 -12.837 0.50 13.11 O +ANISOU 833 O1 SO4 A 202 2167 1241 1572 -773 -655 -163 O +HETATM 834 O2 SO4 A 202 -30.937 -0.509 -12.871 0.50 15.40 O +ANISOU 834 O2 SO4 A 202 2040 2226 1583 -452 -582 -115 O +HETATM 835 O3 SO4 A 202 -31.363 -2.531 -11.808 0.50 15.67 O +ANISOU 835 O3 SO4 A 202 2349 1899 1704 -773 -568 -353 O +HETATM 836 O4 SO4 A 202 -29.767 -1.053 -10.801 0.50 13.42 O +ANISOU 836 O4 SO4 A 202 2223 1473 1404 -888 -243 -436 O +HETATM 837 O HOH A 301 -32.477 2.910 -5.224 1.00 34.51 O +ANISOU 837 O HOH A 301 4486 4141 4482 330 760 -432 O +HETATM 838 O HOH A 302 -21.073 31.489 -11.536 1.00 17.23 O +ANISOU 838 O HOH A 302 2331 1973 2242 246 -115 565 O +HETATM 839 O HOH A 303 -28.315 7.881 -0.260 1.00 24.61 O +ANISOU 839 O HOH A 303 3254 3068 3029 229 -334 -370 O +HETATM 840 O HOH A 304 -11.555 25.940 -2.675 1.00 28.19 O +ANISOU 840 O HOH A 304 3214 3249 4247 -1106 -1134 -149 O +HETATM 841 O HOH A 305 -29.730 21.101 -5.749 1.00 13.16 O +ANISOU 841 O HOH A 305 1698 1615 1686 247 -146 19 O +HETATM 842 O HOH A 306 -15.713 19.652 -0.782 1.00 19.66 O +ANISOU 842 O HOH A 306 2857 2045 2565 -43 -734 -32 O +HETATM 843 O HOH A 307 -28.500 8.768 -14.299 1.00 18.91 O +ANISOU 843 O HOH A 307 2708 1626 2851 -38 -666 -371 O +HETATM 844 O HOH A 308 -25.168 25.427 -10.621 1.00 20.24 O +ANISOU 844 O HOH A 308 2953 2788 1950 242 -140 432 O +HETATM 845 O HOH A 309 -24.587 17.719 -15.272 1.00 21.13 O +ANISOU 845 O HOH A 309 3302 2548 2176 332 -205 -129 O +HETATM 846 O HOH A 310 -10.766 7.760 -0.518 1.00 28.31 O +ANISOU 846 O HOH A 310 3027 3048 4678 474 3 374 O +HETATM 847 O HOH A 311 -21.141 15.566 -17.125 1.00 29.85 O +ANISOU 847 O HOH A 311 4655 3946 2740 601 -573 -627 O +HETATM 848 O HOH A 312 -32.148 17.707 -3.033 1.00 21.56 O +ANISOU 848 O HOH A 312 3184 2036 2970 171 573 444 O +HETATM 849 O HOH A 313 -33.466 13.652 -7.152 1.00 21.11 O +ANISOU 849 O HOH A 313 2858 1808 3353 -38 25 288 O +HETATM 850 O HOH A 314 -33.854 14.693 -10.011 1.00 24.60 O +ANISOU 850 O HOH A 314 2446 2846 4055 12 -924 -521 O +HETATM 851 O HOH A 315 -25.641 29.157 -17.112 1.00 21.89 O +ANISOU 851 O HOH A 315 2699 3067 2551 11 421 336 O +HETATM 852 O HOH A 316 -35.294 15.304 -5.786 1.00 31.04 O +ANISOU 852 O HOH A 316 3191 3700 4900 -583 -110 644 O +HETATM 853 O HOH A 317 -23.175 1.109 -9.778 1.00 21.96 O +ANISOU 853 O HOH A 317 3277 2345 2720 270 -685 -569 O +HETATM 854 O HOH A 318 -23.057 30.053 -17.657 1.00 26.24 O +ANISOU 854 O HOH A 318 3865 3131 2974 132 -339 -52 O +HETATM 855 O HOH A 319 -20.580 1.417 0.149 1.00 24.10 O +ANISOU 855 O HOH A 319 3595 2609 2953 -358 -84 -3 O +HETATM 856 O HOH A 320 -32.776 -2.086 -9.425 1.00 32.27 O +ANISOU 856 O HOH A 320 4096 4343 3822 -757 -687 252 O +HETATM 857 O HOH A 321 -18.055 28.753 1.475 1.00 30.35 O +ANISOU 857 O HOH A 321 4258 4469 2804 551 -1115 -867 O +HETATM 858 O HOH A 322 -24.190 27.223 -8.864 0.50 20.53 O +ANISOU 858 O HOH A 322 2901 2331 2569 966 -469 481 O +HETATM 859 O HOH A 323 -23.655 15.375 -16.466 1.00 30.01 O +ANISOU 859 O HOH A 323 4355 3220 3824 783 -395 -304 O +HETATM 860 O HOH A 324 -15.726 27.437 1.823 1.00 22.18 O +ANISOU 860 O HOH A 324 2856 2745 2823 332 -197 378 O +HETATM 861 O HOH A 325 -11.629 27.687 -0.731 1.00 31.77 O +ANISOU 861 O HOH A 325 3130 4321 4620 -1120 -691 -506 O +HETATM 862 O HOH A 326 -19.575 22.553 -19.244 1.00 29.51 O +ANISOU 862 O HOH A 326 4268 4320 2624 1442 -7 195 O +HETATM 863 O HOH A 327 -16.548 8.467 -17.045 1.00 29.99 O +ANISOU 863 O HOH A 327 3080 3840 4474 -446 388 -456 O +HETATM 864 O HOH A 328 -13.520 28.845 1.130 1.00 24.91 O +ANISOU 864 O HOH A 328 3190 2743 3532 -405 -547 300 O +HETATM 865 O HOH A 329 -29.349 15.197 -1.178 1.00 32.78 O +ANISOU 865 O HOH A 329 3447 3782 5224 600 -925 260 O +HETATM 866 O HOH A 330 -26.516 9.472 -18.351 1.00 50.31 O +ANISOU 866 O HOH A 330 7703 6308 5103 -2268 -1195 113 O +HETATM 867 O HOH A 331 -30.647 -5.141 -11.193 1.00 35.43 O +ANISOU 867 O HOH A 331 4688 3215 5558 -915 -290 -127 O +HETATM 868 O HOH A 332 -29.739 8.406 -3.351 1.00 27.45 O +ANISOU 868 O HOH A 332 2298 4883 3249 309 434 -1055 O +HETATM 869 O HOH A 333 -32.615 18.315 -0.267 1.00 40.52 O +ANISOU 869 O HOH A 333 6030 5079 4286 809 984 942 O +HETATM 870 O HOH A 334 -18.096 10.668 -16.231 1.00 28.49 O +ANISOU 870 O HOH A 334 4670 3043 3109 -513 -835 381 O +HETATM 871 O HOH A 335 -30.545 6.891 -14.699 1.00 32.51 O +ANISOU 871 O HOH A 335 3147 3196 6009 384 -1526 -1547 O +HETATM 872 O HOH A 336 -32.667 22.729 -19.999 1.00 32.53 O +ANISOU 872 O HOH A 336 5165 4550 2643 682 -1754 426 O +HETATM 873 O HOH A 337 -36.133 21.855 -13.565 1.00 36.13 O +ANISOU 873 O HOH A 337 3511 5815 4401 2099 -422 -56 O +HETATM 874 O HOH A 338 -25.569 6.744 -18.311 1.00 28.01 O +ANISOU 874 O HOH A 338 4979 2401 3261 323 -1845 -228 O +HETATM 875 O HOH A 339 -8.396 8.049 -13.855 1.00 45.37 O +ANISOU 875 O HOH A 339 6279 5767 5191 -176 269 737 O +HETATM 876 O HOH A 340 -11.431 25.079 -6.093 1.00 32.32 O +ANISOU 876 O HOH A 340 3236 5063 3982 -1468 -562 307 O +HETATM 877 O HOH A 341 -7.181 20.220 -2.867 1.00 34.57 O +ANISOU 877 O HOH A 341 3073 4558 5502 198 185 -899 O +HETATM 878 O HOH A 342 -10.004 4.919 -0.158 1.00 50.44 O +ANISOU 878 O HOH A 342 6204 6340 6621 2196 -2392 1278 O +HETATM 879 O HOH A 343 -28.809 4.090 -1.785 1.00 32.90 O +ANISOU 879 O HOH A 343 3638 4156 4706 446 461 61 O +HETATM 880 O HOH A 344 -19.231 12.823 6.366 1.00 38.00 O +ANISOU 880 O HOH A 344 6775 4104 3556 477 -935 -599 O +HETATM 881 O HOH A 345 -18.635 20.640 3.113 1.00 32.80 O +ANISOU 881 O HOH A 345 4129 4621 3711 -373 -1433 1375 O +HETATM 882 O HOH A 346 -6.907 23.177 -3.075 1.00 44.92 O +ANISOU 882 O HOH A 346 5646 6470 4950 -2097 -501 -1141 O +HETATM 883 O HOH A 347 -19.141 27.767 3.847 1.00 37.34 O +ANISOU 883 O HOH A 347 4472 6030 3685 791 -625 1201 O +HETATM 884 O HOH A 348 -33.594 5.970 -7.211 1.00 36.08 O +ANISOU 884 O HOH A 348 2695 5361 5652 -742 -828 132 O +HETATM 885 O HOH A 349 -10.363 27.585 -5.098 1.00 43.47 O +ANISOU 885 O HOH A 349 4280 7131 5104 -2901 -449 1161 O +HETATM 886 O HOH A 350 -34.526 17.065 -3.765 1.00 31.34 O +ANISOU 886 O HOH A 350 3530 4849 3528 643 55 949 O +HETATM 887 O HOH A 351 -4.764 16.656 -11.744 1.00 37.65 O +ANISOU 887 O HOH A 351 3139 5195 5969 280 850 1057 O +HETATM 888 O HOH A 352 -35.090 20.640 -16.307 1.00 45.52 O +ANISOU 888 O HOH A 352 6261 4255 6779 -1692 -1525 -1257 O +HETATM 889 O HOH A 353 -17.124 3.085 8.159 1.00 41.49 O +ANISOU 889 O HOH A 353 5672 2939 7153 -204 -119 273 O +HETATM 890 O HOH A 354 -9.405 20.379 -16.286 1.00 41.02 O +ANISOU 890 O HOH A 354 5177 4847 5559 2138 204 529 O +HETATM 891 O HOH A 355 -5.656 14.860 -5.856 1.00 33.90 O +ANISOU 891 O HOH A 355 2167 6295 4418 164 -615 -355 O +HETATM 892 O HOH A 356 -26.202 13.562 2.174 1.00 32.86 O +ANISOU 892 O HOH A 356 3848 4175 4461 -98 -330 -65 O +HETATM 893 O HOH A 357 -9.487 9.363 -2.837 1.00 50.15 O +ANISOU 893 O HOH A 357 5017 7900 6135 -1643 -2375 987 O +HETATM 894 O HOH A 358 -35.358 11.214 -10.602 1.00 44.53 O +ANISOU 894 O HOH A 358 3633 6404 6880 -514 -2074 943 O +HETATM 895 O HOH A 359 -8.196 30.056 -7.599 1.00 51.55 O +ANISOU 895 O HOH A 359 4893 8162 6530 65 -732 1587 O +HETATM 896 O HOH A 360 -14.907 25.644 -17.050 1.00 38.67 O +ANISOU 896 O HOH A 360 5754 4282 4656 -892 1807 146 O +HETATM 897 O HOH A 361 -12.914 3.235 -2.055 1.00 35.19 O +ANISOU 897 O HOH A 361 4926 2272 6169 -60 -1323 562 O +HETATM 898 O HOH A 362 -25.253 8.876 6.253 1.00 36.55 O +ANISOU 898 O HOH A 362 5874 4510 3500 -796 1144 951 O +HETATM 899 O HOH A 363 -25.946 21.223 -20.748 1.00 44.95 O +ANISOU 899 O HOH A 363 8190 4360 4528 1877 -1029 -1023 O +HETATM 900 O HOH A 364 -25.606 17.054 -19.586 1.00 40.98 O +ANISOU 900 O HOH A 364 6687 4890 3994 -338 881 -707 O +HETATM 901 O HOH A 365 -23.867 30.951 -20.265 1.00 35.64 O +ANISOU 901 O HOH A 365 5348 4417 3775 633 719 1477 O +HETATM 902 O HOH A 366 -28.624 10.318 -17.108 1.00 40.10 O +ANISOU 902 O HOH A 366 6442 5388 3403 -351 -612 160 O +HETATM 903 O HOH A 367 -12.852 26.938 -15.528 1.00 43.55 O +ANISOU 903 O HOH A 367 5331 7146 4069 1441 1120 2072 O +HETATM 904 O HOH A 368 -11.989 1.523 -4.406 1.00 43.79 O +ANISOU 904 O HOH A 368 5596 3926 7115 1259 -2019 236 O +HETATM 905 O HOH A 369 -14.333 31.475 0.830 1.00 41.82 O +ANISOU 905 O HOH A 369 5424 3955 6509 -205 -1349 -642 O +HETATM 906 O HOH A 370 -17.552 -0.429 3.606 1.00 31.84 O +ANISOU 906 O HOH A 370 4464 2747 4887 -610 -829 667 O +HETATM 907 O HOH A 371 -20.412 4.362 5.912 1.00 41.17 O +ANISOU 907 O HOH A 371 6177 4048 5415 -173 -1354 -536 O +HETATM 908 O HOH A 372 -26.340 29.195 -19.677 1.00 35.96 O +ANISOU 908 O HOH A 372 4199 5136 4327 -377 -399 1929 O +HETATM 909 O HOH A 373 -17.876 5.529 5.038 1.00 44.48 O +ANISOU 909 O HOH A 373 6818 5474 4606 -1898 617 612 O +HETATM 910 O HOH A 374 -21.545 22.939 3.207 1.00 41.09 O +ANISOU 910 O HOH A 374 4938 6995 3679 1452 -327 -494 O +HETATM 911 O HOH A 375 -5.155 12.598 -4.137 1.00 52.93 O +ANISOU 911 O HOH A 375 6583 7587 5940 3281 -1561 -924 O +HETATM 912 O HOH A 376 -17.868 17.741 -19.527 1.00 46.26 O +ANISOU 912 O HOH A 376 7174 5611 4788 -33 -1863 2064 O +HETATM 913 O HOH A 377 -28.507 12.243 0.628 1.00 40.62 O +ANISOU 913 O HOH A 377 4008 4380 7043 -1668 749 -199 O +HETATM 914 O HOH A 378 -27.323 5.256 2.086 1.00 47.28 O +ANISOU 914 O HOH A 378 4643 8949 4371 -803 -824 2245 O +HETATM 915 O HOH A 379 -17.274 8.900 -19.929 1.00 51.37 O +ANISOU 915 O HOH A 379 7306 7331 4881 1723 831 82 O +HETATM 916 O HOH A 380 -2.647 11.654 -9.621 1.00 55.85 O +ANISOU 916 O HOH A 380 6743 4122 10356 602 905 757 O +HETATM 917 O HOH A 381 -25.077 13.669 -17.976 1.00 39.69 O +ANISOU 917 O HOH A 381 5668 5157 4253 -1282 -1001 432 O +HETATM 918 O HOH A 382 -3.705 12.473 -7.178 1.00 45.41 O +ANISOU 918 O HOH A 382 5811 3921 7519 608 -1372 -1032 O +HETATM 919 O HOH A 383 -20.580 28.794 -18.996 1.00 45.56 O +ANISOU 919 O HOH A 383 4571 8522 4217 -800 1309 -68 O +HETATM 920 O HOH A 384 -19.057 19.993 -20.347 1.00 45.70 O +ANISOU 920 O HOH A 384 6703 6822 3837 324 276 346 O +HETATM 921 O HOH A 385 -1.397 17.273 -19.788 1.00 53.73 O +ANISOU 921 O HOH A 385 9236 5997 5181 416 934 -1182 O +HETATM 922 O HOH A 386 -9.113 1.683 -2.526 1.00 53.38 O +ANISOU 922 O HOH A 386 7689 5315 7277 2133 -428 -1107 O +HETATM 923 O HOH A 387 -20.995 26.561 -20.478 1.00 43.70 O +ANISOU 923 O HOH A 387 5654 6354 4594 -939 861 -1520 O +HETATM 924 O HOH A 388 -0.317 19.473 -18.228 1.00 53.87 O +ANISOU 924 O HOH A 388 6532 7955 5978 1373 -209 849 O +HETATM 925 O HOH A 389 -15.864 2.562 -1.345 1.00 44.97 O +ANISOU 925 O HOH A 389 5124 6041 5921 -373 274 75 O +HETATM 926 O HOH A 390 -28.675 10.316 -1.608 1.00 33.55 O +ANISOU 926 O HOH A 390 5853 2668 4226 -485 -818 -806 O +HETATM 927 O HOH A 391 -29.290 15.834 -15.443 1.00 27.18 O +ANISOU 927 O HOH A 391 4908 1291 4125 903 149 -9 O +HETATM 928 O HOH A 392 -31.944 26.199 -19.260 1.00 26.05 O +ANISOU 928 O HOH A 392 2370 3523 4002 -586 687 -883 O +HETATM 929 O HOH A 393 -34.565 20.536 -11.717 1.00 22.82 O +ANISOU 929 O HOH A 393 2879 2967 2823 -567 -808 250 O +HETATM 930 O HOH A 394 -27.648 -1.487 -1.526 1.00 32.57 O +ANISOU 930 O HOH A 394 4992 4124 3257 -1093 64 -274 O +HETATM 931 O HOH A 395 -35.145 17.242 -10.864 1.00 41.48 O +ANISOU 931 O HOH A 395 4900 5597 5260 1494 -2590 -732 O +HETATM 932 O HOH A 396 -27.525 14.406 -16.717 1.00 41.22 O +ANISOU 932 O HOH A 396 3889 7188 4582 911 98 -88 O +HETATM 933 O HOH A 397 -8.370 11.218 -4.198 1.00 51.28 O +ANISOU 933 O HOH A 397 4047 7790 7648 1053 126 122 O +CONECT 792 793 +CONECT 793 792 794 801 +CONECT 794 793 795 800 +CONECT 795 794 796 +CONECT 796 795 797 798 +CONECT 797 796 +CONECT 798 796 799 +CONECT 799 798 800 +CONECT 800 794 799 +CONECT 801 793 802 815 +CONECT 802 801 803 824 +CONECT 803 802 804 806 +CONECT 804 803 805 +CONECT 805 804 812 +CONECT 806 803 807 811 +CONECT 807 806 808 +CONECT 808 807 809 810 +CONECT 809 808 +CONECT 810 808 +CONECT 811 806 812 +CONECT 812 805 811 813 +CONECT 813 812 814 +CONECT 814 813 +CONECT 815 801 816 823 +CONECT 816 815 817 822 +CONECT 817 816 818 +CONECT 818 817 819 +CONECT 819 818 820 821 +CONECT 820 819 +CONECT 821 819 822 +CONECT 822 816 821 +CONECT 823 815 824 825 +CONECT 824 802 823 +CONECT 825 823 826 831 +CONECT 826 825 827 +CONECT 827 826 828 +CONECT 828 827 829 830 +CONECT 829 828 +CONECT 830 828 831 +CONECT 831 825 830 +CONECT 832 833 834 835 836 +CONECT 833 832 +CONECT 834 832 +CONECT 835 832 +CONECT 836 832 +MASTER 308 0 2 5 4 0 7 6 886 1 45 8 +END diff --git a/data/targets/mdm2_1ycr_excerpt.pdb b/data/targets/mdm2_1ycr_excerpt.pdb new file mode 100644 index 0000000000000000000000000000000000000000..10bea8fd1c089ff28184fde5c3e5161fbd6fc1c0 --- /dev/null +++ b/data/targets/mdm2_1ycr_excerpt.pdb @@ -0,0 +1,1161 @@ +HEADER COMPLEX (ONCOGENE PROTEIN/PEPTIDE) 30-SEP-96 1YCR +TITLE MDM2 BOUND TO THE TRANSACTIVATION DOMAIN OF P53 +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: MDM2; +COMPND 3 CHAIN: A; +COMPND 4 FRAGMENT: RESIDUES 17 - 125; +COMPND 5 SYNONYM: MDM2; +COMPND 6 ENGINEERED: YES; +COMPND 7 MOL_ID: 2; +COMPND 8 MOLECULE: P53; +COMPND 9 CHAIN: B; +COMPND 10 FRAGMENT: RESIDUES 15 - 29; +COMPND 11 ENGINEERED: YES +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; +SOURCE 3 ORGANISM_COMMON: HUMAN; +SOURCE 4 ORGANISM_TAXID: 9606; +SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; +SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; +SOURCE 7 EXPRESSION_SYSTEM_PLASMID: PET3D; +SOURCE 8 MOL_ID: 2 +KEYWDS ANTI-ONCOGENE, DNA-BINDING, TRANSCRIPTION REGULATION, NUCLEAR +KEYWDS 2 PROTEIN, COMPLEX (ONCOGENE PROTEIN-PEPTIDE), PHOSPHORYLATION, +KEYWDS 3 ACTIVATOR, COMPLEX (ONCOGENE PROTEIN-PEPTIDE) COMPLEX +EXPDTA X-RAY DIFFRACTION +AUTHOR P.H.KUSSIE,N.P.PAVLETICH +REVDAT 5 14-FEB-24 1YCR 1 REMARK +REVDAT 4 14-AUG-19 1YCR 1 REMARK +REVDAT 3 17-JUL-19 1YCR 1 REMARK +REVDAT 2 24-FEB-09 1YCR 1 VERSN +REVDAT 1 19-NOV-97 1YCR 0 +JRNL AUTH P.H.KUSSIE,S.GORINA,V.MARECHAL,B.ELENBAAS,J.MOREAU, +JRNL AUTH 2 A.J.LEVINE,N.P.PAVLETICH +JRNL TITL STRUCTURE OF THE MDM2 ONCOPROTEIN BOUND TO THE P53 TUMOR +JRNL TITL 2 SUPPRESSOR TRANSACTIVATION DOMAIN. +JRNL REF SCIENCE V. 274 948 1996 +JRNL REFN ISSN 0036-8075 +JRNL PMID 8875929 +JRNL DOI 10.1126/SCIENCE.274.5289.948 +REMARK 2 +REMARK 2 RESOLUTION. 2.60 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : X-PLOR 3.1 +REMARK 3 AUTHORS : BRUNGER +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.60 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 8.00 +REMARK 3 DATA CUTOFF (SIGMA(F)) : 1.000 +REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL +REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL +REMARK 3 COMPLETENESS (WORKING+TEST) (%) : NULL +REMARK 3 NUMBER OF REFLECTIONS : 3293 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 CROSS-VALIDATION METHOD : NULL +REMARK 3 FREE R VALUE TEST SET SELECTION : NULL +REMARK 3 R VALUE (WORKING SET) : 0.200 +REMARK 3 FREE R VALUE : 0.276 +REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL +REMARK 3 FREE R VALUE TEST SET COUNT : NULL +REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL +REMARK 3 +REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. +REMARK 3 TOTAL NUMBER OF BINS USED : NULL +REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL +REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL +REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL +REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL +REMARK 3 BIN R VALUE (WORKING SET) : NULL +REMARK 3 BIN FREE R VALUE : NULL +REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL +REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL +REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 818 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 0 +REMARK 3 SOLVENT ATOMS : 0 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : NULL +REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : NULL +REMARK 3 B22 (A**2) : NULL +REMARK 3 B33 (A**2) : NULL +REMARK 3 B12 (A**2) : NULL +REMARK 3 B13 (A**2) : NULL +REMARK 3 B23 (A**2) : NULL +REMARK 3 +REMARK 3 ESTIMATED COORDINATE ERROR. +REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL +REMARK 3 ESD FROM SIGMAA (A) : NULL +REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL +REMARK 3 +REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. +REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL +REMARK 3 ESD FROM C-V SIGMAA (A) : NULL +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. +REMARK 3 BOND LENGTHS (A) : 0.013 +REMARK 3 BOND ANGLES (DEGREES) : 1.550 +REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL +REMARK 3 IMPROPER ANGLES (DEGREES) : NULL +REMARK 3 +REMARK 3 ISOTROPIC THERMAL MODEL : NULL +REMARK 3 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA +REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL +REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL +REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL +REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL +REMARK 3 +REMARK 3 NCS MODEL : NULL +REMARK 3 +REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT +REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL +REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL +REMARK 3 +REMARK 3 PARAMETER FILE 1 : NULL +REMARK 3 TOPOLOGY FILE 1 : NULL +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: NULL +REMARK 4 +REMARK 4 1YCR COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. +REMARK 100 THE DEPOSITION ID IS D_1000177367. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : 25-JUL-96 +REMARK 200 TEMPERATURE (KELVIN) : NULL +REMARK 200 PH : NULL +REMARK 200 NUMBER OF CRYSTALS USED : NULL +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : N +REMARK 200 RADIATION SOURCE : NULL +REMARK 200 BEAMLINE : NULL +REMARK 200 X-RAY GENERATOR MODEL : NULL +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 +REMARK 200 MONOCHROMATOR : NULL +REMARK 200 OPTICS : NULL +REMARK 200 +REMARK 200 DETECTOR TYPE : IMAGE PLATE +REMARK 200 DETECTOR MANUFACTURER : RIGAKU +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL +REMARK 200 DATA SCALING SOFTWARE : NULL +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 3559 +REMARK 200 RESOLUTION RANGE HIGH (A) : NULL +REMARK 200 RESOLUTION RANGE LOW (A) : NULL +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 90.0 +REMARK 200 DATA REDUNDANCY : 4.500 +REMARK 200 R MERGE (I) : 0.05200 +REMARK 200 R SYM (I) : NULL +REMARK 200 FOR THE DATA SET : NULL +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL +REMARK 200 COMPLETENESS FOR SHELL (%) : NULL +REMARK 200 DATA REDUNDANCY IN SHELL : NULL +REMARK 200 R MERGE FOR SHELL (I) : NULL +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 FOR SHELL : NULL +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: NULL +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL +REMARK 200 SOFTWARE USED: X-PLOR 3.1 +REMARK 200 STARTING MODEL: NULL +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 41.03 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.09 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: NULL +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 2 2 21 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -X,-Y,Z+1/2 +REMARK 290 3555 -X,Y,-Z+1/2 +REMARK 290 4555 X,-Y,-Z +REMARK 290 5555 X+1/2,Y+1/2,Z +REMARK 290 6555 -X+1/2,-Y+1/2,Z+1/2 +REMARK 290 7555 -X+1/2,Y+1/2,-Z+1/2 +REMARK 290 8555 X+1/2,-Y+1/2,-Z +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 27.42650 +REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 27.42650 +REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 21.70700 +REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 50.27300 +REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 21.70700 +REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 50.27300 +REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 27.42650 +REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 21.70700 +REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 50.27300 +REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 27.42650 +REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 21.70700 +REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 50.27300 +REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 1440 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 5440 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -12.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 465 +REMARK 465 MISSING RESIDUES +REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE +REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) +REMARK 465 +REMARK 465 M RES C SSSEQI +REMARK 465 SER A 17 +REMARK 465 GLN A 18 +REMARK 465 ILE A 19 +REMARK 465 PRO A 20 +REMARK 465 ALA A 21 +REMARK 465 SER A 22 +REMARK 465 GLU A 23 +REMARK 465 GLN A 24 +REMARK 465 VAL A 110 +REMARK 465 ASN A 111 +REMARK 465 GLN A 112 +REMARK 465 GLN A 113 +REMARK 465 GLU A 114 +REMARK 465 SER A 115 +REMARK 465 SER A 116 +REMARK 465 ASP A 117 +REMARK 465 SER A 118 +REMARK 465 GLY A 119 +REMARK 465 THR A 120 +REMARK 465 SER A 121 +REMARK 465 VAL A 122 +REMARK 465 SER A 123 +REMARK 465 GLU A 124 +REMARK 465 ASN A 125 +REMARK 465 SER B 15 +REMARK 465 GLN B 16 +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 ALA A 43 90.74 -69.28 +REMARK 500 ARG A 65 45.24 28.06 +REMARK 500 GLN A 71 79.07 -105.81 +REMARK 500 CYS A 77 18.22 -140.46 +REMARK 500 +REMARK 500 REMARK: NULL +DBREF 1YCR A 17 125 UNP Q00987 MDM2_HUMAN 17 125 +DBREF 1YCR B 15 29 UNP P04637 P53_HUMAN 15 29 +SEQRES 1 A 109 SER GLN ILE PRO ALA SER GLU GLN GLU THR LEU VAL ARG +SEQRES 2 A 109 PRO LYS PRO LEU LEU LEU LYS LEU LEU LYS SER VAL GLY +SEQRES 3 A 109 ALA GLN LYS ASP THR TYR THR MET LYS GLU VAL LEU PHE +SEQRES 4 A 109 TYR LEU GLY GLN TYR ILE MET THR LYS ARG LEU TYR ASP +SEQRES 5 A 109 GLU LYS GLN GLN HIS ILE VAL TYR CYS SER ASN ASP LEU +SEQRES 6 A 109 LEU GLY ASP LEU PHE GLY VAL PRO SER PHE SER VAL LYS +SEQRES 7 A 109 GLU HIS ARG LYS ILE TYR THR MET ILE TYR ARG ASN LEU +SEQRES 8 A 109 VAL VAL VAL ASN GLN GLN GLU SER SER ASP SER GLY THR +SEQRES 9 A 109 SER VAL SER GLU ASN +SEQRES 1 B 15 SER GLN GLU THR PHE SER ASP LEU TRP LYS LEU LEU PRO +SEQRES 2 B 15 GLU ASN +HELIX 1 1 PRO A 32 VAL A 41 1 10 +HELIX 2 2 MET A 50 THR A 63 1 14 +HELIX 3 3 LEU A 81 PHE A 86 1 6 +HELIX 4 4 HIS A 96 ASN A 106 1 11 +HELIX 5 5 PHE B 19 LEU B 25 1 7 +SHEET 1 A 2 ILE A 74 TYR A 76 0 +SHEET 2 A 2 SER A 90 SER A 92 -1 N PHE A 91 O VAL A 75 +CRYST1 43.414 100.546 54.853 90.00 90.00 90.00 C 2 2 21 8 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.023034 0.000000 0.000000 0.00000 +SCALE2 0.000000 0.009946 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.018231 0.00000 +ATOM 1 N GLU A 25 10.801 -12.147 -5.180 1.00 49.08 N +ATOM 2 CA GLU A 25 11.124 -13.382 -4.414 1.00 50.43 C +ATOM 3 C GLU A 25 11.769 -12.878 -3.130 1.00 49.75 C +ATOM 4 O GLU A 25 11.175 -12.047 -2.441 1.00 49.34 O +ATOM 5 CB GLU A 25 12.075 -14.259 -5.228 1.00 53.69 C +ATOM 6 CG GLU A 25 11.564 -14.543 -6.638 1.00 57.47 C +ATOM 7 CD GLU A 25 12.414 -15.556 -7.397 1.00 61.03 C +ATOM 8 OE1 GLU A 25 12.439 -16.745 -6.995 1.00 61.91 O +ATOM 9 OE2 GLU A 25 13.043 -15.163 -8.409 1.00 62.06 O +ATOM 10 N THR A 26 12.965 -13.355 -2.800 1.00 49.81 N +ATOM 11 CA THR A 26 13.656 -12.864 -1.611 1.00 48.43 C +ATOM 12 C THR A 26 14.518 -11.718 -2.102 1.00 44.63 C +ATOM 13 O THR A 26 15.519 -11.956 -2.778 1.00 45.84 O +ATOM 14 CB THR A 26 14.598 -13.915 -1.009 1.00 49.13 C +ATOM 15 OG1 THR A 26 15.478 -14.396 -2.032 1.00 49.45 O +ATOM 16 CG2 THR A 26 13.804 -15.068 -0.397 1.00 49.70 C +ATOM 17 N LEU A 27 14.081 -10.486 -1.869 1.00 38.63 N +ATOM 18 CA LEU A 27 14.863 -9.337 -2.294 1.00 35.16 C +ATOM 19 C LEU A 27 15.877 -8.978 -1.213 1.00 32.59 C +ATOM 20 O LEU A 27 15.495 -8.696 -0.082 1.00 30.66 O +ATOM 21 CB LEU A 27 13.960 -8.146 -2.616 1.00 32.87 C +ATOM 22 CG LEU A 27 13.336 -8.100 -4.010 1.00 29.89 C +ATOM 23 CD1 LEU A 27 13.942 -6.978 -4.794 1.00 29.32 C +ATOM 24 CD2 LEU A 27 13.546 -9.397 -4.744 1.00 27.86 C +ATOM 25 N VAL A 28 17.162 -9.063 -1.553 1.00 30.41 N +ATOM 26 CA VAL A 28 18.243 -8.753 -0.623 1.00 26.97 C +ATOM 27 C VAL A 28 19.056 -7.585 -1.146 1.00 29.59 C +ATOM 28 O VAL A 28 18.977 -7.247 -2.329 1.00 29.91 O +ATOM 29 CB VAL A 28 19.188 -9.980 -0.384 1.00 20.37 C +ATOM 30 CG1 VAL A 28 18.428 -11.110 0.261 1.00 17.22 C +ATOM 31 CG2 VAL A 28 19.819 -10.441 -1.688 1.00 19.17 C +ATOM 32 N ARG A 29 19.785 -6.941 -0.241 1.00 33.20 N +ATOM 33 CA ARG A 29 20.650 -5.812 -0.577 1.00 37.19 C +ATOM 34 C ARG A 29 22.031 -6.257 -0.132 1.00 34.37 C +ATOM 35 O ARG A 29 22.238 -6.530 1.050 1.00 35.05 O +ATOM 36 CB ARG A 29 20.239 -4.577 0.213 1.00 46.45 C +ATOM 37 CG ARG A 29 20.885 -3.295 -0.264 1.00 56.87 C +ATOM 38 CD ARG A 29 20.354 -2.071 0.489 1.00 62.95 C +ATOM 39 NE ARG A 29 18.892 -1.904 0.445 1.00 67.51 N +ATOM 40 CZ ARG A 29 18.168 -1.674 -0.657 1.00 69.80 C +ATOM 41 NH1 ARG A 29 18.743 -1.578 -1.853 1.00 70.00 N +ATOM 42 NH2 ARG A 29 16.853 -1.509 -0.560 1.00 70.00 N +ATOM 43 N PRO A 30 22.976 -6.407 -1.075 1.00 32.61 N +ATOM 44 CA PRO A 30 24.328 -6.842 -0.726 1.00 31.66 C +ATOM 45 C PRO A 30 25.179 -5.801 0.008 1.00 31.16 C +ATOM 46 O PRO A 30 25.136 -4.598 -0.297 1.00 33.84 O +ATOM 47 CB PRO A 30 24.915 -7.215 -2.086 1.00 31.15 C +ATOM 48 CG PRO A 30 24.291 -6.227 -2.989 1.00 31.13 C +ATOM 49 CD PRO A 30 22.853 -6.222 -2.532 1.00 32.34 C +ATOM 50 N LYS A 31 25.928 -6.279 0.997 1.00 26.84 N +ATOM 51 CA LYS A 31 26.812 -5.440 1.782 1.00 25.65 C +ATOM 52 C LYS A 31 27.962 -4.950 0.897 1.00 25.77 C +ATOM 53 O LYS A 31 28.271 -5.569 -0.123 1.00 24.89 O +ATOM 54 CB LYS A 31 27.298 -6.203 3.022 1.00 27.30 C +ATOM 55 CG LYS A 31 26.247 -6.219 4.140 1.00 28.71 C +ATOM 56 CD LYS A 31 26.650 -7.040 5.370 1.00 31.15 C +ATOM 57 CE LYS A 31 25.543 -6.988 6.439 1.00 31.90 C +ATOM 58 NZ LYS A 31 25.561 -8.096 7.463 1.00 32.60 N +ATOM 59 N PRO A 32 28.632 -3.852 1.294 1.00 27.32 N +ATOM 60 CA PRO A 32 29.752 -3.210 0.585 1.00 28.83 C +ATOM 61 C PRO A 32 30.758 -4.109 -0.155 1.00 28.49 C +ATOM 62 O PRO A 32 30.962 -3.960 -1.368 1.00 26.97 O +ATOM 63 CB PRO A 32 30.415 -2.397 1.693 1.00 30.47 C +ATOM 64 CG PRO A 32 29.249 -1.972 2.513 1.00 29.36 C +ATOM 65 CD PRO A 32 28.486 -3.257 2.637 1.00 27.44 C +ATOM 66 N LEU A 33 31.405 -5.018 0.569 1.00 28.99 N +ATOM 67 CA LEU A 33 32.370 -5.908 -0.059 1.00 30.75 C +ATOM 68 C LEU A 33 31.709 -6.751 -1.160 1.00 29.16 C +ATOM 69 O LEU A 33 32.216 -6.834 -2.292 1.00 28.31 O +ATOM 70 CB LEU A 33 33.014 -6.811 1.000 1.00 34.41 C +ATOM 71 CG LEU A 33 34.513 -6.663 1.322 1.00 36.11 C +ATOM 72 CD1 LEU A 33 34.816 -5.269 1.837 1.00 35.52 C +ATOM 73 CD2 LEU A 33 34.923 -7.714 2.356 1.00 36.44 C +ATOM 74 N LEU A 34 30.544 -7.316 -0.838 1.00 26.60 N +ATOM 75 CA LEU A 34 29.801 -8.160 -1.765 1.00 24.24 C +ATOM 76 C LEU A 34 29.264 -7.399 -2.961 1.00 23.47 C +ATOM 77 O LEU A 34 29.189 -7.933 -4.068 1.00 24.63 O +ATOM 78 CB LEU A 34 28.655 -8.872 -1.044 1.00 23.85 C +ATOM 79 CG LEU A 34 27.797 -9.797 -1.918 1.00 22.79 C +ATOM 80 CD1 LEU A 34 28.677 -10.890 -2.495 1.00 20.28 C +ATOM 81 CD2 LEU A 34 26.620 -10.369 -1.110 1.00 22.38 C +ATOM 82 N LEU A 35 28.892 -6.149 -2.747 1.00 22.96 N +ATOM 83 CA LEU A 35 28.366 -5.336 -3.833 1.00 23.98 C +ATOM 84 C LEU A 35 29.470 -5.044 -4.855 1.00 26.54 C +ATOM 85 O LEU A 35 29.231 -5.039 -6.069 1.00 27.25 O +ATOM 86 CB LEU A 35 27.784 -4.054 -3.268 1.00 22.75 C +ATOM 87 CG LEU A 35 26.684 -3.377 -4.074 1.00 23.66 C +ATOM 88 CD1 LEU A 35 27.195 -2.000 -4.438 1.00 26.56 C +ATOM 89 CD2 LEU A 35 26.257 -4.189 -5.304 1.00 21.58 C +ATOM 90 N LYS A 36 30.678 -4.830 -4.340 1.00 28.69 N +ATOM 91 CA LYS A 36 31.883 -4.570 -5.132 1.00 31.72 C +ATOM 92 C LYS A 36 32.209 -5.825 -5.981 1.00 31.71 C +ATOM 93 O LYS A 36 32.513 -5.730 -7.173 1.00 33.69 O +ATOM 94 CB LYS A 36 33.029 -4.269 -4.166 1.00 35.41 C +ATOM 95 CG LYS A 36 34.359 -4.005 -4.810 1.00 39.49 C +ATOM 96 CD LYS A 36 35.454 -4.022 -3.755 1.00 43.89 C +ATOM 97 CE LYS A 36 35.130 -3.090 -2.589 1.00 46.95 C +ATOM 98 NZ LYS A 36 36.283 -2.868 -1.655 1.00 47.38 N +ATOM 99 N LEU A 37 32.162 -6.990 -5.339 1.00 27.34 N +ATOM 100 CA LEU A 37 32.387 -8.279 -5.983 1.00 24.68 C +ATOM 101 C LEU A 37 31.378 -8.413 -7.125 1.00 25.88 C +ATOM 102 O LEU A 37 31.711 -8.866 -8.216 1.00 23.86 O +ATOM 103 CB LEU A 37 32.113 -9.371 -4.943 1.00 25.16 C +ATOM 104 CG LEU A 37 32.290 -10.884 -5.107 1.00 26.21 C +ATOM 105 CD1 LEU A 37 31.802 -11.369 -6.456 1.00 27.27 C +ATOM 106 CD2 LEU A 37 33.737 -11.232 -4.901 1.00 26.79 C +ATOM 107 N LEU A 38 30.130 -8.030 -6.846 1.00 30.28 N +ATOM 108 CA LEU A 38 29.030 -8.111 -7.813 1.00 29.47 C +ATOM 109 C LEU A 38 29.248 -7.215 -9.012 1.00 31.49 C +ATOM 110 O LEU A 38 29.178 -7.680 -10.151 1.00 31.19 O +ATOM 111 CB LEU A 38 27.696 -7.777 -7.134 1.00 24.98 C +ATOM 112 CG LEU A 38 26.681 -8.896 -6.865 1.00 20.36 C +ATOM 113 CD1 LEU A 38 27.327 -10.238 -6.748 1.00 17.92 C +ATOM 114 CD2 LEU A 38 25.941 -8.569 -5.596 1.00 20.85 C +ATOM 115 N LYS A 39 29.521 -5.934 -8.756 1.00 33.42 N +ATOM 116 CA LYS A 39 29.764 -4.979 -9.833 1.00 34.82 C +ATOM 117 C LYS A 39 30.869 -5.531 -10.710 1.00 35.75 C +ATOM 118 O LYS A 39 30.754 -5.535 -11.939 1.00 37.32 O +ATOM 119 CB LYS A 39 30.171 -3.603 -9.293 1.00 38.06 C +ATOM 120 CG LYS A 39 29.133 -2.935 -8.392 1.00 41.92 C +ATOM 121 CD LYS A 39 27.729 -3.178 -8.919 1.00 44.44 C +ATOM 122 CE LYS A 39 26.630 -2.584 -8.055 1.00 46.35 C +ATOM 123 NZ LYS A 39 26.391 -1.133 -8.324 1.00 46.80 N +ATOM 124 N SER A 40 31.889 -6.096 -10.069 1.00 36.07 N +ATOM 125 CA SER A 40 33.022 -6.663 -10.783 1.00 36.72 C +ATOM 126 C SER A 40 32.586 -7.569 -11.941 1.00 37.40 C +ATOM 127 O SER A 40 33.299 -7.675 -12.944 1.00 39.94 O +ATOM 128 CB SER A 40 33.939 -7.422 -9.816 1.00 37.52 C +ATOM 129 OG SER A 40 33.633 -8.802 -9.782 1.00 39.51 O +ATOM 130 N VAL A 41 31.416 -8.202 -11.824 1.00 34.16 N +ATOM 131 CA VAL A 41 30.957 -9.077 -12.896 1.00 30.18 C +ATOM 132 C VAL A 41 29.807 -8.535 -13.711 1.00 29.68 C +ATOM 133 O VAL A 41 29.119 -9.299 -14.378 1.00 32.08 O +ATOM 134 CB VAL A 41 30.651 -10.512 -12.411 1.00 26.76 C +ATOM 135 CG1 VAL A 41 31.934 -11.220 -12.068 1.00 26.46 C +ATOM 136 CG2 VAL A 41 29.764 -10.488 -11.204 1.00 25.44 C +ATOM 137 N GLY A 42 29.618 -7.220 -13.684 1.00 27.40 N +ATOM 138 CA GLY A 42 28.554 -6.605 -14.461 1.00 26.98 C +ATOM 139 C GLY A 42 27.242 -6.280 -13.771 1.00 29.87 C +ATOM 140 O GLY A 42 26.435 -5.515 -14.299 1.00 31.25 O +ATOM 141 N ALA A 43 27.006 -6.857 -12.599 1.00 31.86 N +ATOM 142 CA ALA A 43 25.767 -6.605 -11.863 1.00 33.11 C +ATOM 143 C ALA A 43 25.743 -5.173 -11.340 1.00 36.97 C +ATOM 144 O ALA A 43 26.183 -4.912 -10.224 1.00 37.99 O +ATOM 145 CB ALA A 43 25.629 -7.590 -10.709 1.00 31.88 C +ATOM 146 N GLN A 44 25.196 -4.258 -12.134 1.00 38.43 N +ATOM 147 CA GLN A 44 25.131 -2.841 -11.765 1.00 40.64 C +ATOM 148 C GLN A 44 23.950 -2.382 -10.881 1.00 38.73 C +ATOM 149 O GLN A 44 23.270 -1.417 -11.218 1.00 39.71 O +ATOM 150 CB GLN A 44 25.100 -1.997 -13.038 1.00 44.75 C +ATOM 151 CG GLN A 44 26.061 -2.371 -14.123 1.00 47.84 C +ATOM 152 CD GLN A 44 25.898 -1.446 -15.308 1.00 52.18 C +ATOM 153 OE1 GLN A 44 24.827 -1.385 -15.918 1.00 53.63 O +ATOM 154 NE2 GLN A 44 26.945 -0.680 -15.616 1.00 54.69 N +ATOM 155 N LYS A 45 23.712 -3.000 -9.735 1.00 36.33 N +ATOM 156 CA LYS A 45 22.587 -2.545 -8.939 1.00 35.35 C +ATOM 157 C LYS A 45 22.679 -2.802 -7.445 1.00 38.33 C +ATOM 158 O LYS A 45 23.568 -3.507 -6.978 1.00 40.86 O +ATOM 159 CB LYS A 45 21.277 -3.065 -9.526 1.00 34.15 C +ATOM 160 CG LYS A 45 21.215 -4.557 -9.704 1.00 33.47 C +ATOM 161 CD LYS A 45 19.840 -4.968 -10.170 1.00 33.07 C +ATOM 162 CE LYS A 45 19.581 -6.418 -9.848 1.00 33.29 C +ATOM 163 NZ LYS A 45 18.155 -6.740 -10.064 1.00 33.65 N +ATOM 164 N ASP A 46 21.731 -2.247 -6.703 1.00 39.51 N +ATOM 165 CA ASP A 46 21.717 -2.334 -5.253 1.00 43.18 C +ATOM 166 C ASP A 46 20.770 -3.333 -4.628 1.00 39.04 C +ATOM 167 O ASP A 46 20.897 -3.623 -3.454 1.00 39.67 O +ATOM 168 CB ASP A 46 21.387 -0.944 -4.706 1.00 53.36 C +ATOM 169 CG ASP A 46 21.760 -0.766 -3.242 1.00 63.20 C +ATOM 170 OD1 ASP A 46 22.354 -1.691 -2.634 1.00 67.17 O +ATOM 171 OD2 ASP A 46 21.475 0.336 -2.709 1.00 66.33 O +ATOM 172 N THR A 47 19.798 -3.829 -5.379 1.00 37.84 N +ATOM 173 CA THR A 47 18.826 -4.769 -4.826 1.00 37.77 C +ATOM 174 C THR A 47 18.751 -5.986 -5.729 1.00 33.96 C +ATOM 175 O THR A 47 18.709 -5.842 -6.947 1.00 34.85 O +ATOM 176 CB THR A 47 17.438 -4.093 -4.678 1.00 41.52 C +ATOM 177 OG1 THR A 47 17.606 -2.806 -4.059 1.00 44.57 O +ATOM 178 CG2 THR A 47 16.533 -4.918 -3.789 1.00 41.07 C +ATOM 179 N TYR A 48 18.757 -7.181 -5.139 1.00 29.39 N +ATOM 180 CA TYR A 48 18.751 -8.419 -5.918 1.00 25.54 C +ATOM 181 C TYR A 48 17.912 -9.518 -5.303 1.00 23.68 C +ATOM 182 O TYR A 48 17.644 -9.512 -4.108 1.00 24.17 O +ATOM 183 CB TYR A 48 20.180 -9.004 -5.990 1.00 23.33 C +ATOM 184 CG TYR A 48 21.250 -8.109 -6.562 1.00 20.34 C +ATOM 185 CD1 TYR A 48 21.808 -7.089 -5.796 1.00 19.97 C +ATOM 186 CD2 TYR A 48 21.694 -8.265 -7.875 1.00 19.16 C +ATOM 187 CE1 TYR A 48 22.770 -6.248 -6.323 1.00 18.70 C +ATOM 188 CE2 TYR A 48 22.656 -7.427 -8.400 1.00 19.06 C +ATOM 189 CZ TYR A 48 23.181 -6.424 -7.614 1.00 18.73 C +ATOM 190 OH TYR A 48 24.118 -5.576 -8.118 1.00 21.84 O +ATOM 191 N THR A 49 17.521 -10.484 -6.117 1.00 21.72 N +ATOM 192 CA THR A 49 16.819 -11.630 -5.577 1.00 22.96 C +ATOM 193 C THR A 49 17.970 -12.568 -5.189 1.00 23.47 C +ATOM 194 O THR A 49 19.105 -12.333 -5.602 1.00 21.98 O +ATOM 195 CB THR A 49 15.898 -12.290 -6.628 1.00 24.40 C +ATOM 196 OG1 THR A 49 16.624 -12.552 -7.835 1.00 25.85 O +ATOM 197 CG2 THR A 49 14.738 -11.367 -6.951 1.00 24.83 C +ATOM 198 N MET A 50 17.724 -13.577 -4.359 1.00 26.64 N +ATOM 199 CA MET A 50 18.794 -14.502 -3.998 1.00 28.05 C +ATOM 200 C MET A 50 19.413 -15.149 -5.246 1.00 28.41 C +ATOM 201 O MET A 50 20.624 -15.353 -5.303 1.00 31.46 O +ATOM 202 CB MET A 50 18.290 -15.585 -3.043 1.00 29.52 C +ATOM 203 CG MET A 50 18.786 -15.430 -1.616 1.00 31.67 C +ATOM 204 SD MET A 50 20.561 -15.673 -1.478 1.00 33.21 S +ATOM 205 CE MET A 50 20.698 -17.337 -2.115 1.00 33.22 C +ATOM 206 N LYS A 51 18.595 -15.443 -6.254 1.00 25.59 N +ATOM 207 CA LYS A 51 19.082 -16.054 -7.492 1.00 24.33 C +ATOM 208 C LYS A 51 20.123 -15.240 -8.275 1.00 20.13 C +ATOM 209 O LYS A 51 21.077 -15.814 -8.783 1.00 20.41 O +ATOM 210 CB LYS A 51 17.911 -16.421 -8.405 1.00 26.76 C +ATOM 211 CG LYS A 51 17.019 -17.491 -7.844 1.00 29.23 C +ATOM 212 CD LYS A 51 15.826 -17.759 -8.757 1.00 32.33 C +ATOM 213 CE LYS A 51 14.860 -18.758 -8.123 1.00 35.65 C +ATOM 214 NZ LYS A 51 13.726 -19.097 -9.045 1.00 39.61 N +ATOM 215 N GLU A 52 19.929 -13.927 -8.396 1.00 18.05 N +ATOM 216 CA GLU A 52 20.876 -13.065 -9.111 1.00 17.63 C +ATOM 217 C GLU A 52 22.214 -13.071 -8.387 1.00 18.96 C +ATOM 218 O GLU A 52 23.271 -13.141 -9.011 1.00 21.98 O +ATOM 219 CB GLU A 52 20.379 -11.623 -9.192 1.00 15.17 C +ATOM 220 CG GLU A 52 19.197 -11.420 -10.100 1.00 14.49 C +ATOM 221 CD GLU A 52 18.761 -9.957 -10.221 1.00 14.76 C +ATOM 222 OE1 GLU A 52 18.401 -9.331 -9.195 1.00 14.10 O +ATOM 223 OE2 GLU A 52 18.773 -9.430 -11.359 1.00 16.08 O +ATOM 224 N VAL A 53 22.162 -12.984 -7.063 1.00 16.80 N +ATOM 225 CA VAL A 53 23.367 -12.993 -6.256 1.00 15.61 C +ATOM 226 C VAL A 53 24.177 -14.251 -6.596 1.00 19.06 C +ATOM 227 O VAL A 53 25.280 -14.165 -7.121 1.00 19.53 O +ATOM 228 CB VAL A 53 23.022 -12.909 -4.732 1.00 10.83 C +ATOM 229 CG1 VAL A 53 24.221 -13.377 -3.855 1.00 9.30 C +ATOM 230 CG2 VAL A 53 22.617 -11.464 -4.356 1.00 6.78 C +ATOM 231 N LEU A 54 23.569 -15.414 -6.415 1.00 20.11 N +ATOM 232 CA LEU A 54 24.244 -16.672 -6.687 1.00 17.78 C +ATOM 233 C LEU A 54 24.751 -16.780 -8.105 1.00 18.36 C +ATOM 234 O LEU A 54 25.816 -17.334 -8.323 1.00 23.49 O +ATOM 235 CB LEU A 54 23.318 -17.850 -6.420 1.00 16.46 C +ATOM 236 CG LEU A 54 22.858 -18.137 -4.996 1.00 14.65 C +ATOM 237 CD1 LEU A 54 21.786 -19.217 -5.048 1.00 15.10 C +ATOM 238 CD2 LEU A 54 24.023 -18.574 -4.154 1.00 11.49 C +ATOM 239 N PHE A 55 23.983 -16.277 -9.065 1.00 15.68 N +ATOM 240 CA PHE A 55 24.341 -16.344 -10.489 1.00 12.20 C +ATOM 241 C PHE A 55 25.636 -15.630 -10.765 1.00 15.52 C +ATOM 242 O PHE A 55 26.546 -16.223 -11.342 1.00 17.40 O +ATOM 243 CB PHE A 55 23.223 -15.735 -11.350 1.00 6.10 C +ATOM 244 CG PHE A 55 23.615 -15.454 -12.776 1.00 1.58 C +ATOM 245 CD1 PHE A 55 23.765 -16.477 -13.688 1.00 1.07 C +ATOM 246 CD2 PHE A 55 23.835 -14.171 -13.197 1.00 1.00 C +ATOM 247 CE1 PHE A 55 24.135 -16.221 -14.999 1.00 1.00 C +ATOM 248 CE2 PHE A 55 24.200 -13.901 -14.497 1.00 1.00 C +ATOM 249 CZ PHE A 55 24.351 -14.915 -15.392 1.00 1.77 C +ATOM 250 N TYR A 56 25.697 -14.353 -10.376 1.00 18.18 N +ATOM 251 CA TYR A 56 26.886 -13.515 -10.570 1.00 21.08 C +ATOM 252 C TYR A 56 28.058 -14.009 -9.713 1.00 25.58 C +ATOM 253 O TYR A 56 29.203 -14.065 -10.171 1.00 27.28 O +ATOM 254 CB TYR A 56 26.588 -12.060 -10.211 1.00 19.30 C +ATOM 255 CG TYR A 56 25.665 -11.344 -11.164 1.00 18.72 C +ATOM 256 CD1 TYR A 56 26.036 -11.122 -12.493 1.00 19.77 C +ATOM 257 CD2 TYR A 56 24.418 -10.890 -10.739 1.00 17.69 C +ATOM 258 CE1 TYR A 56 25.187 -10.464 -13.377 1.00 19.76 C +ATOM 259 CE2 TYR A 56 23.566 -10.237 -11.602 1.00 18.54 C +ATOM 260 CZ TYR A 56 23.948 -10.022 -12.923 1.00 21.12 C +ATOM 261 OH TYR A 56 23.089 -9.339 -13.769 1.00 24.19 O +ATOM 262 N LEU A 57 27.760 -14.367 -8.468 1.00 25.21 N +ATOM 263 CA LEU A 57 28.758 -14.877 -7.542 1.00 21.43 C +ATOM 264 C LEU A 57 29.396 -16.144 -8.132 1.00 16.56 C +ATOM 265 O LEU A 57 30.583 -16.399 -7.952 1.00 16.93 O +ATOM 266 CB LEU A 57 28.097 -15.141 -6.188 1.00 21.93 C +ATOM 267 CG LEU A 57 28.991 -15.465 -4.993 1.00 23.25 C +ATOM 268 CD1 LEU A 57 30.098 -14.433 -4.883 1.00 24.87 C +ATOM 269 CD2 LEU A 57 28.163 -15.504 -3.729 1.00 22.07 C +ATOM 270 N GLY A 58 28.606 -16.903 -8.877 1.00 13.03 N +ATOM 271 CA GLY A 58 29.093 -18.105 -9.525 1.00 12.30 C +ATOM 272 C GLY A 58 29.881 -17.738 -10.769 1.00 15.61 C +ATOM 273 O GLY A 58 30.833 -18.418 -11.126 1.00 19.99 O +ATOM 274 N GLN A 59 29.489 -16.659 -11.427 1.00 14.86 N +ATOM 275 CA GLN A 59 30.166 -16.170 -12.622 1.00 16.02 C +ATOM 276 C GLN A 59 31.564 -15.657 -12.285 1.00 17.15 C +ATOM 277 O GLN A 59 32.486 -15.736 -13.091 1.00 20.04 O +ATOM 278 CB GLN A 59 29.368 -15.021 -13.216 1.00 18.21 C +ATOM 279 CG GLN A 59 28.089 -15.453 -13.826 1.00 21.13 C +ATOM 280 CD GLN A 59 28.336 -16.409 -14.942 1.00 23.42 C +ATOM 281 OE1 GLN A 59 28.794 -16.018 -16.008 1.00 26.16 O +ATOM 282 NE2 GLN A 59 28.071 -17.677 -14.700 1.00 24.91 N +ATOM 283 N TYR A 60 31.688 -15.061 -11.114 1.00 15.53 N +ATOM 284 CA TYR A 60 32.947 -14.515 -10.639 1.00 14.57 C +ATOM 285 C TYR A 60 33.933 -15.681 -10.434 1.00 16.46 C +ATOM 286 O TYR A 60 35.049 -15.679 -10.946 1.00 18.96 O +ATOM 287 CB TYR A 60 32.660 -13.784 -9.333 1.00 14.30 C +ATOM 288 CG TYR A 60 33.858 -13.295 -8.591 1.00 15.69 C +ATOM 289 CD1 TYR A 60 34.378 -12.026 -8.831 1.00 15.89 C +ATOM 290 CD2 TYR A 60 34.444 -14.077 -7.591 1.00 16.18 C +ATOM 291 CE1 TYR A 60 35.444 -11.550 -8.088 1.00 15.25 C +ATOM 292 CE2 TYR A 60 35.505 -13.607 -6.848 1.00 15.93 C +ATOM 293 CZ TYR A 60 35.996 -12.344 -7.101 1.00 16.11 C +ATOM 294 OH TYR A 60 37.017 -11.854 -6.336 1.00 18.25 O +ATOM 295 N ILE A 61 33.478 -16.702 -9.727 1.00 15.26 N +ATOM 296 CA ILE A 61 34.274 -17.877 -9.450 1.00 13.48 C +ATOM 297 C ILE A 61 34.684 -18.570 -10.724 1.00 16.31 C +ATOM 298 O ILE A 61 35.862 -18.831 -10.943 1.00 18.13 O +ATOM 299 CB ILE A 61 33.497 -18.858 -8.544 1.00 12.76 C +ATOM 300 CG1 ILE A 61 33.109 -18.151 -7.243 1.00 11.76 C +ATOM 301 CG2 ILE A 61 34.337 -20.069 -8.235 1.00 13.49 C +ATOM 302 CD1 ILE A 61 32.359 -19.041 -6.269 1.00 13.72 C +ATOM 303 N MET A 62 33.721 -18.882 -11.572 1.00 21.25 N +ATOM 304 CA MET A 62 34.048 -19.563 -12.815 1.00 26.19 C +ATOM 305 C MET A 62 35.038 -18.750 -13.618 1.00 26.57 C +ATOM 306 O MET A 62 36.084 -19.245 -14.022 1.00 27.73 O +ATOM 307 CB MET A 62 32.801 -19.801 -13.656 1.00 32.22 C +ATOM 308 CG MET A 62 32.041 -21.059 -13.299 1.00 40.65 C +ATOM 309 SD MET A 62 30.444 -21.159 -14.164 1.00 48.52 S +ATOM 310 CE MET A 62 29.206 -21.058 -12.752 1.00 48.60 C +ATOM 311 N THR A 63 34.719 -17.482 -13.804 1.00 26.49 N +ATOM 312 CA THR A 63 35.548 -16.577 -14.580 1.00 27.67 C +ATOM 313 C THR A 63 37.002 -16.428 -14.136 1.00 24.94 C +ATOM 314 O THR A 63 37.910 -16.429 -14.972 1.00 26.27 O +ATOM 315 CB THR A 63 34.862 -15.234 -14.662 1.00 32.91 C +ATOM 316 OG1 THR A 63 33.709 -15.368 -15.505 1.00 36.10 O +ATOM 317 CG2 THR A 63 35.789 -14.178 -15.199 1.00 36.18 C +ATOM 318 N LYS A 64 37.218 -16.302 -12.829 1.00 20.57 N +ATOM 319 CA LYS A 64 38.555 -16.168 -12.265 1.00 16.27 C +ATOM 320 C LYS A 64 39.105 -17.538 -11.869 1.00 17.22 C +ATOM 321 O LYS A 64 39.920 -17.652 -10.968 1.00 20.18 O +ATOM 322 CB LYS A 64 38.495 -15.265 -11.039 1.00 16.24 C +ATOM 323 CG LYS A 64 38.056 -13.868 -11.370 1.00 19.29 C +ATOM 324 CD LYS A 64 38.081 -12.988 -10.149 1.00 22.86 C +ATOM 325 CE LYS A 64 39.487 -12.826 -9.614 1.00 26.64 C +ATOM 326 NZ LYS A 64 39.479 -11.939 -8.409 1.00 29.52 N +ATOM 327 N ARG A 65 38.631 -18.575 -12.545 1.00 17.49 N +ATOM 328 CA ARG A 65 38.997 -19.964 -12.295 1.00 14.49 C +ATOM 329 C ARG A 65 39.410 -20.287 -10.874 1.00 14.03 C +ATOM 330 O ARG A 65 40.351 -21.044 -10.665 1.00 17.94 O +ATOM 331 CB ARG A 65 40.070 -20.431 -13.261 1.00 14.75 C +ATOM 332 CG ARG A 65 39.838 -20.028 -14.703 1.00 17.60 C +ATOM 333 CD ARG A 65 40.309 -21.126 -15.650 1.00 22.61 C +ATOM 334 NE ARG A 65 41.729 -21.456 -15.510 1.00 28.14 N +ATOM 335 CZ ARG A 65 42.190 -22.697 -15.392 1.00 34.90 C +ATOM 336 NH1 ARG A 65 41.349 -23.723 -15.395 1.00 38.13 N +ATOM 337 NH2 ARG A 65 43.493 -22.920 -15.289 1.00 38.07 N +ATOM 338 N LEU A 66 38.652 -19.796 -9.898 1.00 10.97 N +ATOM 339 CA LEU A 66 38.983 -20.045 -8.498 1.00 9.06 C +ATOM 340 C LEU A 66 38.692 -21.446 -7.968 1.00 9.71 C +ATOM 341 O LEU A 66 38.925 -21.724 -6.780 1.00 13.68 O +ATOM 342 CB LEU A 66 38.297 -19.034 -7.589 1.00 7.18 C +ATOM 343 CG LEU A 66 38.524 -17.554 -7.819 1.00 6.89 C +ATOM 344 CD1 LEU A 66 37.780 -16.767 -6.748 1.00 5.18 C +ATOM 345 CD2 LEU A 66 40.002 -17.272 -7.753 1.00 8.57 C +ATOM 346 N TYR A 67 38.179 -22.331 -8.806 1.00 8.57 N +ATOM 347 CA TYR A 67 37.861 -23.681 -8.338 1.00 12.51 C +ATOM 348 C TYR A 67 39.016 -24.624 -8.635 1.00 16.43 C +ATOM 349 O TYR A 67 39.865 -24.328 -9.477 1.00 19.05 O +ATOM 350 CB TYR A 67 36.567 -24.197 -8.995 1.00 11.42 C +ATOM 351 CG TYR A 67 36.529 -23.987 -10.501 1.00 15.91 C +ATOM 352 CD1 TYR A 67 37.095 -24.922 -11.377 1.00 18.44 C +ATOM 353 CD2 TYR A 67 35.967 -22.837 -11.052 1.00 17.76 C +ATOM 354 CE1 TYR A 67 37.102 -24.717 -12.744 1.00 17.83 C +ATOM 355 CE2 TYR A 67 35.975 -22.623 -12.422 1.00 19.57 C +ATOM 356 CZ TYR A 67 36.544 -23.567 -13.259 1.00 20.81 C +ATOM 357 OH TYR A 67 36.557 -23.357 -14.625 1.00 26.44 O +ATOM 358 N ASP A 68 39.070 -25.746 -7.926 1.00 16.73 N +ATOM 359 CA ASP A 68 40.119 -26.715 -8.163 1.00 19.56 C +ATOM 360 C ASP A 68 39.798 -27.404 -9.468 1.00 24.40 C +ATOM 361 O ASP A 68 38.656 -27.763 -9.727 1.00 28.26 O +ATOM 362 CB ASP A 68 40.187 -27.747 -7.054 1.00 19.74 C +ATOM 363 CG ASP A 68 41.407 -28.627 -7.173 1.00 19.84 C +ATOM 364 OD1 ASP A 68 42.476 -28.209 -6.693 1.00 22.77 O +ATOM 365 OD2 ASP A 68 41.311 -29.715 -7.763 1.00 19.07 O +ATOM 366 N GLU A 69 40.820 -27.662 -10.259 1.00 26.47 N +ATOM 367 CA GLU A 69 40.616 -28.281 -11.551 1.00 26.24 C +ATOM 368 C GLU A 69 40.161 -29.725 -11.510 1.00 27.23 C +ATOM 369 O GLU A 69 39.405 -30.182 -12.373 1.00 26.72 O +ATOM 370 CB GLU A 69 41.887 -28.180 -12.355 1.00 27.13 C +ATOM 371 CG GLU A 69 41.645 -28.315 -13.830 1.00 29.09 C +ATOM 372 CD GLU A 69 41.219 -27.024 -14.466 1.00 30.90 C +ATOM 373 OE1 GLU A 69 41.178 -25.975 -13.769 1.00 30.71 O +ATOM 374 OE2 GLU A 69 40.941 -27.076 -15.679 1.00 33.03 O +ATOM 375 N LYS A 70 40.657 -30.461 -10.529 1.00 30.01 N +ATOM 376 CA LYS A 70 40.297 -31.861 -10.402 1.00 34.47 C +ATOM 377 C LYS A 70 39.040 -32.074 -9.557 1.00 34.65 C +ATOM 378 O LYS A 70 38.120 -32.769 -9.971 1.00 38.08 O +ATOM 379 CB LYS A 70 41.490 -32.678 -9.875 1.00 40.08 C +ATOM 380 CG LYS A 70 42.609 -32.959 -10.934 1.00 45.97 C +ATOM 381 CD LYS A 70 43.362 -31.687 -11.431 1.00 50.20 C +ATOM 382 CE LYS A 70 44.171 -30.995 -10.309 1.00 53.12 C +ATOM 383 NZ LYS A 70 44.770 -29.677 -10.699 1.00 54.32 N +ATOM 384 N GLN A 71 39.005 -31.485 -8.371 1.00 30.70 N +ATOM 385 CA GLN A 71 37.857 -31.604 -7.484 1.00 27.30 C +ATOM 386 C GLN A 71 37.161 -30.259 -7.563 1.00 21.02 C +ATOM 387 O GLN A 71 37.289 -29.436 -6.666 1.00 18.60 O +ATOM 388 CB GLN A 71 38.352 -31.883 -6.068 1.00 32.17 C +ATOM 389 CG GLN A 71 38.983 -33.246 -5.920 1.00 37.01 C +ATOM 390 CD GLN A 71 37.950 -34.357 -5.964 1.00 43.82 C +ATOM 391 OE1 GLN A 71 37.068 -34.430 -5.110 1.00 47.96 O +ATOM 392 NE2 GLN A 71 38.040 -35.215 -6.968 1.00 44.79 N +ATOM 393 N GLN A 72 36.399 -30.056 -8.633 1.00 20.30 N +ATOM 394 CA GLN A 72 35.719 -28.784 -8.896 1.00 16.73 C +ATOM 395 C GLN A 72 34.859 -28.192 -7.812 1.00 15.22 C +ATOM 396 O GLN A 72 34.446 -27.045 -7.919 1.00 17.63 O +ATOM 397 CB GLN A 72 34.930 -28.851 -10.190 1.00 16.67 C +ATOM 398 CG GLN A 72 35.723 -29.443 -11.328 1.00 19.27 C +ATOM 399 CD GLN A 72 35.798 -28.544 -12.540 1.00 22.33 C +ATOM 400 OE1 GLN A 72 34.920 -27.711 -12.792 1.00 22.68 O +ATOM 401 NE2 GLN A 72 36.844 -28.726 -13.323 1.00 25.00 N +ATOM 402 N HIS A 73 34.592 -28.958 -6.763 1.00 14.02 N +ATOM 403 CA HIS A 73 33.791 -28.456 -5.652 1.00 13.96 C +ATOM 404 C HIS A 73 34.620 -27.629 -4.661 1.00 15.64 C +ATOM 405 O HIS A 73 34.056 -27.010 -3.742 1.00 17.41 O +ATOM 406 CB HIS A 73 33.074 -29.604 -4.931 1.00 14.80 C +ATOM 407 CG HIS A 73 33.991 -30.572 -4.261 1.00 16.64 C +ATOM 408 ND1 HIS A 73 34.318 -30.488 -2.924 1.00 18.85 N +ATOM 409 CD2 HIS A 73 34.639 -31.664 -4.736 1.00 15.41 C +ATOM 410 CE1 HIS A 73 35.124 -31.485 -2.604 1.00 16.68 C +ATOM 411 NE2 HIS A 73 35.335 -32.212 -3.686 1.00 15.48 N +ATOM 412 N ILE A 74 35.950 -27.646 -4.831 1.00 12.87 N +ATOM 413 CA ILE A 74 36.865 -26.894 -3.970 1.00 9.08 C +ATOM 414 C ILE A 74 37.119 -25.524 -4.577 1.00 5.48 C +ATOM 415 O ILE A 74 37.492 -25.418 -5.727 1.00 8.13 O +ATOM 416 CB ILE A 74 38.243 -27.630 -3.779 1.00 12.08 C +ATOM 417 CG1 ILE A 74 38.039 -29.024 -3.161 1.00 11.72 C +ATOM 418 CG2 ILE A 74 39.174 -26.832 -2.801 1.00 10.17 C +ATOM 419 CD1 ILE A 74 37.636 -28.963 -1.719 1.00 10.84 C +ATOM 420 N VAL A 75 36.889 -24.475 -3.812 1.00 2.49 N +ATOM 421 CA VAL A 75 37.130 -23.129 -4.293 1.00 4.31 C +ATOM 422 C VAL A 75 38.140 -22.513 -3.333 1.00 9.01 C +ATOM 423 O VAL A 75 38.054 -22.707 -2.115 1.00 10.49 O +ATOM 424 CB VAL A 75 35.840 -22.317 -4.362 1.00 3.43 C +ATOM 425 CG1 VAL A 75 36.107 -20.894 -4.774 1.00 1.00 C +ATOM 426 CG2 VAL A 75 34.913 -22.964 -5.355 1.00 4.30 C +ATOM 427 N TYR A 76 39.133 -21.847 -3.916 1.00 10.57 N +ATOM 428 CA TYR A 76 40.251 -21.237 -3.201 1.00 9.82 C +ATOM 429 C TYR A 76 40.091 -19.749 -3.237 1.00 13.54 C +ATOM 430 O TYR A 76 40.024 -19.179 -4.315 1.00 17.59 O +ATOM 431 CB TYR A 76 41.537 -21.582 -3.943 1.00 6.09 C +ATOM 432 CG TYR A 76 41.844 -23.073 -4.072 1.00 2.63 C +ATOM 433 CD1 TYR A 76 42.331 -23.796 -2.995 1.00 1.00 C +ATOM 434 CD2 TYR A 76 41.733 -23.719 -5.294 1.00 1.49 C +ATOM 435 CE1 TYR A 76 42.714 -25.101 -3.136 1.00 1.00 C +ATOM 436 CE2 TYR A 76 42.105 -25.032 -5.437 1.00 1.00 C +ATOM 437 CZ TYR A 76 42.600 -25.715 -4.354 1.00 1.93 C +ATOM 438 OH TYR A 76 43.024 -27.023 -4.493 1.00 5.30 O +ATOM 439 N CYS A 77 40.135 -19.090 -2.089 1.00 15.15 N +ATOM 440 CA CYS A 77 39.927 -17.653 -2.094 1.00 17.24 C +ATOM 441 C CYS A 77 40.798 -16.855 -1.166 1.00 19.10 C +ATOM 442 O CYS A 77 40.527 -15.676 -0.938 1.00 15.49 O +ATOM 443 CB CYS A 77 38.449 -17.351 -1.822 1.00 18.53 C +ATOM 444 SG CYS A 77 37.662 -18.378 -0.536 1.00 18.57 S +ATOM 445 N SER A 78 41.895 -17.469 -0.730 1.00 26.56 N +ATOM 446 CA SER A 78 42.874 -16.862 0.185 1.00 33.89 C +ATOM 447 C SER A 78 43.454 -15.587 -0.381 1.00 38.51 C +ATOM 448 O SER A 78 43.584 -14.563 0.294 1.00 42.17 O +ATOM 449 CB SER A 78 44.009 -17.847 0.444 1.00 34.90 C +ATOM 450 OG SER A 78 44.316 -18.547 -0.754 1.00 37.68 O +ATOM 451 N ASN A 79 43.779 -15.664 -1.653 1.00 39.64 N +ATOM 452 CA ASN A 79 44.366 -14.559 -2.394 1.00 43.62 C +ATOM 453 C ASN A 79 43.268 -13.694 -2.983 1.00 40.29 C +ATOM 454 O ASN A 79 43.551 -12.851 -3.836 1.00 39.90 O +ATOM 455 CB ASN A 79 45.102 -15.171 -3.579 1.00 49.71 C +ATOM 456 CG ASN A 79 44.178 -16.081 -4.420 1.00 53.95 C +ATOM 457 OD1 ASN A 79 43.807 -17.195 -3.989 1.00 55.43 O +ATOM 458 ND2 ASN A 79 43.749 -15.579 -5.581 1.00 54.43 N +ATOM 459 N ASP A 80 42.035 -13.869 -2.512 1.00 36.87 N +ATOM 460 CA ASP A 80 40.908 -13.190 -3.130 1.00 29.52 C +ATOM 461 C ASP A 80 39.959 -12.435 -2.231 1.00 27.60 C +ATOM 462 O ASP A 80 39.762 -12.820 -1.095 1.00 26.69 O +ATOM 463 CB ASP A 80 40.117 -14.258 -3.882 1.00 25.03 C +ATOM 464 CG ASP A 80 39.365 -13.714 -5.050 1.00 22.21 C +ATOM 465 OD1 ASP A 80 40.031 -13.307 -6.019 1.00 22.42 O +ATOM 466 OD2 ASP A 80 38.113 -13.724 -5.006 1.00 20.56 O +ATOM 467 N LEU A 81 39.310 -11.414 -2.804 1.00 28.92 N +ATOM 468 CA LEU A 81 38.294 -10.583 -2.133 1.00 30.59 C +ATOM 469 C LEU A 81 37.167 -11.478 -1.609 1.00 27.06 C +ATOM 470 O LEU A 81 36.514 -11.165 -0.620 1.00 27.06 O +ATOM 471 CB LEU A 81 37.703 -9.566 -3.128 1.00 37.34 C +ATOM 472 CG LEU A 81 36.292 -8.950 -2.964 1.00 42.99 C +ATOM 473 CD1 LEU A 81 36.205 -7.965 -1.782 1.00 44.45 C +ATOM 474 CD2 LEU A 81 35.909 -8.232 -4.262 1.00 43.58 C +ATOM 475 N LEU A 82 36.928 -12.576 -2.314 1.00 23.26 N +ATOM 476 CA LEU A 82 35.923 -13.537 -1.940 1.00 18.87 C +ATOM 477 C LEU A 82 36.295 -14.064 -0.568 1.00 20.31 C +ATOM 478 O LEU A 82 35.435 -14.279 0.266 1.00 22.63 O +ATOM 479 CB LEU A 82 35.927 -14.665 -2.956 1.00 18.68 C +ATOM 480 CG LEU A 82 34.818 -15.699 -2.920 1.00 16.28 C +ATOM 481 CD1 LEU A 82 33.477 -14.974 -2.843 1.00 17.88 C +ATOM 482 CD2 LEU A 82 34.923 -16.545 -4.168 1.00 11.40 C +ATOM 483 N GLY A 83 37.587 -14.250 -0.331 1.00 21.34 N +ATOM 484 CA GLY A 83 38.059 -14.747 0.954 1.00 19.72 C +ATOM 485 C GLY A 83 37.901 -13.695 2.031 1.00 22.61 C +ATOM 486 O GLY A 83 37.665 -14.045 3.183 1.00 25.72 O +ATOM 487 N ASP A 84 38.074 -12.416 1.681 1.00 24.08 N +ATOM 488 CA ASP A 84 37.917 -11.315 2.639 1.00 27.82 C +ATOM 489 C ASP A 84 36.469 -11.369 3.053 1.00 32.42 C +ATOM 490 O ASP A 84 36.142 -11.324 4.234 1.00 36.61 O +ATOM 491 CB ASP A 84 38.150 -9.953 1.978 1.00 31.47 C +ATOM 492 CG ASP A 84 39.600 -9.712 1.592 1.00 35.83 C +ATOM 493 OD1 ASP A 84 40.356 -10.688 1.379 1.00 38.48 O +ATOM 494 OD2 ASP A 84 39.984 -8.528 1.482 1.00 36.32 O +ATOM 495 N LEU A 85 35.621 -11.493 2.035 1.00 33.28 N +ATOM 496 CA LEU A 85 34.172 -11.582 2.136 1.00 31.28 C +ATOM 497 C LEU A 85 33.722 -12.742 3.012 1.00 28.59 C +ATOM 498 O LEU A 85 33.153 -12.529 4.074 1.00 32.02 O +ATOM 499 CB LEU A 85 33.599 -11.783 0.736 1.00 32.23 C +ATOM 500 CG LEU A 85 32.135 -11.469 0.508 1.00 33.98 C +ATOM 501 CD1 LEU A 85 32.041 -9.998 0.291 1.00 34.37 C +ATOM 502 CD2 LEU A 85 31.618 -12.202 -0.714 1.00 34.90 C +ATOM 503 N PHE A 86 33.970 -13.968 2.563 1.00 24.06 N +ATOM 504 CA PHE A 86 33.565 -15.157 3.314 1.00 22.65 C +ATOM 505 C PHE A 86 34.372 -15.379 4.573 1.00 20.98 C +ATOM 506 O PHE A 86 33.963 -16.148 5.432 1.00 21.83 O +ATOM 507 CB PHE A 86 33.643 -16.418 2.440 1.00 23.60 C +ATOM 508 CG PHE A 86 32.600 -16.475 1.346 1.00 25.25 C +ATOM 509 CD1 PHE A 86 31.609 -15.496 1.245 1.00 26.07 C +ATOM 510 CD2 PHE A 86 32.587 -17.519 0.439 1.00 26.99 C +ATOM 511 CE1 PHE A 86 30.628 -15.561 0.261 1.00 26.66 C +ATOM 512 CE2 PHE A 86 31.605 -17.596 -0.552 1.00 27.82 C +ATOM 513 CZ PHE A 86 30.627 -16.614 -0.638 1.00 28.09 C +ATOM 514 N GLY A 87 35.528 -14.727 4.660 1.00 20.07 N +ATOM 515 CA GLY A 87 36.406 -14.864 5.809 1.00 19.32 C +ATOM 516 C GLY A 87 37.016 -16.250 5.963 1.00 20.03 C +ATOM 517 O GLY A 87 37.169 -16.739 7.091 1.00 20.31 O +ATOM 518 N VAL A 88 37.337 -16.909 4.848 1.00 19.28 N +ATOM 519 CA VAL A 88 37.939 -18.256 4.889 1.00 18.20 C +ATOM 520 C VAL A 88 38.922 -18.424 3.734 1.00 19.23 C +ATOM 521 O VAL A 88 38.795 -17.764 2.700 1.00 22.03 O +ATOM 522 CB VAL A 88 36.879 -19.420 4.797 1.00 16.54 C +ATOM 523 CG1 VAL A 88 36.041 -19.490 6.046 1.00 13.24 C +ATOM 524 CG2 VAL A 88 36.008 -19.285 3.534 1.00 16.74 C +ATOM 525 N PRO A 89 39.936 -19.292 3.910 1.00 17.26 N +ATOM 526 CA PRO A 89 40.940 -19.547 2.873 1.00 15.01 C +ATOM 527 C PRO A 89 40.341 -20.305 1.690 1.00 16.26 C +ATOM 528 O PRO A 89 40.595 -19.957 0.536 1.00 20.02 O +ATOM 529 CB PRO A 89 41.987 -20.374 3.615 1.00 14.47 C +ATOM 530 CG PRO A 89 41.193 -21.108 4.634 1.00 14.57 C +ATOM 531 CD PRO A 89 40.272 -20.026 5.142 1.00 16.66 C +ATOM 532 N SER A 90 39.537 -21.327 1.968 1.00 14.88 N +ATOM 533 CA SER A 90 38.893 -22.107 0.918 1.00 15.30 C +ATOM 534 C SER A 90 37.525 -22.660 1.386 1.00 17.77 C +ATOM 535 O SER A 90 37.172 -22.532 2.562 1.00 17.21 O +ATOM 536 CB SER A 90 39.825 -23.238 0.476 1.00 13.07 C +ATOM 537 OG SER A 90 40.003 -24.201 1.499 1.00 10.50 O +ATOM 538 N PHE A 91 36.747 -23.242 0.471 1.00 17.71 N +ATOM 539 CA PHE A 91 35.443 -23.810 0.832 1.00 13.01 C +ATOM 540 C PHE A 91 34.952 -24.861 -0.174 1.00 13.62 C +ATOM 541 O PHE A 91 35.483 -24.952 -1.278 1.00 14.61 O +ATOM 542 CB PHE A 91 34.398 -22.696 1.069 1.00 9.68 C +ATOM 543 CG PHE A 91 34.044 -21.860 -0.158 1.00 5.81 C +ATOM 544 CD1 PHE A 91 33.094 -22.293 -1.067 1.00 6.55 C +ATOM 545 CD2 PHE A 91 34.579 -20.596 -0.338 1.00 5.77 C +ATOM 546 CE1 PHE A 91 32.671 -21.477 -2.129 1.00 5.62 C +ATOM 547 CE2 PHE A 91 34.164 -19.782 -1.392 1.00 5.00 C +ATOM 548 CZ PHE A 91 33.209 -20.230 -2.280 1.00 6.43 C +ATOM 549 N SER A 92 34.014 -25.714 0.241 1.00 13.98 N +ATOM 550 CA SER A 92 33.450 -26.746 -0.627 1.00 12.99 C +ATOM 551 C SER A 92 32.038 -26.359 -0.998 1.00 14.71 C +ATOM 552 O SER A 92 31.181 -26.253 -0.122 1.00 15.05 O +ATOM 553 CB SER A 92 33.399 -28.074 0.099 1.00 15.88 C +ATOM 554 OG SER A 92 32.677 -29.051 -0.652 1.00 19.78 O +ATOM 555 N VAL A 93 31.773 -26.173 -2.288 1.00 17.37 N +ATOM 556 CA VAL A 93 30.426 -25.784 -2.700 1.00 18.30 C +ATOM 557 C VAL A 93 29.429 -26.853 -2.295 1.00 20.89 C +ATOM 558 O VAL A 93 28.225 -26.606 -2.273 1.00 25.39 O +ATOM 559 CB VAL A 93 30.275 -25.513 -4.223 1.00 15.03 C +ATOM 560 CG1 VAL A 93 31.333 -24.544 -4.718 1.00 16.89 C +ATOM 561 CG2 VAL A 93 30.274 -26.792 -4.990 1.00 12.62 C +ATOM 562 N LYS A 94 29.934 -28.030 -1.951 1.00 16.49 N +ATOM 563 CA LYS A 94 29.078 -29.107 -1.549 1.00 15.72 C +ATOM 564 C LYS A 94 28.532 -28.949 -0.138 1.00 19.47 C +ATOM 565 O LYS A 94 27.718 -29.751 0.296 1.00 21.41 O +ATOM 566 CB LYS A 94 29.817 -30.419 -1.646 1.00 17.53 C +ATOM 567 CG LYS A 94 30.080 -30.892 -3.033 1.00 19.31 C +ATOM 568 CD LYS A 94 30.722 -32.253 -2.946 1.00 23.17 C +ATOM 569 CE LYS A 94 30.952 -32.844 -4.316 1.00 28.08 C +ATOM 570 NZ LYS A 94 31.566 -34.209 -4.222 1.00 30.82 N +ATOM 571 N GLU A 95 28.985 -27.954 0.609 1.00 22.29 N +ATOM 572 CA GLU A 95 28.477 -27.767 1.956 1.00 23.82 C +ATOM 573 C GLU A 95 27.485 -26.624 1.876 1.00 22.81 C +ATOM 574 O GLU A 95 27.821 -25.478 2.202 1.00 22.39 O +ATOM 575 CB GLU A 95 29.601 -27.367 2.890 1.00 31.07 C +ATOM 576 CG GLU A 95 30.820 -28.239 2.853 1.00 37.59 C +ATOM 577 CD GLU A 95 31.989 -27.593 3.595 1.00 43.46 C +ATOM 578 OE1 GLU A 95 32.296 -26.392 3.349 1.00 43.63 O +ATOM 579 OE2 GLU A 95 32.599 -28.297 4.429 1.00 46.58 O +ATOM 580 N HIS A 96 26.252 -26.947 1.488 1.00 21.86 N +ATOM 581 CA HIS A 96 25.184 -25.952 1.309 1.00 18.69 C +ATOM 582 C HIS A 96 24.900 -25.057 2.510 1.00 18.22 C +ATOM 583 O HIS A 96 24.782 -23.842 2.369 1.00 18.94 O +ATOM 584 CB HIS A 96 23.890 -26.617 0.839 1.00 17.58 C +ATOM 585 CG HIS A 96 24.017 -27.365 -0.457 1.00 16.90 C +ATOM 586 ND1 HIS A 96 24.923 -27.019 -1.434 1.00 15.62 N +ATOM 587 CD2 HIS A 96 23.371 -28.460 -0.919 1.00 18.23 C +ATOM 588 CE1 HIS A 96 24.839 -27.875 -2.440 1.00 16.07 C +ATOM 589 NE2 HIS A 96 23.904 -28.759 -2.151 1.00 17.70 N +ATOM 590 N ARG A 97 24.798 -25.638 3.694 1.00 17.37 N +ATOM 591 CA ARG A 97 24.525 -24.832 4.873 1.00 15.09 C +ATOM 592 C ARG A 97 25.645 -23.820 5.118 1.00 16.62 C +ATOM 593 O ARG A 97 25.395 -22.678 5.494 1.00 16.57 O +ATOM 594 CB ARG A 97 24.314 -25.730 6.093 1.00 12.02 C +ATOM 595 CG ARG A 97 23.811 -24.994 7.323 1.00 11.33 C +ATOM 596 CD ARG A 97 23.642 -25.948 8.472 1.00 12.38 C +ATOM 597 NE ARG A 97 22.697 -27.032 8.216 1.00 15.31 N +ATOM 598 CZ ARG A 97 21.422 -27.040 8.630 1.00 17.96 C +ATOM 599 NH1 ARG A 97 20.921 -26.012 9.312 1.00 15.89 N +ATOM 600 NH2 ARG A 97 20.666 -28.118 8.441 1.00 18.19 N +ATOM 601 N LYS A 98 26.883 -24.219 4.861 1.00 19.25 N +ATOM 602 CA LYS A 98 27.998 -23.312 5.072 1.00 20.50 C +ATOM 603 C LYS A 98 27.983 -22.184 4.079 1.00 18.09 C +ATOM 604 O LYS A 98 28.003 -21.023 4.478 1.00 20.14 O +ATOM 605 CB LYS A 98 29.324 -24.039 4.974 1.00 27.06 C +ATOM 606 CG LYS A 98 29.808 -24.623 6.264 1.00 33.25 C +ATOM 607 CD LYS A 98 31.240 -25.071 6.082 1.00 39.81 C +ATOM 608 CE LYS A 98 32.090 -23.947 5.472 1.00 44.47 C +ATOM 609 NZ LYS A 98 32.296 -22.815 6.427 1.00 47.34 N +ATOM 610 N ILE A 99 27.949 -22.524 2.788 1.00 15.40 N +ATOM 611 CA ILE A 99 27.938 -21.523 1.717 1.00 15.01 C +ATOM 612 C ILE A 99 26.802 -20.529 1.923 1.00 17.44 C +ATOM 613 O ILE A 99 27.014 -19.307 1.926 1.00 18.10 O +ATOM 614 CB ILE A 99 27.728 -22.153 0.328 1.00 15.52 C +ATOM 615 CG1 ILE A 99 28.645 -23.348 0.118 1.00 16.84 C +ATOM 616 CG2 ILE A 99 28.032 -21.138 -0.728 1.00 16.45 C +ATOM 617 CD1 ILE A 99 30.108 -22.999 0.168 1.00 18.50 C +ATOM 618 N TYR A 100 25.598 -21.070 2.126 1.00 19.20 N +ATOM 619 CA TYR A 100 24.403 -20.267 2.326 1.00 18.81 C +ATOM 620 C TYR A 100 24.547 -19.345 3.510 1.00 16.22 C +ATOM 621 O TYR A 100 24.117 -18.185 3.454 1.00 19.82 O +ATOM 622 CB TYR A 100 23.190 -21.153 2.496 1.00 24.97 C +ATOM 623 CG TYR A 100 21.898 -20.417 2.284 1.00 30.83 C +ATOM 624 CD1 TYR A 100 21.482 -20.044 1.004 1.00 31.83 C +ATOM 625 CD2 TYR A 100 21.095 -20.079 3.366 1.00 35.02 C +ATOM 626 CE1 TYR A 100 20.306 -19.348 0.814 1.00 34.30 C +ATOM 627 CE2 TYR A 100 19.917 -19.384 3.192 1.00 37.14 C +ATOM 628 CZ TYR A 100 19.526 -19.019 1.921 1.00 38.42 C +ATOM 629 OH TYR A 100 18.367 -18.281 1.803 1.00 42.34 O +ATOM 630 N THR A 101 25.186 -19.830 4.566 1.00 11.06 N +ATOM 631 CA THR A 101 25.388 -18.998 5.738 1.00 13.10 C +ATOM 632 C THR A 101 26.369 -17.858 5.493 1.00 11.97 C +ATOM 633 O THR A 101 26.133 -16.706 5.874 1.00 11.20 O +ATOM 634 CB THR A 101 25.880 -19.837 6.946 1.00 19.30 C +ATOM 635 OG1 THR A 101 24.880 -20.809 7.296 1.00 23.86 O +ATOM 636 CG2 THR A 101 26.154 -18.938 8.162 1.00 18.32 C +ATOM 637 N MET A 102 27.494 -18.180 4.873 1.00 13.67 N +ATOM 638 CA MET A 102 28.506 -17.169 4.622 1.00 14.03 C +ATOM 639 C MET A 102 27.932 -16.089 3.752 1.00 13.43 C +ATOM 640 O MET A 102 28.082 -14.910 4.059 1.00 13.36 O +ATOM 641 CB MET A 102 29.748 -17.787 3.990 1.00 15.52 C +ATOM 642 CG MET A 102 30.469 -18.757 4.907 1.00 16.74 C +ATOM 643 SD MET A 102 32.005 -19.317 4.198 1.00 19.43 S +ATOM 644 CE MET A 102 31.533 -20.724 3.326 1.00 17.64 C +ATOM 645 N ILE A 103 27.232 -16.506 2.697 1.00 15.07 N +ATOM 646 CA ILE A 103 26.593 -15.577 1.774 1.00 17.58 C +ATOM 647 C ILE A 103 25.575 -14.690 2.508 1.00 20.37 C +ATOM 648 O ILE A 103 25.527 -13.486 2.277 1.00 18.95 O +ATOM 649 CB ILE A 103 25.883 -16.321 0.634 1.00 17.88 C +ATOM 650 CG1 ILE A 103 26.896 -17.111 -0.193 1.00 17.49 C +ATOM 651 CG2 ILE A 103 25.152 -15.335 -0.267 1.00 17.47 C +ATOM 652 CD1 ILE A 103 26.266 -17.985 -1.286 1.00 15.46 C +ATOM 653 N TYR A 104 24.791 -15.269 3.417 1.00 26.57 N +ATOM 654 CA TYR A 104 23.812 -14.487 4.168 1.00 30.90 C +ATOM 655 C TYR A 104 24.384 -13.445 5.095 1.00 31.73 C +ATOM 656 O TYR A 104 23.786 -12.399 5.278 1.00 31.18 O +ATOM 657 CB TYR A 104 22.841 -15.375 4.922 1.00 36.22 C +ATOM 658 CG TYR A 104 21.502 -15.350 4.254 1.00 43.21 C +ATOM 659 CD1 TYR A 104 21.219 -16.222 3.208 1.00 46.10 C +ATOM 660 CD2 TYR A 104 20.546 -14.381 4.591 1.00 47.20 C +ATOM 661 CE1 TYR A 104 20.031 -16.134 2.505 1.00 49.00 C +ATOM 662 CE2 TYR A 104 19.338 -14.286 3.885 1.00 50.18 C +ATOM 663 CZ TYR A 104 19.091 -15.175 2.840 1.00 51.57 C +ATOM 664 OH TYR A 104 17.904 -15.133 2.138 1.00 53.78 O +ATOM 665 N ARG A 105 25.558 -13.712 5.652 1.00 35.53 N +ATOM 666 CA ARG A 105 26.227 -12.764 6.549 1.00 34.37 C +ATOM 667 C ARG A 105 26.539 -11.468 5.814 1.00 30.61 C +ATOM 668 O ARG A 105 26.762 -10.429 6.439 1.00 32.92 O +ATOM 669 CB ARG A 105 27.538 -13.365 7.096 1.00 38.15 C +ATOM 670 CG ARG A 105 27.350 -14.668 7.876 1.00 43.81 C +ATOM 671 CD ARG A 105 28.516 -14.975 8.808 1.00 49.18 C +ATOM 672 NE ARG A 105 29.578 -15.760 8.174 1.00 54.51 N +ATOM 673 CZ ARG A 105 30.684 -15.253 7.623 1.00 57.35 C +ATOM 674 NH1 ARG A 105 30.904 -13.938 7.603 1.00 58.70 N +ATOM 675 NH2 ARG A 105 31.589 -16.072 7.106 1.00 57.31 N +ATOM 676 N ASN A 106 26.546 -11.532 4.487 1.00 27.25 N +ATOM 677 CA ASN A 106 26.864 -10.377 3.657 1.00 27.34 C +ATOM 678 C ASN A 106 25.679 -9.699 3.022 1.00 27.34 C +ATOM 679 O ASN A 106 25.842 -8.848 2.149 1.00 25.54 O +ATOM 680 CB ASN A 106 27.853 -10.770 2.563 1.00 30.39 C +ATOM 681 CG ASN A 106 29.258 -10.946 3.091 1.00 30.78 C +ATOM 682 OD1 ASN A 106 29.664 -12.058 3.420 1.00 31.77 O +ATOM 683 ND2 ASN A 106 30.002 -9.839 3.207 1.00 28.54 N +ATOM 684 N LEU A 107 24.487 -10.065 3.465 1.00 29.67 N +ATOM 685 CA LEU A 107 23.276 -9.482 2.929 1.00 28.94 C +ATOM 686 C LEU A 107 22.467 -8.866 4.044 1.00 30.37 C +ATOM 687 O LEU A 107 22.684 -9.133 5.225 1.00 29.22 O +ATOM 688 CB LEU A 107 22.390 -10.558 2.300 1.00 25.42 C +ATOM 689 CG LEU A 107 22.846 -11.433 1.151 1.00 22.75 C +ATOM 690 CD1 LEU A 107 21.897 -12.599 1.086 1.00 23.42 C +ATOM 691 CD2 LEU A 107 22.903 -10.680 -0.153 1.00 20.95 C +ATOM 692 N VAL A 108 21.459 -8.118 3.631 1.00 32.60 N +ATOM 693 CA VAL A 108 20.518 -7.502 4.535 1.00 34.59 C +ATOM 694 C VAL A 108 19.180 -7.624 3.820 1.00 34.90 C +ATOM 695 O VAL A 108 19.119 -7.559 2.589 1.00 32.74 O +ATOM 696 CB VAL A 108 20.914 -6.048 4.869 1.00 36.33 C +ATOM 697 CG1 VAL A 108 21.650 -5.412 3.709 1.00 37.75 C +ATOM 698 CG2 VAL A 108 19.690 -5.236 5.243 1.00 36.99 C +ATOM 699 N VAL A 109 18.143 -7.864 4.619 1.00 38.64 N +ATOM 700 CA VAL A 109 16.736 -8.058 4.213 1.00 40.78 C +ATOM 701 C VAL A 109 16.520 -9.550 3.941 1.00 42.51 C +ATOM 702 O VAL A 109 17.481 -10.242 3.539 1.00 42.68 O +ATOM 703 CB VAL A 109 16.277 -7.204 2.975 1.00 41.86 C +ATOM 704 CG1 VAL A 109 14.762 -7.298 2.791 1.00 41.92 C +ATOM 705 CG2 VAL A 109 16.649 -5.745 3.141 1.00 43.61 C +TER 706 VAL A 109 +ATOM 707 N GLU B 17 32.075 -34.286 -11.853 1.00 52.56 N +ATOM 708 CA GLU B 17 31.206 -33.198 -11.326 1.00 50.89 C +ATOM 709 C GLU B 17 31.909 -31.865 -11.563 1.00 44.52 C +ATOM 710 O GLU B 17 32.999 -31.632 -11.049 1.00 46.37 O +ATOM 711 CB GLU B 17 30.912 -33.429 -9.824 1.00 55.17 C +ATOM 712 CG GLU B 17 32.078 -34.013 -8.980 1.00 58.48 C +ATOM 713 CD GLU B 17 32.839 -32.976 -8.139 1.00 60.32 C +ATOM 714 OE1 GLU B 17 32.302 -32.543 -7.098 1.00 60.54 O +ATOM 715 OE2 GLU B 17 33.988 -32.618 -8.498 1.00 60.63 O +ATOM 716 N THR B 18 31.324 -31.015 -12.390 1.00 36.89 N +ATOM 717 CA THR B 18 31.948 -29.737 -12.658 1.00 32.17 C +ATOM 718 C THR B 18 31.419 -28.661 -11.707 1.00 26.92 C +ATOM 719 O THR B 18 30.376 -28.848 -11.062 1.00 25.44 O +ATOM 720 CB THR B 18 31.733 -29.316 -14.107 1.00 33.65 C +ATOM 721 OG1 THR B 18 30.372 -28.917 -14.291 1.00 33.86 O +ATOM 722 CG2 THR B 18 32.040 -30.485 -15.032 1.00 35.00 C +ATOM 723 N PHE B 19 32.143 -27.542 -11.625 1.00 22.45 N +ATOM 724 CA PHE B 19 31.769 -26.453 -10.742 1.00 17.73 C +ATOM 725 C PHE B 19 30.344 -26.019 -10.974 1.00 21.74 C +ATOM 726 O PHE B 19 29.549 -25.992 -10.043 1.00 22.84 O +ATOM 727 CB PHE B 19 32.674 -25.245 -10.916 1.00 12.04 C +ATOM 728 CG PHE B 19 32.265 -24.076 -10.062 1.00 12.01 C +ATOM 729 CD1 PHE B 19 32.438 -24.116 -8.685 1.00 12.17 C +ATOM 730 CD2 PHE B 19 31.667 -22.955 -10.628 1.00 11.53 C +ATOM 731 CE1 PHE B 19 32.021 -23.055 -7.889 1.00 13.45 C +ATOM 732 CE2 PHE B 19 31.246 -21.888 -9.839 1.00 10.96 C +ATOM 733 CZ PHE B 19 31.421 -21.935 -8.468 1.00 11.75 C +ATOM 734 N SER B 20 30.030 -25.693 -12.225 1.00 24.64 N +ATOM 735 CA SER B 20 28.703 -25.237 -12.606 1.00 26.30 C +ATOM 736 C SER B 20 27.575 -26.173 -12.205 1.00 27.49 C +ATOM 737 O SER B 20 26.509 -25.712 -11.822 1.00 28.40 O +ATOM 738 CB SER B 20 28.652 -24.947 -14.093 1.00 27.55 C +ATOM 739 OG SER B 20 28.286 -23.593 -14.268 1.00 30.01 O +ATOM 740 N ASP B 21 27.809 -27.478 -12.284 1.00 27.30 N +ATOM 741 CA ASP B 21 26.814 -28.452 -11.882 1.00 28.79 C +ATOM 742 C ASP B 21 26.639 -28.352 -10.378 1.00 29.54 C +ATOM 743 O ASP B 21 25.519 -28.300 -9.873 1.00 33.11 O +ATOM 744 CB ASP B 21 27.281 -29.875 -12.205 1.00 33.00 C +ATOM 745 CG ASP B 21 27.479 -30.112 -13.692 1.00 38.52 C +ATOM 746 OD1 ASP B 21 26.877 -29.358 -14.503 1.00 39.73 O +ATOM 747 OD2 ASP B 21 28.238 -31.057 -14.042 1.00 40.32 O +ATOM 748 N LEU B 22 27.761 -28.324 -9.665 1.00 26.27 N +ATOM 749 CA LEU B 22 27.753 -28.274 -8.217 1.00 21.85 C +ATOM 750 C LEU B 22 27.124 -27.006 -7.657 1.00 22.11 C +ATOM 751 O LEU B 22 26.320 -27.064 -6.716 1.00 24.72 O +ATOM 752 CB LEU B 22 29.180 -28.412 -7.685 1.00 18.73 C +ATOM 753 CG LEU B 22 29.872 -29.738 -7.354 1.00 15.80 C +ATOM 754 CD1 LEU B 22 29.042 -30.916 -7.782 1.00 14.53 C +ATOM 755 CD2 LEU B 22 31.236 -29.774 -8.020 1.00 14.98 C +ATOM 756 N TRP B 23 27.477 -25.871 -8.251 1.00 19.21 N +ATOM 757 CA TRP B 23 27.021 -24.553 -7.803 1.00 20.10 C +ATOM 758 C TRP B 23 25.532 -24.284 -8.011 1.00 25.27 C +ATOM 759 O TRP B 23 24.919 -23.498 -7.297 1.00 27.09 O +ATOM 760 CB TRP B 23 27.892 -23.448 -8.451 1.00 14.64 C +ATOM 761 CG TRP B 23 27.585 -22.055 -8.009 1.00 11.74 C +ATOM 762 CD1 TRP B 23 26.730 -21.178 -8.613 1.00 10.40 C +ATOM 763 CD2 TRP B 23 28.090 -21.382 -6.842 1.00 11.59 C +ATOM 764 NE1 TRP B 23 26.659 -20.002 -7.892 1.00 8.62 N +ATOM 765 CE2 TRP B 23 27.478 -20.101 -6.799 1.00 10.54 C +ATOM 766 CE3 TRP B 23 28.990 -21.731 -5.830 1.00 11.67 C +ATOM 767 CZ2 TRP B 23 27.738 -19.177 -5.784 1.00 11.03 C +ATOM 768 CZ3 TRP B 23 29.251 -20.809 -4.825 1.00 10.73 C +ATOM 769 CH2 TRP B 23 28.623 -19.548 -4.812 1.00 10.81 C +ATOM 770 N LYS B 24 24.939 -24.930 -8.991 1.00 30.12 N +ATOM 771 CA LYS B 24 23.530 -24.716 -9.231 1.00 35.48 C +ATOM 772 C LYS B 24 22.646 -25.442 -8.219 1.00 35.68 C +ATOM 773 O LYS B 24 21.451 -25.171 -8.134 1.00 39.75 O +ATOM 774 CB LYS B 24 23.180 -25.083 -10.671 1.00 41.39 C +ATOM 775 CG LYS B 24 23.805 -24.114 -11.676 1.00 46.84 C +ATOM 776 CD LYS B 24 23.803 -24.649 -13.100 1.00 50.66 C +ATOM 777 CE LYS B 24 24.657 -23.764 -13.999 1.00 52.44 C +ATOM 778 NZ LYS B 24 24.754 -24.351 -15.355 1.00 53.53 N +ATOM 779 N LEU B 25 23.240 -26.308 -7.408 1.00 31.53 N +ATOM 780 CA LEU B 25 22.485 -27.035 -6.394 1.00 28.43 C +ATOM 781 C LEU B 25 22.403 -26.295 -5.067 1.00 27.36 C +ATOM 782 O LEU B 25 22.155 -26.900 -4.030 1.00 28.91 O +ATOM 783 CB LEU B 25 23.113 -28.401 -6.153 1.00 28.84 C +ATOM 784 CG LEU B 25 23.201 -29.321 -7.366 1.00 30.87 C +ATOM 785 CD1 LEU B 25 23.891 -30.600 -6.922 1.00 30.42 C +ATOM 786 CD2 LEU B 25 21.808 -29.605 -7.945 1.00 30.75 C +ATOM 787 N LEU B 26 22.657 -24.998 -5.083 1.00 28.16 N +ATOM 788 CA LEU B 26 22.616 -24.202 -3.862 1.00 30.58 C +ATOM 789 C LEU B 26 21.235 -23.583 -3.733 1.00 32.69 C +ATOM 790 O LEU B 26 20.630 -23.223 -4.753 1.00 33.43 O +ATOM 791 CB LEU B 26 23.652 -23.069 -3.918 1.00 30.27 C +ATOM 792 CG LEU B 26 25.131 -23.345 -4.163 1.00 29.57 C +ATOM 793 CD1 LEU B 26 25.825 -22.010 -4.268 1.00 29.65 C +ATOM 794 CD2 LEU B 26 25.723 -24.177 -3.038 1.00 29.90 C +ATOM 795 N PRO B 27 20.753 -23.387 -2.477 1.00 32.15 N +ATOM 796 CA PRO B 27 19.442 -22.801 -2.172 1.00 32.91 C +ATOM 797 C PRO B 27 19.329 -21.458 -2.877 1.00 36.74 C +ATOM 798 O PRO B 27 20.105 -20.538 -2.608 1.00 37.93 O +ATOM 799 CB PRO B 27 19.491 -22.646 -0.660 1.00 31.00 C +ATOM 800 CG PRO B 27 20.369 -23.774 -0.245 1.00 28.74 C +ATOM 801 CD PRO B 27 21.480 -23.661 -1.226 1.00 29.37 C +ATOM 802 N GLU B 28 18.368 -21.373 -3.794 1.00 39.68 N +ATOM 803 CA GLU B 28 18.139 -20.187 -4.619 1.00 41.42 C +ATOM 804 C GLU B 28 17.306 -19.049 -4.048 1.00 41.07 C +ATOM 805 O GLU B 28 17.039 -18.062 -4.733 1.00 44.94 O +ATOM 806 CB GLU B 28 17.603 -20.610 -5.988 1.00 43.50 C +ATOM 807 CG GLU B 28 16.553 -21.693 -5.923 1.00 46.41 C +ATOM 808 CD GLU B 28 16.395 -22.434 -7.228 1.00 50.74 C +ATOM 809 OE1 GLU B 28 17.341 -22.426 -8.054 1.00 50.52 O +ATOM 810 OE2 GLU B 28 15.315 -23.043 -7.418 1.00 54.75 O +ATOM 811 N ASN B 29 16.925 -19.172 -2.791 1.00 37.74 N +ATOM 812 CA ASN B 29 16.147 -18.147 -2.112 1.00 37.72 C +ATOM 813 C ASN B 29 16.548 -18.261 -0.669 1.00 30.80 C +ATOM 814 O ASN B 29 17.159 -19.284 -0.370 1.00 28.87 O +ATOM 815 CB ASN B 29 14.634 -18.393 -2.256 1.00 44.98 C +ATOM 816 CG ASN B 29 14.044 -17.784 -3.540 1.00 49.82 C +ATOM 817 OD1 ASN B 29 14.536 -16.773 -4.071 1.00 50.99 O +ATOM 818 ND2 ASN B 29 12.963 -18.387 -4.023 1.00 51.64 N +ATOM 819 OXT ASN B 29 16.296 -17.351 0.139 1.00 30.36 O +TER 820 ASN B 29 +MASTER 273 0 0 5 2 0 0 6 818 2 0 11 +END diff --git a/data/targets/mdm2_1ycr_pocket_excerpt.pdb b/data/targets/mdm2_1ycr_pocket_excerpt.pdb new file mode 100644 index 0000000000000000000000000000000000000000..1d83614a19ce4c516a05ac0b43a508ce229c14dd --- /dev/null +++ b/data/targets/mdm2_1ycr_pocket_excerpt.pdb @@ -0,0 +1,61 @@ +ATOM 198 N MET A 50 17.724 -13.577 -4.359 1.00 26.64 N +ATOM 199 CA MET A 50 18.794 -14.502 -3.998 1.00 28.05 C +ATOM 200 C MET A 50 19.413 -15.149 -5.246 1.00 28.41 C +ATOM 201 O MET A 50 20.624 -15.353 -5.303 1.00 31.46 O +ATOM 202 CB MET A 50 18.290 -15.585 -3.043 1.00 29.52 C +ATOM 203 CG MET A 50 18.786 -15.430 -1.616 1.00 31.67 C +ATOM 204 SD MET A 50 20.561 -15.673 -1.478 1.00 33.21 S +ATOM 205 CE MET A 50 20.698 -17.337 -2.115 1.00 33.22 C +ATOM 231 N LEU A 54 23.569 -15.414 -6.415 1.00 20.11 N +ATOM 232 CA LEU A 54 24.244 -16.672 -6.687 1.00 17.78 C +ATOM 233 C LEU A 54 24.751 -16.780 -8.105 1.00 18.36 C +ATOM 234 O LEU A 54 25.816 -17.334 -8.323 1.00 23.49 O +ATOM 235 CB LEU A 54 23.318 -17.850 -6.420 1.00 16.46 C +ATOM 236 CG LEU A 54 22.858 -18.137 -4.996 1.00 14.65 C +ATOM 237 CD1 LEU A 54 21.786 -19.217 -5.048 1.00 15.10 C +ATOM 238 CD2 LEU A 54 24.023 -18.574 -4.154 1.00 11.49 C +ATOM 270 N GLY A 58 28.606 -16.903 -8.877 1.00 13.03 N +ATOM 271 CA GLY A 58 29.093 -18.105 -9.525 1.00 12.30 C +ATOM 272 C GLY A 58 29.881 -17.738 -10.769 1.00 15.61 C +ATOM 273 O GLY A 58 30.833 -18.418 -11.126 1.00 19.99 O +ATOM 295 N ILE A 61 33.478 -16.702 -9.727 1.00 15.26 N +ATOM 296 CA ILE A 61 34.274 -17.877 -9.450 1.00 13.48 C +ATOM 297 C ILE A 61 34.684 -18.570 -10.724 1.00 16.31 C +ATOM 298 O ILE A 61 35.862 -18.831 -10.943 1.00 18.13 O +ATOM 299 CB ILE A 61 33.497 -18.858 -8.544 1.00 12.76 C +ATOM 300 CG1 ILE A 61 33.109 -18.151 -7.243 1.00 11.76 C +ATOM 301 CG2 ILE A 61 34.337 -20.069 -8.235 1.00 13.49 C +ATOM 302 CD1 ILE A 61 32.359 -19.041 -6.269 1.00 13.72 C +ATOM 346 N TYR A 67 38.179 -22.331 -8.806 1.00 8.57 N +ATOM 347 CA TYR A 67 37.861 -23.681 -8.338 1.00 12.51 C +ATOM 348 C TYR A 67 39.016 -24.624 -8.635 1.00 16.43 C +ATOM 349 O TYR A 67 39.865 -24.328 -9.477 1.00 19.05 O +ATOM 350 CB TYR A 67 36.567 -24.197 -8.995 1.00 11.42 C +ATOM 351 CG TYR A 67 36.529 -23.987 -10.501 1.00 15.91 C +ATOM 352 CD1 TYR A 67 37.095 -24.922 -11.377 1.00 18.44 C +ATOM 353 CD2 TYR A 67 35.967 -22.837 -11.052 1.00 17.76 C +ATOM 354 CE1 TYR A 67 37.102 -24.717 -12.744 1.00 17.83 C +ATOM 355 CE2 TYR A 67 35.975 -22.623 -12.422 1.00 19.57 C +ATOM 356 CZ TYR A 67 36.544 -23.567 -13.259 1.00 20.81 C +ATOM 357 OH TYR A 67 36.557 -23.357 -14.625 1.00 26.44 O +ATOM 555 N VAL A 93 31.773 -26.173 -2.288 1.00 17.37 N +ATOM 556 CA VAL A 93 30.426 -25.784 -2.700 1.00 18.30 C +ATOM 557 C VAL A 93 29.429 -26.853 -2.295 1.00 20.89 C +ATOM 558 O VAL A 93 28.225 -26.606 -2.273 1.00 25.39 O +ATOM 559 CB VAL A 93 30.275 -25.513 -4.223 1.00 15.03 C +ATOM 560 CG1 VAL A 93 31.333 -24.544 -4.718 1.00 16.89 C +ATOM 561 CG2 VAL A 93 30.274 -26.792 -4.990 1.00 12.62 C +ATOM 618 N TYR A 100 25.598 -21.070 2.126 1.00 19.20 N +ATOM 619 CA TYR A 100 24.403 -20.267 2.326 1.00 18.81 C +ATOM 620 C TYR A 100 24.547 -19.345 3.510 1.00 16.22 C +ATOM 621 O TYR A 100 24.117 -18.185 3.454 1.00 19.82 O +ATOM 622 CB TYR A 100 23.190 -21.153 2.496 1.00 24.97 C +ATOM 623 CG TYR A 100 21.898 -20.417 2.284 1.00 30.83 C +ATOM 624 CD1 TYR A 100 21.482 -20.044 1.004 1.00 31.83 C +ATOM 625 CD2 TYR A 100 21.095 -20.079 3.366 1.00 35.02 C +ATOM 626 CE1 TYR A 100 20.306 -19.348 0.814 1.00 34.30 C +ATOM 627 CE2 TYR A 100 19.917 -19.384 3.192 1.00 37.14 C +ATOM 628 CZ TYR A 100 19.526 -19.019 1.921 1.00 38.42 C +ATOM 629 OH TYR A 100 18.367 -18.281 1.803 1.00 42.34 O +TER +END diff --git a/data/targets/multifidelity_benchmark_C/mdm2_4hg7.pdb b/data/targets/multifidelity_benchmark_C/mdm2_4hg7.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f48dbd46fd17a856f7d5cdd32b471ebd413f7567 --- /dev/null +++ b/data/targets/multifidelity_benchmark_C/mdm2_4hg7.pdb @@ -0,0 +1,2303 @@ +HEADER LIGASE 07-OCT-12 4HG7 +TITLE CRYSTAL STRUCTURE OF AN MDM2/NUTLIN-3A COMPLEX +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: E3 UBIQUITIN-PROTEIN LIGASE MDM2; +COMPND 3 CHAIN: A; +COMPND 4 FRAGMENT: P53 BINDING DOMAIN (RESIDUES 17-125); +COMPND 5 SYNONYM: DOUBLE MINUTE 2 PROTEIN, HDM2, ONCOPROTEIN MDM2, P53-BINDING +COMPND 6 PROTEIN MDM2; +COMPND 7 EC: 6.3.2.-; +COMPND 8 ENGINEERED: YES; +COMPND 9 MUTATION: YES +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; +SOURCE 3 ORGANISM_COMMON: HUMAN; +SOURCE 4 ORGANISM_TAXID: 9606; +SOURCE 5 GENE: MDM2; +SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; +SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; +SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3); +SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; +SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PGEX6P1 +KEYWDS MDM2, NUTLIN-3A, SURFACE ENTROPY REDUCTION, MUTANT VALIDATION, LIGASE +EXPDTA X-RAY DIFFRACTION +AUTHOR M.E.M.NOBLE,B.ANIL,C.RIEDINGER,J.A.ENDICOTT +REVDAT 3 28-FEB-24 4HG7 1 REMARK SEQADV +REVDAT 2 21-AUG-13 4HG7 1 JRNL +REVDAT 1 31-JUL-13 4HG7 0 +JRNL AUTH B.ANIL,C.RIEDINGER,J.A.ENDICOTT,M.E.NOBLE +JRNL TITL THE STRUCTURE OF AN MDM2-NUTLIN-3A COMPLEX SOLVED BY THE USE +JRNL TITL 2 OF A VALIDATED MDM2 SURFACE-ENTROPY REDUCTION MUTANT. +JRNL REF ACTA CRYSTALLOGR.,SECT.D V. 69 1358 2013 +JRNL REFN ISSN 0907-4449 +JRNL PMID 23897459 +JRNL DOI 10.1107/S0907444913004459 +REMARK 2 +REMARK 2 RESOLUTION. 1.60 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : REFMAC 5.6.0117 +REMARK 3 AUTHORS : MURSHUDOV,SKUBAK,LEBEDEV,PANNU,STEINER, +REMARK 3 : NICHOLLS,WINN,LONG,VAGIN +REMARK 3 +REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.60 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 30.94 +REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.200 +REMARK 3 COMPLETENESS FOR RANGE (%) : 98.8 +REMARK 3 NUMBER OF REFLECTIONS : 20070 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT +REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM +REMARK 3 R VALUE (WORKING + TEST SET) : 0.176 +REMARK 3 R VALUE (WORKING SET) : 0.173 +REMARK 3 FREE R VALUE : 0.215 +REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 +REMARK 3 FREE R VALUE TEST SET COUNT : 1065 +REMARK 3 +REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. +REMARK 3 TOTAL NUMBER OF BINS USED : 20 +REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.60 +REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.64 +REMARK 3 REFLECTION IN BIN (WORKING SET) : 1299 +REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 98.84 +REMARK 3 BIN R VALUE (WORKING SET) : 0.2360 +REMARK 3 BIN FREE R VALUE SET COUNT : 61 +REMARK 3 BIN FREE R VALUE : 0.3060 +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 744 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 45 +REMARK 3 SOLVENT ATOMS : 97 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : NULL +REMARK 3 MEAN B VALUE (OVERALL, A**2) : 21.61 +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : -0.55000 +REMARK 3 B22 (A**2) : -0.55000 +REMARK 3 B33 (A**2) : 0.83000 +REMARK 3 B12 (A**2) : -0.28000 +REMARK 3 B13 (A**2) : 0.00000 +REMARK 3 B23 (A**2) : 0.00000 +REMARK 3 +REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. +REMARK 3 ESU BASED ON R VALUE (A): 0.081 +REMARK 3 ESU BASED ON FREE R VALUE (A): 0.076 +REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.043 +REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 2.668 +REMARK 3 +REMARK 3 CORRELATION COEFFICIENTS. +REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.955 +REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.934 +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT +REMARK 3 BOND LENGTHS REFINED ATOMS (A): 862 ; 0.014 ; 0.020 +REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL +REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 1181 ; 1.596 ; 2.063 +REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL +REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 108 ; 5.039 ; 5.000 +REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 35 ;41.647 ;24.286 +REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 165 ;12.277 ;15.000 +REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 4 ;16.794 ;15.000 +REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 132 ; 0.085 ; 0.200 +REMARK 3 GENERAL PLANES REFINED ATOMS (A): 646 ; 0.011 ; 0.021 +REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL +REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL +REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL +REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL +REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY VDW REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL +REMARK 3 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT +REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 LONG RANGE B REFINED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 LONG RANGE B OTHER ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 +REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT +REMARK 3 RIGID-BOND RESTRAINTS (A**2): 861 ; 4.481 ; 3.000 +REMARK 3 SPHERICITY; FREE ATOMS (A**2): 47 ;28.475 ; 5.000 +REMARK 3 SPHERICITY; BONDED ATOMS (A**2): 894 ;13.951 ; 5.000 +REMARK 3 +REMARK 3 NCS RESTRAINTS STATISTICS +REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL +REMARK 3 +REMARK 3 TLS DETAILS +REMARK 3 NUMBER OF TLS GROUPS : NULL +REMARK 3 +REMARK 3 BULK SOLVENT MODELLING. +REMARK 3 METHOD USED : MASK +REMARK 3 PARAMETERS FOR MASK CALCULATION +REMARK 3 VDW PROBE RADIUS : 1.20 +REMARK 3 ION PROBE RADIUS : 0.80 +REMARK 3 SHRINKAGE RADIUS : 0.80 +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN USED IF PRESENT IN +REMARK 3 THE INPUT +REMARK 4 +REMARK 4 4HG7 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 12-OCT-12. +REMARK 100 THE DEPOSITION ID IS D_1000075426. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : 26-NOV-10 +REMARK 200 TEMPERATURE (KELVIN) : 298 +REMARK 200 PH : 5.6 +REMARK 200 NUMBER OF CRYSTALS USED : 1 +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : Y +REMARK 200 RADIATION SOURCE : ESRF +REMARK 200 BEAMLINE : ID23-2 +REMARK 200 X-RAY GENERATOR MODEL : NULL +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 0.8726 +REMARK 200 MONOCHROMATOR : SI 111 CHANNEL +REMARK 200 OPTICS : NULL +REMARK 200 +REMARK 200 DETECTOR TYPE : CCD +REMARK 200 DETECTOR MANUFACTURER : MARMOSAIC 225 MM CCD +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS +REMARK 200 DATA SCALING SOFTWARE : XDS, SCALA +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 21274 +REMARK 200 RESOLUTION RANGE HIGH (A) : 1.600 +REMARK 200 RESOLUTION RANGE LOW (A) : 33.790 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 2.000 +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 99.5 +REMARK 200 DATA REDUNDANCY : NULL +REMARK 200 R MERGE (I) : NULL +REMARK 200 R SYM (I) : NULL +REMARK 200 FOR THE DATA SET : NULL +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.60 +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.69 +REMARK 200 COMPLETENESS FOR SHELL (%) : 99.5 +REMARK 200 DATA REDUNDANCY IN SHELL : NULL +REMARK 200 R MERGE FOR SHELL (I) : NULL +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 FOR SHELL : NULL +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT +REMARK 200 SOFTWARE USED: PHASER +REMARK 200 STARTING MODEL: NULL +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 64.50 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.46 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: 0.5 M AMMONIUM SULFATE, 0.1 M SODIUM +REMARK 280 CITRATE, 1.0 M LITHIUM SULFATE, PH 5.6, VAPOR DIFFUSION, SITTING +REMARK 280 DROP, TEMPERATURE 277K +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 65 2 2 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -Y,X-Y,Z+2/3 +REMARK 290 3555 -X+Y,-X,Z+1/3 +REMARK 290 4555 -X,-Y,Z+1/2 +REMARK 290 5555 Y,-X+Y,Z+1/6 +REMARK 290 6555 X-Y,X,Z+5/6 +REMARK 290 7555 Y,X,-Z+2/3 +REMARK 290 8555 X-Y,-Y,-Z +REMARK 290 9555 -X,-X+Y,-Z+1/3 +REMARK 290 10555 -Y,-X,-Z+1/6 +REMARK 290 11555 -X+Y,Y,-Z+1/2 +REMARK 290 12555 X,X-Y,-Z+5/6 +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 69.46933 +REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 34.73467 +REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 52.10200 +REMARK 290 SMTRY1 5 0.500000 0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 5 -0.866025 0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 17.36733 +REMARK 290 SMTRY1 6 0.500000 -0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 6 0.866025 0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 86.83667 +REMARK 290 SMTRY1 7 -0.500000 0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 7 0.866025 0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 69.46933 +REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 SMTRY1 9 -0.500000 -0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 9 -0.866025 0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 9 0.000000 0.000000 -1.000000 34.73467 +REMARK 290 SMTRY1 10 0.500000 -0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 10 -0.866025 -0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 10 0.000000 0.000000 -1.000000 17.36733 +REMARK 290 SMTRY1 11 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 11 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 11 0.000000 0.000000 -1.000000 52.10200 +REMARK 290 SMTRY1 12 0.500000 0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 12 0.866025 -0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 12 0.000000 0.000000 -1.000000 86.83667 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1, 2 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 +REMARK 350 BIOMOLECULE: 2 +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 1170 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 10140 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -9.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 BIOMT1 2 0.500000 0.866025 0.000000 -35.72500 +REMARK 350 BIOMT2 2 0.866025 -0.500000 0.000000 61.87752 +REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 -17.36733 +REMARK 465 +REMARK 465 MISSING RESIDUES +REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE +REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) +REMARK 465 +REMARK 465 M RES C SSSEQI +REMARK 465 GLY A 12 +REMARK 465 PRO A 13 +REMARK 465 LEU A 14 +REMARK 465 GLY A 15 +REMARK 465 SER A 16 +REMARK 465 SER A 17 +REMARK 800 +REMARK 800 SITE +REMARK 800 SITE_IDENTIFIER: AC1 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NUT A 201 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC2 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 202 +REMARK 900 +REMARK 900 RELATED ENTRIES +REMARK 900 RELATED ID: 4HFZ RELATED DB: PDB +REMARK 900 STRUCTURE SOLVED USING THE SAME SURFACE MUTATIONS OF THE SAME +REMARK 900 CONSTRUCT +DBREF 4HG7 A 17 108 UNP Q00987 MDM2_HUMAN 17 108 +SEQADV 4HG7 GLY A 12 UNP Q00987 EXPRESSION TAG +SEQADV 4HG7 PRO A 13 UNP Q00987 EXPRESSION TAG +SEQADV 4HG7 LEU A 14 UNP Q00987 EXPRESSION TAG +SEQADV 4HG7 GLY A 15 UNP Q00987 EXPRESSION TAG +SEQADV 4HG7 SER A 16 UNP Q00987 EXPRESSION TAG +SEQADV 4HG7 ALA A 69 UNP Q00987 GLU 69 ENGINEERED MUTATION +SEQADV 4HG7 ALA A 70 UNP Q00987 LYS 70 ENGINEERED MUTATION +SEQRES 1 A 97 GLY PRO LEU GLY SER SER GLN ILE PRO ALA SER GLU GLN +SEQRES 2 A 97 GLU THR LEU VAL ARG PRO LYS PRO LEU LEU LEU LYS LEU +SEQRES 3 A 97 LEU LYS SER VAL GLY ALA GLN LYS ASP THR TYR THR MET +SEQRES 4 A 97 LYS GLU VAL LEU PHE TYR LEU GLY GLN TYR ILE MET THR +SEQRES 5 A 97 LYS ARG LEU TYR ASP ALA ALA GLN GLN HIS ILE VAL TYR +SEQRES 6 A 97 CYS SER ASN ASP LEU LEU GLY ASP LEU PHE GLY VAL PRO +SEQRES 7 A 97 SER PHE SER VAL LYS GLU HIS ARG LYS ILE TYR THR MET +SEQRES 8 A 97 ILE TYR ARG ASN LEU VAL +HET NUT A 201 40 +HET SO4 A 202 5 +HETNAM NUT 4-({(4S,5R)-4,5-BIS(4-CHLOROPHENYL)-2-[4-METHOXY-2- +HETNAM 2 NUT (PROPAN-2-YLOXY)PHENYL]-4,5-DIHYDRO-1H-IMIDAZOL-1- +HETNAM 3 NUT YL}CARBONYL)PIPERAZIN-2-ONE +HETNAM SO4 SULFATE ION +HETSYN NUT NUTLIN 3A +FORMUL 2 NUT C30 H30 CL2 N4 O4 +FORMUL 3 SO4 O4 S 2- +FORMUL 4 HOH *97(H2 O) +HELIX 1 1 PRO A 20 GLU A 25 1 6 +HELIX 2 2 LYS A 31 VAL A 41 1 11 +HELIX 3 3 MET A 50 LYS A 64 1 15 +HELIX 4 4 ASP A 80 GLY A 87 1 8 +HELIX 5 5 GLU A 95 ARG A 105 1 11 +SHEET 1 A 2 LEU A 27 VAL A 28 0 +SHEET 2 A 2 TYR A 48 THR A 49 -1 O TYR A 48 N VAL A 28 +SHEET 1 B 2 ILE A 74 TYR A 76 0 +SHEET 2 B 2 SER A 90 SER A 92 -1 O PHE A 91 N VAL A 75 +SITE 1 AC1 14 PRO A 32 LEU A 54 LEU A 57 GLY A 58 +SITE 2 AC1 14 ILE A 61 MET A 62 GLN A 72 HIS A 73 +SITE 3 AC1 14 VAL A 93 HIS A 96 SO4 A 202 HOH A 307 +SITE 4 AC1 14 HOH A 327 HOH A 338 +SITE 1 AC2 9 LYS A 31 GLN A 71 GLN A 72 HIS A 73 +SITE 2 AC2 9 NUT A 201 HOH A 320 HOH A 324 HOH A 331 +SITE 3 AC2 9 HOH A 347 +CRYST1 71.450 71.450 104.204 90.00 90.00 120.00 P 65 2 2 12 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.013996 0.008080 0.000000 0.00000 +SCALE2 0.000000 0.016161 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.009597 0.00000 +ATOM 1 N GLN A 18 -33.251 16.116 -16.144 1.00 26.63 N +ANISOU 1 N GLN A 18 4640 2822 2656 -316 -1400 183 N +ATOM 2 CA GLN A 18 -33.744 16.395 -14.779 1.00 22.76 C +ANISOU 2 CA GLN A 18 3338 2405 2903 -275 -1288 305 C +ATOM 3 C GLN A 18 -33.202 17.722 -14.291 1.00 22.08 C +ANISOU 3 C GLN A 18 2621 2319 3449 -200 -497 -1 C +ATOM 4 O GLN A 18 -33.766 18.329 -13.368 1.00 24.13 O +ANISOU 4 O GLN A 18 2690 2483 3994 -237 -356 -205 O +ATOM 5 CB GLN A 18 -33.223 15.314 -13.819 1.00 21.88 C +ANISOU 5 CB GLN A 18 3432 1792 3088 -340 -1412 170 C +ATOM 6 CG GLN A 18 -33.750 13.922 -14.126 1.00 22.46 C +ANISOU 6 CG GLN A 18 3459 2103 2971 -580 -1541 -52 C +ATOM 7 CD GLN A 18 -33.207 12.844 -13.217 1.00 25.20 C +ANISOU 7 CD GLN A 18 3273 3187 3115 454 -1263 -53 C +ATOM 8 OE1 GLN A 18 -32.919 11.702 -13.662 1.00 29.66 O +ANISOU 8 OE1 GLN A 18 3349 3370 4550 232 -747 -698 O +ATOM 9 NE2 GLN A 18 -33.110 13.159 -11.948 1.00 17.15 N +ANISOU 9 NE2 GLN A 18 1933 1583 2999 -115 -781 -35 N +ATOM 10 N ILE A 19 -32.048 18.114 -14.839 1.00 17.77 N +ANISOU 10 N ILE A 19 2530 1935 2285 -338 -734 207 N +ATOM 11 CA ILE A 19 -31.388 19.371 -14.398 1.00 15.09 C +ANISOU 11 CA ILE A 19 2131 1737 1863 74 -659 62 C +ATOM 12 C ILE A 19 -31.360 20.363 -15.568 1.00 15.53 C +ANISOU 12 C ILE A 19 2361 1674 1864 182 -752 47 C +ATOM 13 O ILE A 19 -30.874 20.015 -16.645 1.00 17.20 O +ANISOU 13 O ILE A 19 2406 2015 2113 362 -660 -123 O +ATOM 14 CB ILE A 19 -29.940 19.163 -13.897 1.00 14.39 C +ANISOU 14 CB ILE A 19 2047 1801 1618 329 -410 228 C +ATOM 15 CG1 ILE A 19 -29.853 18.064 -12.782 1.00 12.77 C +ANISOU 15 CG1 ILE A 19 1935 1683 1231 127 -401 18 C +ATOM 16 CG2 ILE A 19 -29.332 20.499 -13.400 1.00 16.71 C +ANISOU 16 CG2 ILE A 19 1954 2286 2110 227 -202 -216 C +ATOM 17 CD1 ILE A 19 -30.565 18.411 -11.459 1.00 14.95 C +ANISOU 17 CD1 ILE A 19 2162 1975 1541 37 -134 -328 C +ATOM 18 N PRO A 20 -31.850 21.618 -15.350 1.00 15.79 N +ANISOU 18 N PRO A 20 2330 1730 1938 260 -608 14 N +ATOM 19 CA PRO A 20 -31.833 22.555 -16.472 1.00 16.93 C +ANISOU 19 CA PRO A 20 2676 1398 2358 320 -866 -67 C +ATOM 20 C PRO A 20 -30.406 22.832 -17.002 1.00 16.79 C +ANISOU 20 C PRO A 20 2548 1866 1964 138 -1057 145 C +ATOM 21 O PRO A 20 -29.440 22.933 -16.233 1.00 14.85 O +ANISOU 21 O PRO A 20 2305 1747 1591 299 -940 112 O +ATOM 22 CB PRO A 20 -32.480 23.840 -15.887 1.00 18.84 C +ANISOU 22 CB PRO A 20 2717 1295 3145 420 -428 91 C +ATOM 23 CG PRO A 20 -33.228 23.392 -14.660 1.00 21.77 C +ANISOU 23 CG PRO A 20 3463 2238 2569 951 -776 325 C +ATOM 24 CD PRO A 20 -32.571 22.141 -14.171 1.00 17.00 C +ANISOU 24 CD PRO A 20 2395 1895 2169 578 -544 157 C +ATOM 25 N ALA A 21 -30.285 22.997 -18.307 1.00 18.79 N +ANISOU 25 N ALA A 21 2905 2213 2022 250 -396 -137 N +ATOM 26 CA ALA A 21 -28.996 23.235 -18.942 1.00 18.45 C +ANISOU 26 CA ALA A 21 2932 2470 1605 -75 -384 67 C +ATOM 27 C ALA A 21 -28.269 24.431 -18.361 1.00 16.30 C +ANISOU 27 C ALA A 21 2630 1811 1750 274 -555 348 C +ATOM 28 O ALA A 21 -27.044 24.367 -18.157 1.00 17.22 O +ANISOU 28 O ALA A 21 2657 2174 1712 398 -620 64 O +ATOM 29 CB ALA A 21 -29.182 23.417 -20.449 1.00 21.78 C +ANISOU 29 CB ALA A 21 3815 2638 1820 308 -1291 -25 C +ATOM 30 N SER A 22 -28.998 25.516 -18.059 1.00 15.80 N +ANISOU 30 N SER A 22 2616 1886 1500 210 -835 148 N +ATOM 31 CA ASER A 22 -28.345 26.723 -17.527 0.80 15.69 C +ANISOU 31 CA ASER A 22 2635 1811 1516 415 -676 -30 C +ATOM 32 CA BSER A 22 -28.340 26.708 -17.516 0.20 15.19 C +ANISOU 32 CA BSER A 22 2460 1748 1563 299 -655 159 C +ATOM 33 C SER A 22 -27.637 26.438 -16.184 1.00 14.66 C +ANISOU 33 C SER A 22 2235 1760 1573 186 -587 265 C +ATOM 34 O SER A 22 -26.570 26.985 -15.905 1.00 15.22 O +ANISOU 34 O SER A 22 2118 1875 1790 210 -331 80 O +ATOM 35 CB ASER A 22 -29.349 27.885 -17.393 0.80 18.00 C +ANISOU 35 CB ASER A 22 2303 2321 2215 657 -523 449 C +ATOM 36 CB BSER A 22 -29.339 27.848 -17.370 0.20 15.24 C +ANISOU 36 CB BSER A 22 2316 1870 1603 397 -782 534 C +ATOM 37 OG ASER A 22 -30.358 27.609 -16.431 0.80 19.75 O +ANISOU 37 OG ASER A 22 2193 2306 3005 85 -402 427 O +ATOM 38 OG BSER A 22 -29.824 28.215 -18.642 0.20 15.16 O +ANISOU 38 OG BSER A 22 2227 1701 1831 446 -923 671 O +ATOM 39 N GLU A 23 -28.238 25.588 -15.365 1.00 13.27 N +ANISOU 39 N GLU A 23 2096 1531 1415 257 -548 46 N +ATOM 40 CA GLU A 23 -27.706 25.250 -14.063 1.00 11.57 C +ANISOU 40 CA GLU A 23 1771 1462 1163 353 -149 43 C +ATOM 41 C GLU A 23 -26.448 24.374 -14.226 1.00 12.43 C +ANISOU 41 C GLU A 23 1836 1591 1293 464 -281 -52 C +ATOM 42 O GLU A 23 -25.468 24.556 -13.499 1.00 14.56 O +ANISOU 42 O GLU A 23 1996 1841 1695 306 -436 240 O +ATOM 43 CB GLU A 23 -28.777 24.514 -13.238 1.00 12.59 C +ANISOU 43 CB GLU A 23 1860 1612 1309 214 -341 235 C +ATOM 44 CG GLU A 23 -28.287 24.177 -11.848 1.00 12.34 C +ANISOU 44 CG GLU A 23 1650 1493 1543 353 -578 286 C +ATOM 45 CD GLU A 23 -29.328 23.506 -10.983 1.00 13.98 C +ANISOU 45 CD GLU A 23 1851 1683 1775 365 -351 197 C +ATOM 46 OE1 GLU A 23 -30.501 23.358 -11.410 1.00 13.47 O +ANISOU 46 OE1 GLU A 23 1999 1782 1336 288 -445 222 O +ATOM 47 OE2 GLU A 23 -28.941 23.116 -9.853 1.00 13.93 O +ANISOU 47 OE2 GLU A 23 2487 1486 1320 427 -150 -209 O +ATOM 48 N GLN A 24 -26.479 23.471 -15.221 1.00 12.50 N +ANISOU 48 N GLN A 24 1584 1550 1615 226 -493 -215 N +ATOM 49 CA GLN A 24 -25.328 22.600 -15.501 1.00 13.66 C +ANISOU 49 CA GLN A 24 1791 1652 1745 283 -194 -182 C +ATOM 50 C GLN A 24 -24.129 23.416 -15.972 1.00 14.42 C +ANISOU 50 C GLN A 24 2127 1758 1593 247 -210 325 C +ATOM 51 O GLN A 24 -22.978 23.016 -15.766 1.00 15.26 O +ANISOU 51 O GLN A 24 2034 2152 1609 90 -218 204 O +ATOM 52 CB GLN A 24 -25.670 21.566 -16.587 1.00 14.10 C +ANISOU 52 CB GLN A 24 1895 1713 1747 132 25 -311 C +ATOM 53 CG GLN A 24 -26.841 20.662 -16.210 1.00 14.46 C +ANISOU 53 CG GLN A 24 2188 1596 1710 -162 -226 -61 C +ATOM 54 CD GLN A 24 -27.020 19.503 -17.177 1.00 18.58 C +ANISOU 54 CD GLN A 24 2896 2075 2085 -166 -348 -473 C +ATOM 55 OE1 GLN A 24 -26.041 18.835 -17.539 1.00 22.28 O +ANISOU 55 OE1 GLN A 24 3360 2345 2757 335 -464 -571 O +ATOM 56 NE2 GLN A 24 -28.266 19.248 -17.603 1.00 19.87 N +ANISOU 56 NE2 GLN A 24 3143 2237 2169 121 -820 -43 N +ATOM 57 N GLU A 25 -24.411 24.544 -16.624 1.00 14.67 N +ANISOU 57 N GLU A 25 2350 1814 1406 126 -397 307 N +ATOM 58 CA AGLU A 25 -23.328 25.316 -17.231 0.50 15.24 C +ANISOU 58 CA AGLU A 25 2618 1938 1233 143 -283 578 C +ATOM 59 CA BGLU A 25 -23.390 25.367 -17.271 0.50 15.29 C +ANISOU 59 CA BGLU A 25 2542 1946 1320 149 -363 555 C +ATOM 60 C GLU A 25 -22.832 26.463 -16.361 1.00 14.84 C +ANISOU 60 C GLU A 25 2312 1986 1338 370 -461 433 C +ATOM 61 O GLU A 25 -22.020 27.266 -16.793 1.00 21.60 O +ANISOU 61 O GLU A 25 3235 2514 2457 -118 -166 453 O +ATOM 62 CB AGLU A 25 -23.710 25.812 -18.634 0.50 16.61 C +ANISOU 62 CB AGLU A 25 2822 2281 1206 470 -336 474 C +ATOM 63 CB BGLU A 25 -23.934 25.982 -18.586 0.50 17.56 C +ANISOU 63 CB BGLU A 25 2931 2446 1291 58 -572 535 C +ATOM 64 CG AGLU A 25 -23.992 24.696 -19.628 0.50 22.33 C +ANISOU 64 CG AGLU A 25 3403 2803 2278 208 -378 -214 C +ATOM 65 CG BGLU A 25 -24.340 24.954 -19.636 0.50 21.22 C +ANISOU 65 CG BGLU A 25 3052 3438 1572 220 -1391 130 C +ATOM 66 CD AGLU A 25 -22.764 23.851 -19.922 0.50 21.72 C +ANISOU 66 CD AGLU A 25 3929 3237 1087 746 -361 -13 C +ATOM 67 CD BGLU A 25 -25.021 25.525 -20.879 0.50 26.01 C +ANISOU 67 CD BGLU A 25 3651 3640 2591 1145 -1344 203 C +ATOM 68 OE1AGLU A 25 -22.915 22.672 -20.297 0.50 30.23 O +ANISOU 68 OE1AGLU A 25 5597 3249 2639 543 -127 -348 O +ATOM 69 OE1BGLU A 25 -25.758 26.538 -20.824 0.50 27.52 O +ANISOU 69 OE1BGLU A 25 3838 3314 3304 1529 -879 1017 O +ATOM 70 OE2AGLU A 25 -21.642 24.363 -19.781 0.50 25.51 O +ANISOU 70 OE2AGLU A 25 3740 3979 1971 983 -71 -74 O +ATOM 71 OE2BGLU A 25 -24.842 24.920 -21.950 0.50 39.48 O +ANISOU 71 OE2BGLU A 25 5766 5705 3530 283 55 -1047 O +ATOM 72 N THR A 26 -23.281 26.509 -15.104 1.00 14.27 N +ANISOU 72 N THR A 26 2117 1823 1480 364 -543 171 N +ATOM 73 CA THR A 26 -22.842 27.558 -14.172 1.00 15.62 C +ANISOU 73 CA THR A 26 2160 1926 1849 165 -569 51 C +ATOM 74 C THR A 26 -21.462 27.224 -13.603 1.00 15.85 C +ANISOU 74 C THR A 26 2243 2018 1759 139 -516 219 C +ATOM 75 O THR A 26 -21.225 26.077 -13.205 1.00 15.10 O +ANISOU 75 O THR A 26 2039 1641 2057 -38 -339 96 O +ATOM 76 CB THR A 26 -23.883 27.687 -13.037 1.00 16.30 C +ANISOU 76 CB THR A 26 2216 2042 1934 271 -461 -87 C +ATOM 77 OG1 THR A 26 -25.091 28.192 -13.629 1.00 21.42 O +ANISOU 77 OG1 THR A 26 2551 2646 2940 360 -1031 -377 O +ATOM 78 CG2 THR A 26 -23.447 28.670 -11.975 1.00 17.75 C +ANISOU 78 CG2 THR A 26 2486 2193 2063 -226 -285 66 C +ATOM 79 N LEU A 27 -20.570 28.218 -13.588 1.00 15.17 N +ANISOU 79 N LEU A 27 1898 2232 1631 55 -479 130 N +ATOM 80 CA LEU A 27 -19.212 28.063 -13.030 1.00 14.25 C +ANISOU 80 CA LEU A 27 1936 1711 1766 -65 -482 578 C +ATOM 81 C LEU A 27 -19.252 28.024 -11.506 1.00 15.15 C +ANISOU 81 C LEU A 27 2201 1738 1815 125 -550 272 C +ATOM 82 O LEU A 27 -19.839 28.918 -10.873 1.00 15.64 O +ANISOU 82 O LEU A 27 2210 2017 1713 235 -442 373 O +ATOM 83 CB LEU A 27 -18.283 29.193 -13.512 1.00 16.16 C +ANISOU 83 CB LEU A 27 2037 1993 2108 -167 -296 672 C +ATOM 84 CG LEU A 27 -16.777 28.995 -13.263 1.00 19.41 C +ANISOU 84 CG LEU A 27 2214 2139 3022 -159 -394 315 C +ATOM 85 CD1 LEU A 27 -16.222 27.959 -14.241 1.00 21.37 C +ANISOU 85 CD1 LEU A 27 2366 2303 3450 634 -154 453 C +ATOM 86 CD2 LEU A 27 -16.050 30.325 -13.415 1.00 23.69 C +ANISOU 86 CD2 LEU A 27 2612 2629 3757 -541 -142 519 C +ATOM 87 N VAL A 28 -18.608 27.015 -10.910 1.00 14.49 N +ANISOU 87 N VAL A 28 2193 1493 1819 -160 -563 307 N +ATOM 88 CA VAL A 28 -18.543 26.887 -9.458 1.00 15.32 C +ANISOU 88 CA VAL A 28 2067 1758 1995 -378 -533 532 C +ATOM 89 C VAL A 28 -17.112 26.638 -8.995 1.00 15.78 C +ANISOU 89 C VAL A 28 2190 1754 2051 -188 -661 175 C +ATOM 90 O VAL A 28 -16.222 26.321 -9.811 1.00 15.89 O +ANISOU 90 O VAL A 28 2005 1809 2223 -39 -551 473 O +ATOM 91 CB VAL A 28 -19.461 25.735 -8.965 1.00 13.82 C +ANISOU 91 CB VAL A 28 1736 1714 1801 -136 -424 610 C +ATOM 92 CG1 VAL A 28 -20.934 26.068 -9.313 1.00 17.35 C +ANISOU 92 CG1 VAL A 28 1859 2517 2217 -24 -698 671 C +ATOM 93 CG2 VAL A 28 -19.030 24.400 -9.592 1.00 16.56 C +ANISOU 93 CG2 VAL A 28 2329 1725 2235 -434 -474 463 C +ATOM 94 N ARG A 29 -16.904 26.762 -7.682 1.00 14.38 N +ANISOU 94 N ARG A 29 1823 1628 2010 3 -704 634 N +ATOM 95 CA ARG A 29 -15.579 26.613 -7.073 1.00 13.71 C +ANISOU 95 CA ARG A 29 1776 1240 2191 -167 -843 241 C +ATOM 96 C ARG A 29 -15.649 25.531 -6.029 1.00 13.63 C +ANISOU 96 C ARG A 29 1898 1374 1907 -253 -739 126 C +ATOM 97 O ARG A 29 -16.136 25.779 -4.930 1.00 14.66 O +ANISOU 97 O ARG A 29 2062 1520 1988 -218 -721 148 O +ATOM 98 CB ARG A 29 -15.109 27.923 -6.425 1.00 15.65 C +ANISOU 98 CB ARG A 29 1991 1406 2549 -729 -476 307 C +ATOM 99 CG ARG A 29 -13.683 27.868 -5.884 1.00 21.97 C +ANISOU 99 CG ARG A 29 2555 2305 3487 -539 -1276 224 C +ATOM 100 CD ARG A 29 -13.241 29.194 -5.290 1.00 27.46 C +ANISOU 100 CD ARG A 29 4330 2716 3385 -1549 -757 368 C +ATOM 101 NE ARG A 29 -13.150 30.249 -6.290 1.00 32.40 N +ANISOU 101 NE ARG A 29 5718 2374 4216 -1757 -892 456 N +ATOM 102 CZ ARG A 29 -12.098 30.469 -7.085 1.00 38.59 C +ANISOU 102 CZ ARG A 29 6046 3877 4736 -601 -243 1252 C +ATOM 103 NH1 ARG A 29 -11.008 29.687 -7.031 1.00 33.71 N +ANISOU 103 NH1 ARG A 29 4592 3489 4725 -1999 -448 706 N +ATOM 104 NH2 ARG A 29 -12.143 31.485 -7.941 1.00 32.09 N +ANISOU 104 NH2 ARG A 29 4541 3571 4077 -343 -1348 885 N +ATOM 105 N PRO A 30 -15.181 24.316 -6.348 1.00 13.07 N +ANISOU 105 N PRO A 30 1693 1467 1805 -115 -663 269 N +ATOM 106 CA PRO A 30 -15.167 23.263 -5.294 1.00 13.18 C +ANISOU 106 CA PRO A 30 1905 1272 1828 43 -843 239 C +ATOM 107 C PRO A 30 -14.380 23.676 -4.026 1.00 14.69 C +ANISOU 107 C PRO A 30 2222 1502 1854 -115 -915 298 C +ATOM 108 O PRO A 30 -13.327 24.342 -4.121 1.00 16.92 O +ANISOU 108 O PRO A 30 2160 2071 2196 -149 -807 82 O +ATOM 109 CB PRO A 30 -14.405 22.110 -5.977 1.00 13.49 C +ANISOU 109 CB PRO A 30 2277 1242 1605 115 -788 235 C +ATOM 110 CG PRO A 30 -14.762 22.288 -7.456 1.00 15.77 C +ANISOU 110 CG PRO A 30 2552 1571 1867 -69 -942 969 C +ATOM 111 CD PRO A 30 -14.720 23.808 -7.660 1.00 14.98 C +ANISOU 111 CD PRO A 30 2158 1416 2117 118 -322 321 C +ATOM 112 N LYS A 31 -14.847 23.256 -2.852 1.00 14.59 N +ANISOU 112 N LYS A 31 2113 1686 1741 -220 -994 216 N +ATOM 113 CA LYS A 31 -13.977 23.335 -1.654 1.00 13.86 C +ANISOU 113 CA LYS A 31 1899 1465 1899 -226 -993 85 C +ATOM 114 C LYS A 31 -12.770 22.350 -1.863 1.00 15.59 C +ANISOU 114 C LYS A 31 1973 1674 2275 -103 -1118 -140 C +ATOM 115 O LYS A 31 -12.827 21.470 -2.737 1.00 14.44 O +ANISOU 115 O LYS A 31 2139 1438 1909 56 -1123 47 O +ATOM 116 CB LYS A 31 -14.767 22.947 -0.377 1.00 14.58 C +ANISOU 116 CB LYS A 31 2468 1600 1472 211 -811 -37 C +ATOM 117 CG LYS A 31 -15.923 23.899 -0.039 1.00 17.58 C +ANISOU 117 CG LYS A 31 2326 2106 2245 454 -848 231 C +ATOM 118 CD LYS A 31 -16.698 23.330 1.174 1.00 18.03 C +ANISOU 118 CD LYS A 31 2601 2157 2089 601 -574 207 C +ATOM 119 CE LYS A 31 -17.917 24.171 1.536 1.00 22.36 C +ANISOU 119 CE LYS A 31 3021 3146 2329 825 -362 294 C +ATOM 120 NZ LYS A 31 -18.520 23.621 2.790 1.00 22.36 N +ANISOU 120 NZ LYS A 31 2599 3744 2152 -38 -839 429 N +ATOM 121 N PRO A 32 -11.689 22.496 -1.083 1.00 14.00 N +ANISOU 121 N PRO A 32 1862 1556 1900 -232 -933 80 N +ATOM 122 CA PRO A 32 -10.471 21.711 -1.373 1.00 14.88 C +ANISOU 122 CA PRO A 32 1762 1640 2249 -417 -1129 215 C +ATOM 123 C PRO A 32 -10.620 20.195 -1.342 1.00 15.12 C +ANISOU 123 C PRO A 32 1852 1578 2312 -122 -1028 396 C +ATOM 124 O PRO A 32 -9.906 19.527 -2.091 1.00 17.98 O +ANISOU 124 O PRO A 32 2099 1665 3066 -161 -977 28 O +ATOM 125 CB PRO A 32 -9.494 22.178 -0.287 1.00 16.13 C +ANISOU 125 CB PRO A 32 1937 1600 2588 -449 -1406 239 C +ATOM 126 CG PRO A 32 -9.899 23.610 -0.065 1.00 17.20 C +ANISOU 126 CG PRO A 32 1719 1826 2989 -200 -948 225 C +ATOM 127 CD PRO A 32 -11.432 23.532 -0.055 1.00 15.96 C +ANISOU 127 CD PRO A 32 1743 1545 2777 -552 -1099 -268 C +ATOM 128 N LEU A 33 -11.503 19.630 -0.497 1.00 14.16 N +ANISOU 128 N LEU A 33 1915 1290 2174 -271 -979 276 N +ATOM 129 CA LEU A 33 -11.629 18.164 -0.491 1.00 13.71 C +ANISOU 129 CA LEU A 33 1711 1414 2082 -517 -791 161 C +ATOM 130 C LEU A 33 -12.263 17.635 -1.782 1.00 13.85 C +ANISOU 130 C LEU A 33 1784 1416 2061 -122 -976 240 C +ATOM 131 O LEU A 33 -11.824 16.615 -2.303 1.00 15.54 O +ANISOU 131 O LEU A 33 1737 1665 2499 255 -1029 10 O +ATOM 132 CB LEU A 33 -12.380 17.667 0.750 1.00 15.11 C +ANISOU 132 CB LEU A 33 2073 1711 1957 -291 -689 444 C +ATOM 133 CG LEU A 33 -11.661 17.938 2.072 1.00 16.99 C +ANISOU 133 CG LEU A 33 2367 2149 1939 -247 -782 576 C +ATOM 134 CD1 LEU A 33 -12.505 17.536 3.265 1.00 19.43 C +ANISOU 134 CD1 LEU A 33 2345 2353 2681 -697 -340 630 C +ATOM 135 CD2 LEU A 33 -10.289 17.279 2.121 1.00 19.80 C +ANISOU 135 CD2 LEU A 33 2364 2755 2402 -149 -1062 685 C +ATOM 136 N LEU A 34 -13.298 18.296 -2.281 1.00 13.66 N +ANISOU 136 N LEU A 34 1632 1634 1924 -361 -1154 212 N +ATOM 137 CA LEU A 34 -13.846 17.888 -3.563 1.00 12.93 C +ANISOU 137 CA LEU A 34 1544 1714 1653 -21 -876 108 C +ATOM 138 C LEU A 34 -12.805 18.134 -4.651 1.00 13.48 C +ANISOU 138 C LEU A 34 1558 1570 1992 -24 -789 169 C +ATOM 139 O LEU A 34 -12.677 17.308 -5.588 1.00 15.20 O +ANISOU 139 O LEU A 34 1795 1697 2282 150 -909 -9 O +ATOM 140 CB LEU A 34 -15.147 18.621 -3.880 1.00 13.60 C +ANISOU 140 CB LEU A 34 1946 1479 1742 162 -1097 227 C +ATOM 141 CG LEU A 34 -15.764 18.385 -5.268 1.00 13.33 C +ANISOU 141 CG LEU A 34 1680 1486 1896 55 -997 -316 C +ATOM 142 CD1 LEU A 34 -16.003 16.885 -5.555 1.00 14.65 C +ANISOU 142 CD1 LEU A 34 1914 1564 2088 117 -737 -679 C +ATOM 143 CD2 LEU A 34 -17.067 19.162 -5.437 1.00 16.29 C +ANISOU 143 CD2 LEU A 34 1920 1803 2465 397 -889 -370 C +ATOM 144 N LEU A 35 -12.069 19.248 -4.547 1.00 13.80 N +ANISOU 144 N LEU A 35 1435 1689 2119 -103 -567 363 N +ATOM 145 CA LEU A 35 -11.061 19.550 -5.571 1.00 15.22 C +ANISOU 145 CA LEU A 35 1952 1599 2230 -314 -248 256 C +ATOM 146 C LEU A 35 -10.012 18.424 -5.630 1.00 18.01 C +ANISOU 146 C LEU A 35 2072 2112 2656 -33 -718 335 C +ATOM 147 O LEU A 35 -9.621 18.009 -6.726 1.00 18.84 O +ANISOU 147 O LEU A 35 2100 2397 2659 -395 -300 149 O +ATOM 148 CB LEU A 35 -10.383 20.916 -5.327 1.00 19.62 C +ANISOU 148 CB LEU A 35 2628 2088 2737 -945 -457 154 C +ATOM 149 CG LEU A 35 -9.569 21.462 -6.513 1.00 22.63 C +ANISOU 149 CG LEU A 35 3041 2287 3271 -659 -305 572 C +ATOM 150 CD1 LEU A 35 -10.470 21.765 -7.700 1.00 25.75 C +ANISOU 150 CD1 LEU A 35 3898 2736 3148 -501 -527 692 C +ATOM 151 CD2 LEU A 35 -8.857 22.738 -6.081 1.00 27.69 C +ANISOU 151 CD2 LEU A 35 3380 2700 4438 -1402 -848 1134 C +ATOM 152 N LYS A 36 -9.569 17.940 -4.466 1.00 16.70 N +ANISOU 152 N LYS A 36 1767 2022 2555 -77 -745 375 N +ATOM 153 CA LYS A 36 -8.657 16.773 -4.362 1.00 18.01 C +ANISOU 153 CA LYS A 36 1842 2309 2689 238 -900 206 C +ATOM 154 C LYS A 36 -9.157 15.574 -5.186 1.00 18.81 C +ANISOU 154 C LYS A 36 1797 2192 3155 180 -493 90 C +ATOM 155 O LYS A 36 -8.394 14.946 -5.935 1.00 20.68 O +ANISOU 155 O LYS A 36 2061 3126 2670 638 -557 132 O +ATOM 156 CB LYS A 36 -8.448 16.347 -2.887 1.00 18.31 C +ANISOU 156 CB LYS A 36 1599 2682 2675 389 -979 318 C +ATOM 157 CG LYS A 36 -7.600 15.068 -2.671 1.00 27.44 C +ANISOU 157 CG LYS A 36 3756 3162 3505 1229 -1132 820 C +ATOM 158 CD LYS A 36 -7.466 14.629 -1.183 1.00 26.47 C +ANISOU 158 CD LYS A 36 4085 2674 3297 1594 -1208 432 C +ATOM 159 CE LYS A 36 -6.844 13.245 -0.985 1.00 39.07 C +ANISOU 159 CE LYS A 36 5595 4054 5196 2852 -1446 -288 C +ATOM 160 NZ LYS A 36 -5.442 13.217 -1.459 1.00 52.34 N +ANISOU 160 NZ LYS A 36 6093 6940 6853 3225 139 262 N +ATOM 161 N LEU A 37 -10.435 15.248 -4.996 1.00 16.56 N +ANISOU 161 N LEU A 37 1776 2153 2362 234 -667 87 N +ATOM 162 CA ALEU A 37 -11.074 14.181 -5.722 0.80 16.88 C +ANISOU 162 CA ALEU A 37 1831 1934 2648 -14 -398 235 C +ATOM 163 CA BLEU A 37 -11.110 14.185 -5.745 0.20 16.62 C +ANISOU 163 CA BLEU A 37 1799 1959 2556 176 -500 142 C +ATOM 164 C LEU A 37 -10.994 14.398 -7.244 1.00 15.74 C +ANISOU 164 C LEU A 37 1624 1776 2579 410 -458 276 C +ATOM 165 O LEU A 37 -10.601 13.485 -8.004 1.00 19.03 O +ANISOU 165 O LEU A 37 2199 1965 3065 613 -96 124 O +ATOM 166 CB ALEU A 37 -12.517 14.074 -5.247 0.80 18.13 C +ANISOU 166 CB ALEU A 37 1970 2398 2519 334 -185 597 C +ATOM 167 CB BLEU A 37 -12.597 14.123 -5.389 0.20 17.04 C +ANISOU 167 CB BLEU A 37 1866 2205 2402 261 -397 220 C +ATOM 168 CG ALEU A 37 -13.303 12.825 -5.576 0.80 17.96 C +ANISOU 168 CG ALEU A 37 2511 1716 2595 809 -188 178 C +ATOM 169 CG BLEU A 37 -13.025 13.500 -4.072 0.20 17.30 C +ANISOU 169 CG BLEU A 37 2257 1997 2317 341 -390 115 C +ATOM 170 CD1ALEU A 37 -14.388 12.587 -4.514 0.80 21.75 C +ANISOU 170 CD1ALEU A 37 2453 2454 3353 -180 88 444 C +ATOM 171 CD1BLEU A 37 -14.530 13.288 -4.075 0.20 16.85 C +ANISOU 171 CD1BLEU A 37 2218 2209 1975 447 69 -123 C +ATOM 172 CD2ALEU A 37 -13.907 12.941 -6.965 0.80 18.88 C +ANISOU 172 CD2ALEU A 37 1945 2082 3143 855 -633 -19 C +ATOM 173 CD2BLEU A 37 -12.296 12.182 -3.898 0.20 17.49 C +ANISOU 173 CD2BLEU A 37 1993 1921 2730 271 -543 -70 C +ATOM 174 N LEU A 38 -11.366 15.583 -7.699 1.00 14.85 N +ANISOU 174 N LEU A 38 1563 1690 2387 118 -377 288 N +ATOM 175 CA LEU A 38 -11.334 15.871 -9.128 1.00 15.76 C +ANISOU 175 CA LEU A 38 1852 1779 2357 625 -83 332 C +ATOM 176 C LEU A 38 -9.913 15.810 -9.692 1.00 17.86 C +ANISOU 176 C LEU A 38 1736 2358 2690 269 -238 464 C +ATOM 177 O LEU A 38 -9.712 15.249 -10.771 1.00 19.22 O +ANISOU 177 O LEU A 38 2253 2563 2487 376 -146 245 O +ATOM 178 CB LEU A 38 -11.965 17.248 -9.413 1.00 17.36 C +ANISOU 178 CB LEU A 38 2438 1870 2286 779 -170 323 C +ATOM 179 CG LEU A 38 -13.399 17.427 -8.890 1.00 19.92 C +ANISOU 179 CG LEU A 38 2042 1979 3544 591 -579 -8 C +ATOM 180 CD1 LEU A 38 -13.897 18.828 -9.233 1.00 21.77 C +ANISOU 180 CD1 LEU A 38 2939 2158 3172 522 -1159 404 C +ATOM 181 CD2 LEU A 38 -14.403 16.354 -9.330 1.00 21.39 C +ANISOU 181 CD2 LEU A 38 2251 2679 3194 261 -545 -43 C +ATOM 182 N LYS A 39 -8.941 16.369 -8.958 1.00 17.27 N +ANISOU 182 N LYS A 39 1581 2306 2674 156 -43 373 N +ATOM 183 CA ALYS A 39 -7.535 16.370 -9.384 0.80 20.32 C +ANISOU 183 CA ALYS A 39 1440 2772 3506 495 -174 261 C +ATOM 184 CA BLYS A 39 -7.542 16.372 -9.384 0.20 19.02 C +ANISOU 184 CA BLYS A 39 1580 2574 3072 188 -14 383 C +ATOM 185 C LYS A 39 -7.005 14.948 -9.502 1.00 20.77 C +ANISOU 185 C LYS A 39 1914 2602 3373 333 143 357 C +ATOM 186 O LYS A 39 -6.138 14.674 -10.339 1.00 22.91 O +ANISOU 186 O LYS A 39 2043 3079 3581 432 259 210 O +ATOM 187 CB ALYS A 39 -6.664 17.118 -8.365 0.80 27.22 C +ANISOU 187 CB ALYS A 39 2285 3428 4626 -285 -185 -341 C +ATOM 188 CB BLYS A 39 -6.683 17.175 -8.399 0.20 22.26 C +ANISOU 188 CB BLYS A 39 1994 3168 3295 -426 -18 381 C +ATOM 189 CG ALYS A 39 -6.998 18.593 -8.197 0.80 35.34 C +ANISOU 189 CG ALYS A 39 3461 3801 6167 -15 679 -1196 C +ATOM 190 CG BLYS A 39 -6.841 18.687 -8.504 0.20 16.46 C +ANISOU 190 CG BLYS A 39 1947 2806 1499 -1308 515 897 C +ATOM 191 CD ALYS A 39 -6.122 19.481 -9.058 0.80 46.73 C +ANISOU 191 CD ALYS A 39 4811 5447 7497 -572 819 -31 C +ATOM 192 CD BLYS A 39 -5.676 19.332 -9.235 0.20 24.97 C +ANISOU 192 CD BLYS A 39 2380 5093 2014 -1995 41 1153 C +ATOM 193 CE ALYS A 39 -6.504 20.944 -8.911 0.80 50.95 C +ANISOU 193 CE ALYS A 39 5353 5818 8184 -311 -309 -1517 C +ATOM 194 CE BLYS A 39 -5.863 20.837 -9.350 0.20 32.23 C +ANISOU 194 CE BLYS A 39 3810 4860 3573 -391 -551 914 C +ATOM 195 NZ ALYS A 39 -5.934 21.539 -7.673 0.80 45.67 N +ANISOU 195 NZ ALYS A 39 4217 5853 7283 2315 -1128 -828 N +ATOM 196 NZ BLYS A 39 -7.231 21.202 -9.814 0.20 27.20 N +ANISOU 196 NZ BLYS A 39 4825 2698 2808 -90 -1194 1608 N +ATOM 197 N SER A 40 -7.510 14.045 -8.650 1.00 20.31 N +ANISOU 197 N SER A 40 2050 2341 3323 140 -514 432 N +ATOM 198 CA SER A 40 -7.035 12.661 -8.650 1.00 20.43 C +ANISOU 198 CA SER A 40 2383 2350 3031 379 222 402 C +ATOM 199 C SER A 40 -7.358 11.925 -9.970 1.00 21.56 C +ANISOU 199 C SER A 40 2307 2703 3182 991 99 -57 C +ATOM 200 O SER A 40 -6.747 10.895 -10.276 1.00 26.02 O +ANISOU 200 O SER A 40 2461 3246 4179 1445 863 112 O +ATOM 201 CB SER A 40 -7.577 11.860 -7.450 1.00 21.29 C +ANISOU 201 CB SER A 40 2237 2438 3414 635 92 1087 C +ATOM 202 OG SER A 40 -8.902 11.408 -7.660 1.00 22.40 O +ANISOU 202 OG SER A 40 2618 2577 3313 534 -4 481 O +ATOM 203 N VAL A 41 -8.320 12.450 -10.729 1.00 20.85 N +ANISOU 203 N VAL A 41 2360 3066 2493 256 72 457 N +ATOM 204 CA VAL A 41 -8.633 11.890 -12.054 1.00 22.32 C +ANISOU 204 CA VAL A 41 2144 3185 3151 63 -201 -32 C +ATOM 205 C VAL A 41 -8.337 12.882 -13.186 1.00 25.13 C +ANISOU 205 C VAL A 41 2499 3581 3466 305 -201 220 C +ATOM 206 O VAL A 41 -8.910 12.814 -14.273 1.00 29.35 O +ANISOU 206 O VAL A 41 3330 4044 3775 -2 -700 -206 O +ATOM 207 CB VAL A 41 -10.066 11.325 -12.141 1.00 20.54 C +ANISOU 207 CB VAL A 41 2322 2422 3058 -163 330 -92 C +ATOM 208 CG1 VAL A 41 -10.173 10.030 -11.340 1.00 21.52 C +ANISOU 208 CG1 VAL A 41 1818 2620 3736 -204 654 265 C +ATOM 209 CG2 VAL A 41 -11.087 12.354 -11.688 1.00 23.39 C +ANISOU 209 CG2 VAL A 41 1924 3372 3588 126 -3 -196 C +ATOM 210 N GLY A 42 -7.410 13.792 -12.921 1.00 22.53 N +ANISOU 210 N GLY A 42 2489 2776 3293 465 444 101 N +ATOM 211 CA GLY A 42 -6.778 14.567 -13.977 1.00 26.78 C +ANISOU 211 CA GLY A 42 3437 3456 3280 434 182 797 C +ATOM 212 C GLY A 42 -7.330 15.966 -14.175 1.00 28.06 C +ANISOU 212 C GLY A 42 2937 3446 4275 442 983 535 C +ATOM 213 O GLY A 42 -6.894 16.683 -15.081 1.00 29.01 O +ANISOU 213 O GLY A 42 3508 4133 3378 649 1013 604 O +ATOM 214 N ALA A 43 -8.254 16.396 -13.328 1.00 22.63 N +ANISOU 214 N ALA A 43 2120 3158 3320 131 393 766 N +ATOM 215 CA ALA A 43 -8.718 17.778 -13.451 1.00 26.76 C +ANISOU 215 CA ALA A 43 2737 3161 4268 193 656 756 C +ATOM 216 C ALA A 43 -7.592 18.747 -13.070 1.00 31.60 C +ANISOU 216 C ALA A 43 3305 4195 4504 -193 -148 985 C +ATOM 217 O ALA A 43 -6.753 18.439 -12.215 1.00 34.55 O +ANISOU 217 O ALA A 43 3433 5076 4615 -664 -544 732 O +ATOM 218 CB ALA A 43 -9.971 18.001 -12.625 1.00 24.13 C +ANISOU 218 CB ALA A 43 2563 2942 3662 357 421 895 C +ATOM 219 N GLN A 44 -7.539 19.900 -13.722 1.00 29.02 N +ANISOU 219 N GLN A 44 2507 3463 5054 275 1068 469 N +ATOM 220 CA GLN A 44 -6.370 20.783 -13.560 1.00 36.59 C +ANISOU 220 CA GLN A 44 3982 4096 5821 -670 1429 -273 C +ATOM 221 C GLN A 44 -6.634 22.220 -13.106 1.00 38.50 C +ANISOU 221 C GLN A 44 3455 3678 7494 213 323 287 C +ATOM 222 O GLN A 44 -5.698 23.010 -12.995 1.00 49.02 O +ANISOU 222 O GLN A 44 3009 5657 9957 -236 145 408 O +ATOM 223 CB GLN A 44 -5.545 20.792 -14.848 1.00 41.85 C +ANISOU 223 CB GLN A 44 4356 5111 6431 -2 2037 642 C +ATOM 224 CG GLN A 44 -4.759 19.512 -15.064 1.00 44.13 C +ANISOU 224 CG GLN A 44 4714 5952 6101 306 1851 -252 C +ATOM 225 CD GLN A 44 -3.743 19.664 -16.160 1.00 36.81 C +ANISOU 225 CD GLN A 44 4008 5994 3984 978 487 -134 C +ATOM 226 OE1 GLN A 44 -4.096 19.773 -17.343 1.00 50.75 O +ANISOU 226 OE1 GLN A 44 7044 8120 4117 -126 -15 1012 O +ATOM 227 NE2 GLN A 44 -2.467 19.680 -15.781 1.00 47.46 N +ANISOU 227 NE2 GLN A 44 4246 6085 7699 -356 17 -545 N +ATOM 228 N LYS A 45 -7.889 22.552 -12.833 1.00 33.17 N +ANISOU 228 N LYS A 45 3195 4080 5327 -271 588 410 N +ATOM 229 CA LYS A 45 -8.305 23.942 -12.588 1.00 29.68 C +ANISOU 229 CA LYS A 45 2900 3965 4409 -455 301 758 C +ATOM 230 C LYS A 45 -8.889 24.065 -11.184 1.00 28.42 C +ANISOU 230 C LYS A 45 2999 3346 4452 -210 230 786 C +ATOM 231 O LYS A 45 -9.115 23.053 -10.528 1.00 24.06 O +ANISOU 231 O LYS A 45 2254 3049 3838 78 -356 762 O +ATOM 232 CB LYS A 45 -9.380 24.342 -13.600 1.00 36.24 C +ANISOU 232 CB LYS A 45 4538 4767 4461 -115 295 2205 C +ATOM 233 CG LYS A 45 -8.996 24.188 -15.069 1.00 47.61 C +ANISOU 233 CG LYS A 45 6243 6848 4998 1015 -54 566 C +ATOM 234 CD LYS A 45 -10.193 24.471 -15.969 1.00 47.58 C +ANISOU 234 CD LYS A 45 7347 7074 3656 241 -824 -640 C +ATOM 235 CE LYS A 45 -11.296 23.436 -15.778 1.00 54.67 C +ANISOU 235 CE LYS A 45 7562 7231 5976 165 -901 -494 C +ATOM 236 NZ LYS A 45 -12.624 23.910 -16.255 1.00 53.09 N +ANISOU 236 NZ LYS A 45 6576 4874 8722 -368 692 905 N +ATOM 237 N ASP A 46 -9.156 25.298 -10.746 1.00 22.74 N +ANISOU 237 N ASP A 46 1776 3451 3410 -403 -182 290 N +ATOM 238 CA ASP A 46 -9.816 25.549 -9.469 1.00 22.20 C +ANISOU 238 CA ASP A 46 2133 2657 3643 -225 -304 331 C +ATOM 239 C ASP A 46 -11.323 25.763 -9.624 1.00 20.26 C +ANISOU 239 C ASP A 46 2049 2865 2781 -447 -609 1194 C +ATOM 240 O ASP A 46 -12.053 25.720 -8.632 1.00 21.43 O +ANISOU 240 O ASP A 46 2362 2615 3162 -634 -373 693 O +ATOM 241 CB ASP A 46 -9.221 26.800 -8.802 1.00 27.42 C +ANISOU 241 CB ASP A 46 2734 3165 4518 -862 -834 210 C +ATOM 242 CG ASP A 46 -7.786 26.592 -8.336 1.00 34.01 C +ANISOU 242 CG ASP A 46 2796 3390 6734 -470 -997 586 C +ATOM 243 OD1 ASP A 46 -7.444 25.474 -7.892 1.00 33.09 O +ANISOU 243 OD1 ASP A 46 2422 4588 5560 -202 -960 1587 O +ATOM 244 OD2 ASP A 46 -6.996 27.557 -8.405 1.00 43.70 O +ANISOU 244 OD2 ASP A 46 2779 5750 8072 -1718 -842 543 O +ATOM 245 N THR A 47 -11.781 26.071 -10.845 1.00 17.73 N +ANISOU 245 N THR A 47 1742 2510 2484 -311 -506 399 N +ATOM 246 CA THR A 47 -13.216 26.316 -11.078 1.00 15.76 C +ANISOU 246 CA THR A 47 1837 1811 2339 -328 -658 380 C +ATOM 247 C THR A 47 -13.683 25.483 -12.252 1.00 17.16 C +ANISOU 247 C THR A 47 2073 2099 2347 -338 -509 369 C +ATOM 248 O THR A 47 -12.905 25.234 -13.162 1.00 20.22 O +ANISOU 248 O THR A 47 2311 2482 2888 -44 129 712 O +ATOM 249 CB THR A 47 -13.522 27.801 -11.344 1.00 18.68 C +ANISOU 249 CB THR A 47 2611 1950 2534 -221 -480 689 C +ATOM 250 OG1 THR A 47 -12.814 28.268 -12.496 1.00 23.64 O +ANISOU 250 OG1 THR A 47 2992 2440 3548 -763 -141 946 O +ATOM 251 CG2 THR A 47 -13.095 28.643 -10.135 1.00 23.97 C +ANISOU 251 CG2 THR A 47 3695 2819 2591 -355 -900 357 C +ATOM 252 N TYR A 48 -14.947 25.046 -12.211 1.00 16.31 N +ANISOU 252 N TYR A 48 2019 1892 2283 -427 -676 537 N +ATOM 253 CA TYR A 48 -15.509 24.142 -13.216 1.00 15.12 C +ANISOU 253 CA TYR A 48 1959 1816 1969 133 -724 419 C +ATOM 254 C TYR A 48 -16.980 24.461 -13.392 1.00 14.39 C +ANISOU 254 C TYR A 48 1876 1721 1869 189 -464 463 C +ATOM 255 O TYR A 48 -17.618 24.954 -12.456 1.00 17.68 O +ANISOU 255 O TYR A 48 2049 2311 2356 206 -388 100 O +ATOM 256 CB TYR A 48 -15.462 22.705 -12.691 1.00 17.93 C +ANISOU 256 CB TYR A 48 2177 1753 2881 112 -524 375 C +ATOM 257 CG TYR A 48 -14.063 22.223 -12.426 1.00 22.80 C +ANISOU 257 CG TYR A 48 2134 2752 3777 21 -673 441 C +ATOM 258 CD1 TYR A 48 -13.458 22.436 -11.166 1.00 21.36 C +ANISOU 258 CD1 TYR A 48 2250 2451 3414 -255 -501 981 C +ATOM 259 CD2 TYR A 48 -13.331 21.600 -13.410 1.00 26.80 C +ANISOU 259 CD2 TYR A 48 1981 3103 5099 -4 -311 -116 C +ATOM 260 CE1 TYR A 48 -12.182 22.003 -10.899 1.00 24.00 C +ANISOU 260 CE1 TYR A 48 2320 2684 4114 -104 -444 505 C +ATOM 261 CE2 TYR A 48 -12.018 21.160 -13.152 1.00 27.16 C +ANISOU 261 CE2 TYR A 48 2566 3311 4440 697 -803 311 C +ATOM 262 CZ TYR A 48 -11.459 21.369 -11.909 1.00 25.51 C +ANISOU 262 CZ TYR A 48 2449 2766 4478 56 -283 82 C +ATOM 263 OH TYR A 48 -10.179 20.943 -11.641 1.00 28.46 O +ANISOU 263 OH TYR A 48 2644 4340 3829 503 -197 483 O +ATOM 264 N THR A 49 -17.571 24.105 -14.525 1.00 14.72 N +ANISOU 264 N THR A 49 1839 1746 2006 162 -531 486 N +ATOM 265 CA THR A 49 -19.054 24.098 -14.542 1.00 14.61 C +ANISOU 265 CA THR A 49 1886 2042 1623 245 -312 484 C +ATOM 266 C THR A 49 -19.559 22.870 -13.769 1.00 14.96 C +ANISOU 266 C THR A 49 2029 1780 1872 184 -301 331 C +ATOM 267 O THR A 49 -18.813 21.881 -13.564 1.00 14.38 O +ANISOU 267 O THR A 49 1777 1828 1858 228 -429 68 O +ATOM 268 CB THR A 49 -19.609 24.015 -15.960 1.00 17.21 C +ANISOU 268 CB THR A 49 2829 2054 1655 101 -511 274 C +ATOM 269 OG1 THR A 49 -19.184 22.772 -16.543 1.00 16.36 O +ANISOU 269 OG1 THR A 49 2464 2055 1697 70 -237 317 O +ATOM 270 CG2 THR A 49 -19.132 25.216 -16.808 1.00 21.46 C +ANISOU 270 CG2 THR A 49 2948 2580 2622 -113 -424 841 C +ATOM 271 N MET A 50 -20.827 22.893 -13.358 1.00 14.11 N +ANISOU 271 N MET A 50 2028 1920 1413 148 -364 342 N +ATOM 272 CA MET A 50 -21.381 21.712 -12.683 1.00 13.67 C +ANISOU 272 CA MET A 50 1897 1723 1571 9 -221 155 C +ATOM 273 C MET A 50 -21.291 20.468 -13.595 1.00 13.47 C +ANISOU 273 C MET A 50 1948 1716 1450 21 -341 193 C +ATOM 274 O MET A 50 -20.989 19.353 -13.127 1.00 14.75 O +ANISOU 274 O MET A 50 1818 1992 1793 323 -204 300 O +ATOM 275 CB MET A 50 -22.835 21.950 -12.203 1.00 15.30 C +ANISOU 275 CB MET A 50 1864 2217 1729 519 -489 -293 C +ATOM 276 CG MET A 50 -22.918 22.827 -10.954 1.00 18.31 C +ANISOU 276 CG MET A 50 2820 2453 1683 199 -544 -322 C +ATOM 277 SD MET A 50 -22.226 22.016 -9.473 1.00 19.54 S +ANISOU 277 SD MET A 50 2305 3052 2067 -629 -613 277 S +ATOM 278 CE MET A 50 -23.601 20.990 -8.957 1.00 17.17 C +ANISOU 278 CE MET A 50 1958 2319 2245 -435 -652 127 C +ATOM 279 N LYS A 51 -21.540 20.653 -14.902 1.00 14.69 N +ANISOU 279 N LYS A 51 2101 2075 1404 98 -272 -40 N +ATOM 280 CA ALYS A 51 -21.438 19.548 -15.839 0.50 15.78 C +ANISOU 280 CA ALYS A 51 2495 2051 1447 303 -191 -24 C +ATOM 281 CA BLYS A 51 -21.430 19.558 -15.856 0.50 16.14 C +ANISOU 281 CA BLYS A 51 2525 2066 1538 332 -203 -69 C +ATOM 282 C LYS A 51 -20.030 18.919 -15.810 1.00 16.15 C +ANISOU 282 C LYS A 51 2310 1996 1830 72 -569 36 C +ATOM 283 O LYS A 51 -19.888 17.686 -15.854 1.00 15.66 O +ANISOU 283 O LYS A 51 2458 1912 1578 119 0 276 O +ATOM 284 CB ALYS A 51 -21.839 19.987 -17.256 0.50 17.96 C +ANISOU 284 CB ALYS A 51 3086 2147 1590 413 -463 11 C +ATOM 285 CB BLYS A 51 -21.786 20.025 -17.279 0.50 19.05 C +ANISOU 285 CB BLYS A 51 3297 2220 1719 407 -590 -23 C +ATOM 286 CG ALYS A 51 -22.098 18.826 -18.209 0.50 20.04 C +ANISOU 286 CG ALYS A 51 3239 2627 1746 179 -534 -207 C +ATOM 287 CG BLYS A 51 -21.732 18.915 -18.324 0.50 22.99 C +ANISOU 287 CG BLYS A 51 3790 2664 2278 463 -561 -473 C +ATOM 288 CD ALYS A 51 -22.588 19.321 -19.564 0.50 25.57 C +ANISOU 288 CD ALYS A 51 3420 4305 1989 119 -1138 -130 C +ATOM 289 CD BLYS A 51 -22.379 19.328 -19.639 0.50 30.62 C +ANISOU 289 CD BLYS A 51 4244 4696 2692 -28 -1334 -320 C +ATOM 290 CE ALYS A 51 -22.693 18.168 -20.541 0.50 31.73 C +ANISOU 290 CE ALYS A 51 4733 4145 3178 265 -1168 -447 C +ATOM 291 CE BLYS A 51 -22.190 18.235 -20.677 0.50 39.41 C +ANISOU 291 CE BLYS A 51 5773 5032 4167 20 -1349 -1117 C +ATOM 292 NZ ALYS A 51 -23.177 18.626 -21.871 0.50 31.08 N +ANISOU 292 NZ ALYS A 51 4608 3958 3241 726 -1177 -399 N +ATOM 293 NZ BLYS A 51 -22.549 16.895 -20.131 0.50 40.66 N +ANISOU 293 NZ BLYS A 51 5817 4672 4959 160 -569 -1281 N +ATOM 294 N GLU A 52 -18.987 19.758 -15.755 1.00 14.80 N +ANISOU 294 N GLU A 52 1974 2066 1583 182 -212 71 N +ATOM 295 CA GLU A 52 -17.600 19.258 -15.634 1.00 16.60 C +ANISOU 295 CA GLU A 52 2109 2284 1915 119 -18 383 C +ATOM 296 C GLU A 52 -17.376 18.531 -14.312 1.00 14.00 C +ANISOU 296 C GLU A 52 1902 1900 1517 120 -160 -48 C +ATOM 297 O GLU A 52 -16.707 17.493 -14.271 1.00 14.90 O +ANISOU 297 O GLU A 52 2244 1903 1511 218 -126 429 O +ATOM 298 CB GLU A 52 -16.591 20.404 -15.804 1.00 16.15 C +ANISOU 298 CB GLU A 52 2405 2137 1591 -23 287 413 C +ATOM 299 CG GLU A 52 -16.484 20.903 -17.229 1.00 20.95 C +ANISOU 299 CG GLU A 52 3135 2901 1924 156 582 919 C +ATOM 300 CD GLU A 52 -15.692 22.195 -17.368 1.00 26.18 C +ANISOU 300 CD GLU A 52 4001 3361 2585 -498 970 347 C +ATOM 301 OE1 GLU A 52 -15.714 23.017 -16.441 1.00 23.79 O +ANISOU 301 OE1 GLU A 52 3655 3024 2360 -556 449 599 O +ATOM 302 OE2 GLU A 52 -15.068 22.409 -18.436 0.50 27.20 O +ANISOU 302 OE2 GLU A 52 4138 3198 2995 -1739 1307 450 O +ATOM 303 N VAL A 53 -17.917 19.079 -13.210 1.00 13.20 N +ANISOU 303 N VAL A 53 1951 1894 1169 29 -207 182 N +ATOM 304 CA VAL A 53 -17.792 18.386 -11.901 1.00 12.43 C +ANISOU 304 CA VAL A 53 1826 1557 1339 152 -193 259 C +ATOM 305 C VAL A 53 -18.381 16.981 -11.992 1.00 12.23 C +ANISOU 305 C VAL A 53 1700 1714 1233 159 -353 141 C +ATOM 306 O VAL A 53 -17.753 16.006 -11.556 1.00 13.36 O +ANISOU 306 O VAL A 53 1866 1557 1650 248 -288 160 O +ATOM 307 CB VAL A 53 -18.443 19.191 -10.752 1.00 12.85 C +ANISOU 307 CB VAL A 53 2051 1348 1481 45 -96 314 C +ATOM 308 CG1 VAL A 53 -18.390 18.383 -9.469 1.00 13.15 C +ANISOU 308 CG1 VAL A 53 1605 1885 1505 182 -370 521 C +ATOM 309 CG2 VAL A 53 -17.706 20.522 -10.552 1.00 13.54 C +ANISOU 309 CG2 VAL A 53 1692 1489 1963 33 -124 -81 C +ATOM 310 N LEU A 54 -19.561 16.862 -12.612 1.00 12.17 N +ANISOU 310 N LEU A 54 1592 1691 1341 -144 -318 79 N +ATOM 311 CA LEU A 54 -20.178 15.536 -12.774 1.00 14.04 C +ANISOU 311 CA LEU A 54 1779 1835 1721 -60 -571 -263 C +ATOM 312 C LEU A 54 -19.363 14.610 -13.652 1.00 15.18 C +ANISOU 312 C LEU A 54 1971 1911 1885 91 -147 132 C +ATOM 313 O LEU A 54 -19.278 13.405 -13.373 1.00 16.02 O +ANISOU 313 O LEU A 54 2276 1731 2078 368 -572 -14 O +ATOM 314 CB LEU A 54 -21.606 15.693 -13.328 1.00 13.90 C +ANISOU 314 CB LEU A 54 1752 1856 1670 118 -519 221 C +ATOM 315 CG LEU A 54 -22.710 15.828 -12.277 1.00 14.83 C +ANISOU 315 CG LEU A 54 2440 1458 1733 -285 -30 -34 C +ATOM 316 CD1 LEU A 54 -22.787 14.614 -11.326 1.00 14.86 C +ANISOU 316 CD1 LEU A 54 2395 1606 1643 -167 -473 49 C +ATOM 317 CD2 LEU A 54 -22.487 17.114 -11.509 1.00 15.87 C +ANISOU 317 CD2 LEU A 54 2592 1486 1950 -163 16 -106 C +ATOM 318 N PHE A 55 -18.751 15.157 -14.712 1.00 15.46 N +ANISOU 318 N PHE A 55 2096 1931 1847 113 -132 145 N +ATOM 319 CA PHE A 55 -17.897 14.332 -15.573 1.00 15.52 C +ANISOU 319 CA PHE A 55 1828 2242 1826 111 -23 283 C +ATOM 320 C PHE A 55 -16.752 13.736 -14.759 1.00 16.22 C +ANISOU 320 C PHE A 55 2347 2005 1811 246 -344 -47 C +ATOM 321 O PHE A 55 -16.466 12.540 -14.820 1.00 18.75 O +ANISOU 321 O PHE A 55 2960 2153 2010 691 -353 234 O +ATOM 322 CB PHE A 55 -17.333 15.181 -16.707 1.00 17.06 C +ANISOU 322 CB PHE A 55 2378 2438 1666 263 181 196 C +ATOM 323 CG PHE A 55 -16.285 14.473 -17.502 1.00 21.18 C +ANISOU 323 CG PHE A 55 2933 3096 2017 847 222 -44 C +ATOM 324 CD1 PHE A 55 -16.650 13.545 -18.469 1.00 26.81 C +ANISOU 324 CD1 PHE A 55 4191 3190 2803 1062 -4 -261 C +ATOM 325 CD2 PHE A 55 -14.929 14.681 -17.228 1.00 22.41 C +ANISOU 325 CD2 PHE A 55 2958 3211 2345 594 259 457 C +ATOM 326 CE1 PHE A 55 -15.678 12.859 -19.186 1.00 29.79 C +ANISOU 326 CE1 PHE A 55 4320 3688 3310 1197 416 -295 C +ATOM 327 CE2 PHE A 55 -13.957 13.997 -17.933 1.00 27.78 C +ANISOU 327 CE2 PHE A 55 3775 3297 3483 857 72 -428 C +ATOM 328 CZ PHE A 55 -14.335 13.094 -18.922 1.00 32.42 C +ANISOU 328 CZ PHE A 55 4527 4330 3459 984 756 -1250 C +ATOM 329 N TYR A 56 -16.064 14.580 -14.009 1.00 14.56 N +ANISOU 329 N TYR A 56 2028 2087 1415 223 -338 10 N +ATOM 330 CA TYR A 56 -14.920 14.060 -13.228 1.00 16.29 C +ANISOU 330 CA TYR A 56 2032 2074 2083 1 -461 183 C +ATOM 331 C TYR A 56 -15.326 13.149 -12.075 1.00 16.29 C +ANISOU 331 C TYR A 56 2257 1846 2084 392 -163 51 C +ATOM 332 O TYR A 56 -14.615 12.185 -11.784 1.00 15.02 O +ANISOU 332 O TYR A 56 1969 1535 2201 219 141 185 O +ATOM 333 CB TYR A 56 -14.063 15.216 -12.730 1.00 16.34 C +ANISOU 333 CB TYR A 56 2024 2124 2061 -256 -124 251 C +ATOM 334 CG TYR A 56 -13.246 15.850 -13.847 1.00 19.35 C +ANISOU 334 CG TYR A 56 2283 2439 2630 -105 409 448 C +ATOM 335 CD1 TYR A 56 -12.200 15.154 -14.457 1.00 23.33 C +ANISOU 335 CD1 TYR A 56 2833 2864 3165 348 433 113 C +ATOM 336 CD2 TYR A 56 -13.506 17.160 -14.268 1.00 18.97 C +ANISOU 336 CD2 TYR A 56 2538 2251 2416 -404 71 391 C +ATOM 337 CE1 TYR A 56 -11.438 15.739 -15.466 1.00 26.23 C +ANISOU 337 CE1 TYR A 56 2883 3579 3502 179 553 109 C +ATOM 338 CE2 TYR A 56 -12.759 17.741 -15.284 1.00 24.67 C +ANISOU 338 CE2 TYR A 56 3133 3561 2680 -149 785 302 C +ATOM 339 CZ TYR A 56 -11.732 17.026 -15.874 1.00 28.60 C +ANISOU 339 CZ TYR A 56 3486 3827 3551 -169 1143 576 C +ATOM 340 OH TYR A 56 -11.005 17.631 -16.859 1.00 33.24 O +ANISOU 340 OH TYR A 56 3913 4345 4370 -276 1504 1118 O +ATOM 341 N LEU A 57 -16.448 13.446 -11.411 1.00 13.76 N +ANISOU 341 N LEU A 57 1938 1701 1590 71 -292 78 N +ATOM 342 CA ALEU A 57 -16.943 12.529 -10.365 0.80 13.84 C +ANISOU 342 CA ALEU A 57 2047 1508 1702 288 43 -12 C +ATOM 343 CA BLEU A 57 -16.987 12.565 -10.385 0.20 13.71 C +ANISOU 343 CA BLEU A 57 1990 1575 1642 256 -93 21 C +ATOM 344 C LEU A 57 -17.272 11.197 -11.002 1.00 13.42 C +ANISOU 344 C LEU A 57 1963 1569 1567 472 -176 -21 C +ATOM 345 O LEU A 57 -16.991 10.183 -10.428 1.00 13.47 O +ANISOU 345 O LEU A 57 1899 1587 1629 403 -104 49 O +ATOM 346 CB ALEU A 57 -18.195 13.045 -9.658 0.80 16.48 C +ANISOU 346 CB ALEU A 57 1849 2163 2247 217 27 -291 C +ATOM 347 CB BLEU A 57 -18.270 13.164 -9.812 0.20 14.24 C +ANISOU 347 CB BLEU A 57 1966 1703 1741 196 -57 -48 C +ATOM 348 CG ALEU A 57 -18.016 14.137 -8.621 0.80 14.32 C +ANISOU 348 CG ALEU A 57 1431 2086 1920 222 -246 -67 C +ATOM 349 CG BLEU A 57 -18.811 12.546 -8.530 0.20 13.28 C +ANISOU 349 CG BLEU A 57 2009 1306 1731 331 -128 17 C +ATOM 350 CD1ALEU A 57 -19.365 14.744 -8.217 0.80 16.63 C +ANISOU 350 CD1ALEU A 57 2066 1964 2289 578 250 -93 C +ATOM 351 CD1BLEU A 57 -17.685 12.314 -7.544 0.20 14.50 C +ANISOU 351 CD1BLEU A 57 2148 1524 1834 214 -274 26 C +ATOM 352 CD2ALEU A 57 -17.309 13.555 -7.407 0.80 19.69 C +ANISOU 352 CD2ALEU A 57 3185 2661 1635 391 -667 -112 C +ATOM 353 CD2BLEU A 57 -19.873 13.451 -7.923 0.20 12.64 C +ANISOU 353 CD2BLEU A 57 1739 1213 1850 278 -404 -92 C +ATOM 354 N GLY A 58 -17.881 11.195 -12.188 1.00 14.25 N +ANISOU 354 N GLY A 58 2266 1724 1421 390 -272 -38 N +ATOM 355 CA GLY A 58 -18.175 9.933 -12.879 1.00 15.10 C +ANISOU 355 CA GLY A 58 2042 2026 1668 226 -169 -245 C +ATOM 356 C GLY A 58 -16.906 9.176 -13.180 1.00 15.09 C +ANISOU 356 C GLY A 58 2244 1684 1805 327 -76 -64 C +ATOM 357 O GLY A 58 -16.863 7.962 -12.974 1.00 15.91 O +ANISOU 357 O GLY A 58 2495 1585 1964 415 -407 -203 O +ATOM 358 N GLN A 59 -15.856 9.885 -13.623 1.00 15.83 N +ANISOU 358 N GLN A 59 2242 1907 1865 391 -62 -56 N +ATOM 359 CA AGLN A 59 -14.567 9.246 -13.901 0.50 16.61 C +ANISOU 359 CA AGLN A 59 2078 2114 2118 276 22 175 C +ATOM 360 CA BGLN A 59 -14.541 9.277 -13.898 0.50 16.52 C +ANISOU 360 CA BGLN A 59 2074 2063 2140 265 -8 154 C +ATOM 361 C GLN A 59 -13.975 8.634 -12.629 1.00 16.89 C +ANISOU 361 C GLN A 59 2344 1956 2115 591 -58 -76 C +ATOM 362 O GLN A 59 -13.421 7.525 -12.653 1.00 17.86 O +ANISOU 362 O GLN A 59 2601 1885 2298 612 396 142 O +ATOM 363 CB AGLN A 59 -13.613 10.255 -14.540 0.50 22.46 C +ANISOU 363 CB AGLN A 59 2962 2877 2694 -112 623 422 C +ATOM 364 CB BGLN A 59 -13.555 10.336 -14.412 0.50 21.05 C +ANISOU 364 CB BGLN A 59 2646 2601 2749 -85 479 215 C +ATOM 365 CG AGLN A 59 -13.878 10.422 -16.025 0.50 27.61 C +ANISOU 365 CG AGLN A 59 3793 4098 2599 -358 861 -7 C +ATOM 366 CG BGLN A 59 -13.759 10.778 -15.854 0.50 25.33 C +ANISOU 366 CG BGLN A 59 3674 3139 2809 -125 146 -7 C +ATOM 367 CD AGLN A 59 -13.336 9.251 -16.816 0.50 33.08 C +ANISOU 367 CD AGLN A 59 4991 4549 3028 42 594 -633 C +ATOM 368 CD BGLN A 59 -12.461 11.274 -16.472 0.50 30.06 C +ANISOU 368 CD BGLN A 59 4121 3463 3838 -527 706 -262 C +ATOM 369 OE1AGLN A 59 -12.158 9.222 -17.163 0.50 39.26 O +ANISOU 369 OE1AGLN A 59 5124 5515 4276 235 781 -1721 O +ATOM 370 OE1BGLN A 59 -11.679 11.971 -15.820 0.50 35.52 O +ANISOU 370 OE1BGLN A 59 5006 4224 4265 -500 -331 -352 O +ATOM 371 NE2AGLN A 59 -14.189 8.274 -17.096 0.50 35.18 N +ANISOU 371 NE2AGLN A 59 4693 5743 2930 -347 886 -641 N +ATOM 372 NE2BGLN A 59 -12.219 10.908 -17.728 0.50 31.89 N +ANISOU 372 NE2BGLN A 59 4543 3794 3777 400 -1077 -1160 N +ATOM 373 N TYR A 60 -14.111 9.349 -11.517 1.00 16.08 N +ANISOU 373 N TYR A 60 2232 2124 1753 306 63 51 N +ATOM 374 CA TYR A 60 -13.626 8.859 -10.232 1.00 14.67 C +ANISOU 374 CA TYR A 60 1945 1832 1794 259 -207 -170 C +ATOM 375 C TYR A 60 -14.342 7.568 -9.804 1.00 16.46 C +ANISOU 375 C TYR A 60 1931 1926 2396 471 -272 136 C +ATOM 376 O TYR A 60 -13.697 6.572 -9.389 1.00 16.83 O +ANISOU 376 O TYR A 60 2274 2089 2031 587 -375 205 O +ATOM 377 CB TYR A 60 -13.809 9.966 -9.211 1.00 14.37 C +ANISOU 377 CB TYR A 60 2128 1362 1969 397 -482 -92 C +ATOM 378 CG TYR A 60 -13.387 9.609 -7.799 1.00 15.32 C +ANISOU 378 CG TYR A 60 1927 1769 2122 549 -480 183 C +ATOM 379 CD1 TYR A 60 -12.071 9.792 -7.383 1.00 15.79 C +ANISOU 379 CD1 TYR A 60 1841 1867 2290 430 -428 156 C +ATOM 380 CD2 TYR A 60 -14.314 9.102 -6.870 1.00 16.61 C +ANISOU 380 CD2 TYR A 60 2314 1742 2255 594 -310 266 C +ATOM 381 CE1 TYR A 60 -11.672 9.489 -6.075 1.00 16.07 C +ANISOU 381 CE1 TYR A 60 1954 1810 2339 154 -661 181 C +ATOM 382 CE2 TYR A 60 -13.924 8.789 -5.567 1.00 17.80 C +ANISOU 382 CE2 TYR A 60 2249 2078 2433 401 -767 172 C +ATOM 383 CZ TYR A 60 -12.595 8.982 -5.180 1.00 17.14 C +ANISOU 383 CZ TYR A 60 2164 1858 2491 151 -575 -16 C +ATOM 384 OH TYR A 60 -12.199 8.670 -3.896 1.00 19.94 O +ANISOU 384 OH TYR A 60 2251 2282 3040 28 -1042 260 O +ATOM 385 N ILE A 61 -15.674 7.569 -9.915 1.00 14.03 N +ANISOU 385 N ILE A 61 1777 1593 1957 175 -98 29 N +ATOM 386 CA ILE A 61 -16.456 6.356 -9.618 1.00 12.84 C +ANISOU 386 CA ILE A 61 1641 1440 1796 285 -317 9 C +ATOM 387 C ILE A 61 -16.059 5.165 -10.485 1.00 15.20 C +ANISOU 387 C ILE A 61 2313 1563 1899 405 -125 -11 C +ATOM 388 O ILE A 61 -15.937 4.027 -10.009 1.00 18.05 O +ANISOU 388 O ILE A 61 2814 1904 2137 800 -235 256 O +ATOM 389 CB ILE A 61 -17.969 6.691 -9.788 1.00 13.26 C +ANISOU 389 CB ILE A 61 1530 1412 2096 316 -242 -12 C +ATOM 390 CG1 ILE A 61 -18.430 7.590 -8.639 1.00 15.01 C +ANISOU 390 CG1 ILE A 61 2017 1437 2247 617 -196 29 C +ATOM 391 CG2 ILE A 61 -18.851 5.432 -9.960 1.00 14.62 C +ANISOU 391 CG2 ILE A 61 2056 1471 2028 90 -241 185 C +ATOM 392 CD1 ILE A 61 -19.742 8.318 -8.929 1.00 14.67 C +ANISOU 392 CD1 ILE A 61 1773 1715 2087 648 204 201 C +ATOM 393 N MET A 62 -15.818 5.407 -11.764 1.00 16.49 N +ANISOU 393 N MET A 62 2466 1834 1964 274 -33 -308 N +ATOM 394 CA MET A 62 -15.409 4.306 -12.649 1.00 16.93 C +ANISOU 394 CA MET A 62 2717 1896 1817 785 203 -91 C +ATOM 395 C MET A 62 -14.000 3.792 -12.353 1.00 19.20 C +ANISOU 395 C MET A 62 2879 1753 2664 928 101 -189 C +ATOM 396 O MET A 62 -13.768 2.577 -12.364 1.00 24.13 O +ANISOU 396 O MET A 62 3851 1797 3518 1257 -183 -228 O +ATOM 397 CB MET A 62 -15.533 4.726 -14.136 1.00 18.01 C +ANISOU 397 CB MET A 62 2898 2115 1828 955 -102 -109 C +ATOM 398 CG MET A 62 -16.932 5.133 -14.589 1.00 19.50 C +ANISOU 398 CG MET A 62 2893 1847 2666 363 -573 161 C +ATOM 399 SD MET A 62 -18.184 3.903 -14.223 1.00 22.09 S +ANISOU 399 SD MET A 62 3149 2313 2930 189 4 -46 S +ATOM 400 CE MET A 62 -17.679 2.577 -15.326 1.00 27.05 C +ANISOU 400 CE MET A 62 4079 2362 3835 -901 -616 -1322 C +ATOM 401 N THR A 63 -13.067 4.717 -12.093 1.00 20.09 N +ANISOU 401 N THR A 63 2461 2210 2961 791 117 29 N +ATOM 402 CA THR A 63 -11.663 4.405 -11.797 1.00 23.17 C +ANISOU 402 CA THR A 63 2864 2302 3635 1066 -275 453 C +ATOM 403 C THR A 63 -11.544 3.603 -10.508 1.00 23.62 C +ANISOU 403 C THR A 63 3217 2441 3313 1198 -106 278 C +ATOM 404 O THR A 63 -10.791 2.621 -10.455 1.00 27.28 O +ANISOU 404 O THR A 63 3342 2841 4181 1525 43 550 O +ATOM 405 CB THR A 63 -10.803 5.704 -11.716 1.00 25.07 C +ANISOU 405 CB THR A 63 2627 3021 3877 483 -254 360 C +ATOM 406 OG1 THR A 63 -10.809 6.342 -12.998 1.00 29.29 O +ANISOU 406 OG1 THR A 63 3226 3413 4489 -41 174 668 O +ATOM 407 CG2 THR A 63 -9.360 5.423 -11.332 1.00 32.50 C +ANISOU 407 CG2 THR A 63 2955 3674 5718 995 -330 758 C +ATOM 408 N LYS A 64 -12.298 3.998 -9.484 1.00 22.91 N +ANISOU 408 N LYS A 64 2718 2620 3365 632 33 397 N +ATOM 409 CA LYS A 64 -12.250 3.308 -8.193 1.00 22.69 C +ANISOU 409 CA LYS A 64 2380 2604 3634 919 -535 474 C +ATOM 410 C LYS A 64 -13.254 2.155 -8.085 1.00 24.11 C +ANISOU 410 C LYS A 64 3415 2239 3507 629 -428 161 C +ATOM 411 O LYS A 64 -13.351 1.489 -7.033 1.00 23.48 O +ANISOU 411 O LYS A 64 3096 2146 3677 853 -300 427 O +ATOM 412 CB LYS A 64 -12.454 4.288 -7.044 1.00 24.23 C +ANISOU 412 CB LYS A 64 2669 2629 3905 482 -786 213 C +ATOM 413 CG LYS A 64 -11.319 5.278 -6.906 1.00 27.70 C +ANISOU 413 CG LYS A 64 3098 3089 4336 -65 -391 22 C +ATOM 414 CD LYS A 64 -11.369 5.913 -5.546 1.00 30.06 C +ANISOU 414 CD LYS A 64 3760 3493 4168 452 -1117 -35 C +ATOM 415 CE LYS A 64 -10.432 5.268 -4.549 1.00 30.71 C +ANISOU 415 CE LYS A 64 2683 3977 5008 1332 -890 -508 C +ATOM 416 NZ LYS A 64 -10.377 6.203 -3.384 1.00 30.44 N +ANISOU 416 NZ LYS A 64 2493 3995 5078 520 -929 -638 N +ATOM 417 N ARG A 65 -13.981 1.919 -9.168 1.00 20.28 N +ANISOU 417 N ARG A 65 2992 1980 2733 848 94 -3 N +ATOM 418 CA ARG A 65 -14.936 0.795 -9.240 1.00 23.07 C +ANISOU 418 CA ARG A 65 3978 1821 2963 826 45 -149 C +ATOM 419 C ARG A 65 -15.971 0.846 -8.101 1.00 21.86 C +ANISOU 419 C ARG A 65 3539 1844 2921 1158 -206 184 C +ATOM 420 O ARG A 65 -16.259 -0.158 -7.454 1.00 22.60 O +ANISOU 420 O ARG A 65 3718 1970 2897 767 -105 90 O +ATOM 421 CB ARG A 65 -14.188 -0.565 -9.310 1.00 26.46 C +ANISOU 421 CB ARG A 65 3971 2171 3910 1174 384 149 C +ATOM 422 CG ARG A 65 -13.310 -0.709 -10.552 1.00 31.62 C +ANISOU 422 CG ARG A 65 4639 2847 4526 1238 772 -690 C +ATOM 423 CD ARG A 65 -13.025 -2.172 -10.861 0.50 34.39 C +ANISOU 423 CD ARG A 65 5260 3522 4284 2382 883 -1168 C +ATOM 424 NE ARG A 65 -11.811 -2.646 -10.210 0.50 48.05 N +ANISOU 424 NE ARG A 65 5670 5163 7422 1175 -1062 -782 N +ATOM 425 CZ ARG A 65 -11.370 -3.899 -10.287 0.50 52.27 C +ANISOU 425 CZ ARG A 65 7271 5508 7080 1789 -703 -1399 C +ATOM 426 NH1 ARG A 65 -12.053 -4.800 -10.981 0.50 53.80 N +ANISOU 426 NH1 ARG A 65 6732 4659 9047 723 -622 -362 N +ATOM 427 NH2 ARG A 65 -10.253 -4.252 -9.669 0.50 57.07 N +ANISOU 427 NH2 ARG A 65 7837 5859 7987 420 -2027 -733 N +ATOM 428 N LEU A 66 -16.568 2.026 -7.899 1.00 19.58 N +ANISOU 428 N LEU A 66 3316 1729 2393 859 -282 -39 N +ATOM 429 CA LEU A 66 -17.564 2.217 -6.852 1.00 15.96 C +ANISOU 429 CA LEU A 66 2596 1459 2009 525 -547 -341 C +ATOM 430 C LEU A 66 -18.941 1.808 -7.371 1.00 17.95 C +ANISOU 430 C LEU A 66 2784 2281 1754 543 -954 -39 C +ATOM 431 O LEU A 66 -19.939 1.920 -6.663 1.00 21.37 O +ANISOU 431 O LEU A 66 2939 2809 2369 -176 -674 -980 O +ATOM 432 CB LEU A 66 -17.580 3.691 -6.334 1.00 16.49 C +ANISOU 432 CB LEU A 66 2614 1161 2487 32 -766 25 C +ATOM 433 CG LEU A 66 -16.209 4.221 -5.858 1.00 16.00 C +ANISOU 433 CG LEU A 66 2440 1496 2141 214 -885 88 C +ATOM 434 CD1 LEU A 66 -16.339 5.660 -5.345 1.00 18.27 C +ANISOU 434 CD1 LEU A 66 2952 1914 2074 446 -479 -351 C +ATOM 435 CD2 LEU A 66 -15.674 3.276 -4.787 1.00 17.28 C +ANISOU 435 CD2 LEU A 66 2456 1631 2475 641 -914 72 C +ATOM 436 N TYR A 67 -18.996 1.400 -8.641 1.00 20.02 N +ANISOU 436 N TYR A 67 3142 2087 2375 659 -1008 -912 N +ATOM 437 CA TYR A 67 -20.209 0.799 -9.227 1.00 20.32 C +ANISOU 437 CA TYR A 67 3519 1937 2263 -104 -671 -478 C +ATOM 438 C TYR A 67 -20.465 -0.660 -8.739 1.00 21.05 C +ANISOU 438 C TYR A 67 3371 1913 2714 516 -686 -211 C +ATOM 439 O TYR A 67 -19.565 -1.302 -8.178 1.00 26.68 O +ANISOU 439 O TYR A 67 4605 2252 3279 1189 -1428 -832 O +ATOM 440 CB TYR A 67 -20.136 0.891 -10.757 1.00 20.67 C +ANISOU 440 CB TYR A 67 3548 1916 2390 663 -798 -199 C +ATOM 441 CG TYR A 67 -18.927 0.229 -11.390 1.00 22.02 C +ANISOU 441 CG TYR A 67 3598 2236 2531 794 -1081 -177 C +ATOM 442 CD1 TYR A 67 -18.889 -1.158 -11.571 1.00 22.55 C +ANISOU 442 CD1 TYR A 67 3062 2226 3279 1180 -1155 -750 C +ATOM 443 CD2 TYR A 67 -17.853 0.977 -11.841 1.00 24.01 C +ANISOU 443 CD2 TYR A 67 3562 2523 3037 730 -450 2 C +ATOM 444 CE1 TYR A 67 -17.804 -1.777 -12.158 1.00 26.76 C +ANISOU 444 CE1 TYR A 67 3576 3301 3290 631 -822 -1900 C +ATOM 445 CE2 TYR A 67 -16.749 0.355 -12.443 1.00 31.02 C +ANISOU 445 CE2 TYR A 67 4358 2974 4454 689 148 -719 C +ATOM 446 CZ TYR A 67 -16.744 -1.021 -12.604 1.00 26.64 C +ANISOU 446 CZ TYR A 67 3962 2826 3333 1129 -376 -471 C +ATOM 447 OH TYR A 67 -15.684 -1.695 -13.181 1.00 33.31 O +ANISOU 447 OH TYR A 67 4358 4941 3355 1515 -567 -968 O +ATOM 448 N ASP A 68 -21.681 -1.176 -8.977 1.00 23.68 N +ANISOU 448 N ASP A 68 4166 1926 2902 115 -975 -441 N +ATOM 449 CA ASP A 68 -22.049 -2.567 -8.656 1.00 26.24 C +ANISOU 449 CA ASP A 68 4985 2171 2813 -127 -609 -260 C +ATOM 450 C ASP A 68 -22.565 -3.220 -9.909 1.00 21.14 C +ANISOU 450 C ASP A 68 4024 1487 2519 487 -390 -315 C +ATOM 451 O ASP A 68 -23.507 -2.711 -10.473 1.00 23.87 O +ANISOU 451 O ASP A 68 3685 2105 3279 701 -648 -803 O +ATOM 452 CB ASP A 68 -23.194 -2.643 -7.624 1.00 27.35 C +ANISOU 452 CB ASP A 68 5136 2699 2556 612 -643 -34 C +ATOM 453 CG ASP A 68 -23.656 -4.095 -7.381 1.00 28.91 C +ANISOU 453 CG ASP A 68 4378 3680 2924 167 -172 1498 C +ATOM 454 OD1 ASP A 68 -22.810 -4.920 -6.969 0.50 29.10 O +ANISOU 454 OD1 ASP A 68 6490 2135 2429 1394 1085 1135 O +ATOM 455 OD2 ASP A 68 -24.843 -4.431 -7.596 0.50 31.73 O +ANISOU 455 OD2 ASP A 68 5345 2281 4428 -910 -1486 554 O +ATOM 456 N ALA A 69 -21.973 -4.334 -10.356 1.00 20.92 N +ANISOU 456 N ALA A 69 4309 1504 2136 325 -208 -234 N +ATOM 457 CA ALA A 69 -22.403 -4.944 -11.636 1.00 22.12 C +ANISOU 457 CA ALA A 69 4228 1638 2537 587 -232 -843 C +ATOM 458 C ALA A 69 -23.878 -5.384 -11.702 1.00 24.70 C +ANISOU 458 C ALA A 69 4382 2144 2858 600 -430 -374 C +ATOM 459 O ALA A 69 -24.543 -5.262 -12.775 1.00 29.92 O +ANISOU 459 O ALA A 69 5421 2941 3004 -389 -770 -462 O +ATOM 460 CB ALA A 69 -21.497 -6.123 -11.976 1.00 27.17 C +ANISOU 460 CB ALA A 69 4281 2370 3671 913 323 -1072 C +ATOM 461 N ALA A 70 -24.398 -5.900 -10.584 1.00 26.18 N +ANISOU 461 N ALA A 70 4615 1549 3783 77 737 -867 N +ATOM 462 CA ALA A 70 -25.763 -6.488 -10.600 1.00 23.96 C +ANISOU 462 CA ALA A 70 4699 2160 2245 -41 -730 -170 C +ATOM 463 C ALA A 70 -26.882 -5.450 -10.470 1.00 24.64 C +ANISOU 463 C ALA A 70 4618 2860 1883 226 -639 -169 C +ATOM 464 O ALA A 70 -27.924 -5.597 -11.104 1.00 31.81 O +ANISOU 464 O ALA A 70 5009 3496 3582 528 -977 -1001 O +ATOM 465 CB ALA A 70 -25.901 -7.587 -9.548 1.00 28.26 C +ANISOU 465 CB ALA A 70 4670 2837 3230 -57 241 504 C +ATOM 466 N GLN A 71 -26.648 -4.397 -9.679 1.00 27.52 N +ANISOU 466 N GLN A 71 5126 1746 3584 -307 1023 -144 N +ATOM 467 CA GLN A 71 -27.596 -3.313 -9.530 1.00 23.82 C +ANISOU 467 CA GLN A 71 3924 2035 3090 -391 -363 -180 C +ATOM 468 C GLN A 71 -26.814 -2.001 -9.779 1.00 21.82 C +ANISOU 468 C GLN A 71 4194 1619 2478 51 -312 293 C +ATOM 469 O GLN A 71 -26.339 -1.283 -8.854 1.00 21.85 O +ANISOU 469 O GLN A 71 3917 2424 1960 143 -185 272 O +ATOM 470 CB GLN A 71 -28.248 -3.349 -8.142 1.00 34.25 C +ANISOU 470 CB GLN A 71 5823 3563 3626 560 606 -461 C +ATOM 471 CG GLN A 71 -29.470 -2.440 -7.994 1.00 27.96 C +ANISOU 471 CG GLN A 71 4805 2594 3224 -446 593 -199 C +ATOM 472 CD GLN A 71 -30.317 -2.816 -6.787 1.00 36.46 C +ANISOU 472 CD GLN A 71 4884 5458 3509 -1300 -11 1338 C +ATOM 473 OE1 GLN A 71 -31.549 -2.749 -6.838 1.00 39.21 O +ANISOU 473 OE1 GLN A 71 4770 5783 4345 -292 -139 -29 O +ATOM 474 NE2 GLN A 71 -29.660 -3.206 -5.694 1.00 27.43 N +ANISOU 474 NE2 GLN A 71 3592 2979 3850 -892 -538 -149 N +ATOM 475 N GLN A 72 -26.679 -1.712 -11.064 1.00 18.12 N +ANISOU 475 N GLN A 72 3284 1375 2224 -29 -210 -122 N +ATOM 476 CA GLN A 72 -25.805 -0.675 -11.530 1.00 20.42 C +ANISOU 476 CA GLN A 72 4170 1572 2015 -461 -165 -435 C +ATOM 477 C GLN A 72 -26.204 0.718 -11.130 1.00 18.32 C +ANISOU 477 C GLN A 72 3137 1653 2168 -236 -474 -528 C +ATOM 478 O GLN A 72 -25.353 1.620 -11.166 1.00 18.89 O +ANISOU 478 O GLN A 72 3258 1789 2129 -378 -712 -220 O +ATOM 479 CB GLN A 72 -25.806 -0.725 -13.052 1.00 20.88 C +ANISOU 479 CB GLN A 72 3650 2365 1915 -214 -290 -757 C +ATOM 480 CG GLN A 72 -24.930 -1.823 -13.491 1.00 27.09 C +ANISOU 480 CG GLN A 72 4169 4069 2055 542 -238 -1078 C +ATOM 481 CD GLN A 72 -24.862 -1.876 -14.986 1.00 20.01 C +ANISOU 481 CD GLN A 72 2677 3060 1867 408 -744 -451 C +ATOM 482 OE1 GLN A 72 -24.706 -0.850 -15.682 1.00 18.80 O +ANISOU 482 OE1 GLN A 72 2202 2994 1945 683 -620 -561 O +ATOM 483 NE2 GLN A 72 -24.962 -3.062 -15.480 1.00 20.84 N +ANISOU 483 NE2 GLN A 72 2295 2931 2692 -263 -177 -371 N +ATOM 484 N HIS A 73 -27.467 0.898 -10.733 1.00 17.02 N +ANISOU 484 N HIS A 73 3161 1443 1862 -158 -859 -393 N +ATOM 485 CA HIS A 73 -27.967 2.238 -10.419 1.00 16.27 C +ANISOU 485 CA HIS A 73 2652 1468 2059 -46 -935 -206 C +ATOM 486 C HIS A 73 -27.558 2.762 -9.071 1.00 14.57 C +ANISOU 486 C HIS A 73 2313 1411 1811 -132 -746 82 C +ATOM 487 O HIS A 73 -27.869 3.912 -8.748 1.00 15.51 O +ANISOU 487 O HIS A 73 2853 1455 1583 -137 -796 3 O +ATOM 488 CB HIS A 73 -29.494 2.352 -10.637 1.00 20.23 C +ANISOU 488 CB HIS A 73 2566 2588 2532 -326 -986 -1 C +ATOM 489 CG HIS A 73 -30.325 1.984 -9.435 1.00 18.02 C +ANISOU 489 CG HIS A 73 2817 1764 2263 -623 -967 -586 C +ATOM 490 ND1 HIS A 73 -30.735 0.701 -9.187 1.00 22.87 N +ANISOU 490 ND1 HIS A 73 3261 2164 3264 -968 -239 -350 N +ATOM 491 CD2 HIS A 73 -30.843 2.773 -8.405 1.00 16.23 C +ANISOU 491 CD2 HIS A 73 2448 1822 1894 -349 -640 -13 C +ATOM 492 CE1 HIS A 73 -31.467 0.686 -8.050 1.00 25.89 C +ANISOU 492 CE1 HIS A 73 3474 2759 3602 -874 -102 -262 C +ATOM 493 NE2 HIS A 73 -31.521 1.954 -7.567 1.00 23.21 N +ANISOU 493 NE2 HIS A 73 3345 2201 3271 -821 -304 300 N +ATOM 494 N ILE A 74 -26.862 1.941 -8.274 1.00 13.68 N +ANISOU 494 N ILE A 74 2425 1315 1456 -85 -778 -49 N +ATOM 495 CA ILE A 74 -26.412 2.372 -6.920 1.00 13.35 C +ANISOU 495 CA ILE A 74 2553 941 1578 19 -726 -234 C +ATOM 496 C ILE A 74 -24.900 2.455 -6.887 1.00 14.64 C +ANISOU 496 C ILE A 74 2657 1338 1565 78 -613 -47 C +ATOM 497 O ILE A 74 -24.221 1.482 -7.265 1.00 16.13 O +ANISOU 497 O ILE A 74 2519 1609 1998 207 -519 -303 O +ATOM 498 CB ILE A 74 -26.932 1.435 -5.803 1.00 14.77 C +ANISOU 498 CB ILE A 74 2485 1520 1607 -93 -774 -118 C +ATOM 499 CG1 ILE A 74 -28.469 1.325 -5.878 1.00 17.92 C +ANISOU 499 CG1 ILE A 74 2570 1774 2464 -126 -164 131 C +ATOM 500 CG2 ILE A 74 -26.420 1.885 -4.443 1.00 14.95 C +ANISOU 500 CG2 ILE A 74 2842 1342 1494 132 -694 -74 C +ATOM 501 CD1 ILE A 74 -29.062 0.269 -4.976 1.00 24.06 C +ANISOU 501 CD1 ILE A 74 3516 2583 3040 -1192 -292 381 C +ATOM 502 N VAL A 75 -24.381 3.606 -6.462 1.00 14.11 N +ANISOU 502 N VAL A 75 2287 1496 1577 -138 -576 233 N +ATOM 503 CA VAL A 75 -22.950 3.793 -6.231 1.00 13.66 C +ANISOU 503 CA VAL A 75 2165 1437 1586 -30 -588 47 C +ATOM 504 C VAL A 75 -22.680 3.519 -4.756 1.00 13.20 C +ANISOU 504 C VAL A 75 2053 1251 1709 379 -561 -61 C +ATOM 505 O VAL A 75 -23.403 4.006 -3.892 1.00 15.17 O +ANISOU 505 O VAL A 75 2698 1562 1503 325 -443 -101 O +ATOM 506 CB VAL A 75 -22.533 5.239 -6.620 1.00 15.13 C +ANISOU 506 CB VAL A 75 2349 1846 1554 -417 -529 246 C +ATOM 507 CG1 VAL A 75 -21.123 5.558 -6.112 1.00 15.29 C +ANISOU 507 CG1 VAL A 75 2219 1739 1851 -234 -687 208 C +ATOM 508 CG2 VAL A 75 -22.655 5.435 -8.141 1.00 18.88 C +ANISOU 508 CG2 VAL A 75 2591 3076 1504 -163 -784 177 C +ATOM 509 N TYR A 76 -21.638 2.734 -4.494 1.00 11.99 N +ANISOU 509 N TYR A 76 2133 1031 1391 302 -983 69 N +ATOM 510 CA TYR A 76 -21.221 2.385 -3.156 1.00 11.81 C +ANISOU 510 CA TYR A 76 2292 972 1220 114 -825 -49 C +ATOM 511 C TYR A 76 -19.930 3.112 -2.789 1.00 14.91 C +ANISOU 511 C TYR A 76 2316 1416 1933 23 -613 -69 C +ATOM 512 O TYR A 76 -18.860 2.823 -3.347 1.00 18.23 O +ANISOU 512 O TYR A 76 2400 2319 2204 -18 -341 -452 O +ATOM 513 CB TYR A 76 -21.059 0.852 -3.093 1.00 15.72 C +ANISOU 513 CB TYR A 76 2802 979 2190 131 -865 130 C +ATOM 514 CG TYR A 76 -22.388 0.162 -3.225 1.00 16.34 C +ANISOU 514 CG TYR A 76 2921 1369 1919 77 -694 -161 C +ATOM 515 CD1 TYR A 76 -22.895 -0.212 -4.484 1.00 17.33 C +ANISOU 515 CD1 TYR A 76 2951 1246 2386 194 -1111 -334 C +ATOM 516 CD2 TYR A 76 -23.188 -0.039 -2.099 1.00 17.43 C +ANISOU 516 CD2 TYR A 76 2808 1571 2243 268 -586 253 C +ATOM 517 CE1 TYR A 76 -24.127 -0.820 -4.585 1.00 18.07 C +ANISOU 517 CE1 TYR A 76 2918 1221 2727 175 -491 -183 C +ATOM 518 CE2 TYR A 76 -24.432 -0.639 -2.198 1.00 18.56 C +ANISOU 518 CE2 TYR A 76 3010 1598 2443 100 -514 -270 C +ATOM 519 CZ TYR A 76 -24.912 -0.981 -3.440 1.00 17.70 C +ANISOU 519 CZ TYR A 76 3260 984 2478 -375 -675 -125 C +ATOM 520 OH TYR A 76 -26.158 -1.565 -3.537 1.00 20.37 O +ANISOU 520 OH TYR A 76 3070 1413 3255 -198 -1464 -368 O +ATOM 521 N CYS A 77 -20.028 4.040 -1.841 1.00 15.82 N +ANISOU 521 N CYS A 77 2615 1517 1878 -184 -714 -94 N +ATOM 522 CA CYS A 77 -18.931 4.955 -1.533 1.00 14.86 C +ANISOU 522 CA CYS A 77 2364 1342 1937 4 -575 -221 C +ATOM 523 C CYS A 77 -18.537 4.960 -0.053 1.00 16.39 C +ANISOU 523 C CYS A 77 2710 1456 2060 -54 -694 -73 C +ATOM 524 O CYS A 77 -17.921 5.914 0.414 1.00 18.38 O +ANISOU 524 O CYS A 77 2971 1266 2744 126 -1071 -304 O +ATOM 525 CB CYS A 77 -19.265 6.370 -2.027 1.00 15.87 C +ANISOU 525 CB CYS A 77 2293 1598 2138 -134 -694 167 C +ATOM 526 SG CYS A 77 -20.893 6.969 -1.532 1.00 16.49 S +ANISOU 526 SG CYS A 77 2678 1571 2014 -122 -466 93 S +ATOM 527 N SER A 78 -18.871 3.893 0.677 1.00 17.72 N +ANISOU 527 N SER A 78 3275 1428 2026 113 -673 16 N +ATOM 528 CA ASER A 78 -18.465 3.780 2.073 0.50 20.01 C +ANISOU 528 CA ASER A 78 3718 1592 2290 -310 -1099 228 C +ATOM 529 CA BSER A 78 -18.467 3.737 2.079 0.50 20.73 C +ANISOU 529 CA BSER A 78 3733 1783 2359 -345 -1170 341 C +ATOM 530 C SER A 78 -16.934 3.634 2.138 1.00 22.15 C +ANISOU 530 C SER A 78 3850 1847 2717 -20 -1014 278 C +ATOM 531 O SER A 78 -16.298 3.086 1.211 1.00 27.74 O +ANISOU 531 O SER A 78 3617 2681 4241 642 -574 245 O +ATOM 532 CB ASER A 78 -19.146 2.573 2.703 0.50 22.23 C +ANISOU 532 CB ASER A 78 4755 2262 1427 -763 -1300 520 C +ATOM 533 CB BSER A 78 -19.141 2.494 2.702 0.50 26.68 C +ANISOU 533 CB BSER A 78 4930 2324 2880 -976 -1477 787 C +ATOM 534 OG ASER A 78 -18.658 1.427 2.060 0.50 23.99 O +ANISOU 534 OG ASER A 78 3852 1605 3657 -672 -954 862 O +ATOM 535 OG BSER A 78 -19.215 2.576 4.123 0.50 29.11 O +ANISOU 535 OG BSER A 78 4423 3762 2872 -848 -1838 1860 O +ATOM 536 N ASN A 79 -16.324 4.145 3.198 1.00 24.79 N +ANISOU 536 N ASN A 79 4076 2690 2651 -445 -1348 1043 N +ATOM 537 CA ASN A 79 -14.856 4.069 3.314 1.00 26.09 C +ANISOU 537 CA ASN A 79 4008 2834 3069 127 -1118 626 C +ATOM 538 C ASN A 79 -14.099 4.685 2.136 1.00 27.24 C +ANISOU 538 C ASN A 79 4063 2723 3562 455 -1022 1190 C +ATOM 539 O ASN A 79 -13.000 4.238 1.774 1.00 28.62 O +ANISOU 539 O ASN A 79 4290 2735 3850 450 -681 1801 O +ATOM 540 CB ASN A 79 -14.418 2.617 3.499 1.00 29.79 C +ANISOU 540 CB ASN A 79 4166 3091 4059 152 -878 1557 C +ATOM 541 CG ASN A 79 -14.801 2.069 4.856 1.00 32.67 C +ANISOU 541 CG ASN A 79 4718 4131 3565 609 -640 1133 C +ATOM 542 OD1 ASN A 79 -14.939 0.869 5.023 1.00 38.45 O +ANISOU 542 OD1 ASN A 79 5561 4109 4939 328 372 670 O +ATOM 543 ND2 ASN A 79 -14.983 2.957 5.834 1.00 38.42 N +ANISOU 543 ND2 ASN A 79 6733 4376 3487 -1012 -863 682 N +ATOM 544 N ASP A 80 -14.712 5.690 1.519 1.00 22.58 N +ANISOU 544 N ASP A 80 3879 1766 2932 278 -562 692 N +ATOM 545 CA ASP A 80 -14.081 6.437 0.446 1.00 19.78 C +ANISOU 545 CA ASP A 80 2797 1937 2779 -53 -1014 688 C +ATOM 546 C ASP A 80 -14.285 7.924 0.710 1.00 19.05 C +ANISOU 546 C ASP A 80 2710 2127 2399 257 -917 508 C +ATOM 547 O ASP A 80 -15.301 8.324 1.308 1.00 18.93 O +ANISOU 547 O ASP A 80 2662 1808 2721 333 -996 533 O +ATOM 548 CB ASP A 80 -14.696 6.041 -0.896 1.00 20.37 C +ANISOU 548 CB ASP A 80 2918 2198 2623 -87 -528 212 C +ATOM 549 CG ASP A 80 -13.897 6.577 -2.080 1.00 21.34 C +ANISOU 549 CG ASP A 80 3104 2099 2904 260 -332 319 C +ATOM 550 OD1 ASP A 80 -13.058 5.828 -2.599 1.00 23.73 O +ANISOU 550 OD1 ASP A 80 2848 2586 3582 614 31 658 O +ATOM 551 OD2 ASP A 80 -14.088 7.747 -2.454 1.00 21.93 O +ANISOU 551 OD2 ASP A 80 3127 2293 2910 265 -783 654 O +ATOM 552 N LEU A 81 -13.326 8.746 0.289 1.00 19.99 N +ANISOU 552 N LEU A 81 2877 1754 2964 39 -1287 653 N +ATOM 553 CA LEU A 81 -13.499 10.214 0.393 1.00 20.55 C +ANISOU 553 CA LEU A 81 2669 1805 3332 -12 -1143 656 C +ATOM 554 C LEU A 81 -14.852 10.651 -0.139 1.00 17.26 C +ANISOU 554 C LEU A 81 2379 1957 2220 -50 -732 169 C +ATOM 555 O LEU A 81 -15.494 11.509 0.445 1.00 18.28 O +ANISOU 555 O LEU A 81 2154 1892 2898 148 -851 291 O +ATOM 556 CB LEU A 81 -12.389 10.975 -0.352 1.00 21.57 C +ANISOU 556 CB LEU A 81 1940 2095 4160 54 -722 472 C +ATOM 557 CG LEU A 81 -12.421 12.518 -0.302 1.00 24.33 C +ANISOU 557 CG LEU A 81 2770 2204 4268 389 -726 701 C +ATOM 558 CD1 LEU A 81 -12.406 13.031 1.119 1.00 26.74 C +ANISOU 558 CD1 LEU A 81 3220 2517 4420 -4 -1081 -305 C +ATOM 559 CD2 LEU A 81 -11.242 13.088 -1.055 1.00 28.45 C +ANISOU 559 CD2 LEU A 81 2151 3186 5472 342 -527 598 C +ATOM 560 N LEU A 82 -15.302 10.026 -1.223 1.00 14.83 N +ANISOU 560 N LEU A 82 1952 1383 2298 -4 -883 202 N +ATOM 561 CA LEU A 82 -16.596 10.436 -1.818 1.00 14.98 C +ANISOU 561 CA LEU A 82 2028 1492 2169 89 -873 192 C +ATOM 562 C LEU A 82 -17.738 10.280 -0.820 1.00 15.04 C +ANISOU 562 C LEU A 82 2382 1424 1906 70 -701 201 C +ATOM 563 O LEU A 82 -18.598 11.164 -0.707 1.00 15.06 O +ANISOU 563 O LEU A 82 2302 1543 1873 114 -865 -14 O +ATOM 564 CB LEU A 82 -16.912 9.658 -3.108 1.00 12.91 C +ANISOU 564 CB LEU A 82 1548 1646 1708 143 -626 284 C +ATOM 565 CG LEU A 82 -18.230 10.005 -3.793 1.00 13.76 C +ANISOU 565 CG LEU A 82 1851 1427 1949 354 -809 287 C +ATOM 566 CD1 LEU A 82 -18.331 11.492 -4.103 1.00 14.36 C +ANISOU 566 CD1 LEU A 82 2235 1473 1748 445 -233 475 C +ATOM 567 CD2 LEU A 82 -18.438 9.158 -5.033 1.00 18.48 C +ANISOU 567 CD2 LEU A 82 2735 2224 2060 272 -408 -223 C +ATOM 568 N GLY A 83 -17.770 9.150 -0.111 1.00 14.64 N +ANISOU 568 N GLY A 83 2376 1548 1636 -82 -812 260 N +ATOM 569 CA GLY A 83 -18.803 8.969 0.942 1.00 16.19 C +ANISOU 569 CA GLY A 83 2778 1321 2050 -75 -374 20 C +ATOM 570 C GLY A 83 -18.697 9.963 2.096 1.00 17.03 C +ANISOU 570 C GLY A 83 2719 1787 1965 -40 -733 -58 C +ATOM 571 O GLY A 83 -19.717 10.415 2.621 1.00 17.32 O +ANISOU 571 O GLY A 83 2939 1704 1935 10 -558 -123 O +ATOM 572 N ASP A 84 -17.483 10.345 2.481 1.00 15.65 N +ANISOU 572 N ASP A 84 2870 1354 1721 162 -1016 233 N +ATOM 573 CA ASP A 84 -17.344 11.371 3.537 1.00 17.85 C +ANISOU 573 CA ASP A 84 3044 1408 2328 -64 -1349 34 C +ATOM 574 C ASP A 84 -17.897 12.720 3.055 1.00 17.36 C +ANISOU 574 C ASP A 84 2853 1786 1955 284 -761 277 C +ATOM 575 O ASP A 84 -18.555 13.442 3.812 1.00 19.45 O +ANISOU 575 O ASP A 84 3341 1998 2050 232 -749 -203 O +ATOM 576 CB ASP A 84 -15.879 11.530 3.981 1.00 20.71 C +ANISOU 576 CB ASP A 84 2882 1917 3070 -40 -1501 435 C +ATOM 577 CG ASP A 84 -15.271 10.247 4.563 1.00 26.17 C +ANISOU 577 CG ASP A 84 3766 2151 4026 330 -1305 686 C +ATOM 578 OD1 ASP A 84 -16.004 9.340 5.039 0.50 23.74 O +ANISOU 578 OD1 ASP A 84 4590 1929 2501 -178 -2106 767 O +ATOM 579 OD2 ASP A 84 -14.029 10.172 4.541 0.50 28.13 O +ANISOU 579 OD2 ASP A 84 3394 2062 5229 127 -3050 144 O +ATOM 580 N LEU A 85 -17.641 13.056 1.793 1.00 15.39 N +ANISOU 580 N LEU A 85 2415 1613 1817 73 -1139 454 N +ATOM 581 CA LEU A 85 -18.120 14.344 1.226 1.00 15.37 C +ANISOU 581 CA LEU A 85 2465 1356 2016 2 -680 364 C +ATOM 582 C LEU A 85 -19.637 14.381 1.005 1.00 15.74 C +ANISOU 582 C LEU A 85 2474 1493 2014 -23 -560 -133 C +ATOM 583 O LEU A 85 -20.271 15.391 1.230 1.00 14.88 O +ANISOU 583 O LEU A 85 2367 1315 1970 -146 -485 154 O +ATOM 584 CB LEU A 85 -17.406 14.633 -0.082 1.00 16.72 C +ANISOU 584 CB LEU A 85 2113 1782 2457 -16 -568 552 C +ATOM 585 CG LEU A 85 -15.884 14.826 0.086 1.00 18.12 C +ANISOU 585 CG LEU A 85 2085 2388 2410 -203 -650 219 C +ATOM 586 CD1 LEU A 85 -15.345 15.247 -1.271 1.00 20.19 C +ANISOU 586 CD1 LEU A 85 2474 2542 2655 674 -132 696 C +ATOM 587 CD2 LEU A 85 -15.455 15.834 1.171 1.00 20.90 C +ANISOU 587 CD2 LEU A 85 2754 2546 2640 -17 -931 88 C +ATOM 588 N PHE A 86 -20.204 13.273 0.509 1.00 14.45 N +ANISOU 588 N PHE A 86 2324 1302 1863 -84 -796 194 N +ATOM 589 CA PHE A 86 -21.632 13.176 0.282 1.00 15.31 C +ANISOU 589 CA PHE A 86 2453 1672 1688 -375 -556 55 C +ATOM 590 C PHE A 86 -22.423 12.845 1.561 1.00 17.39 C +ANISOU 590 C PHE A 86 2927 1893 1784 -457 -517 255 C +ATOM 591 O PHE A 86 -23.637 13.079 1.611 1.00 17.93 O +ANISOU 591 O PHE A 86 3063 2006 1743 190 -208 -238 O +ATOM 592 CB PHE A 86 -21.905 12.136 -0.789 1.00 14.38 C +ANISOU 592 CB PHE A 86 2206 1837 1417 -80 -689 7 C +ATOM 593 CG PHE A 86 -21.776 12.655 -2.217 1.00 13.84 C +ANISOU 593 CG PHE A 86 2211 1490 1558 240 -648 184 C +ATOM 594 CD1 PHE A 86 -21.137 13.866 -2.510 1.00 16.23 C +ANISOU 594 CD1 PHE A 86 2431 1752 1982 264 -395 497 C +ATOM 595 CD2 PHE A 86 -22.303 11.916 -3.270 1.00 15.03 C +ANISOU 595 CD2 PHE A 86 2236 1706 1768 85 -504 -98 C +ATOM 596 CE1 PHE A 86 -21.052 14.340 -3.829 1.00 13.83 C +ANISOU 596 CE1 PHE A 86 1983 1666 1603 302 -315 60 C +ATOM 597 CE2 PHE A 86 -22.209 12.372 -4.581 1.00 14.97 C +ANISOU 597 CE2 PHE A 86 2168 1552 1968 1 -381 156 C +ATOM 598 CZ PHE A 86 -21.582 13.588 -4.865 1.00 14.18 C +ANISOU 598 CZ PHE A 86 2064 1475 1848 74 -244 39 C +ATOM 599 N GLY A 87 -21.735 12.308 2.579 1.00 16.12 N +ANISOU 599 N GLY A 87 3097 1459 1566 -84 -581 -232 N +ATOM 600 CA GLY A 87 -22.375 12.011 3.861 1.00 17.82 C +ANISOU 600 CA GLY A 87 3235 1528 2007 -235 -320 -151 C +ATOM 601 C GLY A 87 -23.225 10.765 3.843 1.00 18.28 C +ANISOU 601 C GLY A 87 3323 1583 2037 -287 -48 -247 C +ATOM 602 O GLY A 87 -24.099 10.608 4.714 1.00 20.48 O +ANISOU 602 O GLY A 87 3571 2216 1993 -467 52 -412 O +ATOM 603 N VAL A 88 -22.968 9.885 2.863 1.00 15.30 N +ANISOU 603 N VAL A 88 2845 1381 1584 -508 -353 -116 N +ATOM 604 CA VAL A 88 -23.773 8.627 2.687 1.00 13.90 C +ANISOU 604 CA VAL A 88 2806 1051 1423 -227 -520 -207 C +ATOM 605 C VAL A 88 -22.862 7.467 2.278 1.00 14.17 C +ANISOU 605 C VAL A 88 2904 1236 1242 76 -353 275 C +ATOM 606 O VAL A 88 -21.812 7.707 1.661 1.00 17.48 O +ANISOU 606 O VAL A 88 2916 1515 2207 -267 -316 -74 O +ATOM 607 CB VAL A 88 -24.909 8.766 1.611 1.00 15.42 C +ANISOU 607 CB VAL A 88 2593 1790 1473 24 -374 66 C +ATOM 608 CG1 VAL A 88 -25.978 9.778 2.033 1.00 20.38 C +ANISOU 608 CG1 VAL A 88 3263 1990 2489 142 -292 -736 C +ATOM 609 CG2 VAL A 88 -24.345 9.158 0.245 1.00 18.44 C +ANISOU 609 CG2 VAL A 88 3145 1911 1950 -407 -4 438 C +ATOM 610 N PRO A 89 -23.236 6.209 2.615 1.00 15.13 N +ANISOU 610 N PRO A 89 2791 1389 1566 -267 -265 -2 N +ATOM 611 CA PRO A 89 -22.436 5.043 2.184 1.00 15.49 C +ANISOU 611 CA PRO A 89 2935 1210 1740 -321 -460 -21 C +ATOM 612 C PRO A 89 -22.804 4.568 0.779 1.00 15.11 C +ANISOU 612 C PRO A 89 2787 1368 1583 12 -580 194 C +ATOM 613 O PRO A 89 -22.081 3.756 0.195 1.00 16.75 O +ANISOU 613 O PRO A 89 2676 1715 1972 -217 -470 190 O +ATOM 614 CB PRO A 89 -22.800 3.975 3.215 1.00 18.14 C +ANISOU 614 CB PRO A 89 3443 1309 2140 -158 -415 237 C +ATOM 615 CG PRO A 89 -24.224 4.327 3.571 1.00 17.94 C +ANISOU 615 CG PRO A 89 3368 1292 2155 -224 33 226 C +ATOM 616 CD PRO A 89 -24.244 5.838 3.626 1.00 17.86 C +ANISOU 616 CD PRO A 89 3362 1327 2095 -621 35 189 C +ATOM 617 N SER A 90 -23.917 5.073 0.241 1.00 14.72 N +ANISOU 617 N SER A 90 2649 1480 1463 -101 -656 -55 N +ATOM 618 CA SER A 90 -24.379 4.691 -1.109 1.00 13.69 C +ANISOU 618 CA SER A 90 2678 1181 1339 -178 -790 307 C +ATOM 619 C SER A 90 -25.396 5.712 -1.570 1.00 14.31 C +ANISOU 619 C SER A 90 2429 1386 1621 -68 -367 275 C +ATOM 620 O SER A 90 -25.974 6.422 -0.746 1.00 16.30 O +ANISOU 620 O SER A 90 2893 1604 1695 -14 -511 -149 O +ATOM 621 CB SER A 90 -25.051 3.287 -1.118 1.00 15.82 C +ANISOU 621 CB SER A 90 2822 1178 2009 -107 -353 251 C +ATOM 622 OG SER A 90 -26.282 3.288 -0.361 1.00 18.72 O +ANISOU 622 OG SER A 90 2880 1657 2574 -334 -486 276 O +ATOM 623 N PHE A 91 -25.619 5.782 -2.883 1.00 14.24 N +ANISOU 623 N PHE A 91 2462 1218 1731 81 -574 329 N +ATOM 624 CA PHE A 91 -26.649 6.671 -3.406 1.00 13.29 C +ANISOU 624 CA PHE A 91 2160 1326 1563 61 -578 116 C +ATOM 625 C PHE A 91 -27.108 6.195 -4.758 1.00 13.41 C +ANISOU 625 C PHE A 91 2030 1408 1657 -41 -401 -159 C +ATOM 626 O PHE A 91 -26.366 5.498 -5.494 1.00 13.72 O +ANISOU 626 O PHE A 91 2062 1199 1951 164 -337 -171 O +ATOM 627 CB PHE A 91 -26.201 8.166 -3.479 1.00 13.47 C +ANISOU 627 CB PHE A 91 2288 1277 1551 90 -389 -190 C +ATOM 628 CG PHE A 91 -25.031 8.432 -4.388 1.00 13.00 C +ANISOU 628 CG PHE A 91 2279 1167 1490 61 -431 161 C +ATOM 629 CD1 PHE A 91 -25.219 8.774 -5.754 1.00 13.71 C +ANISOU 629 CD1 PHE A 91 2702 1164 1343 187 -335 -169 C +ATOM 630 CD2 PHE A 91 -23.720 8.328 -3.900 1.00 15.66 C +ANISOU 630 CD2 PHE A 91 2300 1445 2203 216 -429 9 C +ATOM 631 CE1 PHE A 91 -24.124 9.017 -6.574 1.00 14.41 C +ANISOU 631 CE1 PHE A 91 2175 1372 1928 367 -447 -302 C +ATOM 632 CE2 PHE A 91 -22.625 8.605 -4.717 1.00 14.94 C +ANISOU 632 CE2 PHE A 91 2226 1470 1977 81 -343 -155 C +ATOM 633 CZ PHE A 91 -22.827 8.944 -6.062 1.00 15.42 C +ANISOU 633 CZ PHE A 91 2309 1518 2031 188 -581 -216 C +ATOM 634 N SER A 92 -28.341 6.552 -5.091 1.00 13.72 N +ANISOU 634 N SER A 92 2075 1454 1684 292 -341 -150 N +ATOM 635 CA SER A 92 -28.888 6.206 -6.420 1.00 15.10 C +ANISOU 635 CA SER A 92 2279 1638 1820 -69 -651 78 C +ATOM 636 C SER A 92 -28.495 7.225 -7.498 1.00 15.76 C +ANISOU 636 C SER A 92 2373 1744 1871 142 -177 -71 C +ATOM 637 O SER A 92 -28.685 8.445 -7.323 1.00 15.61 O +ANISOU 637 O SER A 92 2362 1731 1836 15 -288 -226 O +ATOM 638 CB SER A 92 -30.411 6.121 -6.352 1.00 18.24 C +ANISOU 638 CB SER A 92 2181 2475 2274 -122 -675 140 C +ATOM 639 OG SER A 92 -30.934 6.040 -7.673 1.00 17.75 O +ANISOU 639 OG SER A 92 2749 1732 2263 -418 -724 25 O +ATOM 640 N VAL A 93 -27.988 6.728 -8.624 1.00 13.61 N +ANISOU 640 N VAL A 93 2035 1668 1468 -64 -553 -44 N +ATOM 641 CA VAL A 93 -27.641 7.599 -9.764 1.00 13.38 C +ANISOU 641 CA VAL A 93 2108 1333 1641 -13 -528 -61 C +ATOM 642 C VAL A 93 -28.853 8.228 -10.450 1.00 14.84 C +ANISOU 642 C VAL A 93 2291 1463 1884 132 -586 -170 C +ATOM 643 O VAL A 93 -28.687 9.187 -11.224 1.00 17.10 O +ANISOU 643 O VAL A 93 2539 1854 2103 298 -449 126 O +ATOM 644 CB VAL A 93 -26.827 6.821 -10.839 1.00 13.45 C +ANISOU 644 CB VAL A 93 1719 1621 1771 -7 -598 -208 C +ATOM 645 CG1 VAL A 93 -25.540 6.232 -10.223 1.00 17.67 C +ANISOU 645 CG1 VAL A 93 2456 2346 1909 425 -852 231 C +ATOM 646 CG2 VAL A 93 -27.711 5.761 -11.552 1.00 14.97 C +ANISOU 646 CG2 VAL A 93 2338 1503 1848 -73 -681 -319 C +ATOM 647 N LYS A 94 -30.056 7.701 -10.171 1.00 15.50 N +ANISOU 647 N LYS A 94 2090 1574 2226 184 -730 -248 N +ATOM 648 CA LYS A 94 -31.319 8.179 -10.783 1.00 16.46 C +ANISOU 648 CA LYS A 94 2006 1811 2436 293 -583 -63 C +ATOM 649 C LYS A 94 -31.775 9.537 -10.262 1.00 17.56 C +ANISOU 649 C LYS A 94 2446 1838 2385 137 -792 -282 C +ATOM 650 O LYS A 94 -32.550 10.236 -10.931 1.00 20.59 O +ANISOU 650 O LYS A 94 2455 2138 3226 248 -705 155 O +ATOM 651 CB LYS A 94 -32.454 7.152 -10.604 1.00 21.65 C +ANISOU 651 CB LYS A 94 2619 2033 3571 -179 -1220 -285 C +ATOM 652 CG LYS A 94 -32.159 5.748 -11.130 1.00 29.65 C +ANISOU 652 CG LYS A 94 3444 2469 5351 507 -1902 -976 C +ATOM 653 CD LYS A 94 -33.346 4.808 -10.913 1.00 41.63 C +ANISOU 653 CD LYS A 94 4693 3981 7144 -716 -2529 -1126 C +ATOM 654 CE LYS A 94 -33.164 3.456 -11.602 1.00 43.68 C +ANISOU 654 CE LYS A 94 5783 4069 6741 1662 -3316 -799 C +ATOM 655 NZ LYS A 94 -33.112 3.547 -13.097 0.50 46.50 N +ANISOU 655 NZ LYS A 94 8149 2909 6608 4006 -5758 -1762 N +ATOM 656 N GLU A 95 -31.274 9.896 -9.083 1.00 15.63 N +ANISOU 656 N GLU A 95 2317 1496 2124 118 -379 -73 N +ATOM 657 CA AGLU A 95 -31.741 11.049 -8.316 0.50 16.75 C +ANISOU 657 CA AGLU A 95 2505 1552 2305 -124 90 -91 C +ATOM 658 CA BGLU A 95 -31.772 11.063 -8.359 0.50 17.30 C +ANISOU 658 CA BGLU A 95 2613 1542 2416 -159 135 -148 C +ATOM 659 C GLU A 95 -30.867 12.271 -8.600 1.00 14.34 C +ANISOU 659 C GLU A 95 1978 1476 1994 32 -375 203 C +ATOM 660 O GLU A 95 -30.044 12.669 -7.742 1.00 15.58 O +ANISOU 660 O GLU A 95 2422 1455 2042 -27 -224 -43 O +ATOM 661 CB AGLU A 95 -31.679 10.704 -6.820 0.50 18.93 C +ANISOU 661 CB AGLU A 95 2681 2065 2443 -689 49 281 C +ATOM 662 CB BGLU A 95 -31.912 10.725 -6.872 0.50 21.65 C +ANISOU 662 CB BGLU A 95 3156 2472 2596 -748 90 289 C +ATOM 663 CG AGLU A 95 -32.551 9.525 -6.402 0.50 20.54 C +ANISOU 663 CG AGLU A 95 2690 1665 3447 -401 -117 535 C +ATOM 664 CG BGLU A 95 -32.982 9.672 -6.594 0.50 26.24 C +ANISOU 664 CG BGLU A 95 3659 2174 4133 -932 21 5 C +ATOM 665 CD AGLU A 95 -34.030 9.835 -6.513 0.50 23.57 C +ANISOU 665 CD AGLU A 95 2538 2288 4127 -513 -10 143 C +ATOM 666 CD BGLU A 95 -33.057 9.296 -5.134 0.50 33.65 C +ANISOU 666 CD BGLU A 95 4974 3586 4224 -451 541 230 C +ATOM 667 OE1AGLU A 95 -34.408 11.037 -6.440 0.50 22.49 O +ANISOU 667 OE1AGLU A 95 2547 2223 3775 -427 23 876 O +ATOM 668 OE1BGLU A 95 -32.018 8.877 -4.586 0.50 42.34 O +ANISOU 668 OE1BGLU A 95 5693 5458 4933 1057 630 -263 O +ATOM 669 OE2AGLU A 95 -34.809 8.869 -6.672 0.50 23.79 O +ANISOU 669 OE2AGLU A 95 2137 2822 4080 -611 -111 28 O +ATOM 670 OE2BGLU A 95 -34.149 9.412 -4.536 0.50 40.91 O +ANISOU 670 OE2BGLU A 95 4954 3966 6624 284 882 -372 O +ATOM 671 N HIS A 96 -31.012 12.866 -9.800 1.00 12.99 N +ANISOU 671 N HIS A 96 1944 1216 1776 -169 -455 -142 N +ATOM 672 CA HIS A 96 -30.008 13.901 -10.209 1.00 12.81 C +ANISOU 672 CA HIS A 96 1949 1339 1578 -167 -195 -144 C +ATOM 673 C HIS A 96 -30.061 15.120 -9.321 1.00 11.11 C +ANISOU 673 C HIS A 96 1461 1218 1539 73 -207 -129 C +ATOM 674 O HIS A 96 -29.016 15.677 -8.971 1.00 12.01 O +ANISOU 674 O HIS A 96 1573 1380 1610 99 -464 -22 O +ATOM 675 CB HIS A 96 -30.121 14.310 -11.671 1.00 13.32 C +ANISOU 675 CB HIS A 96 2037 1436 1587 250 -575 -213 C +ATOM 676 CG HIS A 96 -29.731 13.202 -12.638 1.00 14.10 C +ANISOU 676 CG HIS A 96 1986 1638 1731 173 -533 -408 C +ATOM 677 ND1 HIS A 96 -29.542 13.419 -13.958 1.00 16.74 N +ANISOU 677 ND1 HIS A 96 2584 1954 1819 -397 -406 -553 N +ATOM 678 CD2 HIS A 96 -29.536 11.830 -12.438 1.00 14.00 C +ANISOU 678 CD2 HIS A 96 1636 1755 1927 191 -263 -248 C +ATOM 679 CE1 HIS A 96 -29.193 12.267 -14.561 1.00 17.49 C +ANISOU 679 CE1 HIS A 96 2819 1908 1918 101 -382 -256 C +ATOM 680 NE2 HIS A 96 -29.221 11.290 -13.652 1.00 15.45 N +ANISOU 680 NE2 HIS A 96 2214 1893 1761 271 -326 -226 N +ATOM 681 N ARG A 97 -31.261 15.560 -8.956 1.00 13.02 N +ANISOU 681 N ARG A 97 1725 1562 1659 367 -130 -152 N +ATOM 682 CA ARG A 97 -31.385 16.729 -8.041 1.00 12.43 C +ANISOU 682 CA ARG A 97 1566 1492 1663 209 -170 -158 C +ATOM 683 C ARG A 97 -30.725 16.433 -6.696 1.00 12.92 C +ANISOU 683 C ARG A 97 1853 1360 1696 -113 -246 15 C +ATOM 684 O ARG A 97 -29.995 17.282 -6.168 1.00 12.18 O +ANISOU 684 O ARG A 97 1735 1477 1415 47 -378 -184 O +ATOM 685 CB ARG A 97 -32.877 17.076 -7.813 1.00 14.36 C +ANISOU 685 CB ARG A 97 1463 1928 2063 263 -356 -178 C +ATOM 686 CG ARG A 97 -33.137 18.191 -6.765 1.00 14.24 C +ANISOU 686 CG ARG A 97 1602 1488 2319 102 -325 -134 C +ATOM 687 CD ARG A 97 -32.365 19.475 -7.075 1.00 12.16 C +ANISOU 687 CD ARG A 97 1428 1652 1539 100 -329 53 C +ATOM 688 NE ARG A 97 -32.680 20.055 -8.407 1.00 13.38 N +ANISOU 688 NE ARG A 97 1701 1701 1682 616 -194 285 N +ATOM 689 CZ ARG A 97 -31.875 20.930 -9.034 1.00 13.14 C +ANISOU 689 CZ ARG A 97 1811 1617 1562 177 -508 208 C +ATOM 690 NH1 ARG A 97 -30.711 21.281 -8.469 1.00 12.52 N +ANISOU 690 NH1 ARG A 97 1785 1567 1403 375 -341 -83 N +ATOM 691 NH2 ARG A 97 -32.226 21.456 -10.233 1.00 13.85 N +ANISOU 691 NH2 ARG A 97 1872 1817 1571 718 -573 110 N +ATOM 692 N LYS A 98 -30.936 15.234 -6.134 1.00 12.60 N +ANISOU 692 N LYS A 98 1768 1328 1688 186 -202 187 N +ATOM 693 CA LYS A 98 -30.284 14.914 -4.844 1.00 13.65 C +ANISOU 693 CA LYS A 98 1780 1492 1911 -85 -424 263 C +ATOM 694 C LYS A 98 -28.748 14.880 -4.971 1.00 12.56 C +ANISOU 694 C LYS A 98 1782 1439 1551 197 -339 -32 C +ATOM 695 O LYS A 98 -28.057 15.344 -4.051 1.00 12.49 O +ANISOU 695 O LYS A 98 1725 1299 1719 242 -483 19 O +ATOM 696 CB LYS A 98 -30.800 13.586 -4.263 1.00 13.77 C +ANISOU 696 CB LYS A 98 1938 1482 1811 -143 18 183 C +ATOM 697 CG LYS A 98 -32.297 13.599 -3.974 1.00 22.24 C +ANISOU 697 CG LYS A 98 2016 2794 3638 -288 308 700 C +ATOM 698 CD LYS A 98 -32.729 12.361 -3.208 1.00 27.95 C +ANISOU 698 CD LYS A 98 3463 3310 3846 -1173 505 594 C +ATOM 699 CE LYS A 98 -34.229 12.395 -2.958 1.00 35.22 C +ANISOU 699 CE LYS A 98 3364 4637 5379 -1170 329 931 C +ATOM 700 NZ LYS A 98 -34.598 11.331 -1.991 1.00 40.82 N +ANISOU 700 NZ LYS A 98 5389 4813 5308 -858 1179 779 N +ATOM 701 N ILE A 99 -28.233 14.383 -6.102 1.00 10.87 N +ANISOU 701 N ILE A 99 1322 1278 1529 -7 -442 101 N +ATOM 702 CA ILE A 99 -26.770 14.405 -6.357 1.00 11.63 C +ANISOU 702 CA ILE A 99 1552 1104 1762 121 -122 -176 C +ATOM 703 C ILE A 99 -26.265 15.863 -6.464 1.00 10.82 C +ANISOU 703 C ILE A 99 1680 1150 1280 16 -491 -47 C +ATOM 704 O ILE A 99 -25.270 16.225 -5.824 1.00 11.75 O +ANISOU 704 O ILE A 99 1672 1324 1467 139 -506 -187 O +ATOM 705 CB ILE A 99 -26.407 13.559 -7.583 1.00 10.21 C +ANISOU 705 CB ILE A 99 1495 1198 1183 -41 -205 121 C +ATOM 706 CG1 ILE A 99 -26.681 12.091 -7.246 1.00 12.89 C +ANISOU 706 CG1 ILE A 99 2277 1069 1549 -255 -557 -170 C +ATOM 707 CG2 ILE A 99 -24.939 13.735 -7.949 1.00 11.84 C +ANISOU 707 CG2 ILE A 99 1384 1503 1609 280 -87 -149 C +ATOM 708 CD1 ILE A 99 -26.735 11.187 -8.470 1.00 14.00 C +ANISOU 708 CD1 ILE A 99 2231 1465 1622 -8 -587 -460 C +ATOM 709 N TYR A 100 -26.975 16.704 -7.226 1.00 10.74 N +ANISOU 709 N TYR A 100 1620 1097 1362 199 -230 -34 N +ATOM 710 CA TYR A 100 -26.627 18.128 -7.274 1.00 11.24 C +ANISOU 710 CA TYR A 100 1988 1077 1205 221 -426 -79 C +ATOM 711 C TYR A 100 -26.568 18.741 -5.867 1.00 11.66 C +ANISOU 711 C TYR A 100 1890 1342 1197 0 -191 -98 C +ATOM 712 O TYR A 100 -25.600 19.438 -5.540 1.00 11.05 O +ANISOU 712 O TYR A 100 1724 1159 1314 257 -364 -167 O +ATOM 713 CB TYR A 100 -27.555 18.926 -8.205 1.00 11.25 C +ANISOU 713 CB TYR A 100 1922 1366 985 225 -367 2 C +ATOM 714 CG TYR A 100 -26.993 19.039 -9.635 1.00 10.03 C +ANISOU 714 CG TYR A 100 1804 952 1051 180 -269 -150 C +ATOM 715 CD1 TYR A 100 -26.669 17.902 -10.412 1.00 13.19 C +ANISOU 715 CD1 TYR A 100 2025 1373 1613 381 -332 -539 C +ATOM 716 CD2 TYR A 100 -26.705 20.282 -10.166 1.00 10.97 C +ANISOU 716 CD2 TYR A 100 1576 1304 1289 74 -318 325 C +ATOM 717 CE1 TYR A 100 -26.107 18.047 -11.666 1.00 14.65 C +ANISOU 717 CE1 TYR A 100 2118 1783 1663 48 -366 -140 C +ATOM 718 CE2 TYR A 100 -26.170 20.435 -11.441 1.00 12.00 C +ANISOU 718 CE2 TYR A 100 1941 1498 1119 63 -376 -132 C +ATOM 719 CZ TYR A 100 -25.853 19.324 -12.180 1.00 13.25 C +ANISOU 719 CZ TYR A 100 2001 1648 1386 273 -503 -262 C +ATOM 720 OH TYR A 100 -25.255 19.475 -13.424 1.00 15.32 O +ANISOU 720 OH TYR A 100 2474 1877 1468 324 -371 78 O +ATOM 721 N THR A 101 -27.567 18.451 -5.030 1.00 11.08 N +ANISOU 721 N THR A 101 1797 1264 1146 276 -155 -27 N +ATOM 722 CA THR A 101 -27.568 18.979 -3.652 1.00 10.90 C +ANISOU 722 CA THR A 101 1805 1249 1086 229 -103 64 C +ATOM 723 C THR A 101 -26.322 18.537 -2.875 1.00 12.15 C +ANISOU 723 C THR A 101 1900 1294 1420 149 -311 -81 C +ATOM 724 O THR A 101 -25.711 19.335 -2.162 1.00 13.34 O +ANISOU 724 O THR A 101 2107 1331 1628 146 -293 -277 O +ATOM 725 CB THR A 101 -28.871 18.546 -2.945 1.00 12.01 C +ANISOU 725 CB THR A 101 1694 1718 1149 326 -94 181 C +ATOM 726 OG1 THR A 101 -29.973 19.143 -3.646 1.00 13.24 O +ANISOU 726 OG1 THR A 101 1901 1385 1742 414 -203 278 O +ATOM 727 CG2 THR A 101 -28.903 18.970 -1.476 1.00 14.48 C +ANISOU 727 CG2 THR A 101 2477 1648 1375 -86 59 -159 C +ATOM 728 N MET A 102 -25.969 17.257 -2.977 1.00 12.60 N +ANISOU 728 N MET A 102 2050 1425 1312 476 -418 -149 N +ATOM 729 CA MET A 102 -24.766 16.754 -2.284 1.00 11.35 C +ANISOU 729 CA MET A 102 1770 1005 1536 270 -344 -66 C +ATOM 730 C MET A 102 -23.497 17.455 -2.801 1.00 11.91 C +ANISOU 730 C MET A 102 1966 1202 1355 83 -430 56 C +ATOM 731 O MET A 102 -22.582 17.740 -2.011 1.00 13.57 O +ANISOU 731 O MET A 102 2001 1425 1729 -100 -536 -16 O +ATOM 732 CB MET A 102 -24.666 15.220 -2.423 1.00 11.63 C +ANISOU 732 CB MET A 102 1911 931 1575 86 -366 264 C +ATOM 733 CG MET A 102 -25.748 14.520 -1.611 1.00 14.98 C +ANISOU 733 CG MET A 102 2232 1556 1901 -299 44 -46 C +ATOM 734 SD MET A 102 -25.590 12.705 -1.554 1.00 16.80 S +ANISOU 734 SD MET A 102 2586 1647 2147 0 -527 285 S +ATOM 735 CE MET A 102 -26.029 12.276 -3.227 1.00 17.26 C +ANISOU 735 CE MET A 102 2776 1691 2089 -108 -584 133 C +ATOM 736 N ILE A 103 -23.436 17.714 -4.109 1.00 10.36 N +ANISOU 736 N ILE A 103 1633 916 1386 77 -356 -58 N +ATOM 737 CA ILE A 103 -22.311 18.459 -4.665 1.00 10.49 C +ANISOU 737 CA ILE A 103 1715 1194 1076 -15 -414 -65 C +ATOM 738 C ILE A 103 -22.320 19.910 -4.183 1.00 11.05 C +ANISOU 738 C ILE A 103 1661 1194 1341 170 -572 -119 C +ATOM 739 O ILE A 103 -21.270 20.412 -3.774 1.00 11.83 O +ANISOU 739 O ILE A 103 1624 1277 1591 114 -606 -207 O +ATOM 740 CB ILE A 103 -22.293 18.396 -6.200 1.00 12.05 C +ANISOU 740 CB ILE A 103 2034 1506 1037 9 -380 -101 C +ATOM 741 CG1 ILE A 103 -22.083 16.910 -6.621 1.00 12.76 C +ANISOU 741 CG1 ILE A 103 1876 1572 1400 0 -611 -229 C +ATOM 742 CG2 ILE A 103 -21.203 19.328 -6.765 1.00 13.74 C +ANISOU 742 CG2 ILE A 103 2108 1852 1259 -92 -316 -47 C +ATOM 743 CD1 ILE A 103 -22.304 16.644 -8.100 1.00 14.54 C +ANISOU 743 CD1 ILE A 103 1979 2137 1406 -164 -430 -434 C +ATOM 744 N TYR A 104 -23.480 20.580 -4.171 1.00 11.87 N +ANISOU 744 N TYR A 104 1976 1120 1410 394 -162 -152 N +ATOM 745 CA TYR A 104 -23.509 22.002 -3.713 1.00 11.87 C +ANISOU 745 CA TYR A 104 1889 1262 1357 299 -571 -331 C +ATOM 746 C TYR A 104 -22.959 22.139 -2.289 1.00 12.10 C +ANISOU 746 C TYR A 104 2281 1072 1242 198 -560 -64 C +ATOM 747 O TYR A 104 -22.309 23.142 -1.978 1.00 12.85 O +ANISOU 747 O TYR A 104 1989 1439 1452 -27 -700 36 O +ATOM 748 CB TYR A 104 -24.927 22.583 -3.763 1.00 12.62 C +ANISOU 748 CB TYR A 104 1782 1669 1343 344 -495 201 C +ATOM 749 CG TYR A 104 -25.394 22.905 -5.182 1.00 11.59 C +ANISOU 749 CG TYR A 104 1950 1179 1274 138 -560 0 C +ATOM 750 CD1 TYR A 104 -26.574 22.362 -5.700 1.00 11.98 C +ANISOU 750 CD1 TYR A 104 1717 1604 1231 216 -591 -56 C +ATOM 751 CD2 TYR A 104 -24.666 23.790 -5.991 1.00 13.44 C +ANISOU 751 CD2 TYR A 104 1908 1763 1434 155 -397 380 C +ATOM 752 CE1 TYR A 104 -27.017 22.678 -7.007 1.00 11.47 C +ANISOU 752 CE1 TYR A 104 1668 1397 1289 369 -485 130 C +ATOM 753 CE2 TYR A 104 -25.095 24.088 -7.312 1.00 14.07 C +ANISOU 753 CE2 TYR A 104 2113 1678 1555 66 -573 431 C +ATOM 754 CZ TYR A 104 -26.297 23.546 -7.784 1.00 13.18 C +ANISOU 754 CZ TYR A 104 1921 1426 1658 363 -425 85 C +ATOM 755 OH TYR A 104 -26.712 23.807 -9.080 1.00 14.97 O +ANISOU 755 OH TYR A 104 2270 1602 1814 318 -527 73 O +ATOM 756 N ARG A 105 -23.173 21.126 -1.448 1.00 12.14 N +ANISOU 756 N ARG A 105 2182 1262 1166 318 -331 36 N +ATOM 757 CA ARG A 105 -22.638 21.171 -0.071 1.00 13.34 C +ANISOU 757 CA ARG A 105 2378 1318 1371 267 -687 102 C +ATOM 758 C ARG A 105 -21.108 21.289 -0.046 1.00 13.91 C +ANISOU 758 C ARG A 105 2384 1309 1589 291 -835 -207 C +ATOM 759 O ARG A 105 -20.516 21.752 0.964 1.00 17.90 O +ANISOU 759 O ARG A 105 3098 2225 1478 207 -978 -296 O +ATOM 760 CB ARG A 105 -23.002 19.894 0.686 1.00 19.47 C +ANISOU 760 CB ARG A 105 3274 1711 2410 21 -386 571 C +ATOM 761 CG ARG A 105 -24.474 19.688 0.902 1.00 24.14 C +ANISOU 761 CG ARG A 105 3694 2521 2956 10 -154 824 C +ATOM 762 CD ARG A 105 -24.757 18.799 2.108 1.00 36.91 C +ANISOU 762 CD ARG A 105 5606 4919 3500 -1183 1549 1291 C +ATOM 763 NE ARG A 105 -26.099 18.249 1.994 1.00 37.62 N +ANISOU 763 NE ARG A 105 6411 4678 3204 -1333 186 671 N +ATOM 764 CZ ARG A 105 -26.356 16.956 1.875 0.50 36.67 C +ANISOU 764 CZ ARG A 105 5321 4201 4410 -401 -357 479 C +ATOM 765 NH1 ARG A 105 -25.358 16.073 1.880 0.50 28.47 N +ANISOU 765 NH1 ARG A 105 4890 3947 1980 -755 -1018 -898 N +ATOM 766 NH2 ARG A 105 -27.609 16.548 1.766 0.50 35.82 N +ANISOU 766 NH2 ARG A 105 4570 4266 4771 621 -605 1982 N +ATOM 767 N ASN A 106 -20.497 20.829 -1.143 1.00 13.70 N +ANISOU 767 N ASN A 106 2137 1415 1652 146 -490 176 N +ATOM 768 CA ASN A 106 -19.064 20.692 -1.293 1.00 13.67 C +ANISOU 768 CA ASN A 106 2317 1135 1742 243 -515 -96 C +ATOM 769 C ASN A 106 -18.429 21.804 -2.096 1.00 12.73 C +ANISOU 769 C ASN A 106 2149 1398 1288 206 -774 20 C +ATOM 770 O ASN A 106 -17.236 21.734 -2.407 1.00 15.41 O +ANISOU 770 O ASN A 106 2228 1587 2037 230 -796 -36 O +ATOM 771 CB ASN A 106 -18.777 19.310 -1.910 1.00 12.91 C +ANISOU 771 CB ASN A 106 2330 965 1608 292 -684 131 C +ATOM 772 CG ASN A 106 -18.905 18.215 -0.899 1.00 15.55 C +ANISOU 772 CG ASN A 106 2669 1203 2035 49 -1185 419 C +ATOM 773 OD1 ASN A 106 -19.928 17.499 -0.829 1.00 18.59 O +ANISOU 773 OD1 ASN A 106 2632 1985 2446 -146 -940 128 O +ATOM 774 ND2 ASN A 106 -17.898 18.087 -0.091 1.00 16.95 N +ANISOU 774 ND2 ASN A 106 2421 1467 2552 64 -1246 600 N +ATOM 775 N LEU A 107 -19.219 22.840 -2.426 1.00 13.23 N +ANISOU 775 N LEU A 107 2207 1225 1593 268 -691 -92 N +ATOM 776 CA LEU A 107 -18.708 24.016 -3.144 1.00 13.69 C +ANISOU 776 CA LEU A 107 2049 1264 1887 121 -870 32 C +ATOM 777 C LEU A 107 -18.558 25.220 -2.235 1.00 14.58 C +ANISOU 777 C LEU A 107 2456 1416 1668 -198 -659 -9 C +ATOM 778 O LEU A 107 -19.277 25.341 -1.238 1.00 16.54 O +ANISOU 778 O LEU A 107 2635 1403 2246 -132 -598 -182 O +ATOM 779 CB LEU A 107 -19.664 24.431 -4.273 1.00 13.20 C +ANISOU 779 CB LEU A 107 2094 1360 1558 99 -726 35 C +ATOM 780 CG LEU A 107 -20.039 23.305 -5.243 1.00 13.11 C +ANISOU 780 CG LEU A 107 1848 1614 1518 129 -751 -57 C +ATOM 781 CD1 LEU A 107 -21.078 23.793 -6.221 1.00 17.03 C +ANISOU 781 CD1 LEU A 107 2429 2003 2037 173 -1106 440 C +ATOM 782 CD2 LEU A 107 -18.812 22.771 -5.992 1.00 14.60 C +ANISOU 782 CD2 LEU A 107 1755 1744 2046 451 -544 175 C +ATOM 783 N VAL A 108 -17.657 26.129 -2.588 1.00 14.48 N +ANISOU 783 N VAL A 108 1915 1248 2338 -96 -995 148 N +ATOM 784 CA VAL A 108 -17.527 27.397 -1.845 1.00 16.27 C +ANISOU 784 CA VAL A 108 2552 1568 2062 48 -955 -103 C +ATOM 785 C VAL A 108 -18.851 28.186 -1.931 1.00 18.26 C +ANISOU 785 C VAL A 108 2591 1959 2388 92 -716 149 C +ATOM 786 O VAL A 108 -19.513 28.172 -2.975 1.00 17.46 O +ANISOU 786 O VAL A 108 2415 1896 2320 310 -571 281 O +ATOM 787 CB VAL A 108 -16.356 28.209 -2.388 1.00 17.17 C +ANISOU 787 CB VAL A 108 2362 1254 2906 121 -1025 187 C +ATOM 788 CG1 VAL A 108 -16.270 29.592 -1.727 1.00 20.21 C +ANISOU 788 CG1 VAL A 108 3074 1300 3301 -487 -613 54 C +ATOM 789 CG2 VAL A 108 -15.046 27.455 -2.150 1.00 18.12 C +ANISOU 789 CG2 VAL A 108 2476 1640 2768 398 -1009 59 C +ATOM 790 OXT VAL A 108 -19.318 28.816 -0.958 1.00 22.60 O +ANISOU 790 OXT VAL A 108 3589 2063 2932 323 -417 166 O +TER 791 VAL A 108 +HETATM 792 O3 NUT A 201 -23.667 5.839 -16.568 1.00 18.16 O +ANISOU 792 O3 NUT A 201 2971 1682 2248 136 -173 -588 O +HETATM 793 C25 NUT A 201 -23.015 6.538 -15.757 1.00 16.08 C +ANISOU 793 C25 NUT A 201 2123 1719 2267 314 -363 -344 C +HETATM 794 N2 NUT A 201 -21.695 6.402 -15.710 1.00 16.62 N +ANISOU 794 N2 NUT A 201 2187 2008 2117 154 56 -1030 N +HETATM 795 C29 NUT A 201 -21.006 5.564 -16.697 1.00 18.26 C +ANISOU 795 C29 NUT A 201 2767 2416 1753 405 -93 -1129 C +HETATM 796 C28 NUT A 201 -19.624 6.037 -17.066 1.00 21.25 C +ANISOU 796 C28 NUT A 201 3157 2714 2199 536 400 -787 C +HETATM 797 O2 NUT A 201 -19.027 5.438 -17.957 1.00 26.40 O +ANISOU 797 O2 NUT A 201 3704 3591 2733 1379 798 -838 O +HETATM 798 N3 NUT A 201 -19.096 7.088 -16.423 1.00 19.48 N +ANISOU 798 N3 NUT A 201 2555 2737 2107 -18 258 -379 N +HETATM 799 C27 NUT A 201 -19.765 7.777 -15.316 1.00 18.67 C +ANISOU 799 C27 NUT A 201 2451 2591 2049 -86 188 -350 C +HETATM 800 C26 NUT A 201 -20.851 6.955 -14.647 1.00 17.26 C +ANISOU 800 C26 NUT A 201 1996 2035 2527 -202 -446 -317 C +HETATM 801 N1 NUT A 201 -23.728 7.387 -14.970 1.00 13.52 N +ANISOU 801 N1 NUT A 201 2033 1394 1708 -58 -456 -184 N +HETATM 802 C10 NUT A 201 -25.032 7.173 -14.710 1.00 15.25 C +ANISOU 802 C10 NUT A 201 2213 1466 2112 -164 -146 -292 C +HETATM 803 C9 NUT A 201 -25.716 5.849 -14.559 1.00 13.04 C +ANISOU 803 C9 NUT A 201 2045 1190 1718 142 -301 -125 C +HETATM 804 C3 NUT A 201 -27.003 5.643 -15.033 1.00 15.29 C +ANISOU 804 C3 NUT A 201 2308 1346 2152 -343 -478 -226 C +HETATM 805 C2 NUT A 201 -27.636 4.390 -14.872 1.00 13.86 C +ANISOU 805 C2 NUT A 201 2166 1362 1735 -310 -648 -336 C +HETATM 806 C5 NUT A 201 -25.021 4.742 -13.878 1.00 12.69 C +ANISOU 806 C5 NUT A 201 1861 1362 1596 22 -523 5 C +HETATM 807 O1 NUT A 201 -23.751 4.950 -13.415 1.00 14.16 O +ANISOU 807 O1 NUT A 201 1996 1489 1895 66 -794 -20 O +HETATM 808 C6 NUT A 201 -23.077 3.927 -12.640 1.00 14.20 C +ANISOU 808 C6 NUT A 201 2041 1299 2053 187 -837 -266 C +HETATM 809 C8 NUT A 201 -22.445 2.900 -13.586 1.00 17.73 C +ANISOU 809 C8 NUT A 201 2325 1903 2506 434 -583 -502 C +HETATM 810 C7 NUT A 201 -22.063 4.596 -11.718 1.00 16.82 C +ANISOU 810 C7 NUT A 201 2163 1746 2481 -436 -911 -44 C +HETATM 811 C4 NUT A 201 -25.678 3.512 -13.732 1.00 13.78 C +ANISOU 811 C4 NUT A 201 1725 1650 1859 -280 -605 -223 C +HETATM 812 C1 NUT A 201 -26.973 3.348 -14.207 1.00 14.18 C +ANISOU 812 C1 NUT A 201 1738 1722 1927 -308 -598 -37 C +HETATM 813 O NUT A 201 -27.557 2.127 -14.022 1.00 15.19 O +ANISOU 813 O NUT A 201 1823 1762 2183 -300 -672 -257 O +HETATM 814 C NUT A 201 -28.863 1.822 -14.540 1.00 16.25 C +ANISOU 814 C NUT A 201 1824 1736 2613 -235 -905 -177 C +HETATM 815 C18 NUT A 201 -23.330 8.774 -14.740 1.00 15.90 C +ANISOU 815 C18 NUT A 201 2442 1522 2076 3 -340 -673 C +HETATM 816 C19 NUT A 201 -22.897 9.233 -13.374 1.00 13.46 C +ANISOU 816 C19 NUT A 201 1805 1625 1682 -85 -213 -131 C +HETATM 817 C24 NUT A 201 -22.198 10.451 -13.326 1.00 14.37 C +ANISOU 817 C24 NUT A 201 2078 1552 1830 31 -401 -386 C +HETATM 818 C23 NUT A 201 -21.867 10.994 -12.087 1.00 13.16 C +ANISOU 818 C23 NUT A 201 2292 1179 1528 162 -65 -192 C +HETATM 819 C22 NUT A 201 -22.260 10.321 -10.942 1.00 13.69 C +ANISOU 819 C22 NUT A 201 1981 1538 1681 16 -265 80 C +HETATM 820 CL1 NUT A 201 -21.928 11.079 -9.376 1.00 17.12 CL +ANISOU 820 CL1 NUT A 201 2523 1738 2243 286 -664 -259 CL +HETATM 821 C21 NUT A 201 -22.988 9.123 -10.942 1.00 13.60 C +ANISOU 821 C21 NUT A 201 1978 1403 1785 29 -219 -205 C +HETATM 822 C20 NUT A 201 -23.300 8.579 -12.190 1.00 13.58 C +ANISOU 822 C20 NUT A 201 1825 1687 1648 277 -303 -67 C +HETATM 823 C11 NUT A 201 -24.792 9.367 -15.038 1.00 15.99 C +ANISOU 823 C11 NUT A 201 2361 1668 2044 -45 -3 -155 C +HETATM 824 N NUT A 201 -25.707 8.251 -14.709 1.00 15.64 N +ANISOU 824 N NUT A 201 2003 1838 2100 4 -811 -79 N +HETATM 825 C12 NUT A 201 -25.194 10.617 -14.301 1.00 13.29 C +ANISOU 825 C12 NUT A 201 1863 1637 1548 132 -261 61 C +HETATM 826 C17 NUT A 201 -24.980 11.874 -14.865 1.00 14.98 C +ANISOU 826 C17 NUT A 201 1984 1418 2287 32 -363 -191 C +HETATM 827 C16 NUT A 201 -25.355 13.035 -14.145 1.00 14.37 C +ANISOU 827 C16 NUT A 201 1746 1685 2029 121 -477 -301 C +HETATM 828 C15 NUT A 201 -25.935 12.921 -12.864 1.00 14.91 C +ANISOU 828 C15 NUT A 201 2076 1661 1926 -8 -572 -400 C +HETATM 829 CL NUT A 201 -26.417 14.360 -11.915 1.00 18.16 CL +ANISOU 829 CL NUT A 201 2319 1785 2796 87 -444 -559 CL +HETATM 830 C14 NUT A 201 -26.156 11.677 -12.254 1.00 13.49 C +ANISOU 830 C14 NUT A 201 2027 1627 1470 291 -592 -256 C +HETATM 831 C13 NUT A 201 -25.791 10.528 -13.019 1.00 12.86 C +ANISOU 831 C13 NUT A 201 1829 1532 1523 54 -281 -353 C +HETATM 832 S SO4 A 202 -30.284 -1.594 -12.096 0.50 13.77 S +ANISOU 832 S SO4 A 202 2066 1664 1500 -571 -724 -244 S +HETATM 833 O1 SO4 A 202 -29.183 -2.189 -12.837 0.50 13.11 O +ANISOU 833 O1 SO4 A 202 2167 1241 1572 -773 -655 -163 O +HETATM 834 O2 SO4 A 202 -30.937 -0.509 -12.871 0.50 15.40 O +ANISOU 834 O2 SO4 A 202 2040 2226 1583 -452 -582 -115 O +HETATM 835 O3 SO4 A 202 -31.363 -2.531 -11.808 0.50 15.67 O +ANISOU 835 O3 SO4 A 202 2349 1899 1704 -773 -568 -353 O +HETATM 836 O4 SO4 A 202 -29.767 -1.053 -10.801 0.50 13.42 O +ANISOU 836 O4 SO4 A 202 2223 1473 1404 -888 -243 -436 O +HETATM 837 O HOH A 301 -32.477 2.910 -5.224 1.00 34.51 O +ANISOU 837 O HOH A 301 4486 4141 4482 330 760 -432 O +HETATM 838 O HOH A 302 -21.073 31.489 -11.536 1.00 17.23 O +ANISOU 838 O HOH A 302 2331 1973 2242 246 -115 565 O +HETATM 839 O HOH A 303 -28.315 7.881 -0.260 1.00 24.61 O +ANISOU 839 O HOH A 303 3254 3068 3029 229 -334 -370 O +HETATM 840 O HOH A 304 -11.555 25.940 -2.675 1.00 28.19 O +ANISOU 840 O HOH A 304 3214 3249 4247 -1106 -1134 -149 O +HETATM 841 O HOH A 305 -29.730 21.101 -5.749 1.00 13.16 O +ANISOU 841 O HOH A 305 1698 1615 1686 247 -146 19 O +HETATM 842 O HOH A 306 -15.713 19.652 -0.782 1.00 19.66 O +ANISOU 842 O HOH A 306 2857 2045 2565 -43 -734 -32 O +HETATM 843 O HOH A 307 -28.500 8.768 -14.299 1.00 18.91 O +ANISOU 843 O HOH A 307 2708 1626 2851 -38 -666 -371 O +HETATM 844 O HOH A 308 -25.168 25.427 -10.621 1.00 20.24 O +ANISOU 844 O HOH A 308 2953 2788 1950 242 -140 432 O +HETATM 845 O HOH A 309 -24.587 17.719 -15.272 1.00 21.13 O +ANISOU 845 O HOH A 309 3302 2548 2176 332 -205 -129 O +HETATM 846 O HOH A 310 -10.766 7.760 -0.518 1.00 28.31 O +ANISOU 846 O HOH A 310 3027 3048 4678 474 3 374 O +HETATM 847 O HOH A 311 -21.141 15.566 -17.125 1.00 29.85 O +ANISOU 847 O HOH A 311 4655 3946 2740 601 -573 -627 O +HETATM 848 O HOH A 312 -32.148 17.707 -3.033 1.00 21.56 O +ANISOU 848 O HOH A 312 3184 2036 2970 171 573 444 O +HETATM 849 O HOH A 313 -33.466 13.652 -7.152 1.00 21.11 O +ANISOU 849 O HOH A 313 2858 1808 3353 -38 25 288 O +HETATM 850 O HOH A 314 -33.854 14.693 -10.011 1.00 24.60 O +ANISOU 850 O HOH A 314 2446 2846 4055 12 -924 -521 O +HETATM 851 O HOH A 315 -25.641 29.157 -17.112 1.00 21.89 O +ANISOU 851 O HOH A 315 2699 3067 2551 11 421 336 O +HETATM 852 O HOH A 316 -35.294 15.304 -5.786 1.00 31.04 O +ANISOU 852 O HOH A 316 3191 3700 4900 -583 -110 644 O +HETATM 853 O HOH A 317 -23.175 1.109 -9.778 1.00 21.96 O +ANISOU 853 O HOH A 317 3277 2345 2720 270 -685 -569 O +HETATM 854 O HOH A 318 -23.057 30.053 -17.657 1.00 26.24 O +ANISOU 854 O HOH A 318 3865 3131 2974 132 -339 -52 O +HETATM 855 O HOH A 319 -20.580 1.417 0.149 1.00 24.10 O +ANISOU 855 O HOH A 319 3595 2609 2953 -358 -84 -3 O +HETATM 856 O HOH A 320 -32.776 -2.086 -9.425 1.00 32.27 O +ANISOU 856 O HOH A 320 4096 4343 3822 -757 -687 252 O +HETATM 857 O HOH A 321 -18.055 28.753 1.475 1.00 30.35 O +ANISOU 857 O HOH A 321 4258 4469 2804 551 -1115 -867 O +HETATM 858 O HOH A 322 -24.190 27.223 -8.864 0.50 20.53 O +ANISOU 858 O HOH A 322 2901 2331 2569 966 -469 481 O +HETATM 859 O HOH A 323 -23.655 15.375 -16.466 1.00 30.01 O +ANISOU 859 O HOH A 323 4355 3220 3824 783 -395 -304 O +HETATM 860 O HOH A 324 -15.726 27.437 1.823 1.00 22.18 O +ANISOU 860 O HOH A 324 2856 2745 2823 332 -197 378 O +HETATM 861 O HOH A 325 -11.629 27.687 -0.731 1.00 31.77 O +ANISOU 861 O HOH A 325 3130 4321 4620 -1120 -691 -506 O +HETATM 862 O HOH A 326 -19.575 22.553 -19.244 1.00 29.51 O +ANISOU 862 O HOH A 326 4268 4320 2624 1442 -7 195 O +HETATM 863 O HOH A 327 -16.548 8.467 -17.045 1.00 29.99 O +ANISOU 863 O HOH A 327 3080 3840 4474 -446 388 -456 O +HETATM 864 O HOH A 328 -13.520 28.845 1.130 1.00 24.91 O +ANISOU 864 O HOH A 328 3190 2743 3532 -405 -547 300 O +HETATM 865 O HOH A 329 -29.349 15.197 -1.178 1.00 32.78 O +ANISOU 865 O HOH A 329 3447 3782 5224 600 -925 260 O +HETATM 866 O HOH A 330 -26.516 9.472 -18.351 1.00 50.31 O +ANISOU 866 O HOH A 330 7703 6308 5103 -2268 -1195 113 O +HETATM 867 O HOH A 331 -30.647 -5.141 -11.193 1.00 35.43 O +ANISOU 867 O HOH A 331 4688 3215 5558 -915 -290 -127 O +HETATM 868 O HOH A 332 -29.739 8.406 -3.351 1.00 27.45 O +ANISOU 868 O HOH A 332 2298 4883 3249 309 434 -1055 O +HETATM 869 O HOH A 333 -32.615 18.315 -0.267 1.00 40.52 O +ANISOU 869 O HOH A 333 6030 5079 4286 809 984 942 O +HETATM 870 O HOH A 334 -18.096 10.668 -16.231 1.00 28.49 O +ANISOU 870 O HOH A 334 4670 3043 3109 -513 -835 381 O +HETATM 871 O HOH A 335 -30.545 6.891 -14.699 1.00 32.51 O +ANISOU 871 O HOH A 335 3147 3196 6009 384 -1526 -1547 O +HETATM 872 O HOH A 336 -32.667 22.729 -19.999 1.00 32.53 O +ANISOU 872 O HOH A 336 5165 4550 2643 682 -1754 426 O +HETATM 873 O HOH A 337 -36.133 21.855 -13.565 1.00 36.13 O +ANISOU 873 O HOH A 337 3511 5815 4401 2099 -422 -56 O +HETATM 874 O HOH A 338 -25.569 6.744 -18.311 1.00 28.01 O +ANISOU 874 O HOH A 338 4979 2401 3261 323 -1845 -228 O +HETATM 875 O HOH A 339 -8.396 8.049 -13.855 1.00 45.37 O +ANISOU 875 O HOH A 339 6279 5767 5191 -176 269 737 O +HETATM 876 O HOH A 340 -11.431 25.079 -6.093 1.00 32.32 O +ANISOU 876 O HOH A 340 3236 5063 3982 -1468 -562 307 O +HETATM 877 O HOH A 341 -7.181 20.220 -2.867 1.00 34.57 O +ANISOU 877 O HOH A 341 3073 4558 5502 198 185 -899 O +HETATM 878 O HOH A 342 -10.004 4.919 -0.158 1.00 50.44 O +ANISOU 878 O HOH A 342 6204 6340 6621 2196 -2392 1278 O +HETATM 879 O HOH A 343 -28.809 4.090 -1.785 1.00 32.90 O +ANISOU 879 O HOH A 343 3638 4156 4706 446 461 61 O +HETATM 880 O HOH A 344 -19.231 12.823 6.366 1.00 38.00 O +ANISOU 880 O HOH A 344 6775 4104 3556 477 -935 -599 O +HETATM 881 O HOH A 345 -18.635 20.640 3.113 1.00 32.80 O +ANISOU 881 O HOH A 345 4129 4621 3711 -373 -1433 1375 O +HETATM 882 O HOH A 346 -6.907 23.177 -3.075 1.00 44.92 O +ANISOU 882 O HOH A 346 5646 6470 4950 -2097 -501 -1141 O +HETATM 883 O HOH A 347 -19.141 27.767 3.847 1.00 37.34 O +ANISOU 883 O HOH A 347 4472 6030 3685 791 -625 1201 O +HETATM 884 O HOH A 348 -33.594 5.970 -7.211 1.00 36.08 O +ANISOU 884 O HOH A 348 2695 5361 5652 -742 -828 132 O +HETATM 885 O HOH A 349 -10.363 27.585 -5.098 1.00 43.47 O +ANISOU 885 O HOH A 349 4280 7131 5104 -2901 -449 1161 O +HETATM 886 O HOH A 350 -34.526 17.065 -3.765 1.00 31.34 O +ANISOU 886 O HOH A 350 3530 4849 3528 643 55 949 O +HETATM 887 O HOH A 351 -4.764 16.656 -11.744 1.00 37.65 O +ANISOU 887 O HOH A 351 3139 5195 5969 280 850 1057 O +HETATM 888 O HOH A 352 -35.090 20.640 -16.307 1.00 45.52 O +ANISOU 888 O HOH A 352 6261 4255 6779 -1692 -1525 -1257 O +HETATM 889 O HOH A 353 -17.124 3.085 8.159 1.00 41.49 O +ANISOU 889 O HOH A 353 5672 2939 7153 -204 -119 273 O +HETATM 890 O HOH A 354 -9.405 20.379 -16.286 1.00 41.02 O +ANISOU 890 O HOH A 354 5177 4847 5559 2138 204 529 O +HETATM 891 O HOH A 355 -5.656 14.860 -5.856 1.00 33.90 O +ANISOU 891 O HOH A 355 2167 6295 4418 164 -615 -355 O +HETATM 892 O HOH A 356 -26.202 13.562 2.174 1.00 32.86 O +ANISOU 892 O HOH A 356 3848 4175 4461 -98 -330 -65 O +HETATM 893 O HOH A 357 -9.487 9.363 -2.837 1.00 50.15 O +ANISOU 893 O HOH A 357 5017 7900 6135 -1643 -2375 987 O +HETATM 894 O HOH A 358 -35.358 11.214 -10.602 1.00 44.53 O +ANISOU 894 O HOH A 358 3633 6404 6880 -514 -2074 943 O +HETATM 895 O HOH A 359 -8.196 30.056 -7.599 1.00 51.55 O +ANISOU 895 O HOH A 359 4893 8162 6530 65 -732 1587 O +HETATM 896 O HOH A 360 -14.907 25.644 -17.050 1.00 38.67 O +ANISOU 896 O HOH A 360 5754 4282 4656 -892 1807 146 O +HETATM 897 O HOH A 361 -12.914 3.235 -2.055 1.00 35.19 O +ANISOU 897 O HOH A 361 4926 2272 6169 -60 -1323 562 O +HETATM 898 O HOH A 362 -25.253 8.876 6.253 1.00 36.55 O +ANISOU 898 O HOH A 362 5874 4510 3500 -796 1144 951 O +HETATM 899 O HOH A 363 -25.946 21.223 -20.748 1.00 44.95 O +ANISOU 899 O HOH A 363 8190 4360 4528 1877 -1029 -1023 O +HETATM 900 O HOH A 364 -25.606 17.054 -19.586 1.00 40.98 O +ANISOU 900 O HOH A 364 6687 4890 3994 -338 881 -707 O +HETATM 901 O HOH A 365 -23.867 30.951 -20.265 1.00 35.64 O +ANISOU 901 O HOH A 365 5348 4417 3775 633 719 1477 O +HETATM 902 O HOH A 366 -28.624 10.318 -17.108 1.00 40.10 O +ANISOU 902 O HOH A 366 6442 5388 3403 -351 -612 160 O +HETATM 903 O HOH A 367 -12.852 26.938 -15.528 1.00 43.55 O +ANISOU 903 O HOH A 367 5331 7146 4069 1441 1120 2072 O +HETATM 904 O HOH A 368 -11.989 1.523 -4.406 1.00 43.79 O +ANISOU 904 O HOH A 368 5596 3926 7115 1259 -2019 236 O +HETATM 905 O HOH A 369 -14.333 31.475 0.830 1.00 41.82 O +ANISOU 905 O HOH A 369 5424 3955 6509 -205 -1349 -642 O +HETATM 906 O HOH A 370 -17.552 -0.429 3.606 1.00 31.84 O +ANISOU 906 O HOH A 370 4464 2747 4887 -610 -829 667 O +HETATM 907 O HOH A 371 -20.412 4.362 5.912 1.00 41.17 O +ANISOU 907 O HOH A 371 6177 4048 5415 -173 -1354 -536 O +HETATM 908 O HOH A 372 -26.340 29.195 -19.677 1.00 35.96 O +ANISOU 908 O HOH A 372 4199 5136 4327 -377 -399 1929 O +HETATM 909 O HOH A 373 -17.876 5.529 5.038 1.00 44.48 O +ANISOU 909 O HOH A 373 6818 5474 4606 -1898 617 612 O +HETATM 910 O HOH A 374 -21.545 22.939 3.207 1.00 41.09 O +ANISOU 910 O HOH A 374 4938 6995 3679 1452 -327 -494 O +HETATM 911 O HOH A 375 -5.155 12.598 -4.137 1.00 52.93 O +ANISOU 911 O HOH A 375 6583 7587 5940 3281 -1561 -924 O +HETATM 912 O HOH A 376 -17.868 17.741 -19.527 1.00 46.26 O +ANISOU 912 O HOH A 376 7174 5611 4788 -33 -1863 2064 O +HETATM 913 O HOH A 377 -28.507 12.243 0.628 1.00 40.62 O +ANISOU 913 O HOH A 377 4008 4380 7043 -1668 749 -199 O +HETATM 914 O HOH A 378 -27.323 5.256 2.086 1.00 47.28 O +ANISOU 914 O HOH A 378 4643 8949 4371 -803 -824 2245 O +HETATM 915 O HOH A 379 -17.274 8.900 -19.929 1.00 51.37 O +ANISOU 915 O HOH A 379 7306 7331 4881 1723 831 82 O +HETATM 916 O HOH A 380 -2.647 11.654 -9.621 1.00 55.85 O +ANISOU 916 O HOH A 380 6743 4122 10356 602 905 757 O +HETATM 917 O HOH A 381 -25.077 13.669 -17.976 1.00 39.69 O +ANISOU 917 O HOH A 381 5668 5157 4253 -1282 -1001 432 O +HETATM 918 O HOH A 382 -3.705 12.473 -7.178 1.00 45.41 O +ANISOU 918 O HOH A 382 5811 3921 7519 608 -1372 -1032 O +HETATM 919 O HOH A 383 -20.580 28.794 -18.996 1.00 45.56 O +ANISOU 919 O HOH A 383 4571 8522 4217 -800 1309 -68 O +HETATM 920 O HOH A 384 -19.057 19.993 -20.347 1.00 45.70 O +ANISOU 920 O HOH A 384 6703 6822 3837 324 276 346 O +HETATM 921 O HOH A 385 -1.397 17.273 -19.788 1.00 53.73 O +ANISOU 921 O HOH A 385 9236 5997 5181 416 934 -1182 O +HETATM 922 O HOH A 386 -9.113 1.683 -2.526 1.00 53.38 O +ANISOU 922 O HOH A 386 7689 5315 7277 2133 -428 -1107 O +HETATM 923 O HOH A 387 -20.995 26.561 -20.478 1.00 43.70 O +ANISOU 923 O HOH A 387 5654 6354 4594 -939 861 -1520 O +HETATM 924 O HOH A 388 -0.317 19.473 -18.228 1.00 53.87 O +ANISOU 924 O HOH A 388 6532 7955 5978 1373 -209 849 O +HETATM 925 O HOH A 389 -15.864 2.562 -1.345 1.00 44.97 O +ANISOU 925 O HOH A 389 5124 6041 5921 -373 274 75 O +HETATM 926 O HOH A 390 -28.675 10.316 -1.608 1.00 33.55 O +ANISOU 926 O HOH A 390 5853 2668 4226 -485 -818 -806 O +HETATM 927 O HOH A 391 -29.290 15.834 -15.443 1.00 27.18 O +ANISOU 927 O HOH A 391 4908 1291 4125 903 149 -9 O +HETATM 928 O HOH A 392 -31.944 26.199 -19.260 1.00 26.05 O +ANISOU 928 O HOH A 392 2370 3523 4002 -586 687 -883 O +HETATM 929 O HOH A 393 -34.565 20.536 -11.717 1.00 22.82 O +ANISOU 929 O HOH A 393 2879 2967 2823 -567 -808 250 O +HETATM 930 O HOH A 394 -27.648 -1.487 -1.526 1.00 32.57 O +ANISOU 930 O HOH A 394 4992 4124 3257 -1093 64 -274 O +HETATM 931 O HOH A 395 -35.145 17.242 -10.864 1.00 41.48 O +ANISOU 931 O HOH A 395 4900 5597 5260 1494 -2590 -732 O +HETATM 932 O HOH A 396 -27.525 14.406 -16.717 1.00 41.22 O +ANISOU 932 O HOH A 396 3889 7188 4582 911 98 -88 O +HETATM 933 O HOH A 397 -8.370 11.218 -4.198 1.00 51.28 O +ANISOU 933 O HOH A 397 4047 7790 7648 1053 126 122 O +CONECT 792 793 +CONECT 793 792 794 801 +CONECT 794 793 795 800 +CONECT 795 794 796 +CONECT 796 795 797 798 +CONECT 797 796 +CONECT 798 796 799 +CONECT 799 798 800 +CONECT 800 794 799 +CONECT 801 793 802 815 +CONECT 802 801 803 824 +CONECT 803 802 804 806 +CONECT 804 803 805 +CONECT 805 804 812 +CONECT 806 803 807 811 +CONECT 807 806 808 +CONECT 808 807 809 810 +CONECT 809 808 +CONECT 810 808 +CONECT 811 806 812 +CONECT 812 805 811 813 +CONECT 813 812 814 +CONECT 814 813 +CONECT 815 801 816 823 +CONECT 816 815 817 822 +CONECT 817 816 818 +CONECT 818 817 819 +CONECT 819 818 820 821 +CONECT 820 819 +CONECT 821 819 822 +CONECT 822 816 821 +CONECT 823 815 824 825 +CONECT 824 802 823 +CONECT 825 823 826 831 +CONECT 826 825 827 +CONECT 827 826 828 +CONECT 828 827 829 830 +CONECT 829 828 +CONECT 830 828 831 +CONECT 831 825 830 +CONECT 832 833 834 835 836 +CONECT 833 832 +CONECT 834 832 +CONECT 835 832 +CONECT 836 832 +MASTER 308 0 2 5 4 0 7 6 886 1 45 8 +END diff --git a/data/targets/multifidelity_benchmark_D/cdk2_1h1q.pdb b/data/targets/multifidelity_benchmark_D/cdk2_1h1q.pdb new file mode 100644 index 0000000000000000000000000000000000000000..269b50a3b1aca6df6e837b90da1a1166b1c943a3 --- /dev/null +++ b/data/targets/multifidelity_benchmark_D/cdk2_1h1q.pdb @@ -0,0 +1,10178 @@ +HEADER TRANSFERASE 21-JUL-02 1H1Q +TITLE STRUCTURE OF HUMAN THR160-PHOSPHO CDK2/CYCLIN A COMPLEXED WITH THE +TITLE 2 INHIBITOR NU6094 +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: CELL DIVISION PROTEIN KINASE 2; +COMPND 3 CHAIN: A, C; +COMPND 4 SYNONYM: CYCLIN-DEPENDENT KINASE 2, P33 PROTEIN KINASE; +COMPND 5 EC: 2.7.1.-; +COMPND 6 ENGINEERED: YES; +COMPND 7 OTHER_DETAILS: PHOSPHORYLATED ON THR160; +COMPND 8 MOL_ID: 2; +COMPND 9 MOLECULE: CYCLIN A2; +COMPND 10 CHAIN: B, D; +COMPND 11 SYNONYM: CYCLIN A, CYCLIN A3; +COMPND 12 ENGINEERED: YES +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; +SOURCE 3 ORGANISM_COMMON: HUMAN; +SOURCE 4 ORGANISM_TAXID: 9606; +SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; +SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; +SOURCE 7 MOL_ID: 2; +SOURCE 8 ORGANISM_SCIENTIFIC: HOMO SAPIENS; +SOURCE 9 ORGANISM_COMMON: HUMAN; +SOURCE 10 ORGANISM_TAXID: 9606; +SOURCE 11 EXPRESSION_SYSTEM: ESCHERICHIA COLI; +SOURCE 12 EXPRESSION_SYSTEM_TAXID: 562 +KEYWDS KINASE, TRANSFERASE, SERINE/THREONINE-PROTEIN KINASE, ATP-BINDING, +KEYWDS 2 CELL CYCLE, CELL DIVISION, MITOSIS, PHOSPHORYLATION +EXPDTA X-RAY DIFFRACTION +AUTHOR T.G.DAVIES,M.E.M.NOBLE,J.A.ENDICOTT,L.N.JOHNSON +REVDAT 3 16-OCT-24 1H1Q 1 LINK +REVDAT 2 24-FEB-09 1H1Q 1 VERSN +REVDAT 1 19-SEP-02 1H1Q 0 +JRNL AUTH T.G.DAVIES,J.BENTLEY,C.E.ARRIS,F.T.BOYLE,N.J.CURTIN, +JRNL AUTH 2 J.A.ENDICOTT,A.E.GIBSON,B.T.GOLDING,R.J.GRIFFIN, +JRNL AUTH 3 I.R.HARDCASTLE,P.JEWSBURY,L.N.JOHNSON,V.MESGUICHE, +JRNL AUTH 4 D.R.NEWELL,M.E.M.NOBLE,J.A.TUCKER,L.WANG,H.J.WHITFIELD +JRNL TITL STRUCTURE-BASED DESIGN OF A POTENT PURINE-BASED +JRNL TITL 2 CYCLIN-DEPENDENT KINASE INHIBITOR +JRNL REF NAT.STRUCT.BIOL. V. 9 745 2002 +JRNL REFN ISSN 1072-8368 +JRNL PMID 12244298 +JRNL DOI 10.1038/NSB842 +REMARK 2 +REMARK 2 RESOLUTION. 2.50 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : REFMAC +REMARK 3 AUTHORS : MURSHUDOV,SKUBAK,LEBEDEV,PANNU,STEINER, +REMARK 3 : NICHOLLS,WINN,LONG,VAGIN +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.50 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 20.00 +REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL +REMARK 3 COMPLETENESS FOR RANGE (%) : 94.1 +REMARK 3 NUMBER OF REFLECTIONS : 66509 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT +REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM +REMARK 3 R VALUE (WORKING + TEST SET) : NULL +REMARK 3 R VALUE (WORKING SET) : 0.238 +REMARK 3 FREE R VALUE : 0.332 +REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 +REMARK 3 FREE R VALUE TEST SET COUNT : NULL +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 8942 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 48 +REMARK 3 SOLVENT ATOMS : 335 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : NULL +REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : NULL +REMARK 3 B22 (A**2) : NULL +REMARK 3 B33 (A**2) : NULL +REMARK 3 B12 (A**2) : NULL +REMARK 3 B13 (A**2) : NULL +REMARK 3 B23 (A**2) : NULL +REMARK 3 +REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. +REMARK 3 ESU BASED ON R VALUE (A): NULL +REMARK 3 ESU BASED ON FREE R VALUE (A): NULL +REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): NULL +REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): NULL +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. +REMARK 3 DISTANCE RESTRAINTS. RMS SIGMA +REMARK 3 BOND LENGTH (A) : NULL ; NULL +REMARK 3 ANGLE DISTANCE (A) : NULL ; NULL +REMARK 3 INTRAPLANAR 1-4 DISTANCE (A) : NULL ; NULL +REMARK 3 H-BOND OR METAL COORDINATION (A) : NULL ; NULL +REMARK 3 +REMARK 3 PLANE RESTRAINT (A) : NULL ; NULL +REMARK 3 CHIRAL-CENTER RESTRAINT (A**3) : NULL ; NULL +REMARK 3 +REMARK 3 NON-BONDED CONTACT RESTRAINTS. +REMARK 3 SINGLE TORSION (A) : NULL ; NULL +REMARK 3 MULTIPLE TORSION (A) : NULL ; NULL +REMARK 3 H-BOND (X...Y) (A) : NULL ; NULL +REMARK 3 H-BOND (X-H...Y) (A) : NULL ; NULL +REMARK 3 +REMARK 3 CONFORMATIONAL TORSION ANGLE RESTRAINTS. +REMARK 3 SPECIFIED (DEGREES) : NULL ; NULL +REMARK 3 PLANAR (DEGREES) : NULL ; NULL +REMARK 3 STAGGERED (DEGREES) : NULL ; NULL +REMARK 3 TRANSVERSE (DEGREES) : NULL ; NULL +REMARK 3 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA +REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL +REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL +REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL +REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: NONE +REMARK 4 +REMARK 4 1H1Q COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 21-JUL-02. +REMARK 100 THE DEPOSITION ID IS D_1290011151. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : NULL +REMARK 200 TEMPERATURE (KELVIN) : 100.0 +REMARK 200 PH : 7.00 +REMARK 200 NUMBER OF CRYSTALS USED : 1 +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : Y +REMARK 200 RADIATION SOURCE : ESRF +REMARK 200 BEAMLINE : ID14-4 +REMARK 200 X-RAY GENERATOR MODEL : NULL +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 0.9789 +REMARK 200 MONOCHROMATOR : NULL +REMARK 200 OPTICS : NULL +REMARK 200 +REMARK 200 DETECTOR TYPE : NULL +REMARK 200 DETECTOR MANUFACTURER : NULL +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM +REMARK 200 DATA SCALING SOFTWARE : SCALA +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 66509 +REMARK 200 RESOLUTION RANGE HIGH (A) : 2.500 +REMARK 200 RESOLUTION RANGE LOW (A) : 20.000 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 94.1 +REMARK 200 DATA REDUNDANCY : NULL +REMARK 200 R MERGE (I) : 0.07900 +REMARK 200 R SYM (I) : NULL +REMARK 200 FOR THE DATA SET : 8.2000 +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.50 +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.59 +REMARK 200 COMPLETENESS FOR SHELL (%) : 80.8 +REMARK 200 DATA REDUNDANCY IN SHELL : NULL +REMARK 200 R MERGE FOR SHELL (I) : 0.37800 +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 FOR SHELL : 1.900 +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT +REMARK 200 SOFTWARE USED: NULL +REMARK 200 STARTING MODEL: NULL +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 57.29 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.88 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: PH 7.00 +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -X+1/2,-Y,Z+1/2 +REMARK 290 3555 -X,Y+1/2,-Z+1/2 +REMARK 290 4555 X+1/2,-Y+1/2,-Z +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 36.99500 +REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 74.06000 +REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 67.36500 +REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 74.06000 +REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 36.99500 +REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 67.36500 +REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1, 2 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC +REMARK 350 SOFTWARE USED: PQS +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 +REMARK 350 BIOMOLECULE: 2 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC +REMARK 350 SOFTWARE USED: PQS +REMARK 350 APPLY THE FOLLOWING TO CHAINS: C, D +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 465 +REMARK 465 MISSING RESIDUES +REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE +REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) +REMARK 465 +REMARK 465 M RES C SSSEQI +REMARK 465 GLY A -4 +REMARK 465 PRO A -3 +REMARK 465 LEU A -2 +REMARK 465 GLY A -1 +REMARK 465 ARG A 297 +REMARK 465 LEU A 298 +REMARK 465 GLY C -4 +REMARK 465 PRO C -3 +REMARK 465 LEU C -2 +REMARK 465 GLY C -1 +REMARK 465 ARG C 297 +REMARK 465 LEU C 298 +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: COVALENT BOND ANGLES +REMARK 500 +REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES +REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE +REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) +REMARK 500 +REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 +REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 +REMARK 500 +REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 +REMARK 500 ASN A 3 CA - C - O ANGL. DEV. = -15.0 DEGREES +REMARK 500 ASN A 3 CA - C - N ANGL. DEV. = 16.5 DEGREES +REMARK 500 TYR A 19 CB - CA - C ANGL. DEV. = -13.9 DEGREES +REMARK 500 GLU A 28 OE1 - CD - OE2 ANGL. DEV. = -8.2 DEGREES +REMARK 500 ASP A 38 CA - CB - CG ANGL. DEV. = 41.8 DEGREES +REMARK 500 GLU A 40 CA - CB - CG ANGL. DEV. = 15.0 DEGREES +REMARK 500 GLU A 40 CA - C - O ANGL. DEV. = 13.2 DEGREES +REMARK 500 ARG A 50 NE - CZ - NH2 ANGL. DEV. = -4.5 DEGREES +REMARK 500 ASN A 59 CB - CA - C ANGL. DEV. = 16.7 DEGREES +REMARK 500 ASP A 68 CB - CG - OD1 ANGL. DEV. = 6.6 DEGREES +REMARK 500 PHE A 80 CA - CB - CG ANGL. DEV. = 15.2 DEGREES +REMARK 500 HIS A 84 CA - CB - CG ANGL. DEV. = -12.7 DEGREES +REMARK 500 PHE A 90 CB - CG - CD2 ANGL. DEV. = 4.5 DEGREES +REMARK 500 THR A 97 CA - CB - CG2 ANGL. DEV. = -8.5 DEGREES +REMARK 500 ARG A 122 CG - CD - NE ANGL. DEV. = 13.7 DEGREES +REMARK 500 ARG A 122 CD - NE - CZ ANGL. DEV. = 9.4 DEGREES +REMARK 500 ARG A 122 NE - CZ - NH1 ANGL. DEV. = 6.5 DEGREES +REMARK 500 ARG A 122 NE - CZ - NH2 ANGL. DEV. = -4.4 DEGREES +REMARK 500 ARG A 126 NE - CZ - NH1 ANGL. DEV. = -4.3 DEGREES +REMARK 500 ASP A 145 CB - CG - OD2 ANGL. DEV. = 5.9 DEGREES +REMARK 500 ARG A 150 O - C - N ANGL. DEV. = 10.9 DEGREES +REMARK 500 VAL A 154 CA - C - O ANGL. DEV. = -25.8 DEGREES +REMARK 500 PRO A 155 CA - N - CD ANGL. DEV. = -10.9 DEGREES +REMARK 500 PRO A 155 N - CA - CB ANGL. DEV. = 8.1 DEGREES +REMARK 500 PRO A 155 N - CD - CG ANGL. DEV. = 8.1 DEGREES +REMARK 500 ARG A 157 CB - CA - C ANGL. DEV. = -12.2 DEGREES +REMARK 500 ARG A 157 NE - CZ - NH2 ANGL. DEV. = -5.8 DEGREES +REMARK 500 TYR A 159 CB - CG - CD1 ANGL. DEV. = -5.1 DEGREES +REMARK 500 HIS A 161 CA - CB - CG ANGL. DEV. = -12.0 DEGREES +REMARK 500 GLU A 162 CB - CG - CD ANGL. DEV. = 18.1 DEGREES +REMARK 500 ARG A 169 NE - CZ - NH2 ANGL. DEV. = -5.4 DEGREES +REMARK 500 TYR A 180 N - CA - CB ANGL. DEV. = 12.5 DEGREES +REMARK 500 TYR A 180 CB - CG - CD2 ANGL. DEV. = -5.5 DEGREES +REMARK 500 TYR A 180 CB - CG - CD1 ANGL. DEV. = 4.7 DEGREES +REMARK 500 PHE A 193 CB - CG - CD1 ANGL. DEV. = 4.7 DEGREES +REMARK 500 ARG A 199 CD - NE - CZ ANGL. DEV. = 10.7 DEGREES +REMARK 500 ARG A 214 NE - CZ - NH2 ANGL. DEV. = -4.3 DEGREES +REMARK 500 ARG A 217 CD - NE - CZ ANGL. DEV. = 53.7 DEGREES +REMARK 500 ARG A 217 NE - CZ - NH1 ANGL. DEV. = -5.2 DEGREES +REMARK 500 VAL A 230 CB - CA - C ANGL. DEV. = -13.2 DEGREES +REMARK 500 GLN A 246 CA - CB - CG ANGL. DEV. = 17.3 DEGREES +REMARK 500 PRO A 253 C - N - CA ANGL. DEV. = 9.5 DEGREES +REMARK 500 ARG A 274 CD - NE - CZ ANGL. DEV. = 9.1 DEGREES +REMARK 500 HIS B 179 CA - CB - CG ANGL. DEV. = 11.4 DEGREES +REMARK 500 ARG B 187 CD - NE - CZ ANGL. DEV. = 13.1 DEGREES +REMARK 500 ARG B 187 NE - CZ - NH1 ANGL. DEV. = 3.1 DEGREES +REMARK 500 ARG B 187 NE - CZ - NH2 ANGL. DEV. = -7.0 DEGREES +REMARK 500 CYS B 193 CB - CA - C ANGL. DEV. = 17.6 DEGREES +REMARK 500 LYS B 196 CA - CB - CG ANGL. DEV. = 13.5 DEGREES +REMARK 500 TYR B 199 CB - CG - CD2 ANGL. DEV. = -4.1 DEGREES +REMARK 500 +REMARK 500 THIS ENTRY HAS 179 ANGLE DEVIATIONS. +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 GLU A 8 151.33 164.47 +REMARK 500 ASP A 38 95.82 175.76 +REMARK 500 THR A 41 -128.34 -153.22 +REMARK 500 THR A 72 -164.57 -79.17 +REMARK 500 HIS A 121 40.98 -108.53 +REMARK 500 ARG A 122 55.00 38.30 +REMARK 500 ASP A 127 35.79 -175.36 +REMARK 500 ASP A 145 86.82 56.25 +REMARK 500 PRO A 155 144.41 -34.38 +REMARK 500 GLU A 162 79.99 -62.72 +REMARK 500 VAL A 164 142.33 75.73 +REMARK 500 SER A 181 -152.82 -148.12 +REMARK 500 PHE A 248 -26.32 -35.69 +REMARK 500 PRO A 284 -17.37 -48.03 +REMARK 500 PRO B 176 44.39 -63.04 +REMARK 500 SER B 245 -13.35 -141.70 +REMARK 500 ILE B 281 15.77 -68.42 +REMARK 500 ASP B 283 57.19 36.60 +REMARK 500 ASP B 284 60.20 30.36 +REMARK 500 PRO B 324 179.76 -52.18 +REMARK 500 LEU B 348 0.59 -63.54 +REMARK 500 TRP B 372 107.58 -46.04 +REMARK 500 THR C 41 -115.01 -146.30 +REMARK 500 HIS C 121 38.99 -99.89 +REMARK 500 ASP C 127 38.19 -170.43 +REMARK 500 ASP C 145 81.00 63.76 +REMARK 500 PRO C 155 152.72 -35.74 +REMARK 500 TYR C 159 -162.94 -111.78 +REMARK 500 VAL C 164 133.67 53.60 +REMARK 500 GLU C 172 -37.68 -28.74 +REMARK 500 SER C 181 -155.54 -166.77 +REMARK 500 THR C 221 120.79 -36.64 +REMARK 500 VAL C 225 -96.63 -69.24 +REMARK 500 VAL C 226 -51.85 -19.59 +REMARK 500 ARG C 245 100.35 -41.15 +REMARK 500 ASP C 256 -177.27 -67.08 +REMARK 500 HIS C 268 117.72 -35.44 +REMARK 500 ARG C 274 108.78 -25.37 +REMARK 500 ALA C 280 0.11 -48.66 +REMARK 500 THR C 290 -164.57 -119.89 +REMARK 500 PRO D 176 96.97 -51.10 +REMARK 500 ASP D 177 -20.59 -167.45 +REMARK 500 ILE D 281 16.14 -68.19 +REMARK 500 ALA D 307 46.59 -76.48 +REMARK 500 LEU D 315 -70.57 -24.88 +REMARK 500 TYR D 318 2.40 -62.15 +REMARK 500 THR D 368 51.79 -141.73 +REMARK 500 GLN D 370 -177.57 -64.04 +REMARK 500 TRP D 372 100.77 -32.28 +REMARK 500 PRO D 373 162.16 -44.87 +REMARK 500 +REMARK 500 THIS ENTRY HAS 53 RAMACHANDRAN OUTLIERS. +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS +REMARK 500 +REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH +REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED +REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND +REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. +REMARK 500 MODEL OMEGA +REMARK 500 VAL A 154 PRO A 155 -62.23 +REMARK 500 GLN B 323 PRO B 324 -55.02 +REMARK 500 ASP B 345 PRO B 346 53.11 +REMARK 500 VAL C 154 PRO C 155 -55.79 +REMARK 500 GLN D 323 PRO D 324 -58.28 +REMARK 500 ASP D 345 PRO D 346 52.57 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY +REMARK 500 +REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY +REMARK 500 TORSION ANGLE, C(I) - CA(I) - N(I+1) - O(I), GREATER +REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME; +REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; +REMARK 500 I=INSERTION CODE). +REMARK 500 +REMARK 500 M RES CSSEQI ANGLE +REMARK 500 SER A 0 15.67 +REMARK 500 ARG A 122 -12.62 +REMARK 500 VAL A 154 -26.62 +REMARK 500 GLN B 323 -19.50 +REMARK 500 ASP B 345 26.80 +REMARK 500 SER C 0 12.24 +REMARK 500 VAL C 154 -23.88 +REMARK 500 GLN D 323 -22.67 +REMARK 500 ASP D 345 21.45 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 800 +REMARK 800 SITE +REMARK 800 SITE_IDENTIFIER: AC1 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 2A6 A1298 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC2 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 2A6 C1298 +REMARK 900 +REMARK 900 RELATED ENTRIES +REMARK 900 RELATED ID: 1AQ1 RELATED DB: PDB +REMARK 900 HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR +REMARK 900 STAUROSPORINE +REMARK 900 RELATED ID: 1B38 RELATED DB: PDB +REMARK 900 HUMAN CYCLIN-DEPENDENT KINASE 2 +REMARK 900 RELATED ID: 1B39 RELATED DB: PDB +REMARK 900 HUMAN CYCLIN-DEPENDENT KINASE 2 PHOSPHORYLATED ON THR 160 +REMARK 900 RELATED ID: 1BUH RELATED DB: PDB +REMARK 900 CRYSTAL STRUCTURE OF THE HUMAN CDK2 KINASE COMPLEX WITHCELL CYCLE- +REMARK 900 REGULATORY PROTEIN CKSHS1 +REMARK 900 RELATED ID: 1CKP RELATED DB: PDB +REMARK 900 HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR +REMARK 900 PURVALANOL B +REMARK 900 RELATED ID: 1DI8 RELATED DB: PDB +REMARK 900 THE STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 (CDK2) IN COMPLEX WITH 4- +REMARK 900 [3- HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE +REMARK 900 RELATED ID: 1DM2 RELATED DB: PDB +REMARK 900 HUMAN CYCLIN-DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR +REMARK 900 HYMENIALDISINE +REMARK 900 RELATED ID: 1E1V RELATED DB: PDB +REMARK 900 HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR NU2058 +REMARK 900 RELATED ID: 1E1X RELATED DB: PDB +REMARK 900 HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR NU6027 +REMARK 900 RELATED ID: 1E9H RELATED DB: PDB +REMARK 900 THR 160 PHOSPHORYLATED CDK2 - HUMAN CYCLIN A3 COMPLEX WITH THE +REMARK 900 INHIBITOR INDIRUBIN-5- SULPHONATE BOUND +REMARK 900 RELATED ID: 1F5Q RELATED DB: PDB +REMARK 900 CRYSTAL STRUCTURE OF MURINE GAMMA HERPESVIRUS CYCLIN COMPLEXED TO +REMARK 900 HUMAN CYCLIN DEPENDANT KINASE 2 +REMARK 900 RELATED ID: 1FIN RELATED DB: PDB +REMARK 900 CYCLIN A - CYCLIN-DEPENDENT KINASE 2 COMPLEX +REMARK 900 RELATED ID: 1FQ1 RELATED DB: PDB +REMARK 900 CRYSTAL STRUCTURE OF KINASE ASSOCIATED PHOSPHATASE (KAP) INCOMPLEX +REMARK 900 WITH PHOSPHO-CDK2 +REMARK 900 RELATED ID: 1FVT RELATED DB: PDB +REMARK 900 THE STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 (CDK2) INCOMPLEX WITH AN +REMARK 900 OXINDOLE INHIBITOR +REMARK 900 RELATED ID: 1FVV RELATED DB: PDB +REMARK 900 THE STRUCTURE OF CDK2/CYCLIN A IN COMPLEX WITH AN OXINDOLEINHIBITOR +REMARK 900 RELATED ID: 1G5S RELATED DB: PDB +REMARK 900 CRYSTAL STRUCTURE OF HUMAN CYCLIN DEPENDENT KINASE 2 (CDK2)IN +REMARK 900 COMPLEX WITH THE INHIBITOR H717 +REMARK 900 RELATED ID: 1GIH RELATED DB: PDB +REMARK 900 HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE CDK4INHIBITOR +REMARK 900 RELATED ID: 1GII RELATED DB: PDB +REMARK 900 HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE CDK4INHIBITOR +REMARK 900 RELATED ID: 1GIJ RELATED DB: PDB +REMARK 900 HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE CDK4INHIBITOR +REMARK 900 RELATED ID: 1GY3 RELATED DB: PDB +REMARK 900 PCDK2/CYCLIN A IN COMPLEX WITH MGADP, NITRATE AND PEPTIDE SUBSTRATE +REMARK 900 RELATED ID: 1GZ8 RELATED DB: PDB +REMARK 900 HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 2- +REMARK 900 AMINO-6-(3'-METHYL- 2'-OXO)BUTOXYPURINE +REMARK 900 RELATED ID: 1H00 RELATED DB: PDB +REMARK 900 CDK2 IN COMPLEX WITH A DISUBSTITUTED 4, 6 -BIS ANILINO PYRIMIDINE +REMARK 900 CDK4 INHIBITOR +REMARK 900 RELATED ID: 1H01 RELATED DB: PDB +REMARK 900 CDK2 IN COMPLEX WITH A DISUBSTITUTED 2, 4 -BIS ANILINO PYRIMIDINE +REMARK 900 CDK4 INHIBITOR +REMARK 900 RELATED ID: 1H06 RELATED DB: PDB +REMARK 900 CDK2 IN COMPLEX WITH A DISUBSTITUTED 4, 6 -BIS ANILINO PYRIMIDINE +REMARK 900 CDK4 INHIBITOR +REMARK 900 RELATED ID: 1H07 RELATED DB: PDB +REMARK 900 CDK2 IN COMPLEX WITH A DISUBSTITUTED 4, 6 -BIS ANILINO PYRIMIDINE +REMARK 900 CDK4 INHIBITOR +REMARK 900 RELATED ID: 1H08 RELATED DB: PDB +REMARK 900 CDK2 IN COMPLEX WITH A DISUBSTITUTED 2, 4 -BIS ANILINO PYRIMIDINE +REMARK 900 CDK4 INHIBITOR +REMARK 900 RELATED ID: 1H0U RELATED DB: PDB +REMARK 900 M. SMEGMATIS ARYLAMINE N-ACETYL TRANSFERASE +REMARK 900 RELATED ID: 1H0V RELATED DB: PDB +REMARK 900 HUMAN CYCLIN DEPENDENT PROTEIN KINASE 2 IN COMPLEX WITH THE +REMARK 900 INHIBITOR 2-AMINO-6-[(R )-PYRROLIDINO-5'-YL]METHOXYPURINE +REMARK 900 RELATED ID: 1H0W RELATED DB: PDB +REMARK 900 HUMAN CYCLIN DEPENDENT PROTEIN KINASE 2 IN COMPLEX WITH THE +REMARK 900 INHIBITOR 2-AMINO-6-[ CYCLOHEX-3-ENYL]METHOXYPURINE +REMARK 900 RELATED ID: 1H1P RELATED DB: PDB +REMARK 900 STRUCTURE OF HUMAN THR160-PHOSPHO CDK2/CYCLIN A COMPLEXED WITH THE +REMARK 900 INHIBITOR NU2058 +REMARK 900 RELATED ID: 1H1R RELATED DB: PDB +REMARK 900 STRUCTURE OF HUMAN THR160-PHOSPHO CDK2/CYCLIN A COMPLEXED WITH THE +REMARK 900 INHIBITOR NU6086 +REMARK 900 RELATED ID: 1H1S RELATED DB: PDB +REMARK 900 STRUCTURE OF HUMAN THR160-PHOSPHO CDK2/CYCLIN A COMPLEXED WITH THE +REMARK 900 INHIBITOR NU6102 +REMARK 900 RELATED ID: 1HCK RELATED DB: PDB +REMARK 900 HUMAN CYCLIN-DEPENDENT KINASE 2 +REMARK 900 RELATED ID: 1HCL RELATED DB: PDB +REMARK 900 HUMAN CYCLIN-DEPENDENT KINASE 2 +REMARK 900 RELATED ID: 1JST RELATED DB: PDB +REMARK 900 PHOSPHORYLATED CYCLIN-DEPENDENT KINASE-2 BOUND TO CYCLIN A +REMARK 900 RELATED ID: 1JSU RELATED DB: PDB +REMARK 900 P27(KIP1)/CYCLIN A/CDK2 COMPLEX +REMARK 900 RELATED ID: 1JSV RELATED DB: PDB +REMARK 900 THE STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 (CDK2) INCOMPLEX WITH 4- +REMARK 900 [(6-AMINO-4- PYRIMIDINYL)AMINO]BENZENESULFONAMIDE +REMARK 900 RELATED ID: 1JVP RELATED DB: PDB +REMARK 900 CRYSTAL STRUCTURE OF HUMAN CDK2 ( UNPHOSPHORYLATED) INCOMPLEX WITH +REMARK 900 PKF049-365 +REMARK 900 RELATED ID: 1KE5 RELATED DB: PDB +REMARK 900 CDK2 COMPLEXED WITH N-METHYL-4-{[(2-OXO- 1,2-DIHYDRO-3H-INDOL-3- +REMARK 900 YLIDENE)METHYL] AMINO}BENZENESULFONAMIDE +REMARK 900 RELATED ID: 1KE6 RELATED DB: PDB +REMARK 900 CYCLIN-DEPENDENT KINASE 2 (CDK2) COMPLEXED WITH N-METHYL-{4-[2-(7- +REMARK 900 OXO-6,7-DIHYDRO -8H-[1,3]THIAZOLO[5,4-E]INDOL-8- YLIDENE)HYDRAZINO] +REMARK 900 PHENYL}METHANESULFONAMIDE +REMARK 900 RELATED ID: 1KE7 RELATED DB: PDB +REMARK 900 CYCLIN-DEPENDENT KINASE 2 (CDK2) COMPLEXED WITH 3-{[(2,2-DIOXIDO-1, +REMARK 900 3-DIHYDRO-2- BENZOTHIEN-5-YL)AMINO]METHYLENE}-5-(1,3- OXAZOL-5-YL)- +REMARK 900 1,3-DIHYDRO-2H-INDOL-2- ONE +REMARK 900 RELATED ID: 1KE8 RELATED DB: PDB +REMARK 900 CYCLIN-DEPENDENT KINASE 2 (CDK2) COMPLEXED WITH 4-{[(2-OXO-1,2- +REMARK 900 DIHYDRO-3H-INDOL-3 -YLIDENE)METHYL]AMINO}-N-(1,3-THIAZOL-2- YL) +REMARK 900 BENZENESULFONAMIDE +REMARK 900 RELATED ID: 1KE9 RELATED DB: PDB +REMARK 900 CYCLIN-DEPENDENT KINASE 2 (CDK2) COMPLEXED WITH 3-{[4-({ +REMARK 900 [AMINO(IMINO)METHYL] AMINOSULFONYL)ANILINO]METHYLENE}-2-OXO-2,3- +REMARK 900 DIHYDRO-1H-INDOLE +REMARK 900 RELATED ID: 1QMZ RELATED DB: PDB +REMARK 900 PHOSPHORYLATED CDK2-CYCLYIN A-SUBSTRATE PEPTIDE COMPLEX +DBREF 1H1Q A -4 0 PDB 1H1Q 1H1Q -4 0 +DBREF 1H1Q A 1 298 UNP P24941 CDK2_HUMAN 1 298 +DBREF 1H1Q B 175 432 UNP P20248 CGA2_HUMAN 175 432 +DBREF 1H1Q C -4 0 PDB 1H1Q 1H1Q -4 0 +DBREF 1H1Q C 1 298 UNP P24941 CDK2_HUMAN 1 298 +DBREF 1H1Q D 175 432 UNP P20248 CGA2_HUMAN 175 432 +SEQRES 1 A 303 GLY PRO LEU GLY SER MET GLU ASN PHE GLN LYS VAL GLU +SEQRES 2 A 303 LYS ILE GLY GLU GLY THR TYR GLY VAL VAL TYR LYS ALA +SEQRES 3 A 303 ARG ASN LYS LEU THR GLY GLU VAL VAL ALA LEU LYS LYS +SEQRES 4 A 303 ILE ARG LEU ASP THR GLU THR GLU GLY VAL PRO SER THR +SEQRES 5 A 303 ALA ILE ARG GLU ILE SER LEU LEU LYS GLU LEU ASN HIS +SEQRES 6 A 303 PRO ASN ILE VAL LYS LEU LEU ASP VAL ILE HIS THR GLU +SEQRES 7 A 303 ASN LYS LEU TYR LEU VAL PHE GLU PHE LEU HIS GLN ASP +SEQRES 8 A 303 LEU LYS LYS PHE MET ASP ALA SER ALA LEU THR GLY ILE +SEQRES 9 A 303 PRO LEU PRO LEU ILE LYS SER TYR LEU PHE GLN LEU LEU +SEQRES 10 A 303 GLN GLY LEU ALA PHE CYS HIS SER HIS ARG VAL LEU HIS +SEQRES 11 A 303 ARG ASP LEU LYS PRO GLN ASN LEU LEU ILE ASN THR GLU +SEQRES 12 A 303 GLY ALA ILE LYS LEU ALA ASP PHE GLY LEU ALA ARG ALA +SEQRES 13 A 303 PHE GLY VAL PRO VAL ARG THR TYR TPO HIS GLU VAL VAL +SEQRES 14 A 303 THR LEU TRP TYR ARG ALA PRO GLU ILE LEU LEU GLY CYS +SEQRES 15 A 303 LYS TYR TYR SER THR ALA VAL ASP ILE TRP SER LEU GLY +SEQRES 16 A 303 CYS ILE PHE ALA GLU MET VAL THR ARG ARG ALA LEU PHE +SEQRES 17 A 303 PRO GLY ASP SER GLU ILE ASP GLN LEU PHE ARG ILE PHE +SEQRES 18 A 303 ARG THR LEU GLY THR PRO ASP GLU VAL VAL TRP PRO GLY +SEQRES 19 A 303 VAL THR SER MET PRO ASP TYR LYS PRO SER PHE PRO LYS +SEQRES 20 A 303 TRP ALA ARG GLN ASP PHE SER LYS VAL VAL PRO PRO LEU +SEQRES 21 A 303 ASP GLU ASP GLY ARG SER LEU LEU SER GLN MET LEU HIS +SEQRES 22 A 303 TYR ASP PRO ASN LYS ARG ILE SER ALA LYS ALA ALA LEU +SEQRES 23 A 303 ALA HIS PRO PHE PHE GLN ASP VAL THR LYS PRO VAL PRO +SEQRES 24 A 303 HIS LEU ARG LEU +SEQRES 1 B 258 VAL PRO ASP TYR HIS GLU ASP ILE HIS THR TYR LEU ARG +SEQRES 2 B 258 GLU MET GLU VAL LYS CYS LYS PRO LYS VAL GLY TYR MET +SEQRES 3 B 258 LYS LYS GLN PRO ASP ILE THR ASN SER MET ARG ALA ILE +SEQRES 4 B 258 LEU VAL ASP TRP LEU VAL GLU VAL GLY GLU GLU TYR LYS +SEQRES 5 B 258 LEU GLN ASN GLU THR LEU HIS LEU ALA VAL ASN TYR ILE +SEQRES 6 B 258 ASP ARG PHE LEU SER SER MET SER VAL LEU ARG GLY LYS +SEQRES 7 B 258 LEU GLN LEU VAL GLY THR ALA ALA MET LEU LEU ALA SER +SEQRES 8 B 258 LYS PHE GLU GLU ILE TYR PRO PRO GLU VAL ALA GLU PHE +SEQRES 9 B 258 VAL TYR ILE THR ASP ASP THR TYR THR LYS LYS GLN VAL +SEQRES 10 B 258 LEU ARG MET GLU HIS LEU VAL LEU LYS VAL LEU THR PHE +SEQRES 11 B 258 ASP LEU ALA ALA PRO THR VAL ASN GLN PHE LEU THR GLN +SEQRES 12 B 258 TYR PHE LEU HIS GLN GLN PRO ALA ASN CYS LYS VAL GLU +SEQRES 13 B 258 SER LEU ALA MET PHE LEU GLY GLU LEU SER LEU ILE ASP +SEQRES 14 B 258 ALA ASP PRO TYR LEU LYS TYR LEU PRO SER VAL ILE ALA +SEQRES 15 B 258 GLY ALA ALA PHE HIS LEU ALA LEU TYR THR VAL THR GLY +SEQRES 16 B 258 GLN SER TRP PRO GLU SER LEU ILE ARG LYS THR GLY TYR +SEQRES 17 B 258 THR LEU GLU SER LEU LYS PRO CYS LEU MET ASP LEU HIS +SEQRES 18 B 258 GLN THR TYR LEU LYS ALA PRO GLN HIS ALA GLN GLN SER +SEQRES 19 B 258 ILE ARG GLU LYS TYR LYS ASN SER LYS TYR HIS GLY VAL +SEQRES 20 B 258 SER LEU LEU ASN PRO PRO GLU THR LEU ASN LEU +SEQRES 1 C 303 GLY PRO LEU GLY SER MET GLU ASN PHE GLN LYS VAL GLU +SEQRES 2 C 303 LYS ILE GLY GLU GLY THR TYR GLY VAL VAL TYR LYS ALA +SEQRES 3 C 303 ARG ASN LYS LEU THR GLY GLU VAL VAL ALA LEU LYS LYS +SEQRES 4 C 303 ILE ARG LEU ASP THR GLU THR GLU GLY VAL PRO SER THR +SEQRES 5 C 303 ALA ILE ARG GLU ILE SER LEU LEU LYS GLU LEU ASN HIS +SEQRES 6 C 303 PRO ASN ILE VAL LYS LEU LEU ASP VAL ILE HIS THR GLU +SEQRES 7 C 303 ASN LYS LEU TYR LEU VAL PHE GLU PHE LEU HIS GLN ASP +SEQRES 8 C 303 LEU LYS LYS PHE MET ASP ALA SER ALA LEU THR GLY ILE +SEQRES 9 C 303 PRO LEU PRO LEU ILE LYS SER TYR LEU PHE GLN LEU LEU +SEQRES 10 C 303 GLN GLY LEU ALA PHE CYS HIS SER HIS ARG VAL LEU HIS +SEQRES 11 C 303 ARG ASP LEU LYS PRO GLN ASN LEU LEU ILE ASN THR GLU +SEQRES 12 C 303 GLY ALA ILE LYS LEU ALA ASP PHE GLY LEU ALA ARG ALA +SEQRES 13 C 303 PHE GLY VAL PRO VAL ARG THR TYR TPO HIS GLU VAL VAL +SEQRES 14 C 303 THR LEU TRP TYR ARG ALA PRO GLU ILE LEU LEU GLY CYS +SEQRES 15 C 303 LYS TYR TYR SER THR ALA VAL ASP ILE TRP SER LEU GLY +SEQRES 16 C 303 CYS ILE PHE ALA GLU MET VAL THR ARG ARG ALA LEU PHE +SEQRES 17 C 303 PRO GLY ASP SER GLU ILE ASP GLN LEU PHE ARG ILE PHE +SEQRES 18 C 303 ARG THR LEU GLY THR PRO ASP GLU VAL VAL TRP PRO GLY +SEQRES 19 C 303 VAL THR SER MET PRO ASP TYR LYS PRO SER PHE PRO LYS +SEQRES 20 C 303 TRP ALA ARG GLN ASP PHE SER LYS VAL VAL PRO PRO LEU +SEQRES 21 C 303 ASP GLU ASP GLY ARG SER LEU LEU SER GLN MET LEU HIS +SEQRES 22 C 303 TYR ASP PRO ASN LYS ARG ILE SER ALA LYS ALA ALA LEU +SEQRES 23 C 303 ALA HIS PRO PHE PHE GLN ASP VAL THR LYS PRO VAL PRO +SEQRES 24 C 303 HIS LEU ARG LEU +SEQRES 1 D 258 VAL PRO ASP TYR HIS GLU ASP ILE HIS THR TYR LEU ARG +SEQRES 2 D 258 GLU MET GLU VAL LYS CYS LYS PRO LYS VAL GLY TYR MET +SEQRES 3 D 258 LYS LYS GLN PRO ASP ILE THR ASN SER MET ARG ALA ILE +SEQRES 4 D 258 LEU VAL ASP TRP LEU VAL GLU VAL GLY GLU GLU TYR LYS +SEQRES 5 D 258 LEU GLN ASN GLU THR LEU HIS LEU ALA VAL ASN TYR ILE +SEQRES 6 D 258 ASP ARG PHE LEU SER SER MET SER VAL LEU ARG GLY LYS +SEQRES 7 D 258 LEU GLN LEU VAL GLY THR ALA ALA MET LEU LEU ALA SER +SEQRES 8 D 258 LYS PHE GLU GLU ILE TYR PRO PRO GLU VAL ALA GLU PHE +SEQRES 9 D 258 VAL TYR ILE THR ASP ASP THR TYR THR LYS LYS GLN VAL +SEQRES 10 D 258 LEU ARG MET GLU HIS LEU VAL LEU LYS VAL LEU THR PHE +SEQRES 11 D 258 ASP LEU ALA ALA PRO THR VAL ASN GLN PHE LEU THR GLN +SEQRES 12 D 258 TYR PHE LEU HIS GLN GLN PRO ALA ASN CYS LYS VAL GLU +SEQRES 13 D 258 SER LEU ALA MET PHE LEU GLY GLU LEU SER LEU ILE ASP +SEQRES 14 D 258 ALA ASP PRO TYR LEU LYS TYR LEU PRO SER VAL ILE ALA +SEQRES 15 D 258 GLY ALA ALA PHE HIS LEU ALA LEU TYR THR VAL THR GLY +SEQRES 16 D 258 GLN SER TRP PRO GLU SER LEU ILE ARG LYS THR GLY TYR +SEQRES 17 D 258 THR LEU GLU SER LEU LYS PRO CYS LEU MET ASP LEU HIS +SEQRES 18 D 258 GLN THR TYR LEU LYS ALA PRO GLN HIS ALA GLN GLN SER +SEQRES 19 D 258 ILE ARG GLU LYS TYR LYS ASN SER LYS TYR HIS GLY VAL +SEQRES 20 D 258 SER LEU LEU ASN PRO PRO GLU THR LEU ASN LEU +MODRES 1H1Q TPO A 160 THR PHOSPHOTHREONINE +MODRES 1H1Q TPO C 160 THR PHOSPHOTHREONINE +HET TPO A 160 11 +HET TPO C 160 11 +HET 2A6 A1298 24 +HET 2A6 C1298 24 +HETNAM TPO PHOSPHOTHREONINE +HETNAM 2A6 2-ANILINO-6-CYCLOHEXYLMETHOXYPURINE +HETSYN TPO PHOSPHONOTHREONINE +FORMUL 1 TPO 2(C4 H10 N O6 P) +FORMUL 5 2A6 2(C18 H21 N5 O) +FORMUL 7 HOH *335(H2 O) +HELIX 1 1 PRO A 45 LYS A 56 1 12 +HELIX 2 2 LEU A 87 ASP A 92 1 6 +HELIX 3 3 PRO A 100 HIS A 121 1 22 +HELIX 4 4 LYS A 129 GLN A 131 5 3 +HELIX 5 5 THR A 165 ARG A 169 5 5 +HELIX 6 6 ALA A 170 LEU A 175 1 6 +HELIX 7 7 THR A 182 ARG A 199 1 18 +HELIX 8 8 SER A 207 GLY A 220 1 14 +HELIX 9 9 GLY A 229 MET A 233 5 5 +HELIX 10 10 ASP A 247 VAL A 252 1 6 +HELIX 11 11 ASP A 256 LEU A 267 1 12 +HELIX 12 12 SER A 276 LEU A 281 1 6 +HELIX 13 13 ALA A 282 GLN A 287 5 6 +HELIX 14 14 TYR B 178 LYS B 194 1 17 +HELIX 15 15 GLY B 198 GLN B 203 5 6 +HELIX 16 16 THR B 207 LYS B 226 1 20 +HELIX 17 17 GLN B 228 SER B 244 1 17 +HELIX 18 18 LYS B 252 GLU B 269 1 18 +HELIX 19 19 GLU B 274 ILE B 281 1 8 +HELIX 20 20 THR B 287 LEU B 302 1 16 +HELIX 21 21 THR B 310 LEU B 320 1 11 +HELIX 22 22 ASN B 326 ASP B 343 1 18 +HELIX 23 23 ASP B 343 LEU B 348 1 6 +HELIX 24 24 LEU B 351 THR B 368 1 18 +HELIX 25 25 PRO B 373 GLY B 381 1 9 +HELIX 26 26 THR B 383 ALA B 401 1 19 +HELIX 27 27 PRO B 402 HIS B 404 5 3 +HELIX 28 28 GLN B 407 TYR B 413 1 7 +HELIX 29 29 LYS B 414 HIS B 419 5 6 +HELIX 30 30 GLY B 420 LEU B 424 5 5 +HELIX 31 31 PRO C 45 LEU C 58 1 14 +HELIX 32 32 LEU C 87 ALA C 93 1 7 +HELIX 33 33 PRO C 100 HIS C 121 1 22 +HELIX 34 34 LYS C 129 GLN C 131 5 3 +HELIX 35 35 ASP C 145 ALA C 149 5 5 +HELIX 36 36 THR C 165 ARG C 169 5 5 +HELIX 37 37 ALA C 170 LEU C 175 1 6 +HELIX 38 38 THR C 182 ARG C 199 1 18 +HELIX 39 39 SER C 207 GLY C 220 1 14 +HELIX 40 40 GLY C 229 MET C 233 5 5 +HELIX 41 41 ASP C 247 VAL C 252 1 6 +HELIX 42 42 ASP C 256 HIS C 268 1 13 +HELIX 43 43 LYS C 278 ALA C 282 5 5 +HELIX 44 44 HIS C 283 GLN C 287 5 5 +HELIX 45 45 TYR D 178 CYS D 193 1 16 +HELIX 46 46 TYR D 199 GLN D 203 5 5 +HELIX 47 47 THR D 207 LYS D 226 1 20 +HELIX 48 48 GLN D 228 SER D 244 1 17 +HELIX 49 49 LEU D 249 GLY D 251 5 3 +HELIX 50 50 LYS D 252 GLU D 269 1 18 +HELIX 51 51 GLU D 274 ILE D 281 1 8 +HELIX 52 52 THR D 287 LEU D 302 1 16 +HELIX 53 53 THR D 310 TYR D 318 1 9 +HELIX 54 54 ASN D 326 ASP D 343 1 18 +HELIX 55 55 ASP D 343 LEU D 348 1 6 +HELIX 56 56 LEU D 351 GLY D 369 1 19 +HELIX 57 57 PRO D 373 GLY D 381 1 9 +HELIX 58 58 THR D 383 LEU D 399 1 17 +HELIX 59 59 GLN D 407 TYR D 413 1 7 +SHEET 1 AA 5 PHE A 4 GLU A 12 0 +SHEET 2 AA 5 VAL A 17 ASN A 23 -1 O VAL A 18 N ILE A 10 +SHEET 3 AA 5 VAL A 29 ARG A 36 -1 O VAL A 30 N ALA A 21 +SHEET 4 AA 5 LYS A 75 GLU A 81 -1 O LEU A 76 N ILE A 35 +SHEET 5 AA 5 LEU A 66 HIS A 71 -1 N LEU A 67 O VAL A 79 +SHEET 1 AB 3 GLN A 85 ASP A 86 0 +SHEET 2 AB 3 LEU A 133 ILE A 135 -1 O ILE A 135 N GLN A 85 +SHEET 3 AB 3 ILE A 141 LEU A 143 -1 O LYS A 142 N LEU A 134 +SHEET 1 AC 2 VAL A 123 LEU A 124 0 +SHEET 2 AC 2 ARG A 150 ALA A 151 -1 O ARG A 150 N LEU A 124 +SHEET 1 CA 5 PHE C 4 GLY C 11 0 +SHEET 2 CA 5 VAL C 17 ASN C 23 -1 O VAL C 18 N ILE C 10 +SHEET 3 CA 5 VAL C 29 ARG C 36 -1 O VAL C 30 N ALA C 21 +SHEET 4 CA 5 LYS C 75 GLU C 81 -1 O LEU C 76 N ILE C 35 +SHEET 5 CA 5 LEU C 66 HIS C 71 -1 N LEU C 67 O VAL C 79 +SHEET 1 CB 3 GLN C 85 ASP C 86 0 +SHEET 2 CB 3 LEU C 133 ILE C 135 -1 O ILE C 135 N GLN C 85 +SHEET 3 CB 3 ILE C 141 LEU C 143 -1 O LYS C 142 N LEU C 134 +SHEET 1 CC 2 VAL C 123 LEU C 124 0 +SHEET 2 CC 2 ARG C 150 ALA C 151 -1 O ARG C 150 N LEU C 124 +LINK C TYR A 159 N TPO A 160 1555 1555 1.32 +LINK C TPO A 160 N HIS A 161 1555 1555 1.31 +LINK C TYR C 159 N TPO C 160 1555 1555 1.30 +LINK C TPO C 160 N HIS C 161 1555 1555 1.37 +SITE 1 AC1 14 ILE A 10 GLU A 12 ALA A 31 VAL A 64 +SITE 2 AC1 14 PHE A 80 GLU A 81 PHE A 82 LEU A 83 +SITE 3 AC1 14 HIS A 84 GLN A 85 ASP A 86 GLN A 131 +SITE 4 AC1 14 LEU A 134 HOH A2117 +SITE 1 AC2 11 GLU C 12 VAL C 18 ALA C 31 VAL C 64 +SITE 2 AC2 11 PHE C 80 GLU C 81 LEU C 83 HIS C 84 +SITE 3 AC2 11 GLN C 85 ASN C 132 LEU C 134 +CRYST1 73.990 134.730 148.120 90.00 90.00 90.00 P 21 21 21 8 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.013515 0.000000 0.000000 0.00000 +SCALE2 0.000000 0.007422 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.006751 0.00000 +ATOM 1 N SER A 0 15.014 62.327 38.533 1.00 68.83 N +ATOM 2 CA SER A 0 14.929 62.039 39.943 1.00 69.08 C +ATOM 3 C SER A 0 14.453 60.625 40.286 1.00 69.23 C +ATOM 4 O SER A 0 15.068 59.883 41.117 1.00 68.19 O +ATOM 5 CB SER A 0 14.287 63.133 40.785 1.00 67.84 C +ATOM 6 OG SER A 0 14.782 63.071 42.116 1.00 65.82 O +ATOM 7 N MET A 1 13.130 60.432 40.200 1.00 69.73 N +ATOM 8 CA MET A 1 12.606 59.065 40.237 1.00 69.38 C +ATOM 9 C MET A 1 12.761 58.471 38.846 1.00 69.00 C +ATOM 10 O MET A 1 12.276 57.410 38.506 1.00 69.33 O +ATOM 11 CB MET A 1 11.187 59.070 40.788 1.00 68.95 C +ATOM 12 CG MET A 1 11.218 59.323 42.290 1.00 68.21 C +ATOM 13 SD MET A 1 12.400 58.239 43.132 1.00 67.43 S +ATOM 14 CE MET A 1 11.324 56.842 43.464 1.00 67.62 C +ATOM 15 N GLU A 2 13.530 59.183 38.040 1.00 68.31 N +ATOM 16 CA GLU A 2 13.907 58.934 36.678 1.00 67.32 C +ATOM 17 C GLU A 2 14.212 57.478 36.335 1.00 62.93 C +ATOM 18 O GLU A 2 13.632 56.863 35.442 1.00 61.30 O +ATOM 19 CB GLU A 2 15.194 59.736 36.346 1.00 71.32 C +ATOM 20 CG GLU A 2 15.749 59.366 34.970 1.00 75.80 C +ATOM 21 CD GLU A 2 17.122 59.926 34.667 1.00 78.45 C +ATOM 22 OE1 GLU A 2 18.102 59.180 34.431 1.00 79.13 O +ATOM 23 OE2 GLU A 2 17.250 61.171 34.651 1.00 80.17 O +ATOM 24 N ASN A 3 15.225 56.982 37.040 1.00 57.96 N +ATOM 25 CA ASN A 3 15.611 55.608 36.886 1.00 53.77 C +ATOM 26 C ASN A 3 14.551 54.662 37.423 1.00 53.90 C +ATOM 27 O ASN A 3 14.813 53.550 36.904 1.00 54.87 O +ATOM 28 CB ASN A 3 16.978 55.288 37.475 1.00 51.17 C +ATOM 29 CG ASN A 3 18.045 56.269 37.059 1.00 48.26 C +ATOM 30 OD1 ASN A 3 18.016 56.807 35.951 1.00 48.72 O +ATOM 31 ND2 ASN A 3 19.027 56.563 37.896 1.00 45.15 N +ATOM 32 N PHE A 4 13.499 54.818 38.224 1.00 52.22 N +ATOM 33 CA PHE A 4 12.726 53.589 38.444 1.00 53.87 C +ATOM 34 C PHE A 4 11.573 53.437 37.469 1.00 56.64 C +ATOM 35 O PHE A 4 11.149 54.423 36.908 1.00 57.28 O +ATOM 36 CB PHE A 4 12.256 53.319 39.867 1.00 51.02 C +ATOM 37 CG PHE A 4 13.414 53.362 40.824 1.00 49.59 C +ATOM 38 CD1 PHE A 4 14.113 52.219 41.145 1.00 47.97 C +ATOM 39 CD2 PHE A 4 13.808 54.579 41.369 1.00 48.09 C +ATOM 40 CE1 PHE A 4 15.202 52.282 42.007 1.00 46.92 C +ATOM 41 CE2 PHE A 4 14.883 54.630 42.223 1.00 46.97 C +ATOM 42 CZ PHE A 4 15.578 53.479 42.550 1.00 45.90 C +ATOM 43 N GLN A 5 11.153 52.206 37.207 1.00 59.91 N +ATOM 44 CA GLN A 5 10.005 51.922 36.367 1.00 62.58 C +ATOM 45 C GLN A 5 9.021 51.226 37.323 1.00 62.88 C +ATOM 46 O GLN A 5 9.327 50.132 37.764 1.00 60.78 O +ATOM 47 CB GLN A 5 10.248 51.064 35.132 1.00 65.01 C +ATOM 48 CG GLN A 5 9.041 51.076 34.181 1.00 68.60 C +ATOM 49 CD GLN A 5 9.004 52.400 33.439 1.00 70.52 C +ATOM 50 OE1 GLN A 5 9.628 52.536 32.382 1.00 72.43 O +ATOM 51 NE2 GLN A 5 8.323 53.411 33.954 1.00 71.65 N +ATOM 52 N LYS A 6 7.975 51.927 37.709 1.00 65.69 N +ATOM 53 CA LYS A 6 6.984 51.394 38.656 1.00 68.93 C +ATOM 54 C LYS A 6 6.364 50.190 37.987 1.00 68.97 C +ATOM 55 O LYS A 6 6.259 50.149 36.762 1.00 67.05 O +ATOM 56 CB LYS A 6 6.060 52.544 39.064 1.00 71.14 C +ATOM 57 CG LYS A 6 6.767 53.682 39.802 1.00 73.98 C +ATOM 58 CD LYS A 6 6.489 53.769 41.297 1.00 75.19 C +ATOM 59 CE LYS A 6 7.093 55.010 41.930 1.00 75.32 C +ATOM 60 NZ LYS A 6 6.986 56.240 41.095 1.00 76.19 N +ATOM 61 N VAL A 7 6.101 49.095 38.670 1.00 71.53 N +ATOM 62 CA VAL A 7 5.680 47.854 38.028 1.00 74.47 C +ATOM 63 C VAL A 7 4.332 47.302 38.441 1.00 77.50 C +ATOM 64 O VAL A 7 3.755 46.454 37.748 1.00 77.24 O +ATOM 65 CB VAL A 7 6.787 46.818 38.354 1.00 73.64 C +ATOM 66 CG1 VAL A 7 6.447 45.421 37.857 1.00 73.90 C +ATOM 67 CG2 VAL A 7 8.152 47.213 37.821 1.00 72.84 C +ATOM 68 N GLU A 8 3.851 47.717 39.598 1.00 80.15 N +ATOM 69 CA GLU A 8 2.586 47.283 40.176 1.00 83.20 C +ATOM 70 C GLU A 8 2.609 47.688 41.651 1.00 83.20 C +ATOM 71 O GLU A 8 3.710 47.770 42.199 1.00 83.99 O +ATOM 72 CB GLU A 8 2.352 45.780 40.028 1.00 85.22 C +ATOM 73 CG GLU A 8 3.104 44.936 41.023 1.00 88.10 C +ATOM 74 CD GLU A 8 3.108 43.445 40.867 1.00 89.88 C +ATOM 75 OE1 GLU A 8 2.805 42.934 39.769 1.00 91.23 O +ATOM 76 OE2 GLU A 8 3.451 42.747 41.850 1.00 90.39 O +ATOM 77 N LYS A 9 1.483 47.954 42.285 1.00 82.62 N +ATOM 78 CA LYS A 9 1.498 48.329 43.700 1.00 81.57 C +ATOM 79 C LYS A 9 1.581 47.032 44.496 1.00 79.07 C +ATOM 80 O LYS A 9 1.210 46.002 43.922 1.00 78.62 O +ATOM 81 CB LYS A 9 0.233 49.082 44.001 1.00 83.59 C +ATOM 82 CG LYS A 9 -0.248 49.384 45.399 1.00 84.55 C +ATOM 83 CD LYS A 9 -1.629 50.035 45.282 1.00 86.26 C +ATOM 84 CE LYS A 9 -2.124 50.581 46.599 1.00 86.85 C +ATOM 85 NZ LYS A 9 -1.864 52.024 46.803 1.00 87.09 N +ATOM 86 N ILE A 10 2.073 47.088 45.734 1.00 76.71 N +ATOM 87 CA ILE A 10 2.068 45.875 46.530 1.00 75.11 C +ATOM 88 C ILE A 10 1.038 46.031 47.655 1.00 73.76 C +ATOM 89 O ILE A 10 0.325 45.086 47.946 1.00 72.83 O +ATOM 90 CB ILE A 10 3.356 45.448 47.229 1.00 74.66 C +ATOM 91 CG1 ILE A 10 4.538 45.660 46.303 1.00 74.33 C +ATOM 92 CG2 ILE A 10 3.237 43.992 47.693 1.00 75.34 C +ATOM 93 CD1 ILE A 10 5.867 45.783 47.003 1.00 74.61 C +ATOM 94 N GLY A 11 1.014 47.220 48.245 1.00 73.48 N +ATOM 95 CA GLY A 11 0.053 47.466 49.306 1.00 73.04 C +ATOM 96 C GLY A 11 0.392 48.646 50.197 1.00 72.38 C +ATOM 97 O GLY A 11 1.314 49.437 50.033 1.00 71.39 O +ATOM 98 N GLU A 12 -0.476 48.753 51.201 1.00 72.41 N +ATOM 99 CA GLU A 12 -0.423 49.788 52.224 1.00 72.21 C +ATOM 100 C GLU A 12 -0.137 49.157 53.581 1.00 70.42 C +ATOM 101 O GLU A 12 -0.828 48.226 53.982 1.00 70.54 O +ATOM 102 CB GLU A 12 -1.752 50.522 52.293 1.00 73.76 C +ATOM 103 CG GLU A 12 -2.299 50.852 50.911 1.00 75.39 C +ATOM 104 CD GLU A 12 -2.872 52.250 50.859 1.00 76.61 C +ATOM 105 OE1 GLU A 12 -2.976 52.896 51.924 1.00 77.91 O +ATOM 106 OE2 GLU A 12 -3.218 52.700 49.752 1.00 78.16 O +ATOM 107 N GLY A 13 0.949 49.598 54.191 1.00 68.25 N +ATOM 108 CA GLY A 13 1.365 49.054 55.476 1.00 65.79 C +ATOM 109 C GLY A 13 1.061 50.076 56.566 1.00 63.89 C +ATOM 110 O GLY A 13 0.016 50.727 56.439 1.00 63.09 O +ATOM 111 N THR A 14 1.969 50.247 57.549 1.00 61.95 N +ATOM 112 CA THR A 14 1.569 51.230 58.566 1.00 60.54 C +ATOM 113 C THR A 14 1.543 52.667 58.038 1.00 59.04 C +ATOM 114 O THR A 14 0.637 53.414 58.468 1.00 57.59 O +ATOM 115 CB THR A 14 2.130 51.142 59.980 1.00 60.05 C +ATOM 116 OG1 THR A 14 2.694 52.452 60.253 1.00 60.43 O +ATOM 117 CG2 THR A 14 3.137 50.076 60.302 1.00 59.44 C +ATOM 118 N TYR A 15 2.373 53.145 57.130 1.00 58.78 N +ATOM 119 CA TYR A 15 2.137 54.519 56.642 1.00 58.81 C +ATOM 120 C TYR A 15 2.498 54.517 55.171 1.00 58.34 C +ATOM 121 O TYR A 15 3.183 53.541 54.841 1.00 59.13 O +ATOM 122 CB TYR A 15 2.825 55.561 57.525 1.00 57.41 C +ATOM 123 CG TYR A 15 4.319 55.574 57.299 1.00 56.89 C +ATOM 124 CD1 TYR A 15 5.123 54.664 57.996 1.00 56.73 C +ATOM 125 CD2 TYR A 15 4.896 56.447 56.393 1.00 56.63 C +ATOM 126 CE1 TYR A 15 6.483 54.620 57.801 1.00 56.53 C +ATOM 127 CE2 TYR A 15 6.259 56.394 56.189 1.00 56.88 C +ATOM 128 CZ TYR A 15 7.035 55.486 56.885 1.00 57.57 C +ATOM 129 OH TYR A 15 8.393 55.459 56.671 1.00 58.66 O +ATOM 130 N GLY A 16 2.008 55.349 54.270 1.00 58.64 N +ATOM 131 CA GLY A 16 2.420 55.320 52.884 1.00 59.16 C +ATOM 132 C GLY A 16 2.122 54.127 52.012 1.00 60.47 C +ATOM 133 O GLY A 16 1.468 53.157 52.429 1.00 61.00 O +ATOM 134 N VAL A 17 2.530 54.190 50.713 1.00 60.93 N +ATOM 135 CA VAL A 17 2.209 53.068 49.824 1.00 61.27 C +ATOM 136 C VAL A 17 3.411 52.386 49.177 1.00 60.73 C +ATOM 137 O VAL A 17 4.464 52.986 48.989 1.00 60.97 O +ATOM 138 CB VAL A 17 1.167 53.461 48.764 1.00 60.98 C +ATOM 139 CG1 VAL A 17 0.839 52.272 47.858 1.00 60.95 C +ATOM 140 CG2 VAL A 17 -0.131 53.978 49.373 1.00 60.02 C +ATOM 141 N VAL A 18 3.247 51.067 48.930 1.00 58.66 N +ATOM 142 CA VAL A 18 4.358 50.276 48.365 1.00 56.35 C +ATOM 143 C VAL A 18 4.020 49.572 47.049 1.00 55.15 C +ATOM 144 O VAL A 18 3.045 48.847 46.875 1.00 33.87 O +ATOM 145 CB VAL A 18 4.914 49.296 49.418 1.00 55.06 C +ATOM 146 CG1 VAL A 18 6.215 48.682 48.930 1.00 53.53 C +ATOM 147 CG2 VAL A 18 5.116 49.998 50.743 1.00 53.37 C +ATOM 148 N TYR A 19 4.910 49.846 46.156 1.00 54.41 N +ATOM 149 CA TYR A 19 5.059 49.470 44.788 1.00 53.89 C +ATOM 150 C TYR A 19 6.331 48.681 44.509 1.00 51.56 C +ATOM 151 O TYR A 19 7.405 49.071 44.948 1.00 51.29 O +ATOM 152 CB TYR A 19 5.359 50.641 43.801 1.00 57.45 C +ATOM 153 CG TYR A 19 4.261 51.647 43.993 1.00 60.91 C +ATOM 154 CD1 TYR A 19 4.295 52.562 45.037 1.00 62.40 C +ATOM 155 CD2 TYR A 19 3.191 51.600 43.127 1.00 62.57 C +ATOM 156 CE1 TYR A 19 3.234 53.439 45.201 1.00 64.43 C +ATOM 157 CE2 TYR A 19 2.134 52.476 43.281 1.00 63.81 C +ATOM 158 CZ TYR A 19 2.171 53.379 44.324 1.00 64.78 C +ATOM 159 OH TYR A 19 1.120 54.237 44.487 1.00 65.10 O +ATOM 160 N LYS A 20 6.185 47.714 43.637 1.00 47.93 N +ATOM 161 CA LYS A 20 7.388 47.018 43.188 1.00 45.52 C +ATOM 162 C LYS A 20 7.899 47.869 42.032 1.00 43.52 C +ATOM 163 O LYS A 20 7.100 48.364 41.266 1.00 39.81 O +ATOM 164 CB LYS A 20 6.956 45.651 42.722 1.00 45.46 C +ATOM 165 CG LYS A 20 7.953 44.975 41.808 1.00 43.86 C +ATOM 166 CD LYS A 20 7.381 43.621 41.476 1.00 45.21 C +ATOM 167 CE LYS A 20 8.517 42.692 41.089 1.00 46.97 C +ATOM 168 NZ LYS A 20 7.872 41.551 40.357 1.00 48.57 N +ATOM 169 N ALA A 21 9.177 48.065 41.868 1.00 44.80 N +ATOM 170 CA ALA A 21 9.750 48.869 40.804 1.00 45.11 C +ATOM 171 C ALA A 21 11.039 48.160 40.379 1.00 45.22 C +ATOM 172 O ALA A 21 11.390 47.242 41.069 1.00 45.15 O +ATOM 173 CB ALA A 21 10.117 50.277 41.220 1.00 42.81 C +ATOM 174 N ARG A 22 11.611 48.656 39.327 1.00 47.07 N +ATOM 175 CA ARG A 22 12.789 48.218 38.677 1.00 48.34 C +ATOM 176 C ARG A 22 13.705 49.437 38.456 1.00 46.76 C +ATOM 177 O ARG A 22 13.229 50.445 37.933 1.00 45.92 O +ATOM 178 CB ARG A 22 12.583 47.782 37.227 1.00 51.64 C +ATOM 179 CG ARG A 22 11.765 46.612 36.809 1.00 56.92 C +ATOM 180 CD ARG A 22 11.547 46.593 35.284 1.00 61.24 C +ATOM 181 NE ARG A 22 12.712 47.143 34.582 1.00 63.78 N +ATOM 182 CZ ARG A 22 12.658 47.956 33.528 1.00 64.43 C +ATOM 183 NH1 ARG A 22 11.488 48.329 33.028 1.00 64.93 N +ATOM 184 NH2 ARG A 22 13.794 48.410 33.010 1.00 64.12 N +ATOM 185 N ASN A 23 14.975 49.165 38.668 1.00 45.44 N +ATOM 186 CA ASN A 23 15.958 50.220 38.361 1.00 46.72 C +ATOM 187 C ASN A 23 16.196 50.109 36.861 1.00 48.79 C +ATOM 188 O ASN A 23 16.558 49.030 36.382 1.00 49.44 O +ATOM 189 CB ASN A 23 17.162 49.958 39.247 1.00 44.62 C +ATOM 190 CG ASN A 23 18.244 50.984 39.330 1.00 41.29 C +ATOM 191 OD1 ASN A 23 18.887 51.209 38.310 1.00 41.61 O +ATOM 192 ND2 ASN A 23 18.638 51.649 40.388 1.00 38.78 N +ATOM 193 N LYS A 24 15.934 51.140 36.071 1.00 50.47 N +ATOM 194 CA LYS A 24 16.089 51.003 34.617 1.00 51.37 C +ATOM 195 C LYS A 24 17.530 50.746 34.250 1.00 50.34 C +ATOM 196 O LYS A 24 17.817 49.790 33.513 1.00 50.56 O +ATOM 197 CB LYS A 24 15.383 52.128 33.853 1.00 52.75 C +ATOM 198 CG LYS A 24 13.867 51.967 33.913 1.00 54.61 C +ATOM 199 CD LYS A 24 13.075 52.922 33.050 1.00 55.71 C +ATOM 200 CE LYS A 24 12.992 54.305 33.673 1.00 57.44 C +ATOM 201 NZ LYS A 24 12.049 55.179 32.921 1.00 58.88 N +ATOM 202 N LEU A 25 18.499 51.421 34.816 1.00 49.38 N +ATOM 203 CA LEU A 25 19.923 51.269 34.564 1.00 47.36 C +ATOM 204 C LEU A 25 20.643 50.055 35.094 1.00 46.03 C +ATOM 205 O LEU A 25 21.506 49.434 34.461 1.00 45.78 O +ATOM 206 CB LEU A 25 20.547 52.553 35.169 1.00 48.94 C +ATOM 207 CG LEU A 25 20.213 53.795 34.310 1.00 48.64 C +ATOM 208 CD1 LEU A 25 20.518 55.071 35.056 1.00 48.39 C +ATOM 209 CD2 LEU A 25 21.078 53.683 33.058 1.00 48.55 C +ATOM 210 N THR A 26 20.365 49.609 36.316 1.00 43.58 N +ATOM 211 CA THR A 26 20.993 48.484 36.949 1.00 39.75 C +ATOM 212 C THR A 26 20.109 47.236 36.932 1.00 41.58 C +ATOM 213 O THR A 26 20.620 46.160 37.313 1.00 42.04 O +ATOM 214 CB THR A 26 21.290 48.602 38.468 1.00 37.86 C +ATOM 215 OG1 THR A 26 20.067 48.498 39.226 1.00 34.86 O +ATOM 216 CG2 THR A 26 22.088 49.774 38.967 1.00 34.93 C +ATOM 217 N GLY A 27 18.800 47.294 36.738 1.00 41.35 N +ATOM 218 CA GLY A 27 18.080 46.024 36.871 1.00 41.74 C +ATOM 219 C GLY A 27 17.612 45.641 38.253 1.00 42.40 C +ATOM 220 O GLY A 27 16.825 44.682 38.307 1.00 43.41 O +ATOM 221 N GLU A 28 17.945 46.250 39.380 1.00 41.74 N +ATOM 222 CA GLU A 28 17.442 45.847 40.681 1.00 40.23 C +ATOM 223 C GLU A 28 15.933 46.022 40.737 1.00 41.01 C +ATOM 224 O GLU A 28 15.406 46.981 40.179 1.00 42.04 O +ATOM 225 CB GLU A 28 18.054 46.699 41.786 1.00 40.23 C +ATOM 226 CG GLU A 28 18.321 46.200 43.173 1.00 39.46 C +ATOM 227 CD GLU A 28 18.991 47.163 44.120 1.00 39.99 C +ATOM 228 OE1 GLU A 28 19.144 48.373 43.862 1.00 39.57 O +ATOM 229 OE2 GLU A 28 19.478 46.786 45.218 1.00 39.70 O +ATOM 230 N VAL A 29 15.269 45.112 41.425 1.00 40.20 N +ATOM 231 CA VAL A 29 13.860 45.169 41.714 1.00 39.88 C +ATOM 232 C VAL A 29 13.737 45.734 43.119 1.00 41.91 C +ATOM 233 O VAL A 29 14.325 45.304 44.125 1.00 42.67 O +ATOM 234 CB VAL A 29 13.177 43.806 41.605 1.00 39.76 C +ATOM 235 CG1 VAL A 29 11.704 43.896 41.963 1.00 38.95 C +ATOM 236 CG2 VAL A 29 13.274 43.388 40.134 1.00 41.13 C +ATOM 237 N VAL A 30 13.108 46.899 43.251 1.00 42.49 N +ATOM 238 CA VAL A 30 12.974 47.505 44.577 1.00 42.63 C +ATOM 239 C VAL A 30 11.513 47.592 44.964 1.00 42.86 C +ATOM 240 O VAL A 30 10.577 47.315 44.217 1.00 42.46 O +ATOM 241 CB VAL A 30 13.755 48.827 44.666 1.00 41.84 C +ATOM 242 CG1 VAL A 30 15.185 48.510 44.183 1.00 43.76 C +ATOM 243 CG2 VAL A 30 13.183 49.973 43.870 1.00 39.35 C +ATOM 244 N ALA A 31 11.309 47.789 46.255 1.00 44.45 N +ATOM 245 CA ALA A 31 9.984 47.988 46.851 1.00 44.31 C +ATOM 246 C ALA A 31 9.920 49.497 47.061 1.00 44.70 C +ATOM 247 O ALA A 31 10.853 49.942 47.728 1.00 43.46 O +ATOM 248 CB ALA A 31 9.995 47.234 48.154 1.00 43.68 C +ATOM 249 N LEU A 32 9.053 50.283 46.463 1.00 47.39 N +ATOM 250 CA LEU A 32 9.068 51.727 46.724 1.00 50.84 C +ATOM 251 C LEU A 32 7.942 52.041 47.719 1.00 53.38 C +ATOM 252 O LEU A 32 6.823 51.595 47.536 1.00 54.13 O +ATOM 253 CB LEU A 32 9.008 52.671 45.525 1.00 49.36 C +ATOM 254 CG LEU A 32 10.210 52.673 44.579 1.00 49.85 C +ATOM 255 CD1 LEU A 32 9.947 53.272 43.210 1.00 48.03 C +ATOM 256 CD2 LEU A 32 11.443 53.307 45.226 1.00 50.11 C +ATOM 257 N LYS A 33 8.322 52.687 48.799 1.00 57.13 N +ATOM 258 CA LYS A 33 7.474 53.195 49.863 1.00 61.46 C +ATOM 259 C LYS A 33 7.391 54.721 49.614 1.00 65.15 C +ATOM 260 O LYS A 33 8.319 55.517 49.791 1.00 62.53 O +ATOM 261 CB LYS A 33 7.981 52.918 51.272 1.00 61.55 C +ATOM 262 CG LYS A 33 7.059 52.608 52.425 1.00 62.20 C +ATOM 263 CD LYS A 33 7.762 52.398 53.761 1.00 62.60 C +ATOM 264 CE LYS A 33 6.918 51.854 54.893 1.00 63.91 C +ATOM 265 NZ LYS A 33 6.622 50.382 54.740 1.00 63.69 N +ATOM 266 N LYS A 34 6.245 55.111 49.074 1.00 71.20 N +ATOM 267 CA LYS A 34 5.965 56.500 48.750 1.00 78.03 C +ATOM 268 C LYS A 34 5.164 57.191 49.846 1.00 83.83 C +ATOM 269 O LYS A 34 4.026 56.871 50.138 1.00 83.21 O +ATOM 270 CB LYS A 34 5.235 56.578 47.420 1.00 77.82 C +ATOM 271 CG LYS A 34 5.138 57.927 46.770 1.00 78.33 C +ATOM 272 CD LYS A 34 3.835 58.650 47.004 1.00 79.07 C +ATOM 273 CE LYS A 34 3.394 59.283 45.683 1.00 79.49 C +ATOM 274 NZ LYS A 34 2.997 58.189 44.743 1.00 79.73 N +ATOM 275 N ILE A 35 5.800 58.152 50.482 1.00 93.04 N +ATOM 276 CA ILE A 35 5.240 58.953 51.555 1.00102.57 C +ATOM 277 C ILE A 35 4.857 60.323 51.013 1.00110.69 C +ATOM 278 O ILE A 35 5.728 61.107 50.638 1.00110.68 O +ATOM 279 CB ILE A 35 6.284 59.133 52.672 1.00101.69 C +ATOM 280 CG1 ILE A 35 6.724 57.751 53.151 1.00101.87 C +ATOM 281 CG2 ILE A 35 5.737 59.967 53.809 1.00101.54 C +ATOM 282 CD1 ILE A 35 8.065 57.732 53.837 1.00102.15 C +ATOM 283 N ARG A 36 3.562 60.581 50.951 1.00121.71 N +ATOM 284 CA ARG A 36 3.072 61.854 50.442 1.00132.22 C +ATOM 285 C ARG A 36 3.436 62.987 51.388 1.00136.88 C +ATOM 286 O ARG A 36 2.902 62.980 52.502 1.00137.13 O +ATOM 287 CB ARG A 36 1.551 61.800 50.299 1.00136.23 C +ATOM 288 CG ARG A 36 1.099 60.418 49.830 1.00141.45 C +ATOM 289 CD ARG A 36 0.052 60.587 48.746 1.00144.95 C +ATOM 290 NE ARG A 36 -0.011 59.427 47.864 1.00148.49 N +ATOM 291 CZ ARG A 36 -0.812 59.375 46.803 1.00150.61 C +ATOM 292 NH1 ARG A 36 -1.608 60.391 46.487 1.00151.12 N +ATOM 293 NH2 ARG A 36 -0.819 58.285 46.046 1.00150.69 N +ATOM 294 N LEU A 37 4.289 63.922 50.947 1.00142.27 N +ATOM 295 CA LEU A 37 4.567 65.006 51.908 1.00147.43 C +ATOM 296 C LEU A 37 3.324 65.879 51.884 1.00150.92 C +ATOM 297 O LEU A 37 2.299 65.480 51.323 1.00151.41 O +ATOM 298 CB LEU A 37 5.944 65.607 51.776 1.00147.89 C +ATOM 299 CG LEU A 37 7.104 64.821 52.361 1.00148.32 C +ATOM 300 CD1 LEU A 37 8.435 65.478 52.116 1.00148.23 C +ATOM 301 CD2 LEU A 37 6.869 64.290 53.756 1.00148.50 C +ATOM 302 N ASP A 38 3.310 66.979 52.589 1.00154.48 N +ATOM 303 CA ASP A 38 2.123 67.810 52.745 1.00157.35 C +ATOM 304 C ASP A 38 2.631 68.886 53.740 1.00158.19 C +ATOM 305 O ASP A 38 2.698 68.642 54.942 1.00158.62 O +ATOM 306 CB ASP A 38 0.967 67.206 53.410 1.00158.65 C +ATOM 307 CG ASP A 38 -0.151 66.290 53.533 1.00159.28 C +ATOM 308 OD1 ASP A 38 -0.683 65.741 52.540 1.00159.31 O +ATOM 309 OD2 ASP A 38 -0.624 66.049 54.682 1.00159.49 O +ATOM 310 N THR A 39 3.041 69.971 53.111 1.00158.21 N +ATOM 311 CA THR A 39 3.553 71.060 53.964 1.00157.36 C +ATOM 312 C THR A 39 2.327 71.797 54.459 1.00155.33 C +ATOM 313 O THR A 39 1.245 71.747 53.869 1.00155.57 O +ATOM 314 CB THR A 39 4.614 71.812 53.190 1.00158.12 C +ATOM 315 OG1 THR A 39 4.111 72.308 51.943 1.00158.23 O +ATOM 316 CG2 THR A 39 5.823 70.923 52.890 1.00158.38 C +ATOM 317 N GLU A 40 2.434 72.413 55.618 1.00152.23 N +ATOM 318 CA GLU A 40 1.375 73.093 56.334 1.00148.27 C +ATOM 319 C GLU A 40 0.218 72.123 56.604 1.00142.46 C +ATOM 320 O GLU A 40 -0.970 72.158 56.364 1.00142.09 O +ATOM 321 CB GLU A 40 0.968 74.450 55.868 1.00151.40 C +ATOM 322 CG GLU A 40 0.730 74.917 54.476 1.00154.13 C +ATOM 323 CD GLU A 40 -0.574 74.448 53.870 1.00155.49 C +ATOM 324 OE1 GLU A 40 -0.958 73.271 54.011 1.00156.16 O +ATOM 325 OE2 GLU A 40 -1.261 75.268 53.221 1.00156.07 O +ATOM 326 N THR A 41 0.675 71.119 57.326 1.00134.52 N +ATOM 327 CA THR A 41 0.063 69.954 57.909 1.00125.69 C +ATOM 328 C THR A 41 1.048 69.750 59.077 1.00117.39 C +ATOM 329 O THR A 41 1.393 70.765 59.693 1.00117.27 O +ATOM 330 CB THR A 41 0.100 68.725 56.995 1.00126.95 C +ATOM 331 OG1 THR A 41 -0.197 69.049 55.633 1.00126.48 O +ATOM 332 CG2 THR A 41 -0.933 67.694 57.432 1.00126.73 C +ATOM 333 N GLU A 42 1.576 68.547 59.221 1.00107.43 N +ATOM 334 CA GLU A 42 2.590 68.397 60.262 1.00 97.05 C +ATOM 335 C GLU A 42 3.964 68.220 59.640 1.00 89.37 C +ATOM 336 O GLU A 42 4.914 68.214 60.418 1.00 88.15 O +ATOM 337 CB GLU A 42 2.166 67.284 61.204 1.00 96.74 C +ATOM 338 CG GLU A 42 2.163 67.644 62.673 1.00 95.25 C +ATOM 339 CD GLU A 42 1.442 68.942 62.985 1.00 94.00 C +ATOM 340 OE1 GLU A 42 1.904 69.549 63.958 1.00 92.92 O +ATOM 341 OE2 GLU A 42 0.485 69.359 62.312 1.00 92.85 O +ATOM 342 N GLY A 43 4.111 68.130 58.320 1.00 80.65 N +ATOM 343 CA GLY A 43 5.425 67.909 57.724 1.00 70.46 C +ATOM 344 C GLY A 43 5.812 66.441 57.639 1.00 62.83 C +ATOM 345 O GLY A 43 4.946 65.600 57.375 1.00 62.70 O +ATOM 346 N VAL A 44 7.073 66.058 57.843 1.00 55.74 N +ATOM 347 CA VAL A 44 7.455 64.631 57.724 1.00 48.79 C +ATOM 348 C VAL A 44 6.906 63.912 58.952 1.00 44.98 C +ATOM 349 O VAL A 44 7.098 64.304 60.090 1.00 42.17 O +ATOM 350 CB VAL A 44 8.951 64.348 57.595 1.00 47.12 C +ATOM 351 CG1 VAL A 44 9.274 62.886 57.324 1.00 46.33 C +ATOM 352 CG2 VAL A 44 9.532 65.243 56.511 1.00 44.94 C +ATOM 353 N PRO A 45 6.134 62.878 58.687 1.00 42.53 N +ATOM 354 CA PRO A 45 5.454 62.184 59.789 1.00 42.28 C +ATOM 355 C PRO A 45 6.452 61.619 60.755 1.00 44.26 C +ATOM 356 O PRO A 45 7.632 61.406 60.370 1.00 47.80 O +ATOM 357 CB PRO A 45 4.540 61.223 59.070 1.00 40.76 C +ATOM 358 CG PRO A 45 4.581 61.535 57.618 1.00 39.70 C +ATOM 359 CD PRO A 45 5.854 62.298 57.360 1.00 39.93 C +ATOM 360 N SER A 46 6.157 61.371 62.026 1.00 44.07 N +ATOM 361 CA SER A 46 7.173 60.693 62.856 1.00 44.52 C +ATOM 362 C SER A 46 7.350 59.214 62.463 1.00 43.58 C +ATOM 363 O SER A 46 8.413 58.609 62.703 1.00 42.88 O +ATOM 364 CB SER A 46 6.641 60.736 64.287 1.00 44.58 C +ATOM 365 OG SER A 46 5.239 60.722 64.024 1.00 45.41 O +ATOM 366 N THR A 47 6.313 58.605 61.876 1.00 41.37 N +ATOM 367 CA THR A 47 6.419 57.199 61.495 1.00 41.83 C +ATOM 368 C THR A 47 7.532 57.048 60.475 1.00 39.33 C +ATOM 369 O THR A 47 8.422 56.234 60.670 1.00 39.16 O +ATOM 370 CB THR A 47 5.110 56.525 61.057 1.00 42.54 C +ATOM 371 OG1 THR A 47 4.870 57.054 59.760 1.00 43.01 O +ATOM 372 CG2 THR A 47 3.891 56.793 61.912 1.00 44.13 C +ATOM 373 N ALA A 48 7.648 57.872 59.470 1.00 39.86 N +ATOM 374 CA ALA A 48 8.738 58.002 58.510 1.00 38.64 C +ATOM 375 C ALA A 48 10.005 58.509 59.182 1.00 37.18 C +ATOM 376 O ALA A 48 11.044 57.926 58.873 1.00 39.34 O +ATOM 377 CB ALA A 48 8.380 58.883 57.313 1.00 37.94 C +ATOM 378 N ILE A 49 10.035 59.457 60.097 1.00 36.50 N +ATOM 379 CA ILE A 49 11.293 59.742 60.800 1.00 35.87 C +ATOM 380 C ILE A 49 11.740 58.561 61.653 1.00 36.62 C +ATOM 381 O ILE A 49 12.967 58.392 61.735 1.00 36.76 O +ATOM 382 CB ILE A 49 11.102 60.968 61.679 1.00 35.85 C +ATOM 383 CG1 ILE A 49 11.596 62.216 60.928 1.00 36.50 C +ATOM 384 CG2 ILE A 49 11.659 60.944 63.076 1.00 35.59 C +ATOM 385 CD1 ILE A 49 10.323 63.042 60.731 1.00 37.33 C +ATOM 386 N ARG A 50 10.910 57.770 62.351 1.00 36.04 N +ATOM 387 CA ARG A 50 11.537 56.704 63.152 1.00 35.67 C +ATOM 388 C ARG A 50 12.144 55.618 62.265 1.00 35.18 C +ATOM 389 O ARG A 50 13.325 55.325 62.370 1.00 34.59 O +ATOM 390 CB ARG A 50 10.637 56.059 64.207 1.00 33.39 C +ATOM 391 CG ARG A 50 10.326 57.067 65.307 1.00 32.26 C +ATOM 392 CD ARG A 50 8.918 56.698 65.838 1.00 31.89 C +ATOM 393 NE ARG A 50 8.778 57.458 67.074 1.00 32.13 N +ATOM 394 CZ ARG A 50 7.880 57.265 68.021 1.00 31.83 C +ATOM 395 NH1 ARG A 50 6.974 56.290 67.883 1.00 30.44 N +ATOM 396 NH2 ARG A 50 7.936 58.106 69.052 1.00 29.96 N +ATOM 397 N GLU A 51 11.362 55.083 61.346 1.00 34.95 N +ATOM 398 CA GLU A 51 11.702 54.046 60.423 1.00 35.35 C +ATOM 399 C GLU A 51 12.970 54.221 59.601 1.00 37.08 C +ATOM 400 O GLU A 51 13.724 53.276 59.446 1.00 36.43 O +ATOM 401 CB GLU A 51 10.526 53.905 59.425 1.00 34.95 C +ATOM 402 CG GLU A 51 10.910 52.903 58.345 1.00 35.56 C +ATOM 403 CD GLU A 51 9.783 52.283 57.607 1.00 35.82 C +ATOM 404 OE1 GLU A 51 8.863 52.964 57.178 1.00 34.81 O +ATOM 405 OE2 GLU A 51 9.803 51.039 57.432 1.00 40.26 O +ATOM 406 N ILE A 52 13.024 55.355 58.888 1.00 38.29 N +ATOM 407 CA ILE A 52 14.180 55.750 58.123 1.00 37.56 C +ATOM 408 C ILE A 52 15.402 55.843 59.040 1.00 38.22 C +ATOM 409 O ILE A 52 16.434 55.234 58.716 1.00 39.57 O +ATOM 410 CB ILE A 52 14.038 57.167 57.504 1.00 35.39 C +ATOM 411 CG1 ILE A 52 12.870 57.160 56.545 1.00 33.57 C +ATOM 412 CG2 ILE A 52 15.339 57.555 56.828 1.00 34.74 C +ATOM 413 CD1 ILE A 52 12.910 58.068 55.364 1.00 30.16 C +ATOM 414 N SER A 53 15.326 56.555 60.158 1.00 37.34 N +ATOM 415 CA SER A 53 16.549 56.628 60.969 1.00 38.17 C +ATOM 416 C SER A 53 16.900 55.309 61.675 1.00 37.69 C +ATOM 417 O SER A 53 18.082 55.087 61.962 1.00 35.80 O +ATOM 418 CB SER A 53 16.603 57.755 61.980 1.00 37.41 C +ATOM 419 OG SER A 53 15.539 57.826 62.868 1.00 38.30 O +ATOM 420 N LEU A 54 15.903 54.488 61.991 1.00 37.56 N +ATOM 421 CA LEU A 54 16.222 53.255 62.701 1.00 38.44 C +ATOM 422 C LEU A 54 16.631 52.210 61.670 1.00 38.39 C +ATOM 423 O LEU A 54 17.642 51.556 61.940 1.00 35.74 O +ATOM 424 CB LEU A 54 15.162 52.749 63.680 1.00 37.07 C +ATOM 425 CG LEU A 54 14.725 53.744 64.748 1.00 36.60 C +ATOM 426 CD1 LEU A 54 13.560 53.227 65.579 1.00 35.72 C +ATOM 427 CD2 LEU A 54 15.892 54.118 65.654 1.00 36.16 C +ATOM 428 N LEU A 55 15.929 52.099 60.539 1.00 39.04 N +ATOM 429 CA LEU A 55 16.318 51.122 59.536 1.00 40.26 C +ATOM 430 C LEU A 55 17.715 51.239 58.950 1.00 43.31 C +ATOM 431 O LEU A 55 18.251 50.227 58.508 1.00 43.95 O +ATOM 432 CB LEU A 55 15.301 51.079 58.414 1.00 38.51 C +ATOM 433 CG LEU A 55 14.511 49.785 58.169 1.00 36.94 C +ATOM 434 CD1 LEU A 55 14.553 48.863 59.356 1.00 35.11 C +ATOM 435 CD2 LEU A 55 13.094 50.163 57.804 1.00 35.91 C +ATOM 436 N LYS A 56 18.386 52.366 58.917 1.00 46.37 N +ATOM 437 CA LYS A 56 19.706 52.590 58.399 1.00 49.45 C +ATOM 438 C LYS A 56 20.819 52.263 59.394 1.00 50.62 C +ATOM 439 O LYS A 56 21.987 52.567 59.200 1.00 50.63 O +ATOM 440 CB LYS A 56 19.855 54.076 58.068 1.00 50.90 C +ATOM 441 CG LYS A 56 18.966 54.736 57.034 1.00 52.35 C +ATOM 442 CD LYS A 56 18.995 56.251 57.219 1.00 52.48 C +ATOM 443 CE LYS A 56 20.002 56.921 56.311 1.00 54.22 C +ATOM 444 NZ LYS A 56 21.415 56.925 56.744 1.00 54.04 N +ATOM 445 N GLU A 57 20.445 51.786 60.566 1.00 51.66 N +ATOM 446 CA GLU A 57 21.283 51.409 61.687 1.00 50.48 C +ATOM 447 C GLU A 57 21.192 49.882 61.793 1.00 48.95 C +ATOM 448 O GLU A 57 22.150 49.195 62.068 1.00 49.65 O +ATOM 449 CB GLU A 57 20.858 52.000 63.017 1.00 50.27 C +ATOM 450 CG GLU A 57 21.668 53.186 63.498 1.00 50.57 C +ATOM 451 CD GLU A 57 21.147 53.722 64.828 1.00 50.18 C +ATOM 452 OE1 GLU A 57 21.314 53.212 65.953 1.00 49.95 O +ATOM 453 OE2 GLU A 57 20.504 54.773 64.723 1.00 49.12 O +ATOM 454 N LEU A 58 20.027 49.387 61.440 1.00 47.58 N +ATOM 455 CA LEU A 58 19.718 47.991 61.377 1.00 45.08 C +ATOM 456 C LEU A 58 20.175 47.355 60.092 1.00 44.79 C +ATOM 457 O LEU A 58 19.283 47.002 59.336 1.00 46.12 O +ATOM 458 CB LEU A 58 18.190 47.803 61.517 1.00 43.71 C +ATOM 459 CG LEU A 58 17.724 48.432 62.834 1.00 43.70 C +ATOM 460 CD1 LEU A 58 16.247 48.366 63.092 1.00 42.21 C +ATOM 461 CD2 LEU A 58 18.497 47.783 63.991 1.00 43.14 C +ATOM 462 N ASN A 59 21.456 47.063 59.885 1.00 45.26 N +ATOM 463 CA ASN A 59 21.618 46.309 58.615 1.00 45.96 C +ATOM 464 C ASN A 59 21.999 44.889 58.977 1.00 44.11 C +ATOM 465 O ASN A 59 22.896 44.465 59.705 1.00 41.73 O +ATOM 466 CB ASN A 59 22.345 47.232 57.670 1.00 51.17 C +ATOM 467 CG ASN A 59 23.739 46.662 57.599 1.00 55.51 C +ATOM 468 OD1 ASN A 59 24.302 46.530 58.701 1.00 58.94 O +ATOM 469 ND2 ASN A 59 24.064 46.316 56.363 1.00 56.55 N +ATOM 470 N HIS A 60 21.078 44.010 58.537 1.00 40.93 N +ATOM 471 CA HIS A 60 21.114 42.593 58.876 1.00 36.17 C +ATOM 472 C HIS A 60 20.350 41.766 57.876 1.00 35.65 C +ATOM 473 O HIS A 60 19.333 42.090 57.266 1.00 37.79 O +ATOM 474 CB HIS A 60 20.551 42.448 60.287 1.00 34.20 C +ATOM 475 CG HIS A 60 20.460 41.050 60.797 1.00 32.05 C +ATOM 476 ND1 HIS A 60 21.405 40.533 61.643 1.00 31.10 N +ATOM 477 CD2 HIS A 60 19.579 40.045 60.556 1.00 30.97 C +ATOM 478 CE1 HIS A 60 21.132 39.280 61.930 1.00 30.30 C +ATOM 479 NE2 HIS A 60 20.033 38.965 61.270 1.00 31.81 N +ATOM 480 N PRO A 61 20.780 40.531 57.690 1.00 35.19 N +ATOM 481 CA PRO A 61 20.188 39.652 56.700 1.00 35.26 C +ATOM 482 C PRO A 61 18.688 39.475 56.866 1.00 35.33 C +ATOM 483 O PRO A 61 18.012 39.058 55.920 1.00 36.43 O +ATOM 484 CB PRO A 61 20.918 38.321 56.957 1.00 35.20 C +ATOM 485 CG PRO A 61 22.125 38.561 57.768 1.00 31.48 C +ATOM 486 CD PRO A 61 21.994 39.922 58.310 1.00 33.44 C +ATOM 487 N ASN A 62 18.143 39.583 58.071 1.00 32.01 N +ATOM 488 CA ASN A 62 16.765 39.364 58.338 1.00 31.01 C +ATOM 489 C ASN A 62 16.030 40.639 58.682 1.00 31.74 C +ATOM 490 O ASN A 62 14.893 40.476 59.106 1.00 32.48 O +ATOM 491 CB ASN A 62 16.547 38.350 59.472 1.00 30.38 C +ATOM 492 CG ASN A 62 17.339 37.129 59.018 1.00 29.38 C +ATOM 493 OD1 ASN A 62 18.387 36.966 59.634 1.00 29.62 O +ATOM 494 ND2 ASN A 62 16.900 36.412 58.011 1.00 28.39 N +ATOM 495 N ILE A 63 16.663 41.786 58.488 1.00 31.35 N +ATOM 496 CA ILE A 63 15.898 43.014 58.652 1.00 31.64 C +ATOM 497 C ILE A 63 15.854 43.506 57.197 1.00 33.18 C +ATOM 498 O ILE A 63 16.916 43.409 56.567 1.00 31.66 O +ATOM 499 CB ILE A 63 16.509 44.056 59.586 1.00 31.70 C +ATOM 500 CG1 ILE A 63 16.394 43.539 61.022 1.00 31.72 C +ATOM 501 CG2 ILE A 63 15.835 45.403 59.439 1.00 30.64 C +ATOM 502 CD1 ILE A 63 16.997 44.250 62.175 1.00 30.11 C +ATOM 503 N VAL A 64 14.672 43.827 56.695 1.00 34.36 N +ATOM 504 CA VAL A 64 14.629 44.395 55.362 1.00 36.95 C +ATOM 505 C VAL A 64 15.641 45.561 55.298 1.00 37.17 C +ATOM 506 O VAL A 64 15.699 46.422 56.161 1.00 37.38 O +ATOM 507 CB VAL A 64 13.295 45.020 54.935 1.00 36.47 C +ATOM 508 CG1 VAL A 64 13.443 46.042 53.807 1.00 38.90 C +ATOM 509 CG2 VAL A 64 12.460 43.900 54.339 1.00 35.50 C +ATOM 510 N LYS A 65 16.242 45.653 54.134 1.00 37.00 N +ATOM 511 CA LYS A 65 17.223 46.673 53.862 1.00 36.94 C +ATOM 512 C LYS A 65 16.698 47.926 53.187 1.00 35.22 C +ATOM 513 O LYS A 65 16.251 47.924 52.060 1.00 32.11 O +ATOM 514 CB LYS A 65 18.274 45.966 52.985 1.00 36.92 C +ATOM 515 CG LYS A 65 19.570 46.739 53.004 1.00 39.74 C +ATOM 516 CD LYS A 65 20.678 46.001 52.228 1.00 42.95 C +ATOM 517 CE LYS A 65 21.789 47.025 52.059 1.00 45.18 C +ATOM 518 NZ LYS A 65 23.194 46.563 52.084 1.00 47.58 N +ATOM 519 N LEU A 66 16.858 49.067 53.865 1.00 35.89 N +ATOM 520 CA LEU A 66 16.446 50.312 53.243 1.00 37.26 C +ATOM 521 C LEU A 66 17.696 50.818 52.527 1.00 37.83 C +ATOM 522 O LEU A 66 18.701 51.202 53.066 1.00 38.94 O +ATOM 523 CB LEU A 66 15.846 51.308 54.197 1.00 38.33 C +ATOM 524 CG LEU A 66 15.917 52.771 53.699 1.00 38.65 C +ATOM 525 CD1 LEU A 66 14.638 53.066 52.938 1.00 36.37 C +ATOM 526 CD2 LEU A 66 16.240 53.634 54.906 1.00 39.42 C +ATOM 527 N LEU A 67 17.574 50.692 51.221 1.00 39.34 N +ATOM 528 CA LEU A 67 18.557 51.043 50.225 1.00 39.76 C +ATOM 529 C LEU A 67 18.686 52.535 50.001 1.00 40.17 C +ATOM 530 O LEU A 67 19.832 52.907 49.777 1.00 38.86 O +ATOM 531 CB LEU A 67 18.170 50.363 48.889 1.00 37.51 C +ATOM 532 CG LEU A 67 18.246 48.837 48.955 1.00 37.18 C +ATOM 533 CD1 LEU A 67 17.798 48.268 47.628 1.00 36.26 C +ATOM 534 CD2 LEU A 67 19.637 48.343 49.371 1.00 35.81 C +ATOM 535 N ASP A 68 17.627 53.340 50.116 1.00 41.90 N +ATOM 536 CA ASP A 68 17.832 54.764 49.851 1.00 45.00 C +ATOM 537 C ASP A 68 16.671 55.648 50.233 1.00 46.49 C +ATOM 538 O ASP A 68 15.602 55.166 50.582 1.00 44.64 O +ATOM 539 CB ASP A 68 18.067 54.841 48.319 1.00 44.78 C +ATOM 540 CG ASP A 68 18.701 56.111 47.844 1.00 45.45 C +ATOM 541 OD1 ASP A 68 19.267 56.947 48.582 1.00 45.89 O +ATOM 542 OD2 ASP A 68 18.681 56.364 46.617 1.00 47.08 O +ATOM 543 N VAL A 69 16.790 56.965 50.194 1.00 50.32 N +ATOM 544 CA VAL A 69 15.716 57.892 50.502 1.00 54.95 C +ATOM 545 C VAL A 69 15.806 59.064 49.526 1.00 61.17 C +ATOM 546 O VAL A 69 16.747 59.847 49.621 1.00 59.82 O +ATOM 547 CB VAL A 69 15.747 58.483 51.922 1.00 52.03 C +ATOM 548 CG1 VAL A 69 14.464 59.272 52.177 1.00 50.56 C +ATOM 549 CG2 VAL A 69 15.984 57.481 53.016 1.00 50.17 C +ATOM 550 N ILE A 70 14.864 59.128 48.616 1.00 71.16 N +ATOM 551 CA ILE A 70 14.804 60.184 47.575 1.00 81.15 C +ATOM 552 C ILE A 70 13.921 61.262 48.186 1.00 88.94 C +ATOM 553 O ILE A 70 12.743 61.021 48.454 1.00 88.92 O +ATOM 554 CB ILE A 70 14.362 59.509 46.273 1.00 80.84 C +ATOM 555 CG1 ILE A 70 15.483 58.557 45.805 1.00 80.23 C +ATOM 556 CG2 ILE A 70 14.020 60.479 45.167 1.00 80.12 C +ATOM 557 CD1 ILE A 70 15.009 57.447 44.893 1.00 80.13 C +ATOM 558 N HIS A 71 14.546 62.369 48.590 1.00 99.14 N +ATOM 559 CA HIS A 71 13.908 63.388 49.393 1.00109.13 C +ATOM 560 C HIS A 71 13.352 64.623 48.725 1.00113.71 C +ATOM 561 O HIS A 71 13.921 65.706 48.873 1.00114.43 O +ATOM 562 CB HIS A 71 14.911 63.860 50.484 1.00112.32 C +ATOM 563 CG HIS A 71 14.230 64.476 51.669 1.00115.05 C +ATOM 564 ND1 HIS A 71 14.897 65.128 52.678 1.00115.95 N +ATOM 565 CD2 HIS A 71 12.913 64.528 51.992 1.00115.95 C +ATOM 566 CE1 HIS A 71 14.030 65.542 53.582 1.00116.63 C +ATOM 567 NE2 HIS A 71 12.812 65.194 53.186 1.00116.83 N +ATOM 568 N THR A 72 12.180 64.498 48.118 1.00119.57 N +ATOM 569 CA THR A 72 11.617 65.694 47.462 1.00124.42 C +ATOM 570 C THR A 72 10.971 66.624 48.474 1.00127.10 C +ATOM 571 O THR A 72 11.224 66.615 49.678 1.00126.81 O +ATOM 572 CB THR A 72 10.811 65.186 46.264 1.00124.46 C +ATOM 573 OG1 THR A 72 11.491 64.036 45.707 1.00124.77 O +ATOM 574 CG2 THR A 72 10.709 66.181 45.121 1.00124.90 C +ATOM 575 N GLU A 73 10.167 67.556 47.987 1.00129.80 N +ATOM 576 CA GLU A 73 9.471 68.627 48.685 1.00131.30 C +ATOM 577 C GLU A 73 7.962 68.418 48.745 1.00129.20 C +ATOM 578 O GLU A 73 7.196 69.088 49.438 1.00129.63 O +ATOM 579 CB GLU A 73 9.824 69.899 47.904 1.00134.31 C +ATOM 580 CG GLU A 73 9.044 71.176 48.079 1.00136.98 C +ATOM 581 CD GLU A 73 9.023 72.035 46.824 1.00138.22 C +ATOM 582 OE1 GLU A 73 7.985 72.046 46.127 1.00138.68 O +ATOM 583 OE2 GLU A 73 10.028 72.706 46.509 1.00138.74 O +ATOM 584 N ASN A 74 7.495 67.444 47.966 1.00125.47 N +ATOM 585 CA ASN A 74 6.116 67.037 47.820 1.00120.60 C +ATOM 586 C ASN A 74 5.897 65.582 48.259 1.00114.18 C +ATOM 587 O ASN A 74 4.908 65.128 48.807 1.00113.73 O +ATOM 588 CB ASN A 74 5.684 67.005 46.352 1.00122.85 C +ATOM 589 CG ASN A 74 6.440 67.874 45.386 1.00124.20 C +ATOM 590 OD1 ASN A 74 7.585 67.661 44.980 1.00124.78 O +ATOM 591 ND2 ASN A 74 5.735 68.930 44.979 1.00125.21 N +ATOM 592 N LYS A 75 6.897 64.796 47.893 1.00106.02 N +ATOM 593 CA LYS A 75 7.011 63.380 48.096 1.00 97.19 C +ATOM 594 C LYS A 75 8.317 62.947 48.761 1.00 88.37 C +ATOM 595 O LYS A 75 9.379 63.486 48.461 1.00 87.80 O +ATOM 596 CB LYS A 75 7.053 62.658 46.742 1.00 99.65 C +ATOM 597 CG LYS A 75 5.745 62.238 46.141 1.00100.99 C +ATOM 598 CD LYS A 75 4.978 63.340 45.442 1.00102.67 C +ATOM 599 CE LYS A 75 3.845 62.813 44.577 1.00104.46 C +ATOM 600 NZ LYS A 75 4.338 62.264 43.282 1.00104.07 N +ATOM 601 N LEU A 76 8.238 61.892 49.559 1.00 78.00 N +ATOM 602 CA LEU A 76 9.463 61.302 50.115 1.00 67.79 C +ATOM 603 C LEU A 76 9.405 59.835 49.717 1.00 61.57 C +ATOM 604 O LEU A 76 8.377 59.218 49.973 1.00 58.89 O +ATOM 605 CB LEU A 76 9.511 61.598 51.582 1.00 66.90 C +ATOM 606 CG LEU A 76 10.295 60.887 52.663 1.00 65.18 C +ATOM 607 CD1 LEU A 76 11.648 61.500 52.911 1.00 64.56 C +ATOM 608 CD2 LEU A 76 9.496 60.965 53.966 1.00 65.93 C +ATOM 609 N TYR A 77 10.390 59.277 49.016 1.00 55.96 N +ATOM 610 CA TYR A 77 10.353 57.878 48.657 1.00 50.33 C +ATOM 611 C TYR A 77 11.351 57.047 49.448 1.00 47.24 C +ATOM 612 O TYR A 77 12.502 57.436 49.496 1.00 45.08 O +ATOM 613 CB TYR A 77 10.787 57.549 47.231 1.00 49.81 C +ATOM 614 CG TYR A 77 9.714 57.973 46.264 1.00 49.15 C +ATOM 615 CD1 TYR A 77 8.698 57.089 45.954 1.00 50.58 C +ATOM 616 CD2 TYR A 77 9.712 59.234 45.718 1.00 49.22 C +ATOM 617 CE1 TYR A 77 7.711 57.436 45.047 1.00 51.09 C +ATOM 618 CE2 TYR A 77 8.707 59.611 44.863 1.00 50.97 C +ATOM 619 CZ TYR A 77 7.718 58.709 44.528 1.00 51.03 C +ATOM 620 OH TYR A 77 6.737 59.104 43.658 1.00 52.76 O +ATOM 621 N LEU A 78 10.892 55.908 49.976 1.00 45.17 N +ATOM 622 CA LEU A 78 11.864 55.060 50.657 1.00 42.51 C +ATOM 623 C LEU A 78 12.083 53.892 49.677 1.00 40.59 C +ATOM 624 O LEU A 78 11.088 53.295 49.274 1.00 38.04 O +ATOM 625 CB LEU A 78 11.477 54.488 51.989 1.00 43.42 C +ATOM 626 CG LEU A 78 10.902 55.329 53.114 1.00 45.15 C +ATOM 627 CD1 LEU A 78 11.585 54.943 54.434 1.00 45.22 C +ATOM 628 CD2 LEU A 78 11.049 56.830 52.933 1.00 45.51 C +ATOM 629 N VAL A 79 13.349 53.651 49.395 1.00 38.69 N +ATOM 630 CA VAL A 79 13.793 52.620 48.506 1.00 36.69 C +ATOM 631 C VAL A 79 14.259 51.408 49.296 1.00 37.55 C +ATOM 632 O VAL A 79 15.155 51.448 50.137 1.00 37.38 O +ATOM 633 CB VAL A 79 14.920 53.113 47.582 1.00 36.65 C +ATOM 634 CG1 VAL A 79 15.353 52.048 46.566 1.00 34.42 C +ATOM 635 CG2 VAL A 79 14.463 54.374 46.860 1.00 34.81 C +ATOM 636 N PHE A 80 13.640 50.279 48.925 1.00 37.44 N +ATOM 637 CA PHE A 80 13.933 49.069 49.647 1.00 38.18 C +ATOM 638 C PHE A 80 14.230 47.841 48.794 1.00 39.75 C +ATOM 639 O PHE A 80 13.725 47.694 47.691 1.00 40.24 O +ATOM 640 CB PHE A 80 12.730 48.789 50.514 1.00 37.11 C +ATOM 641 CG PHE A 80 12.241 49.526 51.695 1.00 36.48 C +ATOM 642 CD1 PHE A 80 11.114 50.320 51.671 1.00 36.55 C +ATOM 643 CD2 PHE A 80 12.886 49.385 52.931 1.00 36.02 C +ATOM 644 CE1 PHE A 80 10.660 50.964 52.823 1.00 36.78 C +ATOM 645 CE2 PHE A 80 12.443 49.998 54.070 1.00 34.72 C +ATOM 646 CZ PHE A 80 11.318 50.800 54.034 1.00 35.00 C +ATOM 647 N GLU A 81 15.031 46.974 49.426 1.00 39.29 N +ATOM 648 CA GLU A 81 15.335 45.663 48.882 1.00 40.01 C +ATOM 649 C GLU A 81 13.946 45.022 48.707 1.00 41.04 C +ATOM 650 O GLU A 81 13.079 45.132 49.600 1.00 39.75 O +ATOM 651 CB GLU A 81 16.237 44.914 49.839 1.00 38.33 C +ATOM 652 CG GLU A 81 15.519 43.996 50.806 1.00 37.78 C +ATOM 653 CD GLU A 81 16.423 42.919 51.343 1.00 38.57 C +ATOM 654 OE1 GLU A 81 17.200 42.299 50.583 1.00 40.57 O +ATOM 655 OE2 GLU A 81 16.415 42.739 52.569 1.00 38.38 O +ATOM 656 N PHE A 82 13.709 44.464 47.522 1.00 40.83 N +ATOM 657 CA PHE A 82 12.346 43.961 47.309 1.00 40.98 C +ATOM 658 C PHE A 82 12.224 42.503 47.690 1.00 42.01 C +ATOM 659 O PHE A 82 13.206 41.814 47.408 1.00 39.08 O +ATOM 660 CB PHE A 82 12.102 44.176 45.819 1.00 40.48 C +ATOM 661 CG PHE A 82 11.003 43.285 45.330 1.00 39.27 C +ATOM 662 CD1 PHE A 82 9.694 43.662 45.536 1.00 39.03 C +ATOM 663 CD2 PHE A 82 11.295 42.076 44.726 1.00 38.57 C +ATOM 664 CE1 PHE A 82 8.672 42.825 45.099 1.00 39.34 C +ATOM 665 CE2 PHE A 82 10.271 41.249 44.299 1.00 37.98 C +ATOM 666 CZ PHE A 82 8.969 41.617 44.488 1.00 38.11 C +ATOM 667 N LEU A 83 11.088 42.075 48.242 1.00 44.23 N +ATOM 668 CA LEU A 83 10.904 40.671 48.570 1.00 46.71 C +ATOM 669 C LEU A 83 9.687 40.057 47.892 1.00 48.97 C +ATOM 670 O LEU A 83 8.782 40.753 47.410 1.00 47.07 O +ATOM 671 CB LEU A 83 10.987 40.354 50.055 1.00 46.11 C +ATOM 672 CG LEU A 83 12.475 40.233 50.466 1.00 47.50 C +ATOM 673 CD1 LEU A 83 13.015 41.503 51.105 1.00 48.83 C +ATOM 674 CD2 LEU A 83 12.733 39.059 51.379 1.00 47.35 C +ATOM 675 N HIS A 84 9.725 38.716 47.789 1.00 51.23 N +ATOM 676 CA HIS A 84 8.697 38.052 46.995 1.00 53.54 C +ATOM 677 C HIS A 84 7.334 38.069 47.601 1.00 51.80 C +ATOM 678 O HIS A 84 6.465 38.518 46.852 1.00 53.20 O +ATOM 679 CB HIS A 84 9.177 36.671 46.491 1.00 58.28 C +ATOM 680 CG HIS A 84 10.558 37.018 45.976 1.00 62.15 C +ATOM 681 ND1 HIS A 84 10.810 37.708 44.815 1.00 63.66 N +ATOM 682 CD2 HIS A 84 11.751 36.843 46.564 1.00 63.76 C +ATOM 683 CE1 HIS A 84 12.119 37.906 44.696 1.00 64.55 C +ATOM 684 NE2 HIS A 84 12.712 37.389 45.771 1.00 65.25 N +ATOM 685 N GLN A 85 7.109 37.723 48.828 1.00 49.45 N +ATOM 686 CA GLN A 85 5.758 37.725 49.398 1.00 49.03 C +ATOM 687 C GLN A 85 5.804 37.932 50.901 1.00 47.58 C +ATOM 688 O GLN A 85 6.876 38.197 51.469 1.00 47.75 O +ATOM 689 CB GLN A 85 5.284 36.349 49.001 1.00 50.08 C +ATOM 690 CG GLN A 85 4.027 35.700 49.514 1.00 52.54 C +ATOM 691 CD GLN A 85 4.006 34.340 48.815 1.00 55.51 C +ATOM 692 OE1 GLN A 85 3.992 33.322 49.502 1.00 57.52 O +ATOM 693 NE2 GLN A 85 4.075 34.366 47.483 1.00 56.17 N +ATOM 694 N ASP A 86 4.685 37.891 51.596 1.00 45.59 N +ATOM 695 CA ASP A 86 4.709 37.937 53.049 1.00 45.21 C +ATOM 696 C ASP A 86 4.322 36.537 53.562 1.00 42.33 C +ATOM 697 O ASP A 86 3.746 35.743 52.860 1.00 38.38 O +ATOM 698 CB ASP A 86 3.812 38.981 53.691 1.00 46.60 C +ATOM 699 CG ASP A 86 2.379 38.706 53.287 1.00 48.16 C +ATOM 700 OD1 ASP A 86 1.754 37.791 53.814 1.00 48.65 O +ATOM 701 OD2 ASP A 86 1.854 39.389 52.397 1.00 49.74 O +ATOM 702 N LEU A 87 4.593 36.299 54.827 1.00 41.05 N +ATOM 703 CA LEU A 87 4.327 35.047 55.477 1.00 41.08 C +ATOM 704 C LEU A 87 2.867 34.629 55.507 1.00 43.31 C +ATOM 705 O LEU A 87 2.517 33.462 55.404 1.00 41.55 O +ATOM 706 CB LEU A 87 4.853 35.207 56.902 1.00 39.87 C +ATOM 707 CG LEU A 87 4.743 33.924 57.713 1.00 39.93 C +ATOM 708 CD1 LEU A 87 5.387 32.819 56.896 1.00 40.43 C +ATOM 709 CD2 LEU A 87 5.411 34.082 59.065 1.00 40.53 C +ATOM 710 N LYS A 88 1.998 35.602 55.711 1.00 47.01 N +ATOM 711 CA LYS A 88 0.565 35.462 55.753 1.00 51.45 C +ATOM 712 C LYS A 88 0.118 34.976 54.377 1.00 53.87 C +ATOM 713 O LYS A 88 -0.565 33.972 54.243 1.00 51.96 O +ATOM 714 CB LYS A 88 -0.058 36.785 56.097 1.00 53.31 C +ATOM 715 CG LYS A 88 -1.521 37.013 55.836 1.00 56.97 C +ATOM 716 CD LYS A 88 -1.619 38.420 55.276 1.00 61.20 C +ATOM 717 CE LYS A 88 -2.984 39.073 55.248 1.00 64.30 C +ATOM 718 NZ LYS A 88 -2.871 40.457 54.675 1.00 65.09 N +ATOM 719 N LYS A 89 0.570 35.696 53.350 1.00 56.75 N +ATOM 720 CA LYS A 89 0.285 35.297 51.984 1.00 58.86 C +ATOM 721 C LYS A 89 0.894 33.922 51.734 1.00 57.35 C +ATOM 722 O LYS A 89 0.201 33.175 51.036 1.00 58.28 O +ATOM 723 CB LYS A 89 0.636 36.388 50.973 1.00 62.39 C +ATOM 724 CG LYS A 89 -0.493 37.389 50.728 1.00 65.95 C +ATOM 725 CD LYS A 89 -0.275 38.320 49.561 1.00 69.37 C +ATOM 726 CE LYS A 89 -0.027 39.803 49.794 1.00 71.53 C +ATOM 727 NZ LYS A 89 0.177 40.475 48.452 1.00 71.02 N +ATOM 728 N PHE A 90 2.041 33.473 52.217 1.00 54.88 N +ATOM 729 CA PHE A 90 2.567 32.150 51.946 1.00 52.71 C +ATOM 730 C PHE A 90 1.816 31.083 52.744 1.00 53.31 C +ATOM 731 O PHE A 90 1.522 29.991 52.278 1.00 52.03 O +ATOM 732 CB PHE A 90 4.027 32.001 52.322 1.00 49.93 C +ATOM 733 CG PHE A 90 4.741 30.689 52.367 1.00 46.94 C +ATOM 734 CD1 PHE A 90 5.229 30.185 51.180 1.00 46.23 C +ATOM 735 CD2 PHE A 90 4.977 29.953 53.500 1.00 46.41 C +ATOM 736 CE1 PHE A 90 5.936 29.019 51.094 1.00 46.49 C +ATOM 737 CE2 PHE A 90 5.687 28.764 53.449 1.00 46.97 C +ATOM 738 CZ PHE A 90 6.178 28.302 52.250 1.00 46.96 C +ATOM 739 N MET A 91 1.604 31.392 54.011 1.00 55.32 N +ATOM 740 CA MET A 91 0.924 30.495 54.920 1.00 58.31 C +ATOM 741 C MET A 91 -0.392 30.009 54.337 1.00 62.83 C +ATOM 742 O MET A 91 -0.648 28.817 54.336 1.00 62.12 O +ATOM 743 CB MET A 91 0.572 31.238 56.188 1.00 56.05 C +ATOM 744 CG MET A 91 0.529 30.383 57.433 1.00 53.64 C +ATOM 745 SD MET A 91 1.499 31.240 58.685 1.00 52.57 S +ATOM 746 CE MET A 91 0.787 32.879 58.636 1.00 51.46 C +ATOM 747 N ASP A 92 -1.199 30.934 53.837 1.00 69.43 N +ATOM 748 CA ASP A 92 -2.483 30.731 53.229 1.00 76.50 C +ATOM 749 C ASP A 92 -2.415 29.933 51.927 1.00 81.43 C +ATOM 750 O ASP A 92 -3.401 29.345 51.488 1.00 81.68 O +ATOM 751 CB ASP A 92 -3.166 32.071 52.932 1.00 76.78 C +ATOM 752 CG ASP A 92 -3.830 32.843 54.035 1.00 77.27 C +ATOM 753 OD1 ASP A 92 -4.127 32.240 55.087 1.00 78.11 O +ATOM 754 OD2 ASP A 92 -4.092 34.061 53.940 1.00 76.65 O +ATOM 755 N ALA A 93 -1.283 29.910 51.257 1.00 87.62 N +ATOM 756 CA ALA A 93 -1.003 29.197 50.038 1.00 93.77 C +ATOM 757 C ALA A 93 -0.481 27.787 50.303 1.00 98.37 C +ATOM 758 O ALA A 93 -0.576 26.912 49.447 1.00 98.42 O +ATOM 759 CB ALA A 93 0.053 29.941 49.224 1.00 93.62 C +ATOM 760 N SER A 94 0.083 27.589 51.491 1.00103.94 N +ATOM 761 CA SER A 94 0.617 26.280 51.863 1.00108.69 C +ATOM 762 C SER A 94 -0.358 25.550 52.766 1.00112.45 C +ATOM 763 O SER A 94 -0.048 24.480 53.264 1.00112.31 O +ATOM 764 CB SER A 94 1.989 26.417 52.517 1.00108.30 C +ATOM 765 OG SER A 94 2.010 27.201 53.675 1.00107.53 O +ATOM 766 N ALA A 95 -1.589 26.019 52.905 1.00117.61 N +ATOM 767 CA ALA A 95 -2.559 25.446 53.817 1.00122.25 C +ATOM 768 C ALA A 95 -3.200 24.125 53.441 1.00125.26 C +ATOM 769 O ALA A 95 -4.077 23.661 54.183 1.00125.23 O +ATOM 770 CB ALA A 95 -3.651 26.465 54.152 1.00122.40 C +ATOM 771 N LEU A 96 -2.801 23.518 52.336 1.00129.01 N +ATOM 772 CA LEU A 96 -3.358 22.194 52.014 1.00131.65 C +ATOM 773 C LEU A 96 -2.332 21.208 52.549 1.00132.15 C +ATOM 774 O LEU A 96 -2.668 20.334 53.350 1.00132.32 O +ATOM 775 CB LEU A 96 -3.803 22.044 50.565 1.00133.67 C +ATOM 776 CG LEU A 96 -5.091 22.907 50.302 1.00135.51 C +ATOM 777 CD1 LEU A 96 -5.376 22.923 48.768 1.00135.31 C +ATOM 778 CD2 LEU A 96 -6.284 22.124 50.942 1.00135.08 C +ATOM 779 N THR A 97 -1.058 21.476 52.269 1.00132.25 N +ATOM 780 CA THR A 97 -0.003 20.638 52.808 1.00131.89 C +ATOM 781 C THR A 97 0.932 21.331 53.783 1.00130.09 C +ATOM 782 O THR A 97 2.079 20.907 53.922 1.00130.85 O +ATOM 783 CB THR A 97 0.859 20.053 51.680 1.00133.17 C +ATOM 784 OG1 THR A 97 0.114 20.126 50.462 1.00133.33 O +ATOM 785 CG2 THR A 97 1.068 18.603 52.094 1.00132.89 C +ATOM 786 N GLY A 98 0.467 22.371 54.445 1.00128.01 N +ATOM 787 CA GLY A 98 1.227 23.110 55.403 1.00124.70 C +ATOM 788 C GLY A 98 2.676 23.420 55.137 1.00121.97 C +ATOM 789 O GLY A 98 3.257 23.223 54.074 1.00122.04 O +ATOM 790 N ILE A 99 3.254 24.004 56.196 1.00119.23 N +ATOM 791 CA ILE A 99 4.669 24.352 56.130 1.00115.60 C +ATOM 792 C ILE A 99 5.429 23.239 56.833 1.00112.20 C +ATOM 793 O ILE A 99 5.075 22.855 57.945 1.00112.23 O +ATOM 794 CB ILE A 99 4.950 25.736 56.724 1.00116.11 C +ATOM 795 CG1 ILE A 99 3.961 26.747 56.142 1.00116.36 C +ATOM 796 CG2 ILE A 99 6.382 26.144 56.409 1.00116.14 C +ATOM 797 CD1 ILE A 99 4.121 28.180 56.568 1.00116.05 C +ATOM 798 N PRO A 100 6.380 22.660 56.116 1.00108.58 N +ATOM 799 CA PRO A 100 7.223 21.623 56.690 1.00105.20 C +ATOM 800 C PRO A 100 7.916 22.225 57.906 1.00100.92 C +ATOM 801 O PRO A 100 8.210 23.414 57.939 1.00100.22 O +ATOM 802 CB PRO A 100 8.205 21.278 55.593 1.00106.29 C +ATOM 803 CG PRO A 100 7.790 21.998 54.366 1.00107.05 C +ATOM 804 CD PRO A 100 6.823 23.068 54.767 1.00107.82 C +ATOM 805 N LEU A 101 8.249 21.423 58.893 1.00 95.90 N +ATOM 806 CA LEU A 101 8.918 21.812 60.123 1.00 90.56 C +ATOM 807 C LEU A 101 10.244 22.517 59.910 1.00 85.80 C +ATOM 808 O LEU A 101 10.491 23.604 60.433 1.00 85.81 O +ATOM 809 CB LEU A 101 9.095 20.546 60.954 1.00 91.22 C +ATOM 810 CG LEU A 101 8.706 20.546 62.420 1.00 91.43 C +ATOM 811 CD1 LEU A 101 9.930 20.425 63.303 1.00 90.42 C +ATOM 812 CD2 LEU A 101 7.934 21.792 62.855 1.00 91.78 C +ATOM 813 N PRO A 102 11.118 21.930 59.100 1.00 80.35 N +ATOM 814 CA PRO A 102 12.388 22.510 58.708 1.00 74.83 C +ATOM 815 C PRO A 102 12.258 23.957 58.252 1.00 67.64 C +ATOM 816 O PRO A 102 13.010 24.818 58.715 1.00 64.79 O +ATOM 817 CB PRO A 102 12.893 21.600 57.598 1.00 76.92 C +ATOM 818 CG PRO A 102 12.210 20.297 57.810 1.00 78.40 C +ATOM 819 CD PRO A 102 10.910 20.605 58.461 1.00 79.34 C +ATOM 820 N LEU A 103 11.281 24.256 57.393 1.00 60.52 N +ATOM 821 CA LEU A 103 11.005 25.627 56.978 1.00 54.17 C +ATOM 822 C LEU A 103 10.465 26.491 58.129 1.00 49.07 C +ATOM 823 O LEU A 103 10.882 27.637 58.302 1.00 47.17 O +ATOM 824 CB LEU A 103 10.141 25.698 55.728 1.00 51.64 C +ATOM 825 CG LEU A 103 9.993 27.105 55.124 1.00 49.97 C +ATOM 826 CD1 LEU A 103 11.289 27.688 54.609 1.00 47.68 C +ATOM 827 CD2 LEU A 103 8.920 27.041 54.052 1.00 49.35 C +ATOM 828 N ILE A 104 9.668 25.987 59.028 1.00 45.07 N +ATOM 829 CA ILE A 104 9.178 26.713 60.175 1.00 45.73 C +ATOM 830 C ILE A 104 10.323 27.168 61.081 1.00 45.66 C +ATOM 831 O ILE A 104 10.474 28.328 61.430 1.00 44.37 O +ATOM 832 CB ILE A 104 8.148 25.898 60.970 1.00 45.18 C +ATOM 833 CG1 ILE A 104 6.920 25.589 60.118 1.00 45.05 C +ATOM 834 CG2 ILE A 104 7.707 26.682 62.201 1.00 46.67 C +ATOM 835 CD1 ILE A 104 5.810 24.862 60.850 1.00 43.46 C +ATOM 836 N LYS A 105 11.132 26.226 61.516 1.00 45.63 N +ATOM 837 CA LYS A 105 12.291 26.333 62.367 1.00 44.35 C +ATOM 838 C LYS A 105 13.283 27.362 61.856 1.00 43.08 C +ATOM 839 O LYS A 105 13.739 28.205 62.616 1.00 43.69 O +ATOM 840 CB LYS A 105 12.978 24.962 62.265 1.00 44.86 C +ATOM 841 CG LYS A 105 13.946 24.701 63.399 1.00 46.23 C +ATOM 842 CD LYS A 105 14.424 23.262 63.370 1.00 48.31 C +ATOM 843 CE LYS A 105 13.569 22.252 64.124 1.00 48.23 C +ATOM 844 NZ LYS A 105 14.086 20.881 63.846 1.00 46.22 N +ATOM 845 N SER A 106 13.600 27.175 60.574 1.00 40.39 N +ATOM 846 CA SER A 106 14.481 28.036 59.835 1.00 39.17 C +ATOM 847 C SER A 106 13.893 29.441 59.872 1.00 40.11 C +ATOM 848 O SER A 106 14.624 30.327 60.322 1.00 41.00 O +ATOM 849 CB SER A 106 14.704 27.587 58.387 1.00 38.86 C +ATOM 850 OG SER A 106 15.398 28.568 57.605 1.00 37.65 O +ATOM 851 N TYR A 107 12.620 29.642 59.502 1.00 39.83 N +ATOM 852 CA TYR A 107 12.016 30.973 59.619 1.00 37.78 C +ATOM 853 C TYR A 107 12.059 31.405 61.074 1.00 36.75 C +ATOM 854 O TYR A 107 12.476 32.523 61.382 1.00 36.02 O +ATOM 855 CB TYR A 107 10.622 31.054 59.028 1.00 37.54 C +ATOM 856 CG TYR A 107 10.442 30.968 57.525 1.00 38.05 C +ATOM 857 CD1 TYR A 107 11.493 31.242 56.635 1.00 37.59 C +ATOM 858 CD2 TYR A 107 9.216 30.628 56.974 1.00 37.09 C +ATOM 859 CE1 TYR A 107 11.300 31.172 55.285 1.00 37.26 C +ATOM 860 CE2 TYR A 107 9.027 30.522 55.610 1.00 37.44 C +ATOM 861 CZ TYR A 107 10.080 30.809 54.763 1.00 37.62 C +ATOM 862 OH TYR A 107 9.965 30.751 53.393 1.00 37.32 O +ATOM 863 N LEU A 108 11.720 30.541 62.047 1.00 35.72 N +ATOM 864 CA LEU A 108 11.732 31.047 63.415 1.00 36.23 C +ATOM 865 C LEU A 108 13.155 31.487 63.740 1.00 36.92 C +ATOM 866 O LEU A 108 13.401 32.594 64.251 1.00 36.00 O +ATOM 867 CB LEU A 108 11.058 30.106 64.375 1.00 35.41 C +ATOM 868 CG LEU A 108 10.945 30.596 65.823 1.00 35.55 C +ATOM 869 CD1 LEU A 108 9.904 31.703 65.860 1.00 34.27 C +ATOM 870 CD2 LEU A 108 10.661 29.481 66.813 1.00 34.22 C +ATOM 871 N PHE A 109 14.115 30.637 63.377 1.00 37.55 N +ATOM 872 CA PHE A 109 15.527 30.895 63.625 1.00 37.27 C +ATOM 873 C PHE A 109 15.997 32.194 62.995 1.00 36.04 C +ATOM 874 O PHE A 109 16.736 32.959 63.629 1.00 35.67 O +ATOM 875 CB PHE A 109 16.331 29.713 63.085 1.00 39.54 C +ATOM 876 CG PHE A 109 17.736 29.682 63.652 1.00 39.98 C +ATOM 877 CD1 PHE A 109 17.911 29.634 65.017 1.00 39.91 C +ATOM 878 CD2 PHE A 109 18.823 29.707 62.818 1.00 39.89 C +ATOM 879 CE1 PHE A 109 19.166 29.597 65.550 1.00 42.34 C +ATOM 880 CE2 PHE A 109 20.080 29.643 63.374 1.00 42.55 C +ATOM 881 CZ PHE A 109 20.278 29.585 64.725 1.00 42.38 C +ATOM 882 N GLN A 110 15.624 32.385 61.724 1.00 34.75 N +ATOM 883 CA GLN A 110 15.916 33.617 61.011 1.00 32.69 C +ATOM 884 C GLN A 110 15.151 34.775 61.649 1.00 32.73 C +ATOM 885 O GLN A 110 15.877 35.714 62.000 1.00 33.73 O +ATOM 886 CB GLN A 110 15.653 33.503 59.530 1.00 33.54 C +ATOM 887 CG GLN A 110 16.611 32.620 58.741 1.00 33.82 C +ATOM 888 CD GLN A 110 16.302 32.641 57.266 1.00 35.13 C +ATOM 889 OE1 GLN A 110 16.579 33.549 56.480 1.00 36.60 O +ATOM 890 NE2 GLN A 110 15.666 31.566 56.811 1.00 36.16 N +ATOM 891 N LEU A 111 13.866 34.767 61.985 1.00 29.80 N +ATOM 892 CA LEU A 111 13.306 35.893 62.692 1.00 29.35 C +ATOM 893 C LEU A 111 13.957 36.184 64.023 1.00 29.54 C +ATOM 894 O LEU A 111 14.019 37.341 64.428 1.00 27.60 O +ATOM 895 CB LEU A 111 11.816 35.583 62.935 1.00 29.98 C +ATOM 896 CG LEU A 111 11.094 35.263 61.628 1.00 28.00 C +ATOM 897 CD1 LEU A 111 9.963 34.279 61.857 1.00 26.48 C +ATOM 898 CD2 LEU A 111 10.742 36.598 61.001 1.00 25.48 C +ATOM 899 N LEU A 112 14.382 35.206 64.823 1.00 31.63 N +ATOM 900 CA LEU A 112 14.961 35.526 66.147 1.00 32.23 C +ATOM 901 C LEU A 112 16.301 36.231 65.961 1.00 32.38 C +ATOM 902 O LEU A 112 16.682 37.180 66.648 1.00 32.58 O +ATOM 903 CB LEU A 112 15.038 34.291 67.009 1.00 32.91 C +ATOM 904 CG LEU A 112 13.771 33.587 67.437 1.00 35.03 C +ATOM 905 CD1 LEU A 112 13.962 32.104 67.710 1.00 35.28 C +ATOM 906 CD2 LEU A 112 13.194 34.221 68.704 1.00 35.52 C +ATOM 907 N GLN A 113 17.039 35.832 64.936 1.00 30.79 N +ATOM 908 CA GLN A 113 18.268 36.530 64.608 1.00 28.65 C +ATOM 909 C GLN A 113 17.982 37.980 64.304 1.00 26.67 C +ATOM 910 O GLN A 113 18.733 38.774 64.843 1.00 27.55 O +ATOM 911 CB GLN A 113 19.020 35.899 63.440 1.00 28.05 C +ATOM 912 CG GLN A 113 19.517 34.517 63.815 1.00 30.57 C +ATOM 913 CD GLN A 113 20.233 33.952 62.610 1.00 34.00 C +ATOM 914 OE1 GLN A 113 21.062 34.647 62.015 1.00 34.95 O +ATOM 915 NE2 GLN A 113 19.913 32.715 62.250 1.00 36.80 N +ATOM 916 N GLY A 114 17.029 38.384 63.500 1.00 26.72 N +ATOM 917 CA GLY A 114 16.768 39.768 63.153 1.00 25.65 C +ATOM 918 C GLY A 114 16.244 40.559 64.336 1.00 25.09 C +ATOM 919 O GLY A 114 16.624 41.693 64.594 1.00 23.12 O +ATOM 920 N LEU A 115 15.399 39.851 65.088 1.00 26.14 N +ATOM 921 CA LEU A 115 14.824 40.336 66.320 1.00 28.13 C +ATOM 922 C LEU A 115 15.901 40.500 67.391 1.00 29.45 C +ATOM 923 O LEU A 115 15.858 41.590 67.985 1.00 32.97 O +ATOM 924 CB LEU A 115 13.642 39.516 66.844 1.00 27.65 C +ATOM 925 CG LEU A 115 12.854 40.303 67.919 1.00 28.52 C +ATOM 926 CD1 LEU A 115 12.192 41.541 67.268 1.00 27.20 C +ATOM 927 CD2 LEU A 115 11.800 39.464 68.609 1.00 27.61 C +ATOM 928 N ALA A 116 16.915 39.669 67.563 1.00 28.74 N +ATOM 929 CA ALA A 116 17.995 39.935 68.525 1.00 27.44 C +ATOM 930 C ALA A 116 18.795 41.164 68.093 1.00 28.60 C +ATOM 931 O ALA A 116 19.064 42.063 68.926 1.00 29.53 O +ATOM 932 CB ALA A 116 18.915 38.741 68.732 1.00 21.87 C +ATOM 933 N PHE A 117 19.099 41.251 66.792 1.00 27.15 N +ATOM 934 CA PHE A 117 19.797 42.413 66.260 1.00 26.48 C +ATOM 935 C PHE A 117 19.018 43.689 66.575 1.00 27.94 C +ATOM 936 O PHE A 117 19.650 44.699 66.882 1.00 30.38 O +ATOM 937 CB PHE A 117 20.118 42.264 64.775 1.00 26.02 C +ATOM 938 CG PHE A 117 21.028 43.320 64.228 1.00 28.92 C +ATOM 939 CD1 PHE A 117 22.403 43.120 64.225 1.00 28.38 C +ATOM 940 CD2 PHE A 117 20.528 44.505 63.672 1.00 29.21 C +ATOM 941 CE1 PHE A 117 23.244 44.080 63.692 1.00 29.12 C +ATOM 942 CE2 PHE A 117 21.390 45.485 63.185 1.00 28.33 C +ATOM 943 CZ PHE A 117 22.742 45.283 63.192 1.00 29.10 C +ATOM 944 N CYS A 118 17.725 43.840 66.533 1.00 26.81 N +ATOM 945 CA CYS A 118 16.968 45.022 66.848 1.00 26.05 C +ATOM 946 C CYS A 118 17.042 45.402 68.323 1.00 27.27 C +ATOM 947 O CYS A 118 17.326 46.563 68.654 1.00 24.15 O +ATOM 948 CB CYS A 118 15.471 44.836 66.544 1.00 26.63 C +ATOM 949 SG CYS A 118 15.092 44.769 64.789 1.00 25.94 S +ATOM 950 N HIS A 119 16.762 44.412 69.179 1.00 27.78 N +ATOM 951 CA HIS A 119 16.810 44.555 70.624 1.00 27.78 C +ATOM 952 C HIS A 119 18.158 45.014 71.160 1.00 29.73 C +ATOM 953 O HIS A 119 18.402 45.898 71.985 1.00 30.65 O +ATOM 954 CB HIS A 119 16.384 43.251 71.298 1.00 27.36 C +ATOM 955 CG HIS A 119 14.916 42.999 71.113 1.00 30.46 C +ATOM 956 ND1 HIS A 119 14.060 43.953 70.576 1.00 31.08 N +ATOM 957 CD2 HIS A 119 14.127 41.923 71.365 1.00 30.72 C +ATOM 958 CE1 HIS A 119 12.839 43.476 70.467 1.00 30.38 C +ATOM 959 NE2 HIS A 119 12.855 42.251 70.965 1.00 30.99 N +ATOM 960 N SER A 120 19.177 44.384 70.637 1.00 31.73 N +ATOM 961 CA SER A 120 20.575 44.611 70.748 1.00 32.68 C +ATOM 962 C SER A 120 20.969 46.024 70.334 1.00 33.55 C +ATOM 963 O SER A 120 22.020 46.491 70.777 1.00 32.67 O +ATOM 964 CB SER A 120 21.258 43.715 69.686 1.00 34.15 C +ATOM 965 OG SER A 120 21.927 42.723 70.432 1.00 37.13 O +ATOM 966 N HIS A 121 20.255 46.646 69.390 1.00 33.03 N +ATOM 967 CA HIS A 121 20.564 48.020 69.030 1.00 34.00 C +ATOM 968 C HIS A 121 19.462 48.948 69.548 1.00 32.70 C +ATOM 969 O HIS A 121 19.127 49.975 68.949 1.00 32.97 O +ATOM 970 CB HIS A 121 20.778 48.270 67.547 1.00 35.60 C +ATOM 971 CG HIS A 121 21.922 47.445 67.041 1.00 39.31 C +ATOM 972 ND1 HIS A 121 21.814 46.057 67.022 1.00 39.96 N +ATOM 973 CD2 HIS A 121 23.135 47.747 66.543 1.00 39.26 C +ATOM 974 CE1 HIS A 121 22.930 45.566 66.560 1.00 40.52 C +ATOM 975 NE2 HIS A 121 23.739 46.558 66.248 1.00 40.55 N +ATOM 976 N ARG A 122 18.984 48.703 70.754 1.00 29.34 N +ATOM 977 CA ARG A 122 17.871 49.380 71.364 1.00 28.56 C +ATOM 978 C ARG A 122 16.755 49.687 70.379 1.00 28.86 C +ATOM 979 O ARG A 122 16.150 50.745 70.615 1.00 31.74 O +ATOM 980 CB ARG A 122 18.218 50.566 72.246 1.00 27.83 C +ATOM 981 CG ARG A 122 19.154 51.660 71.721 1.00 29.82 C +ATOM 982 CD ARG A 122 18.568 52.510 70.627 1.00 27.98 C +ATOM 983 NE ARG A 122 19.267 53.515 69.893 1.00 31.62 N +ATOM 984 CZ ARG A 122 19.684 53.597 68.617 1.00 31.31 C +ATOM 985 NH1 ARG A 122 19.572 52.649 67.670 1.00 28.75 N +ATOM 986 NH2 ARG A 122 20.241 54.741 68.265 1.00 29.64 N +ATOM 987 N VAL A 123 16.164 48.756 69.618 1.00 26.95 N +ATOM 988 CA VAL A 123 14.992 49.027 68.819 1.00 25.05 C +ATOM 989 C VAL A 123 13.937 47.976 69.160 1.00 26.43 C +ATOM 990 O VAL A 123 14.175 46.773 69.246 1.00 22.12 O +ATOM 991 CB VAL A 123 15.201 49.094 67.313 1.00 26.52 C +ATOM 992 CG1 VAL A 123 13.954 49.146 66.426 1.00 25.12 C +ATOM 993 CG2 VAL A 123 16.000 50.365 66.968 1.00 27.98 C +ATOM 994 N LEU A 124 12.701 48.476 69.301 1.00 28.13 N +ATOM 995 CA LEU A 124 11.539 47.623 69.557 1.00 29.01 C +ATOM 996 C LEU A 124 10.728 47.627 68.274 1.00 31.41 C +ATOM 997 O LEU A 124 10.469 48.772 67.824 1.00 33.24 O +ATOM 998 CB LEU A 124 10.672 48.244 70.636 1.00 29.97 C +ATOM 999 CG LEU A 124 11.049 48.243 72.102 1.00 31.36 C +ATOM 1000 CD1 LEU A 124 9.939 48.874 72.946 1.00 32.21 C +ATOM 1001 CD2 LEU A 124 11.335 46.822 72.527 1.00 29.92 C +ATOM 1002 N HIS A 125 10.300 46.526 67.709 1.00 31.02 N +ATOM 1003 CA HIS A 125 9.613 46.641 66.403 1.00 30.44 C +ATOM 1004 C HIS A 125 8.176 47.108 66.554 1.00 33.41 C +ATOM 1005 O HIS A 125 7.511 47.941 65.907 1.00 34.42 O +ATOM 1006 CB HIS A 125 9.690 45.233 65.768 1.00 29.01 C +ATOM 1007 CG HIS A 125 9.076 45.254 64.419 1.00 28.62 C +ATOM 1008 ND1 HIS A 125 7.758 44.927 64.198 1.00 28.76 N +ATOM 1009 CD2 HIS A 125 9.578 45.636 63.206 1.00 28.33 C +ATOM 1010 CE1 HIS A 125 7.470 45.096 62.905 1.00 27.73 C +ATOM 1011 NE2 HIS A 125 8.570 45.504 62.290 1.00 28.43 N +ATOM 1012 N ARG A 126 7.586 46.451 67.551 1.00 33.24 N +ATOM 1013 CA ARG A 126 6.231 46.621 68.019 1.00 32.29 C +ATOM 1014 C ARG A 126 5.167 46.278 66.996 1.00 31.71 C +ATOM 1015 O ARG A 126 4.065 46.809 67.134 1.00 28.33 O +ATOM 1016 CB ARG A 126 6.084 48.038 68.607 1.00 31.47 C +ATOM 1017 CG ARG A 126 7.108 48.300 69.690 1.00 33.89 C +ATOM 1018 CD ARG A 126 6.905 49.562 70.487 1.00 33.35 C +ATOM 1019 NE ARG A 126 6.960 50.683 69.533 1.00 33.22 N +ATOM 1020 CZ ARG A 126 6.552 51.891 69.884 1.00 32.98 C +ATOM 1021 NH1 ARG A 126 6.132 52.021 71.129 1.00 32.35 N +ATOM 1022 NH2 ARG A 126 6.555 52.879 69.006 1.00 32.75 N +ATOM 1023 N ASP A 127 5.338 45.309 66.103 1.00 32.39 N +ATOM 1024 CA ASP A 127 4.210 45.041 65.175 1.00 32.24 C +ATOM 1025 C ASP A 127 4.521 43.842 64.305 1.00 30.85 C +ATOM 1026 O ASP A 127 4.237 43.805 63.141 1.00 25.98 O +ATOM 1027 CB ASP A 127 3.895 46.295 64.365 1.00 33.46 C +ATOM 1028 CG ASP A 127 2.667 46.206 63.475 1.00 34.44 C +ATOM 1029 OD1 ASP A 127 1.745 45.446 63.838 1.00 32.83 O +ATOM 1030 OD2 ASP A 127 2.706 46.868 62.407 1.00 32.13 O +ATOM 1031 N LEU A 128 5.215 42.882 64.937 1.00 32.66 N +ATOM 1032 CA LEU A 128 5.422 41.622 64.223 1.00 34.62 C +ATOM 1033 C LEU A 128 4.005 41.005 64.086 1.00 36.55 C +ATOM 1034 O LEU A 128 3.112 41.065 64.939 1.00 35.25 O +ATOM 1035 CB LEU A 128 6.395 40.738 64.936 1.00 34.17 C +ATOM 1036 CG LEU A 128 7.858 41.118 65.074 1.00 36.70 C +ATOM 1037 CD1 LEU A 128 8.650 39.808 65.188 1.00 38.44 C +ATOM 1038 CD2 LEU A 128 8.454 41.860 63.890 1.00 36.58 C +ATOM 1039 N LYS A 129 3.777 40.457 62.918 1.00 36.91 N +ATOM 1040 CA LYS A 129 2.631 39.759 62.414 1.00 38.92 C +ATOM 1041 C LYS A 129 3.064 39.259 61.026 1.00 41.09 C +ATOM 1042 O LYS A 129 4.020 39.780 60.418 1.00 41.65 O +ATOM 1043 CB LYS A 129 1.402 40.623 62.359 1.00 37.40 C +ATOM 1044 CG LYS A 129 1.591 41.860 61.498 1.00 36.91 C +ATOM 1045 CD LYS A 129 0.267 42.619 61.483 1.00 36.15 C +ATOM 1046 CE LYS A 129 0.512 43.886 60.690 1.00 36.57 C +ATOM 1047 NZ LYS A 129 -0.783 44.571 60.410 1.00 37.87 N +ATOM 1048 N PRO A 130 2.427 38.210 60.543 1.00 41.57 N +ATOM 1049 CA PRO A 130 2.813 37.600 59.279 1.00 41.90 C +ATOM 1050 C PRO A 130 2.851 38.543 58.104 1.00 42.79 C +ATOM 1051 O PRO A 130 3.695 38.307 57.248 1.00 43.31 O +ATOM 1052 CB PRO A 130 1.841 36.446 59.093 1.00 41.32 C +ATOM 1053 CG PRO A 130 1.228 36.218 60.438 1.00 42.02 C +ATOM 1054 CD PRO A 130 1.291 37.513 61.210 1.00 41.32 C +ATOM 1055 N GLN A 131 2.071 39.588 57.956 1.00 43.03 N +ATOM 1056 CA GLN A 131 2.021 40.567 56.902 1.00 43.28 C +ATOM 1057 C GLN A 131 3.264 41.434 56.752 1.00 42.32 C +ATOM 1058 O GLN A 131 3.651 41.824 55.662 1.00 43.26 O +ATOM 1059 CB GLN A 131 0.780 41.471 57.041 1.00 44.86 C +ATOM 1060 CG GLN A 131 0.036 41.302 58.346 1.00 47.50 C +ATOM 1061 CD GLN A 131 -0.686 40.036 58.718 1.00 46.85 C +ATOM 1062 OE1 GLN A 131 -0.378 39.457 59.746 1.00 45.87 O +ATOM 1063 NE2 GLN A 131 -1.684 39.507 58.029 1.00 48.27 N +ATOM 1064 N ASN A 132 3.956 41.701 57.825 1.00 40.45 N +ATOM 1065 CA ASN A 132 5.209 42.347 57.969 1.00 38.01 C +ATOM 1066 C ASN A 132 6.374 41.372 57.827 1.00 35.00 C +ATOM 1067 O ASN A 132 7.472 41.906 57.972 1.00 31.87 O +ATOM 1068 CB ASN A 132 5.339 42.946 59.395 1.00 39.94 C +ATOM 1069 CG ASN A 132 4.207 43.934 59.554 1.00 42.86 C +ATOM 1070 OD1 ASN A 132 3.682 44.399 58.525 1.00 45.14 O +ATOM 1071 ND2 ASN A 132 3.793 44.295 60.753 1.00 42.37 N +ATOM 1072 N LEU A 133 6.174 40.070 57.647 1.00 33.00 N +ATOM 1073 CA LEU A 133 7.394 39.240 57.529 1.00 32.61 C +ATOM 1074 C LEU A 133 7.578 38.779 56.086 1.00 33.78 C +ATOM 1075 O LEU A 133 6.750 38.006 55.581 1.00 33.75 O +ATOM 1076 CB LEU A 133 7.398 38.105 58.527 1.00 30.25 C +ATOM 1077 CG LEU A 133 6.964 38.399 59.955 1.00 30.30 C +ATOM 1078 CD1 LEU A 133 6.777 37.093 60.714 1.00 28.14 C +ATOM 1079 CD2 LEU A 133 7.924 39.392 60.638 1.00 28.69 C +ATOM 1080 N LEU A 134 8.567 39.348 55.391 1.00 33.48 N +ATOM 1081 CA LEU A 134 8.742 39.008 53.963 1.00 34.20 C +ATOM 1082 C LEU A 134 9.696 37.869 53.631 1.00 31.98 C +ATOM 1083 O LEU A 134 10.730 37.654 54.222 1.00 31.78 O +ATOM 1084 CB LEU A 134 9.115 40.304 53.243 1.00 33.73 C +ATOM 1085 CG LEU A 134 8.357 41.550 53.670 1.00 33.21 C +ATOM 1086 CD1 LEU A 134 8.714 42.702 52.748 1.00 29.99 C +ATOM 1087 CD2 LEU A 134 6.836 41.342 53.649 1.00 33.59 C +ATOM 1088 N ILE A 135 9.357 37.014 52.682 1.00 32.48 N +ATOM 1089 CA ILE A 135 10.141 35.865 52.314 1.00 34.71 C +ATOM 1090 C ILE A 135 10.581 36.027 50.858 1.00 37.05 C +ATOM 1091 O ILE A 135 9.951 36.667 50.027 1.00 35.36 O +ATOM 1092 CB ILE A 135 9.428 34.528 52.571 1.00 34.71 C +ATOM 1093 CG1 ILE A 135 8.121 34.403 51.753 1.00 35.88 C +ATOM 1094 CG2 ILE A 135 9.054 34.283 54.030 1.00 32.39 C +ATOM 1095 CD1 ILE A 135 7.653 32.939 51.729 1.00 34.15 C +ATOM 1096 N ASN A 136 11.777 35.494 50.618 1.00 39.72 N +ATOM 1097 CA ASN A 136 12.329 35.537 49.275 1.00 42.45 C +ATOM 1098 C ASN A 136 12.309 34.090 48.777 1.00 46.84 C +ATOM 1099 O ASN A 136 11.873 33.199 49.493 1.00 45.55 O +ATOM 1100 CB ASN A 136 13.582 36.374 49.182 1.00 38.38 C +ATOM 1101 CG ASN A 136 14.802 35.733 49.739 1.00 35.17 C +ATOM 1102 OD1 ASN A 136 14.725 34.528 49.861 1.00 33.96 O +ATOM 1103 ND2 ASN A 136 15.902 36.354 50.069 1.00 36.16 N +ATOM 1104 N THR A 137 12.787 33.872 47.557 1.00 52.70 N +ATOM 1105 CA THR A 137 12.799 32.601 46.866 1.00 57.47 C +ATOM 1106 C THR A 137 14.085 31.821 47.137 1.00 59.73 C +ATOM 1107 O THR A 137 14.370 30.803 46.518 1.00 60.41 O +ATOM 1108 CB THR A 137 12.640 32.700 45.334 1.00 57.87 C +ATOM 1109 OG1 THR A 137 13.841 33.195 44.741 1.00 58.83 O +ATOM 1110 CG2 THR A 137 11.532 33.657 44.924 1.00 58.39 C +ATOM 1111 N GLU A 138 14.867 32.330 48.065 1.00 61.56 N +ATOM 1112 CA GLU A 138 16.063 31.694 48.546 1.00 63.63 C +ATOM 1113 C GLU A 138 15.865 31.111 49.934 1.00 60.35 C +ATOM 1114 O GLU A 138 16.731 30.373 50.378 1.00 59.85 O +ATOM 1115 CB GLU A 138 17.251 32.648 48.475 1.00 69.41 C +ATOM 1116 CG GLU A 138 17.560 33.127 47.068 1.00 76.07 C +ATOM 1117 CD GLU A 138 18.980 33.588 46.831 1.00 79.92 C +ATOM 1118 OE1 GLU A 138 19.699 34.007 47.775 1.00 81.95 O +ATOM 1119 OE2 GLU A 138 19.436 33.540 45.656 1.00 82.21 O +ATOM 1120 N GLY A 139 14.776 31.351 50.651 1.00 57.46 N +ATOM 1121 CA GLY A 139 14.572 30.740 51.967 1.00 51.75 C +ATOM 1122 C GLY A 139 14.717 31.810 53.043 1.00 47.59 C +ATOM 1123 O GLY A 139 14.369 31.586 54.194 1.00 44.96 O +ATOM 1124 N ALA A 140 15.266 32.962 52.652 1.00 43.18 N +ATOM 1125 CA ALA A 140 15.340 34.039 53.643 1.00 39.59 C +ATOM 1126 C ALA A 140 13.935 34.478 54.067 1.00 36.67 C +ATOM 1127 O ALA A 140 13.030 34.397 53.257 1.00 33.19 O +ATOM 1128 CB ALA A 140 16.137 35.177 53.057 1.00 37.72 C +ATOM 1129 N ILE A 141 13.691 34.868 55.308 1.00 35.00 N +ATOM 1130 CA ILE A 141 12.516 35.486 55.903 1.00 32.44 C +ATOM 1131 C ILE A 141 12.981 36.785 56.606 1.00 31.93 C +ATOM 1132 O ILE A 141 14.014 36.746 57.291 1.00 32.25 O +ATOM 1133 CB ILE A 141 11.744 34.637 56.935 1.00 32.71 C +ATOM 1134 CG1 ILE A 141 10.471 35.346 57.402 1.00 30.66 C +ATOM 1135 CG2 ILE A 141 12.570 34.308 58.177 1.00 30.79 C +ATOM 1136 CD1 ILE A 141 9.269 34.512 57.706 1.00 30.59 C +ATOM 1137 N LYS A 142 12.402 37.958 56.458 1.00 30.29 N +ATOM 1138 CA LYS A 142 12.922 39.188 57.049 1.00 30.35 C +ATOM 1139 C LYS A 142 11.863 40.061 57.724 1.00 29.06 C +ATOM 1140 O LYS A 142 10.763 40.197 57.221 1.00 25.33 O +ATOM 1141 CB LYS A 142 13.577 40.057 55.949 1.00 29.87 C +ATOM 1142 CG LYS A 142 14.752 39.499 55.196 1.00 29.20 C +ATOM 1143 CD LYS A 142 15.235 40.338 54.035 1.00 29.83 C +ATOM 1144 CE LYS A 142 16.298 39.608 53.196 1.00 30.02 C +ATOM 1145 NZ LYS A 142 17.637 40.222 53.393 1.00 28.42 N +ATOM 1146 N LEU A 143 12.175 40.733 58.824 1.00 30.47 N +ATOM 1147 CA LEU A 143 11.246 41.632 59.492 1.00 33.28 C +ATOM 1148 C LEU A 143 11.007 42.878 58.628 1.00 33.84 C +ATOM 1149 O LEU A 143 11.934 43.480 58.082 1.00 32.61 O +ATOM 1150 CB LEU A 143 11.716 42.150 60.849 1.00 34.49 C +ATOM 1151 CG LEU A 143 12.287 41.167 61.875 1.00 34.65 C +ATOM 1152 CD1 LEU A 143 12.939 41.940 63.027 1.00 34.18 C +ATOM 1153 CD2 LEU A 143 11.176 40.287 62.408 1.00 35.10 C +ATOM 1154 N ALA A 144 9.739 43.237 58.473 1.00 33.72 N +ATOM 1155 CA ALA A 144 9.510 44.427 57.641 1.00 33.00 C +ATOM 1156 C ALA A 144 8.546 45.308 58.432 1.00 33.40 C +ATOM 1157 O ALA A 144 8.075 44.918 59.498 1.00 30.26 O +ATOM 1158 CB ALA A 144 9.005 44.049 56.269 1.00 33.17 C +ATOM 1159 N ASP A 145 8.322 46.456 57.820 1.00 34.50 N +ATOM 1160 CA ASP A 145 7.479 47.537 58.283 1.00 34.73 C +ATOM 1161 C ASP A 145 7.921 48.003 59.680 1.00 34.24 C +ATOM 1162 O ASP A 145 7.317 47.614 60.650 1.00 33.18 O +ATOM 1163 CB ASP A 145 5.981 47.257 58.266 1.00 36.88 C +ATOM 1164 CG ASP A 145 5.108 48.498 58.192 1.00 37.98 C +ATOM 1165 OD1 ASP A 145 5.561 49.620 58.481 1.00 38.60 O +ATOM 1166 OD2 ASP A 145 3.888 48.490 57.858 1.00 37.43 O +ATOM 1167 N PHE A 146 8.870 48.919 59.744 1.00 33.43 N +ATOM 1168 CA PHE A 146 9.358 49.543 60.943 1.00 34.57 C +ATOM 1169 C PHE A 146 8.595 50.829 61.239 1.00 35.97 C +ATOM 1170 O PHE A 146 9.053 51.684 62.007 1.00 34.99 O +ATOM 1171 CB PHE A 146 10.896 49.739 60.793 1.00 32.56 C +ATOM 1172 CG PHE A 146 11.605 48.428 61.067 1.00 29.41 C +ATOM 1173 CD1 PHE A 146 11.621 47.403 60.146 1.00 27.86 C +ATOM 1174 CD2 PHE A 146 12.188 48.225 62.310 1.00 27.60 C +ATOM 1175 CE1 PHE A 146 12.291 46.220 60.455 1.00 28.47 C +ATOM 1176 CE2 PHE A 146 12.837 47.039 62.609 1.00 26.76 C +ATOM 1177 CZ PHE A 146 12.897 46.019 61.694 1.00 25.66 C +ATOM 1178 N GLY A 147 7.429 51.042 60.615 1.00 36.46 N +ATOM 1179 CA GLY A 147 6.563 52.176 60.874 1.00 39.59 C +ATOM 1180 C GLY A 147 6.187 52.399 62.342 1.00 40.41 C +ATOM 1181 O GLY A 147 6.315 53.511 62.840 1.00 38.71 O +ATOM 1182 N LEU A 148 5.816 51.355 63.082 1.00 42.68 N +ATOM 1183 CA LEU A 148 5.565 51.509 64.503 1.00 46.00 C +ATOM 1184 C LEU A 148 6.802 51.288 65.381 1.00 44.55 C +ATOM 1185 O LEU A 148 6.605 51.218 66.605 1.00 45.69 O +ATOM 1186 CB LEU A 148 4.517 50.546 65.050 1.00 48.45 C +ATOM 1187 CG LEU A 148 3.047 50.570 64.681 1.00 51.09 C +ATOM 1188 CD1 LEU A 148 2.498 51.970 64.391 1.00 52.29 C +ATOM 1189 CD2 LEU A 148 2.719 49.649 63.530 1.00 51.34 C +ATOM 1190 N ALA A 149 8.017 51.122 64.859 1.00 41.75 N +ATOM 1191 CA ALA A 149 9.162 50.825 65.715 1.00 38.73 C +ATOM 1192 C ALA A 149 9.620 52.001 66.579 1.00 36.10 C +ATOM 1193 O ALA A 149 9.152 53.103 66.416 1.00 34.84 O +ATOM 1194 CB ALA A 149 10.352 50.221 65.008 1.00 35.84 C +ATOM 1195 N ARG A 150 10.525 51.741 67.519 1.00 34.57 N +ATOM 1196 CA ARG A 150 10.955 52.821 68.362 1.00 33.05 C +ATOM 1197 C ARG A 150 12.315 52.554 68.990 1.00 30.99 C +ATOM 1198 O ARG A 150 12.433 51.423 69.424 1.00 29.64 O +ATOM 1199 CB ARG A 150 10.043 52.967 69.602 1.00 35.08 C +ATOM 1200 CG ARG A 150 10.049 54.413 70.074 1.00 36.97 C +ATOM 1201 CD ARG A 150 9.807 54.526 71.564 1.00 37.38 C +ATOM 1202 NE ARG A 150 8.692 55.438 71.800 1.00 37.46 N +ATOM 1203 CZ ARG A 150 8.841 56.661 72.266 1.00 36.71 C +ATOM 1204 NH1 ARG A 150 10.018 57.171 72.562 1.00 35.15 N +ATOM 1205 NH2 ARG A 150 7.763 57.422 72.486 1.00 38.07 N +ATOM 1206 N ALA A 151 13.073 53.657 69.066 1.00 28.71 N +ATOM 1207 CA ALA A 151 14.348 53.558 69.748 1.00 27.03 C +ATOM 1208 C ALA A 151 13.973 53.415 71.214 1.00 27.06 C +ATOM 1209 O ALA A 151 13.147 54.271 71.556 1.00 29.91 O +ATOM 1210 CB ALA A 151 15.149 54.824 69.460 1.00 24.09 C +ATOM 1211 N PHE A 152 14.527 52.567 72.061 1.00 28.59 N +ATOM 1212 CA PHE A 152 14.162 52.554 73.500 1.00 29.24 C +ATOM 1213 C PHE A 152 15.323 52.855 74.452 1.00 30.51 C +ATOM 1214 O PHE A 152 16.483 52.908 74.028 1.00 32.99 O +ATOM 1215 CB PHE A 152 13.574 51.225 73.930 1.00 27.32 C +ATOM 1216 CG PHE A 152 14.356 49.947 73.852 1.00 24.56 C +ATOM 1217 CD1 PHE A 152 14.378 49.175 72.714 1.00 23.56 C +ATOM 1218 CD2 PHE A 152 15.032 49.470 74.963 1.00 23.20 C +ATOM 1219 CE1 PHE A 152 15.104 47.990 72.670 1.00 23.65 C +ATOM 1220 CE2 PHE A 152 15.723 48.286 74.941 1.00 20.74 C +ATOM 1221 CZ PHE A 152 15.789 47.542 73.786 1.00 22.43 C +ATOM 1222 N GLY A 153 15.109 53.122 75.737 1.00 30.65 N +ATOM 1223 CA GLY A 153 16.178 53.473 76.663 1.00 29.46 C +ATOM 1224 C GLY A 153 16.398 52.359 77.693 1.00 29.31 C +ATOM 1225 O GLY A 153 15.524 51.493 77.810 1.00 27.12 O +ATOM 1226 N VAL A 154 17.509 52.323 78.416 1.00 29.33 N +ATOM 1227 CA VAL A 154 17.770 51.305 79.432 1.00 33.15 C +ATOM 1228 C VAL A 154 17.499 51.987 80.713 1.00 34.10 C +ATOM 1229 O VAL A 154 18.561 52.625 80.704 1.00 33.96 O +ATOM 1230 CB VAL A 154 19.198 50.757 79.252 1.00 34.59 C +ATOM 1231 CG1 VAL A 154 19.632 49.695 80.232 1.00 33.46 C +ATOM 1232 CG2 VAL A 154 19.245 50.232 77.831 1.00 36.53 C +ATOM 1233 N PRO A 155 16.937 51.544 81.795 1.00 35.34 N +ATOM 1234 CA PRO A 155 15.589 51.073 81.912 1.00 35.31 C +ATOM 1235 C PRO A 155 14.646 51.857 80.987 1.00 36.11 C +ATOM 1236 O PRO A 155 14.944 53.019 80.639 1.00 35.06 O +ATOM 1237 CB PRO A 155 15.123 51.148 83.335 1.00 33.75 C +ATOM 1238 CG PRO A 155 15.939 52.180 83.953 1.00 33.30 C +ATOM 1239 CD PRO A 155 17.010 52.458 82.966 1.00 35.27 C +ATOM 1240 N VAL A 156 13.667 51.156 80.449 1.00 36.57 N +ATOM 1241 CA VAL A 156 12.770 51.876 79.529 1.00 39.36 C +ATOM 1242 C VAL A 156 11.903 52.819 80.373 1.00 40.41 C +ATOM 1243 O VAL A 156 11.894 52.777 81.591 1.00 39.48 O +ATOM 1244 CB VAL A 156 11.892 50.900 78.743 1.00 38.27 C +ATOM 1245 CG1 VAL A 156 12.709 49.834 78.049 1.00 37.12 C +ATOM 1246 CG2 VAL A 156 10.947 50.237 79.749 1.00 38.38 C +ATOM 1247 N ARG A 157 11.209 53.697 79.702 1.00 41.61 N +ATOM 1248 CA ARG A 157 10.204 54.638 80.037 1.00 41.18 C +ATOM 1249 C ARG A 157 8.878 54.043 79.446 1.00 40.46 C +ATOM 1250 O ARG A 157 8.928 53.134 78.629 1.00 35.49 O +ATOM 1251 CB ARG A 157 10.237 55.947 79.229 1.00 43.12 C +ATOM 1252 CG ARG A 157 11.190 57.081 79.424 1.00 43.25 C +ATOM 1253 CD ARG A 157 10.613 58.436 79.082 1.00 43.10 C +ATOM 1254 NE ARG A 157 10.182 58.691 77.728 1.00 42.50 N +ATOM 1255 CZ ARG A 157 11.040 58.948 76.733 1.00 42.22 C +ATOM 1256 NH1 ARG A 157 12.354 59.003 76.954 1.00 40.41 N +ATOM 1257 NH2 ARG A 157 10.468 59.149 75.551 1.00 39.65 N +ATOM 1258 N THR A 158 7.786 54.678 79.849 1.00 39.71 N +ATOM 1259 CA THR A 158 6.484 54.413 79.299 1.00 41.27 C +ATOM 1260 C THR A 158 6.509 54.919 77.851 1.00 42.44 C +ATOM 1261 O THR A 158 6.929 56.055 77.686 1.00 43.16 O +ATOM 1262 CB THR A 158 5.432 55.285 80.009 1.00 42.27 C +ATOM 1263 OG1 THR A 158 5.645 55.040 81.403 1.00 43.83 O +ATOM 1264 CG2 THR A 158 3.982 55.005 79.675 1.00 40.51 C +ATOM 1265 N TYR A 159 6.137 54.102 76.892 1.00 42.19 N +ATOM 1266 CA TYR A 159 6.022 54.387 75.502 1.00 41.98 C +ATOM 1267 C TYR A 159 4.523 54.356 75.167 1.00 43.46 C +ATOM 1268 O TYR A 159 3.709 54.202 76.075 1.00 41.17 O +ATOM 1269 CB TYR A 159 6.734 53.377 74.567 1.00 42.98 C +ATOM 1270 CG TYR A 159 8.182 53.315 75.042 1.00 42.72 C +ATOM 1271 CD1 TYR A 159 8.864 54.549 75.100 1.00 42.58 C +ATOM 1272 CD2 TYR A 159 8.798 52.170 75.439 1.00 39.51 C +ATOM 1273 CE1 TYR A 159 10.165 54.611 75.544 1.00 42.37 C +ATOM 1274 CE2 TYR A 159 10.113 52.240 75.862 1.00 41.55 C +ATOM 1275 CZ TYR A 159 10.766 53.443 75.941 1.00 42.12 C +ATOM 1276 OH TYR A 159 12.065 53.505 76.381 1.00 43.63 O +HETATM 1277 N TPO A 160 4.188 54.493 73.902 1.00 43.96 N +HETATM 1278 CA TPO A 160 2.819 54.526 73.477 1.00 47.58 C +HETATM 1279 CB TPO A 160 2.740 54.632 71.929 1.00 43.84 C +HETATM 1280 CG2 TPO A 160 1.294 54.566 71.418 1.00 39.20 C +HETATM 1281 OG1 TPO A 160 3.421 55.815 71.490 1.00 40.79 O +HETATM 1282 P TPO A 160 4.864 55.763 70.749 1.00 38.58 P +HETATM 1283 O1P TPO A 160 5.344 57.137 70.522 1.00 38.50 O +HETATM 1284 O2P TPO A 160 5.917 54.980 71.667 1.00 40.29 O +HETATM 1285 O3P TPO A 160 4.683 54.958 69.394 1.00 39.38 O +HETATM 1286 C TPO A 160 2.113 53.248 73.913 1.00 53.02 C +HETATM 1287 O TPO A 160 2.779 52.238 73.859 1.00 52.70 O +ATOM 1288 N HIS A 161 0.844 53.296 74.222 1.00 61.34 N +ATOM 1289 CA HIS A 161 0.111 52.130 74.646 1.00 69.35 C +ATOM 1290 C HIS A 161 -0.640 51.409 73.548 1.00 70.81 C +ATOM 1291 O HIS A 161 -0.753 50.183 73.408 1.00 70.02 O +ATOM 1292 CB HIS A 161 -0.811 52.607 75.798 1.00 75.08 C +ATOM 1293 CG HIS A 161 -1.417 51.307 76.260 1.00 81.34 C +ATOM 1294 ND1 HIS A 161 -2.738 51.005 76.024 1.00 83.27 N +ATOM 1295 CD2 HIS A 161 -0.831 50.223 76.821 1.00 82.94 C +ATOM 1296 CE1 HIS A 161 -2.964 49.785 76.476 1.00 84.41 C +ATOM 1297 NE2 HIS A 161 -1.839 49.300 76.966 1.00 84.12 N +ATOM 1298 N GLU A 162 -1.166 52.208 72.642 1.00 72.51 N +ATOM 1299 CA GLU A 162 -1.846 51.789 71.412 1.00 73.94 C +ATOM 1300 C GLU A 162 -0.779 51.057 70.608 1.00 70.44 C +ATOM 1301 O GLU A 162 -0.129 51.705 69.775 1.00 70.71 O +ATOM 1302 CB GLU A 162 -2.204 53.103 70.730 1.00 77.43 C +ATOM 1303 CG GLU A 162 -2.724 54.240 71.530 1.00 82.43 C +ATOM 1304 CD GLU A 162 -2.215 54.923 72.757 1.00 84.15 C +ATOM 1305 OE1 GLU A 162 -1.372 55.845 72.693 1.00 84.38 O +ATOM 1306 OE2 GLU A 162 -2.706 54.574 73.862 1.00 84.37 O +ATOM 1307 N VAL A 163 -0.460 49.796 70.881 1.00 64.52 N +ATOM 1308 CA VAL A 163 0.713 49.184 70.238 1.00 57.37 C +ATOM 1309 C VAL A 163 0.521 47.720 69.972 1.00 51.72 C +ATOM 1310 O VAL A 163 -0.013 46.965 70.784 1.00 47.35 O +ATOM 1311 CB VAL A 163 1.845 49.547 71.222 1.00 57.90 C +ATOM 1312 CG1 VAL A 163 2.614 48.347 71.716 1.00 58.30 C +ATOM 1313 CG2 VAL A 163 2.784 50.590 70.632 1.00 57.66 C +ATOM 1314 N VAL A 164 1.035 47.265 68.838 1.00 47.50 N +ATOM 1315 CA VAL A 164 1.020 45.894 68.334 1.00 44.03 C +ATOM 1316 C VAL A 164 -0.337 45.468 67.774 1.00 41.96 C +ATOM 1317 O VAL A 164 -1.351 45.820 68.399 1.00 40.41 O +ATOM 1318 CB VAL A 164 1.469 44.861 69.384 1.00 43.23 C +ATOM 1319 CG1 VAL A 164 1.507 43.444 68.819 1.00 43.09 C +ATOM 1320 CG2 VAL A 164 2.826 45.161 69.989 1.00 42.25 C +ATOM 1321 N THR A 165 -0.461 44.691 66.695 1.00 38.96 N +ATOM 1322 CA THR A 165 -1.796 44.263 66.210 1.00 37.94 C +ATOM 1323 C THR A 165 -2.519 43.432 67.254 1.00 38.41 C +ATOM 1324 O THR A 165 -1.922 42.553 67.867 1.00 38.89 O +ATOM 1325 CB THR A 165 -1.660 43.535 64.877 1.00 37.16 C +ATOM 1326 OG1 THR A 165 -1.514 44.571 63.881 1.00 40.04 O +ATOM 1327 CG2 THR A 165 -2.825 42.739 64.357 1.00 35.13 C +ATOM 1328 N LEU A 166 -3.814 43.539 67.495 1.00 37.15 N +ATOM 1329 CA LEU A 166 -4.472 42.882 68.593 1.00 36.80 C +ATOM 1330 C LEU A 166 -4.106 41.437 68.888 1.00 36.58 C +ATOM 1331 O LEU A 166 -3.757 41.063 70.014 1.00 34.96 O +ATOM 1332 CB LEU A 166 -6.001 42.984 68.435 1.00 35.61 C +ATOM 1333 CG LEU A 166 -6.702 42.602 69.745 1.00 36.94 C +ATOM 1334 CD1 LEU A 166 -6.383 43.619 70.841 1.00 34.75 C +ATOM 1335 CD2 LEU A 166 -8.212 42.484 69.560 1.00 37.08 C +ATOM 1336 N TRP A 167 -4.209 40.532 67.922 1.00 36.02 N +ATOM 1337 CA TRP A 167 -3.930 39.120 68.055 1.00 35.05 C +ATOM 1338 C TRP A 167 -2.524 38.715 68.489 1.00 34.57 C +ATOM 1339 O TRP A 167 -2.266 37.600 68.938 1.00 32.15 O +ATOM 1340 CB TRP A 167 -4.053 38.545 66.626 1.00 34.05 C +ATOM 1341 CG TRP A 167 -5.437 38.533 66.102 1.00 32.52 C +ATOM 1342 CD1 TRP A 167 -6.584 39.046 66.650 1.00 33.38 C +ATOM 1343 CD2 TRP A 167 -5.823 38.019 64.830 1.00 31.54 C +ATOM 1344 NE1 TRP A 167 -7.677 38.831 65.819 1.00 31.00 N +ATOM 1345 CE2 TRP A 167 -7.217 38.222 64.693 1.00 30.71 C +ATOM 1346 CE3 TRP A 167 -5.117 37.399 63.798 1.00 31.22 C +ATOM 1347 CZ2 TRP A 167 -7.901 37.790 63.571 1.00 31.16 C +ATOM 1348 CZ3 TRP A 167 -5.816 37.006 62.673 1.00 31.09 C +ATOM 1349 CH2 TRP A 167 -7.199 37.172 62.570 1.00 29.73 C +ATOM 1350 N TYR A 168 -1.574 39.613 68.224 1.00 33.51 N +ATOM 1351 CA TYR A 168 -0.183 39.365 68.492 1.00 33.90 C +ATOM 1352 C TYR A 168 0.315 40.172 69.685 1.00 34.70 C +ATOM 1353 O TYR A 168 1.511 40.204 69.973 1.00 35.39 O +ATOM 1354 CB TYR A 168 0.644 39.718 67.232 1.00 31.94 C +ATOM 1355 CG TYR A 168 0.202 38.832 66.093 1.00 30.53 C +ATOM 1356 CD1 TYR A 168 0.602 37.529 65.937 1.00 29.15 C +ATOM 1357 CD2 TYR A 168 -0.698 39.357 65.175 1.00 31.49 C +ATOM 1358 CE1 TYR A 168 0.118 36.765 64.897 1.00 28.55 C +ATOM 1359 CE2 TYR A 168 -1.192 38.594 64.135 1.00 29.26 C +ATOM 1360 CZ TYR A 168 -0.789 37.290 64.009 1.00 28.19 C +ATOM 1361 OH TYR A 168 -1.268 36.579 62.960 1.00 26.48 O +ATOM 1362 N ARG A 169 -0.598 40.828 70.361 1.00 33.62 N +ATOM 1363 CA ARG A 169 -0.306 41.740 71.440 1.00 33.86 C +ATOM 1364 C ARG A 169 -0.047 41.089 72.783 1.00 36.62 C +ATOM 1365 O ARG A 169 -0.783 40.148 73.124 1.00 38.01 O +ATOM 1366 CB ARG A 169 -1.493 42.711 71.541 1.00 32.18 C +ATOM 1367 CG ARG A 169 -1.115 43.868 72.408 1.00 33.20 C +ATOM 1368 CD ARG A 169 -2.202 44.887 72.684 1.00 33.74 C +ATOM 1369 NE ARG A 169 -2.540 45.499 71.413 1.00 33.48 N +ATOM 1370 CZ ARG A 169 -3.631 46.169 71.097 1.00 33.75 C +ATOM 1371 NH1 ARG A 169 -4.558 46.393 72.020 1.00 33.72 N +ATOM 1372 NH2 ARG A 169 -3.710 46.535 69.835 1.00 32.96 N +ATOM 1373 N ALA A 170 0.912 41.588 73.564 1.00 36.40 N +ATOM 1374 CA ALA A 170 1.240 40.939 74.818 1.00 37.43 C +ATOM 1375 C ALA A 170 0.361 41.246 75.996 1.00 38.10 C +ATOM 1376 O ALA A 170 -0.142 42.359 76.138 1.00 39.30 O +ATOM 1377 CB ALA A 170 2.671 41.316 75.216 1.00 37.65 C +ATOM 1378 N PRO A 171 0.293 40.308 76.946 1.00 37.62 N +ATOM 1379 CA PRO A 171 -0.501 40.522 78.164 1.00 35.15 C +ATOM 1380 C PRO A 171 -0.063 41.715 78.959 1.00 33.00 C +ATOM 1381 O PRO A 171 -0.927 42.352 79.551 1.00 32.54 O +ATOM 1382 CB PRO A 171 -0.469 39.195 78.868 1.00 35.51 C +ATOM 1383 CG PRO A 171 0.663 38.431 78.287 1.00 36.78 C +ATOM 1384 CD PRO A 171 0.911 38.980 76.891 1.00 36.85 C +ATOM 1385 N GLU A 172 1.169 42.185 79.048 1.00 33.07 N +ATOM 1386 CA GLU A 172 1.604 43.394 79.692 1.00 30.71 C +ATOM 1387 C GLU A 172 0.870 44.594 79.032 1.00 31.31 C +ATOM 1388 O GLU A 172 0.548 45.584 79.684 1.00 29.46 O +ATOM 1389 CB GLU A 172 3.021 43.705 79.288 1.00 31.72 C +ATOM 1390 CG GLU A 172 4.139 42.763 79.390 1.00 31.67 C +ATOM 1391 CD GLU A 172 4.251 41.732 78.315 1.00 31.72 C +ATOM 1392 OE1 GLU A 172 5.221 41.713 77.558 1.00 27.77 O +ATOM 1393 OE2 GLU A 172 3.288 40.917 78.308 1.00 34.91 O +ATOM 1394 N ILE A 173 0.706 44.517 77.688 1.00 31.29 N +ATOM 1395 CA ILE A 173 0.093 45.623 77.005 1.00 33.85 C +ATOM 1396 C ILE A 173 -1.400 45.625 77.275 1.00 33.13 C +ATOM 1397 O ILE A 173 -1.831 46.647 77.785 1.00 35.15 O +ATOM 1398 CB ILE A 173 0.309 45.796 75.499 1.00 35.99 C +ATOM 1399 CG1 ILE A 173 1.811 45.889 75.233 1.00 34.94 C +ATOM 1400 CG2 ILE A 173 -0.448 47.018 74.983 1.00 33.65 C +ATOM 1401 CD1 ILE A 173 2.162 45.607 73.803 1.00 36.29 C +ATOM 1402 N LEU A 174 -2.071 44.524 77.111 1.00 33.44 N +ATOM 1403 CA LEU A 174 -3.487 44.428 77.356 1.00 33.62 C +ATOM 1404 C LEU A 174 -3.791 44.786 78.797 1.00 33.74 C +ATOM 1405 O LEU A 174 -4.911 45.304 78.958 1.00 34.30 O +ATOM 1406 CB LEU A 174 -4.072 43.073 76.993 1.00 33.81 C +ATOM 1407 CG LEU A 174 -3.955 42.583 75.552 1.00 35.58 C +ATOM 1408 CD1 LEU A 174 -4.173 41.075 75.459 1.00 34.99 C +ATOM 1409 CD2 LEU A 174 -4.912 43.305 74.604 1.00 33.87 C +ATOM 1410 N LEU A 175 -2.952 44.579 79.778 1.00 33.20 N +ATOM 1411 CA LEU A 175 -3.388 44.974 81.115 1.00 35.50 C +ATOM 1412 C LEU A 175 -2.846 46.320 81.567 1.00 38.79 C +ATOM 1413 O LEU A 175 -2.919 46.545 82.786 1.00 37.16 O +ATOM 1414 CB LEU A 175 -2.955 43.901 82.104 1.00 35.12 C +ATOM 1415 CG LEU A 175 -3.481 42.496 81.875 1.00 32.19 C +ATOM 1416 CD1 LEU A 175 -2.516 41.478 82.411 1.00 30.98 C +ATOM 1417 CD2 LEU A 175 -4.839 42.380 82.531 1.00 29.96 C +ATOM 1418 N GLY A 176 -2.239 47.130 80.696 1.00 41.38 N +ATOM 1419 CA GLY A 176 -1.864 48.455 81.072 1.00 45.13 C +ATOM 1420 C GLY A 176 -0.613 48.696 81.850 1.00 48.35 C +ATOM 1421 O GLY A 176 -0.532 49.753 82.462 1.00 48.72 O +ATOM 1422 N CYS A 177 0.347 47.795 81.792 1.00 52.40 N +ATOM 1423 CA CYS A 177 1.608 47.974 82.496 1.00 58.19 C +ATOM 1424 C CYS A 177 2.261 49.261 82.036 1.00 62.62 C +ATOM 1425 O CYS A 177 2.331 49.470 80.823 1.00 63.17 O +ATOM 1426 CB CYS A 177 2.516 46.760 82.295 1.00 57.95 C +ATOM 1427 SG CYS A 177 4.113 46.981 83.110 1.00 56.84 S +ATOM 1428 N LYS A 178 2.761 50.124 82.920 1.00 67.97 N +ATOM 1429 CA LYS A 178 3.301 51.391 82.409 1.00 72.82 C +ATOM 1430 C LYS A 178 4.621 51.267 81.678 1.00 72.35 C +ATOM 1431 O LYS A 178 5.050 52.166 80.956 1.00 72.10 O +ATOM 1432 CB LYS A 178 3.352 52.468 83.486 1.00 77.06 C +ATOM 1433 CG LYS A 178 3.984 52.017 84.785 1.00 80.72 C +ATOM 1434 CD LYS A 178 3.518 52.880 85.951 1.00 83.88 C +ATOM 1435 CE LYS A 178 4.327 54.156 86.091 1.00 86.28 C +ATOM 1436 NZ LYS A 178 3.880 54.957 87.271 1.00 86.39 N +ATOM 1437 N TYR A 179 5.327 50.172 81.887 1.00 72.43 N +ATOM 1438 CA TYR A 179 6.587 49.886 81.262 1.00 72.33 C +ATOM 1439 C TYR A 179 6.489 48.605 80.451 1.00 68.10 C +ATOM 1440 O TYR A 179 6.000 47.629 81.002 1.00 68.21 O +ATOM 1441 CB TYR A 179 7.661 49.678 82.346 1.00 77.01 C +ATOM 1442 CG TYR A 179 7.844 50.961 83.126 1.00 81.12 C +ATOM 1443 CD1 TYR A 179 8.579 51.994 82.587 1.00 82.77 C +ATOM 1444 CD2 TYR A 179 7.229 51.141 84.353 1.00 82.95 C +ATOM 1445 CE1 TYR A 179 8.724 53.179 83.276 1.00 84.49 C +ATOM 1446 CE2 TYR A 179 7.373 52.328 85.042 1.00 84.63 C +ATOM 1447 CZ TYR A 179 8.118 53.345 84.498 1.00 85.13 C +ATOM 1448 OH TYR A 179 8.282 54.531 85.167 1.00 85.29 O +ATOM 1449 N TYR A 180 6.814 48.630 79.176 1.00 61.86 N +ATOM 1450 CA TYR A 180 6.877 47.466 78.333 1.00 55.63 C +ATOM 1451 C TYR A 180 8.213 47.602 77.554 1.00 52.49 C +ATOM 1452 O TYR A 180 8.880 48.617 77.339 1.00 51.84 O +ATOM 1453 CB TYR A 180 5.753 47.061 77.393 1.00 52.70 C +ATOM 1454 CG TYR A 180 5.583 48.037 76.238 1.00 50.24 C +ATOM 1455 CD1 TYR A 180 6.383 48.105 75.120 1.00 46.88 C +ATOM 1456 CD2 TYR A 180 4.561 48.965 76.384 1.00 49.99 C +ATOM 1457 CE1 TYR A 180 6.145 49.071 74.197 1.00 47.37 C +ATOM 1458 CE2 TYR A 180 4.329 49.951 75.445 1.00 48.14 C +ATOM 1459 CZ TYR A 180 5.129 49.994 74.346 1.00 47.23 C +ATOM 1460 OH TYR A 180 4.907 50.955 73.397 1.00 47.12 O +ATOM 1461 N SER A 181 8.605 46.403 77.120 1.00 48.30 N +ATOM 1462 CA SER A 181 9.833 46.253 76.376 1.00 43.31 C +ATOM 1463 C SER A 181 9.776 45.136 75.358 1.00 36.80 C +ATOM 1464 O SER A 181 8.836 44.732 74.698 1.00 35.11 O +ATOM 1465 CB SER A 181 11.027 46.085 77.333 1.00 44.84 C +ATOM 1466 OG SER A 181 12.243 46.537 76.727 1.00 45.94 O +ATOM 1467 N THR A 182 10.983 44.652 75.133 1.00 31.79 N +ATOM 1468 CA THR A 182 11.467 43.706 74.206 1.00 28.35 C +ATOM 1469 C THR A 182 10.686 42.389 74.318 1.00 28.85 C +ATOM 1470 O THR A 182 10.382 41.766 73.290 1.00 27.54 O +ATOM 1471 CB THR A 182 12.930 43.334 74.426 1.00 28.80 C +ATOM 1472 OG1 THR A 182 12.920 42.625 75.698 1.00 30.76 O +ATOM 1473 CG2 THR A 182 13.900 44.476 74.337 1.00 25.86 C +ATOM 1474 N ALA A 183 10.275 42.035 75.518 1.00 26.52 N +ATOM 1475 CA ALA A 183 9.404 40.935 75.790 1.00 27.07 C +ATOM 1476 C ALA A 183 8.165 41.026 74.897 1.00 27.28 C +ATOM 1477 O ALA A 183 7.725 39.918 74.520 1.00 26.89 O +ATOM 1478 CB ALA A 183 8.984 40.826 77.245 1.00 26.29 C +ATOM 1479 N VAL A 184 7.654 42.181 74.505 1.00 27.47 N +ATOM 1480 CA VAL A 184 6.521 42.229 73.597 1.00 29.48 C +ATOM 1481 C VAL A 184 6.847 41.729 72.192 1.00 31.01 C +ATOM 1482 O VAL A 184 6.002 41.079 71.575 1.00 32.84 O +ATOM 1483 CB VAL A 184 5.805 43.563 73.396 1.00 30.29 C +ATOM 1484 CG1 VAL A 184 5.459 44.243 74.736 1.00 29.23 C +ATOM 1485 CG2 VAL A 184 6.544 44.535 72.498 1.00 27.94 C +ATOM 1486 N ASP A 185 8.016 42.012 71.642 1.00 31.67 N +ATOM 1487 CA ASP A 185 8.328 41.482 70.309 1.00 30.73 C +ATOM 1488 C ASP A 185 8.349 39.947 70.357 1.00 30.02 C +ATOM 1489 O ASP A 185 7.827 39.301 69.453 1.00 27.40 O +ATOM 1490 CB ASP A 185 9.635 42.116 69.826 1.00 29.92 C +ATOM 1491 CG ASP A 185 9.411 43.511 69.300 1.00 30.26 C +ATOM 1492 OD1 ASP A 185 8.209 43.784 69.064 1.00 29.59 O +ATOM 1493 OD2 ASP A 185 10.419 44.226 69.101 1.00 30.49 O +ATOM 1494 N ILE A 186 8.940 39.338 71.380 1.00 29.94 N +ATOM 1495 CA ILE A 186 9.037 37.901 71.524 1.00 31.65 C +ATOM 1496 C ILE A 186 7.696 37.201 71.581 1.00 30.67 C +ATOM 1497 O ILE A 186 7.470 36.199 70.937 1.00 30.72 O +ATOM 1498 CB ILE A 186 9.925 37.531 72.733 1.00 34.53 C +ATOM 1499 CG1 ILE A 186 11.418 37.859 72.384 1.00 35.34 C +ATOM 1500 CG2 ILE A 186 9.882 36.059 73.130 1.00 32.51 C +ATOM 1501 CD1 ILE A 186 11.974 36.938 71.309 1.00 34.13 C +ATOM 1502 N TRP A 187 6.735 37.753 72.277 1.00 31.94 N +ATOM 1503 CA TRP A 187 5.376 37.365 72.439 1.00 31.26 C +ATOM 1504 C TRP A 187 4.733 37.305 71.068 1.00 32.59 C +ATOM 1505 O TRP A 187 3.995 36.344 70.877 1.00 33.28 O +ATOM 1506 CB TRP A 187 4.596 38.361 73.339 1.00 32.41 C +ATOM 1507 CG TRP A 187 3.169 37.871 73.453 1.00 32.46 C +ATOM 1508 CD1 TRP A 187 2.155 38.197 72.590 1.00 30.92 C +ATOM 1509 CD2 TRP A 187 2.632 36.949 74.413 1.00 30.70 C +ATOM 1510 NE1 TRP A 187 1.032 37.523 72.954 1.00 30.89 N +ATOM 1511 CE2 TRP A 187 1.287 36.764 74.074 1.00 30.79 C +ATOM 1512 CE3 TRP A 187 3.134 36.289 75.521 1.00 31.50 C +ATOM 1513 CZ2 TRP A 187 0.412 35.956 74.817 1.00 30.28 C +ATOM 1514 CZ3 TRP A 187 2.272 35.472 76.257 1.00 31.73 C +ATOM 1515 CH2 TRP A 187 0.924 35.313 75.889 1.00 29.76 C +ATOM 1516 N SER A 188 4.993 38.244 70.173 1.00 33.31 N +ATOM 1517 CA SER A 188 4.423 38.205 68.836 1.00 35.54 C +ATOM 1518 C SER A 188 5.036 37.058 68.025 1.00 35.01 C +ATOM 1519 O SER A 188 4.377 36.431 67.193 1.00 36.66 O +ATOM 1520 CB SER A 188 4.615 39.535 68.071 1.00 36.27 C +ATOM 1521 OG SER A 188 4.114 40.594 68.843 1.00 37.27 O +ATOM 1522 N LEU A 189 6.285 36.746 68.279 1.00 34.63 N +ATOM 1523 CA LEU A 189 6.985 35.673 67.601 1.00 34.62 C +ATOM 1524 C LEU A 189 6.486 34.343 68.154 1.00 31.86 C +ATOM 1525 O LEU A 189 6.498 33.344 67.434 1.00 28.56 O +ATOM 1526 CB LEU A 189 8.497 35.833 67.794 1.00 37.97 C +ATOM 1527 CG LEU A 189 9.182 36.755 66.782 1.00 41.13 C +ATOM 1528 CD1 LEU A 189 10.677 36.487 66.838 1.00 40.48 C +ATOM 1529 CD2 LEU A 189 8.548 36.624 65.397 1.00 40.27 C +ATOM 1530 N GLY A 190 6.129 34.392 69.442 1.00 28.32 N +ATOM 1531 CA GLY A 190 5.533 33.213 70.038 1.00 30.86 C +ATOM 1532 C GLY A 190 4.226 32.869 69.275 1.00 33.10 C +ATOM 1533 O GLY A 190 4.121 31.783 68.700 1.00 30.73 O +ATOM 1534 N CYS A 191 3.323 33.862 69.132 1.00 32.94 N +ATOM 1535 CA CYS A 191 2.061 33.643 68.445 1.00 31.29 C +ATOM 1536 C CYS A 191 2.305 33.203 67.011 1.00 33.13 C +ATOM 1537 O CYS A 191 1.672 32.249 66.524 1.00 31.05 O +ATOM 1538 CB CYS A 191 1.278 34.940 68.535 1.00 28.82 C +ATOM 1539 SG CYS A 191 0.871 35.522 70.183 1.00 22.51 S +ATOM 1540 N ILE A 192 3.217 33.958 66.360 1.00 33.49 N +ATOM 1541 CA ILE A 192 3.585 33.621 64.984 1.00 34.07 C +ATOM 1542 C ILE A 192 4.158 32.212 64.845 1.00 34.88 C +ATOM 1543 O ILE A 192 3.989 31.569 63.793 1.00 33.28 O +ATOM 1544 CB ILE A 192 4.612 34.629 64.427 1.00 33.60 C +ATOM 1545 CG1 ILE A 192 3.899 35.937 64.120 1.00 33.83 C +ATOM 1546 CG2 ILE A 192 5.330 34.181 63.140 1.00 34.01 C +ATOM 1547 CD1 ILE A 192 4.812 37.139 64.052 1.00 34.09 C +ATOM 1548 N PHE A 193 4.927 31.723 65.824 1.00 35.13 N +ATOM 1549 CA PHE A 193 5.501 30.381 65.673 1.00 36.44 C +ATOM 1550 C PHE A 193 4.405 29.315 65.686 1.00 37.20 C +ATOM 1551 O PHE A 193 4.326 28.341 64.898 1.00 36.20 O +ATOM 1552 CB PHE A 193 6.544 30.226 66.777 1.00 36.27 C +ATOM 1553 CG PHE A 193 7.155 28.887 66.988 1.00 36.93 C +ATOM 1554 CD1 PHE A 193 7.232 27.868 66.029 1.00 36.30 C +ATOM 1555 CD2 PHE A 193 7.668 28.628 68.255 1.00 35.53 C +ATOM 1556 CE1 PHE A 193 7.798 26.640 66.347 1.00 34.03 C +ATOM 1557 CE2 PHE A 193 8.242 27.427 68.569 1.00 33.94 C +ATOM 1558 CZ PHE A 193 8.286 26.430 67.610 1.00 33.67 C +ATOM 1559 N ALA A 194 3.448 29.570 66.581 1.00 35.15 N +ATOM 1560 CA ALA A 194 2.333 28.691 66.841 1.00 35.46 C +ATOM 1561 C ALA A 194 1.459 28.628 65.620 1.00 36.48 C +ATOM 1562 O ALA A 194 0.945 27.556 65.304 1.00 37.77 O +ATOM 1563 CB ALA A 194 1.611 29.087 68.134 1.00 33.41 C +ATOM 1564 N GLU A 195 1.367 29.703 64.868 1.00 37.88 N +ATOM 1565 CA GLU A 195 0.598 29.896 63.652 1.00 37.61 C +ATOM 1566 C GLU A 195 1.268 29.287 62.454 1.00 39.16 C +ATOM 1567 O GLU A 195 0.663 28.728 61.524 1.00 39.59 O +ATOM 1568 CB GLU A 195 0.350 31.394 63.454 1.00 37.67 C +ATOM 1569 CG GLU A 195 -0.597 31.943 62.460 1.00 37.04 C +ATOM 1570 CD GLU A 195 -0.971 33.392 62.327 1.00 38.83 C +ATOM 1571 OE1 GLU A 195 -0.912 34.247 63.252 1.00 37.76 O +ATOM 1572 OE2 GLU A 195 -1.422 33.761 61.187 1.00 38.03 O +ATOM 1573 N MET A 196 2.604 29.316 62.458 1.00 41.98 N +ATOM 1574 CA MET A 196 3.313 28.672 61.321 1.00 42.83 C +ATOM 1575 C MET A 196 2.960 27.197 61.390 1.00 45.73 C +ATOM 1576 O MET A 196 2.717 26.578 60.378 1.00 47.04 O +ATOM 1577 CB MET A 196 4.770 29.083 61.355 1.00 38.75 C +ATOM 1578 CG MET A 196 5.151 30.212 60.429 1.00 34.84 C +ATOM 1579 SD MET A 196 6.921 30.506 60.267 1.00 30.51 S +ATOM 1580 CE MET A 196 7.425 30.430 61.969 1.00 27.52 C +ATOM 1581 N VAL A 197 2.832 26.563 62.539 1.00 49.89 N +ATOM 1582 CA VAL A 197 2.497 25.203 62.823 1.00 52.46 C +ATOM 1583 C VAL A 197 1.041 24.813 62.622 1.00 55.45 C +ATOM 1584 O VAL A 197 0.758 23.819 61.976 1.00 54.80 O +ATOM 1585 CB VAL A 197 2.796 24.836 64.306 1.00 52.20 C +ATOM 1586 CG1 VAL A 197 2.577 23.337 64.541 1.00 52.66 C +ATOM 1587 CG2 VAL A 197 4.189 25.207 64.755 1.00 51.32 C +ATOM 1588 N THR A 198 0.109 25.477 63.296 1.00 58.67 N +ATOM 1589 CA THR A 198 -1.313 25.158 63.288 1.00 60.68 C +ATOM 1590 C THR A 198 -2.096 25.738 62.118 1.00 63.26 C +ATOM 1591 O THR A 198 -3.217 25.390 61.761 1.00 62.08 O +ATOM 1592 CB THR A 198 -1.919 25.605 64.632 1.00 60.02 C +ATOM 1593 OG1 THR A 198 -2.148 27.017 64.674 1.00 58.90 O +ATOM 1594 CG2 THR A 198 -1.021 25.237 65.801 1.00 58.63 C +ATOM 1595 N ARG A 199 -1.467 26.646 61.409 1.00 66.55 N +ATOM 1596 CA ARG A 199 -1.817 27.434 60.263 1.00 70.61 C +ATOM 1597 C ARG A 199 -3.052 28.297 60.534 1.00 70.92 C +ATOM 1598 O ARG A 199 -3.892 28.544 59.674 1.00 71.67 O +ATOM 1599 CB ARG A 199 -2.003 26.699 58.954 1.00 73.45 C +ATOM 1600 CG ARG A 199 -0.841 26.347 58.066 1.00 76.07 C +ATOM 1601 CD ARG A 199 -1.193 25.546 56.840 1.00 78.57 C +ATOM 1602 NE ARG A 199 -2.066 24.418 56.855 1.00 80.82 N +ATOM 1603 CZ ARG A 199 -1.902 23.131 57.078 1.00 82.45 C +ATOM 1604 NH1 ARG A 199 -0.716 22.652 57.418 1.00 83.79 N +ATOM 1605 NH2 ARG A 199 -2.948 22.315 56.973 1.00 84.45 N +ATOM 1606 N ARG A 200 -3.167 28.787 61.751 1.00 71.11 N +ATOM 1607 CA ARG A 200 -4.325 29.608 62.128 1.00 71.26 C +ATOM 1608 C ARG A 200 -3.858 30.432 63.310 1.00 67.04 C +ATOM 1609 O ARG A 200 -2.985 29.950 64.023 1.00 66.27 O +ATOM 1610 CB ARG A 200 -5.485 28.654 62.325 1.00 76.49 C +ATOM 1611 CG ARG A 200 -5.637 28.051 63.687 1.00 83.04 C +ATOM 1612 CD ARG A 200 -5.864 26.549 63.682 1.00 88.62 C +ATOM 1613 NE ARG A 200 -6.414 26.104 64.972 1.00 93.98 N +ATOM 1614 CZ ARG A 200 -7.705 26.293 65.262 1.00 97.26 C +ATOM 1615 NH1 ARG A 200 -8.525 26.869 64.389 1.00 98.38 N +ATOM 1616 NH2 ARG A 200 -8.172 25.885 66.435 1.00 98.32 N +ATOM 1617 N ALA A 201 -4.232 31.670 63.485 1.00 62.85 N +ATOM 1618 CA ALA A 201 -3.763 32.520 64.563 1.00 60.05 C +ATOM 1619 C ALA A 201 -4.052 31.906 65.930 1.00 57.86 C +ATOM 1620 O ALA A 201 -5.101 31.277 66.095 1.00 58.39 O +ATOM 1621 CB ALA A 201 -4.404 33.894 64.430 1.00 60.02 C +ATOM 1622 N LEU A 202 -3.144 32.076 66.890 1.00 53.57 N +ATOM 1623 CA LEU A 202 -3.315 31.465 68.195 1.00 50.09 C +ATOM 1624 C LEU A 202 -4.391 32.131 69.011 1.00 46.44 C +ATOM 1625 O LEU A 202 -5.222 31.520 69.669 1.00 46.89 O +ATOM 1626 CB LEU A 202 -1.949 31.465 68.876 1.00 51.18 C +ATOM 1627 CG LEU A 202 -1.797 30.898 70.288 1.00 51.71 C +ATOM 1628 CD1 LEU A 202 -2.343 29.476 70.368 1.00 51.36 C +ATOM 1629 CD2 LEU A 202 -0.313 30.926 70.630 1.00 51.85 C +ATOM 1630 N PHE A 203 -4.388 33.454 69.082 1.00 43.83 N +ATOM 1631 CA PHE A 203 -5.361 34.221 69.841 1.00 40.37 C +ATOM 1632 C PHE A 203 -6.048 35.278 68.983 1.00 36.16 C +ATOM 1633 O PHE A 203 -5.810 36.485 69.115 1.00 35.67 O +ATOM 1634 CB PHE A 203 -4.719 34.896 71.061 1.00 40.16 C +ATOM 1635 CG PHE A 203 -3.796 34.053 71.862 1.00 39.20 C +ATOM 1636 CD1 PHE A 203 -4.278 32.896 72.456 1.00 38.66 C +ATOM 1637 CD2 PHE A 203 -2.468 34.400 72.042 1.00 39.58 C +ATOM 1638 CE1 PHE A 203 -3.438 32.073 73.183 1.00 37.42 C +ATOM 1639 CE2 PHE A 203 -1.632 33.594 72.814 1.00 38.91 C +ATOM 1640 CZ PHE A 203 -2.127 32.435 73.371 1.00 38.26 C +ATOM 1641 N PRO A 204 -6.960 34.860 68.142 1.00 33.56 N +ATOM 1642 CA PRO A 204 -7.659 35.826 67.302 1.00 34.24 C +ATOM 1643 C PRO A 204 -8.705 36.606 68.072 1.00 34.21 C +ATOM 1644 O PRO A 204 -9.852 36.449 67.723 1.00 31.23 O +ATOM 1645 CB PRO A 204 -8.312 34.929 66.244 1.00 33.90 C +ATOM 1646 CG PRO A 204 -8.520 33.622 66.928 1.00 32.57 C +ATOM 1647 CD PRO A 204 -7.379 33.470 67.882 1.00 31.57 C +ATOM 1648 N GLY A 205 -8.479 37.436 69.064 1.00 37.47 N +ATOM 1649 CA GLY A 205 -9.537 38.123 69.771 1.00 42.25 C +ATOM 1650 C GLY A 205 -10.236 39.114 68.846 1.00 47.19 C +ATOM 1651 O GLY A 205 -9.791 39.408 67.731 1.00 49.75 O +ATOM 1652 N ASP A 206 -11.345 39.666 69.290 1.00 48.73 N +ATOM 1653 CA ASP A 206 -12.167 40.617 68.577 1.00 50.01 C +ATOM 1654 C ASP A 206 -12.190 41.897 69.408 1.00 47.46 C +ATOM 1655 O ASP A 206 -12.714 42.910 68.965 1.00 46.72 O +ATOM 1656 CB ASP A 206 -13.590 40.075 68.367 1.00 56.27 C +ATOM 1657 CG ASP A 206 -13.678 38.808 67.512 1.00 60.97 C +ATOM 1658 OD1 ASP A 206 -14.213 37.745 67.946 1.00 62.30 O +ATOM 1659 OD2 ASP A 206 -13.160 38.938 66.357 1.00 62.35 O +ATOM 1660 N SER A 207 -11.553 41.870 70.589 1.00 44.78 N +ATOM 1661 CA SER A 207 -11.473 43.031 71.459 1.00 40.53 C +ATOM 1662 C SER A 207 -10.400 42.888 72.529 1.00 38.98 C +ATOM 1663 O SER A 207 -9.863 41.792 72.663 1.00 37.41 O +ATOM 1664 CB SER A 207 -12.830 43.288 72.112 1.00 39.79 C +ATOM 1665 OG SER A 207 -13.277 42.233 72.926 1.00 39.23 O +ATOM 1666 N GLU A 208 -10.093 43.907 73.349 1.00 36.65 N +ATOM 1667 CA GLU A 208 -9.117 43.644 74.377 1.00 37.55 C +ATOM 1668 C GLU A 208 -9.451 42.508 75.334 1.00 36.80 C +ATOM 1669 O GLU A 208 -8.662 41.593 75.596 1.00 34.36 O +ATOM 1670 CB GLU A 208 -8.855 44.896 75.184 1.00 40.10 C +ATOM 1671 CG GLU A 208 -7.873 45.698 74.291 1.00 44.72 C +ATOM 1672 CD GLU A 208 -7.756 47.076 74.898 1.00 46.98 C +ATOM 1673 OE1 GLU A 208 -7.654 47.097 76.133 1.00 47.71 O +ATOM 1674 OE2 GLU A 208 -7.808 48.079 74.181 1.00 49.67 O +ATOM 1675 N ILE A 209 -10.676 42.599 75.868 1.00 35.40 N +ATOM 1676 CA ILE A 209 -11.135 41.601 76.794 1.00 34.59 C +ATOM 1677 C ILE A 209 -11.149 40.271 76.039 1.00 35.18 C +ATOM 1678 O ILE A 209 -10.642 39.288 76.598 1.00 35.80 O +ATOM 1679 CB ILE A 209 -12.462 41.965 77.468 1.00 35.49 C +ATOM 1680 CG1 ILE A 209 -12.499 41.143 78.777 1.00 35.28 C +ATOM 1681 CG2 ILE A 209 -13.747 41.655 76.703 1.00 34.42 C +ATOM 1682 CD1 ILE A 209 -11.673 41.662 79.928 1.00 32.15 C +ATOM 1683 N ASP A 210 -11.608 40.227 74.782 1.00 32.63 N +ATOM 1684 CA ASP A 210 -11.607 38.942 74.100 1.00 32.23 C +ATOM 1685 C ASP A 210 -10.181 38.384 74.072 1.00 30.92 C +ATOM 1686 O ASP A 210 -9.973 37.213 74.444 1.00 29.41 O +ATOM 1687 CB ASP A 210 -12.277 38.994 72.752 1.00 31.71 C +ATOM 1688 CG ASP A 210 -12.666 37.658 72.189 1.00 34.70 C +ATOM 1689 OD1 ASP A 210 -12.986 36.707 72.977 1.00 39.49 O +ATOM 1690 OD2 ASP A 210 -12.731 37.546 70.940 1.00 32.49 O +ATOM 1691 N GLN A 211 -9.241 39.241 73.679 1.00 29.24 N +ATOM 1692 CA GLN A 211 -7.838 38.855 73.600 1.00 29.27 C +ATOM 1693 C GLN A 211 -7.373 38.238 74.926 1.00 29.42 C +ATOM 1694 O GLN A 211 -6.932 37.083 74.969 1.00 25.25 O +ATOM 1695 CB GLN A 211 -7.072 40.120 73.225 1.00 29.87 C +ATOM 1696 CG GLN A 211 -5.797 39.917 72.487 1.00 29.57 C +ATOM 1697 CD GLN A 211 -5.892 38.933 71.361 1.00 30.79 C +ATOM 1698 OE1 GLN A 211 -6.777 38.840 70.520 1.00 30.35 O +ATOM 1699 NE2 GLN A 211 -4.861 38.089 71.349 1.00 31.61 N +ATOM 1700 N LEU A 212 -7.493 38.995 76.031 1.00 29.70 N +ATOM 1701 CA LEU A 212 -7.118 38.501 77.337 1.00 31.39 C +ATOM 1702 C LEU A 212 -7.647 37.104 77.694 1.00 31.47 C +ATOM 1703 O LEU A 212 -6.871 36.192 77.985 1.00 27.71 O +ATOM 1704 CB LEU A 212 -7.615 39.442 78.462 1.00 29.97 C +ATOM 1705 CG LEU A 212 -6.587 40.575 78.545 1.00 31.17 C +ATOM 1706 CD1 LEU A 212 -7.064 41.693 79.447 1.00 28.30 C +ATOM 1707 CD2 LEU A 212 -5.212 39.966 78.937 1.00 30.71 C +ATOM 1708 N PHE A 213 -8.970 36.967 77.549 1.00 31.73 N +ATOM 1709 CA PHE A 213 -9.604 35.716 77.872 1.00 32.60 C +ATOM 1710 C PHE A 213 -9.188 34.589 76.960 1.00 32.32 C +ATOM 1711 O PHE A 213 -9.205 33.456 77.461 1.00 32.51 O +ATOM 1712 CB PHE A 213 -11.118 35.792 77.948 1.00 33.72 C +ATOM 1713 CG PHE A 213 -11.681 36.642 79.054 1.00 35.92 C +ATOM 1714 CD1 PHE A 213 -10.924 37.293 79.998 1.00 35.76 C +ATOM 1715 CD2 PHE A 213 -13.062 36.767 79.148 1.00 37.22 C +ATOM 1716 CE1 PHE A 213 -11.499 38.049 80.988 1.00 35.64 C +ATOM 1717 CE2 PHE A 213 -13.651 37.520 80.140 1.00 37.73 C +ATOM 1718 CZ PHE A 213 -12.857 38.167 81.068 1.00 36.16 C +ATOM 1719 N ARG A 214 -8.819 34.830 75.721 1.00 31.52 N +ATOM 1720 CA ARG A 214 -8.357 33.754 74.856 1.00 30.02 C +ATOM 1721 C ARG A 214 -6.972 33.340 75.329 1.00 31.91 C +ATOM 1722 O ARG A 214 -6.626 32.154 75.476 1.00 34.12 O +ATOM 1723 CB ARG A 214 -8.325 34.216 73.415 1.00 30.22 C +ATOM 1724 CG ARG A 214 -9.712 34.201 72.794 1.00 29.83 C +ATOM 1725 CD ARG A 214 -9.631 34.647 71.372 1.00 31.49 C +ATOM 1726 NE ARG A 214 -10.928 34.881 70.756 1.00 32.98 N +ATOM 1727 CZ ARG A 214 -11.461 34.039 69.867 1.00 34.24 C +ATOM 1728 NH1 ARG A 214 -10.862 32.912 69.486 1.00 34.03 N +ATOM 1729 NH2 ARG A 214 -12.640 34.385 69.375 1.00 33.96 N +ATOM 1730 N ILE A 215 -6.169 34.320 75.684 1.00 31.59 N +ATOM 1731 CA ILE A 215 -4.858 34.035 76.218 1.00 33.69 C +ATOM 1732 C ILE A 215 -5.063 33.221 77.484 1.00 35.01 C +ATOM 1733 O ILE A 215 -4.429 32.182 77.600 1.00 35.60 O +ATOM 1734 CB ILE A 215 -4.018 35.309 76.496 1.00 33.25 C +ATOM 1735 CG1 ILE A 215 -3.803 35.979 75.137 1.00 32.77 C +ATOM 1736 CG2 ILE A 215 -2.780 34.897 77.273 1.00 31.25 C +ATOM 1737 CD1 ILE A 215 -3.013 37.274 75.112 1.00 33.02 C +ATOM 1738 N PHE A 216 -5.867 33.699 78.429 1.00 35.94 N +ATOM 1739 CA PHE A 216 -6.075 32.975 79.668 1.00 35.98 C +ATOM 1740 C PHE A 216 -6.744 31.638 79.424 1.00 34.48 C +ATOM 1741 O PHE A 216 -6.502 30.730 80.203 1.00 35.61 O +ATOM 1742 CB PHE A 216 -6.927 33.655 80.735 1.00 37.02 C +ATOM 1743 CG PHE A 216 -6.671 35.052 81.168 1.00 37.65 C +ATOM 1744 CD1 PHE A 216 -5.495 35.704 80.866 1.00 36.98 C +ATOM 1745 CD2 PHE A 216 -7.622 35.727 81.933 1.00 38.65 C +ATOM 1746 CE1 PHE A 216 -5.297 37.001 81.258 1.00 38.13 C +ATOM 1747 CE2 PHE A 216 -7.434 37.020 82.359 1.00 38.67 C +ATOM 1748 CZ PHE A 216 -6.255 37.652 82.007 1.00 39.46 C +ATOM 1749 N ARG A 217 -7.580 31.416 78.446 1.00 35.19 N +ATOM 1750 CA ARG A 217 -8.153 30.069 78.315 1.00 35.29 C +ATOM 1751 C ARG A 217 -7.011 29.168 77.917 1.00 34.74 C +ATOM 1752 O ARG A 217 -7.107 27.993 78.266 1.00 37.14 O +ATOM 1753 CB ARG A 217 -9.376 29.928 77.414 1.00 34.55 C +ATOM 1754 CG ARG A 217 -10.652 30.128 78.212 1.00 36.12 C +ATOM 1755 CD ARG A 217 -11.904 30.167 77.389 1.00 38.95 C +ATOM 1756 NE ARG A 217 -12.278 31.245 76.593 1.00 40.84 N +ATOM 1757 CZ ARG A 217 -12.655 32.254 75.908 1.00 41.99 C +ATOM 1758 NH1 ARG A 217 -12.281 32.242 74.639 1.00 40.85 N +ATOM 1759 NH2 ARG A 217 -13.412 33.215 76.433 1.00 44.58 N +ATOM 1760 N THR A 218 -6.015 29.593 77.176 1.00 34.51 N +ATOM 1761 CA THR A 218 -4.940 28.729 76.753 1.00 35.34 C +ATOM 1762 C THR A 218 -3.846 28.501 77.796 1.00 36.50 C +ATOM 1763 O THR A 218 -3.444 27.332 77.920 1.00 38.05 O +ATOM 1764 CB THR A 218 -4.133 29.257 75.560 1.00 35.96 C +ATOM 1765 OG1 THR A 218 -4.966 29.505 74.439 1.00 39.89 O +ATOM 1766 CG2 THR A 218 -3.143 28.236 75.060 1.00 37.00 C +ATOM 1767 N LEU A 219 -3.321 29.570 78.400 1.00 33.12 N +ATOM 1768 CA LEU A 219 -2.233 29.468 79.306 1.00 30.62 C +ATOM 1769 C LEU A 219 -2.549 29.512 80.777 1.00 30.44 C +ATOM 1770 O LEU A 219 -1.620 29.428 81.584 1.00 28.71 O +ATOM 1771 CB LEU A 219 -1.351 30.717 79.056 1.00 31.59 C +ATOM 1772 CG LEU A 219 -0.788 30.844 77.643 1.00 31.57 C +ATOM 1773 CD1 LEU A 219 -0.180 32.242 77.574 1.00 30.44 C +ATOM 1774 CD2 LEU A 219 0.229 29.779 77.296 1.00 31.12 C +ATOM 1775 N GLY A 220 -3.785 29.798 81.133 1.00 30.76 N +ATOM 1776 CA GLY A 220 -4.274 29.851 82.490 1.00 29.73 C +ATOM 1777 C GLY A 220 -4.501 31.291 82.893 1.00 31.88 C +ATOM 1778 O GLY A 220 -3.752 32.039 82.291 1.00 32.87 O +ATOM 1779 N THR A 221 -5.386 31.662 83.811 1.00 31.95 N +ATOM 1780 CA THR A 221 -5.480 33.067 84.188 1.00 33.25 C +ATOM 1781 C THR A 221 -4.254 33.350 85.031 1.00 38.03 C +ATOM 1782 O THR A 221 -3.972 32.609 85.957 1.00 37.28 O +ATOM 1783 CB THR A 221 -6.766 33.320 85.002 1.00 29.91 C +ATOM 1784 OG1 THR A 221 -7.848 32.718 84.293 1.00 25.11 O +ATOM 1785 CG2 THR A 221 -6.949 34.798 85.276 1.00 26.12 C +ATOM 1786 N PRO A 222 -3.469 34.353 84.749 1.00 43.64 N +ATOM 1787 CA PRO A 222 -2.261 34.549 85.552 1.00 48.19 C +ATOM 1788 C PRO A 222 -2.606 34.926 86.979 1.00 52.61 C +ATOM 1789 O PRO A 222 -3.608 35.580 87.260 1.00 53.64 O +ATOM 1790 CB PRO A 222 -1.481 35.605 84.788 1.00 46.25 C +ATOM 1791 CG PRO A 222 -2.574 36.400 84.142 1.00 45.50 C +ATOM 1792 CD PRO A 222 -3.593 35.366 83.680 1.00 44.29 C +ATOM 1793 N ASP A 223 -1.779 34.485 87.917 1.00 56.18 N +ATOM 1794 CA ASP A 223 -1.912 34.853 89.311 1.00 58.70 C +ATOM 1795 C ASP A 223 -0.560 35.386 89.811 1.00 59.04 C +ATOM 1796 O ASP A 223 0.453 35.173 89.140 1.00 57.66 O +ATOM 1797 CB ASP A 223 -2.353 33.706 90.224 1.00 61.26 C +ATOM 1798 CG ASP A 223 -1.392 32.550 90.176 1.00 63.85 C +ATOM 1799 OD1 ASP A 223 -0.161 32.724 90.171 1.00 64.08 O +ATOM 1800 OD2 ASP A 223 -1.880 31.410 90.129 1.00 64.67 O +ATOM 1801 N GLU A 224 -0.548 35.848 91.056 1.00 58.74 N +ATOM 1802 CA GLU A 224 0.671 36.308 91.695 1.00 59.98 C +ATOM 1803 C GLU A 224 1.777 35.257 91.674 1.00 61.11 C +ATOM 1804 O GLU A 224 2.949 35.652 91.592 1.00 60.70 O +ATOM 1805 CB GLU A 224 0.473 36.774 93.136 1.00 59.54 C +ATOM 1806 CG GLU A 224 -0.312 38.079 93.214 1.00 59.67 C +ATOM 1807 CD GLU A 224 0.376 39.238 92.518 1.00 59.17 C +ATOM 1808 OE1 GLU A 224 1.621 39.226 92.415 1.00 60.11 O +ATOM 1809 OE2 GLU A 224 -0.294 40.166 92.040 1.00 58.76 O +ATOM 1810 N VAL A 225 1.439 33.974 91.705 1.00 61.74 N +ATOM 1811 CA VAL A 225 2.440 32.939 91.616 1.00 63.37 C +ATOM 1812 C VAL A 225 3.106 32.932 90.242 1.00 62.89 C +ATOM 1813 O VAL A 225 4.314 33.150 90.203 1.00 64.56 O +ATOM 1814 CB VAL A 225 1.895 31.532 91.926 1.00 63.53 C +ATOM 1815 CG1 VAL A 225 2.999 30.491 91.868 1.00 63.30 C +ATOM 1816 CG2 VAL A 225 1.244 31.488 93.293 1.00 64.40 C +ATOM 1817 N VAL A 226 2.384 32.701 89.164 1.00 60.86 N +ATOM 1818 CA VAL A 226 2.941 32.672 87.824 1.00 58.33 C +ATOM 1819 C VAL A 226 3.463 34.044 87.400 1.00 54.56 C +ATOM 1820 O VAL A 226 4.466 34.156 86.699 1.00 51.34 O +ATOM 1821 CB VAL A 226 1.886 32.048 86.889 1.00 60.17 C +ATOM 1822 CG1 VAL A 226 0.553 32.779 86.971 1.00 61.17 C +ATOM 1823 CG2 VAL A 226 2.319 32.075 85.430 1.00 61.65 C +ATOM 1824 N TRP A 227 2.870 35.129 87.884 1.00 51.12 N +ATOM 1825 CA TRP A 227 3.286 36.475 87.513 1.00 49.00 C +ATOM 1826 C TRP A 227 3.106 37.523 88.601 1.00 47.06 C +ATOM 1827 O TRP A 227 2.146 38.251 88.745 1.00 45.01 O +ATOM 1828 CB TRP A 227 2.590 36.884 86.241 1.00 47.14 C +ATOM 1829 CG TRP A 227 2.915 38.156 85.552 1.00 46.41 C +ATOM 1830 CD1 TRP A 227 3.938 39.030 85.750 1.00 45.87 C +ATOM 1831 CD2 TRP A 227 2.155 38.693 84.440 1.00 46.05 C +ATOM 1832 NE1 TRP A 227 3.874 40.058 84.860 1.00 45.55 N +ATOM 1833 CE2 TRP A 227 2.775 39.882 84.041 1.00 45.62 C +ATOM 1834 CE3 TRP A 227 1.013 38.269 83.752 1.00 45.45 C +ATOM 1835 CZ2 TRP A 227 2.268 40.652 83.000 1.00 45.27 C +ATOM 1836 CZ3 TRP A 227 0.508 39.034 82.729 1.00 45.35 C +ATOM 1837 CH2 TRP A 227 1.142 40.226 82.358 1.00 44.58 C +ATOM 1838 N PRO A 228 4.173 37.669 89.389 1.00 46.30 N +ATOM 1839 CA PRO A 228 4.198 38.629 90.492 1.00 45.51 C +ATOM 1840 C PRO A 228 3.837 40.006 89.985 1.00 45.48 C +ATOM 1841 O PRO A 228 4.394 40.486 88.998 1.00 43.64 O +ATOM 1842 CB PRO A 228 5.597 38.524 91.067 1.00 44.23 C +ATOM 1843 CG PRO A 228 6.118 37.225 90.601 1.00 43.94 C +ATOM 1844 CD PRO A 228 5.438 36.912 89.298 1.00 44.47 C +ATOM 1845 N GLY A 229 2.906 40.637 90.679 1.00 46.35 N +ATOM 1846 CA GLY A 229 2.480 41.966 90.265 1.00 48.28 C +ATOM 1847 C GLY A 229 1.230 41.876 89.398 1.00 50.64 C +ATOM 1848 O GLY A 229 0.506 42.874 89.422 1.00 50.15 O +ATOM 1849 N VAL A 230 0.857 40.798 88.702 1.00 52.29 N +ATOM 1850 CA VAL A 230 -0.291 40.875 87.835 1.00 54.67 C +ATOM 1851 C VAL A 230 -1.549 41.472 88.481 1.00 55.86 C +ATOM 1852 O VAL A 230 -2.098 42.352 87.848 1.00 53.80 O +ATOM 1853 CB VAL A 230 -0.947 39.658 87.157 1.00 54.07 C +ATOM 1854 CG1 VAL A 230 -1.151 39.938 85.677 1.00 53.06 C +ATOM 1855 CG2 VAL A 230 -0.301 38.350 87.442 1.00 53.72 C +ATOM 1856 N THR A 231 -2.041 40.941 89.585 1.00 58.58 N +ATOM 1857 CA THR A 231 -3.274 41.413 90.175 1.00 60.72 C +ATOM 1858 C THR A 231 -3.239 42.870 90.597 1.00 63.44 C +ATOM 1859 O THR A 231 -4.310 43.404 90.914 1.00 64.07 O +ATOM 1860 CB THR A 231 -3.765 40.517 91.325 1.00 59.85 C +ATOM 1861 OG1 THR A 231 -2.913 40.734 92.450 1.00 59.86 O +ATOM 1862 CG2 THR A 231 -3.704 39.031 91.062 1.00 59.15 C +ATOM 1863 N SER A 232 -2.146 43.606 90.594 1.00 65.85 N +ATOM 1864 CA SER A 232 -2.045 45.006 90.897 1.00 67.69 C +ATOM 1865 C SER A 232 -2.034 45.868 89.635 1.00 67.63 C +ATOM 1866 O SER A 232 -2.017 47.090 89.763 1.00 67.59 O +ATOM 1867 CB SER A 232 -0.722 45.356 91.608 1.00 68.18 C +ATOM 1868 OG SER A 232 -0.831 44.978 92.966 1.00 68.83 O +ATOM 1869 N MET A 233 -2.001 45.227 88.481 1.00 67.70 N +ATOM 1870 CA MET A 233 -1.928 45.928 87.210 1.00 67.65 C +ATOM 1871 C MET A 233 -3.157 46.757 86.931 1.00 67.03 C +ATOM 1872 O MET A 233 -4.239 46.468 87.393 1.00 66.04 O +ATOM 1873 CB MET A 233 -1.582 44.921 86.098 1.00 67.08 C +ATOM 1874 CG MET A 233 -0.147 44.460 86.253 1.00 66.66 C +ATOM 1875 SD MET A 233 0.395 43.044 85.305 1.00 65.31 S +ATOM 1876 CE MET A 233 0.334 43.756 83.667 1.00 66.31 C +ATOM 1877 N PRO A 234 -2.983 47.841 86.192 1.00 67.88 N +ATOM 1878 CA PRO A 234 -4.038 48.765 85.874 1.00 68.11 C +ATOM 1879 C PRO A 234 -5.290 48.132 85.342 1.00 67.82 C +ATOM 1880 O PRO A 234 -6.358 48.500 85.834 1.00 67.53 O +ATOM 1881 CB PRO A 234 -3.434 49.734 84.868 1.00 67.60 C +ATOM 1882 CG PRO A 234 -1.998 49.750 85.273 1.00 67.86 C +ATOM 1883 CD PRO A 234 -1.696 48.312 85.602 1.00 68.48 C +ATOM 1884 N ASP A 235 -5.223 47.253 84.359 1.00 67.72 N +ATOM 1885 CA ASP A 235 -6.477 46.756 83.811 1.00 67.70 C +ATOM 1886 C ASP A 235 -6.721 45.309 84.168 1.00 67.10 C +ATOM 1887 O ASP A 235 -7.489 44.662 83.469 1.00 66.26 O +ATOM 1888 CB ASP A 235 -6.591 47.038 82.325 1.00 68.41 C +ATOM 1889 CG ASP A 235 -6.795 48.512 82.042 1.00 69.05 C +ATOM 1890 OD1 ASP A 235 -7.790 49.148 82.448 1.00 69.86 O +ATOM 1891 OD2 ASP A 235 -5.901 49.050 81.374 1.00 68.54 O +ATOM 1892 N TYR A 236 -6.118 44.925 85.271 1.00 66.71 N +ATOM 1893 CA TYR A 236 -6.317 43.584 85.789 1.00 68.06 C +ATOM 1894 C TYR A 236 -7.649 43.592 86.529 1.00 67.58 C +ATOM 1895 O TYR A 236 -7.850 44.551 87.268 1.00 66.95 O +ATOM 1896 CB TYR A 236 -5.180 43.242 86.752 1.00 69.68 C +ATOM 1897 CG TYR A 236 -5.467 41.915 87.424 1.00 71.00 C +ATOM 1898 CD1 TYR A 236 -6.333 41.793 88.487 1.00 70.90 C +ATOM 1899 CD2 TYR A 236 -4.843 40.775 86.951 1.00 71.83 C +ATOM 1900 CE1 TYR A 236 -6.590 40.574 89.062 1.00 71.47 C +ATOM 1901 CE2 TYR A 236 -5.072 39.541 87.529 1.00 72.48 C +ATOM 1902 CZ TYR A 236 -5.960 39.457 88.575 1.00 72.14 C +ATOM 1903 OH TYR A 236 -6.202 38.242 89.165 1.00 72.46 O +ATOM 1904 N LYS A 237 -8.498 42.590 86.415 1.00 67.30 N +ATOM 1905 CA LYS A 237 -9.757 42.591 87.122 1.00 67.55 C +ATOM 1906 C LYS A 237 -9.907 41.358 88.002 1.00 65.02 C +ATOM 1907 O LYS A 237 -9.690 40.248 87.554 1.00 64.38 O +ATOM 1908 CB LYS A 237 -10.964 42.608 86.193 1.00 70.80 C +ATOM 1909 CG LYS A 237 -11.126 43.680 85.156 1.00 75.16 C +ATOM 1910 CD LYS A 237 -10.912 45.055 85.750 1.00 79.03 C +ATOM 1911 CE LYS A 237 -10.330 46.044 84.745 1.00 80.87 C +ATOM 1912 NZ LYS A 237 -9.811 47.244 85.488 1.00 83.46 N +ATOM 1913 N PRO A 238 -10.308 41.533 89.252 1.00 62.56 N +ATOM 1914 CA PRO A 238 -10.550 40.480 90.214 1.00 59.83 C +ATOM 1915 C PRO A 238 -11.585 39.472 89.738 1.00 55.83 C +ATOM 1916 O PRO A 238 -11.513 38.258 89.949 1.00 54.77 O +ATOM 1917 CB PRO A 238 -11.158 41.182 91.431 1.00 61.24 C +ATOM 1918 CG PRO A 238 -10.740 42.601 91.306 1.00 62.26 C +ATOM 1919 CD PRO A 238 -10.533 42.883 89.851 1.00 62.65 C +ATOM 1920 N SER A 239 -12.579 40.023 89.033 1.00 50.17 N +ATOM 1921 CA SER A 239 -13.592 39.198 88.434 1.00 45.60 C +ATOM 1922 C SER A 239 -13.052 38.401 87.267 1.00 42.90 C +ATOM 1923 O SER A 239 -13.845 37.556 86.884 1.00 41.50 O +ATOM 1924 CB SER A 239 -14.808 40.041 88.077 1.00 45.97 C +ATOM 1925 OG SER A 239 -14.446 41.154 87.303 1.00 46.91 O +ATOM 1926 N PHE A 240 -11.888 38.457 86.675 1.00 41.13 N +ATOM 1927 CA PHE A 240 -11.553 37.535 85.608 1.00 41.92 C +ATOM 1928 C PHE A 240 -11.924 36.096 85.906 1.00 41.55 C +ATOM 1929 O PHE A 240 -11.639 35.548 86.969 1.00 40.32 O +ATOM 1930 CB PHE A 240 -10.035 37.512 85.348 1.00 41.59 C +ATOM 1931 CG PHE A 240 -9.536 38.780 84.722 1.00 42.90 C +ATOM 1932 CD1 PHE A 240 -10.353 39.527 83.878 1.00 42.81 C +ATOM 1933 CD2 PHE A 240 -8.242 39.221 84.968 1.00 43.02 C +ATOM 1934 CE1 PHE A 240 -9.897 40.695 83.310 1.00 42.98 C +ATOM 1935 CE2 PHE A 240 -7.776 40.386 84.388 1.00 42.53 C +ATOM 1936 CZ PHE A 240 -8.604 41.121 83.557 1.00 42.86 C +ATOM 1937 N PRO A 241 -12.482 35.401 84.923 1.00 41.27 N +ATOM 1938 CA PRO A 241 -12.702 33.956 85.063 1.00 41.74 C +ATOM 1939 C PRO A 241 -11.368 33.352 85.427 1.00 40.89 C +ATOM 1940 O PRO A 241 -10.375 33.911 84.986 1.00 41.16 O +ATOM 1941 CB PRO A 241 -13.227 33.517 83.717 1.00 41.30 C +ATOM 1942 CG PRO A 241 -13.853 34.790 83.208 1.00 41.70 C +ATOM 1943 CD PRO A 241 -12.867 35.861 83.588 1.00 40.73 C +ATOM 1944 N LYS A 242 -11.266 32.379 86.301 1.00 42.73 N +ATOM 1945 CA LYS A 242 -9.952 31.810 86.661 1.00 42.30 C +ATOM 1946 C LYS A 242 -9.792 30.583 85.797 1.00 42.09 C +ATOM 1947 O LYS A 242 -10.538 29.632 85.991 1.00 42.15 O +ATOM 1948 CB LYS A 242 -9.937 31.622 88.163 1.00 43.08 C +ATOM 1949 CG LYS A 242 -9.819 32.950 88.885 1.00 47.24 C +ATOM 1950 CD LYS A 242 -9.191 32.914 90.256 1.00 50.18 C +ATOM 1951 CE LYS A 242 -9.837 33.855 91.268 1.00 51.83 C +ATOM 1952 NZ LYS A 242 -10.972 33.223 92.012 1.00 52.36 N +ATOM 1953 N TRP A 243 -9.044 30.560 84.716 1.00 42.79 N +ATOM 1954 CA TRP A 243 -9.046 29.343 83.869 1.00 43.57 C +ATOM 1955 C TRP A 243 -7.811 28.484 84.127 1.00 46.43 C +ATOM 1956 O TRP A 243 -6.735 28.976 84.527 1.00 45.98 O +ATOM 1957 CB TRP A 243 -9.186 29.671 82.404 1.00 39.83 C +ATOM 1958 CG TRP A 243 -10.502 30.015 81.810 1.00 39.03 C +ATOM 1959 CD1 TRP A 243 -11.524 29.179 81.472 1.00 37.06 C +ATOM 1960 CD2 TRP A 243 -10.924 31.336 81.398 1.00 38.89 C +ATOM 1961 NE1 TRP A 243 -12.549 29.880 80.912 1.00 37.08 N +ATOM 1962 CE2 TRP A 243 -12.227 31.207 80.847 1.00 38.81 C +ATOM 1963 CE3 TRP A 243 -10.328 32.597 81.432 1.00 37.09 C +ATOM 1964 CZ2 TRP A 243 -12.930 32.298 80.325 1.00 38.81 C +ATOM 1965 CZ3 TRP A 243 -11.018 33.666 80.910 1.00 38.68 C +ATOM 1966 CH2 TRP A 243 -12.321 33.512 80.371 1.00 39.28 C +ATOM 1967 N ALA A 244 -7.941 27.184 83.952 1.00 49.83 N +ATOM 1968 CA ALA A 244 -6.783 26.314 84.118 1.00 55.48 C +ATOM 1969 C ALA A 244 -5.925 26.359 82.848 1.00 60.94 C +ATOM 1970 O ALA A 244 -6.404 26.552 81.730 1.00 61.55 O +ATOM 1971 CB ALA A 244 -7.135 24.884 84.428 1.00 53.49 C +ATOM 1972 N ARG A 245 -4.641 26.120 83.045 1.00 67.50 N +ATOM 1973 CA ARG A 245 -3.703 26.094 81.939 1.00 74.29 C +ATOM 1974 C ARG A 245 -3.837 24.793 81.165 1.00 79.50 C +ATOM 1975 O ARG A 245 -3.811 23.761 81.813 1.00 77.81 O +ATOM 1976 CB ARG A 245 -2.322 26.204 82.556 1.00 73.82 C +ATOM 1977 CG ARG A 245 -1.196 26.257 81.558 1.00 74.62 C +ATOM 1978 CD ARG A 245 0.108 26.420 82.318 1.00 74.92 C +ATOM 1979 NE ARG A 245 1.243 26.416 81.411 1.00 76.39 N +ATOM 1980 CZ ARG A 245 1.731 27.446 80.743 1.00 76.96 C +ATOM 1981 NH1 ARG A 245 1.181 28.640 80.876 1.00 76.58 N +ATOM 1982 NH2 ARG A 245 2.778 27.329 79.942 1.00 76.25 N +ATOM 1983 N GLN A 246 -4.010 24.890 79.848 1.00 87.83 N +ATOM 1984 CA GLN A 246 -4.126 23.652 79.058 1.00 94.87 C +ATOM 1985 C GLN A 246 -2.672 23.210 78.881 1.00 97.18 C +ATOM 1986 O GLN A 246 -1.734 23.998 78.965 1.00 96.62 O +ATOM 1987 CB GLN A 246 -5.015 23.744 77.851 1.00 97.48 C +ATOM 1988 CG GLN A 246 -4.758 24.300 76.504 1.00101.18 C +ATOM 1989 CD GLN A 246 -5.841 24.439 75.463 1.00103.30 C +ATOM 1990 OE1 GLN A 246 -6.198 25.581 75.123 1.00104.36 O +ATOM 1991 NE2 GLN A 246 -6.352 23.337 74.911 1.00103.98 N +ATOM 1992 N ASP A 247 -2.495 21.906 78.792 1.00 99.81 N +ATOM 1993 CA ASP A 247 -1.163 21.318 78.610 1.00102.04 C +ATOM 1994 C ASP A 247 -0.740 21.558 77.180 1.00101.17 C +ATOM 1995 O ASP A 247 -1.389 21.148 76.231 1.00101.56 O +ATOM 1996 CB ASP A 247 -1.284 19.890 79.093 1.00104.25 C +ATOM 1997 CG ASP A 247 -0.749 18.781 78.245 1.00106.09 C +ATOM 1998 OD1 ASP A 247 -1.410 17.719 78.166 1.00107.02 O +ATOM 1999 OD2 ASP A 247 0.334 18.937 77.648 1.00106.69 O +ATOM 2000 N PHE A 248 0.328 22.258 76.923 1.00 99.43 N +ATOM 2001 CA PHE A 248 0.950 22.678 75.714 1.00 97.85 C +ATOM 2002 C PHE A 248 0.995 21.856 74.456 1.00 95.11 C +ATOM 2003 O PHE A 248 1.106 22.348 73.324 1.00 94.96 O +ATOM 2004 CB PHE A 248 2.447 22.987 76.083 1.00100.19 C +ATOM 2005 CG PHE A 248 2.591 24.477 75.921 1.00101.59 C +ATOM 2006 CD1 PHE A 248 1.842 25.313 76.723 1.00101.01 C +ATOM 2007 CD2 PHE A 248 3.403 25.012 74.948 1.00101.79 C +ATOM 2008 CE1 PHE A 248 1.911 26.678 76.570 1.00101.51 C +ATOM 2009 CE2 PHE A 248 3.479 26.383 74.796 1.00101.23 C +ATOM 2010 CZ PHE A 248 2.734 27.211 75.608 1.00102.16 C +ATOM 2011 N SER A 249 0.924 20.549 74.626 1.00 90.05 N +ATOM 2012 CA SER A 249 0.851 19.590 73.546 1.00 84.71 C +ATOM 2013 C SER A 249 -0.518 19.729 72.884 1.00 81.26 C +ATOM 2014 O SER A 249 -0.667 19.399 71.715 1.00 79.39 O +ATOM 2015 CB SER A 249 1.079 18.188 74.081 1.00 84.65 C +ATOM 2016 OG SER A 249 0.253 17.918 75.185 1.00 82.63 O +ATOM 2017 N LYS A 250 -1.504 20.243 73.615 1.00 77.57 N +ATOM 2018 CA LYS A 250 -2.825 20.427 73.026 1.00 74.57 C +ATOM 2019 C LYS A 250 -2.981 21.807 72.426 1.00 70.51 C +ATOM 2020 O LYS A 250 -3.781 22.063 71.530 1.00 69.29 O +ATOM 2021 CB LYS A 250 -3.851 19.906 74.020 1.00 75.84 C +ATOM 2022 CG LYS A 250 -4.253 18.481 73.616 1.00 78.21 C +ATOM 2023 CD LYS A 250 -4.036 17.461 74.711 1.00 79.17 C +ATOM 2024 CE LYS A 250 -4.519 17.948 76.055 1.00 79.87 C +ATOM 2025 NZ LYS A 250 -5.279 17.036 76.942 1.00 80.95 N +ATOM 2026 N VAL A 251 -2.108 22.721 72.785 1.00 65.76 N +ATOM 2027 CA VAL A 251 -2.029 24.067 72.252 1.00 61.52 C +ATOM 2028 C VAL A 251 -1.475 24.006 70.834 1.00 58.91 C +ATOM 2029 O VAL A 251 -1.918 24.683 69.900 1.00 56.55 O +ATOM 2030 CB VAL A 251 -1.127 24.940 73.138 1.00 60.35 C +ATOM 2031 CG1 VAL A 251 -0.753 26.238 72.473 1.00 58.87 C +ATOM 2032 CG2 VAL A 251 -1.835 25.144 74.470 1.00 59.70 C +ATOM 2033 N VAL A 252 -0.416 23.208 70.662 1.00 55.44 N +ATOM 2034 CA VAL A 252 0.159 23.034 69.328 1.00 53.32 C +ATOM 2035 C VAL A 252 0.538 21.568 69.169 1.00 50.84 C +ATOM 2036 O VAL A 252 1.653 21.103 69.167 1.00 47.31 O +ATOM 2037 CB VAL A 252 1.258 24.052 69.014 1.00 53.87 C +ATOM 2038 CG1 VAL A 252 1.732 23.768 67.587 1.00 54.93 C +ATOM 2039 CG2 VAL A 252 0.889 25.536 69.002 1.00 52.64 C +ATOM 2040 N PRO A 253 -0.465 20.697 68.938 1.00 50.90 N +ATOM 2041 CA PRO A 253 -0.399 19.264 68.767 1.00 49.10 C +ATOM 2042 C PRO A 253 0.744 18.684 67.973 1.00 46.93 C +ATOM 2043 O PRO A 253 1.392 17.748 68.444 1.00 46.73 O +ATOM 2044 CB PRO A 253 -1.698 18.866 68.096 1.00 48.85 C +ATOM 2045 CG PRO A 253 -2.663 19.928 68.390 1.00 49.06 C +ATOM 2046 CD PRO A 253 -1.905 21.104 68.883 1.00 50.54 C +ATOM 2047 N PRO A 254 1.014 19.200 66.788 1.00 44.81 N +ATOM 2048 CA PRO A 254 2.148 18.744 65.998 1.00 44.37 C +ATOM 2049 C PRO A 254 3.529 19.034 66.550 1.00 43.60 C +ATOM 2050 O PRO A 254 4.529 18.432 66.085 1.00 44.37 O +ATOM 2051 CB PRO A 254 1.955 19.424 64.634 1.00 42.15 C +ATOM 2052 CG PRO A 254 0.596 19.988 64.655 1.00 42.67 C +ATOM 2053 CD PRO A 254 0.230 20.248 66.086 1.00 42.96 C +ATOM 2054 N LEU A 255 3.778 19.866 67.533 1.00 42.80 N +ATOM 2055 CA LEU A 255 5.127 20.195 67.969 1.00 44.04 C +ATOM 2056 C LEU A 255 5.844 19.167 68.822 1.00 45.87 C +ATOM 2057 O LEU A 255 5.175 18.581 69.657 1.00 46.16 O +ATOM 2058 CB LEU A 255 5.038 21.507 68.757 1.00 41.32 C +ATOM 2059 CG LEU A 255 5.954 22.640 68.358 1.00 40.54 C +ATOM 2060 CD1 LEU A 255 6.302 22.685 66.877 1.00 39.24 C +ATOM 2061 CD2 LEU A 255 5.291 23.944 68.770 1.00 39.89 C +ATOM 2062 N ASP A 256 7.122 18.953 68.710 1.00 48.07 N +ATOM 2063 CA ASP A 256 7.928 18.093 69.551 1.00 51.48 C +ATOM 2064 C ASP A 256 8.071 18.767 70.923 1.00 52.68 C +ATOM 2065 O ASP A 256 7.466 19.803 71.241 1.00 51.83 O +ATOM 2066 CB ASP A 256 9.328 17.895 68.948 1.00 53.67 C +ATOM 2067 CG ASP A 256 9.973 19.199 68.454 1.00 54.58 C +ATOM 2068 OD1 ASP A 256 10.046 19.382 67.216 1.00 55.14 O +ATOM 2069 OD2 ASP A 256 10.379 20.083 69.247 1.00 52.96 O +ATOM 2070 N GLU A 257 8.909 18.152 71.735 1.00 53.85 N +ATOM 2071 CA GLU A 257 9.184 18.596 73.101 1.00 55.18 C +ATOM 2072 C GLU A 257 10.051 19.832 73.108 1.00 51.32 C +ATOM 2073 O GLU A 257 9.752 20.767 73.835 1.00 49.07 O +ATOM 2074 CB GLU A 257 9.708 17.407 73.847 1.00 59.89 C +ATOM 2075 CG GLU A 257 10.805 17.448 74.875 1.00 65.82 C +ATOM 2076 CD GLU A 257 10.599 16.291 75.848 1.00 69.29 C +ATOM 2077 OE1 GLU A 257 10.154 16.563 76.983 1.00 70.50 O +ATOM 2078 OE2 GLU A 257 10.802 15.105 75.520 1.00 70.78 O +ATOM 2079 N ASP A 258 11.021 19.929 72.223 1.00 49.56 N +ATOM 2080 CA ASP A 258 11.869 21.118 72.125 1.00 47.49 C +ATOM 2081 C ASP A 258 11.038 22.330 71.671 1.00 45.04 C +ATOM 2082 O ASP A 258 11.090 23.374 72.316 1.00 42.59 O +ATOM 2083 CB ASP A 258 13.078 20.903 71.236 1.00 46.47 C +ATOM 2084 CG ASP A 258 14.045 19.900 71.812 1.00 47.41 C +ATOM 2085 OD1 ASP A 258 14.146 19.686 73.041 1.00 47.27 O +ATOM 2086 OD2 ASP A 258 14.773 19.310 70.972 1.00 45.95 O +ATOM 2087 N GLY A 259 10.262 22.118 70.620 1.00 42.89 N +ATOM 2088 CA GLY A 259 9.355 23.116 70.097 1.00 40.77 C +ATOM 2089 C GLY A 259 8.372 23.511 71.184 1.00 39.48 C +ATOM 2090 O GLY A 259 8.208 24.715 71.354 1.00 38.23 O +ATOM 2091 N ARG A 260 7.766 22.564 71.901 1.00 39.23 N +ATOM 2092 CA ARG A 260 6.834 22.987 72.945 1.00 39.01 C +ATOM 2093 C ARG A 260 7.592 23.754 74.006 1.00 36.40 C +ATOM 2094 O ARG A 260 7.072 24.760 74.460 1.00 36.27 O +ATOM 2095 CB ARG A 260 6.084 21.841 73.611 1.00 41.79 C +ATOM 2096 CG ARG A 260 4.998 21.245 72.727 1.00 43.33 C +ATOM 2097 CD ARG A 260 4.170 20.178 73.413 1.00 42.17 C +ATOM 2098 NE ARG A 260 4.930 19.201 74.154 1.00 41.77 N +ATOM 2099 CZ ARG A 260 5.402 18.046 73.721 1.00 41.61 C +ATOM 2100 NH1 ARG A 260 5.208 17.639 72.479 1.00 39.70 N +ATOM 2101 NH2 ARG A 260 6.099 17.271 74.555 1.00 41.97 N +ATOM 2102 N SER A 261 8.788 23.338 74.371 1.00 33.79 N +ATOM 2103 CA SER A 261 9.527 24.068 75.399 1.00 32.33 C +ATOM 2104 C SER A 261 9.814 25.501 74.939 1.00 31.86 C +ATOM 2105 O SER A 261 9.628 26.429 75.729 1.00 32.10 O +ATOM 2106 CB SER A 261 10.789 23.307 75.789 1.00 32.33 C +ATOM 2107 OG SER A 261 11.622 24.086 76.632 1.00 32.90 O +ATOM 2108 N LEU A 262 10.278 25.631 73.707 1.00 28.72 N +ATOM 2109 CA LEU A 262 10.596 26.922 73.135 1.00 30.50 C +ATOM 2110 C LEU A 262 9.351 27.806 73.032 1.00 32.28 C +ATOM 2111 O LEU A 262 9.410 28.917 73.567 1.00 31.82 O +ATOM 2112 CB LEU A 262 11.420 26.803 71.815 1.00 26.24 C +ATOM 2113 CG LEU A 262 11.490 28.039 70.922 1.00 21.30 C +ATOM 2114 CD1 LEU A 262 12.090 29.180 71.746 1.00 19.46 C +ATOM 2115 CD2 LEU A 262 12.257 27.984 69.619 1.00 18.44 C +ATOM 2116 N LEU A 263 8.211 27.406 72.493 1.00 33.58 N +ATOM 2117 CA LEU A 263 7.015 28.215 72.396 1.00 35.57 C +ATOM 2118 C LEU A 263 6.507 28.709 73.749 1.00 36.81 C +ATOM 2119 O LEU A 263 5.887 29.755 73.933 1.00 34.60 O +ATOM 2120 CB LEU A 263 5.852 27.423 71.804 1.00 37.44 C +ATOM 2121 CG LEU A 263 4.465 28.089 71.869 1.00 37.27 C +ATOM 2122 CD1 LEU A 263 4.478 29.416 71.164 1.00 34.48 C +ATOM 2123 CD2 LEU A 263 3.465 27.115 71.250 1.00 38.56 C +ATOM 2124 N SER A 264 6.735 27.792 74.698 1.00 36.93 N +ATOM 2125 CA SER A 264 6.352 28.013 76.082 1.00 36.31 C +ATOM 2126 C SER A 264 7.228 29.031 76.770 1.00 33.68 C +ATOM 2127 O SER A 264 6.812 29.782 77.628 1.00 29.94 O +ATOM 2128 CB SER A 264 6.297 26.622 76.723 1.00 36.60 C +ATOM 2129 OG SER A 264 7.040 26.710 77.916 1.00 39.34 O +ATOM 2130 N GLN A 265 8.484 29.216 76.429 1.00 36.91 N +ATOM 2131 CA GLN A 265 9.356 30.265 76.945 1.00 37.79 C +ATOM 2132 C GLN A 265 9.055 31.591 76.268 1.00 36.86 C +ATOM 2133 O GLN A 265 9.168 32.640 76.866 1.00 35.20 O +ATOM 2134 CB GLN A 265 10.818 29.893 76.696 1.00 39.68 C +ATOM 2135 CG GLN A 265 11.107 28.657 77.553 1.00 42.76 C +ATOM 2136 CD GLN A 265 12.554 28.220 77.520 1.00 43.27 C +ATOM 2137 OE1 GLN A 265 12.817 27.062 77.201 1.00 43.94 O +ATOM 2138 NE2 GLN A 265 13.481 29.128 77.801 1.00 43.96 N +ATOM 2139 N MET A 266 8.605 31.577 75.025 1.00 37.82 N +ATOM 2140 CA MET A 266 8.215 32.740 74.259 1.00 38.82 C +ATOM 2141 C MET A 266 6.926 33.320 74.799 1.00 40.85 C +ATOM 2142 O MET A 266 6.696 34.521 74.693 1.00 42.61 O +ATOM 2143 CB MET A 266 8.061 32.395 72.762 1.00 37.12 C +ATOM 2144 CG MET A 266 9.427 31.933 72.235 1.00 36.06 C +ATOM 2145 SD MET A 266 9.587 32.202 70.467 1.00 33.62 S +ATOM 2146 CE MET A 266 9.452 30.546 69.951 1.00 33.85 C +ATOM 2147 N LEU A 267 6.071 32.486 75.385 1.00 42.27 N +ATOM 2148 CA LEU A 267 4.791 32.940 75.875 1.00 43.79 C +ATOM 2149 C LEU A 267 4.690 33.054 77.384 1.00 46.85 C +ATOM 2150 O LEU A 267 3.561 33.187 77.877 1.00 47.36 O +ATOM 2151 CB LEU A 267 3.657 32.089 75.306 1.00 41.52 C +ATOM 2152 CG LEU A 267 3.503 32.129 73.788 1.00 39.74 C +ATOM 2153 CD1 LEU A 267 2.386 31.184 73.380 1.00 40.14 C +ATOM 2154 CD2 LEU A 267 3.260 33.533 73.270 1.00 38.66 C +ATOM 2155 N HIS A 268 5.787 33.098 78.099 1.00 48.13 N +ATOM 2156 CA HIS A 268 5.750 33.343 79.518 1.00 50.22 C +ATOM 2157 C HIS A 268 5.074 34.683 79.766 1.00 47.20 C +ATOM 2158 O HIS A 268 5.411 35.711 79.181 1.00 47.55 O +ATOM 2159 CB HIS A 268 7.196 33.414 80.040 1.00 56.96 C +ATOM 2160 CG HIS A 268 7.289 32.938 81.453 1.00 62.11 C +ATOM 2161 ND1 HIS A 268 7.642 31.627 81.713 1.00 64.28 N +ATOM 2162 CD2 HIS A 268 7.063 33.513 82.647 1.00 63.08 C +ATOM 2163 CE1 HIS A 268 7.650 31.442 83.029 1.00 64.75 C +ATOM 2164 NE2 HIS A 268 7.296 32.562 83.608 1.00 64.07 N +ATOM 2165 N TYR A 269 4.120 34.692 80.652 1.00 43.75 N +ATOM 2166 CA TYR A 269 3.339 35.833 81.042 1.00 42.71 C +ATOM 2167 C TYR A 269 4.209 36.973 81.572 1.00 42.30 C +ATOM 2168 O TYR A 269 4.053 38.130 81.226 1.00 39.53 O +ATOM 2169 CB TYR A 269 2.432 35.435 82.255 1.00 42.82 C +ATOM 2170 CG TYR A 269 1.074 34.936 81.805 1.00 41.17 C +ATOM 2171 CD1 TYR A 269 0.197 35.778 81.134 1.00 39.89 C +ATOM 2172 CD2 TYR A 269 0.670 33.646 82.095 1.00 39.36 C +ATOM 2173 CE1 TYR A 269 -1.036 35.324 80.713 1.00 38.57 C +ATOM 2174 CE2 TYR A 269 -0.566 33.194 81.687 1.00 38.10 C +ATOM 2175 CZ TYR A 269 -1.412 34.030 80.989 1.00 37.70 C +ATOM 2176 OH TYR A 269 -2.620 33.557 80.566 1.00 35.61 O +ATOM 2177 N ASP A 270 5.039 36.564 82.537 1.00 42.43 N +ATOM 2178 CA ASP A 270 5.949 37.485 83.166 1.00 44.51 C +ATOM 2179 C ASP A 270 6.997 37.919 82.158 1.00 45.78 C +ATOM 2180 O ASP A 270 7.863 37.143 81.800 1.00 44.09 O +ATOM 2181 CB ASP A 270 6.626 36.837 84.361 1.00 44.34 C +ATOM 2182 CG ASP A 270 7.490 37.842 85.092 1.00 44.88 C +ATOM 2183 OD1 ASP A 270 7.723 38.983 84.651 1.00 41.80 O +ATOM 2184 OD2 ASP A 270 7.995 37.464 86.180 1.00 47.60 O +ATOM 2185 N PRO A 271 6.945 39.174 81.745 1.00 47.60 N +ATOM 2186 CA PRO A 271 7.923 39.705 80.815 1.00 49.93 C +ATOM 2187 C PRO A 271 9.362 39.517 81.256 1.00 51.83 C +ATOM 2188 O PRO A 271 10.156 39.334 80.340 1.00 51.05 O +ATOM 2189 CB PRO A 271 7.556 41.168 80.643 1.00 48.74 C +ATOM 2190 CG PRO A 271 6.179 41.253 81.153 1.00 48.34 C +ATOM 2191 CD PRO A 271 5.964 40.184 82.181 1.00 47.53 C +ATOM 2192 N ASN A 272 9.777 39.485 82.525 1.00 54.19 N +ATOM 2193 CA ASN A 272 11.165 39.237 82.834 1.00 55.63 C +ATOM 2194 C ASN A 272 11.531 37.782 82.584 1.00 54.63 C +ATOM 2195 O ASN A 272 12.703 37.553 82.292 1.00 54.13 O +ATOM 2196 CB ASN A 272 11.594 39.571 84.257 1.00 59.59 C +ATOM 2197 CG ASN A 272 11.198 40.972 84.639 1.00 62.61 C +ATOM 2198 OD1 ASN A 272 12.005 41.889 84.558 1.00 63.69 O +ATOM 2199 ND2 ASN A 272 9.925 41.089 85.019 1.00 64.40 N +ATOM 2200 N LYS A 273 10.642 36.818 82.727 1.00 53.15 N +ATOM 2201 CA LYS A 273 10.980 35.440 82.438 1.00 51.18 C +ATOM 2202 C LYS A 273 10.776 35.127 80.958 1.00 47.39 C +ATOM 2203 O LYS A 273 11.233 34.015 80.707 1.00 48.63 O +ATOM 2204 CB LYS A 273 10.213 34.321 83.143 1.00 54.83 C +ATOM 2205 CG LYS A 273 9.656 34.651 84.512 1.00 58.16 C +ATOM 2206 CD LYS A 273 10.725 35.218 85.427 1.00 60.45 C +ATOM 2207 CE LYS A 273 11.246 34.253 86.478 1.00 62.75 C +ATOM 2208 NZ LYS A 273 12.423 34.863 87.175 1.00 62.89 N +ATOM 2209 N ARG A 274 10.148 35.917 80.126 1.00 41.37 N +ATOM 2210 CA ARG A 274 9.982 35.533 78.737 1.00 39.18 C +ATOM 2211 C ARG A 274 11.394 35.342 78.176 1.00 37.46 C +ATOM 2212 O ARG A 274 12.236 36.149 78.563 1.00 39.47 O +ATOM 2213 CB ARG A 274 9.248 36.566 77.863 1.00 38.17 C +ATOM 2214 CG ARG A 274 8.286 35.976 76.861 1.00 36.27 C +ATOM 2215 CD ARG A 274 7.297 36.993 76.284 1.00 36.39 C +ATOM 2216 NE ARG A 274 6.391 37.432 77.325 1.00 35.85 N +ATOM 2217 CZ ARG A 274 5.682 38.519 77.483 1.00 33.17 C +ATOM 2218 NH1 ARG A 274 5.733 39.425 76.538 1.00 33.72 N +ATOM 2219 NH2 ARG A 274 4.950 38.664 78.554 1.00 30.56 N +ATOM 2220 N ILE A 275 11.658 34.343 77.375 1.00 33.39 N +ATOM 2221 CA ILE A 275 12.994 34.148 76.875 1.00 31.87 C +ATOM 2222 C ILE A 275 13.335 35.318 75.958 1.00 33.35 C +ATOM 2223 O ILE A 275 12.541 35.792 75.157 1.00 36.28 O +ATOM 2224 CB ILE A 275 13.121 32.786 76.152 1.00 31.16 C +ATOM 2225 CG1 ILE A 275 14.605 32.353 76.008 1.00 26.19 C +ATOM 2226 CG2 ILE A 275 12.354 32.789 74.820 1.00 28.03 C +ATOM 2227 CD1 ILE A 275 14.694 31.036 75.283 1.00 25.56 C +ATOM 2228 N SER A 276 14.550 35.831 75.976 1.00 31.70 N +ATOM 2229 CA SER A 276 14.942 36.861 75.039 1.00 29.66 C +ATOM 2230 C SER A 276 15.285 36.165 73.718 1.00 30.44 C +ATOM 2231 O SER A 276 15.540 34.961 73.595 1.00 26.06 O +ATOM 2232 CB SER A 276 16.131 37.570 75.680 1.00 29.34 C +ATOM 2233 OG SER A 276 17.291 37.089 75.096 1.00 28.75 O +ATOM 2234 N ALA A 277 15.232 36.968 72.656 1.00 30.40 N +ATOM 2235 CA ALA A 277 15.563 36.532 71.308 1.00 31.62 C +ATOM 2236 C ALA A 277 16.945 35.893 71.186 1.00 33.72 C +ATOM 2237 O ALA A 277 17.096 34.857 70.544 1.00 34.39 O +ATOM 2238 CB ALA A 277 15.511 37.707 70.359 1.00 29.29 C +ATOM 2239 N LYS A 278 18.009 36.476 71.694 1.00 34.98 N +ATOM 2240 CA LYS A 278 19.348 35.967 71.805 1.00 36.29 C +ATOM 2241 C LYS A 278 19.442 34.565 72.401 1.00 36.50 C +ATOM 2242 O LYS A 278 19.995 33.602 71.856 1.00 38.45 O +ATOM 2243 CB LYS A 278 19.988 36.913 72.838 1.00 37.59 C +ATOM 2244 CG LYS A 278 21.411 37.260 72.517 1.00 40.43 C +ATOM 2245 CD LYS A 278 22.240 37.607 73.716 1.00 41.84 C +ATOM 2246 CE LYS A 278 22.084 38.977 74.306 1.00 43.53 C +ATOM 2247 NZ LYS A 278 23.317 39.809 74.196 1.00 45.12 N +ATOM 2248 N ALA A 279 18.844 34.386 73.581 1.00 34.66 N +ATOM 2249 CA ALA A 279 18.843 33.111 74.285 1.00 32.81 C +ATOM 2250 C ALA A 279 18.095 32.060 73.506 1.00 33.08 C +ATOM 2251 O ALA A 279 18.653 30.977 73.317 1.00 36.21 O +ATOM 2252 CB ALA A 279 18.254 33.254 75.680 1.00 29.50 C +ATOM 2253 N ALA A 280 16.951 32.407 72.927 1.00 32.09 N +ATOM 2254 CA ALA A 280 16.168 31.519 72.119 1.00 30.75 C +ATOM 2255 C ALA A 280 17.004 31.007 70.964 1.00 30.87 C +ATOM 2256 O ALA A 280 16.697 29.887 70.547 1.00 28.77 O +ATOM 2257 CB ALA A 280 14.881 32.185 71.668 1.00 32.06 C +ATOM 2258 N LEU A 281 18.057 31.702 70.499 1.00 30.10 N +ATOM 2259 CA LEU A 281 18.813 31.146 69.424 1.00 30.78 C +ATOM 2260 C LEU A 281 19.554 29.875 69.798 1.00 31.06 C +ATOM 2261 O LEU A 281 19.821 29.139 68.867 1.00 30.51 O +ATOM 2262 CB LEU A 281 19.792 32.151 68.846 1.00 31.88 C +ATOM 2263 CG LEU A 281 19.110 33.271 68.046 1.00 31.49 C +ATOM 2264 CD1 LEU A 281 20.143 34.348 67.815 1.00 30.24 C +ATOM 2265 CD2 LEU A 281 18.466 32.738 66.792 1.00 30.97 C +ATOM 2266 N ALA A 282 19.854 29.597 71.036 1.00 33.48 N +ATOM 2267 CA ALA A 282 20.603 28.436 71.437 1.00 35.62 C +ATOM 2268 C ALA A 282 19.639 27.402 71.997 1.00 36.89 C +ATOM 2269 O ALA A 282 20.127 26.518 72.667 1.00 37.59 O +ATOM 2270 CB ALA A 282 21.621 28.732 72.515 1.00 35.74 C +ATOM 2271 N HIS A 283 18.361 27.498 71.701 1.00 38.20 N +ATOM 2272 CA HIS A 283 17.458 26.481 72.240 1.00 38.79 C +ATOM 2273 C HIS A 283 17.650 25.197 71.459 1.00 40.79 C +ATOM 2274 O HIS A 283 17.707 25.163 70.224 1.00 41.40 O +ATOM 2275 CB HIS A 283 16.022 26.999 72.172 1.00 35.66 C +ATOM 2276 CG HIS A 283 15.102 26.113 72.945 1.00 35.06 C +ATOM 2277 ND1 HIS A 283 14.740 24.832 72.510 1.00 33.81 N +ATOM 2278 CD2 HIS A 283 14.536 26.321 74.152 1.00 32.91 C +ATOM 2279 CE1 HIS A 283 13.950 24.332 73.425 1.00 33.15 C +ATOM 2280 NE2 HIS A 283 13.823 25.204 74.431 1.00 33.05 N +ATOM 2281 N PRO A 284 17.592 24.065 72.153 1.00 41.77 N +ATOM 2282 CA PRO A 284 17.623 22.733 71.576 1.00 41.69 C +ATOM 2283 C PRO A 284 16.657 22.600 70.419 1.00 40.84 C +ATOM 2284 O PRO A 284 16.913 21.717 69.591 1.00 41.14 O +ATOM 2285 CB PRO A 284 17.316 21.793 72.733 1.00 40.99 C +ATOM 2286 CG PRO A 284 16.820 22.650 73.847 1.00 40.79 C +ATOM 2287 CD PRO A 284 17.471 23.984 73.630 1.00 41.28 C +ATOM 2288 N PHE A 285 15.660 23.425 70.178 1.00 39.79 N +ATOM 2289 CA PHE A 285 14.818 23.342 69.013 1.00 41.12 C +ATOM 2290 C PHE A 285 15.596 23.434 67.699 1.00 41.26 C +ATOM 2291 O PHE A 285 15.200 22.825 66.678 1.00 39.47 O +ATOM 2292 CB PHE A 285 13.772 24.477 69.026 1.00 40.65 C +ATOM 2293 CG PHE A 285 12.731 24.385 67.938 1.00 41.13 C +ATOM 2294 CD1 PHE A 285 11.950 23.236 67.777 1.00 40.50 C +ATOM 2295 CD2 PHE A 285 12.507 25.452 67.093 1.00 39.71 C +ATOM 2296 CE1 PHE A 285 11.004 23.159 66.784 1.00 40.58 C +ATOM 2297 CE2 PHE A 285 11.542 25.372 66.107 1.00 40.32 C +ATOM 2298 CZ PHE A 285 10.789 24.236 65.932 1.00 39.97 C +ATOM 2299 N PHE A 286 16.644 24.268 67.749 1.00 41.29 N +ATOM 2300 CA PHE A 286 17.447 24.513 66.567 1.00 43.94 C +ATOM 2301 C PHE A 286 18.699 23.690 66.341 1.00 47.78 C +ATOM 2302 O PHE A 286 19.360 24.000 65.334 1.00 46.95 O +ATOM 2303 CB PHE A 286 17.807 26.013 66.520 1.00 40.69 C +ATOM 2304 CG PHE A 286 16.676 26.966 66.716 1.00 36.32 C +ATOM 2305 CD1 PHE A 286 15.771 27.193 65.701 1.00 34.73 C +ATOM 2306 CD2 PHE A 286 16.508 27.623 67.919 1.00 36.31 C +ATOM 2307 CE1 PHE A 286 14.716 28.058 65.887 1.00 35.12 C +ATOM 2308 CE2 PHE A 286 15.460 28.504 68.112 1.00 36.10 C +ATOM 2309 CZ PHE A 286 14.576 28.740 67.078 1.00 35.72 C +ATOM 2310 N GLN A 287 19.070 22.636 67.039 1.00 52.76 N +ATOM 2311 CA GLN A 287 20.253 21.835 66.788 1.00 58.59 C +ATOM 2312 C GLN A 287 20.520 21.515 65.322 1.00 60.18 C +ATOM 2313 O GLN A 287 21.620 21.530 64.791 1.00 59.61 O +ATOM 2314 CB GLN A 287 20.241 20.545 67.618 1.00 61.47 C +ATOM 2315 CG GLN A 287 19.239 19.458 67.303 1.00 65.78 C +ATOM 2316 CD GLN A 287 19.152 18.322 68.318 1.00 67.19 C +ATOM 2317 OE1 GLN A 287 19.841 17.282 68.230 1.00 68.15 O +ATOM 2318 NE2 GLN A 287 18.278 18.501 69.320 1.00 67.26 N +ATOM 2319 N ASP A 288 19.494 21.164 64.586 1.00 63.04 N +ATOM 2320 CA ASP A 288 19.461 20.763 63.202 1.00 65.08 C +ATOM 2321 C ASP A 288 18.877 21.804 62.258 1.00 63.93 C +ATOM 2322 O ASP A 288 18.478 21.477 61.133 1.00 63.80 O +ATOM 2323 CB ASP A 288 18.637 19.474 63.117 1.00 68.28 C +ATOM 2324 CG ASP A 288 17.274 19.507 63.773 1.00 70.37 C +ATOM 2325 OD1 ASP A 288 16.990 20.388 64.616 1.00 71.99 O +ATOM 2326 OD2 ASP A 288 16.410 18.637 63.500 1.00 70.43 O +ATOM 2327 N VAL A 289 18.823 23.062 62.701 1.00 62.35 N +ATOM 2328 CA VAL A 289 18.288 24.070 61.791 1.00 60.42 C +ATOM 2329 C VAL A 289 19.193 24.128 60.560 1.00 60.02 C +ATOM 2330 O VAL A 289 20.407 24.048 60.549 1.00 57.94 O +ATOM 2331 CB VAL A 289 18.029 25.430 62.436 1.00 58.42 C +ATOM 2332 CG1 VAL A 289 19.343 26.098 62.765 1.00 57.90 C +ATOM 2333 CG2 VAL A 289 17.185 26.329 61.550 1.00 56.32 C +ATOM 2334 N THR A 290 18.520 24.172 59.425 1.00 60.96 N +ATOM 2335 CA THR A 290 19.077 24.301 58.096 1.00 63.16 C +ATOM 2336 C THR A 290 18.310 25.425 57.399 1.00 65.86 C +ATOM 2337 O THR A 290 17.511 26.084 58.072 1.00 65.57 O +ATOM 2338 CB THR A 290 19.007 23.017 57.252 1.00 61.64 C +ATOM 2339 OG1 THR A 290 17.667 22.603 56.962 1.00 58.23 O +ATOM 2340 CG2 THR A 290 19.726 21.861 57.951 1.00 60.94 C +ATOM 2341 N LYS A 291 18.451 25.593 56.099 1.00 69.46 N +ATOM 2342 CA LYS A 291 17.709 26.619 55.377 1.00 73.86 C +ATOM 2343 C LYS A 291 17.125 26.112 54.075 1.00 78.81 C +ATOM 2344 O LYS A 291 17.610 26.396 52.976 1.00 77.14 O +ATOM 2345 CB LYS A 291 18.617 27.848 55.135 1.00 72.27 C +ATOM 2346 CG LYS A 291 18.019 28.992 54.365 1.00 72.26 C +ATOM 2347 CD LYS A 291 18.431 30.400 54.637 1.00 71.20 C +ATOM 2348 CE LYS A 291 19.146 31.115 53.512 1.00 70.46 C +ATOM 2349 NZ LYS A 291 19.307 32.589 53.683 1.00 71.10 N +ATOM 2350 N PRO A 292 16.052 25.341 54.127 1.00 84.60 N +ATOM 2351 CA PRO A 292 15.421 24.875 52.896 1.00 90.44 C +ATOM 2352 C PRO A 292 14.778 26.068 52.203 1.00 97.51 C +ATOM 2353 O PRO A 292 14.395 27.065 52.792 1.00 97.49 O +ATOM 2354 CB PRO A 292 14.447 23.806 53.328 1.00 88.58 C +ATOM 2355 CG PRO A 292 14.190 24.048 54.763 1.00 86.70 C +ATOM 2356 CD PRO A 292 15.308 24.896 55.312 1.00 85.26 C +ATOM 2357 N VAL A 293 14.696 25.986 50.903 1.00107.39 N +ATOM 2358 CA VAL A 293 14.130 26.990 50.012 1.00117.50 C +ATOM 2359 C VAL A 293 12.695 26.580 49.750 1.00126.17 C +ATOM 2360 O VAL A 293 12.465 25.516 49.181 1.00126.04 O +ATOM 2361 CB VAL A 293 15.024 26.974 48.759 1.00117.01 C +ATOM 2362 CG1 VAL A 293 14.494 27.904 47.691 1.00117.65 C +ATOM 2363 CG2 VAL A 293 16.457 27.365 49.117 1.00117.30 C +ATOM 2364 N PRO A 294 11.718 27.333 50.236 1.00134.57 N +ATOM 2365 CA PRO A 294 10.311 27.028 50.119 1.00141.20 C +ATOM 2366 C PRO A 294 9.797 26.873 48.704 1.00148.57 C +ATOM 2367 O PRO A 294 10.418 27.377 47.773 1.00148.89 O +ATOM 2368 CB PRO A 294 9.619 28.238 50.752 1.00139.85 C +ATOM 2369 CG PRO A 294 10.617 29.335 50.601 1.00138.35 C +ATOM 2370 CD PRO A 294 11.921 28.635 50.929 1.00136.14 C +ATOM 2371 N HIS A 295 8.657 26.216 48.540 1.00157.56 N +ATOM 2372 CA HIS A 295 8.065 26.054 47.214 1.00166.04 C +ATOM 2373 C HIS A 295 7.611 27.408 46.677 1.00169.61 C +ATOM 2374 O HIS A 295 7.024 28.216 47.399 1.00170.48 O +ATOM 2375 CB HIS A 295 6.885 25.090 47.272 1.00169.15 C +ATOM 2376 CG HIS A 295 6.279 24.681 45.968 1.00171.98 C +ATOM 2377 ND1 HIS A 295 5.124 23.929 45.886 1.00172.74 N +ATOM 2378 CD2 HIS A 295 6.639 24.921 44.683 1.00172.88 C +ATOM 2379 CE1 HIS A 295 4.815 23.707 44.624 1.00173.37 C +ATOM 2380 NE2 HIS A 295 5.717 24.307 43.871 1.00173.46 N +ATOM 2381 N LEU A 296 7.888 27.700 45.414 1.00173.45 N +ATOM 2382 CA LEU A 296 7.478 28.926 44.753 1.00176.31 C +ATOM 2383 C LEU A 296 7.400 28.703 43.235 1.00176.43 C +ATOM 2384 O LEU A 296 8.425 28.383 42.602 1.00177.11 O +ATOM 2385 CB LEU A 296 8.370 30.126 45.055 1.00177.80 C +ATOM 2386 CG LEU A 296 8.137 30.980 46.289 1.00178.50 C +ATOM 2387 CD1 LEU A 296 8.881 32.296 46.286 1.00179.04 C +ATOM 2388 CD2 LEU A 296 6.673 31.194 46.611 1.00179.08 C +TER 2389 LEU A 296 +ATOM 2390 N VAL B 175 15.441 44.982 81.701 1.00124.49 N +ATOM 2391 CA VAL B 175 15.682 43.889 80.751 1.00123.90 C +ATOM 2392 C VAL B 175 17.137 43.904 80.354 1.00120.75 C +ATOM 2393 O VAL B 175 17.649 43.976 79.208 1.00120.70 O +ATOM 2394 CB VAL B 175 14.580 43.883 79.690 1.00125.35 C +ATOM 2395 CG1 VAL B 175 14.966 43.632 78.249 1.00125.65 C +ATOM 2396 CG2 VAL B 175 13.547 42.810 80.090 1.00125.73 C +ATOM 2397 N PRO B 176 18.008 43.744 81.380 1.00116.71 N +ATOM 2398 CA PRO B 176 19.452 43.640 81.288 1.00111.75 C +ATOM 2399 C PRO B 176 19.920 42.423 80.511 1.00104.40 C +ATOM 2400 O PRO B 176 20.817 41.689 80.901 1.00103.80 O +ATOM 2401 CB PRO B 176 19.969 43.542 82.726 1.00113.30 C +ATOM 2402 CG PRO B 176 18.847 44.010 83.567 1.00114.79 C +ATOM 2403 CD PRO B 176 17.609 43.621 82.813 1.00116.25 C +ATOM 2404 N ASP B 177 19.292 42.164 79.389 1.00 94.75 N +ATOM 2405 CA ASP B 177 19.490 41.084 78.471 1.00 85.10 C +ATOM 2406 C ASP B 177 20.417 41.700 77.415 1.00 75.80 C +ATOM 2407 O ASP B 177 21.256 41.017 76.849 1.00 76.32 O +ATOM 2408 CB ASP B 177 18.205 40.672 77.764 1.00 86.13 C +ATOM 2409 CG ASP B 177 17.289 39.660 78.404 1.00 85.28 C +ATOM 2410 OD1 ASP B 177 17.836 38.812 79.153 1.00 86.35 O +ATOM 2411 OD2 ASP B 177 16.061 39.678 78.150 1.00 84.28 O +ATOM 2412 N TYR B 178 20.126 42.976 77.182 1.00 63.75 N +ATOM 2413 CA TYR B 178 20.851 43.661 76.113 1.00 53.35 C +ATOM 2414 C TYR B 178 21.650 44.832 76.632 1.00 48.68 C +ATOM 2415 O TYR B 178 22.151 45.612 75.840 1.00 46.89 O +ATOM 2416 CB TYR B 178 19.756 44.035 75.097 1.00 48.15 C +ATOM 2417 CG TYR B 178 19.074 42.842 74.445 1.00 43.15 C +ATOM 2418 CD1 TYR B 178 19.778 42.139 73.475 1.00 40.63 C +ATOM 2419 CD2 TYR B 178 17.819 42.388 74.822 1.00 41.61 C +ATOM 2420 CE1 TYR B 178 19.238 41.055 72.848 1.00 39.37 C +ATOM 2421 CE2 TYR B 178 17.268 41.278 74.211 1.00 40.48 C +ATOM 2422 CZ TYR B 178 17.972 40.628 73.212 1.00 39.77 C +ATOM 2423 OH TYR B 178 17.462 39.543 72.546 1.00 37.84 O +ATOM 2424 N HIS B 179 21.769 45.023 77.922 1.00 45.28 N +ATOM 2425 CA HIS B 179 22.451 46.128 78.537 1.00 45.82 C +ATOM 2426 C HIS B 179 23.890 46.262 78.048 1.00 44.09 C +ATOM 2427 O HIS B 179 24.081 47.354 77.461 1.00 40.69 O +ATOM 2428 CB HIS B 179 22.239 46.125 80.041 1.00 49.44 C +ATOM 2429 CG HIS B 179 20.958 46.466 80.724 1.00 51.15 C +ATOM 2430 ND1 HIS B 179 19.686 46.492 80.236 1.00 52.96 N +ATOM 2431 CD2 HIS B 179 20.799 46.786 82.038 1.00 52.83 C +ATOM 2432 CE1 HIS B 179 18.791 46.808 81.160 1.00 53.16 C +ATOM 2433 NE2 HIS B 179 19.460 46.986 82.283 1.00 53.95 N +ATOM 2434 N GLU B 180 24.797 45.273 78.162 1.00 42.81 N +ATOM 2435 CA GLU B 180 26.132 45.415 77.623 1.00 43.22 C +ATOM 2436 C GLU B 180 25.964 45.553 76.109 1.00 40.65 C +ATOM 2437 O GLU B 180 26.554 46.495 75.538 1.00 40.79 O +ATOM 2438 CB GLU B 180 27.245 44.484 78.083 1.00 46.67 C +ATOM 2439 CG GLU B 180 27.819 44.471 79.478 1.00 50.62 C +ATOM 2440 CD GLU B 180 27.682 45.580 80.499 1.00 53.39 C +ATOM 2441 OE1 GLU B 180 27.310 46.764 80.212 1.00 52.01 O +ATOM 2442 OE2 GLU B 180 27.950 45.326 81.730 1.00 54.65 O +ATOM 2443 N ASP B 181 25.119 44.858 75.390 1.00 37.93 N +ATOM 2444 CA ASP B 181 24.969 45.140 73.964 1.00 36.37 C +ATOM 2445 C ASP B 181 24.601 46.571 73.698 1.00 34.29 C +ATOM 2446 O ASP B 181 25.280 47.174 72.905 1.00 33.18 O +ATOM 2447 CB ASP B 181 23.937 44.256 73.284 1.00 39.03 C +ATOM 2448 CG ASP B 181 24.353 42.799 73.224 1.00 41.00 C +ATOM 2449 OD1 ASP B 181 25.554 42.537 73.462 1.00 42.71 O +ATOM 2450 OD2 ASP B 181 23.428 42.023 72.931 1.00 41.54 O +ATOM 2451 N ILE B 182 23.583 47.185 74.297 1.00 35.26 N +ATOM 2452 CA ILE B 182 23.199 48.570 74.051 1.00 33.11 C +ATOM 2453 C ILE B 182 24.212 49.619 74.503 1.00 31.29 C +ATOM 2454 O ILE B 182 24.363 50.633 73.810 1.00 29.35 O +ATOM 2455 CB ILE B 182 21.803 48.776 74.681 1.00 32.48 C +ATOM 2456 CG1 ILE B 182 20.791 47.911 73.882 1.00 30.58 C +ATOM 2457 CG2 ILE B 182 21.381 50.231 74.769 1.00 30.18 C +ATOM 2458 CD1 ILE B 182 19.449 47.818 74.607 1.00 26.73 C +ATOM 2459 N HIS B 183 24.905 49.394 75.602 1.00 29.93 N +ATOM 2460 CA HIS B 183 25.908 50.320 76.112 1.00 31.76 C +ATOM 2461 C HIS B 183 27.019 50.319 75.060 1.00 31.82 C +ATOM 2462 O HIS B 183 27.484 51.320 74.499 1.00 33.45 O +ATOM 2463 CB HIS B 183 26.473 49.943 77.478 1.00 31.26 C +ATOM 2464 CG HIS B 183 27.567 50.848 77.969 1.00 32.32 C +ATOM 2465 ND1 HIS B 183 27.251 52.002 78.660 1.00 33.63 N +ATOM 2466 CD2 HIS B 183 28.909 50.854 77.924 1.00 32.22 C +ATOM 2467 CE1 HIS B 183 28.311 52.712 78.960 1.00 32.98 C +ATOM 2468 NE2 HIS B 183 29.331 52.017 78.538 1.00 33.31 N +ATOM 2469 N THR B 184 27.426 49.092 74.722 1.00 30.45 N +ATOM 2470 CA THR B 184 28.414 48.989 73.641 1.00 28.26 C +ATOM 2471 C THR B 184 27.966 49.685 72.374 1.00 27.43 C +ATOM 2472 O THR B 184 28.789 50.420 71.840 1.00 28.66 O +ATOM 2473 CB THR B 184 28.788 47.538 73.298 1.00 24.42 C +ATOM 2474 OG1 THR B 184 29.525 47.081 74.460 1.00 20.38 O +ATOM 2475 CG2 THR B 184 29.678 47.550 72.060 1.00 18.45 C +ATOM 2476 N TYR B 185 26.753 49.617 71.893 1.00 26.95 N +ATOM 2477 CA TYR B 185 26.430 50.313 70.638 1.00 26.75 C +ATOM 2478 C TYR B 185 26.323 51.820 70.779 1.00 27.25 C +ATOM 2479 O TYR B 185 26.684 52.650 69.909 1.00 25.45 O +ATOM 2480 CB TYR B 185 25.212 49.580 70.153 1.00 24.47 C +ATOM 2481 CG TYR B 185 24.623 50.208 68.913 1.00 26.74 C +ATOM 2482 CD1 TYR B 185 25.257 50.052 67.686 1.00 24.99 C +ATOM 2483 CD2 TYR B 185 23.426 50.909 68.986 1.00 24.85 C +ATOM 2484 CE1 TYR B 185 24.718 50.635 66.569 1.00 23.98 C +ATOM 2485 CE2 TYR B 185 22.883 51.473 67.854 1.00 24.41 C +ATOM 2486 CZ TYR B 185 23.540 51.347 66.672 1.00 24.64 C +ATOM 2487 OH TYR B 185 23.072 51.832 65.475 1.00 24.61 O +ATOM 2488 N LEU B 186 25.887 52.193 71.985 1.00 26.35 N +ATOM 2489 CA LEU B 186 25.667 53.615 72.256 1.00 26.57 C +ATOM 2490 C LEU B 186 27.005 54.309 72.224 1.00 25.46 C +ATOM 2491 O LEU B 186 27.117 55.378 71.660 1.00 24.42 O +ATOM 2492 CB LEU B 186 24.824 53.817 73.507 1.00 26.29 C +ATOM 2493 CG LEU B 186 23.324 53.485 73.481 1.00 25.67 C +ATOM 2494 CD1 LEU B 186 22.712 53.945 74.799 1.00 25.98 C +ATOM 2495 CD2 LEU B 186 22.576 54.062 72.324 1.00 22.72 C +ATOM 2496 N ARG B 187 28.006 53.717 72.845 1.00 27.44 N +ATOM 2497 CA ARG B 187 29.383 54.173 72.844 1.00 28.41 C +ATOM 2498 C ARG B 187 29.937 54.265 71.423 1.00 28.96 C +ATOM 2499 O ARG B 187 30.747 55.153 71.119 1.00 28.40 O +ATOM 2500 CB ARG B 187 30.285 53.245 73.664 1.00 27.14 C +ATOM 2501 CG ARG B 187 29.952 53.350 75.147 1.00 28.22 C +ATOM 2502 CD ARG B 187 30.430 54.727 75.714 1.00 27.87 C +ATOM 2503 NE ARG B 187 31.869 54.662 75.752 1.00 26.79 N +ATOM 2504 CZ ARG B 187 32.784 54.170 76.560 1.00 28.06 C +ATOM 2505 NH1 ARG B 187 32.504 53.655 77.771 1.00 28.28 N +ATOM 2506 NH2 ARG B 187 34.037 54.257 76.064 1.00 25.98 N +ATOM 2507 N GLU B 188 29.559 53.390 70.501 1.00 30.76 N +ATOM 2508 CA GLU B 188 30.070 53.555 69.130 1.00 33.12 C +ATOM 2509 C GLU B 188 29.354 54.678 68.396 1.00 33.19 C +ATOM 2510 O GLU B 188 29.994 55.418 67.643 1.00 32.85 O +ATOM 2511 CB GLU B 188 30.022 52.209 68.428 1.00 35.51 C +ATOM 2512 CG GLU B 188 29.958 52.295 66.955 1.00 41.66 C +ATOM 2513 CD GLU B 188 29.533 51.130 66.104 1.00 46.26 C +ATOM 2514 OE1 GLU B 188 29.004 50.107 66.612 1.00 48.48 O +ATOM 2515 OE2 GLU B 188 29.758 51.281 64.860 1.00 47.66 O +ATOM 2516 N MET B 189 28.052 54.864 68.611 1.00 33.24 N +ATOM 2517 CA MET B 189 27.301 55.912 67.963 1.00 33.73 C +ATOM 2518 C MET B 189 27.557 57.267 68.596 1.00 34.52 C +ATOM 2519 O MET B 189 27.338 58.238 67.901 1.00 35.60 O +ATOM 2520 CB MET B 189 25.815 55.606 67.939 1.00 33.79 C +ATOM 2521 CG MET B 189 25.305 54.403 67.192 1.00 35.93 C +ATOM 2522 SD MET B 189 26.317 53.885 65.771 1.00 39.93 S +ATOM 2523 CE MET B 189 25.894 55.328 64.749 1.00 35.92 C +ATOM 2524 N GLU B 190 28.037 57.438 69.828 1.00 35.89 N +ATOM 2525 CA GLU B 190 28.272 58.795 70.344 1.00 35.49 C +ATOM 2526 C GLU B 190 29.431 59.422 69.555 1.00 36.34 C +ATOM 2527 O GLU B 190 29.558 60.626 69.363 1.00 36.97 O +ATOM 2528 CB GLU B 190 28.475 58.843 71.836 1.00 33.16 C +ATOM 2529 CG GLU B 190 29.760 58.435 72.512 1.00 32.92 C +ATOM 2530 CD GLU B 190 29.672 58.560 74.043 1.00 31.96 C +ATOM 2531 OE1 GLU B 190 28.775 59.258 74.567 1.00 30.36 O +ATOM 2532 OE2 GLU B 190 30.513 57.924 74.706 1.00 28.61 O +ATOM 2533 N VAL B 191 30.386 58.624 69.132 1.00 36.14 N +ATOM 2534 CA VAL B 191 31.487 59.036 68.301 1.00 36.28 C +ATOM 2535 C VAL B 191 30.951 59.369 66.925 1.00 38.00 C +ATOM 2536 O VAL B 191 31.194 60.472 66.459 1.00 37.10 O +ATOM 2537 CB VAL B 191 32.524 57.906 68.205 1.00 36.08 C +ATOM 2538 CG1 VAL B 191 33.751 58.487 67.490 1.00 34.31 C +ATOM 2539 CG2 VAL B 191 32.803 57.364 69.604 1.00 32.42 C +ATOM 2540 N LYS B 192 30.100 58.538 66.315 1.00 40.37 N +ATOM 2541 CA LYS B 192 29.618 58.989 64.992 1.00 42.59 C +ATOM 2542 C LYS B 192 28.553 60.055 65.127 1.00 45.02 C +ATOM 2543 O LYS B 192 28.556 60.916 64.243 1.00 48.57 O +ATOM 2544 CB LYS B 192 29.156 57.837 64.104 1.00 40.46 C +ATOM 2545 CG LYS B 192 30.166 56.676 64.158 1.00 38.02 C +ATOM 2546 CD LYS B 192 29.452 55.448 63.673 1.00 39.53 C +ATOM 2547 CE LYS B 192 30.308 54.230 63.423 1.00 40.96 C +ATOM 2548 NZ LYS B 192 29.678 53.274 62.463 1.00 40.75 N +ATOM 2549 N CYS B 193 27.712 60.093 66.160 1.00 45.02 N +ATOM 2550 CA CYS B 193 26.689 61.139 66.177 1.00 43.42 C +ATOM 2551 C CYS B 193 27.277 62.390 66.759 1.00 44.92 C +ATOM 2552 O CYS B 193 26.670 63.479 66.562 1.00 46.13 O +ATOM 2553 CB CYS B 193 25.357 60.439 66.518 1.00 42.24 C +ATOM 2554 SG CYS B 193 24.272 60.113 65.018 1.00 41.07 S +ATOM 2555 N LYS B 194 28.524 62.531 67.238 1.00 45.08 N +ATOM 2556 CA LYS B 194 29.129 63.735 67.818 1.00 45.00 C +ATOM 2557 C LYS B 194 29.366 64.929 66.924 1.00 44.94 C +ATOM 2558 O LYS B 194 29.772 64.757 65.774 1.00 46.87 O +ATOM 2559 CB LYS B 194 30.486 63.462 68.510 1.00 45.36 C +ATOM 2560 CG LYS B 194 31.168 64.649 69.092 1.00 45.65 C +ATOM 2561 CD LYS B 194 32.234 64.614 70.133 1.00 46.71 C +ATOM 2562 CE LYS B 194 33.354 65.615 70.046 1.00 46.90 C +ATOM 2563 NZ LYS B 194 33.125 66.793 69.147 1.00 48.53 N +ATOM 2564 N PRO B 195 29.218 66.159 67.417 1.00 44.46 N +ATOM 2565 CA PRO B 195 29.368 67.361 66.594 1.00 43.95 C +ATOM 2566 C PRO B 195 30.784 67.892 66.522 1.00 43.90 C +ATOM 2567 O PRO B 195 31.573 67.494 67.375 1.00 42.53 O +ATOM 2568 CB PRO B 195 28.406 68.354 67.216 1.00 43.48 C +ATOM 2569 CG PRO B 195 27.835 67.731 68.437 1.00 43.99 C +ATOM 2570 CD PRO B 195 28.654 66.500 68.736 1.00 43.53 C +ATOM 2571 N LYS B 196 31.147 68.706 65.539 1.00 45.86 N +ATOM 2572 CA LYS B 196 32.487 69.284 65.386 1.00 47.88 C +ATOM 2573 C LYS B 196 32.844 70.088 66.639 1.00 47.08 C +ATOM 2574 O LYS B 196 32.062 71.012 66.917 1.00 46.73 O +ATOM 2575 CB LYS B 196 32.585 70.242 64.213 1.00 50.18 C +ATOM 2576 CG LYS B 196 33.124 69.936 62.834 1.00 53.79 C +ATOM 2577 CD LYS B 196 33.694 71.158 62.111 1.00 55.37 C +ATOM 2578 CE LYS B 196 34.116 70.932 60.678 1.00 56.34 C +ATOM 2579 NZ LYS B 196 35.571 70.772 60.382 1.00 56.80 N +ATOM 2580 N VAL B 197 33.921 69.841 67.379 1.00 45.71 N +ATOM 2581 CA VAL B 197 34.177 70.645 68.573 1.00 46.17 C +ATOM 2582 C VAL B 197 34.443 72.126 68.266 1.00 45.44 C +ATOM 2583 O VAL B 197 34.026 72.969 69.070 1.00 43.78 O +ATOM 2584 CB VAL B 197 35.351 70.220 69.481 1.00 45.98 C +ATOM 2585 CG1 VAL B 197 35.285 71.036 70.775 1.00 45.38 C +ATOM 2586 CG2 VAL B 197 35.324 68.746 69.827 1.00 45.42 C +ATOM 2587 N GLY B 198 35.157 72.401 67.164 1.00 44.02 N +ATOM 2588 CA GLY B 198 35.417 73.791 66.860 1.00 44.78 C +ATOM 2589 C GLY B 198 34.453 74.551 65.979 1.00 44.32 C +ATOM 2590 O GLY B 198 34.875 75.607 65.475 1.00 46.55 O +ATOM 2591 N TYR B 199 33.187 74.196 65.840 1.00 42.72 N +ATOM 2592 CA TYR B 199 32.324 74.897 64.926 1.00 42.62 C +ATOM 2593 C TYR B 199 32.020 76.350 65.175 1.00 43.54 C +ATOM 2594 O TYR B 199 31.787 77.014 64.147 1.00 45.32 O +ATOM 2595 CB TYR B 199 31.018 74.154 64.651 1.00 40.16 C +ATOM 2596 CG TYR B 199 29.854 74.419 65.549 1.00 37.93 C +ATOM 2597 CD1 TYR B 199 29.058 75.562 65.483 1.00 37.54 C +ATOM 2598 CD2 TYR B 199 29.532 73.429 66.471 1.00 35.53 C +ATOM 2599 CE1 TYR B 199 27.980 75.719 66.346 1.00 36.32 C +ATOM 2600 CE2 TYR B 199 28.465 73.590 67.318 1.00 33.98 C +ATOM 2601 CZ TYR B 199 27.697 74.723 67.251 1.00 34.87 C +ATOM 2602 OH TYR B 199 26.625 74.796 68.111 1.00 35.19 O +ATOM 2603 N MET B 200 31.934 76.830 66.386 1.00 43.67 N +ATOM 2604 CA MET B 200 31.609 78.233 66.644 1.00 45.78 C +ATOM 2605 C MET B 200 32.714 79.154 66.170 1.00 50.14 C +ATOM 2606 O MET B 200 32.403 80.235 65.651 1.00 50.97 O +ATOM 2607 CB MET B 200 31.257 78.405 68.108 1.00 43.28 C +ATOM 2608 CG MET B 200 30.185 79.310 68.629 1.00 37.91 C +ATOM 2609 SD MET B 200 28.688 79.348 67.693 1.00 34.26 S +ATOM 2610 CE MET B 200 27.636 78.218 68.576 1.00 36.35 C +ATOM 2611 N LYS B 201 33.986 78.772 66.111 1.00 54.33 N +ATOM 2612 CA LYS B 201 35.041 79.619 65.586 1.00 58.28 C +ATOM 2613 C LYS B 201 34.726 79.876 64.112 1.00 59.84 C +ATOM 2614 O LYS B 201 35.196 80.848 63.532 1.00 59.78 O +ATOM 2615 CB LYS B 201 36.450 79.032 65.605 1.00 60.64 C +ATOM 2616 CG LYS B 201 37.323 79.134 66.826 1.00 63.08 C +ATOM 2617 CD LYS B 201 38.801 78.933 66.516 1.00 65.53 C +ATOM 2618 CE LYS B 201 39.688 79.594 67.571 1.00 66.04 C +ATOM 2619 NZ LYS B 201 41.117 79.186 67.445 1.00 66.56 N +ATOM 2620 N LYS B 202 34.031 78.942 63.460 1.00 60.85 N +ATOM 2621 CA LYS B 202 33.772 79.170 62.036 1.00 60.59 C +ATOM 2622 C LYS B 202 32.370 79.721 61.877 1.00 58.71 C +ATOM 2623 O LYS B 202 31.967 79.811 60.737 1.00 56.28 O +ATOM 2624 CB LYS B 202 34.080 77.969 61.156 1.00 63.10 C +ATOM 2625 CG LYS B 202 34.946 76.892 61.777 1.00 65.81 C +ATOM 2626 CD LYS B 202 36.215 76.616 61.000 1.00 68.82 C +ATOM 2627 CE LYS B 202 37.273 77.674 61.257 1.00 70.97 C +ATOM 2628 NZ LYS B 202 37.836 77.730 62.634 1.00 72.60 N +ATOM 2629 N GLN B 203 31.667 80.133 62.939 1.00 58.12 N +ATOM 2630 CA GLN B 203 30.342 80.730 62.699 1.00 56.51 C +ATOM 2631 C GLN B 203 30.529 82.237 62.606 1.00 56.93 C +ATOM 2632 O GLN B 203 30.923 82.997 63.490 1.00 58.39 O +ATOM 2633 CB GLN B 203 29.233 80.274 63.626 1.00 53.69 C +ATOM 2634 CG GLN B 203 28.693 78.907 63.324 1.00 52.02 C +ATOM 2635 CD GLN B 203 27.682 78.680 62.242 1.00 50.45 C +ATOM 2636 OE1 GLN B 203 27.434 79.524 61.393 1.00 51.19 O +ATOM 2637 NE2 GLN B 203 27.063 77.497 62.225 1.00 49.23 N +ATOM 2638 N PRO B 204 30.313 82.725 61.388 1.00 56.94 N +ATOM 2639 CA PRO B 204 30.511 84.135 61.077 1.00 56.12 C +ATOM 2640 C PRO B 204 29.638 85.020 61.946 1.00 54.58 C +ATOM 2641 O PRO B 204 30.124 86.062 62.399 1.00 56.27 O +ATOM 2642 CB PRO B 204 30.202 84.245 59.599 1.00 56.01 C +ATOM 2643 CG PRO B 204 29.416 83.033 59.265 1.00 56.96 C +ATOM 2644 CD PRO B 204 29.856 81.951 60.215 1.00 57.08 C +ATOM 2645 N ASP B 205 28.394 84.632 62.201 1.00 51.60 N +ATOM 2646 CA ASP B 205 27.473 85.455 62.948 1.00 49.30 C +ATOM 2647 C ASP B 205 26.911 84.961 64.256 1.00 49.86 C +ATOM 2648 O ASP B 205 26.193 85.755 64.892 1.00 50.34 O +ATOM 2649 CB ASP B 205 26.292 85.715 61.976 1.00 48.93 C +ATOM 2650 CG ASP B 205 25.576 86.983 62.350 1.00 48.83 C +ATOM 2651 OD1 ASP B 205 26.331 87.964 62.483 1.00 49.95 O +ATOM 2652 OD2 ASP B 205 24.364 87.104 62.559 1.00 48.93 O +ATOM 2653 N ILE B 206 27.005 83.699 64.699 1.00 49.68 N +ATOM 2654 CA ILE B 206 26.416 83.301 65.972 1.00 49.80 C +ATOM 2655 C ILE B 206 27.533 82.968 66.937 1.00 49.68 C +ATOM 2656 O ILE B 206 28.701 82.925 66.530 1.00 50.47 O +ATOM 2657 CB ILE B 206 25.320 82.251 65.900 1.00 49.83 C +ATOM 2658 CG1 ILE B 206 25.823 80.813 65.829 1.00 49.42 C +ATOM 2659 CG2 ILE B 206 24.410 82.585 64.710 1.00 49.09 C +ATOM 2660 CD1 ILE B 206 25.006 79.857 64.971 1.00 47.93 C +ATOM 2661 N THR B 207 27.230 82.893 68.229 1.00 48.80 N +ATOM 2662 CA THR B 207 28.301 82.731 69.210 1.00 47.52 C +ATOM 2663 C THR B 207 27.944 81.713 70.278 1.00 45.95 C +ATOM 2664 O THR B 207 26.768 81.372 70.360 1.00 44.15 O +ATOM 2665 CB THR B 207 28.418 84.071 69.987 1.00 47.60 C +ATOM 2666 OG1 THR B 207 27.091 84.369 70.487 1.00 48.31 O +ATOM 2667 CG2 THR B 207 28.884 85.254 69.199 1.00 45.05 C +ATOM 2668 N ASN B 208 28.844 81.427 71.216 1.00 45.18 N +ATOM 2669 CA ASN B 208 28.429 80.446 72.222 1.00 45.27 C +ATOM 2670 C ASN B 208 27.245 80.924 73.024 1.00 45.29 C +ATOM 2671 O ASN B 208 26.332 80.203 73.415 1.00 47.74 O +ATOM 2672 CB ASN B 208 29.563 80.110 73.189 1.00 44.87 C +ATOM 2673 CG ASN B 208 30.594 79.305 72.444 1.00 45.15 C +ATOM 2674 OD1 ASN B 208 30.344 78.294 71.780 1.00 47.91 O +ATOM 2675 ND2 ASN B 208 31.817 79.771 72.493 1.00 44.81 N +ATOM 2676 N SER B 209 27.285 82.187 73.347 1.00 44.83 N +ATOM 2677 CA SER B 209 26.302 82.889 74.134 1.00 44.87 C +ATOM 2678 C SER B 209 24.979 82.977 73.405 1.00 43.56 C +ATOM 2679 O SER B 209 23.890 82.858 73.986 1.00 42.16 O +ATOM 2680 CB SER B 209 26.859 84.286 74.477 1.00 46.49 C +ATOM 2681 OG SER B 209 25.756 85.083 74.903 1.00 46.47 O +ATOM 2682 N MET B 210 25.115 83.172 72.087 1.00 43.44 N +ATOM 2683 CA MET B 210 23.882 83.133 71.280 1.00 43.10 C +ATOM 2684 C MET B 210 23.366 81.688 71.285 1.00 42.94 C +ATOM 2685 O MET B 210 22.157 81.445 71.414 1.00 43.78 O +ATOM 2686 CB MET B 210 24.108 83.672 69.915 1.00 43.31 C +ATOM 2687 CG MET B 210 24.509 85.118 69.748 1.00 42.69 C +ATOM 2688 SD MET B 210 24.088 85.518 68.022 1.00 43.11 S +ATOM 2689 CE MET B 210 22.290 85.417 68.306 1.00 42.27 C +ATOM 2690 N ARG B 211 24.187 80.653 71.264 1.00 41.68 N +ATOM 2691 CA ARG B 211 23.709 79.295 71.398 1.00 41.83 C +ATOM 2692 C ARG B 211 23.202 79.009 72.805 1.00 42.75 C +ATOM 2693 O ARG B 211 22.309 78.174 73.001 1.00 44.81 O +ATOM 2694 CB ARG B 211 24.870 78.390 71.017 1.00 40.36 C +ATOM 2695 CG ARG B 211 24.541 76.940 71.295 1.00 39.91 C +ATOM 2696 CD ARG B 211 25.753 76.137 70.810 1.00 40.07 C +ATOM 2697 NE ARG B 211 25.693 74.807 71.360 1.00 40.92 N +ATOM 2698 CZ ARG B 211 25.445 74.352 72.581 1.00 40.31 C +ATOM 2699 NH1 ARG B 211 25.193 75.083 73.641 1.00 38.56 N +ATOM 2700 NH2 ARG B 211 25.485 73.031 72.717 1.00 40.75 N +ATOM 2701 N ALA B 212 23.795 79.656 73.804 1.00 40.72 N +ATOM 2702 CA ALA B 212 23.391 79.531 75.200 1.00 39.99 C +ATOM 2703 C ALA B 212 21.978 80.084 75.331 1.00 39.41 C +ATOM 2704 O ALA B 212 21.136 79.479 75.979 1.00 40.14 O +ATOM 2705 CB ALA B 212 24.309 80.227 76.215 1.00 36.47 C +ATOM 2706 N ILE B 213 21.702 81.239 74.722 1.00 38.97 N +ATOM 2707 CA ILE B 213 20.330 81.742 74.866 1.00 37.69 C +ATOM 2708 C ILE B 213 19.303 80.765 74.299 1.00 37.05 C +ATOM 2709 O ILE B 213 18.274 80.605 74.986 1.00 37.52 O +ATOM 2710 CB ILE B 213 20.236 83.125 74.250 1.00 36.89 C +ATOM 2711 CG1 ILE B 213 20.865 84.156 75.219 1.00 36.50 C +ATOM 2712 CG2 ILE B 213 18.813 83.490 73.883 1.00 35.76 C +ATOM 2713 CD1 ILE B 213 21.495 85.232 74.320 1.00 34.41 C +ATOM 2714 N LEU B 214 19.480 80.219 73.103 1.00 33.61 N +ATOM 2715 CA LEU B 214 18.611 79.287 72.426 1.00 30.92 C +ATOM 2716 C LEU B 214 18.348 77.979 73.176 1.00 31.28 C +ATOM 2717 O LEU B 214 17.233 77.440 73.311 1.00 30.99 O +ATOM 2718 CB LEU B 214 19.254 78.950 71.074 1.00 30.17 C +ATOM 2719 CG LEU B 214 18.748 77.764 70.242 1.00 29.15 C +ATOM 2720 CD1 LEU B 214 17.305 78.002 69.834 1.00 25.59 C +ATOM 2721 CD2 LEU B 214 19.592 77.409 69.006 1.00 26.02 C +ATOM 2722 N VAL B 215 19.400 77.449 73.814 1.00 30.35 N +ATOM 2723 CA VAL B 215 19.209 76.186 74.524 1.00 31.53 C +ATOM 2724 C VAL B 215 18.320 76.468 75.719 1.00 32.82 C +ATOM 2725 O VAL B 215 17.488 75.625 75.970 1.00 30.45 O +ATOM 2726 CB VAL B 215 20.515 75.474 74.918 1.00 30.28 C +ATOM 2727 CG1 VAL B 215 20.161 74.242 75.719 1.00 27.87 C +ATOM 2728 CG2 VAL B 215 21.329 75.114 73.709 1.00 25.51 C +ATOM 2729 N ASP B 216 18.496 77.627 76.360 1.00 35.30 N +ATOM 2730 CA ASP B 216 17.704 78.045 77.496 1.00 36.22 C +ATOM 2731 C ASP B 216 16.215 78.082 77.134 1.00 36.62 C +ATOM 2732 O ASP B 216 15.365 77.551 77.856 1.00 34.45 O +ATOM 2733 CB ASP B 216 18.080 79.460 77.993 1.00 38.40 C +ATOM 2734 CG ASP B 216 17.604 79.702 79.414 1.00 39.35 C +ATOM 2735 OD1 ASP B 216 16.535 80.327 79.610 1.00 39.50 O +ATOM 2736 OD2 ASP B 216 18.295 79.210 80.346 1.00 40.10 O +ATOM 2737 N TRP B 217 15.980 78.726 75.997 1.00 36.52 N +ATOM 2738 CA TRP B 217 14.650 78.885 75.451 1.00 38.68 C +ATOM 2739 C TRP B 217 13.935 77.545 75.273 1.00 38.32 C +ATOM 2740 O TRP B 217 12.756 77.381 75.593 1.00 37.74 O +ATOM 2741 CB TRP B 217 14.792 79.613 74.070 1.00 39.54 C +ATOM 2742 CG TRP B 217 13.388 79.711 73.551 1.00 39.68 C +ATOM 2743 CD1 TRP B 217 12.348 80.327 74.169 1.00 40.15 C +ATOM 2744 CD2 TRP B 217 12.866 79.114 72.367 1.00 40.77 C +ATOM 2745 NE1 TRP B 217 11.195 80.196 73.420 1.00 39.70 N +ATOM 2746 CE2 TRP B 217 11.493 79.446 72.316 1.00 40.78 C +ATOM 2747 CE3 TRP B 217 13.428 78.379 71.321 1.00 40.20 C +ATOM 2748 CZ2 TRP B 217 10.677 79.041 71.264 1.00 40.82 C +ATOM 2749 CZ3 TRP B 217 12.612 77.988 70.295 1.00 40.09 C +ATOM 2750 CH2 TRP B 217 11.257 78.330 70.271 1.00 40.82 C +ATOM 2751 N LEU B 218 14.710 76.613 74.707 1.00 36.25 N +ATOM 2752 CA LEU B 218 14.337 75.246 74.458 1.00 35.77 C +ATOM 2753 C LEU B 218 14.055 74.510 75.743 1.00 36.66 C +ATOM 2754 O LEU B 218 12.935 73.948 75.814 1.00 35.90 O +ATOM 2755 CB LEU B 218 15.361 74.523 73.580 1.00 36.63 C +ATOM 2756 CG LEU B 218 15.428 74.903 72.074 1.00 34.13 C +ATOM 2757 CD1 LEU B 218 16.563 74.115 71.453 1.00 32.30 C +ATOM 2758 CD2 LEU B 218 14.100 74.652 71.375 1.00 32.75 C +ATOM 2759 N VAL B 219 14.860 74.617 76.806 1.00 37.56 N +ATOM 2760 CA VAL B 219 14.430 74.048 78.093 1.00 38.49 C +ATOM 2761 C VAL B 219 12.990 74.448 78.422 1.00 39.98 C +ATOM 2762 O VAL B 219 12.069 73.724 78.796 1.00 38.18 O +ATOM 2763 CB VAL B 219 15.321 74.611 79.219 1.00 37.94 C +ATOM 2764 CG1 VAL B 219 14.743 74.438 80.623 1.00 35.88 C +ATOM 2765 CG2 VAL B 219 16.714 74.017 79.082 1.00 34.90 C +ATOM 2766 N GLU B 220 12.779 75.754 78.310 1.00 42.53 N +ATOM 2767 CA GLU B 220 11.543 76.463 78.641 1.00 45.23 C +ATOM 2768 C GLU B 220 10.374 75.988 77.817 1.00 45.16 C +ATOM 2769 O GLU B 220 9.376 75.590 78.425 1.00 44.49 O +ATOM 2770 CB GLU B 220 11.882 77.912 78.532 1.00 47.45 C +ATOM 2771 CG GLU B 220 10.924 79.047 78.531 1.00 49.68 C +ATOM 2772 CD GLU B 220 11.592 80.255 79.171 1.00 51.75 C +ATOM 2773 OE1 GLU B 220 11.088 80.528 80.293 1.00 54.13 O +ATOM 2774 OE2 GLU B 220 12.526 80.880 78.628 1.00 51.48 O +ATOM 2775 N VAL B 221 10.563 75.865 76.514 1.00 44.87 N +ATOM 2776 CA VAL B 221 9.576 75.262 75.617 1.00 44.42 C +ATOM 2777 C VAL B 221 9.293 73.839 76.099 1.00 43.22 C +ATOM 2778 O VAL B 221 8.165 73.375 75.985 1.00 42.67 O +ATOM 2779 CB VAL B 221 10.119 75.154 74.177 1.00 45.36 C +ATOM 2780 CG1 VAL B 221 9.214 74.461 73.164 1.00 45.31 C +ATOM 2781 CG2 VAL B 221 10.452 76.544 73.654 1.00 45.14 C +ATOM 2782 N GLY B 222 10.343 73.158 76.555 1.00 42.00 N +ATOM 2783 CA GLY B 222 10.254 71.802 77.072 1.00 41.37 C +ATOM 2784 C GLY B 222 9.290 71.742 78.247 1.00 41.21 C +ATOM 2785 O GLY B 222 8.344 70.953 78.249 1.00 40.36 O +ATOM 2786 N GLU B 223 9.509 72.574 79.254 1.00 42.64 N +ATOM 2787 CA GLU B 223 8.571 72.698 80.385 1.00 43.76 C +ATOM 2788 C GLU B 223 7.144 73.005 79.938 1.00 46.59 C +ATOM 2789 O GLU B 223 6.160 72.303 80.220 1.00 48.95 O +ATOM 2790 CB GLU B 223 9.080 73.854 81.232 1.00 42.56 C +ATOM 2791 CG GLU B 223 10.396 73.595 81.967 1.00 41.82 C +ATOM 2792 CD GLU B 223 9.980 72.462 82.905 1.00 43.63 C +ATOM 2793 OE1 GLU B 223 9.208 72.851 83.834 1.00 44.36 O +ATOM 2794 OE2 GLU B 223 10.381 71.325 82.584 1.00 41.37 O +ATOM 2795 N GLU B 224 6.982 74.036 79.116 1.00 47.45 N +ATOM 2796 CA GLU B 224 5.749 74.462 78.528 1.00 50.01 C +ATOM 2797 C GLU B 224 4.899 73.389 77.877 1.00 49.74 C +ATOM 2798 O GLU B 224 3.683 73.482 78.043 1.00 50.94 O +ATOM 2799 CB GLU B 224 6.002 75.570 77.468 1.00 51.00 C +ATOM 2800 CG GLU B 224 4.709 75.970 76.771 1.00 53.07 C +ATOM 2801 CD GLU B 224 3.604 76.394 77.734 1.00 55.12 C +ATOM 2802 OE1 GLU B 224 3.881 77.003 78.794 1.00 54.29 O +ATOM 2803 OE2 GLU B 224 2.412 76.110 77.451 1.00 57.21 O +ATOM 2804 N TYR B 225 5.375 72.470 77.071 1.00 49.27 N +ATOM 2805 CA TYR B 225 4.591 71.398 76.478 1.00 49.44 C +ATOM 2806 C TYR B 225 4.800 70.089 77.251 1.00 49.46 C +ATOM 2807 O TYR B 225 4.297 69.017 76.920 1.00 47.03 O +ATOM 2808 CB TYR B 225 4.994 71.152 75.015 1.00 50.40 C +ATOM 2809 CG TYR B 225 4.665 72.459 74.321 1.00 52.92 C +ATOM 2810 CD1 TYR B 225 5.647 73.393 74.048 1.00 54.25 C +ATOM 2811 CD2 TYR B 225 3.332 72.760 74.030 1.00 53.39 C +ATOM 2812 CE1 TYR B 225 5.301 74.597 73.446 1.00 54.78 C +ATOM 2813 CE2 TYR B 225 2.994 73.953 73.452 1.00 53.26 C +ATOM 2814 CZ TYR B 225 3.983 74.853 73.159 1.00 54.34 C +ATOM 2815 OH TYR B 225 3.633 76.037 72.543 1.00 56.79 O +ATOM 2816 N LYS B 226 5.565 70.182 78.350 1.00 49.17 N +ATOM 2817 CA LYS B 226 5.800 68.974 79.114 1.00 51.30 C +ATOM 2818 C LYS B 226 6.497 67.892 78.279 1.00 49.62 C +ATOM 2819 O LYS B 226 5.999 66.758 78.275 1.00 49.30 O +ATOM 2820 CB LYS B 226 4.428 68.450 79.570 1.00 53.25 C +ATOM 2821 CG LYS B 226 3.972 68.535 80.996 1.00 54.59 C +ATOM 2822 CD LYS B 226 3.308 69.816 81.411 1.00 56.81 C +ATOM 2823 CE LYS B 226 1.812 69.874 81.495 1.00 57.99 C +ATOM 2824 NZ LYS B 226 1.044 69.570 80.253 1.00 58.77 N +ATOM 2825 N LEU B 227 7.613 68.169 77.604 1.00 46.47 N +ATOM 2826 CA LEU B 227 8.337 67.219 76.784 1.00 43.15 C +ATOM 2827 C LEU B 227 9.333 66.432 77.614 1.00 42.46 C +ATOM 2828 O LEU B 227 9.748 66.885 78.689 1.00 43.27 O +ATOM 2829 CB LEU B 227 9.086 67.955 75.650 1.00 42.26 C +ATOM 2830 CG LEU B 227 8.226 68.839 74.750 1.00 41.77 C +ATOM 2831 CD1 LEU B 227 8.933 69.383 73.509 1.00 41.92 C +ATOM 2832 CD2 LEU B 227 6.971 68.069 74.348 1.00 39.70 C +ATOM 2833 N GLN B 228 9.778 65.259 77.209 1.00 39.43 N +ATOM 2834 CA GLN B 228 10.756 64.497 77.961 1.00 35.93 C +ATOM 2835 C GLN B 228 12.062 65.241 78.024 1.00 36.43 C +ATOM 2836 O GLN B 228 12.481 65.987 77.125 1.00 38.29 O +ATOM 2837 CB GLN B 228 10.918 63.175 77.169 1.00 36.27 C +ATOM 2838 CG GLN B 228 9.562 62.450 77.146 1.00 36.54 C +ATOM 2839 CD GLN B 228 9.312 61.938 78.564 1.00 36.12 C +ATOM 2840 OE1 GLN B 228 10.221 61.539 79.282 1.00 36.22 O +ATOM 2841 NE2 GLN B 228 8.123 61.906 79.095 1.00 35.66 N +ATOM 2842 N ASN B 229 12.927 64.980 78.989 1.00 37.06 N +ATOM 2843 CA ASN B 229 14.220 65.683 79.021 1.00 37.12 C +ATOM 2844 C ASN B 229 15.145 65.212 77.905 1.00 35.36 C +ATOM 2845 O ASN B 229 16.108 65.835 77.490 1.00 33.63 O +ATOM 2846 CB ASN B 229 14.844 65.558 80.396 1.00 38.54 C +ATOM 2847 CG ASN B 229 14.323 66.504 81.461 1.00 41.08 C +ATOM 2848 OD1 ASN B 229 13.984 67.673 81.192 1.00 42.72 O +ATOM 2849 ND2 ASN B 229 14.314 66.002 82.710 1.00 39.67 N +ATOM 2850 N GLU B 230 14.887 64.015 77.416 1.00 33.69 N +ATOM 2851 CA GLU B 230 15.558 63.273 76.377 1.00 30.03 C +ATOM 2852 C GLU B 230 15.435 64.018 75.051 1.00 30.17 C +ATOM 2853 O GLU B 230 16.360 64.154 74.258 1.00 30.09 O +ATOM 2854 CB GLU B 230 14.894 61.915 76.307 1.00 25.28 C +ATOM 2855 CG GLU B 230 15.536 60.890 75.432 1.00 28.14 C +ATOM 2856 CD GLU B 230 17.024 60.910 75.202 1.00 28.00 C +ATOM 2857 OE1 GLU B 230 17.810 61.394 76.046 1.00 29.32 O +ATOM 2858 OE2 GLU B 230 17.508 60.495 74.134 1.00 28.21 O +ATOM 2859 N THR B 231 14.205 64.521 74.882 1.00 31.32 N +ATOM 2860 CA THR B 231 13.787 65.345 73.774 1.00 29.44 C +ATOM 2861 C THR B 231 14.611 66.638 73.761 1.00 27.85 C +ATOM 2862 O THR B 231 15.150 66.925 72.716 1.00 26.40 O +ATOM 2863 CB THR B 231 12.305 65.713 73.807 1.00 29.53 C +ATOM 2864 OG1 THR B 231 11.489 64.572 74.050 1.00 29.99 O +ATOM 2865 CG2 THR B 231 11.814 66.206 72.439 1.00 27.45 C +ATOM 2866 N LEU B 232 14.743 67.308 74.884 1.00 28.40 N +ATOM 2867 CA LEU B 232 15.552 68.534 74.875 1.00 30.35 C +ATOM 2868 C LEU B 232 16.971 68.152 74.502 1.00 31.10 C +ATOM 2869 O LEU B 232 17.552 68.697 73.550 1.00 32.69 O +ATOM 2870 CB LEU B 232 15.252 69.225 76.164 1.00 31.18 C +ATOM 2871 CG LEU B 232 15.993 70.479 76.599 1.00 32.65 C +ATOM 2872 CD1 LEU B 232 17.189 69.947 77.388 1.00 33.73 C +ATOM 2873 CD2 LEU B 232 16.544 71.439 75.560 1.00 28.78 C +ATOM 2874 N HIS B 233 17.520 67.106 75.095 1.00 30.41 N +ATOM 2875 CA HIS B 233 18.794 66.536 74.747 1.00 29.48 C +ATOM 2876 C HIS B 233 18.820 66.112 73.282 1.00 29.07 C +ATOM 2877 O HIS B 233 19.874 66.481 72.784 1.00 30.37 O +ATOM 2878 CB HIS B 233 19.206 65.356 75.612 1.00 29.21 C +ATOM 2879 CG HIS B 233 19.817 65.643 76.936 1.00 29.11 C +ATOM 2880 ND1 HIS B 233 19.053 65.927 78.047 1.00 29.36 N +ATOM 2881 CD2 HIS B 233 21.096 65.670 77.350 1.00 28.81 C +ATOM 2882 CE1 HIS B 233 19.828 66.145 79.097 1.00 28.71 C +ATOM 2883 NE2 HIS B 233 21.062 65.979 78.689 1.00 30.36 N +ATOM 2884 N LEU B 234 17.939 65.403 72.585 1.00 28.49 N +ATOM 2885 CA LEU B 234 18.166 65.201 71.155 1.00 26.37 C +ATOM 2886 C LEU B 234 18.166 66.459 70.340 1.00 27.07 C +ATOM 2887 O LEU B 234 19.012 66.706 69.493 1.00 27.23 O +ATOM 2888 CB LEU B 234 16.994 64.362 70.655 1.00 23.26 C +ATOM 2889 CG LEU B 234 17.162 62.940 71.197 1.00 20.21 C +ATOM 2890 CD1 LEU B 234 15.839 62.244 70.994 1.00 16.29 C +ATOM 2891 CD2 LEU B 234 18.412 62.353 70.539 1.00 20.43 C +ATOM 2892 N ALA B 235 17.146 67.288 70.551 1.00 30.19 N +ATOM 2893 CA ALA B 235 17.031 68.621 69.943 1.00 30.56 C +ATOM 2894 C ALA B 235 18.351 69.383 69.912 1.00 30.90 C +ATOM 2895 O ALA B 235 18.733 69.977 68.898 1.00 31.08 O +ATOM 2896 CB ALA B 235 16.039 69.440 70.765 1.00 30.74 C +ATOM 2897 N VAL B 236 19.110 69.442 71.001 1.00 30.22 N +ATOM 2898 CA VAL B 236 20.394 70.070 71.142 1.00 29.49 C +ATOM 2899 C VAL B 236 21.427 69.416 70.223 1.00 31.79 C +ATOM 2900 O VAL B 236 22.170 70.056 69.452 1.00 33.20 O +ATOM 2901 CB VAL B 236 20.903 70.066 72.605 1.00 28.97 C +ATOM 2902 CG1 VAL B 236 22.195 70.890 72.679 1.00 26.18 C +ATOM 2903 CG2 VAL B 236 19.916 70.644 73.637 1.00 26.84 C +ATOM 2904 N ASN B 237 21.500 68.092 70.248 1.00 29.92 N +ATOM 2905 CA ASN B 237 22.369 67.273 69.446 1.00 29.19 C +ATOM 2906 C ASN B 237 22.170 67.611 67.971 1.00 30.98 C +ATOM 2907 O ASN B 237 23.147 67.663 67.218 1.00 32.88 O +ATOM 2908 CB ASN B 237 22.074 65.765 69.647 1.00 28.13 C +ATOM 2909 CG ASN B 237 23.010 64.930 68.781 1.00 27.32 C +ATOM 2910 OD1 ASN B 237 22.659 64.456 67.703 1.00 27.61 O +ATOM 2911 ND2 ASN B 237 24.266 64.785 69.207 1.00 26.45 N +ATOM 2912 N TYR B 238 20.941 67.747 67.510 1.00 32.32 N +ATOM 2913 CA TYR B 238 20.658 68.170 66.153 1.00 35.09 C +ATOM 2914 C TYR B 238 21.144 69.585 65.845 1.00 35.17 C +ATOM 2915 O TYR B 238 21.560 69.790 64.722 1.00 36.15 O +ATOM 2916 CB TYR B 238 19.155 68.254 65.789 1.00 33.06 C +ATOM 2917 CG TYR B 238 18.461 66.936 66.079 1.00 32.37 C +ATOM 2918 CD1 TYR B 238 19.211 65.792 66.322 1.00 31.65 C +ATOM 2919 CD2 TYR B 238 17.084 66.826 66.087 1.00 29.88 C +ATOM 2920 CE1 TYR B 238 18.613 64.592 66.611 1.00 31.43 C +ATOM 2921 CE2 TYR B 238 16.473 65.623 66.369 1.00 28.62 C +ATOM 2922 CZ TYR B 238 17.237 64.523 66.628 1.00 30.60 C +ATOM 2923 OH TYR B 238 16.651 63.307 66.910 1.00 30.75 O +ATOM 2924 N ILE B 239 21.040 70.490 66.809 1.00 35.89 N +ATOM 2925 CA ILE B 239 21.370 71.908 66.562 1.00 34.97 C +ATOM 2926 C ILE B 239 22.859 71.983 66.420 1.00 36.35 C +ATOM 2927 O ILE B 239 23.418 72.578 65.495 1.00 37.67 O +ATOM 2928 CB ILE B 239 20.761 72.694 67.733 1.00 35.17 C +ATOM 2929 CG1 ILE B 239 19.226 72.751 67.595 1.00 33.94 C +ATOM 2930 CG2 ILE B 239 21.350 74.066 67.893 1.00 35.51 C +ATOM 2931 CD1 ILE B 239 18.459 72.960 68.868 1.00 33.50 C +ATOM 2932 N ASP B 240 23.559 71.224 67.293 1.00 36.80 N +ATOM 2933 CA ASP B 240 25.016 71.247 67.211 1.00 36.54 C +ATOM 2934 C ASP B 240 25.555 70.632 65.939 1.00 37.38 C +ATOM 2935 O ASP B 240 26.471 71.242 65.378 1.00 38.32 O +ATOM 2936 CB ASP B 240 25.609 70.677 68.481 1.00 36.76 C +ATOM 2937 CG ASP B 240 25.436 71.633 69.671 1.00 35.38 C +ATOM 2938 OD1 ASP B 240 25.243 72.826 69.352 1.00 33.05 O +ATOM 2939 OD2 ASP B 240 25.507 71.102 70.803 1.00 33.34 O +ATOM 2940 N ARG B 241 25.016 69.530 65.432 1.00 36.09 N +ATOM 2941 CA ARG B 241 25.437 68.857 64.241 1.00 35.26 C +ATOM 2942 C ARG B 241 24.988 69.630 63.011 1.00 36.80 C +ATOM 2943 O ARG B 241 25.610 69.494 61.956 1.00 40.44 O +ATOM 2944 CB ARG B 241 24.804 67.461 64.086 1.00 35.33 C +ATOM 2945 CG ARG B 241 25.266 66.383 65.040 1.00 36.48 C +ATOM 2946 CD ARG B 241 24.233 65.301 65.369 1.00 36.35 C +ATOM 2947 NE ARG B 241 23.973 64.463 64.202 1.00 35.33 N +ATOM 2948 CZ ARG B 241 22.970 63.611 64.082 1.00 34.70 C +ATOM 2949 NH1 ARG B 241 22.136 63.412 65.096 1.00 34.42 N +ATOM 2950 NH2 ARG B 241 22.861 62.965 62.936 1.00 33.45 N +ATOM 2951 N PHE B 242 23.874 70.345 63.094 1.00 35.62 N +ATOM 2952 CA PHE B 242 23.453 71.142 61.954 1.00 34.04 C +ATOM 2953 C PHE B 242 24.442 72.301 61.780 1.00 33.32 C +ATOM 2954 O PHE B 242 24.874 72.463 60.656 1.00 32.65 O +ATOM 2955 CB PHE B 242 21.994 71.585 62.034 1.00 30.05 C +ATOM 2956 CG PHE B 242 21.488 72.391 60.869 1.00 28.95 C +ATOM 2957 CD1 PHE B 242 20.771 71.810 59.824 1.00 28.32 C +ATOM 2958 CD2 PHE B 242 21.723 73.770 60.803 1.00 28.54 C +ATOM 2959 CE1 PHE B 242 20.266 72.543 58.768 1.00 26.83 C +ATOM 2960 CE2 PHE B 242 21.226 74.538 59.772 1.00 26.59 C +ATOM 2961 CZ PHE B 242 20.526 73.915 58.744 1.00 27.80 C +ATOM 2962 N LEU B 243 24.845 73.034 62.784 1.00 33.50 N +ATOM 2963 CA LEU B 243 25.697 74.192 62.810 1.00 34.88 C +ATOM 2964 C LEU B 243 27.179 73.864 62.684 1.00 35.60 C +ATOM 2965 O LEU B 243 28.100 74.659 62.479 1.00 36.47 O +ATOM 2966 CB LEU B 243 25.543 75.012 64.110 1.00 33.61 C +ATOM 2967 CG LEU B 243 24.179 75.522 64.576 1.00 31.36 C +ATOM 2968 CD1 LEU B 243 24.225 76.213 65.946 1.00 29.61 C +ATOM 2969 CD2 LEU B 243 23.603 76.491 63.551 1.00 30.01 C +ATOM 2970 N SER B 244 27.443 72.566 62.730 1.00 35.90 N +ATOM 2971 CA SER B 244 28.771 72.000 62.565 1.00 35.28 C +ATOM 2972 C SER B 244 29.236 72.107 61.124 1.00 36.11 C +ATOM 2973 O SER B 244 30.372 71.944 60.710 1.00 35.97 O +ATOM 2974 CB SER B 244 28.731 70.519 62.933 1.00 33.98 C +ATOM 2975 OG SER B 244 29.430 70.338 64.144 1.00 32.54 O +ATOM 2976 N SER B 245 28.238 72.261 60.259 1.00 37.67 N +ATOM 2977 CA SER B 245 28.419 72.406 58.837 1.00 37.69 C +ATOM 2978 C SER B 245 27.466 73.399 58.207 1.00 38.07 C +ATOM 2979 O SER B 245 27.817 73.853 57.112 1.00 40.12 O +ATOM 2980 CB SER B 245 28.490 71.017 58.252 1.00 37.37 C +ATOM 2981 OG SER B 245 27.238 70.519 57.890 1.00 40.32 O +ATOM 2982 N MET B 246 26.388 73.926 58.740 1.00 37.64 N +ATOM 2983 CA MET B 246 25.592 74.939 58.054 1.00 36.76 C +ATOM 2984 C MET B 246 25.846 76.285 58.727 1.00 39.57 C +ATOM 2985 O MET B 246 25.712 76.427 59.959 1.00 41.45 O +ATOM 2986 CB MET B 246 24.133 74.552 58.078 1.00 32.57 C +ATOM 2987 CG MET B 246 23.924 73.154 57.506 1.00 31.08 C +ATOM 2988 SD MET B 246 24.176 73.064 55.726 1.00 27.41 S +ATOM 2989 CE MET B 246 22.970 74.236 55.126 1.00 22.78 C +ATOM 2990 N SER B 247 26.190 77.278 57.916 1.00 39.13 N +ATOM 2991 CA SER B 247 26.526 78.593 58.504 1.00 38.06 C +ATOM 2992 C SER B 247 25.251 79.326 58.777 1.00 35.52 C +ATOM 2993 O SER B 247 24.356 79.194 57.921 1.00 34.85 O +ATOM 2994 CB SER B 247 27.507 79.212 57.505 1.00 38.03 C +ATOM 2995 OG SER B 247 27.684 80.587 57.708 1.00 40.72 O +ATOM 2996 N VAL B 248 25.031 79.963 59.929 1.00 36.00 N +ATOM 2997 CA VAL B 248 23.683 80.531 60.118 1.00 38.38 C +ATOM 2998 C VAL B 248 23.606 81.944 60.605 1.00 39.16 C +ATOM 2999 O VAL B 248 24.166 82.204 61.652 1.00 40.71 O +ATOM 3000 CB VAL B 248 22.856 79.633 61.081 1.00 38.38 C +ATOM 3001 CG1 VAL B 248 21.609 80.275 61.694 1.00 37.64 C +ATOM 3002 CG2 VAL B 248 22.356 78.386 60.321 1.00 35.67 C +ATOM 3003 N LEU B 249 22.834 82.809 59.966 1.00 41.12 N +ATOM 3004 CA LEU B 249 22.683 84.156 60.535 1.00 43.26 C +ATOM 3005 C LEU B 249 21.924 84.044 61.866 1.00 45.16 C +ATOM 3006 O LEU B 249 20.967 83.292 62.097 1.00 44.53 O +ATOM 3007 CB LEU B 249 21.973 85.054 59.551 1.00 43.15 C +ATOM 3008 CG LEU B 249 22.563 85.333 58.165 1.00 44.17 C +ATOM 3009 CD1 LEU B 249 21.643 86.287 57.411 1.00 44.88 C +ATOM 3010 CD2 LEU B 249 23.967 85.905 58.119 1.00 42.90 C +ATOM 3011 N ARG B 250 22.237 84.953 62.791 1.00 45.79 N +ATOM 3012 CA ARG B 250 21.587 85.027 64.076 1.00 45.83 C +ATOM 3013 C ARG B 250 20.104 85.263 63.984 1.00 45.93 C +ATOM 3014 O ARG B 250 19.439 84.881 64.964 1.00 47.81 O +ATOM 3015 CB ARG B 250 22.261 86.056 64.946 1.00 46.06 C +ATOM 3016 CG ARG B 250 21.824 87.469 64.685 1.00 48.01 C +ATOM 3017 CD ARG B 250 22.639 88.471 65.482 1.00 50.06 C +ATOM 3018 NE ARG B 250 24.037 88.407 65.075 1.00 51.14 N +ATOM 3019 CZ ARG B 250 24.877 89.410 65.339 1.00 51.21 C +ATOM 3020 NH1 ARG B 250 24.330 90.441 65.988 1.00 51.59 N +ATOM 3021 NH2 ARG B 250 26.152 89.340 64.984 1.00 49.52 N +ATOM 3022 N GLY B 251 19.437 85.733 62.947 1.00 45.11 N +ATOM 3023 CA GLY B 251 17.968 85.806 63.081 1.00 43.53 C +ATOM 3024 C GLY B 251 17.412 84.441 62.738 1.00 43.97 C +ATOM 3025 O GLY B 251 16.193 84.300 62.819 1.00 45.28 O +ATOM 3026 N LYS B 252 18.236 83.489 62.307 1.00 43.20 N +ATOM 3027 CA LYS B 252 17.694 82.200 61.884 1.00 43.37 C +ATOM 3028 C LYS B 252 17.956 81.087 62.879 1.00 43.46 C +ATOM 3029 O LYS B 252 17.298 80.046 62.894 1.00 44.43 O +ATOM 3030 CB LYS B 252 18.199 81.947 60.457 1.00 42.17 C +ATOM 3031 CG LYS B 252 17.527 82.899 59.472 1.00 39.55 C +ATOM 3032 CD LYS B 252 15.998 82.651 59.565 1.00 39.64 C +ATOM 3033 CE LYS B 252 15.409 82.994 58.183 1.00 36.68 C +ATOM 3034 NZ LYS B 252 16.170 84.224 57.790 1.00 35.79 N +ATOM 3035 N LEU B 253 18.827 81.350 63.847 1.00 42.19 N +ATOM 3036 CA LEU B 253 19.220 80.391 64.852 1.00 42.10 C +ATOM 3037 C LEU B 253 18.041 79.781 65.593 1.00 42.09 C +ATOM 3038 O LEU B 253 17.955 78.568 65.820 1.00 41.50 O +ATOM 3039 CB LEU B 253 20.259 80.988 65.814 1.00 42.06 C +ATOM 3040 CG LEU B 253 20.717 80.049 66.933 1.00 41.13 C +ATOM 3041 CD1 LEU B 253 21.281 78.763 66.335 1.00 39.43 C +ATOM 3042 CD2 LEU B 253 21.756 80.682 67.848 1.00 39.98 C +ATOM 3043 N GLN B 254 17.047 80.599 65.956 1.00 41.05 N +ATOM 3044 CA GLN B 254 15.853 80.059 66.589 1.00 38.82 C +ATOM 3045 C GLN B 254 15.159 79.043 65.698 1.00 36.27 C +ATOM 3046 O GLN B 254 14.670 78.006 66.065 1.00 37.00 O +ATOM 3047 CB GLN B 254 14.907 81.221 66.840 1.00 39.20 C +ATOM 3048 CG GLN B 254 13.683 80.806 67.613 1.00 40.43 C +ATOM 3049 CD GLN B 254 13.150 81.896 68.510 1.00 41.40 C +ATOM 3050 OE1 GLN B 254 12.493 81.525 69.492 1.00 43.91 O +ATOM 3051 NE2 GLN B 254 13.382 83.144 68.172 1.00 40.57 N +ATOM 3052 N LEU B 255 15.057 79.370 64.437 1.00 34.51 N +ATOM 3053 CA LEU B 255 14.426 78.617 63.397 1.00 33.98 C +ATOM 3054 C LEU B 255 15.063 77.241 63.285 1.00 34.40 C +ATOM 3055 O LEU B 255 14.348 76.231 63.349 1.00 34.11 O +ATOM 3056 CB LEU B 255 14.452 79.414 62.093 1.00 32.27 C +ATOM 3057 CG LEU B 255 13.677 78.628 61.019 1.00 32.58 C +ATOM 3058 CD1 LEU B 255 12.216 78.484 61.486 1.00 31.93 C +ATOM 3059 CD2 LEU B 255 13.849 79.285 59.654 1.00 30.85 C +ATOM 3060 N VAL B 256 16.392 77.224 63.251 1.00 32.51 N +ATOM 3061 CA VAL B 256 17.069 75.923 63.357 1.00 31.58 C +ATOM 3062 C VAL B 256 16.609 75.235 64.639 1.00 31.59 C +ATOM 3063 O VAL B 256 16.105 74.109 64.606 1.00 32.72 O +ATOM 3064 CB VAL B 256 18.556 76.272 63.302 1.00 30.92 C +ATOM 3065 CG1 VAL B 256 19.442 75.089 63.632 1.00 30.50 C +ATOM 3066 CG2 VAL B 256 18.854 76.837 61.933 1.00 29.63 C +ATOM 3067 N GLY B 257 16.661 75.869 65.791 1.00 31.44 N +ATOM 3068 CA GLY B 257 16.188 75.467 67.087 1.00 31.22 C +ATOM 3069 C GLY B 257 14.727 75.072 67.088 1.00 33.23 C +ATOM 3070 O GLY B 257 14.541 73.999 67.701 1.00 36.60 O +ATOM 3071 N THR B 258 13.755 75.696 66.460 1.00 31.04 N +ATOM 3072 CA THR B 258 12.394 75.131 66.461 1.00 32.87 C +ATOM 3073 C THR B 258 12.266 73.831 65.682 1.00 35.30 C +ATOM 3074 O THR B 258 11.533 72.884 65.985 1.00 36.10 O +ATOM 3075 CB THR B 258 11.447 76.233 65.869 1.00 32.03 C +ATOM 3076 OG1 THR B 258 11.747 77.420 66.657 1.00 30.97 O +ATOM 3077 CG2 THR B 258 9.970 75.893 65.891 1.00 27.31 C +ATOM 3078 N ALA B 259 12.935 73.718 64.520 1.00 35.74 N +ATOM 3079 CA ALA B 259 12.890 72.579 63.622 1.00 33.34 C +ATOM 3080 C ALA B 259 13.534 71.376 64.301 1.00 34.19 C +ATOM 3081 O ALA B 259 12.998 70.287 64.508 1.00 34.72 O +ATOM 3082 CB ALA B 259 13.562 72.930 62.308 1.00 30.66 C +ATOM 3083 N ALA B 260 14.748 71.556 64.833 1.00 34.13 N +ATOM 3084 CA ALA B 260 15.361 70.479 65.589 1.00 32.65 C +ATOM 3085 C ALA B 260 14.362 70.103 66.660 1.00 32.79 C +ATOM 3086 O ALA B 260 14.005 68.944 66.780 1.00 34.09 O +ATOM 3087 CB ALA B 260 16.651 70.902 66.224 1.00 33.60 C +ATOM 3088 N MET B 261 13.723 71.044 67.352 1.00 34.54 N +ATOM 3089 CA MET B 261 12.800 70.676 68.403 1.00 35.22 C +ATOM 3090 C MET B 261 11.558 69.980 67.895 1.00 36.53 C +ATOM 3091 O MET B 261 11.122 69.147 68.697 1.00 36.86 O +ATOM 3092 CB MET B 261 12.418 71.750 69.405 1.00 34.95 C +ATOM 3093 CG MET B 261 11.849 71.237 70.722 1.00 32.92 C +ATOM 3094 SD MET B 261 13.125 70.920 71.927 1.00 33.73 S +ATOM 3095 CE MET B 261 12.260 70.062 73.221 1.00 33.68 C +ATOM 3096 N LEU B 262 11.069 70.225 66.695 1.00 38.76 N +ATOM 3097 CA LEU B 262 9.885 69.468 66.250 1.00 39.70 C +ATOM 3098 C LEU B 262 10.327 68.058 65.923 1.00 37.66 C +ATOM 3099 O LEU B 262 9.629 67.105 66.248 1.00 37.39 O +ATOM 3100 CB LEU B 262 9.285 70.218 65.086 1.00 43.08 C +ATOM 3101 CG LEU B 262 8.402 69.592 64.016 1.00 43.60 C +ATOM 3102 CD1 LEU B 262 7.005 69.367 64.580 1.00 44.72 C +ATOM 3103 CD2 LEU B 262 8.339 70.491 62.794 1.00 44.47 C +ATOM 3104 N LEU B 263 11.506 67.952 65.308 1.00 36.08 N +ATOM 3105 CA LEU B 263 12.059 66.647 64.924 1.00 33.42 C +ATOM 3106 C LEU B 263 12.269 65.790 66.149 1.00 30.51 C +ATOM 3107 O LEU B 263 11.905 64.634 66.237 1.00 27.53 O +ATOM 3108 CB LEU B 263 13.401 66.817 64.172 1.00 33.21 C +ATOM 3109 CG LEU B 263 13.191 67.251 62.685 1.00 33.68 C +ATOM 3110 CD1 LEU B 263 14.484 67.397 61.890 1.00 31.58 C +ATOM 3111 CD2 LEU B 263 12.262 66.235 62.037 1.00 32.47 C +ATOM 3112 N ALA B 264 12.971 66.348 67.153 1.00 29.63 N +ATOM 3113 CA ALA B 264 13.228 65.526 68.338 1.00 29.26 C +ATOM 3114 C ALA B 264 11.914 65.054 68.945 1.00 30.12 C +ATOM 3115 O ALA B 264 11.861 63.936 69.426 1.00 30.25 O +ATOM 3116 CB ALA B 264 14.101 66.257 69.325 1.00 29.40 C +ATOM 3117 N SER B 265 10.861 65.869 68.989 1.00 29.71 N +ATOM 3118 CA SER B 265 9.582 65.573 69.536 1.00 31.06 C +ATOM 3119 C SER B 265 8.868 64.515 68.689 1.00 32.35 C +ATOM 3120 O SER B 265 8.220 63.567 69.154 1.00 32.55 O +ATOM 3121 CB SER B 265 8.759 66.871 69.519 1.00 32.24 C +ATOM 3122 OG SER B 265 9.268 67.869 70.386 1.00 33.72 O +ATOM 3123 N LYS B 266 8.962 64.746 67.373 1.00 30.70 N +ATOM 3124 CA LYS B 266 8.389 63.818 66.435 1.00 31.50 C +ATOM 3125 C LYS B 266 9.173 62.536 66.670 1.00 29.81 C +ATOM 3126 O LYS B 266 8.417 61.546 66.675 1.00 34.06 O +ATOM 3127 CB LYS B 266 8.330 64.160 64.955 1.00 33.26 C +ATOM 3128 CG LYS B 266 7.804 65.502 64.488 1.00 32.44 C +ATOM 3129 CD LYS B 266 7.671 65.596 62.990 1.00 32.24 C +ATOM 3130 CE LYS B 266 6.623 66.598 62.532 1.00 32.42 C +ATOM 3131 NZ LYS B 266 6.797 66.819 61.056 1.00 35.49 N +ATOM 3132 N PHE B 267 10.443 62.435 66.960 1.00 26.24 N +ATOM 3133 CA PHE B 267 11.087 61.164 67.204 1.00 25.05 C +ATOM 3134 C PHE B 267 10.819 60.606 68.595 1.00 25.79 C +ATOM 3135 O PHE B 267 10.552 59.397 68.725 1.00 26.88 O +ATOM 3136 CB PHE B 267 12.619 61.273 66.969 1.00 25.67 C +ATOM 3137 CG PHE B 267 13.478 60.067 67.141 1.00 23.73 C +ATOM 3138 CD1 PHE B 267 13.844 59.339 66.041 1.00 24.78 C +ATOM 3139 CD2 PHE B 267 13.963 59.643 68.373 1.00 25.28 C +ATOM 3140 CE1 PHE B 267 14.629 58.180 66.156 1.00 26.09 C +ATOM 3141 CE2 PHE B 267 14.771 58.527 68.541 1.00 24.19 C +ATOM 3142 CZ PHE B 267 15.079 57.783 67.413 1.00 26.80 C +ATOM 3143 N GLU B 268 10.872 61.354 69.684 1.00 24.29 N +ATOM 3144 CA GLU B 268 10.712 60.676 70.959 1.00 27.02 C +ATOM 3145 C GLU B 268 9.408 60.671 71.720 1.00 27.26 C +ATOM 3146 O GLU B 268 9.160 59.902 72.651 1.00 25.79 O +ATOM 3147 CB GLU B 268 11.793 61.438 71.749 1.00 24.35 C +ATOM 3148 CG GLU B 268 12.008 60.901 73.120 1.00 24.59 C +ATOM 3149 CD GLU B 268 12.712 59.566 73.141 1.00 26.95 C +ATOM 3150 OE1 GLU B 268 13.593 59.362 72.257 1.00 26.79 O +ATOM 3151 OE2 GLU B 268 12.391 58.775 74.075 1.00 26.98 O +ATOM 3152 N GLU B 269 8.518 61.632 71.453 1.00 29.94 N +ATOM 3153 CA GLU B 269 7.340 61.771 72.308 1.00 31.36 C +ATOM 3154 C GLU B 269 6.127 60.951 71.918 1.00 31.78 C +ATOM 3155 O GLU B 269 5.787 60.909 70.747 1.00 33.29 O +ATOM 3156 CB GLU B 269 6.811 63.202 72.288 1.00 29.64 C +ATOM 3157 CG GLU B 269 7.699 64.252 72.875 1.00 30.00 C +ATOM 3158 CD GLU B 269 7.672 64.214 74.390 1.00 32.82 C +ATOM 3159 OE1 GLU B 269 6.542 63.952 74.945 1.00 35.48 O +ATOM 3160 OE2 GLU B 269 8.793 64.462 74.896 1.00 29.71 O +ATOM 3161 N ILE B 270 5.410 60.481 72.926 1.00 31.92 N +ATOM 3162 CA ILE B 270 4.131 59.877 72.658 1.00 33.42 C +ATOM 3163 C ILE B 270 3.287 60.923 71.912 1.00 32.04 C +ATOM 3164 O ILE B 270 2.769 60.594 70.863 1.00 30.12 O +ATOM 3165 CB ILE B 270 3.329 59.422 73.891 1.00 33.88 C +ATOM 3166 CG1 ILE B 270 4.162 58.578 74.829 1.00 35.04 C +ATOM 3167 CG2 ILE B 270 2.110 58.661 73.373 1.00 32.92 C +ATOM 3168 CD1 ILE B 270 3.485 58.059 76.076 1.00 36.08 C +ATOM 3169 N TYR B 271 3.091 62.125 72.428 1.00 33.77 N +ATOM 3170 CA TYR B 271 2.231 63.066 71.701 1.00 36.15 C +ATOM 3171 C TYR B 271 2.978 64.371 71.420 1.00 37.10 C +ATOM 3172 O TYR B 271 3.048 65.363 72.125 1.00 34.52 O +ATOM 3173 CB TYR B 271 0.930 63.362 72.418 1.00 37.10 C +ATOM 3174 CG TYR B 271 0.143 62.215 73.003 1.00 37.93 C +ATOM 3175 CD1 TYR B 271 -0.853 61.526 72.356 1.00 37.93 C +ATOM 3176 CD2 TYR B 271 0.418 61.848 74.318 1.00 40.51 C +ATOM 3177 CE1 TYR B 271 -1.560 60.507 72.964 1.00 40.41 C +ATOM 3178 CE2 TYR B 271 -0.276 60.831 74.952 1.00 42.23 C +ATOM 3179 CZ TYR B 271 -1.263 60.158 74.261 1.00 42.44 C +ATOM 3180 OH TYR B 271 -1.955 59.103 74.853 1.00 45.50 O +ATOM 3181 N PRO B 272 3.649 64.339 70.263 1.00 38.41 N +ATOM 3182 CA PRO B 272 4.349 65.507 69.786 1.00 39.17 C +ATOM 3183 C PRO B 272 3.460 66.756 69.740 1.00 39.16 C +ATOM 3184 O PRO B 272 2.353 66.767 69.191 1.00 39.66 O +ATOM 3185 CB PRO B 272 4.720 65.140 68.354 1.00 38.04 C +ATOM 3186 CG PRO B 272 4.647 63.675 68.315 1.00 37.99 C +ATOM 3187 CD PRO B 272 3.600 63.240 69.278 1.00 36.74 C +ATOM 3188 N PRO B 273 3.993 67.851 70.260 1.00 38.24 N +ATOM 3189 CA PRO B 273 3.313 69.123 70.148 1.00 40.20 C +ATOM 3190 C PRO B 273 3.048 69.349 68.668 1.00 41.53 C +ATOM 3191 O PRO B 273 3.820 68.864 67.827 1.00 42.11 O +ATOM 3192 CB PRO B 273 4.306 70.091 70.731 1.00 40.60 C +ATOM 3193 CG PRO B 273 5.169 69.249 71.624 1.00 39.55 C +ATOM 3194 CD PRO B 273 5.293 67.944 70.933 1.00 37.35 C +ATOM 3195 N GLU B 274 2.028 70.124 68.304 1.00 43.50 N +ATOM 3196 CA GLU B 274 1.827 70.246 66.843 1.00 45.87 C +ATOM 3197 C GLU B 274 2.503 71.479 66.307 1.00 43.90 C +ATOM 3198 O GLU B 274 2.975 72.393 66.975 1.00 44.90 O +ATOM 3199 CB GLU B 274 0.390 69.850 66.657 1.00 49.05 C +ATOM 3200 CG GLU B 274 -0.633 70.843 66.193 1.00 54.90 C +ATOM 3201 CD GLU B 274 -1.802 70.936 67.157 1.00 58.59 C +ATOM 3202 OE1 GLU B 274 -2.054 69.865 67.777 1.00 61.37 O +ATOM 3203 OE2 GLU B 274 -2.410 72.026 67.271 1.00 58.27 O +ATOM 3204 N VAL B 275 2.780 71.496 65.015 1.00 42.86 N +ATOM 3205 CA VAL B 275 3.507 72.500 64.241 1.00 42.65 C +ATOM 3206 C VAL B 275 2.959 73.878 64.560 1.00 44.27 C +ATOM 3207 O VAL B 275 3.700 74.804 64.865 1.00 44.71 O +ATOM 3208 CB VAL B 275 3.568 72.157 62.745 1.00 41.08 C +ATOM 3209 CG1 VAL B 275 4.286 73.288 62.048 1.00 41.73 C +ATOM 3210 CG2 VAL B 275 4.294 70.823 62.539 1.00 40.71 C +ATOM 3211 N ALA B 276 1.652 74.048 64.726 1.00 44.46 N +ATOM 3212 CA ALA B 276 1.057 75.264 65.230 1.00 44.23 C +ATOM 3213 C ALA B 276 1.769 75.793 66.473 1.00 43.43 C +ATOM 3214 O ALA B 276 2.051 76.964 66.705 1.00 43.18 O +ATOM 3215 CB ALA B 276 -0.351 74.906 65.745 1.00 43.37 C +ATOM 3216 N GLU B 277 1.932 74.865 67.406 1.00 43.50 N +ATOM 3217 CA GLU B 277 2.527 75.138 68.703 1.00 44.13 C +ATOM 3218 C GLU B 277 3.983 75.514 68.482 1.00 45.69 C +ATOM 3219 O GLU B 277 4.386 76.587 69.000 1.00 45.73 O +ATOM 3220 CB GLU B 277 2.238 73.957 69.573 1.00 45.41 C +ATOM 3221 CG GLU B 277 0.892 73.344 69.143 1.00 47.50 C +ATOM 3222 CD GLU B 277 0.324 72.584 70.324 1.00 49.26 C +ATOM 3223 OE1 GLU B 277 -0.354 73.346 71.064 1.00 51.55 O +ATOM 3224 OE2 GLU B 277 0.606 71.379 70.439 1.00 48.35 O +ATOM 3225 N PHE B 278 4.687 74.808 67.575 1.00 44.36 N +ATOM 3226 CA PHE B 278 6.040 75.313 67.346 1.00 45.79 C +ATOM 3227 C PHE B 278 5.974 76.743 66.821 1.00 48.43 C +ATOM 3228 O PHE B 278 6.729 77.663 67.238 1.00 48.89 O +ATOM 3229 CB PHE B 278 6.852 74.307 66.502 1.00 42.12 C +ATOM 3230 CG PHE B 278 7.098 73.156 67.462 1.00 39.65 C +ATOM 3231 CD1 PHE B 278 8.166 73.166 68.338 1.00 39.40 C +ATOM 3232 CD2 PHE B 278 6.196 72.130 67.549 1.00 38.65 C +ATOM 3233 CE1 PHE B 278 8.372 72.147 69.256 1.00 38.21 C +ATOM 3234 CE2 PHE B 278 6.411 71.094 68.458 1.00 39.53 C +ATOM 3235 CZ PHE B 278 7.482 71.069 69.324 1.00 38.29 C +ATOM 3236 N VAL B 279 5.020 77.013 65.922 1.00 49.88 N +ATOM 3237 CA VAL B 279 4.926 78.336 65.341 1.00 51.81 C +ATOM 3238 C VAL B 279 4.475 79.337 66.394 1.00 54.34 C +ATOM 3239 O VAL B 279 5.067 80.417 66.520 1.00 54.18 O +ATOM 3240 CB VAL B 279 4.073 78.317 64.072 1.00 51.35 C +ATOM 3241 CG1 VAL B 279 4.088 79.724 63.483 1.00 51.53 C +ATOM 3242 CG2 VAL B 279 4.524 77.326 63.003 1.00 51.40 C +ATOM 3243 N TYR B 280 3.485 78.960 67.201 1.00 57.07 N +ATOM 3244 CA TYR B 280 3.003 79.842 68.244 1.00 60.54 C +ATOM 3245 C TYR B 280 4.126 80.220 69.196 1.00 61.41 C +ATOM 3246 O TYR B 280 4.365 81.431 69.310 1.00 60.28 O +ATOM 3247 CB TYR B 280 1.875 79.238 69.066 1.00 64.30 C +ATOM 3248 CG TYR B 280 1.364 80.152 70.159 1.00 68.66 C +ATOM 3249 CD1 TYR B 280 0.809 81.385 69.850 1.00 70.66 C +ATOM 3250 CD2 TYR B 280 1.417 79.779 71.495 1.00 71.00 C +ATOM 3251 CE1 TYR B 280 0.347 82.230 70.839 1.00 72.71 C +ATOM 3252 CE2 TYR B 280 0.936 80.601 72.496 1.00 72.40 C +ATOM 3253 CZ TYR B 280 0.406 81.826 72.156 1.00 73.48 C +ATOM 3254 OH TYR B 280 -0.061 82.654 73.165 1.00 75.82 O +ATOM 3255 N ILE B 281 4.835 79.246 69.806 1.00 62.38 N +ATOM 3256 CA ILE B 281 5.872 79.695 70.727 1.00 64.59 C +ATOM 3257 C ILE B 281 7.052 80.389 70.062 1.00 65.84 C +ATOM 3258 O ILE B 281 8.011 80.597 70.819 1.00 65.89 O +ATOM 3259 CB ILE B 281 6.386 78.748 71.822 1.00 63.64 C +ATOM 3260 CG1 ILE B 281 6.514 77.317 71.306 1.00 63.22 C +ATOM 3261 CG2 ILE B 281 5.577 78.796 73.100 1.00 63.07 C +ATOM 3262 CD1 ILE B 281 7.751 77.213 70.429 1.00 62.98 C +ATOM 3263 N THR B 282 7.086 80.864 68.839 1.00 68.77 N +ATOM 3264 CA THR B 282 8.170 81.689 68.333 1.00 71.63 C +ATOM 3265 C THR B 282 7.643 83.113 68.211 1.00 74.69 C +ATOM 3266 O THR B 282 8.249 83.985 67.610 1.00 74.77 O +ATOM 3267 CB THR B 282 8.858 81.140 67.077 1.00 70.80 C +ATOM 3268 OG1 THR B 282 7.936 80.579 66.148 1.00 70.45 O +ATOM 3269 CG2 THR B 282 9.810 80.001 67.436 1.00 69.75 C +ATOM 3270 N ASP B 283 6.526 83.482 68.821 1.00 79.45 N +ATOM 3271 CA ASP B 283 5.739 84.711 68.819 1.00 83.76 C +ATOM 3272 C ASP B 283 5.790 85.286 67.393 1.00 85.03 C +ATOM 3273 O ASP B 283 6.172 86.317 66.885 1.00 85.18 O +ATOM 3274 CB ASP B 283 5.890 85.749 69.901 1.00 85.74 C +ATOM 3275 CG ASP B 283 4.766 86.685 70.307 1.00 87.60 C +ATOM 3276 OD1 ASP B 283 3.936 87.193 69.509 1.00 87.62 O +ATOM 3277 OD2 ASP B 283 4.691 86.998 71.530 1.00 87.11 O +ATOM 3278 N ASP B 284 5.323 84.333 66.590 1.00 85.72 N +ATOM 3279 CA ASP B 284 5.250 84.242 65.160 1.00 85.77 C +ATOM 3280 C ASP B 284 6.419 85.027 64.571 1.00 83.65 C +ATOM 3281 O ASP B 284 6.310 85.926 63.764 1.00 83.43 O +ATOM 3282 CB ASP B 284 3.864 84.551 64.614 1.00 87.83 C +ATOM 3283 CG ASP B 284 2.786 84.243 65.645 1.00 89.32 C +ATOM 3284 OD1 ASP B 284 2.789 83.183 66.296 1.00 89.00 O +ATOM 3285 OD2 ASP B 284 1.939 85.145 65.831 1.00 89.85 O +ATOM 3286 N THR B 285 7.600 84.536 64.977 1.00 80.23 N +ATOM 3287 CA THR B 285 8.879 85.039 64.483 1.00 75.73 C +ATOM 3288 C THR B 285 9.017 84.387 63.108 1.00 71.12 C +ATOM 3289 O THR B 285 9.548 84.988 62.181 1.00 70.17 O +ATOM 3290 CB THR B 285 10.061 84.771 65.417 1.00 75.85 C +ATOM 3291 OG1 THR B 285 9.849 85.447 66.667 1.00 76.17 O +ATOM 3292 CG2 THR B 285 11.367 85.306 64.862 1.00 76.33 C +ATOM 3293 N TYR B 286 8.525 83.146 62.961 1.00 64.38 N +ATOM 3294 CA TYR B 286 8.629 82.445 61.678 1.00 57.13 C +ATOM 3295 C TYR B 286 7.302 81.915 61.171 1.00 54.78 C +ATOM 3296 O TYR B 286 6.398 81.676 61.962 1.00 54.31 O +ATOM 3297 CB TYR B 286 9.628 81.308 61.869 1.00 52.43 C +ATOM 3298 CG TYR B 286 10.986 81.710 62.398 1.00 48.26 C +ATOM 3299 CD1 TYR B 286 11.875 82.491 61.692 1.00 45.42 C +ATOM 3300 CD2 TYR B 286 11.367 81.306 63.674 1.00 47.12 C +ATOM 3301 CE1 TYR B 286 13.103 82.833 62.203 1.00 43.69 C +ATOM 3302 CE2 TYR B 286 12.585 81.641 64.221 1.00 43.91 C +ATOM 3303 CZ TYR B 286 13.448 82.402 63.467 1.00 44.08 C +ATOM 3304 OH TYR B 286 14.671 82.710 64.017 1.00 43.00 O +ATOM 3305 N THR B 287 7.126 81.726 59.863 1.00 52.70 N +ATOM 3306 CA THR B 287 5.888 81.102 59.411 1.00 51.80 C +ATOM 3307 C THR B 287 5.964 79.574 59.554 1.00 49.66 C +ATOM 3308 O THR B 287 6.973 78.931 59.752 1.00 47.70 O +ATOM 3309 CB THR B 287 5.451 81.351 57.958 1.00 51.55 C +ATOM 3310 OG1 THR B 287 6.540 80.957 57.127 1.00 51.80 O +ATOM 3311 CG2 THR B 287 5.012 82.795 57.815 1.00 51.56 C +ATOM 3312 N LYS B 288 4.809 78.966 59.347 1.00 49.88 N +ATOM 3313 CA LYS B 288 4.648 77.516 59.441 1.00 51.33 C +ATOM 3314 C LYS B 288 5.446 76.836 58.335 1.00 50.38 C +ATOM 3315 O LYS B 288 6.179 75.879 58.425 1.00 49.32 O +ATOM 3316 CB LYS B 288 3.167 77.185 59.358 1.00 52.33 C +ATOM 3317 CG LYS B 288 2.921 75.678 59.311 1.00 55.36 C +ATOM 3318 CD LYS B 288 1.462 75.511 58.939 1.00 57.18 C +ATOM 3319 CE LYS B 288 0.908 74.176 59.378 1.00 58.48 C +ATOM 3320 NZ LYS B 288 0.484 74.093 60.800 1.00 60.00 N +ATOM 3321 N LYS B 289 5.354 77.469 57.183 1.00 50.00 N +ATOM 3322 CA LYS B 289 6.048 77.098 55.987 1.00 48.92 C +ATOM 3323 C LYS B 289 7.541 77.176 56.206 1.00 46.37 C +ATOM 3324 O LYS B 289 8.288 76.323 55.724 1.00 42.53 O +ATOM 3325 CB LYS B 289 5.478 77.973 54.862 1.00 50.92 C +ATOM 3326 CG LYS B 289 5.252 77.184 53.585 1.00 53.77 C +ATOM 3327 CD LYS B 289 4.642 75.792 53.809 1.00 55.41 C +ATOM 3328 CE LYS B 289 5.713 74.700 53.828 1.00 55.58 C +ATOM 3329 NZ LYS B 289 6.061 74.194 52.462 1.00 56.63 N +ATOM 3330 N GLN B 290 8.002 78.167 56.971 1.00 45.24 N +ATOM 3331 CA GLN B 290 9.458 78.227 57.185 1.00 44.55 C +ATOM 3332 C GLN B 290 9.938 77.127 58.120 1.00 42.94 C +ATOM 3333 O GLN B 290 10.968 76.534 57.857 1.00 40.48 O +ATOM 3334 CB GLN B 290 9.909 79.552 57.713 1.00 44.68 C +ATOM 3335 CG GLN B 290 10.014 80.751 56.769 1.00 44.04 C +ATOM 3336 CD GLN B 290 9.966 81.937 57.760 1.00 45.25 C +ATOM 3337 OE1 GLN B 290 8.971 82.001 58.513 1.00 46.06 O +ATOM 3338 NE2 GLN B 290 11.009 82.746 57.776 1.00 42.20 N +ATOM 3339 N VAL B 291 9.138 76.830 59.140 1.00 43.55 N +ATOM 3340 CA VAL B 291 9.458 75.802 60.126 1.00 43.88 C +ATOM 3341 C VAL B 291 9.747 74.492 59.397 1.00 44.11 C +ATOM 3342 O VAL B 291 10.746 73.768 59.435 1.00 44.34 O +ATOM 3343 CB VAL B 291 8.289 75.591 61.103 1.00 44.35 C +ATOM 3344 CG1 VAL B 291 8.320 74.274 61.870 1.00 44.33 C +ATOM 3345 CG2 VAL B 291 8.261 76.750 62.106 1.00 44.27 C +ATOM 3346 N LEU B 292 8.710 74.254 58.606 1.00 42.13 N +ATOM 3347 CA LEU B 292 8.520 73.050 57.842 1.00 41.89 C +ATOM 3348 C LEU B 292 9.497 72.909 56.717 1.00 41.67 C +ATOM 3349 O LEU B 292 9.774 71.791 56.322 1.00 41.63 O +ATOM 3350 CB LEU B 292 7.040 73.055 57.497 1.00 41.97 C +ATOM 3351 CG LEU B 292 6.296 71.803 57.986 1.00 42.16 C +ATOM 3352 CD1 LEU B 292 6.509 71.552 59.452 1.00 41.73 C +ATOM 3353 CD2 LEU B 292 4.849 72.016 57.612 1.00 41.34 C +ATOM 3354 N ARG B 293 10.164 73.944 56.264 1.00 42.71 N +ATOM 3355 CA ARG B 293 11.215 73.831 55.267 1.00 42.79 C +ATOM 3356 C ARG B 293 12.545 73.673 55.990 1.00 38.43 C +ATOM 3357 O ARG B 293 13.443 72.970 55.570 1.00 36.23 O +ATOM 3358 CB ARG B 293 11.287 75.035 54.367 1.00 48.76 C +ATOM 3359 CG ARG B 293 10.255 75.074 53.250 1.00 54.96 C +ATOM 3360 CD ARG B 293 10.767 76.223 52.381 1.00 62.25 C +ATOM 3361 NE ARG B 293 10.272 76.254 51.042 1.00 69.05 N +ATOM 3362 CZ ARG B 293 9.200 75.786 50.415 1.00 71.74 C +ATOM 3363 NH1 ARG B 293 9.121 76.098 49.110 1.00 74.69 N +ATOM 3364 NH2 ARG B 293 8.249 75.027 50.941 1.00 73.70 N +ATOM 3365 N MET B 294 12.602 74.263 57.177 1.00 36.73 N +ATOM 3366 CA MET B 294 13.849 74.021 57.928 1.00 35.93 C +ATOM 3367 C MET B 294 13.861 72.570 58.390 1.00 32.60 C +ATOM 3368 O MET B 294 14.931 72.031 58.497 1.00 31.32 O +ATOM 3369 CB MET B 294 13.962 74.963 59.135 1.00 34.02 C +ATOM 3370 CG MET B 294 15.225 74.682 59.910 1.00 29.63 C +ATOM 3371 SD MET B 294 16.688 75.291 59.083 1.00 32.05 S +ATOM 3372 CE MET B 294 16.383 77.086 59.121 1.00 23.03 C +ATOM 3373 N GLU B 295 12.715 72.017 58.735 1.00 34.40 N +ATOM 3374 CA GLU B 295 12.683 70.676 59.321 1.00 38.76 C +ATOM 3375 C GLU B 295 13.346 69.762 58.313 1.00 40.39 C +ATOM 3376 O GLU B 295 14.320 69.027 58.431 1.00 41.53 O +ATOM 3377 CB GLU B 295 11.254 70.221 59.643 1.00 38.60 C +ATOM 3378 CG GLU B 295 11.110 68.715 59.700 1.00 38.22 C +ATOM 3379 CD GLU B 295 9.703 68.237 59.867 1.00 38.59 C +ATOM 3380 OE1 GLU B 295 9.131 67.924 58.790 1.00 39.94 O +ATOM 3381 OE2 GLU B 295 9.170 68.140 60.983 1.00 38.19 O +ATOM 3382 N HIS B 296 12.678 69.883 57.175 1.00 43.05 N +ATOM 3383 CA HIS B 296 13.169 69.240 55.962 1.00 46.39 C +ATOM 3384 C HIS B 296 14.665 69.467 55.765 1.00 42.36 C +ATOM 3385 O HIS B 296 15.388 68.517 55.545 1.00 42.03 O +ATOM 3386 CB HIS B 296 12.363 69.900 54.853 1.00 51.96 C +ATOM 3387 CG HIS B 296 12.609 69.180 53.573 1.00 57.20 C +ATOM 3388 ND1 HIS B 296 11.977 68.012 53.211 1.00 60.19 N +ATOM 3389 CD2 HIS B 296 13.453 69.537 52.575 1.00 59.53 C +ATOM 3390 CE1 HIS B 296 12.430 67.745 51.977 1.00 62.20 C +ATOM 3391 NE2 HIS B 296 13.345 68.609 51.562 1.00 61.54 N +ATOM 3392 N LEU B 297 15.156 70.691 55.805 1.00 38.54 N +ATOM 3393 CA LEU B 297 16.555 71.011 55.685 1.00 34.80 C +ATOM 3394 C LEU B 297 17.333 70.428 56.850 1.00 34.74 C +ATOM 3395 O LEU B 297 18.457 69.960 56.600 1.00 35.10 O +ATOM 3396 CB LEU B 297 16.755 72.500 55.468 1.00 31.96 C +ATOM 3397 CG LEU B 297 18.225 72.870 55.249 1.00 32.25 C +ATOM 3398 CD1 LEU B 297 18.752 72.411 53.901 1.00 28.89 C +ATOM 3399 CD2 LEU B 297 18.453 74.342 55.550 1.00 30.92 C +ATOM 3400 N VAL B 298 16.812 70.338 58.060 1.00 34.55 N +ATOM 3401 CA VAL B 298 17.599 69.631 59.094 1.00 35.92 C +ATOM 3402 C VAL B 298 17.618 68.166 58.711 1.00 34.71 C +ATOM 3403 O VAL B 298 18.704 67.609 58.786 1.00 36.79 O +ATOM 3404 CB VAL B 298 17.131 69.767 60.543 1.00 34.88 C +ATOM 3405 CG1 VAL B 298 17.960 68.946 61.505 1.00 35.15 C +ATOM 3406 CG2 VAL B 298 17.192 71.243 60.900 1.00 34.34 C +ATOM 3407 N LEU B 299 16.526 67.568 58.255 1.00 35.70 N +ATOM 3408 CA LEU B 299 16.586 66.170 57.817 1.00 35.00 C +ATOM 3409 C LEU B 299 17.628 65.910 56.752 1.00 34.71 C +ATOM 3410 O LEU B 299 18.212 64.818 56.891 1.00 35.44 O +ATOM 3411 CB LEU B 299 15.231 65.593 57.470 1.00 35.47 C +ATOM 3412 CG LEU B 299 14.094 65.460 58.511 1.00 33.01 C +ATOM 3413 CD1 LEU B 299 12.782 65.572 57.734 1.00 28.72 C +ATOM 3414 CD2 LEU B 299 14.199 64.182 59.320 1.00 30.10 C +ATOM 3415 N LYS B 300 18.049 66.784 55.843 1.00 35.04 N +ATOM 3416 CA LYS B 300 19.109 66.464 54.921 1.00 34.45 C +ATOM 3417 C LYS B 300 20.479 66.835 55.429 1.00 34.51 C +ATOM 3418 O LYS B 300 21.415 66.139 54.977 1.00 37.86 O +ATOM 3419 CB LYS B 300 19.007 67.280 53.652 1.00 39.06 C +ATOM 3420 CG LYS B 300 17.602 67.705 53.282 1.00 43.09 C +ATOM 3421 CD LYS B 300 17.848 68.439 51.933 1.00 46.56 C +ATOM 3422 CE LYS B 300 16.542 68.652 51.158 1.00 46.71 C +ATOM 3423 NZ LYS B 300 15.886 67.346 50.904 1.00 44.63 N +ATOM 3424 N VAL B 301 20.665 67.816 56.310 1.00 30.58 N +ATOM 3425 CA VAL B 301 22.054 68.036 56.687 1.00 29.37 C +ATOM 3426 C VAL B 301 22.408 66.796 57.508 1.00 31.08 C +ATOM 3427 O VAL B 301 23.540 66.268 57.518 1.00 29.15 O +ATOM 3428 CB VAL B 301 22.148 69.368 57.435 1.00 29.25 C +ATOM 3429 CG1 VAL B 301 23.453 69.525 58.167 1.00 24.86 C +ATOM 3430 CG2 VAL B 301 21.939 70.500 56.408 1.00 28.98 C +ATOM 3431 N LEU B 302 21.377 66.329 58.266 1.00 30.62 N +ATOM 3432 CA LEU B 302 21.633 65.228 59.201 1.00 32.02 C +ATOM 3433 C LEU B 302 21.447 63.868 58.561 1.00 31.99 C +ATOM 3434 O LEU B 302 21.483 62.822 59.232 1.00 30.96 O +ATOM 3435 CB LEU B 302 20.719 65.284 60.437 1.00 33.37 C +ATOM 3436 CG LEU B 302 20.717 66.537 61.292 1.00 34.91 C +ATOM 3437 CD1 LEU B 302 19.805 66.377 62.496 1.00 36.84 C +ATOM 3438 CD2 LEU B 302 22.165 66.825 61.693 1.00 35.33 C +ATOM 3439 N THR B 303 21.050 63.855 57.296 1.00 29.81 N +ATOM 3440 CA THR B 303 20.783 62.659 56.545 1.00 31.19 C +ATOM 3441 C THR B 303 19.852 61.716 57.288 1.00 33.05 C +ATOM 3442 O THR B 303 19.906 60.491 57.162 1.00 32.50 O +ATOM 3443 CB THR B 303 22.028 61.900 56.027 1.00 31.53 C +ATOM 3444 OG1 THR B 303 22.729 61.244 57.109 1.00 32.76 O +ATOM 3445 CG2 THR B 303 23.099 62.708 55.330 1.00 25.96 C +ATOM 3446 N PHE B 304 18.882 62.243 58.048 1.00 36.20 N +ATOM 3447 CA PHE B 304 17.866 61.444 58.697 1.00 37.10 C +ATOM 3448 C PHE B 304 18.400 60.609 59.834 1.00 35.92 C +ATOM 3449 O PHE B 304 17.668 59.740 60.274 1.00 35.66 O +ATOM 3450 CB PHE B 304 17.176 60.530 57.652 1.00 39.84 C +ATOM 3451 CG PHE B 304 16.187 61.292 56.809 1.00 42.95 C +ATOM 3452 CD1 PHE B 304 14.839 61.297 57.132 1.00 44.55 C +ATOM 3453 CD2 PHE B 304 16.601 62.033 55.706 1.00 44.89 C +ATOM 3454 CE1 PHE B 304 13.914 61.993 56.370 1.00 45.45 C +ATOM 3455 CE2 PHE B 304 15.685 62.732 54.924 1.00 45.95 C +ATOM 3456 CZ PHE B 304 14.342 62.707 55.262 1.00 45.29 C +ATOM 3457 N ASP B 305 19.590 60.863 60.338 1.00 34.09 N +ATOM 3458 CA ASP B 305 20.165 60.108 61.420 1.00 31.88 C +ATOM 3459 C ASP B 305 19.677 60.748 62.699 1.00 32.22 C +ATOM 3460 O ASP B 305 20.461 61.577 63.194 1.00 32.38 O +ATOM 3461 CB ASP B 305 21.698 60.156 61.342 1.00 32.34 C +ATOM 3462 CG ASP B 305 22.282 59.534 60.085 1.00 32.14 C +ATOM 3463 OD1 ASP B 305 21.859 58.490 59.599 1.00 29.45 O +ATOM 3464 OD2 ASP B 305 23.199 60.103 59.446 1.00 32.82 O +ATOM 3465 N LEU B 306 18.459 60.423 63.161 1.00 31.57 N +ATOM 3466 CA LEU B 306 18.036 61.159 64.385 1.00 31.06 C +ATOM 3467 C LEU B 306 18.256 60.467 65.692 1.00 31.02 C +ATOM 3468 O LEU B 306 18.294 61.047 66.790 1.00 33.40 O +ATOM 3469 CB LEU B 306 16.588 61.651 64.192 1.00 27.70 C +ATOM 3470 CG LEU B 306 16.469 62.734 63.106 1.00 25.64 C +ATOM 3471 CD1 LEU B 306 15.114 63.374 63.252 1.00 24.94 C +ATOM 3472 CD2 LEU B 306 17.570 63.799 63.099 1.00 23.71 C +ATOM 3473 N ALA B 307 18.553 59.184 65.649 1.00 31.16 N +ATOM 3474 CA ALA B 307 18.747 58.353 66.813 1.00 29.27 C +ATOM 3475 C ALA B 307 20.097 58.621 67.428 1.00 30.05 C +ATOM 3476 O ALA B 307 20.872 57.648 67.509 1.00 31.87 O +ATOM 3477 CB ALA B 307 18.583 56.908 66.443 1.00 27.92 C +ATOM 3478 N ALA B 308 20.385 59.840 67.875 1.00 28.88 N +ATOM 3479 CA ALA B 308 21.689 59.992 68.514 1.00 29.25 C +ATOM 3480 C ALA B 308 21.666 59.577 69.962 1.00 28.34 C +ATOM 3481 O ALA B 308 20.731 59.982 70.639 1.00 28.59 O +ATOM 3482 CB ALA B 308 22.058 61.483 68.519 1.00 28.90 C +ATOM 3483 N PRO B 309 22.757 59.025 70.478 1.00 29.40 N +ATOM 3484 CA PRO B 309 22.911 58.820 71.925 1.00 30.91 C +ATOM 3485 C PRO B 309 23.009 60.150 72.658 1.00 30.56 C +ATOM 3486 O PRO B 309 23.615 61.128 72.219 1.00 31.21 O +ATOM 3487 CB PRO B 309 24.270 58.138 72.095 1.00 29.17 C +ATOM 3488 CG PRO B 309 24.425 57.498 70.745 1.00 29.86 C +ATOM 3489 CD PRO B 309 23.949 58.568 69.773 1.00 27.11 C +ATOM 3490 N THR B 310 22.455 60.220 73.861 1.00 30.40 N +ATOM 3491 CA THR B 310 22.515 61.460 74.639 1.00 28.79 C +ATOM 3492 C THR B 310 22.989 61.221 76.058 1.00 30.15 C +ATOM 3493 O THR B 310 22.880 60.071 76.498 1.00 29.88 O +ATOM 3494 CB THR B 310 21.069 61.986 74.799 1.00 26.71 C +ATOM 3495 OG1 THR B 310 20.340 60.915 75.455 1.00 23.34 O +ATOM 3496 CG2 THR B 310 20.449 62.382 73.467 1.00 22.39 C +ATOM 3497 N VAL B 311 23.253 62.295 76.800 1.00 30.94 N +ATOM 3498 CA VAL B 311 23.716 62.192 78.187 1.00 31.25 C +ATOM 3499 C VAL B 311 22.766 61.468 79.109 1.00 31.13 C +ATOM 3500 O VAL B 311 23.060 60.571 79.907 1.00 28.93 O +ATOM 3501 CB VAL B 311 24.094 63.601 78.677 1.00 30.36 C +ATOM 3502 CG1 VAL B 311 24.366 63.619 80.171 1.00 27.35 C +ATOM 3503 CG2 VAL B 311 25.359 63.849 77.818 1.00 29.78 C +ATOM 3504 N ASN B 312 21.513 61.828 78.826 1.00 32.05 N +ATOM 3505 CA ASN B 312 20.387 61.169 79.480 1.00 32.17 C +ATOM 3506 C ASN B 312 20.409 59.691 79.122 1.00 30.22 C +ATOM 3507 O ASN B 312 20.032 58.938 80.048 1.00 31.56 O +ATOM 3508 CB ASN B 312 19.118 61.948 79.154 1.00 33.49 C +ATOM 3509 CG ASN B 312 17.895 61.202 79.679 1.00 36.04 C +ATOM 3510 OD1 ASN B 312 17.441 61.389 80.821 1.00 36.77 O +ATOM 3511 ND2 ASN B 312 17.335 60.315 78.840 1.00 33.44 N +ATOM 3512 N GLN B 313 20.822 59.207 77.962 1.00 27.45 N +ATOM 3513 CA GLN B 313 20.785 57.753 77.776 1.00 30.27 C +ATOM 3514 C GLN B 313 21.837 57.029 78.614 1.00 28.60 C +ATOM 3515 O GLN B 313 21.691 55.890 79.025 1.00 27.49 O +ATOM 3516 CB GLN B 313 20.921 57.318 76.300 1.00 30.59 C +ATOM 3517 CG GLN B 313 19.637 57.700 75.590 1.00 33.81 C +ATOM 3518 CD GLN B 313 19.724 57.697 74.070 1.00 36.18 C +ATOM 3519 OE1 GLN B 313 20.245 56.777 73.425 1.00 35.73 O +ATOM 3520 NE2 GLN B 313 19.188 58.772 73.474 1.00 35.97 N +ATOM 3521 N PHE B 314 22.985 57.669 78.759 1.00 28.80 N +ATOM 3522 CA PHE B 314 24.106 57.228 79.537 1.00 28.84 C +ATOM 3523 C PHE B 314 23.690 57.417 81.003 1.00 29.17 C +ATOM 3524 O PHE B 314 23.722 56.381 81.694 1.00 29.52 O +ATOM 3525 CB PHE B 314 25.467 57.798 79.099 1.00 27.81 C +ATOM 3526 CG PHE B 314 26.043 57.238 77.837 1.00 27.61 C +ATOM 3527 CD1 PHE B 314 26.499 55.909 77.820 1.00 27.00 C +ATOM 3528 CD2 PHE B 314 26.058 57.964 76.636 1.00 26.74 C +ATOM 3529 CE1 PHE B 314 26.987 55.335 76.658 1.00 24.45 C +ATOM 3530 CE2 PHE B 314 26.562 57.354 75.482 1.00 24.42 C +ATOM 3531 CZ PHE B 314 27.012 56.066 75.477 1.00 22.63 C +ATOM 3532 N LEU B 315 23.132 58.505 81.492 1.00 29.23 N +ATOM 3533 CA LEU B 315 22.759 58.617 82.901 1.00 30.32 C +ATOM 3534 C LEU B 315 21.895 57.507 83.464 1.00 31.68 C +ATOM 3535 O LEU B 315 22.120 56.898 84.505 1.00 31.27 O +ATOM 3536 CB LEU B 315 22.062 59.959 83.192 1.00 28.58 C +ATOM 3537 CG LEU B 315 22.989 61.176 83.343 1.00 26.21 C +ATOM 3538 CD1 LEU B 315 22.185 62.453 83.501 1.00 22.01 C +ATOM 3539 CD2 LEU B 315 23.903 60.874 84.502 1.00 24.22 C +ATOM 3540 N THR B 316 20.783 57.242 82.822 1.00 34.16 N +ATOM 3541 CA THR B 316 19.792 56.198 83.148 1.00 34.97 C +ATOM 3542 C THR B 316 20.479 54.852 83.218 1.00 36.21 C +ATOM 3543 O THR B 316 20.165 54.010 84.090 1.00 34.74 O +ATOM 3544 CB THR B 316 18.810 56.438 81.994 1.00 36.33 C +ATOM 3545 OG1 THR B 316 17.666 57.249 82.328 1.00 35.39 O +ATOM 3546 CG2 THR B 316 18.434 55.188 81.279 1.00 34.28 C +ATOM 3547 N GLN B 317 21.435 54.581 82.292 1.00 36.01 N +ATOM 3548 CA GLN B 317 22.172 53.332 82.458 1.00 37.66 C +ATOM 3549 C GLN B 317 23.058 53.397 83.708 1.00 36.96 C +ATOM 3550 O GLN B 317 23.027 52.455 84.493 1.00 37.07 O +ATOM 3551 CB GLN B 317 22.910 53.003 81.197 1.00 39.76 C +ATOM 3552 CG GLN B 317 22.081 52.087 80.283 1.00 41.04 C +ATOM 3553 CD GLN B 317 23.024 51.815 79.103 1.00 39.53 C +ATOM 3554 OE1 GLN B 317 23.185 52.778 78.392 1.00 38.42 O +ATOM 3555 NE2 GLN B 317 23.537 50.600 79.113 1.00 41.98 N +ATOM 3556 N TYR B 318 23.705 54.511 84.061 1.00 34.86 N +ATOM 3557 CA TYR B 318 24.491 54.697 85.243 1.00 33.06 C +ATOM 3558 C TYR B 318 23.626 54.678 86.507 1.00 34.52 C +ATOM 3559 O TYR B 318 24.071 54.286 87.598 1.00 36.34 O +ATOM 3560 CB TYR B 318 25.393 55.940 85.286 1.00 29.52 C +ATOM 3561 CG TYR B 318 26.381 56.161 84.173 1.00 28.27 C +ATOM 3562 CD1 TYR B 318 26.680 55.150 83.262 1.00 27.99 C +ATOM 3563 CD2 TYR B 318 27.007 57.387 83.946 1.00 28.48 C +ATOM 3564 CE1 TYR B 318 27.534 55.320 82.194 1.00 26.94 C +ATOM 3565 CE2 TYR B 318 27.861 57.585 82.873 1.00 27.50 C +ATOM 3566 CZ TYR B 318 28.139 56.540 82.014 1.00 27.16 C +ATOM 3567 OH TYR B 318 28.987 56.721 80.937 1.00 25.89 O +ATOM 3568 N PHE B 319 22.353 55.028 86.415 1.00 34.53 N +ATOM 3569 CA PHE B 319 21.428 55.045 87.520 1.00 34.85 C +ATOM 3570 C PHE B 319 21.206 53.644 88.065 1.00 36.81 C +ATOM 3571 O PHE B 319 21.210 53.441 89.285 1.00 35.95 O +ATOM 3572 CB PHE B 319 20.099 55.789 87.274 1.00 30.46 C +ATOM 3573 CG PHE B 319 20.272 57.265 87.091 1.00 27.14 C +ATOM 3574 CD1 PHE B 319 21.462 57.880 87.472 1.00 26.33 C +ATOM 3575 CD2 PHE B 319 19.282 58.069 86.571 1.00 26.44 C +ATOM 3576 CE1 PHE B 319 21.695 59.227 87.326 1.00 26.67 C +ATOM 3577 CE2 PHE B 319 19.492 59.442 86.413 1.00 27.02 C +ATOM 3578 CZ PHE B 319 20.698 60.046 86.777 1.00 26.23 C +ATOM 3579 N LEU B 320 21.285 52.629 87.213 1.00 38.42 N +ATOM 3580 CA LEU B 320 21.077 51.268 87.650 1.00 39.76 C +ATOM 3581 C LEU B 320 22.136 50.799 88.610 1.00 41.58 C +ATOM 3582 O LEU B 320 22.004 49.735 89.210 1.00 39.84 O +ATOM 3583 CB LEU B 320 20.957 50.302 86.464 1.00 38.21 C +ATOM 3584 CG LEU B 320 19.808 50.450 85.481 1.00 35.50 C +ATOM 3585 CD1 LEU B 320 19.879 49.398 84.384 1.00 35.54 C +ATOM 3586 CD2 LEU B 320 18.488 50.471 86.205 1.00 32.39 C +ATOM 3587 N HIS B 321 23.244 51.496 88.767 1.00 46.90 N +ATOM 3588 CA HIS B 321 24.323 51.099 89.644 1.00 49.48 C +ATOM 3589 C HIS B 321 24.283 51.724 91.025 1.00 52.31 C +ATOM 3590 O HIS B 321 25.251 51.444 91.736 1.00 51.08 O +ATOM 3591 CB HIS B 321 25.678 51.455 89.044 1.00 47.85 C +ATOM 3592 CG HIS B 321 26.079 50.581 87.914 1.00 47.74 C +ATOM 3593 ND1 HIS B 321 27.213 49.813 87.964 1.00 47.74 N +ATOM 3594 CD2 HIS B 321 25.522 50.344 86.699 1.00 47.89 C +ATOM 3595 CE1 HIS B 321 27.338 49.141 86.842 1.00 47.04 C +ATOM 3596 NE2 HIS B 321 26.341 49.450 86.065 1.00 47.10 N +ATOM 3597 N GLN B 322 23.296 52.517 91.401 1.00 57.73 N +ATOM 3598 CA GLN B 322 23.346 53.041 92.750 1.00 64.13 C +ATOM 3599 C GLN B 322 22.988 51.938 93.745 1.00 68.37 C +ATOM 3600 O GLN B 322 22.281 50.968 93.514 1.00 66.91 O +ATOM 3601 CB GLN B 322 22.400 54.189 93.069 1.00 64.85 C +ATOM 3602 CG GLN B 322 21.987 54.962 91.869 1.00 66.27 C +ATOM 3603 CD GLN B 322 20.988 56.084 92.047 1.00 66.67 C +ATOM 3604 OE1 GLN B 322 21.138 56.968 92.888 1.00 65.11 O +ATOM 3605 NE2 GLN B 322 19.997 55.969 91.150 1.00 67.57 N +ATOM 3606 N GLN B 323 23.516 52.211 94.947 1.00 74.95 N +ATOM 3607 CA GLN B 323 23.170 51.361 96.093 1.00 80.33 C +ATOM 3608 C GLN B 323 22.527 52.223 97.161 1.00 80.09 C +ATOM 3609 O GLN B 323 23.447 52.605 97.842 1.00 79.97 O +ATOM 3610 CB GLN B 323 24.258 50.355 96.428 1.00 83.87 C +ATOM 3611 CG GLN B 323 24.418 49.300 95.345 1.00 87.96 C +ATOM 3612 CD GLN B 323 25.045 47.975 95.614 1.00 90.48 C +ATOM 3613 OE1 GLN B 323 25.546 47.659 96.695 1.00 91.24 O +ATOM 3614 NE2 GLN B 323 25.048 47.106 94.601 1.00 90.67 N +ATOM 3615 N PRO B 324 21.318 51.845 97.526 1.00 79.10 N +ATOM 3616 CA PRO B 324 20.162 51.639 96.681 1.00 77.17 C +ATOM 3617 C PRO B 324 19.843 52.824 95.770 1.00 73.83 C +ATOM 3618 O PRO B 324 20.637 53.777 95.785 1.00 72.87 O +ATOM 3619 CB PRO B 324 19.018 51.168 97.542 1.00 78.22 C +ATOM 3620 CG PRO B 324 19.370 51.727 98.872 1.00 78.58 C +ATOM 3621 CD PRO B 324 20.610 52.537 98.627 1.00 78.78 C +ATOM 3622 N ALA B 325 18.815 52.791 94.930 1.00 69.75 N +ATOM 3623 CA ALA B 325 18.564 53.973 94.107 1.00 65.93 C +ATOM 3624 C ALA B 325 18.370 55.161 95.053 1.00 63.28 C +ATOM 3625 O ALA B 325 17.766 55.047 96.101 1.00 63.36 O +ATOM 3626 CB ALA B 325 17.374 53.855 93.193 1.00 66.10 C +ATOM 3627 N ASN B 326 18.961 56.275 94.720 1.00 59.69 N +ATOM 3628 CA ASN B 326 18.790 57.495 95.479 1.00 56.44 C +ATOM 3629 C ASN B 326 18.205 58.491 94.465 1.00 55.42 C +ATOM 3630 O ASN B 326 18.813 58.976 93.525 1.00 54.12 O +ATOM 3631 CB ASN B 326 20.006 57.998 96.192 1.00 55.39 C +ATOM 3632 CG ASN B 326 19.790 59.253 96.996 1.00 54.31 C +ATOM 3633 OD1 ASN B 326 19.065 60.153 96.604 1.00 53.45 O +ATOM 3634 ND2 ASN B 326 20.438 59.358 98.153 1.00 54.58 N +ATOM 3635 N CYS B 327 16.951 58.796 94.758 1.00 54.22 N +ATOM 3636 CA CYS B 327 16.263 59.676 93.811 1.00 54.24 C +ATOM 3637 C CYS B 327 16.707 61.101 93.845 1.00 51.45 C +ATOM 3638 O CYS B 327 16.531 61.762 92.818 1.00 51.30 O +ATOM 3639 CB CYS B 327 14.798 59.251 93.918 1.00 55.82 C +ATOM 3640 SG CYS B 327 13.850 60.653 94.431 1.00 60.59 S +ATOM 3641 N LYS B 328 17.464 61.642 94.784 1.00 50.28 N +ATOM 3642 CA LYS B 328 18.032 62.985 94.736 1.00 47.86 C +ATOM 3643 C LYS B 328 19.227 62.945 93.787 1.00 45.01 C +ATOM 3644 O LYS B 328 19.477 63.826 92.994 1.00 44.46 O +ATOM 3645 CB LYS B 328 18.558 63.473 96.080 1.00 48.77 C +ATOM 3646 CG LYS B 328 17.711 64.389 96.948 1.00 49.40 C +ATOM 3647 CD LYS B 328 17.831 63.912 98.378 1.00 51.41 C +ATOM 3648 CE LYS B 328 17.318 64.774 99.493 1.00 52.11 C +ATOM 3649 NZ LYS B 328 18.245 65.690 100.222 1.00 52.87 N +ATOM 3650 N VAL B 329 19.966 61.849 93.933 1.00 43.00 N +ATOM 3651 CA VAL B 329 21.127 61.554 93.123 1.00 40.43 C +ATOM 3652 C VAL B 329 20.745 61.522 91.642 1.00 39.56 C +ATOM 3653 O VAL B 329 21.355 62.244 90.870 1.00 37.97 O +ATOM 3654 CB VAL B 329 21.810 60.264 93.556 1.00 39.55 C +ATOM 3655 CG1 VAL B 329 22.870 59.882 92.518 1.00 38.72 C +ATOM 3656 CG2 VAL B 329 22.474 60.378 94.922 1.00 39.88 C +ATOM 3657 N GLU B 330 19.735 60.781 91.225 1.00 38.65 N +ATOM 3658 CA GLU B 330 19.331 60.700 89.850 1.00 38.78 C +ATOM 3659 C GLU B 330 19.049 62.117 89.356 1.00 37.58 C +ATOM 3660 O GLU B 330 19.569 62.559 88.351 1.00 36.72 O +ATOM 3661 CB GLU B 330 18.051 59.873 89.651 1.00 39.28 C +ATOM 3662 CG GLU B 330 18.143 58.506 90.257 1.00 40.96 C +ATOM 3663 CD GLU B 330 17.363 57.330 89.728 1.00 42.01 C +ATOM 3664 OE1 GLU B 330 16.457 57.376 88.858 1.00 41.80 O +ATOM 3665 OE2 GLU B 330 17.726 56.209 90.208 1.00 42.57 O +ATOM 3666 N SER B 331 18.166 62.744 90.131 1.00 36.26 N +ATOM 3667 CA SER B 331 17.672 64.066 89.841 1.00 33.66 C +ATOM 3668 C SER B 331 18.739 65.131 89.767 1.00 33.50 C +ATOM 3669 O SER B 331 18.653 65.947 88.834 1.00 33.16 O +ATOM 3670 CB SER B 331 16.584 64.409 90.833 1.00 33.58 C +ATOM 3671 OG SER B 331 15.343 64.418 90.208 1.00 33.62 O +ATOM 3672 N LEU B 332 19.693 65.128 90.699 1.00 31.70 N +ATOM 3673 CA LEU B 332 20.765 66.100 90.588 1.00 31.47 C +ATOM 3674 C LEU B 332 21.680 65.754 89.423 1.00 31.40 C +ATOM 3675 O LEU B 332 22.272 66.685 88.870 1.00 32.47 O +ATOM 3676 CB LEU B 332 21.586 66.214 91.867 1.00 32.74 C +ATOM 3677 CG LEU B 332 22.702 67.268 91.876 1.00 31.82 C +ATOM 3678 CD1 LEU B 332 22.117 68.646 91.583 1.00 32.36 C +ATOM 3679 CD2 LEU B 332 23.405 67.169 93.214 1.00 30.26 C +ATOM 3680 N ALA B 333 21.818 64.494 89.018 1.00 30.34 N +ATOM 3681 CA ALA B 333 22.656 64.149 87.873 1.00 31.08 C +ATOM 3682 C ALA B 333 22.037 64.687 86.575 1.00 32.22 C +ATOM 3683 O ALA B 333 22.661 65.327 85.714 1.00 31.26 O +ATOM 3684 CB ALA B 333 22.902 62.664 87.816 1.00 30.06 C +ATOM 3685 N MET B 334 20.741 64.507 86.469 1.00 32.73 N +ATOM 3686 CA MET B 334 19.910 65.043 85.428 1.00 35.42 C +ATOM 3687 C MET B 334 20.041 66.540 85.203 1.00 35.27 C +ATOM 3688 O MET B 334 20.188 66.927 84.059 1.00 31.95 O +ATOM 3689 CB MET B 334 18.466 64.731 85.790 1.00 37.04 C +ATOM 3690 CG MET B 334 18.309 63.210 85.632 1.00 41.45 C +ATOM 3691 SD MET B 334 16.561 62.932 85.286 1.00 45.82 S +ATOM 3692 CE MET B 334 16.640 63.589 83.600 1.00 45.64 C +ATOM 3693 N PHE B 335 20.033 67.309 86.268 1.00 38.26 N +ATOM 3694 CA PHE B 335 20.154 68.752 86.302 1.00 39.93 C +ATOM 3695 C PHE B 335 21.500 69.241 85.806 1.00 39.04 C +ATOM 3696 O PHE B 335 21.662 70.263 85.158 1.00 41.07 O +ATOM 3697 CB PHE B 335 19.965 69.183 87.790 1.00 42.44 C +ATOM 3698 CG PHE B 335 20.368 70.604 88.091 1.00 43.15 C +ATOM 3699 CD1 PHE B 335 19.590 71.666 87.631 1.00 43.87 C +ATOM 3700 CD2 PHE B 335 21.510 70.911 88.785 1.00 44.02 C +ATOM 3701 CE1 PHE B 335 19.891 72.991 87.839 1.00 42.48 C +ATOM 3702 CE2 PHE B 335 21.855 72.241 89.011 1.00 44.82 C +ATOM 3703 CZ PHE B 335 21.043 73.261 88.539 1.00 44.41 C +ATOM 3704 N LEU B 336 22.591 68.578 86.141 1.00 37.59 N +ATOM 3705 CA LEU B 336 23.954 68.925 85.805 1.00 36.06 C +ATOM 3706 C LEU B 336 24.339 68.530 84.365 1.00 36.46 C +ATOM 3707 O LEU B 336 25.042 69.160 83.582 1.00 32.49 O +ATOM 3708 CB LEU B 336 24.903 68.233 86.797 1.00 32.83 C +ATOM 3709 CG LEU B 336 24.895 68.530 88.288 1.00 32.33 C +ATOM 3710 CD1 LEU B 336 25.724 67.470 89.049 1.00 31.87 C +ATOM 3711 CD2 LEU B 336 25.452 69.876 88.707 1.00 28.25 C +ATOM 3712 N GLY B 337 23.824 67.325 84.012 1.00 35.83 N +ATOM 3713 CA GLY B 337 24.068 66.836 82.665 1.00 34.59 C +ATOM 3714 C GLY B 337 23.294 67.909 81.878 1.00 34.08 C +ATOM 3715 O GLY B 337 23.826 68.461 80.936 1.00 34.78 O +ATOM 3716 N GLU B 338 22.104 68.289 82.360 1.00 33.50 N +ATOM 3717 CA GLU B 338 21.319 69.292 81.635 1.00 33.21 C +ATOM 3718 C GLU B 338 22.013 70.640 81.607 1.00 35.97 C +ATOM 3719 O GLU B 338 22.021 71.323 80.573 1.00 35.35 O +ATOM 3720 CB GLU B 338 19.911 69.263 82.151 1.00 32.03 C +ATOM 3721 CG GLU B 338 18.822 70.095 81.535 1.00 32.69 C +ATOM 3722 CD GLU B 338 17.417 69.615 81.781 1.00 32.75 C +ATOM 3723 OE1 GLU B 338 16.546 70.520 81.735 1.00 35.56 O +ATOM 3724 OE2 GLU B 338 17.014 68.478 81.987 1.00 31.35 O +ATOM 3725 N LEU B 339 22.711 71.098 82.661 1.00 37.00 N +ATOM 3726 CA LEU B 339 23.418 72.364 82.516 1.00 38.05 C +ATOM 3727 C LEU B 339 24.486 72.192 81.447 1.00 37.37 C +ATOM 3728 O LEU B 339 24.628 73.054 80.547 1.00 36.58 O +ATOM 3729 CB LEU B 339 23.967 72.904 83.827 1.00 38.12 C +ATOM 3730 CG LEU B 339 22.897 73.383 84.822 1.00 37.58 C +ATOM 3731 CD1 LEU B 339 23.500 73.396 86.204 1.00 37.05 C +ATOM 3732 CD2 LEU B 339 22.348 74.742 84.465 1.00 36.69 C +ATOM 3733 N SER B 340 25.128 71.027 81.386 1.00 35.84 N +ATOM 3734 CA SER B 340 26.174 70.842 80.362 1.00 34.93 C +ATOM 3735 C SER B 340 25.671 71.175 78.968 1.00 33.96 C +ATOM 3736 O SER B 340 26.442 71.630 78.116 1.00 33.80 O +ATOM 3737 CB SER B 340 26.778 69.450 80.453 1.00 33.73 C +ATOM 3738 OG SER B 340 26.039 68.643 79.527 1.00 33.82 O +ATOM 3739 N LEU B 341 24.412 71.019 78.623 1.00 32.99 N +ATOM 3740 CA LEU B 341 23.830 71.426 77.383 1.00 33.32 C +ATOM 3741 C LEU B 341 23.945 72.915 77.036 1.00 34.00 C +ATOM 3742 O LEU B 341 24.014 73.282 75.848 1.00 34.69 O +ATOM 3743 CB LEU B 341 22.313 71.110 77.373 1.00 31.70 C +ATOM 3744 CG LEU B 341 21.886 69.651 77.338 1.00 31.44 C +ATOM 3745 CD1 LEU B 341 20.371 69.503 77.325 1.00 29.31 C +ATOM 3746 CD2 LEU B 341 22.460 68.888 76.158 1.00 28.24 C +ATOM 3747 N ILE B 342 23.822 73.816 77.990 1.00 34.10 N +ATOM 3748 CA ILE B 342 23.690 75.248 77.755 1.00 33.09 C +ATOM 3749 C ILE B 342 24.924 75.904 77.174 1.00 34.26 C +ATOM 3750 O ILE B 342 24.776 76.867 76.431 1.00 33.32 O +ATOM 3751 CB ILE B 342 23.332 76.013 79.068 1.00 31.38 C +ATOM 3752 CG1 ILE B 342 21.901 75.744 79.509 1.00 27.83 C +ATOM 3753 CG2 ILE B 342 23.585 77.524 79.017 1.00 29.85 C +ATOM 3754 CD1 ILE B 342 20.813 76.633 78.998 1.00 28.77 C +ATOM 3755 N ASP B 343 26.086 75.456 77.595 1.00 34.88 N +ATOM 3756 CA ASP B 343 27.347 76.090 77.285 1.00 36.44 C +ATOM 3757 C ASP B 343 28.295 75.371 76.351 1.00 35.72 C +ATOM 3758 O ASP B 343 29.153 74.605 76.776 1.00 33.25 O +ATOM 3759 CB ASP B 343 27.950 76.183 78.704 1.00 40.40 C +ATOM 3760 CG ASP B 343 27.546 77.303 79.629 1.00 42.41 C +ATOM 3761 OD1 ASP B 343 27.483 78.460 79.156 1.00 43.23 O +ATOM 3762 OD2 ASP B 343 27.304 77.079 80.841 1.00 43.58 O +ATOM 3763 N ALA B 344 28.358 75.628 75.057 1.00 36.37 N +ATOM 3764 CA ALA B 344 29.201 75.006 74.071 1.00 37.08 C +ATOM 3765 C ALA B 344 30.679 74.979 74.426 1.00 40.07 C +ATOM 3766 O ALA B 344 31.385 74.073 73.954 1.00 38.87 O +ATOM 3767 CB ALA B 344 29.062 75.639 72.717 1.00 34.28 C +ATOM 3768 N ASP B 345 31.147 75.960 75.186 1.00 43.11 N +ATOM 3769 CA ASP B 345 32.516 75.950 75.679 1.00 45.10 C +ATOM 3770 C ASP B 345 32.633 75.806 77.176 1.00 45.40 C +ATOM 3771 O ASP B 345 31.873 76.723 77.499 1.00 44.28 O +ATOM 3772 CB ASP B 345 33.265 77.212 75.279 1.00 47.52 C +ATOM 3773 CG ASP B 345 34.691 77.239 75.799 1.00 48.92 C +ATOM 3774 OD1 ASP B 345 35.215 76.281 76.411 1.00 49.85 O +ATOM 3775 OD2 ASP B 345 35.284 78.315 75.554 1.00 48.27 O +ATOM 3776 N PRO B 346 32.657 74.637 77.748 1.00 45.92 N +ATOM 3777 CA PRO B 346 33.526 73.551 77.440 1.00 46.22 C +ATOM 3778 C PRO B 346 32.794 72.288 76.945 1.00 46.47 C +ATOM 3779 O PRO B 346 33.415 71.412 76.352 1.00 45.11 O +ATOM 3780 CB PRO B 346 34.343 73.242 78.688 1.00 46.09 C +ATOM 3781 CG PRO B 346 33.232 73.295 79.689 1.00 45.79 C +ATOM 3782 CD PRO B 346 32.547 74.536 79.216 1.00 45.49 C +ATOM 3783 N TYR B 347 31.492 72.139 77.119 1.00 46.58 N +ATOM 3784 CA TYR B 347 30.808 70.888 76.847 1.00 48.31 C +ATOM 3785 C TYR B 347 30.886 70.348 75.440 1.00 49.92 C +ATOM 3786 O TYR B 347 31.068 69.099 75.341 1.00 51.06 O +ATOM 3787 CB TYR B 347 29.457 70.882 77.599 1.00 45.75 C +ATOM 3788 CG TYR B 347 29.783 71.150 79.062 1.00 44.28 C +ATOM 3789 CD1 TYR B 347 30.321 70.154 79.873 1.00 44.45 C +ATOM 3790 CD2 TYR B 347 29.637 72.406 79.596 1.00 43.69 C +ATOM 3791 CE1 TYR B 347 30.658 70.430 81.179 1.00 43.02 C +ATOM 3792 CE2 TYR B 347 29.972 72.698 80.896 1.00 42.76 C +ATOM 3793 CZ TYR B 347 30.463 71.698 81.682 1.00 42.51 C +ATOM 3794 OH TYR B 347 30.793 71.904 82.987 1.00 42.55 O +ATOM 3795 N LEU B 348 30.992 71.030 74.320 1.00 49.90 N +ATOM 3796 CA LEU B 348 31.207 70.351 73.052 1.00 50.36 C +ATOM 3797 C LEU B 348 32.512 69.592 72.943 1.00 50.53 C +ATOM 3798 O LEU B 348 32.695 69.001 71.872 1.00 50.86 O +ATOM 3799 CB LEU B 348 31.124 71.301 71.865 1.00 50.06 C +ATOM 3800 CG LEU B 348 30.023 71.208 70.826 1.00 50.96 C +ATOM 3801 CD1 LEU B 348 28.682 70.760 71.380 1.00 50.74 C +ATOM 3802 CD2 LEU B 348 29.918 72.607 70.194 1.00 50.41 C +ATOM 3803 N LYS B 349 33.451 69.467 73.844 1.00 51.97 N +ATOM 3804 CA LYS B 349 34.691 68.739 73.693 1.00 51.69 C +ATOM 3805 C LYS B 349 34.479 67.327 74.289 1.00 49.43 C +ATOM 3806 O LYS B 349 35.411 66.511 74.294 1.00 49.22 O +ATOM 3807 CB LYS B 349 35.863 69.196 74.552 1.00 53.95 C +ATOM 3808 CG LYS B 349 36.441 70.554 74.591 1.00 56.92 C +ATOM 3809 CD LYS B 349 37.304 70.779 75.829 1.00 59.24 C +ATOM 3810 CE LYS B 349 37.761 72.229 75.809 1.00 61.70 C +ATOM 3811 NZ LYS B 349 38.861 72.562 76.765 1.00 63.44 N +ATOM 3812 N TYR B 350 33.362 67.270 75.000 1.00 45.55 N +ATOM 3813 CA TYR B 350 33.072 66.040 75.707 1.00 43.14 C +ATOM 3814 C TYR B 350 31.861 65.302 75.125 1.00 41.72 C +ATOM 3815 O TYR B 350 30.797 65.708 74.668 1.00 39.65 O +ATOM 3816 CB TYR B 350 32.980 66.257 77.187 1.00 42.75 C +ATOM 3817 CG TYR B 350 34.030 66.997 77.958 1.00 43.34 C +ATOM 3818 CD1 TYR B 350 35.344 66.604 78.114 1.00 44.23 C +ATOM 3819 CD2 TYR B 350 33.647 68.173 78.609 1.00 43.72 C +ATOM 3820 CE1 TYR B 350 36.254 67.357 78.853 1.00 44.94 C +ATOM 3821 CE2 TYR B 350 34.527 68.925 79.360 1.00 43.82 C +ATOM 3822 CZ TYR B 350 35.825 68.508 79.488 1.00 44.52 C +ATOM 3823 OH TYR B 350 36.652 69.278 80.254 1.00 44.59 O +ATOM 3824 N LEU B 351 32.161 63.999 75.127 1.00 39.92 N +ATOM 3825 CA LEU B 351 31.249 62.986 74.691 1.00 38.41 C +ATOM 3826 C LEU B 351 30.229 62.791 75.820 1.00 37.32 C +ATOM 3827 O LEU B 351 30.543 62.877 77.002 1.00 35.15 O +ATOM 3828 CB LEU B 351 31.853 61.641 74.395 1.00 36.89 C +ATOM 3829 CG LEU B 351 32.702 61.435 73.153 1.00 35.71 C +ATOM 3830 CD1 LEU B 351 33.345 60.049 73.201 1.00 32.66 C +ATOM 3831 CD2 LEU B 351 31.952 61.595 71.839 1.00 36.10 C +ATOM 3832 N PRO B 352 29.035 62.440 75.357 1.00 36.23 N +ATOM 3833 CA PRO B 352 27.926 62.160 76.227 1.00 35.49 C +ATOM 3834 C PRO B 352 28.219 61.206 77.336 1.00 33.81 C +ATOM 3835 O PRO B 352 27.705 61.323 78.459 1.00 37.34 O +ATOM 3836 CB PRO B 352 26.912 61.472 75.281 1.00 36.43 C +ATOM 3837 CG PRO B 352 27.161 62.121 73.973 1.00 36.45 C +ATOM 3838 CD PRO B 352 28.656 62.367 73.928 1.00 36.62 C +ATOM 3839 N SER B 353 28.964 60.153 77.108 1.00 31.56 N +ATOM 3840 CA SER B 353 29.202 59.149 78.146 1.00 31.31 C +ATOM 3841 C SER B 353 30.014 59.694 79.308 1.00 29.88 C +ATOM 3842 O SER B 353 29.955 59.351 80.497 1.00 26.56 O +ATOM 3843 CB SER B 353 29.808 57.917 77.467 1.00 32.49 C +ATOM 3844 OG SER B 353 31.155 58.105 77.145 1.00 31.01 O +ATOM 3845 N VAL B 354 30.906 60.590 78.884 1.00 28.74 N +ATOM 3846 CA VAL B 354 31.785 61.330 79.753 1.00 27.88 C +ATOM 3847 C VAL B 354 31.024 62.425 80.469 1.00 27.62 C +ATOM 3848 O VAL B 354 31.208 62.519 81.682 1.00 27.66 O +ATOM 3849 CB VAL B 354 32.989 61.819 78.900 1.00 29.95 C +ATOM 3850 CG1 VAL B 354 33.724 62.850 79.723 1.00 27.69 C +ATOM 3851 CG2 VAL B 354 33.864 60.627 78.400 1.00 26.12 C +ATOM 3852 N ILE B 355 30.092 63.204 79.922 1.00 26.31 N +ATOM 3853 CA ILE B 355 29.441 64.191 80.747 1.00 26.80 C +ATOM 3854 C ILE B 355 28.577 63.499 81.807 1.00 29.01 C +ATOM 3855 O ILE B 355 28.608 63.869 83.003 1.00 28.26 O +ATOM 3856 CB ILE B 355 28.598 65.153 79.905 1.00 25.93 C +ATOM 3857 CG1 ILE B 355 29.578 65.838 78.954 1.00 26.06 C +ATOM 3858 CG2 ILE B 355 27.800 66.085 80.803 1.00 21.90 C +ATOM 3859 CD1 ILE B 355 28.909 66.231 77.661 1.00 25.49 C +ATOM 3860 N ALA B 356 27.810 62.505 81.360 1.00 28.13 N +ATOM 3861 CA ALA B 356 27.083 61.678 82.305 1.00 30.11 C +ATOM 3862 C ALA B 356 28.082 61.144 83.340 1.00 32.11 C +ATOM 3863 O ALA B 356 27.726 61.162 84.547 1.00 35.46 O +ATOM 3864 CB ALA B 356 26.384 60.520 81.640 1.00 28.39 C +ATOM 3865 N GLY B 357 29.290 60.696 83.010 1.00 30.98 N +ATOM 3866 CA GLY B 357 30.191 60.247 84.061 1.00 33.58 C +ATOM 3867 C GLY B 357 30.413 61.264 85.187 1.00 33.38 C +ATOM 3868 O GLY B 357 30.215 60.951 86.352 1.00 33.38 O +ATOM 3869 N ALA B 358 30.899 62.426 84.824 1.00 32.25 N +ATOM 3870 CA ALA B 358 31.158 63.559 85.641 1.00 33.70 C +ATOM 3871 C ALA B 358 29.893 63.928 86.435 1.00 34.49 C +ATOM 3872 O ALA B 358 29.929 64.079 87.663 1.00 33.56 O +ATOM 3873 CB ALA B 358 31.564 64.775 84.790 1.00 33.94 C +ATOM 3874 N ALA B 359 28.781 64.066 85.716 1.00 32.59 N +ATOM 3875 CA ALA B 359 27.533 64.400 86.334 1.00 31.97 C +ATOM 3876 C ALA B 359 27.070 63.345 87.313 1.00 34.02 C +ATOM 3877 O ALA B 359 26.429 63.687 88.301 1.00 33.76 O +ATOM 3878 CB ALA B 359 26.467 64.483 85.252 1.00 34.98 C +ATOM 3879 N PHE B 360 27.253 62.053 87.049 1.00 36.20 N +ATOM 3880 CA PHE B 360 26.792 61.043 87.995 1.00 38.47 C +ATOM 3881 C PHE B 360 27.700 61.056 89.246 1.00 39.66 C +ATOM 3882 O PHE B 360 27.277 60.639 90.312 1.00 40.72 O +ATOM 3883 CB PHE B 360 26.817 59.624 87.438 1.00 38.68 C +ATOM 3884 CG PHE B 360 26.228 58.573 88.329 1.00 38.71 C +ATOM 3885 CD1 PHE B 360 24.987 58.804 88.915 1.00 38.81 C +ATOM 3886 CD2 PHE B 360 26.850 57.378 88.579 1.00 38.55 C +ATOM 3887 CE1 PHE B 360 24.398 57.880 89.750 1.00 38.52 C +ATOM 3888 CE2 PHE B 360 26.269 56.454 89.439 1.00 39.23 C +ATOM 3889 CZ PHE B 360 25.039 56.687 90.012 1.00 38.98 C +ATOM 3890 N HIS B 361 28.948 61.446 89.063 1.00 38.31 N +ATOM 3891 CA HIS B 361 29.900 61.473 90.132 1.00 39.99 C +ATOM 3892 C HIS B 361 29.592 62.700 91.005 1.00 39.03 C +ATOM 3893 O HIS B 361 29.541 62.644 92.229 1.00 37.88 O +ATOM 3894 CB HIS B 361 31.356 61.480 89.582 1.00 40.74 C +ATOM 3895 CG HIS B 361 32.265 61.585 90.766 1.00 41.16 C +ATOM 3896 ND1 HIS B 361 32.581 60.526 91.579 1.00 41.89 N +ATOM 3897 CD2 HIS B 361 32.828 62.692 91.313 1.00 40.46 C +ATOM 3898 CE1 HIS B 361 33.344 60.963 92.577 1.00 40.75 C +ATOM 3899 NE2 HIS B 361 33.510 62.254 92.405 1.00 40.22 N +ATOM 3900 N LEU B 362 29.399 63.813 90.293 1.00 38.01 N +ATOM 3901 CA LEU B 362 29.112 65.047 90.999 1.00 38.54 C +ATOM 3902 C LEU B 362 27.819 64.898 91.793 1.00 37.78 C +ATOM 3903 O LEU B 362 27.871 65.234 92.975 1.00 37.67 O +ATOM 3904 CB LEU B 362 29.225 66.259 90.103 1.00 37.32 C +ATOM 3905 CG LEU B 362 29.488 67.636 90.726 1.00 34.48 C +ATOM 3906 CD1 LEU B 362 30.216 67.554 92.069 1.00 32.04 C +ATOM 3907 CD2 LEU B 362 30.205 68.501 89.699 1.00 32.00 C +ATOM 3908 N ALA B 363 26.768 64.288 91.298 1.00 37.88 N +ATOM 3909 CA ALA B 363 25.560 64.045 92.043 1.00 37.98 C +ATOM 3910 C ALA B 363 25.789 63.163 93.267 1.00 38.59 C +ATOM 3911 O ALA B 363 25.492 63.627 94.363 1.00 36.15 O +ATOM 3912 CB ALA B 363 24.498 63.380 91.179 1.00 37.62 C +ATOM 3913 N LEU B 364 26.263 61.941 93.150 1.00 40.44 N +ATOM 3914 CA LEU B 364 26.517 61.034 94.249 1.00 44.27 C +ATOM 3915 C LEU B 364 27.342 61.621 95.396 1.00 47.00 C +ATOM 3916 O LEU B 364 27.132 61.434 96.607 1.00 45.53 O +ATOM 3917 CB LEU B 364 27.265 59.813 93.713 1.00 45.23 C +ATOM 3918 CG LEU B 364 26.877 58.460 94.304 1.00 47.41 C +ATOM 3919 CD1 LEU B 364 25.635 57.817 93.684 1.00 47.82 C +ATOM 3920 CD2 LEU B 364 28.036 57.486 94.108 1.00 48.59 C +ATOM 3921 N TYR B 365 28.378 62.363 95.017 1.00 49.73 N +ATOM 3922 CA TYR B 365 29.273 62.981 95.947 1.00 53.66 C +ATOM 3923 C TYR B 365 28.612 64.012 96.858 1.00 52.94 C +ATOM 3924 O TYR B 365 28.923 64.074 98.050 1.00 52.60 O +ATOM 3925 CB TYR B 365 30.410 63.685 95.193 1.00 57.87 C +ATOM 3926 CG TYR B 365 31.515 64.138 96.129 1.00 61.48 C +ATOM 3927 CD1 TYR B 365 32.071 63.183 96.969 1.00 63.28 C +ATOM 3928 CD2 TYR B 365 31.997 65.435 96.202 1.00 62.51 C +ATOM 3929 CE1 TYR B 365 33.083 63.508 97.847 1.00 64.55 C +ATOM 3930 CE2 TYR B 365 33.008 65.770 97.083 1.00 63.54 C +ATOM 3931 CZ TYR B 365 33.548 64.807 97.899 1.00 64.54 C +ATOM 3932 OH TYR B 365 34.556 65.073 98.802 1.00 65.30 O +ATOM 3933 N THR B 366 27.832 64.899 96.267 1.00 51.12 N +ATOM 3934 CA THR B 366 27.145 66.008 96.871 1.00 48.69 C +ATOM 3935 C THR B 366 26.087 65.604 97.893 1.00 49.92 C +ATOM 3936 O THR B 366 25.906 66.258 98.924 1.00 50.91 O +ATOM 3937 CB THR B 366 26.337 66.763 95.781 1.00 46.53 C +ATOM 3938 OG1 THR B 366 27.226 67.360 94.830 1.00 43.67 O +ATOM 3939 CG2 THR B 366 25.429 67.838 96.336 1.00 43.80 C +ATOM 3940 N VAL B 367 25.338 64.596 97.462 1.00 49.15 N +ATOM 3941 CA VAL B 367 24.166 64.119 98.160 1.00 48.44 C +ATOM 3942 C VAL B 367 24.513 63.010 99.132 1.00 49.83 C +ATOM 3943 O VAL B 367 24.006 63.071 100.255 1.00 50.36 O +ATOM 3944 CB VAL B 367 23.126 63.688 97.110 1.00 47.70 C +ATOM 3945 CG1 VAL B 367 21.986 62.871 97.710 1.00 46.48 C +ATOM 3946 CG2 VAL B 367 22.553 64.909 96.398 1.00 45.73 C +ATOM 3947 N THR B 368 25.325 62.040 98.705 1.00 49.74 N +ATOM 3948 CA THR B 368 25.722 60.936 99.531 1.00 48.57 C +ATOM 3949 C THR B 368 27.198 60.893 99.946 1.00 47.95 C +ATOM 3950 O THR B 368 27.559 60.106 100.836 1.00 46.13 O +ATOM 3951 CB THR B 368 25.515 59.532 98.915 1.00 48.57 C +ATOM 3952 OG1 THR B 368 26.538 59.346 97.949 1.00 48.27 O +ATOM 3953 CG2 THR B 368 24.158 59.344 98.305 1.00 49.29 C +ATOM 3954 N GLY B 369 28.132 61.572 99.319 1.00 47.65 N +ATOM 3955 CA GLY B 369 29.509 61.474 99.750 1.00 48.72 C +ATOM 3956 C GLY B 369 30.252 60.372 99.016 1.00 50.28 C +ATOM 3957 O GLY B 369 31.492 60.426 99.032 1.00 50.28 O +ATOM 3958 N GLN B 370 29.521 59.473 98.362 1.00 51.01 N +ATOM 3959 CA GLN B 370 30.135 58.372 97.655 1.00 52.44 C +ATOM 3960 C GLN B 370 30.701 58.777 96.291 1.00 51.02 C +ATOM 3961 O GLN B 370 30.430 59.871 95.791 1.00 49.72 O +ATOM 3962 CB GLN B 370 29.099 57.283 97.489 1.00 55.67 C +ATOM 3963 CG GLN B 370 28.330 56.899 98.744 1.00 59.49 C +ATOM 3964 CD GLN B 370 27.151 56.041 98.272 1.00 62.64 C +ATOM 3965 OE1 GLN B 370 27.270 54.818 98.378 1.00 63.70 O +ATOM 3966 NE2 GLN B 370 26.078 56.638 97.741 1.00 63.58 N +ATOM 3967 N SER B 371 31.482 57.867 95.721 1.00 48.43 N +ATOM 3968 CA SER B 371 32.090 58.099 94.428 1.00 48.68 C +ATOM 3969 C SER B 371 31.663 57.201 93.272 1.00 46.73 C +ATOM 3970 O SER B 371 30.955 56.238 93.490 1.00 48.13 O +ATOM 3971 CB SER B 371 33.607 57.831 94.511 1.00 48.45 C +ATOM 3972 OG SER B 371 34.208 58.812 95.315 1.00 50.06 O +ATOM 3973 N TRP B 372 32.149 57.515 92.090 1.00 44.52 N +ATOM 3974 CA TRP B 372 32.043 56.723 90.865 1.00 42.21 C +ATOM 3975 C TRP B 372 32.397 55.309 91.300 1.00 40.01 C +ATOM 3976 O TRP B 372 33.530 55.141 91.749 1.00 39.45 O +ATOM 3977 CB TRP B 372 33.122 57.217 89.885 1.00 41.94 C +ATOM 3978 CG TRP B 372 33.161 56.582 88.536 1.00 40.79 C +ATOM 3979 CD1 TRP B 372 34.117 55.733 88.064 1.00 40.12 C +ATOM 3980 CD2 TRP B 372 32.212 56.708 87.475 1.00 39.97 C +ATOM 3981 NE1 TRP B 372 33.806 55.335 86.796 1.00 40.06 N +ATOM 3982 CE2 TRP B 372 32.640 55.901 86.405 1.00 38.36 C +ATOM 3983 CE3 TRP B 372 31.006 57.419 87.353 1.00 39.46 C +ATOM 3984 CZ2 TRP B 372 31.952 55.786 85.209 1.00 36.90 C +ATOM 3985 CZ3 TRP B 372 30.312 57.297 86.141 1.00 38.51 C +ATOM 3986 CH2 TRP B 372 30.799 56.504 85.105 1.00 36.11 C +ATOM 3987 N PRO B 373 31.429 54.423 91.369 1.00 38.52 N +ATOM 3988 CA PRO B 373 31.608 53.065 91.847 1.00 38.45 C +ATOM 3989 C PRO B 373 32.403 52.155 90.905 1.00 39.72 C +ATOM 3990 O PRO B 373 32.500 52.256 89.671 1.00 37.12 O +ATOM 3991 CB PRO B 373 30.211 52.469 91.893 1.00 37.57 C +ATOM 3992 CG PRO B 373 29.549 53.221 90.779 1.00 38.00 C +ATOM 3993 CD PRO B 373 30.042 54.645 90.911 1.00 36.98 C +ATOM 3994 N GLU B 374 32.900 51.114 91.562 1.00 39.23 N +ATOM 3995 CA GLU B 374 33.804 50.176 90.895 1.00 39.35 C +ATOM 3996 C GLU B 374 33.141 49.482 89.733 1.00 38.39 C +ATOM 3997 O GLU B 374 33.784 49.258 88.682 1.00 38.44 O +ATOM 3998 CB GLU B 374 34.386 49.342 92.020 1.00 41.29 C +ATOM 3999 CG GLU B 374 34.447 47.849 91.705 1.00 45.37 C +ATOM 4000 CD GLU B 374 35.582 47.770 90.677 1.00 48.22 C +ATOM 4001 OE1 GLU B 374 36.567 48.474 91.023 1.00 50.50 O +ATOM 4002 OE2 GLU B 374 35.392 47.109 89.650 1.00 47.17 O +ATOM 4003 N SER B 375 31.870 49.119 89.899 1.00 36.15 N +ATOM 4004 CA SER B 375 31.142 48.501 88.793 1.00 34.64 C +ATOM 4005 C SER B 375 31.041 49.407 87.563 1.00 35.07 C +ATOM 4006 O SER B 375 31.169 48.954 86.413 1.00 35.66 O +ATOM 4007 CB SER B 375 29.768 48.031 89.254 1.00 32.22 C +ATOM 4008 OG SER B 375 28.896 49.027 89.695 1.00 26.30 O +ATOM 4009 N LEU B 376 30.849 50.708 87.642 1.00 35.24 N +ATOM 4010 CA LEU B 376 30.800 51.571 86.469 1.00 36.75 C +ATOM 4011 C LEU B 376 32.171 51.725 85.820 1.00 38.42 C +ATOM 4012 O LEU B 376 32.199 51.977 84.612 1.00 37.71 O +ATOM 4013 CB LEU B 376 30.202 52.948 86.728 1.00 36.56 C +ATOM 4014 CG LEU B 376 28.684 52.943 86.873 1.00 35.75 C +ATOM 4015 CD1 LEU B 376 28.209 54.338 87.255 1.00 36.51 C +ATOM 4016 CD2 LEU B 376 27.969 52.459 85.625 1.00 34.56 C +ATOM 4017 N ILE B 377 33.237 51.531 86.628 1.00 38.47 N +ATOM 4018 CA ILE B 377 34.546 51.498 86.024 1.00 40.42 C +ATOM 4019 C ILE B 377 34.623 50.306 85.056 1.00 40.03 C +ATOM 4020 O ILE B 377 35.184 50.352 83.974 1.00 38.24 O +ATOM 4021 CB ILE B 377 35.664 51.346 87.068 1.00 40.71 C +ATOM 4022 CG1 ILE B 377 35.849 52.711 87.734 1.00 41.88 C +ATOM 4023 CG2 ILE B 377 36.973 50.904 86.435 1.00 38.22 C +ATOM 4024 CD1 ILE B 377 36.561 52.652 89.074 1.00 42.21 C +ATOM 4025 N ARG B 378 34.133 49.174 85.522 1.00 42.15 N +ATOM 4026 CA ARG B 378 34.109 47.924 84.822 1.00 43.50 C +ATOM 4027 C ARG B 378 33.233 48.010 83.602 1.00 42.62 C +ATOM 4028 O ARG B 378 33.698 47.479 82.588 1.00 43.70 O +ATOM 4029 CB ARG B 378 33.664 46.756 85.726 1.00 46.36 C +ATOM 4030 CG ARG B 378 34.919 46.146 86.336 1.00 48.16 C +ATOM 4031 CD ARG B 378 34.677 45.124 87.400 1.00 50.78 C +ATOM 4032 NE ARG B 378 33.761 45.444 88.475 1.00 52.36 N +ATOM 4033 CZ ARG B 378 32.561 44.915 88.657 1.00 53.31 C +ATOM 4034 NH1 ARG B 378 31.853 45.326 89.692 1.00 53.93 N +ATOM 4035 NH2 ARG B 378 32.025 44.012 87.853 1.00 54.30 N +ATOM 4036 N LYS B 379 32.085 48.662 83.679 1.00 41.14 N +ATOM 4037 CA LYS B 379 31.255 48.763 82.467 1.00 38.99 C +ATOM 4038 C LYS B 379 31.774 49.781 81.452 1.00 37.69 C +ATOM 4039 O LYS B 379 31.722 49.532 80.248 1.00 36.41 O +ATOM 4040 CB LYS B 379 29.883 49.215 82.927 1.00 39.15 C +ATOM 4041 CG LYS B 379 28.830 49.493 81.886 1.00 38.52 C +ATOM 4042 CD LYS B 379 27.660 50.251 82.487 1.00 37.35 C +ATOM 4043 CE LYS B 379 26.413 49.996 81.661 1.00 37.28 C +ATOM 4044 NZ LYS B 379 26.204 48.548 81.384 1.00 37.43 N +ATOM 4045 N THR B 380 32.195 50.937 81.963 1.00 35.32 N +ATOM 4046 CA THR B 380 32.544 52.067 81.140 1.00 34.97 C +ATOM 4047 C THR B 380 34.024 52.175 80.789 1.00 35.96 C +ATOM 4048 O THR B 380 34.376 52.826 79.783 1.00 34.88 O +ATOM 4049 CB THR B 380 32.177 53.455 81.754 1.00 32.63 C +ATOM 4050 OG1 THR B 380 33.026 53.713 82.873 1.00 30.26 O +ATOM 4051 CG2 THR B 380 30.700 53.548 82.104 1.00 29.33 C +ATOM 4052 N GLY B 381 34.853 51.613 81.667 1.00 34.90 N +ATOM 4053 CA GLY B 381 36.282 51.797 81.479 1.00 35.36 C +ATOM 4054 C GLY B 381 36.713 53.173 81.978 1.00 35.52 C +ATOM 4055 O GLY B 381 37.892 53.470 81.935 1.00 35.19 O +ATOM 4056 N TYR B 382 35.833 54.041 82.445 1.00 36.38 N +ATOM 4057 CA TYR B 382 36.094 55.359 82.956 1.00 36.36 C +ATOM 4058 C TYR B 382 36.391 55.329 84.457 1.00 38.52 C +ATOM 4059 O TYR B 382 35.872 54.557 85.275 1.00 36.55 O +ATOM 4060 CB TYR B 382 34.930 56.334 82.755 1.00 34.79 C +ATOM 4061 CG TYR B 382 34.498 56.553 81.330 1.00 33.14 C +ATOM 4062 CD1 TYR B 382 35.415 56.479 80.290 1.00 31.79 C +ATOM 4063 CD2 TYR B 382 33.195 56.915 81.020 1.00 34.57 C +ATOM 4064 CE1 TYR B 382 35.039 56.703 78.994 1.00 32.25 C +ATOM 4065 CE2 TYR B 382 32.785 57.141 79.699 1.00 34.70 C +ATOM 4066 CZ TYR B 382 33.724 57.010 78.684 1.00 33.75 C +ATOM 4067 OH TYR B 382 33.362 57.178 77.376 1.00 29.88 O +ATOM 4068 N THR B 383 37.372 56.144 84.806 1.00 41.99 N +ATOM 4069 CA THR B 383 37.775 56.221 86.208 1.00 46.35 C +ATOM 4070 C THR B 383 37.708 57.689 86.607 1.00 49.33 C +ATOM 4071 O THR B 383 37.576 58.560 85.743 1.00 49.72 O +ATOM 4072 CB THR B 383 39.285 55.934 86.238 1.00 46.95 C +ATOM 4073 OG1 THR B 383 39.705 56.559 85.008 1.00 46.88 O +ATOM 4074 CG2 THR B 383 39.651 54.484 86.298 1.00 47.19 C +ATOM 4075 N LEU B 384 38.005 57.882 87.889 1.00 52.45 N +ATOM 4076 CA LEU B 384 38.126 59.272 88.343 1.00 55.31 C +ATOM 4077 C LEU B 384 39.216 59.887 87.506 1.00 56.61 C +ATOM 4078 O LEU B 384 38.936 60.979 87.033 1.00 56.03 O +ATOM 4079 CB LEU B 384 38.241 59.350 89.851 1.00 55.24 C +ATOM 4080 CG LEU B 384 37.140 60.008 90.680 1.00 54.59 C +ATOM 4081 CD1 LEU B 384 35.816 60.125 89.955 1.00 54.46 C +ATOM 4082 CD2 LEU B 384 36.958 59.256 91.998 1.00 53.68 C +ATOM 4083 N GLU B 385 40.346 59.295 87.173 1.00 61.82 N +ATOM 4084 CA GLU B 385 41.335 59.934 86.300 1.00 65.85 C +ATOM 4085 C GLU B 385 40.811 60.280 84.913 1.00 63.25 C +ATOM 4086 O GLU B 385 41.075 61.361 84.376 1.00 63.34 O +ATOM 4087 CB GLU B 385 42.604 59.098 86.183 1.00 71.88 C +ATOM 4088 CG GLU B 385 43.834 59.825 85.680 1.00 78.89 C +ATOM 4089 CD GLU B 385 44.262 61.021 86.518 1.00 83.18 C +ATOM 4090 OE1 GLU B 385 45.183 61.730 86.017 1.00 85.77 O +ATOM 4091 OE2 GLU B 385 43.718 61.261 87.630 1.00 85.07 O +ATOM 4092 N SER B 386 40.024 59.415 84.278 1.00 59.81 N +ATOM 4093 CA SER B 386 39.467 59.756 82.976 1.00 55.67 C +ATOM 4094 C SER B 386 38.528 60.973 83.129 1.00 52.65 C +ATOM 4095 O SER B 386 38.479 61.831 82.251 1.00 50.27 O +ATOM 4096 CB SER B 386 38.566 58.731 82.299 1.00 55.50 C +ATOM 4097 OG SER B 386 38.545 57.404 82.670 1.00 55.41 O +ATOM 4098 N LEU B 387 37.660 60.936 84.146 1.00 49.56 N +ATOM 4099 CA LEU B 387 36.629 61.956 84.280 1.00 46.81 C +ATOM 4100 C LEU B 387 37.037 63.296 84.818 1.00 46.24 C +ATOM 4101 O LEU B 387 36.315 64.208 84.453 1.00 46.01 O +ATOM 4102 CB LEU B 387 35.446 61.417 85.088 1.00 43.57 C +ATOM 4103 CG LEU B 387 34.833 60.103 84.654 1.00 41.27 C +ATOM 4104 CD1 LEU B 387 33.924 59.529 85.727 1.00 40.31 C +ATOM 4105 CD2 LEU B 387 34.038 60.272 83.370 1.00 40.52 C +ATOM 4106 N LYS B 388 38.128 63.548 85.472 1.00 48.05 N +ATOM 4107 CA LYS B 388 38.582 64.794 86.034 1.00 50.43 C +ATOM 4108 C LYS B 388 38.486 66.026 85.164 1.00 49.63 C +ATOM 4109 O LYS B 388 37.918 67.029 85.617 1.00 49.89 O +ATOM 4110 CB LYS B 388 40.031 64.631 86.523 1.00 54.14 C +ATOM 4111 CG LYS B 388 40.547 65.810 87.347 1.00 57.04 C +ATOM 4112 CD LYS B 388 41.412 65.250 88.473 1.00 59.20 C +ATOM 4113 CE LYS B 388 42.256 66.305 89.147 1.00 61.00 C +ATOM 4114 NZ LYS B 388 43.716 66.099 88.990 1.00 62.95 N +ATOM 4115 N PRO B 389 39.045 66.009 83.970 1.00 47.52 N +ATOM 4116 CA PRO B 389 38.936 67.121 83.049 1.00 47.81 C +ATOM 4117 C PRO B 389 37.497 67.608 82.946 1.00 46.96 C +ATOM 4118 O PRO B 389 37.203 68.785 83.197 1.00 47.20 O +ATOM 4119 CB PRO B 389 39.530 66.588 81.755 1.00 48.63 C +ATOM 4120 CG PRO B 389 40.385 65.430 82.148 1.00 48.79 C +ATOM 4121 CD PRO B 389 39.790 64.872 83.403 1.00 48.31 C +ATOM 4122 N CYS B 390 36.533 66.740 82.661 1.00 44.38 N +ATOM 4123 CA CYS B 390 35.108 66.999 82.627 1.00 41.03 C +ATOM 4124 C CYS B 390 34.579 67.343 84.013 1.00 40.87 C +ATOM 4125 O CYS B 390 33.740 68.218 84.292 1.00 40.47 O +ATOM 4126 CB CYS B 390 34.404 65.748 82.029 1.00 37.66 C +ATOM 4127 SG CYS B 390 32.701 66.110 81.643 1.00 31.43 S +ATOM 4128 N LEU B 391 35.071 66.582 84.986 1.00 40.85 N +ATOM 4129 CA LEU B 391 34.700 66.835 86.380 1.00 44.51 C +ATOM 4130 C LEU B 391 35.090 68.232 86.870 1.00 44.40 C +ATOM 4131 O LEU B 391 34.205 68.917 87.385 1.00 44.64 O +ATOM 4132 CB LEU B 391 35.274 65.774 87.305 1.00 45.51 C +ATOM 4133 CG LEU B 391 34.272 65.106 88.270 1.00 45.76 C +ATOM 4134 CD1 LEU B 391 33.063 65.939 88.609 1.00 44.16 C +ATOM 4135 CD2 LEU B 391 33.932 63.762 87.643 1.00 45.81 C +ATOM 4136 N MET B 392 36.329 68.693 86.745 1.00 43.87 N +ATOM 4137 CA MET B 392 36.644 70.073 87.058 1.00 45.01 C +ATOM 4138 C MET B 392 35.697 71.091 86.398 1.00 44.77 C +ATOM 4139 O MET B 392 35.249 72.059 86.982 1.00 43.63 O +ATOM 4140 CB MET B 392 37.935 70.492 86.382 1.00 46.10 C +ATOM 4141 CG MET B 392 39.109 69.585 86.629 1.00 49.24 C +ATOM 4142 SD MET B 392 39.531 69.600 88.354 1.00 50.69 S +ATOM 4143 CE MET B 392 38.586 68.284 89.093 1.00 50.04 C +ATOM 4144 N ASP B 393 35.533 70.988 85.090 1.00 45.03 N +ATOM 4145 CA ASP B 393 34.670 71.896 84.351 1.00 44.96 C +ATOM 4146 C ASP B 393 33.271 71.854 84.932 1.00 43.27 C +ATOM 4147 O ASP B 393 32.769 72.849 85.444 1.00 43.58 O +ATOM 4148 CB ASP B 393 34.601 71.555 82.873 1.00 47.15 C +ATOM 4149 CG ASP B 393 35.555 72.286 81.968 1.00 50.21 C +ATOM 4150 OD1 ASP B 393 35.868 73.476 82.237 1.00 52.56 O +ATOM 4151 OD2 ASP B 393 35.955 71.633 80.976 1.00 51.12 O +ATOM 4152 N LEU B 394 32.567 70.717 84.897 1.00 41.23 N +ATOM 4153 CA LEU B 394 31.240 70.559 85.464 1.00 37.31 C +ATOM 4154 C LEU B 394 31.144 71.092 86.892 1.00 38.88 C +ATOM 4155 O LEU B 394 30.167 71.737 87.312 1.00 39.76 O +ATOM 4156 CB LEU B 394 30.776 69.144 85.417 1.00 32.93 C +ATOM 4157 CG LEU B 394 29.295 68.849 85.569 1.00 30.89 C +ATOM 4158 CD1 LEU B 394 28.427 69.592 84.555 1.00 32.44 C +ATOM 4159 CD2 LEU B 394 29.049 67.370 85.334 1.00 29.95 C +ATOM 4160 N HIS B 395 32.199 70.877 87.660 1.00 39.25 N +ATOM 4161 CA HIS B 395 32.252 71.482 88.981 1.00 41.40 C +ATOM 4162 C HIS B 395 32.248 73.007 88.947 1.00 40.68 C +ATOM 4163 O HIS B 395 31.378 73.549 89.653 1.00 38.83 O +ATOM 4164 CB HIS B 395 33.368 70.773 89.728 1.00 42.22 C +ATOM 4165 CG HIS B 395 33.346 71.277 91.131 1.00 42.74 C +ATOM 4166 ND1 HIS B 395 32.210 71.325 91.878 1.00 43.86 N +ATOM 4167 CD2 HIS B 395 34.357 71.756 91.876 1.00 44.27 C +ATOM 4168 CE1 HIS B 395 32.541 71.839 93.074 1.00 46.57 C +ATOM 4169 NE2 HIS B 395 33.833 72.116 93.099 1.00 45.88 N +ATOM 4170 N GLN B 396 32.981 73.746 88.143 1.00 41.79 N +ATOM 4171 CA GLN B 396 32.814 75.199 88.072 1.00 45.07 C +ATOM 4172 C GLN B 396 31.424 75.575 87.553 1.00 45.95 C +ATOM 4173 O GLN B 396 30.736 76.457 88.110 1.00 48.30 O +ATOM 4174 CB GLN B 396 33.974 75.805 87.303 1.00 45.46 C +ATOM 4175 CG GLN B 396 35.318 75.532 87.913 1.00 47.72 C +ATOM 4176 CD GLN B 396 35.532 76.069 89.324 1.00 50.14 C +ATOM 4177 OE1 GLN B 396 35.978 75.291 90.191 1.00 50.27 O +ATOM 4178 NE2 GLN B 396 35.230 77.350 89.578 1.00 49.68 N +ATOM 4179 N THR B 397 30.849 74.840 86.603 1.00 44.58 N +ATOM 4180 CA THR B 397 29.483 75.091 86.182 1.00 42.99 C +ATOM 4181 C THR B 397 28.558 74.940 87.379 1.00 45.17 C +ATOM 4182 O THR B 397 27.642 75.753 87.517 1.00 44.94 O +ATOM 4183 CB THR B 397 29.020 74.174 85.034 1.00 39.63 C +ATOM 4184 OG1 THR B 397 29.870 74.600 83.961 1.00 36.05 O +ATOM 4185 CG2 THR B 397 27.567 74.357 84.627 1.00 35.85 C +ATOM 4186 N TYR B 398 28.749 73.902 88.189 1.00 46.90 N +ATOM 4187 CA TYR B 398 27.830 73.798 89.330 1.00 49.59 C +ATOM 4188 C TYR B 398 27.975 74.996 90.248 1.00 51.35 C +ATOM 4189 O TYR B 398 26.985 75.633 90.608 1.00 51.02 O +ATOM 4190 CB TYR B 398 28.116 72.462 89.978 1.00 48.49 C +ATOM 4191 CG TYR B 398 27.062 72.037 90.959 1.00 46.51 C +ATOM 4192 CD1 TYR B 398 25.841 72.674 91.108 1.00 44.91 C +ATOM 4193 CD2 TYR B 398 27.378 70.913 91.722 1.00 45.82 C +ATOM 4194 CE1 TYR B 398 24.957 72.198 92.053 1.00 44.67 C +ATOM 4195 CE2 TYR B 398 26.465 70.450 92.657 1.00 45.67 C +ATOM 4196 CZ TYR B 398 25.262 71.102 92.820 1.00 44.55 C +ATOM 4197 OH TYR B 398 24.397 70.596 93.759 1.00 43.68 O +ATOM 4198 N LEU B 399 29.198 75.410 90.567 1.00 53.49 N +ATOM 4199 CA LEU B 399 29.414 76.569 91.421 1.00 55.28 C +ATOM 4200 C LEU B 399 28.821 77.880 90.917 1.00 55.29 C +ATOM 4201 O LEU B 399 28.348 78.699 91.696 1.00 54.36 O +ATOM 4202 CB LEU B 399 30.927 76.700 91.692 1.00 55.94 C +ATOM 4203 CG LEU B 399 31.521 75.633 92.617 1.00 56.59 C +ATOM 4204 CD1 LEU B 399 33.023 75.503 92.402 1.00 56.30 C +ATOM 4205 CD2 LEU B 399 31.186 75.905 94.069 1.00 56.24 C +ATOM 4206 N LYS B 400 28.876 78.207 89.642 1.00 55.04 N +ATOM 4207 CA LYS B 400 28.429 79.456 89.079 1.00 54.38 C +ATOM 4208 C LYS B 400 26.990 79.418 88.638 1.00 53.47 C +ATOM 4209 O LYS B 400 26.360 80.468 88.485 1.00 53.95 O +ATOM 4210 CB LYS B 400 29.385 79.803 87.934 1.00 56.84 C +ATOM 4211 CG LYS B 400 30.858 79.628 88.225 1.00 59.10 C +ATOM 4212 CD LYS B 400 31.607 80.900 88.553 1.00 61.50 C +ATOM 4213 CE LYS B 400 33.110 80.653 88.508 1.00 63.55 C +ATOM 4214 NZ LYS B 400 33.525 80.036 87.206 1.00 65.66 N +ATOM 4215 N ALA B 401 26.325 78.269 88.649 1.00 51.47 N +ATOM 4216 CA ALA B 401 24.949 78.095 88.262 1.00 50.14 C +ATOM 4217 C ALA B 401 24.103 79.281 88.654 1.00 51.55 C +ATOM 4218 O ALA B 401 23.522 79.925 87.770 1.00 50.27 O +ATOM 4219 CB ALA B 401 24.362 76.764 88.649 1.00 49.05 C +ATOM 4220 N PRO B 402 24.060 79.693 89.910 1.00 53.03 N +ATOM 4221 CA PRO B 402 23.287 80.853 90.303 1.00 53.58 C +ATOM 4222 C PRO B 402 23.611 82.153 89.591 1.00 53.06 C +ATOM 4223 O PRO B 402 22.692 82.999 89.575 1.00 52.32 O +ATOM 4224 CB PRO B 402 23.394 80.890 91.814 1.00 52.22 C +ATOM 4225 CG PRO B 402 23.764 79.510 92.227 1.00 52.41 C +ATOM 4226 CD PRO B 402 24.650 79.039 91.104 1.00 53.50 C +ATOM 4227 N GLN B 403 24.741 82.396 88.955 1.00 53.82 N +ATOM 4228 CA GLN B 403 25.027 83.649 88.275 1.00 55.47 C +ATOM 4229 C GLN B 403 25.046 83.588 86.753 1.00 54.63 C +ATOM 4230 O GLN B 403 25.425 84.516 86.047 1.00 55.75 O +ATOM 4231 CB GLN B 403 26.453 84.140 88.562 1.00 56.75 C +ATOM 4232 CG GLN B 403 26.816 84.479 89.973 1.00 57.97 C +ATOM 4233 CD GLN B 403 27.053 83.287 90.879 1.00 58.11 C +ATOM 4234 OE1 GLN B 403 26.148 82.997 91.667 1.00 58.78 O +ATOM 4235 NE2 GLN B 403 28.226 82.688 90.786 1.00 56.45 N +ATOM 4236 N HIS B 404 24.876 82.367 86.276 1.00 53.57 N +ATOM 4237 CA HIS B 404 24.868 82.091 84.866 1.00 50.89 C +ATOM 4238 C HIS B 404 23.856 83.045 84.261 1.00 49.31 C +ATOM 4239 O HIS B 404 22.754 83.131 84.840 1.00 47.99 O +ATOM 4240 CB HIS B 404 24.346 80.656 84.596 1.00 51.06 C +ATOM 4241 CG HIS B 404 24.729 80.349 83.168 1.00 49.45 C +ATOM 4242 ND1 HIS B 404 24.078 80.834 82.064 1.00 48.40 N +ATOM 4243 CD2 HIS B 404 25.792 79.644 82.720 1.00 48.57 C +ATOM 4244 CE1 HIS B 404 24.699 80.402 80.984 1.00 47.79 C +ATOM 4245 NE2 HIS B 404 25.740 79.685 81.348 1.00 47.67 N +ATOM 4246 N ALA B 405 24.140 83.593 83.089 1.00 48.65 N +ATOM 4247 CA ALA B 405 23.084 84.464 82.518 1.00 48.75 C +ATOM 4248 C ALA B 405 21.818 83.664 82.245 1.00 48.76 C +ATOM 4249 O ALA B 405 20.718 84.199 82.398 1.00 49.15 O +ATOM 4250 CB ALA B 405 23.577 85.169 81.291 1.00 49.67 C +ATOM 4251 N GLN B 406 21.952 82.397 81.855 1.00 46.28 N +ATOM 4252 CA GLN B 406 20.868 81.451 81.614 1.00 42.39 C +ATOM 4253 C GLN B 406 20.471 80.710 82.874 1.00 41.25 C +ATOM 4254 O GLN B 406 21.325 80.153 83.582 1.00 41.68 O +ATOM 4255 CB GLN B 406 21.390 80.554 80.482 1.00 41.63 C +ATOM 4256 CG GLN B 406 21.461 81.047 79.067 1.00 40.05 C +ATOM 4257 CD GLN B 406 22.020 82.411 78.763 1.00 40.62 C +ATOM 4258 OE1 GLN B 406 23.226 82.654 78.740 1.00 40.45 O +ATOM 4259 NE2 GLN B 406 21.159 83.401 78.487 1.00 39.67 N +ATOM 4260 N GLN B 407 19.209 80.684 83.283 1.00 40.99 N +ATOM 4261 CA GLN B 407 18.650 80.079 84.476 1.00 39.28 C +ATOM 4262 C GLN B 407 17.403 79.210 84.339 1.00 39.07 C +ATOM 4263 O GLN B 407 16.861 78.807 85.386 1.00 36.62 O +ATOM 4264 CB GLN B 407 18.170 81.178 85.446 1.00 39.72 C +ATOM 4265 CG GLN B 407 19.073 82.105 86.179 1.00 39.32 C +ATOM 4266 CD GLN B 407 20.135 81.419 87.029 1.00 41.54 C +ATOM 4267 OE1 GLN B 407 19.840 80.700 88.014 1.00 40.57 O +ATOM 4268 NE2 GLN B 407 21.386 81.682 86.585 1.00 39.31 N +ATOM 4269 N SER B 408 16.893 78.852 83.155 1.00 41.31 N +ATOM 4270 CA SER B 408 15.676 78.029 83.145 1.00 43.33 C +ATOM 4271 C SER B 408 15.944 76.619 83.637 1.00 44.87 C +ATOM 4272 O SER B 408 15.008 76.075 84.239 1.00 44.13 O +ATOM 4273 CB SER B 408 14.930 78.159 81.847 1.00 43.52 C +ATOM 4274 OG SER B 408 15.182 79.453 81.321 1.00 43.80 O +ATOM 4275 N ILE B 409 17.164 76.085 83.524 1.00 45.95 N +ATOM 4276 CA ILE B 409 17.438 74.765 84.103 1.00 46.62 C +ATOM 4277 C ILE B 409 17.306 74.878 85.618 1.00 47.06 C +ATOM 4278 O ILE B 409 16.521 74.155 86.259 1.00 46.06 O +ATOM 4279 CB ILE B 409 18.755 74.181 83.586 1.00 47.11 C +ATOM 4280 CG1 ILE B 409 18.779 74.287 82.062 1.00 47.01 C +ATOM 4281 CG2 ILE B 409 18.887 72.724 84.024 1.00 46.45 C +ATOM 4282 CD1 ILE B 409 19.896 73.623 81.295 1.00 46.98 C +ATOM 4283 N ARG B 410 17.918 75.873 86.255 1.00 47.44 N +ATOM 4284 CA ARG B 410 17.764 76.102 87.682 1.00 48.35 C +ATOM 4285 C ARG B 410 16.298 76.218 88.068 1.00 47.83 C +ATOM 4286 O ARG B 410 15.827 75.638 89.042 1.00 45.31 O +ATOM 4287 CB ARG B 410 18.559 77.334 88.167 1.00 49.60 C +ATOM 4288 CG ARG B 410 19.988 76.935 88.476 1.00 51.27 C +ATOM 4289 CD ARG B 410 20.934 77.812 89.207 1.00 53.40 C +ATOM 4290 NE ARG B 410 20.912 77.860 90.633 1.00 54.59 N +ATOM 4291 CZ ARG B 410 20.266 78.756 91.392 1.00 55.22 C +ATOM 4292 NH1 ARG B 410 20.370 78.635 92.711 1.00 55.64 N +ATOM 4293 NH2 ARG B 410 19.552 79.741 90.871 1.00 54.86 N +ATOM 4294 N GLU B 411 15.559 77.032 87.286 1.00 48.72 N +ATOM 4295 CA GLU B 411 14.149 77.219 87.635 1.00 48.30 C +ATOM 4296 C GLU B 411 13.491 75.848 87.678 1.00 44.60 C +ATOM 4297 O GLU B 411 12.982 75.399 88.703 1.00 42.36 O +ATOM 4298 CB GLU B 411 13.454 78.242 86.759 1.00 52.27 C +ATOM 4299 CG GLU B 411 14.057 79.625 86.588 1.00 56.08 C +ATOM 4300 CD GLU B 411 14.276 80.385 87.883 1.00 58.46 C +ATOM 4301 OE1 GLU B 411 13.410 80.102 88.760 1.00 59.23 O +ATOM 4302 OE2 GLU B 411 15.233 81.188 88.053 1.00 58.64 O +ATOM 4303 N LYS B 412 13.512 75.098 86.586 1.00 41.55 N +ATOM 4304 CA LYS B 412 12.913 73.791 86.420 1.00 37.61 C +ATOM 4305 C LYS B 412 13.210 72.756 87.495 1.00 37.74 C +ATOM 4306 O LYS B 412 12.414 71.905 87.897 1.00 36.65 O +ATOM 4307 CB LYS B 412 13.523 73.263 85.125 1.00 34.10 C +ATOM 4308 CG LYS B 412 12.957 72.045 84.443 1.00 30.30 C +ATOM 4309 CD LYS B 412 13.911 71.585 83.359 1.00 27.75 C +ATOM 4310 CE LYS B 412 13.535 70.231 82.786 1.00 25.06 C +ATOM 4311 NZ LYS B 412 13.929 70.303 81.374 1.00 23.56 N +ATOM 4312 N TYR B 413 14.443 72.741 87.964 1.00 38.21 N +ATOM 4313 CA TYR B 413 14.910 71.762 88.901 1.00 41.99 C +ATOM 4314 C TYR B 413 14.570 72.036 90.349 1.00 44.95 C +ATOM 4315 O TYR B 413 15.015 71.398 91.300 1.00 44.47 O +ATOM 4316 CB TYR B 413 16.408 71.468 88.697 1.00 41.14 C +ATOM 4317 CG TYR B 413 16.497 70.362 87.657 1.00 39.79 C +ATOM 4318 CD1 TYR B 413 16.648 70.793 86.345 1.00 40.61 C +ATOM 4319 CD2 TYR B 413 16.381 69.022 87.894 1.00 39.14 C +ATOM 4320 CE1 TYR B 413 16.704 69.876 85.307 1.00 39.63 C +ATOM 4321 CE2 TYR B 413 16.460 68.086 86.869 1.00 37.79 C +ATOM 4322 CZ TYR B 413 16.631 68.527 85.574 1.00 37.22 C +ATOM 4323 OH TYR B 413 16.718 67.763 84.455 1.00 33.23 O +ATOM 4324 N LYS B 414 13.736 73.030 90.509 1.00 49.13 N +ATOM 4325 CA LYS B 414 13.169 73.491 91.739 1.00 51.90 C +ATOM 4326 C LYS B 414 11.855 72.738 91.856 1.00 53.54 C +ATOM 4327 O LYS B 414 11.410 72.714 92.998 1.00 54.57 O +ATOM 4328 CB LYS B 414 12.910 74.992 91.804 1.00 52.23 C +ATOM 4329 CG LYS B 414 14.126 75.712 92.327 1.00 55.37 C +ATOM 4330 CD LYS B 414 14.160 77.179 92.034 1.00 57.56 C +ATOM 4331 CE LYS B 414 15.609 77.678 92.066 1.00 58.58 C +ATOM 4332 NZ LYS B 414 15.770 78.641 90.917 1.00 62.45 N +ATOM 4333 N ASN B 415 11.346 72.172 90.778 1.00 55.07 N +ATOM 4334 CA ASN B 415 10.070 71.483 91.008 1.00 58.54 C +ATOM 4335 C ASN B 415 10.301 70.162 91.706 1.00 58.74 C +ATOM 4336 O ASN B 415 11.306 69.484 91.673 1.00 58.46 O +ATOM 4337 CB ASN B 415 9.251 71.409 89.749 1.00 61.82 C +ATOM 4338 CG ASN B 415 8.077 70.478 89.681 1.00 63.87 C +ATOM 4339 OD1 ASN B 415 8.095 69.366 90.195 1.00 65.02 O +ATOM 4340 ND2 ASN B 415 6.991 70.869 89.028 1.00 64.34 N +ATOM 4341 N SER B 416 9.243 69.763 92.382 1.00 58.92 N +ATOM 4342 CA SER B 416 9.041 68.590 93.195 1.00 58.52 C +ATOM 4343 C SER B 416 9.447 67.326 92.452 1.00 56.75 C +ATOM 4344 O SER B 416 10.100 66.396 92.932 1.00 55.98 O +ATOM 4345 CB SER B 416 7.537 68.540 93.534 1.00 59.22 C +ATOM 4346 OG SER B 416 7.192 67.271 94.068 1.00 60.22 O +ATOM 4347 N LYS B 417 9.042 67.398 91.197 1.00 54.47 N +ATOM 4348 CA LYS B 417 9.302 66.399 90.179 1.00 54.17 C +ATOM 4349 C LYS B 417 10.774 66.083 90.168 1.00 52.03 C +ATOM 4350 O LYS B 417 10.992 64.869 90.102 1.00 53.01 O +ATOM 4351 CB LYS B 417 8.669 66.850 88.876 1.00 55.94 C +ATOM 4352 CG LYS B 417 8.560 65.912 87.711 1.00 57.25 C +ATOM 4353 CD LYS B 417 8.456 66.646 86.385 1.00 57.43 C +ATOM 4354 CE LYS B 417 8.187 65.735 85.207 1.00 58.43 C +ATOM 4355 NZ LYS B 417 6.844 65.083 85.219 1.00 59.93 N +ATOM 4356 N TYR B 418 11.755 66.948 90.332 1.00 50.34 N +ATOM 4357 CA TYR B 418 13.148 66.555 90.402 1.00 49.85 C +ATOM 4358 C TYR B 418 13.734 66.887 91.760 1.00 47.24 C +ATOM 4359 O TYR B 418 14.880 67.284 91.933 1.00 45.27 O +ATOM 4360 CB TYR B 418 14.044 67.187 89.321 1.00 52.51 C +ATOM 4361 CG TYR B 418 13.357 67.204 87.972 1.00 53.29 C +ATOM 4362 CD1 TYR B 418 13.534 66.182 87.057 1.00 53.92 C +ATOM 4363 CD2 TYR B 418 12.472 68.234 87.680 1.00 53.82 C +ATOM 4364 CE1 TYR B 418 12.858 66.203 85.858 1.00 54.24 C +ATOM 4365 CE2 TYR B 418 11.806 68.254 86.475 1.00 54.64 C +ATOM 4366 CZ TYR B 418 12.001 67.233 85.566 1.00 54.50 C +ATOM 4367 OH TYR B 418 11.325 67.265 84.361 1.00 54.29 O +ATOM 4368 N HIS B 419 12.882 66.645 92.753 1.00 46.55 N +ATOM 4369 CA HIS B 419 13.158 66.747 94.176 1.00 45.86 C +ATOM 4370 C HIS B 419 13.803 68.044 94.567 1.00 44.38 C +ATOM 4371 O HIS B 419 14.656 68.068 95.446 1.00 45.58 O +ATOM 4372 CB HIS B 419 14.076 65.559 94.626 1.00 46.53 C +ATOM 4373 CG HIS B 419 13.267 64.345 94.220 1.00 48.17 C +ATOM 4374 ND1 HIS B 419 13.277 63.918 92.903 1.00 48.23 N +ATOM 4375 CD2 HIS B 419 12.389 63.559 94.871 1.00 47.69 C +ATOM 4376 CE1 HIS B 419 12.453 62.911 92.753 1.00 48.26 C +ATOM 4377 NE2 HIS B 419 11.902 62.683 93.933 1.00 48.42 N +ATOM 4378 N GLY B 420 13.443 69.120 93.893 1.00 41.94 N +ATOM 4379 CA GLY B 420 13.971 70.439 94.060 1.00 39.36 C +ATOM 4380 C GLY B 420 15.468 70.432 94.182 1.00 39.37 C +ATOM 4381 O GLY B 420 15.942 71.387 94.794 1.00 40.76 O +ATOM 4382 N VAL B 421 16.289 69.617 93.557 1.00 38.54 N +ATOM 4383 CA VAL B 421 17.706 69.508 93.669 1.00 38.73 C +ATOM 4384 C VAL B 421 18.545 70.668 93.182 1.00 40.15 C +ATOM 4385 O VAL B 421 19.743 70.840 93.502 1.00 39.71 O +ATOM 4386 CB VAL B 421 18.267 68.270 92.938 1.00 39.84 C +ATOM 4387 CG1 VAL B 421 17.795 66.971 93.566 1.00 38.67 C +ATOM 4388 CG2 VAL B 421 17.936 68.292 91.443 1.00 40.29 C +ATOM 4389 N SER B 422 17.937 71.594 92.443 1.00 41.70 N +ATOM 4390 CA SER B 422 18.689 72.799 92.073 1.00 43.74 C +ATOM 4391 C SER B 422 18.802 73.597 93.384 1.00 44.09 C +ATOM 4392 O SER B 422 19.653 74.464 93.436 1.00 42.89 O +ATOM 4393 CB SER B 422 18.145 73.701 90.988 1.00 43.50 C +ATOM 4394 OG SER B 422 16.828 74.116 91.334 1.00 43.69 O +ATOM 4395 N LEU B 423 18.016 73.315 94.402 1.00 45.40 N +ATOM 4396 CA LEU B 423 18.160 73.915 95.705 1.00 48.16 C +ATOM 4397 C LEU B 423 19.238 73.273 96.580 1.00 49.83 C +ATOM 4398 O LEU B 423 19.558 73.969 97.563 1.00 50.39 O +ATOM 4399 CB LEU B 423 16.804 73.989 96.413 1.00 47.22 C +ATOM 4400 CG LEU B 423 15.822 74.954 95.735 1.00 47.14 C +ATOM 4401 CD1 LEU B 423 14.612 75.099 96.638 1.00 47.19 C +ATOM 4402 CD2 LEU B 423 16.450 76.308 95.424 1.00 45.21 C +ATOM 4403 N LEU B 424 19.879 72.152 96.289 1.00 49.35 N +ATOM 4404 CA LEU B 424 20.965 71.588 97.080 1.00 49.86 C +ATOM 4405 C LEU B 424 22.248 72.391 96.951 1.00 51.03 C +ATOM 4406 O LEU B 424 22.408 73.037 95.921 1.00 50.53 O +ATOM 4407 CB LEU B 424 21.196 70.136 96.620 1.00 47.78 C +ATOM 4408 CG LEU B 424 20.074 69.141 96.881 1.00 46.29 C +ATOM 4409 CD1 LEU B 424 20.339 67.866 96.102 1.00 47.09 C +ATOM 4410 CD2 LEU B 424 19.906 68.840 98.364 1.00 43.46 C +ATOM 4411 N ASN B 425 23.164 72.430 97.901 1.00 54.26 N +ATOM 4412 CA ASN B 425 24.409 73.210 97.780 1.00 56.64 C +ATOM 4413 C ASN B 425 25.547 72.406 97.161 1.00 58.22 C +ATOM 4414 O ASN B 425 25.904 71.330 97.652 1.00 56.50 O +ATOM 4415 CB ASN B 425 24.846 73.671 99.168 1.00 56.83 C +ATOM 4416 CG ASN B 425 24.126 74.810 99.799 1.00 58.26 C +ATOM 4417 OD1 ASN B 425 24.288 75.022 101.004 1.00 59.20 O +ATOM 4418 ND2 ASN B 425 23.349 75.618 99.093 1.00 59.29 N +ATOM 4419 N PRO B 426 26.152 72.904 96.099 1.00 60.60 N +ATOM 4420 CA PRO B 426 27.235 72.188 95.426 1.00 63.07 C +ATOM 4421 C PRO B 426 28.361 72.004 96.412 1.00 67.55 C +ATOM 4422 O PRO B 426 28.558 72.911 97.217 1.00 66.37 O +ATOM 4423 CB PRO B 426 27.660 73.100 94.298 1.00 61.40 C +ATOM 4424 CG PRO B 426 27.036 74.416 94.550 1.00 59.94 C +ATOM 4425 CD PRO B 426 25.843 74.190 95.450 1.00 59.90 C +ATOM 4426 N PRO B 427 29.082 70.903 96.330 1.00 72.96 N +ATOM 4427 CA PRO B 427 30.193 70.692 97.247 1.00 77.06 C +ATOM 4428 C PRO B 427 31.169 71.852 97.123 1.00 81.30 C +ATOM 4429 O PRO B 427 31.268 72.543 96.111 1.00 81.34 O +ATOM 4430 CB PRO B 427 30.802 69.369 96.861 1.00 76.22 C +ATOM 4431 CG PRO B 427 30.117 68.914 95.628 1.00 74.88 C +ATOM 4432 CD PRO B 427 28.949 69.817 95.351 1.00 73.72 C +ATOM 4433 N GLU B 428 31.863 72.061 98.231 1.00 86.87 N +ATOM 4434 CA GLU B 428 32.824 73.157 98.319 1.00 92.13 C +ATOM 4435 C GLU B 428 34.019 72.778 97.464 1.00 94.37 C +ATOM 4436 O GLU B 428 34.524 73.558 96.669 1.00 93.69 O +ATOM 4437 CB GLU B 428 33.168 73.411 99.770 1.00 93.99 C +ATOM 4438 CG GLU B 428 33.503 72.197 100.644 1.00 96.57 C +ATOM 4439 CD GLU B 428 34.611 72.590 101.620 1.00 98.00 C +ATOM 4440 OE1 GLU B 428 34.476 73.604 102.344 1.00 97.95 O +ATOM 4441 OE2 GLU B 428 35.652 71.894 101.653 1.00 97.86 O +ATOM 4442 N THR B 429 34.499 71.550 97.646 1.00 97.63 N +ATOM 4443 CA THR B 429 35.617 71.016 96.892 1.00101.43 C +ATOM 4444 C THR B 429 35.272 69.609 96.397 1.00104.41 C +ATOM 4445 O THR B 429 34.228 69.077 96.761 1.00104.00 O +ATOM 4446 CB THR B 429 36.918 70.891 97.694 1.00101.33 C +ATOM 4447 OG1 THR B 429 36.729 69.914 98.720 1.00100.47 O +ATOM 4448 CG2 THR B 429 37.377 72.174 98.359 1.00101.32 C +ATOM 4449 N LEU B 430 36.159 69.000 95.623 1.00109.51 N +ATOM 4450 CA LEU B 430 35.877 67.663 95.122 1.00115.05 C +ATOM 4451 C LEU B 430 36.752 66.558 95.668 1.00120.36 C +ATOM 4452 O LEU B 430 36.349 65.395 95.546 1.00120.26 O +ATOM 4453 CB LEU B 430 35.879 67.632 93.586 1.00113.69 C +ATOM 4454 CG LEU B 430 34.569 68.095 92.924 1.00113.18 C +ATOM 4455 CD1 LEU B 430 34.671 67.923 91.413 1.00112.35 C +ATOM 4456 CD2 LEU B 430 33.400 67.250 93.432 1.00112.64 C +ATOM 4457 N ASN B 431 37.907 66.828 96.250 1.00126.82 N +ATOM 4458 CA ASN B 431 38.734 65.770 96.815 1.00132.80 C +ATOM 4459 C ASN B 431 39.318 64.842 95.761 1.00136.61 C +ATOM 4460 O ASN B 431 39.402 63.627 95.931 1.00136.19 O +ATOM 4461 CB ASN B 431 37.957 64.959 97.863 1.00134.91 C +ATOM 4462 CG ASN B 431 37.873 65.692 99.190 1.00137.10 C +ATOM 4463 OD1 ASN B 431 36.799 65.950 99.732 1.00136.71 O +ATOM 4464 ND2 ASN B 431 39.043 66.035 99.721 1.00136.67 N +ATOM 4465 N LEU B 432 39.741 65.444 94.662 1.00139.51 N +ATOM 4466 CA LEU B 432 40.429 64.750 93.585 1.00141.01 C +ATOM 4467 C LEU B 432 41.841 65.362 93.574 1.00143.72 C +ATOM 4468 O LEU B 432 42.081 66.254 94.430 1.00142.67 O +ATOM 4469 CB LEU B 432 39.765 64.854 92.228 1.00142.83 C +ATOM 4470 CG LEU B 432 38.305 64.462 92.026 1.00145.28 C +ATOM 4471 CD1 LEU B 432 37.956 64.445 90.540 1.00143.31 C +ATOM 4472 CD2 LEU B 432 38.010 63.083 92.605 1.00143.39 C +TER 4473 LEU B 432 +ATOM 4474 N SER C 0 14.368 71.979 44.961 1.00 72.61 N +ATOM 4475 CA SER C 0 15.712 71.452 45.109 1.00 72.08 C +ATOM 4476 C SER C 0 16.743 72.593 45.181 1.00 71.69 C +ATOM 4477 O SER C 0 17.872 72.419 45.720 1.00 71.39 O +ATOM 4478 CB SER C 0 16.105 70.495 43.986 1.00 71.85 C +ATOM 4479 OG SER C 0 17.457 70.098 44.122 1.00 70.21 O +ATOM 4480 N MET C 1 16.565 73.538 44.250 1.00 69.93 N +ATOM 4481 CA MET C 1 17.266 74.807 44.465 1.00 68.74 C +ATOM 4482 C MET C 1 16.307 75.745 45.171 1.00 68.91 C +ATOM 4483 O MET C 1 16.678 76.869 45.488 1.00 69.16 O +ATOM 4484 CB MET C 1 17.911 75.302 43.179 1.00 66.77 C +ATOM 4485 CG MET C 1 18.913 74.343 42.567 1.00 64.78 C +ATOM 4486 SD MET C 1 20.467 74.219 43.455 1.00 60.89 S +ATOM 4487 CE MET C 1 21.026 75.917 43.313 1.00 61.50 C +ATOM 4488 N GLU C 2 15.151 75.247 45.609 1.00 69.60 N +ATOM 4489 CA GLU C 2 14.197 76.062 46.347 1.00 69.81 C +ATOM 4490 C GLU C 2 14.915 76.898 47.403 1.00 67.32 C +ATOM 4491 O GLU C 2 14.598 78.092 47.292 1.00 67.75 O +ATOM 4492 CB GLU C 2 12.993 75.320 46.936 1.00 73.65 C +ATOM 4493 CG GLU C 2 12.932 75.207 48.441 1.00 78.48 C +ATOM 4494 CD GLU C 2 11.888 74.404 49.175 1.00 80.00 C +ATOM 4495 OE1 GLU C 2 11.961 74.283 50.428 1.00 80.34 O +ATOM 4496 OE2 GLU C 2 10.943 73.889 48.530 1.00 81.15 O +ATOM 4497 N ASN C 3 15.777 76.481 48.317 1.00 63.27 N +ATOM 4498 CA ASN C 3 16.306 77.407 49.297 1.00 60.75 C +ATOM 4499 C ASN C 3 17.330 78.408 48.793 1.00 58.60 C +ATOM 4500 O ASN C 3 17.771 79.171 49.681 1.00 58.94 O +ATOM 4501 CB ASN C 3 16.920 76.698 50.538 1.00 60.54 C +ATOM 4502 CG ASN C 3 16.078 75.514 50.929 1.00 61.02 C +ATOM 4503 OD1 ASN C 3 15.010 75.664 51.516 1.00 61.68 O +ATOM 4504 ND2 ASN C 3 16.490 74.302 50.574 1.00 61.64 N +ATOM 4505 N PHE C 4 17.781 78.445 47.548 1.00 55.19 N +ATOM 4506 CA PHE C 4 18.785 79.436 47.206 1.00 54.35 C +ATOM 4507 C PHE C 4 18.247 80.639 46.462 1.00 55.32 C +ATOM 4508 O PHE C 4 17.466 80.440 45.541 1.00 54.43 O +ATOM 4509 CB PHE C 4 19.931 78.836 46.370 1.00 51.28 C +ATOM 4510 CG PHE C 4 20.785 77.989 47.263 1.00 46.98 C +ATOM 4511 CD1 PHE C 4 21.670 78.545 48.171 1.00 45.99 C +ATOM 4512 CD2 PHE C 4 20.632 76.628 47.178 1.00 45.09 C +ATOM 4513 CE1 PHE C 4 22.429 77.724 48.995 1.00 44.24 C +ATOM 4514 CE2 PHE C 4 21.371 75.806 47.999 1.00 43.90 C +ATOM 4515 CZ PHE C 4 22.252 76.360 48.905 1.00 44.50 C +ATOM 4516 N GLN C 5 18.632 81.845 46.825 1.00 59.05 N +ATOM 4517 CA GLN C 5 18.200 83.007 46.072 1.00 63.74 C +ATOM 4518 C GLN C 5 19.427 83.449 45.267 1.00 66.30 C +ATOM 4519 O GLN C 5 20.473 83.670 45.878 1.00 65.78 O +ATOM 4520 CB GLN C 5 17.766 84.241 46.832 1.00 66.11 C +ATOM 4521 CG GLN C 5 17.054 85.251 45.911 1.00 69.66 C +ATOM 4522 CD GLN C 5 15.590 85.036 46.281 1.00 72.51 C +ATOM 4523 OE1 GLN C 5 15.155 85.705 47.226 1.00 73.96 O +ATOM 4524 NE2 GLN C 5 14.932 84.107 45.600 1.00 73.69 N +ATOM 4525 N LYS C 6 19.245 83.547 43.955 1.00 69.90 N +ATOM 4526 CA LYS C 6 20.405 84.017 43.165 1.00 73.10 C +ATOM 4527 C LYS C 6 20.422 85.526 43.286 1.00 74.62 C +ATOM 4528 O LYS C 6 19.380 86.156 43.321 1.00 73.75 O +ATOM 4529 CB LYS C 6 20.460 83.395 41.783 1.00 73.14 C +ATOM 4530 CG LYS C 6 20.828 81.922 42.004 1.00 74.32 C +ATOM 4531 CD LYS C 6 21.468 81.233 40.816 1.00 74.47 C +ATOM 4532 CE LYS C 6 21.319 79.732 41.059 1.00 74.48 C +ATOM 4533 NZ LYS C 6 19.921 79.401 41.504 1.00 75.60 N +ATOM 4534 N VAL C 7 21.595 86.061 43.595 1.00 77.22 N +ATOM 4535 CA VAL C 7 21.714 87.490 43.880 1.00 79.65 C +ATOM 4536 C VAL C 7 22.271 88.274 42.710 1.00 81.55 C +ATOM 4537 O VAL C 7 21.681 89.286 42.313 1.00 82.11 O +ATOM 4538 CB VAL C 7 22.511 87.643 45.183 1.00 79.44 C +ATOM 4539 CG1 VAL C 7 22.753 89.093 45.564 1.00 79.67 C +ATOM 4540 CG2 VAL C 7 21.775 86.944 46.321 1.00 79.51 C +ATOM 4541 N GLU C 8 23.369 87.816 42.138 1.00 81.54 N +ATOM 4542 CA GLU C 8 23.983 88.475 40.986 1.00 81.38 C +ATOM 4543 C GLU C 8 24.974 87.495 40.370 1.00 80.35 C +ATOM 4544 O GLU C 8 25.494 86.680 41.132 1.00 80.00 O +ATOM 4545 CB GLU C 8 24.671 89.762 41.419 1.00 82.44 C +ATOM 4546 CG GLU C 8 26.084 89.658 41.931 1.00 82.84 C +ATOM 4547 CD GLU C 8 26.486 90.496 43.120 1.00 82.59 C +ATOM 4548 OE1 GLU C 8 25.800 91.465 43.499 1.00 82.43 O +ATOM 4549 OE2 GLU C 8 27.550 90.241 43.730 1.00 82.04 O +ATOM 4550 N LYS C 9 25.186 87.516 39.072 1.00 78.81 N +ATOM 4551 CA LYS C 9 26.192 86.660 38.450 1.00 77.40 C +ATOM 4552 C LYS C 9 27.584 87.206 38.788 1.00 75.44 C +ATOM 4553 O LYS C 9 27.769 88.428 38.765 1.00 75.68 O +ATOM 4554 CB LYS C 9 26.047 86.655 36.919 1.00 78.81 C +ATOM 4555 CG LYS C 9 27.168 85.858 36.290 1.00 79.71 C +ATOM 4556 CD LYS C 9 27.724 86.328 34.977 1.00 80.20 C +ATOM 4557 CE LYS C 9 27.241 85.451 33.834 1.00 81.24 C +ATOM 4558 NZ LYS C 9 25.769 85.237 33.919 1.00 80.65 N +ATOM 4559 N ILE C 10 28.579 86.397 39.095 1.00 72.39 N +ATOM 4560 CA ILE C 10 29.898 86.899 39.448 1.00 70.04 C +ATOM 4561 C ILE C 10 30.932 86.842 38.335 1.00 70.14 C +ATOM 4562 O ILE C 10 31.820 87.688 38.261 1.00 70.69 O +ATOM 4563 CB ILE C 10 30.458 86.071 40.633 1.00 68.14 C +ATOM 4564 CG1 ILE C 10 29.583 86.331 41.858 1.00 66.83 C +ATOM 4565 CG2 ILE C 10 31.931 86.328 40.902 1.00 67.52 C +ATOM 4566 CD1 ILE C 10 30.034 85.589 43.084 1.00 65.61 C +ATOM 4567 N GLY C 11 30.914 85.812 37.517 1.00 69.04 N +ATOM 4568 CA GLY C 11 31.850 85.537 36.468 1.00 68.13 C +ATOM 4569 C GLY C 11 31.836 84.079 36.030 1.00 68.59 C +ATOM 4570 O GLY C 11 30.977 83.276 36.355 1.00 67.66 O +ATOM 4571 N GLU C 12 32.793 83.762 35.152 1.00 68.87 N +ATOM 4572 CA GLU C 12 32.998 82.466 34.547 1.00 68.41 C +ATOM 4573 C GLU C 12 34.478 82.106 34.554 1.00 66.70 C +ATOM 4574 O GLU C 12 35.265 82.916 34.089 1.00 67.27 O +ATOM 4575 CB GLU C 12 32.545 82.439 33.080 1.00 71.14 C +ATOM 4576 CG GLU C 12 31.791 83.655 32.612 1.00 73.64 C +ATOM 4577 CD GLU C 12 30.851 83.550 31.438 1.00 74.63 C +ATOM 4578 OE1 GLU C 12 31.161 82.816 30.473 1.00 75.21 O +ATOM 4579 OE2 GLU C 12 29.790 84.227 31.518 1.00 76.26 O +ATOM 4580 N GLY C 13 34.880 80.976 35.103 1.00 64.97 N +ATOM 4581 CA GLY C 13 36.256 80.531 35.091 1.00 62.01 C +ATOM 4582 C GLY C 13 36.455 79.457 34.014 1.00 60.31 C +ATOM 4583 O GLY C 13 35.767 79.315 32.995 1.00 59.91 O +ATOM 4584 N THR C 14 37.374 78.535 34.275 1.00 58.28 N +ATOM 4585 CA THR C 14 37.727 77.480 33.346 1.00 57.33 C +ATOM 4586 C THR C 14 36.567 76.649 32.855 1.00 57.32 C +ATOM 4587 O THR C 14 36.599 76.215 31.681 1.00 56.40 O +ATOM 4588 CB THR C 14 38.977 76.748 33.832 1.00 56.87 C +ATOM 4589 OG1 THR C 14 38.898 75.356 33.583 1.00 54.71 O +ATOM 4590 CG2 THR C 14 39.330 77.127 35.264 1.00 57.60 C +ATOM 4591 N TYR C 15 35.500 76.511 33.642 1.00 57.18 N +ATOM 4592 CA TYR C 15 34.250 75.915 33.209 1.00 57.24 C +ATOM 4593 C TYR C 15 33.086 76.502 34.012 1.00 56.78 C +ATOM 4594 O TYR C 15 33.259 77.163 35.029 1.00 55.84 O +ATOM 4595 CB TYR C 15 34.249 74.397 33.256 1.00 57.89 C +ATOM 4596 CG TYR C 15 34.132 73.798 34.641 1.00 58.46 C +ATOM 4597 CD1 TYR C 15 35.153 73.974 35.564 1.00 59.03 C +ATOM 4598 CD2 TYR C 15 33.009 73.079 35.031 1.00 59.08 C +ATOM 4599 CE1 TYR C 15 35.080 73.421 36.829 1.00 59.46 C +ATOM 4600 CE2 TYR C 15 32.940 72.545 36.297 1.00 59.31 C +ATOM 4601 CZ TYR C 15 33.967 72.710 37.205 1.00 58.89 C +ATOM 4602 OH TYR C 15 33.840 72.167 38.461 1.00 57.22 O +ATOM 4603 N GLY C 16 31.865 76.226 33.553 1.00 56.41 N +ATOM 4604 CA GLY C 16 30.618 76.634 34.149 1.00 55.04 C +ATOM 4605 C GLY C 16 30.496 78.098 34.524 1.00 55.07 C +ATOM 4606 O GLY C 16 31.395 78.869 34.177 1.00 55.90 O +ATOM 4607 N VAL C 17 29.443 78.537 35.225 1.00 53.62 N +ATOM 4608 CA VAL C 17 29.248 79.897 35.696 1.00 52.63 C +ATOM 4609 C VAL C 17 29.044 80.016 37.208 1.00 52.67 C +ATOM 4610 O VAL C 17 28.352 79.235 37.859 1.00 50.58 O +ATOM 4611 CB VAL C 17 27.965 80.562 35.134 1.00 52.40 C +ATOM 4612 CG1 VAL C 17 27.924 82.047 35.402 1.00 51.35 C +ATOM 4613 CG2 VAL C 17 27.846 80.290 33.646 1.00 52.65 C +ATOM 4614 N VAL C 18 29.590 81.080 37.809 1.00 53.59 N +ATOM 4615 CA VAL C 18 29.487 81.405 39.223 1.00 52.24 C +ATOM 4616 C VAL C 18 28.686 82.643 39.611 1.00 53.86 C +ATOM 4617 O VAL C 18 29.013 83.754 39.205 1.00 53.27 O +ATOM 4618 CB VAL C 18 30.905 81.632 39.789 1.00 49.65 C +ATOM 4619 CG1 VAL C 18 30.832 82.068 41.248 1.00 49.58 C +ATOM 4620 CG2 VAL C 18 31.722 80.380 39.638 1.00 46.35 C +ATOM 4621 N TYR C 19 27.734 82.518 40.538 1.00 55.09 N +ATOM 4622 CA TYR C 19 26.847 83.529 41.069 1.00 55.26 C +ATOM 4623 C TYR C 19 26.902 83.835 42.555 1.00 53.15 C +ATOM 4624 O TYR C 19 27.164 82.868 43.283 1.00 51.38 O +ATOM 4625 CB TYR C 19 25.437 82.841 41.113 1.00 58.84 C +ATOM 4626 CG TYR C 19 24.970 82.554 39.718 1.00 61.31 C +ATOM 4627 CD1 TYR C 19 25.367 81.448 38.986 1.00 62.94 C +ATOM 4628 CD2 TYR C 19 24.103 83.480 39.157 1.00 62.92 C +ATOM 4629 CE1 TYR C 19 24.907 81.274 37.699 1.00 64.52 C +ATOM 4630 CE2 TYR C 19 23.638 83.327 37.866 1.00 64.54 C +ATOM 4631 CZ TYR C 19 24.050 82.219 37.151 1.00 65.43 C +ATOM 4632 OH TYR C 19 23.585 82.049 35.862 1.00 66.73 O +ATOM 4633 N LYS C 20 26.520 85.000 43.062 1.00 52.46 N +ATOM 4634 CA LYS C 20 26.456 85.136 44.541 1.00 51.48 C +ATOM 4635 C LYS C 20 25.082 84.574 44.916 1.00 50.40 C +ATOM 4636 O LYS C 20 24.188 84.890 44.125 1.00 50.55 O +ATOM 4637 CB LYS C 20 26.592 86.558 44.989 1.00 50.99 C +ATOM 4638 CG LYS C 20 26.498 87.041 46.404 1.00 51.12 C +ATOM 4639 CD LYS C 20 27.026 88.459 46.580 1.00 51.56 C +ATOM 4640 CE LYS C 20 26.536 89.156 47.839 1.00 52.45 C +ATOM 4641 NZ LYS C 20 25.525 90.234 47.584 1.00 52.91 N +ATOM 4642 N ALA C 21 24.908 83.778 45.961 1.00 48.48 N +ATOM 4643 CA ALA C 21 23.561 83.358 46.325 1.00 48.13 C +ATOM 4644 C ALA C 21 23.424 83.331 47.860 1.00 47.40 C +ATOM 4645 O ALA C 21 24.388 83.327 48.594 1.00 45.92 O +ATOM 4646 CB ALA C 21 23.096 82.064 45.714 1.00 46.55 C +ATOM 4647 N ARG C 22 22.188 83.412 48.279 1.00 47.42 N +ATOM 4648 CA ARG C 22 21.600 83.353 49.557 1.00 49.71 C +ATOM 4649 C ARG C 22 20.725 82.117 49.867 1.00 47.68 C +ATOM 4650 O ARG C 22 19.743 81.806 49.216 1.00 42.77 O +ATOM 4651 CB ARG C 22 20.572 84.481 49.724 1.00 54.46 C +ATOM 4652 CG ARG C 22 21.106 85.795 50.236 1.00 58.98 C +ATOM 4653 CD ARG C 22 19.994 86.750 50.652 1.00 62.33 C +ATOM 4654 NE ARG C 22 19.092 86.133 51.598 1.00 64.93 N +ATOM 4655 CZ ARG C 22 17.843 85.713 51.406 1.00 66.14 C +ATOM 4656 NH1 ARG C 22 17.258 85.855 50.215 1.00 67.67 N +ATOM 4657 NH2 ARG C 22 17.167 85.162 52.429 1.00 67.12 N +ATOM 4658 N ASN C 23 21.075 81.510 50.999 1.00 48.36 N +ATOM 4659 CA ASN C 23 20.310 80.417 51.586 1.00 48.53 C +ATOM 4660 C ASN C 23 19.163 81.115 52.346 1.00 47.88 C +ATOM 4661 O ASN C 23 19.438 81.872 53.269 1.00 45.55 O +ATOM 4662 CB ASN C 23 21.064 79.527 52.574 1.00 48.29 C +ATOM 4663 CG ASN C 23 20.249 78.289 52.935 1.00 47.81 C +ATOM 4664 OD1 ASN C 23 19.032 78.384 53.168 1.00 45.98 O +ATOM 4665 ND2 ASN C 23 20.884 77.116 52.968 1.00 46.20 N +ATOM 4666 N LYS C 24 17.947 80.823 51.921 1.00 48.36 N +ATOM 4667 CA LYS C 24 16.819 81.481 52.555 1.00 50.93 C +ATOM 4668 C LYS C 24 16.428 80.933 53.910 1.00 50.36 C +ATOM 4669 O LYS C 24 15.775 81.690 54.654 1.00 50.87 O +ATOM 4670 CB LYS C 24 15.617 81.518 51.614 1.00 54.08 C +ATOM 4671 CG LYS C 24 15.990 82.332 50.368 1.00 57.00 C +ATOM 4672 CD LYS C 24 14.886 82.250 49.334 1.00 59.14 C +ATOM 4673 CE LYS C 24 14.656 80.867 48.758 1.00 59.99 C +ATOM 4674 NZ LYS C 24 13.453 80.836 47.880 1.00 60.69 N +ATOM 4675 N LEU C 25 16.853 79.722 54.247 1.00 48.69 N +ATOM 4676 CA LEU C 25 16.463 79.270 55.588 1.00 47.06 C +ATOM 4677 C LEU C 25 17.402 79.790 56.649 1.00 45.41 C +ATOM 4678 O LEU C 25 16.995 80.252 57.708 1.00 43.33 O +ATOM 4679 CB LEU C 25 16.328 77.753 55.490 1.00 46.58 C +ATOM 4680 CG LEU C 25 15.034 77.443 54.705 1.00 46.26 C +ATOM 4681 CD1 LEU C 25 15.019 75.967 54.386 1.00 46.06 C +ATOM 4682 CD2 LEU C 25 13.817 77.867 55.516 1.00 45.92 C +ATOM 4683 N THR C 26 18.663 79.705 56.300 1.00 45.44 N +ATOM 4684 CA THR C 26 19.805 80.028 57.101 1.00 46.85 C +ATOM 4685 C THR C 26 20.432 81.400 56.931 1.00 46.30 C +ATOM 4686 O THR C 26 21.032 81.829 57.917 1.00 46.43 O +ATOM 4687 CB THR C 26 20.951 79.018 56.756 1.00 48.81 C +ATOM 4688 OG1 THR C 26 21.579 79.322 55.492 1.00 49.65 O +ATOM 4689 CG2 THR C 26 20.409 77.594 56.710 1.00 49.41 C +ATOM 4690 N GLY C 27 20.407 82.041 55.775 1.00 45.38 N +ATOM 4691 CA GLY C 27 21.140 83.299 55.643 1.00 44.92 C +ATOM 4692 C GLY C 27 22.488 83.035 54.975 1.00 44.93 C +ATOM 4693 O GLY C 27 23.031 84.035 54.536 1.00 45.68 O +ATOM 4694 N GLU C 28 23.048 81.845 54.845 1.00 44.59 N +ATOM 4695 CA GLU C 28 24.357 81.753 54.230 1.00 44.20 C +ATOM 4696 C GLU C 28 24.330 82.381 52.846 1.00 44.34 C +ATOM 4697 O GLU C 28 23.407 82.291 52.044 1.00 42.73 O +ATOM 4698 CB GLU C 28 24.788 80.296 54.226 1.00 43.98 C +ATOM 4699 CG GLU C 28 26.287 80.050 54.232 1.00 43.44 C +ATOM 4700 CD GLU C 28 26.536 78.545 54.103 1.00 43.40 C +ATOM 4701 OE1 GLU C 28 25.536 77.872 53.744 1.00 42.41 O +ATOM 4702 OE2 GLU C 28 27.702 78.211 54.389 1.00 42.67 O +ATOM 4703 N VAL C 29 25.425 83.113 52.604 1.00 45.28 N +ATOM 4704 CA VAL C 29 25.707 83.698 51.304 1.00 43.79 C +ATOM 4705 C VAL C 29 26.820 82.771 50.822 1.00 43.07 C +ATOM 4706 O VAL C 29 27.743 82.409 51.550 1.00 43.77 O +ATOM 4707 CB VAL C 29 26.118 85.149 51.225 1.00 45.11 C +ATOM 4708 CG1 VAL C 29 26.463 85.526 49.767 1.00 45.08 C +ATOM 4709 CG2 VAL C 29 24.972 86.037 51.725 1.00 44.02 C +ATOM 4710 N VAL C 30 26.566 82.228 49.655 1.00 41.15 N +ATOM 4711 CA VAL C 30 27.419 81.212 49.080 1.00 41.58 C +ATOM 4712 C VAL C 30 27.759 81.545 47.625 1.00 43.09 C +ATOM 4713 O VAL C 30 27.324 82.560 47.099 1.00 42.93 O +ATOM 4714 CB VAL C 30 26.667 79.859 49.157 1.00 40.40 C +ATOM 4715 CG1 VAL C 30 26.175 79.491 50.543 1.00 39.52 C +ATOM 4716 CG2 VAL C 30 25.502 79.801 48.173 1.00 37.86 C +ATOM 4717 N ALA C 31 28.605 80.777 46.976 1.00 43.11 N +ATOM 4718 CA ALA C 31 28.909 80.987 45.577 1.00 45.53 C +ATOM 4719 C ALA C 31 28.508 79.697 44.833 1.00 46.74 C +ATOM 4720 O ALA C 31 29.129 78.632 45.068 1.00 46.16 O +ATOM 4721 CB ALA C 31 30.375 81.323 45.318 1.00 45.08 C +ATOM 4722 N LEU C 32 27.460 79.825 44.025 1.00 46.46 N +ATOM 4723 CA LEU C 32 27.103 78.637 43.255 1.00 49.36 C +ATOM 4724 C LEU C 32 27.824 78.641 41.903 1.00 52.51 C +ATOM 4725 O LEU C 32 27.844 79.608 41.152 1.00 52.52 O +ATOM 4726 CB LEU C 32 25.616 78.515 43.018 1.00 48.32 C +ATOM 4727 CG LEU C 32 24.646 78.467 44.184 1.00 48.20 C +ATOM 4728 CD1 LEU C 32 23.270 78.893 43.677 1.00 47.53 C +ATOM 4729 CD2 LEU C 32 24.549 77.097 44.841 1.00 46.90 C +ATOM 4730 N LYS C 33 28.425 77.510 41.587 1.00 56.43 N +ATOM 4731 CA LYS C 33 29.049 77.202 40.321 1.00 59.91 C +ATOM 4732 C LYS C 33 28.110 76.206 39.597 1.00 64.24 C +ATOM 4733 O LYS C 33 28.043 75.019 39.902 1.00 62.29 O +ATOM 4734 CB LYS C 33 30.410 76.548 40.448 1.00 58.51 C +ATOM 4735 CG LYS C 33 31.382 76.687 39.284 1.00 56.47 C +ATOM 4736 CD LYS C 33 32.235 75.446 39.144 1.00 55.38 C +ATOM 4737 CE LYS C 33 33.667 75.706 38.751 1.00 55.59 C +ATOM 4738 NZ LYS C 33 34.475 76.179 39.903 1.00 55.52 N +ATOM 4739 N LYS C 34 27.382 76.764 38.655 1.00 70.77 N +ATOM 4740 CA LYS C 34 26.415 76.086 37.819 1.00 77.95 C +ATOM 4741 C LYS C 34 27.028 75.455 36.580 1.00 84.10 C +ATOM 4742 O LYS C 34 27.642 76.125 35.751 1.00 84.10 O +ATOM 4743 CB LYS C 34 25.384 77.155 37.463 1.00 77.64 C +ATOM 4744 CG LYS C 34 24.105 76.662 36.859 1.00 78.56 C +ATOM 4745 CD LYS C 34 24.024 76.965 35.371 1.00 79.40 C +ATOM 4746 CE LYS C 34 22.537 76.974 35.015 1.00 80.26 C +ATOM 4747 NZ LYS C 34 21.742 77.660 36.088 1.00 81.10 N +ATOM 4748 N ILE C 35 26.896 74.142 36.461 1.00 92.19 N +ATOM 4749 CA ILE C 35 27.427 73.313 35.395 1.00100.59 C +ATOM 4750 C ILE C 35 26.343 72.593 34.602 1.00108.65 C +ATOM 4751 O ILE C 35 25.809 71.554 34.973 1.00108.38 O +ATOM 4752 CB ILE C 35 28.424 72.304 35.990 1.00 99.23 C +ATOM 4753 CG1 ILE C 35 29.659 73.091 36.453 1.00 99.08 C +ATOM 4754 CG2 ILE C 35 28.859 71.206 35.054 1.00 98.53 C +ATOM 4755 CD1 ILE C 35 30.000 72.736 37.883 1.00 98.35 C +ATOM 4756 N ARG C 36 26.044 73.196 33.447 1.00119.98 N +ATOM 4757 CA ARG C 36 25.049 72.680 32.532 1.00130.64 C +ATOM 4758 C ARG C 36 25.440 71.246 32.179 1.00135.03 C +ATOM 4759 O ARG C 36 26.534 71.047 31.649 1.00135.85 O +ATOM 4760 CB ARG C 36 24.931 73.472 31.230 1.00134.47 C +ATOM 4761 CG ARG C 36 25.015 74.968 31.438 1.00138.87 C +ATOM 4762 CD ARG C 36 24.009 75.761 30.610 1.00143.02 C +ATOM 4763 NE ARG C 36 23.737 77.002 31.321 1.00145.90 N +ATOM 4764 CZ ARG C 36 22.899 77.979 31.044 1.00147.37 C +ATOM 4765 NH1 ARG C 36 22.126 77.934 29.968 1.00148.37 N +ATOM 4766 NH2 ARG C 36 22.840 79.022 31.872 1.00148.50 N +ATOM 4767 N LEU C 37 24.569 70.315 32.554 1.00140.99 N +ATOM 4768 CA LEU C 37 24.916 68.946 32.149 1.00146.14 C +ATOM 4769 C LEU C 37 24.367 68.843 30.726 1.00148.83 C +ATOM 4770 O LEU C 37 23.613 69.690 30.248 1.00149.19 O +ATOM 4771 CB LEU C 37 24.482 67.834 33.076 1.00146.95 C +ATOM 4772 CG LEU C 37 25.225 67.804 34.443 1.00147.85 C +ATOM 4773 CD1 LEU C 37 24.502 66.763 35.349 1.00147.93 C +ATOM 4774 CD2 LEU C 37 26.646 67.220 34.190 1.00147.75 C +ATOM 4775 N ASP C 38 24.868 67.828 30.045 1.00151.85 N +ATOM 4776 CA ASP C 38 24.499 67.607 28.657 1.00154.20 C +ATOM 4777 C ASP C 38 24.362 66.110 28.412 1.00153.83 C +ATOM 4778 O ASP C 38 25.359 65.491 28.042 1.00154.05 O +ATOM 4779 CB ASP C 38 25.568 68.161 27.739 1.00156.02 C +ATOM 4780 CG ASP C 38 25.608 69.614 27.352 1.00157.14 C +ATOM 4781 OD1 ASP C 38 24.641 70.390 27.516 1.00157.59 O +ATOM 4782 OD2 ASP C 38 26.686 70.004 26.829 1.00157.61 O +ATOM 4783 N THR C 39 23.173 65.571 28.642 1.00153.32 N +ATOM 4784 CA THR C 39 23.010 64.141 28.364 1.00152.40 C +ATOM 4785 C THR C 39 23.189 63.993 26.871 1.00150.25 C +ATOM 4786 O THR C 39 22.861 64.882 26.086 1.00149.98 O +ATOM 4787 CB THR C 39 21.643 63.667 28.855 1.00153.12 C +ATOM 4788 OG1 THR C 39 21.135 64.690 29.733 1.00153.72 O +ATOM 4789 CG2 THR C 39 21.768 62.358 29.633 1.00154.33 C +ATOM 4790 N GLU C 40 23.651 62.849 26.421 1.00146.45 N +ATOM 4791 CA GLU C 40 23.906 62.466 25.054 1.00142.36 C +ATOM 4792 C GLU C 40 24.739 63.426 24.224 1.00136.24 C +ATOM 4793 O GLU C 40 24.484 63.762 23.085 1.00135.87 O +ATOM 4794 CB GLU C 40 22.689 62.052 24.293 1.00145.19 C +ATOM 4795 CG GLU C 40 21.308 62.539 24.553 1.00148.16 C +ATOM 4796 CD GLU C 40 20.996 63.798 23.788 1.00149.98 C +ATOM 4797 OE1 GLU C 40 21.758 64.771 23.900 1.00149.95 O +ATOM 4798 OE2 GLU C 40 19.969 63.818 23.091 1.00150.41 O +ATOM 4799 N THR C 41 25.851 63.763 24.818 1.00127.51 N +ATOM 4800 CA THR C 41 26.950 64.573 24.341 1.00118.56 C +ATOM 4801 C THR C 41 28.118 63.864 25.044 1.00110.70 C +ATOM 4802 O THR C 41 28.246 62.653 24.849 1.00109.02 O +ATOM 4803 CB THR C 41 26.812 66.039 24.733 1.00119.85 C +ATOM 4804 OG1 THR C 41 25.476 66.542 24.584 1.00119.33 O +ATOM 4805 CG2 THR C 41 27.735 66.892 23.877 1.00119.92 C +ATOM 4806 N GLU C 42 28.814 64.514 25.963 1.00101.75 N +ATOM 4807 CA GLU C 42 29.852 63.807 26.694 1.00 92.64 C +ATOM 4808 C GLU C 42 29.495 63.569 28.153 1.00 84.08 C +ATOM 4809 O GLU C 42 30.320 62.949 28.803 1.00 82.26 O +ATOM 4810 CB GLU C 42 31.211 64.507 26.610 1.00 94.77 C +ATOM 4811 CG GLU C 42 32.374 63.534 26.369 1.00 95.88 C +ATOM 4812 CD GLU C 42 32.205 62.813 25.037 1.00 96.08 C +ATOM 4813 OE1 GLU C 42 32.676 61.679 24.872 1.00 95.95 O +ATOM 4814 OE2 GLU C 42 31.558 63.385 24.134 1.00 96.98 O +ATOM 4815 N GLY C 43 28.331 63.969 28.629 1.00 75.94 N +ATOM 4816 CA GLY C 43 27.957 63.759 30.012 1.00 66.27 C +ATOM 4817 C GLY C 43 28.573 64.809 30.928 1.00 59.30 C +ATOM 4818 O GLY C 43 28.707 65.977 30.574 1.00 56.81 O +ATOM 4819 N VAL C 44 28.956 64.331 32.106 1.00 54.27 N +ATOM 4820 CA VAL C 44 29.546 65.162 33.148 1.00 49.80 C +ATOM 4821 C VAL C 44 30.978 65.468 32.758 1.00 48.23 C +ATOM 4822 O VAL C 44 31.732 64.543 32.538 1.00 49.26 O +ATOM 4823 CB VAL C 44 29.542 64.490 34.534 1.00 47.90 C +ATOM 4824 CG1 VAL C 44 29.970 65.437 35.641 1.00 46.04 C +ATOM 4825 CG2 VAL C 44 28.193 63.858 34.852 1.00 46.99 C +ATOM 4826 N PRO C 45 31.322 66.720 32.554 1.00 47.32 N +ATOM 4827 CA PRO C 45 32.670 67.062 32.153 1.00 48.59 C +ATOM 4828 C PRO C 45 33.671 66.555 33.181 1.00 50.19 C +ATOM 4829 O PRO C 45 33.424 66.581 34.403 1.00 49.89 O +ATOM 4830 CB PRO C 45 32.682 68.583 32.098 1.00 47.49 C +ATOM 4831 CG PRO C 45 31.465 69.032 32.797 1.00 46.40 C +ATOM 4832 CD PRO C 45 30.474 67.909 32.755 1.00 46.54 C +ATOM 4833 N SER C 46 34.864 66.196 32.697 1.00 50.57 N +ATOM 4834 CA SER C 46 35.932 65.754 33.577 1.00 50.24 C +ATOM 4835 C SER C 46 36.425 66.926 34.422 1.00 48.99 C +ATOM 4836 O SER C 46 36.780 66.795 35.612 1.00 50.43 O +ATOM 4837 CB SER C 46 37.110 65.158 32.796 1.00 50.60 C +ATOM 4838 OG SER C 46 37.659 66.197 32.013 1.00 50.85 O +ATOM 4839 N THR C 47 36.344 68.124 33.911 1.00 46.57 N +ATOM 4840 CA THR C 47 36.788 69.290 34.677 1.00 46.59 C +ATOM 4841 C THR C 47 36.084 69.366 36.031 1.00 45.88 C +ATOM 4842 O THR C 47 36.700 69.767 37.005 1.00 43.58 O +ATOM 4843 CB THR C 47 36.599 70.538 33.808 1.00 45.80 C +ATOM 4844 OG1 THR C 47 35.926 71.538 34.532 1.00 46.36 O +ATOM 4845 CG2 THR C 47 35.608 70.273 32.675 1.00 47.35 C +ATOM 4846 N ALA C 48 34.799 69.042 36.079 1.00 46.98 N +ATOM 4847 CA ALA C 48 33.937 69.033 37.246 1.00 46.72 C +ATOM 4848 C ALA C 48 34.222 67.744 38.018 1.00 45.81 C +ATOM 4849 O ALA C 48 34.629 67.794 39.194 1.00 44.45 O +ATOM 4850 CB ALA C 48 32.497 69.268 36.817 1.00 46.23 C +ATOM 4851 N ILE C 49 34.280 66.594 37.348 1.00 44.80 N +ATOM 4852 CA ILE C 49 34.697 65.386 38.023 1.00 45.56 C +ATOM 4853 C ILE C 49 35.971 65.594 38.832 1.00 47.62 C +ATOM 4854 O ILE C 49 36.107 65.023 39.928 1.00 49.85 O +ATOM 4855 CB ILE C 49 34.916 64.275 37.001 1.00 44.94 C +ATOM 4856 CG1 ILE C 49 33.545 63.747 36.590 1.00 44.44 C +ATOM 4857 CG2 ILE C 49 35.754 63.121 37.531 1.00 46.12 C +ATOM 4858 CD1 ILE C 49 33.648 62.945 35.307 1.00 44.37 C +ATOM 4859 N ARG C 50 36.986 66.284 38.311 1.00 47.08 N +ATOM 4860 CA ARG C 50 38.229 66.481 39.024 1.00 44.99 C +ATOM 4861 C ARG C 50 38.134 67.482 40.146 1.00 44.80 C +ATOM 4862 O ARG C 50 38.498 67.285 41.313 1.00 43.59 O +ATOM 4863 CB ARG C 50 39.276 66.935 37.988 1.00 44.50 C +ATOM 4864 CG ARG C 50 39.596 65.700 37.102 1.00 42.12 C +ATOM 4865 CD ARG C 50 40.655 66.050 36.115 1.00 40.65 C +ATOM 4866 NE ARG C 50 41.287 65.011 35.321 1.00 37.88 N +ATOM 4867 CZ ARG C 50 42.226 65.418 34.452 1.00 38.34 C +ATOM 4868 NH1 ARG C 50 42.587 66.700 34.275 1.00 39.07 N +ATOM 4869 NH2 ARG C 50 42.870 64.532 33.714 1.00 37.25 N +ATOM 4870 N GLU C 51 37.572 68.637 39.749 1.00 44.85 N +ATOM 4871 CA GLU C 51 37.366 69.680 40.733 1.00 42.83 C +ATOM 4872 C GLU C 51 36.567 69.172 41.941 1.00 42.85 C +ATOM 4873 O GLU C 51 36.895 69.569 43.054 1.00 43.04 O +ATOM 4874 CB GLU C 51 36.579 70.851 40.146 1.00 41.88 C +ATOM 4875 CG GLU C 51 36.764 71.951 41.174 1.00 43.98 C +ATOM 4876 CD GLU C 51 36.241 73.314 40.850 1.00 44.67 C +ATOM 4877 OE1 GLU C 51 35.555 73.397 39.819 1.00 45.68 O +ATOM 4878 OE2 GLU C 51 36.540 74.275 41.609 1.00 44.59 O +ATOM 4879 N ILE C 52 35.505 68.397 41.729 1.00 41.53 N +ATOM 4880 CA ILE C 52 34.645 67.941 42.787 1.00 40.59 C +ATOM 4881 C ILE C 52 35.317 66.913 43.693 1.00 39.40 C +ATOM 4882 O ILE C 52 35.354 67.125 44.902 1.00 37.05 O +ATOM 4883 CB ILE C 52 33.228 67.480 42.335 1.00 38.74 C +ATOM 4884 CG1 ILE C 52 32.476 68.660 41.713 1.00 39.12 C +ATOM 4885 CG2 ILE C 52 32.494 66.968 43.581 1.00 36.03 C +ATOM 4886 CD1 ILE C 52 31.313 68.423 40.787 1.00 37.29 C +ATOM 4887 N SER C 53 35.889 65.855 43.169 1.00 39.75 N +ATOM 4888 CA SER C 53 36.504 64.836 44.013 1.00 41.96 C +ATOM 4889 C SER C 53 37.756 65.344 44.721 1.00 43.47 C +ATOM 4890 O SER C 53 37.927 65.022 45.891 1.00 45.37 O +ATOM 4891 CB SER C 53 36.931 63.669 43.112 1.00 40.35 C +ATOM 4892 OG SER C 53 38.033 64.190 42.386 1.00 39.69 O +ATOM 4893 N LEU C 54 38.577 66.105 44.000 1.00 44.59 N +ATOM 4894 CA LEU C 54 39.785 66.675 44.553 1.00 46.41 C +ATOM 4895 C LEU C 54 39.481 67.757 45.574 1.00 46.97 C +ATOM 4896 O LEU C 54 40.030 67.592 46.666 1.00 46.12 O +ATOM 4897 CB LEU C 54 40.783 67.155 43.532 1.00 47.12 C +ATOM 4898 CG LEU C 54 41.364 66.311 42.410 1.00 48.31 C +ATOM 4899 CD1 LEU C 54 42.409 67.207 41.726 1.00 48.38 C +ATOM 4900 CD2 LEU C 54 41.958 64.968 42.821 1.00 48.84 C +ATOM 4901 N LEU C 55 38.599 68.718 45.408 1.00 47.97 N +ATOM 4902 CA LEU C 55 38.277 69.702 46.438 1.00 48.63 C +ATOM 4903 C LEU C 55 37.510 69.174 47.645 1.00 49.82 C +ATOM 4904 O LEU C 55 37.339 69.786 48.699 1.00 49.09 O +ATOM 4905 CB LEU C 55 37.457 70.751 45.710 1.00 47.31 C +ATOM 4906 CG LEU C 55 37.583 72.218 46.048 1.00 46.63 C +ATOM 4907 CD1 LEU C 55 39.046 72.585 46.147 1.00 44.68 C +ATOM 4908 CD2 LEU C 55 36.826 73.005 44.971 1.00 47.02 C +ATOM 4909 N LYS C 56 37.001 67.961 47.577 1.00 52.15 N +ATOM 4910 CA LYS C 56 36.346 67.264 48.673 1.00 55.13 C +ATOM 4911 C LYS C 56 37.447 66.685 49.569 1.00 55.93 C +ATOM 4912 O LYS C 56 37.271 66.478 50.767 1.00 56.42 O +ATOM 4913 CB LYS C 56 35.322 66.217 48.224 1.00 54.41 C +ATOM 4914 CG LYS C 56 34.100 66.868 47.574 1.00 52.91 C +ATOM 4915 CD LYS C 56 33.008 65.902 47.198 1.00 52.14 C +ATOM 4916 CE LYS C 56 32.278 65.399 48.435 1.00 52.33 C +ATOM 4917 NZ LYS C 56 31.820 63.988 48.293 1.00 53.41 N +ATOM 4918 N GLU C 57 38.628 66.474 49.038 1.00 56.40 N +ATOM 4919 CA GLU C 57 39.770 66.032 49.785 1.00 57.84 C +ATOM 4920 C GLU C 57 40.538 67.180 50.427 1.00 59.28 C +ATOM 4921 O GLU C 57 41.021 67.010 51.546 1.00 59.96 O +ATOM 4922 CB GLU C 57 40.807 65.357 48.863 1.00 57.60 C +ATOM 4923 CG GLU C 57 40.475 63.898 48.742 1.00 57.88 C +ATOM 4924 CD GLU C 57 41.445 63.107 47.904 1.00 57.53 C +ATOM 4925 OE1 GLU C 57 42.657 63.363 47.881 1.00 57.61 O +ATOM 4926 OE2 GLU C 57 40.970 62.143 47.271 1.00 57.24 O +ATOM 4927 N LEU C 58 40.746 68.277 49.718 1.00 60.75 N +ATOM 4928 CA LEU C 58 41.557 69.346 50.322 1.00 62.33 C +ATOM 4929 C LEU C 58 40.692 70.107 51.302 1.00 62.20 C +ATOM 4930 O LEU C 58 39.729 70.661 50.763 1.00 62.44 O +ATOM 4931 CB LEU C 58 42.071 70.300 49.259 1.00 63.36 C +ATOM 4932 CG LEU C 58 42.666 69.688 47.999 1.00 64.52 C +ATOM 4933 CD1 LEU C 58 43.490 70.699 47.204 1.00 64.51 C +ATOM 4934 CD2 LEU C 58 43.520 68.467 48.320 1.00 64.45 C +ATOM 4935 N ASN C 59 40.996 70.167 52.575 1.00 61.85 N +ATOM 4936 CA ASN C 59 39.959 70.961 53.327 1.00 61.78 C +ATOM 4937 C ASN C 59 40.754 71.830 54.244 1.00 59.10 C +ATOM 4938 O ASN C 59 41.146 71.383 55.288 1.00 58.38 O +ATOM 4939 CB ASN C 59 39.027 69.852 53.797 1.00 65.27 C +ATOM 4940 CG ASN C 59 38.344 70.314 55.060 1.00 68.64 C +ATOM 4941 OD1 ASN C 59 38.428 69.656 56.093 1.00 69.89 O +ATOM 4942 ND2 ASN C 59 37.737 71.488 54.913 1.00 68.51 N +ATOM 4943 N HIS C 60 41.217 72.968 53.741 1.00 57.65 N +ATOM 4944 CA HIS C 60 42.200 73.789 54.466 1.00 56.25 C +ATOM 4945 C HIS C 60 41.729 75.216 54.515 1.00 54.94 C +ATOM 4946 O HIS C 60 40.956 75.595 53.643 1.00 55.33 O +ATOM 4947 CB HIS C 60 43.520 73.630 53.690 1.00 55.74 C +ATOM 4948 CG HIS C 60 44.690 74.441 54.145 1.00 55.15 C +ATOM 4949 ND1 HIS C 60 45.843 73.900 54.676 1.00 54.62 N +ATOM 4950 CD2 HIS C 60 44.869 75.786 54.138 1.00 54.56 C +ATOM 4951 CE1 HIS C 60 46.673 74.871 55.002 1.00 54.19 C +ATOM 4952 NE2 HIS C 60 46.087 76.006 54.703 1.00 54.60 N +ATOM 4953 N PRO C 61 42.135 75.999 55.495 1.00 54.54 N +ATOM 4954 CA PRO C 61 41.719 77.385 55.654 1.00 54.20 C +ATOM 4955 C PRO C 61 41.976 78.311 54.484 1.00 53.13 C +ATOM 4956 O PRO C 61 41.259 79.306 54.364 1.00 53.43 O +ATOM 4957 CB PRO C 61 42.441 77.882 56.901 1.00 54.24 C +ATOM 4958 CG PRO C 61 43.525 76.880 57.152 1.00 54.58 C +ATOM 4959 CD PRO C 61 43.003 75.565 56.633 1.00 54.67 C +ATOM 4960 N ASN C 62 42.957 78.003 53.651 1.00 51.24 N +ATOM 4961 CA ASN C 62 43.278 78.667 52.426 1.00 49.56 C +ATOM 4962 C ASN C 62 42.878 77.932 51.160 1.00 49.82 C +ATOM 4963 O ASN C 62 43.353 78.353 50.078 1.00 51.66 O +ATOM 4964 CB ASN C 62 44.791 78.994 52.427 1.00 48.83 C +ATOM 4965 CG ASN C 62 44.945 80.017 53.540 1.00 47.57 C +ATOM 4966 OD1 ASN C 62 45.530 79.814 54.585 1.00 47.35 O +ATOM 4967 ND2 ASN C 62 44.302 81.172 53.463 1.00 47.91 N +ATOM 4968 N ILE C 63 42.070 76.886 51.181 1.00 46.38 N +ATOM 4969 CA ILE C 63 41.611 76.270 49.936 1.00 45.73 C +ATOM 4970 C ILE C 63 40.106 76.522 49.864 1.00 46.55 C +ATOM 4971 O ILE C 63 39.441 76.149 50.837 1.00 47.24 O +ATOM 4972 CB ILE C 63 41.886 74.783 49.879 1.00 45.00 C +ATOM 4973 CG1 ILE C 63 43.391 74.524 50.010 1.00 43.63 C +ATOM 4974 CG2 ILE C 63 41.312 74.257 48.576 1.00 46.37 C +ATOM 4975 CD1 ILE C 63 43.834 73.160 49.569 1.00 41.36 C +ATOM 4976 N VAL C 64 39.523 77.240 48.908 1.00 46.18 N +ATOM 4977 CA VAL C 64 38.093 77.509 49.029 1.00 44.56 C +ATOM 4978 C VAL C 64 37.278 76.292 49.445 1.00 43.23 C +ATOM 4979 O VAL C 64 37.523 75.181 48.993 1.00 40.61 O +ATOM 4980 CB VAL C 64 37.543 78.038 47.704 1.00 44.61 C +ATOM 4981 CG1 VAL C 64 36.123 78.531 47.934 1.00 44.93 C +ATOM 4982 CG2 VAL C 64 38.503 79.144 47.329 1.00 45.14 C +ATOM 4983 N LYS C 65 36.234 76.523 50.241 1.00 42.45 N +ATOM 4984 CA LYS C 65 35.432 75.409 50.696 1.00 42.47 C +ATOM 4985 C LYS C 65 34.259 75.003 49.828 1.00 41.06 C +ATOM 4986 O LYS C 65 33.345 75.780 49.604 1.00 42.23 O +ATOM 4987 CB LYS C 65 34.909 75.881 52.052 1.00 43.58 C +ATOM 4988 CG LYS C 65 34.570 74.742 52.996 1.00 45.36 C +ATOM 4989 CD LYS C 65 33.939 75.433 54.212 1.00 48.05 C +ATOM 4990 CE LYS C 65 34.488 74.953 55.533 1.00 48.92 C +ATOM 4991 NZ LYS C 65 33.678 73.809 56.043 1.00 50.07 N +ATOM 4992 N LEU C 66 34.172 73.766 49.417 1.00 39.92 N +ATOM 4993 CA LEU C 66 33.073 73.187 48.666 1.00 39.50 C +ATOM 4994 C LEU C 66 32.003 72.760 49.671 1.00 39.53 C +ATOM 4995 O LEU C 66 32.249 71.854 50.458 1.00 37.41 O +ATOM 4996 CB LEU C 66 33.536 71.950 47.893 1.00 38.75 C +ATOM 4997 CG LEU C 66 32.397 71.355 47.059 1.00 39.02 C +ATOM 4998 CD1 LEU C 66 31.892 72.393 46.073 1.00 38.98 C +ATOM 4999 CD2 LEU C 66 32.862 70.101 46.338 1.00 38.81 C +ATOM 5000 N LEU C 67 30.882 73.471 49.754 1.00 40.68 N +ATOM 5001 CA LEU C 67 29.886 73.157 50.769 1.00 41.62 C +ATOM 5002 C LEU C 67 28.963 72.009 50.390 1.00 43.74 C +ATOM 5003 O LEU C 67 28.713 71.091 51.188 1.00 43.51 O +ATOM 5004 CB LEU C 67 29.124 74.411 51.182 1.00 39.41 C +ATOM 5005 CG LEU C 67 29.893 75.616 51.717 1.00 38.74 C +ATOM 5006 CD1 LEU C 67 28.998 76.857 51.827 1.00 36.63 C +ATOM 5007 CD2 LEU C 67 30.489 75.341 53.089 1.00 38.03 C +ATOM 5008 N ASP C 68 28.509 71.912 49.157 1.00 46.60 N +ATOM 5009 CA ASP C 68 27.555 70.880 48.739 1.00 47.40 C +ATOM 5010 C ASP C 68 27.603 70.640 47.243 1.00 48.51 C +ATOM 5011 O ASP C 68 28.123 71.512 46.564 1.00 44.07 O +ATOM 5012 CB ASP C 68 26.202 71.508 49.132 1.00 45.67 C +ATOM 5013 CG ASP C 68 25.060 70.522 49.170 1.00 46.11 C +ATOM 5014 OD1 ASP C 68 25.253 69.307 48.912 1.00 46.47 O +ATOM 5015 OD2 ASP C 68 23.918 70.935 49.462 1.00 45.00 O +ATOM 5016 N VAL C 69 27.103 69.545 46.713 1.00 53.76 N +ATOM 5017 CA VAL C 69 27.061 69.326 45.270 1.00 60.10 C +ATOM 5018 C VAL C 69 25.608 69.047 44.914 1.00 65.80 C +ATOM 5019 O VAL C 69 25.261 67.917 45.251 1.00 66.52 O +ATOM 5020 CB VAL C 69 27.956 68.168 44.810 1.00 58.49 C +ATOM 5021 CG1 VAL C 69 27.678 67.818 43.359 1.00 58.62 C +ATOM 5022 CG2 VAL C 69 29.423 68.526 44.978 1.00 57.95 C +ATOM 5023 N ILE C 70 24.784 69.923 44.370 1.00 73.93 N +ATOM 5024 CA ILE C 70 23.387 69.459 44.138 1.00 82.63 C +ATOM 5025 C ILE C 70 23.357 68.752 42.803 1.00 90.38 C +ATOM 5026 O ILE C 70 23.779 69.318 41.794 1.00 90.10 O +ATOM 5027 CB ILE C 70 22.458 70.625 44.449 1.00 81.41 C +ATOM 5028 CG1 ILE C 70 22.645 70.971 45.943 1.00 81.25 C +ATOM 5029 CG2 ILE C 70 21.016 70.273 44.166 1.00 80.92 C +ATOM 5030 CD1 ILE C 70 22.484 72.437 46.242 1.00 80.76 C +ATOM 5031 N HIS C 71 23.033 67.459 42.795 1.00 99.90 N +ATOM 5032 CA HIS C 71 23.140 66.640 41.601 1.00109.08 C +ATOM 5033 C HIS C 71 21.885 66.319 40.814 1.00113.91 C +ATOM 5034 O HIS C 71 21.342 65.216 40.880 1.00114.32 O +ATOM 5035 CB HIS C 71 23.815 65.293 41.946 1.00111.98 C +ATOM 5036 CG HIS C 71 24.625 64.760 40.811 1.00114.68 C +ATOM 5037 ND1 HIS C 71 25.091 63.471 40.757 1.00115.67 N +ATOM 5038 CD2 HIS C 71 25.049 65.344 39.665 1.00115.47 C +ATOM 5039 CE1 HIS C 71 25.778 63.298 39.635 1.00116.25 C +ATOM 5040 NE2 HIS C 71 25.777 64.428 38.953 1.00116.08 N +ATOM 5041 N THR C 72 21.515 67.277 39.981 1.00119.02 N +ATOM 5042 CA THR C 72 20.362 67.132 39.098 1.00123.54 C +ATOM 5043 C THR C 72 20.710 66.338 37.849 1.00125.55 C +ATOM 5044 O THR C 72 21.830 65.913 37.579 1.00125.37 O +ATOM 5045 CB THR C 72 19.839 68.548 38.804 1.00124.17 C +ATOM 5046 OG1 THR C 72 19.820 69.236 40.073 1.00124.58 O +ATOM 5047 CG2 THR C 72 18.446 68.561 38.235 1.00124.31 C +ATOM 5048 N GLU C 73 19.683 66.083 37.061 1.00127.97 N +ATOM 5049 CA GLU C 73 19.687 65.344 35.808 1.00129.34 C +ATOM 5050 C GLU C 73 20.199 66.228 34.679 1.00126.63 C +ATOM 5051 O GLU C 73 20.988 65.888 33.820 1.00126.56 O +ATOM 5052 CB GLU C 73 18.227 64.950 35.579 1.00132.79 C +ATOM 5053 CG GLU C 73 17.826 64.127 34.390 1.00136.37 C +ATOM 5054 CD GLU C 73 16.329 64.024 34.156 1.00138.21 C +ATOM 5055 OE1 GLU C 73 15.792 64.886 33.420 1.00139.11 O +ATOM 5056 OE2 GLU C 73 15.667 63.100 34.677 1.00138.64 O +ATOM 5057 N ASN C 74 19.716 67.458 34.726 1.00122.77 N +ATOM 5058 CA ASN C 74 19.925 68.571 33.839 1.00118.00 C +ATOM 5059 C ASN C 74 21.165 69.405 34.162 1.00111.02 C +ATOM 5060 O ASN C 74 22.050 69.634 33.347 1.00110.69 O +ATOM 5061 CB ASN C 74 18.747 69.545 33.970 1.00121.20 C +ATOM 5062 CG ASN C 74 17.424 69.051 34.491 1.00122.61 C +ATOM 5063 OD1 ASN C 74 17.129 69.023 35.690 1.00123.30 O +ATOM 5064 ND2 ASN C 74 16.562 68.683 33.535 1.00124.10 N +ATOM 5065 N LYS C 75 21.146 69.963 35.377 1.00101.92 N +ATOM 5066 CA LYS C 75 22.256 70.765 35.843 1.00 92.13 C +ATOM 5067 C LYS C 75 22.902 70.087 37.063 1.00 82.57 C +ATOM 5068 O LYS C 75 22.389 69.245 37.762 1.00 80.45 O +ATOM 5069 CB LYS C 75 21.961 72.176 36.307 1.00 94.22 C +ATOM 5070 CG LYS C 75 21.161 73.112 35.445 1.00 96.21 C +ATOM 5071 CD LYS C 75 19.677 72.815 35.581 1.00 98.22 C +ATOM 5072 CE LYS C 75 18.764 73.987 35.297 1.00 98.67 C +ATOM 5073 NZ LYS C 75 18.408 74.760 36.519 1.00 98.46 N +ATOM 5074 N LEU C 76 24.091 70.599 37.309 1.00 71.92 N +ATOM 5075 CA LEU C 76 24.885 70.200 38.465 1.00 61.92 C +ATOM 5076 C LEU C 76 25.334 71.491 39.141 1.00 58.62 C +ATOM 5077 O LEU C 76 25.730 72.440 38.457 1.00 57.25 O +ATOM 5078 CB LEU C 76 26.003 69.315 38.009 1.00 57.05 C +ATOM 5079 CG LEU C 76 27.181 68.959 38.868 1.00 52.96 C +ATOM 5080 CD1 LEU C 76 26.783 67.963 39.944 1.00 52.62 C +ATOM 5081 CD2 LEU C 76 28.304 68.351 38.056 1.00 51.87 C +ATOM 5082 N TYR C 77 25.051 71.656 40.453 1.00 54.38 N +ATOM 5083 CA TYR C 77 25.455 72.862 41.135 1.00 49.83 C +ATOM 5084 C TYR C 77 26.562 72.617 42.134 1.00 46.57 C +ATOM 5085 O TYR C 77 26.368 71.747 42.960 1.00 44.10 O +ATOM 5086 CB TYR C 77 24.384 73.495 42.061 1.00 51.09 C +ATOM 5087 CG TYR C 77 23.446 74.180 41.098 1.00 52.00 C +ATOM 5088 CD1 TYR C 77 23.443 75.547 40.957 1.00 53.32 C +ATOM 5089 CD2 TYR C 77 22.653 73.383 40.287 1.00 50.95 C +ATOM 5090 CE1 TYR C 77 22.598 76.118 40.014 1.00 54.10 C +ATOM 5091 CE2 TYR C 77 21.819 73.951 39.364 1.00 52.24 C +ATOM 5092 CZ TYR C 77 21.791 75.318 39.235 1.00 53.03 C +ATOM 5093 OH TYR C 77 20.980 75.941 38.316 1.00 52.83 O +ATOM 5094 N LEU C 78 27.539 73.511 42.154 1.00 44.51 N +ATOM 5095 CA LEU C 78 28.553 73.388 43.208 1.00 42.01 C +ATOM 5096 C LEU C 78 28.208 74.414 44.271 1.00 40.81 C +ATOM 5097 O LEU C 78 27.937 75.556 43.856 1.00 40.44 O +ATOM 5098 CB LEU C 78 29.951 73.649 42.677 1.00 42.22 C +ATOM 5099 CG LEU C 78 30.570 72.876 41.533 1.00 39.59 C +ATOM 5100 CD1 LEU C 78 32.082 72.962 41.504 1.00 38.82 C +ATOM 5101 CD2 LEU C 78 30.165 71.430 41.615 1.00 40.04 C +ATOM 5102 N VAL C 79 28.149 74.078 45.548 1.00 40.90 N +ATOM 5103 CA VAL C 79 27.812 75.125 46.545 1.00 39.43 C +ATOM 5104 C VAL C 79 29.118 75.467 47.261 1.00 37.62 C +ATOM 5105 O VAL C 79 29.706 74.577 47.835 1.00 33.44 O +ATOM 5106 CB VAL C 79 26.686 74.760 47.520 1.00 39.91 C +ATOM 5107 CG1 VAL C 79 26.349 75.921 48.439 1.00 39.45 C +ATOM 5108 CG2 VAL C 79 25.397 74.325 46.828 1.00 40.35 C +ATOM 5109 N PHE C 80 29.647 76.681 47.158 1.00 38.55 N +ATOM 5110 CA PHE C 80 30.898 77.019 47.805 1.00 37.63 C +ATOM 5111 C PHE C 80 30.704 78.122 48.849 1.00 38.56 C +ATOM 5112 O PHE C 80 29.844 78.989 48.717 1.00 36.92 O +ATOM 5113 CB PHE C 80 31.979 77.669 46.923 1.00 36.29 C +ATOM 5114 CG PHE C 80 32.531 76.771 45.856 1.00 36.39 C +ATOM 5115 CD1 PHE C 80 31.905 76.704 44.624 1.00 35.00 C +ATOM 5116 CD2 PHE C 80 33.668 76.003 46.085 1.00 35.43 C +ATOM 5117 CE1 PHE C 80 32.414 75.872 43.636 1.00 34.66 C +ATOM 5118 CE2 PHE C 80 34.157 75.178 45.081 1.00 34.33 C +ATOM 5119 CZ PHE C 80 33.527 75.095 43.870 1.00 33.10 C +ATOM 5120 N GLU C 81 31.617 78.091 49.806 1.00 39.92 N +ATOM 5121 CA GLU C 81 31.654 79.265 50.677 1.00 43.57 C +ATOM 5122 C GLU C 81 31.935 80.413 49.665 1.00 45.09 C +ATOM 5123 O GLU C 81 32.617 80.268 48.641 1.00 43.98 O +ATOM 5124 CB GLU C 81 32.799 79.181 51.673 1.00 45.40 C +ATOM 5125 CG GLU C 81 34.170 78.965 51.075 1.00 46.37 C +ATOM 5126 CD GLU C 81 35.306 79.376 51.990 1.00 47.63 C +ATOM 5127 OE1 GLU C 81 35.092 80.345 52.731 1.00 45.69 O +ATOM 5128 OE2 GLU C 81 36.395 78.730 51.949 1.00 49.67 O +ATOM 5129 N PHE C 82 31.363 81.552 49.964 1.00 46.55 N +ATOM 5130 CA PHE C 82 31.465 82.770 49.224 1.00 48.69 C +ATOM 5131 C PHE C 82 32.469 83.760 49.808 1.00 49.98 C +ATOM 5132 O PHE C 82 32.321 84.141 50.965 1.00 48.62 O +ATOM 5133 CB PHE C 82 30.115 83.498 49.341 1.00 48.87 C +ATOM 5134 CG PHE C 82 30.147 84.903 48.829 1.00 49.03 C +ATOM 5135 CD1 PHE C 82 30.052 85.124 47.455 1.00 49.31 C +ATOM 5136 CD2 PHE C 82 30.300 85.992 49.659 1.00 48.35 C +ATOM 5137 CE1 PHE C 82 30.062 86.414 46.950 1.00 48.62 C +ATOM 5138 CE2 PHE C 82 30.319 87.279 49.159 1.00 47.11 C +ATOM 5139 CZ PHE C 82 30.182 87.489 47.806 1.00 47.28 C +ATOM 5140 N LEU C 83 33.379 84.224 48.954 1.00 53.23 N +ATOM 5141 CA LEU C 83 34.320 85.224 49.441 1.00 56.35 C +ATOM 5142 C LEU C 83 33.972 86.569 48.821 1.00 58.47 C +ATOM 5143 O LEU C 83 33.139 86.682 47.926 1.00 58.89 O +ATOM 5144 CB LEU C 83 35.774 84.847 49.210 1.00 55.73 C +ATOM 5145 CG LEU C 83 36.260 83.789 50.217 1.00 54.79 C +ATOM 5146 CD1 LEU C 83 36.041 82.424 49.602 1.00 54.45 C +ATOM 5147 CD2 LEU C 83 37.699 84.010 50.617 1.00 55.22 C +ATOM 5148 N HIS C 84 34.611 87.571 49.371 1.00 60.95 N +ATOM 5149 CA HIS C 84 34.451 88.941 48.916 1.00 63.62 C +ATOM 5150 C HIS C 84 35.093 89.181 47.560 1.00 62.78 C +ATOM 5151 O HIS C 84 34.513 89.909 46.740 1.00 62.96 O +ATOM 5152 CB HIS C 84 35.195 89.719 49.997 1.00 66.63 C +ATOM 5153 CG HIS C 84 34.764 91.128 50.148 1.00 69.66 C +ATOM 5154 ND1 HIS C 84 33.446 91.460 50.373 1.00 71.07 N +ATOM 5155 CD2 HIS C 84 35.447 92.290 50.132 1.00 71.03 C +ATOM 5156 CE1 HIS C 84 33.314 92.773 50.490 1.00 71.73 C +ATOM 5157 NE2 HIS C 84 34.525 93.294 50.350 1.00 72.03 N +ATOM 5158 N GLN C 85 36.335 88.719 47.342 1.00 61.89 N +ATOM 5159 CA GLN C 85 36.922 88.986 46.053 1.00 61.60 C +ATOM 5160 C GLN C 85 38.194 88.314 45.625 1.00 61.04 C +ATOM 5161 O GLN C 85 38.778 87.529 46.325 1.00 61.49 O +ATOM 5162 CB GLN C 85 37.132 90.453 45.848 1.00 63.76 C +ATOM 5163 CG GLN C 85 37.671 91.333 46.974 1.00 66.46 C +ATOM 5164 CD GLN C 85 37.541 92.699 46.261 1.00 67.87 C +ATOM 5165 OE1 GLN C 85 38.606 93.293 46.142 1.00 69.13 O +ATOM 5166 NE2 GLN C 85 36.327 93.003 45.797 1.00 67.32 N +ATOM 5167 N ASP C 86 38.564 88.665 44.380 1.00 61.75 N +ATOM 5168 CA ASP C 86 39.763 87.993 43.860 1.00 61.31 C +ATOM 5169 C ASP C 86 40.927 88.954 43.942 1.00 61.21 C +ATOM 5170 O ASP C 86 40.755 90.108 44.289 1.00 60.74 O +ATOM 5171 CB ASP C 86 39.517 87.265 42.574 1.00 60.76 C +ATOM 5172 CG ASP C 86 38.849 87.977 41.439 1.00 60.71 C +ATOM 5173 OD1 ASP C 86 38.900 89.209 41.319 1.00 61.98 O +ATOM 5174 OD2 ASP C 86 38.266 87.230 40.626 1.00 60.14 O +ATOM 5175 N LEU C 87 42.110 88.348 43.808 1.00 62.87 N +ATOM 5176 CA LEU C 87 43.347 89.096 43.938 1.00 64.53 C +ATOM 5177 C LEU C 87 43.485 90.096 42.797 1.00 65.19 C +ATOM 5178 O LEU C 87 43.904 91.195 43.114 1.00 64.25 O +ATOM 5179 CB LEU C 87 44.647 88.301 43.990 1.00 63.24 C +ATOM 5180 CG LEU C 87 45.774 89.089 44.672 1.00 61.56 C +ATOM 5181 CD1 LEU C 87 45.298 89.741 45.969 1.00 62.09 C +ATOM 5182 CD2 LEU C 87 46.913 88.128 44.947 1.00 61.11 C +ATOM 5183 N LYS C 88 43.097 89.690 41.597 1.00 67.66 N +ATOM 5184 CA LYS C 88 43.120 90.710 40.544 1.00 70.66 C +ATOM 5185 C LYS C 88 42.204 91.857 40.952 1.00 70.55 C +ATOM 5186 O LYS C 88 42.754 92.933 41.223 1.00 70.02 O +ATOM 5187 CB LYS C 88 42.778 90.118 39.199 1.00 72.24 C +ATOM 5188 CG LYS C 88 42.265 91.082 38.146 1.00 73.99 C +ATOM 5189 CD LYS C 88 41.490 90.259 37.116 1.00 75.35 C +ATOM 5190 CE LYS C 88 41.674 90.774 35.697 1.00 76.52 C +ATOM 5191 NZ LYS C 88 41.167 89.783 34.702 1.00 75.97 N +ATOM 5192 N LYS C 89 40.914 91.706 41.190 1.00 71.00 N +ATOM 5193 CA LYS C 89 40.095 92.863 41.563 1.00 71.97 C +ATOM 5194 C LYS C 89 40.741 93.675 42.656 1.00 71.35 C +ATOM 5195 O LYS C 89 40.789 94.907 42.551 1.00 71.86 O +ATOM 5196 CB LYS C 89 38.643 92.458 41.794 1.00 73.25 C +ATOM 5197 CG LYS C 89 37.979 91.935 40.511 1.00 76.60 C +ATOM 5198 CD LYS C 89 36.727 91.133 40.812 1.00 78.36 C +ATOM 5199 CE LYS C 89 35.899 90.757 39.600 1.00 77.98 C +ATOM 5200 NZ LYS C 89 34.440 90.684 39.935 1.00 80.66 N +ATOM 5201 N PHE C 90 41.352 93.133 43.680 1.00 69.48 N +ATOM 5202 CA PHE C 90 42.007 93.801 44.773 1.00 68.30 C +ATOM 5203 C PHE C 90 43.227 94.638 44.421 1.00 69.12 C +ATOM 5204 O PHE C 90 43.378 95.756 44.877 1.00 68.47 O +ATOM 5205 CB PHE C 90 42.509 92.737 45.769 1.00 66.14 C +ATOM 5206 CG PHE C 90 42.870 93.413 47.069 1.00 63.75 C +ATOM 5207 CD1 PHE C 90 41.979 94.269 47.699 1.00 63.21 C +ATOM 5208 CD2 PHE C 90 44.100 93.177 47.647 1.00 63.78 C +ATOM 5209 CE1 PHE C 90 42.303 94.872 48.881 1.00 63.25 C +ATOM 5210 CE2 PHE C 90 44.444 93.776 48.840 1.00 63.15 C +ATOM 5211 CZ PHE C 90 43.539 94.619 49.450 1.00 62.41 C +ATOM 5212 N MET C 91 44.131 94.026 43.673 1.00 70.44 N +ATOM 5213 CA MET C 91 45.295 94.690 43.123 1.00 71.58 C +ATOM 5214 C MET C 91 44.851 96.020 42.499 1.00 75.18 C +ATOM 5215 O MET C 91 45.066 97.123 42.964 1.00 74.79 O +ATOM 5216 CB MET C 91 45.895 93.895 41.981 1.00 68.45 C +ATOM 5217 CG MET C 91 46.236 92.458 42.043 1.00 65.41 C +ATOM 5218 SD MET C 91 47.947 92.029 42.332 1.00 64.34 S +ATOM 5219 CE MET C 91 48.049 90.376 41.687 1.00 62.21 C +ATOM 5220 N ASP C 92 44.108 95.957 41.408 1.00 80.63 N +ATOM 5221 CA ASP C 92 43.601 97.028 40.590 1.00 85.54 C +ATOM 5222 C ASP C 92 43.003 98.247 41.281 1.00 89.01 C +ATOM 5223 O ASP C 92 42.963 99.318 40.658 1.00 89.40 O +ATOM 5224 CB ASP C 92 42.523 96.529 39.617 1.00 86.28 C +ATOM 5225 CG ASP C 92 42.956 95.574 38.534 1.00 87.39 C +ATOM 5226 OD1 ASP C 92 44.134 95.578 38.113 1.00 87.75 O +ATOM 5227 OD2 ASP C 92 42.088 94.795 38.072 1.00 87.49 O +ATOM 5228 N ALA C 93 42.471 98.135 42.480 1.00 92.91 N +ATOM 5229 CA ALA C 93 41.883 99.242 43.216 1.00 96.96 C +ATOM 5230 C ALA C 93 42.790 99.586 44.397 1.00100.52 C +ATOM 5231 O ALA C 93 42.587 100.425 45.258 1.00100.34 O +ATOM 5232 CB ALA C 93 40.485 98.898 43.669 1.00 96.75 C +ATOM 5233 N SER C 94 43.898 98.862 44.411 1.00105.80 N +ATOM 5234 CA SER C 94 44.992 98.999 45.349 1.00110.89 C +ATOM 5235 C SER C 94 46.137 99.639 44.552 1.00114.52 C +ATOM 5236 O SER C 94 47.162 100.009 45.089 1.00114.21 O +ATOM 5237 CB SER C 94 45.420 97.652 45.913 1.00110.32 C +ATOM 5238 OG SER C 94 45.865 97.680 47.249 1.00111.71 O +ATOM 5239 N ALA C 95 45.923 99.846 43.259 1.00117.96 N +ATOM 5240 CA ALA C 95 46.888 100.411 42.336 1.00121.49 C +ATOM 5241 C ALA C 95 47.428 101.801 42.626 1.00124.05 C +ATOM 5242 O ALA C 95 48.589 102.037 42.277 1.00124.05 O +ATOM 5243 CB ALA C 95 46.320 100.362 40.915 1.00121.77 C +ATOM 5244 N LEU C 96 46.685 102.719 43.209 1.00127.06 N +ATOM 5245 CA LEU C 96 47.204 104.045 43.535 1.00129.61 C +ATOM 5246 C LEU C 96 48.121 103.964 44.743 1.00130.43 C +ATOM 5247 O LEU C 96 49.298 104.327 44.675 1.00130.77 O +ATOM 5248 CB LEU C 96 46.002 104.984 43.675 1.00130.45 C +ATOM 5249 CG LEU C 96 45.471 105.465 42.314 1.00130.85 C +ATOM 5250 CD1 LEU C 96 44.001 105.822 42.336 1.00131.02 C +ATOM 5251 CD2 LEU C 96 46.309 106.657 41.869 1.00131.34 C +ATOM 5252 N THR C 97 47.658 103.369 45.835 1.00131.44 N +ATOM 5253 CA THR C 97 48.411 103.214 47.058 1.00131.67 C +ATOM 5254 C THR C 97 49.163 101.903 47.199 1.00131.05 C +ATOM 5255 O THR C 97 49.750 101.700 48.269 1.00130.92 O +ATOM 5256 CB THR C 97 47.464 103.282 48.284 1.00131.79 C +ATOM 5257 OG1 THR C 97 46.275 103.973 47.904 1.00132.50 O +ATOM 5258 CG2 THR C 97 48.135 103.996 49.443 1.00133.10 C +ATOM 5259 N GLY C 98 49.140 101.005 46.234 1.00129.08 N +ATOM 5260 CA GLY C 98 49.811 99.721 46.374 1.00126.68 C +ATOM 5261 C GLY C 98 49.325 98.914 47.580 1.00124.78 C +ATOM 5262 O GLY C 98 48.542 99.310 48.442 1.00124.21 O +ATOM 5263 N ILE C 99 49.837 97.679 47.603 1.00122.13 N +ATOM 5264 CA ILE C 99 49.554 96.724 48.654 1.00119.45 C +ATOM 5265 C ILE C 99 50.691 96.744 49.685 1.00116.41 C +ATOM 5266 O ILE C 99 51.837 96.463 49.349 1.00116.10 O +ATOM 5267 CB ILE C 99 49.475 95.250 48.215 1.00120.00 C +ATOM 5268 CG1 ILE C 99 48.628 95.063 46.963 1.00120.18 C +ATOM 5269 CG2 ILE C 99 48.931 94.396 49.355 1.00119.79 C +ATOM 5270 CD1 ILE C 99 48.935 93.809 46.171 1.00120.40 C +ATOM 5271 N PRO C 100 50.309 97.003 50.923 1.00113.57 N +ATOM 5272 CA PRO C 100 51.277 96.975 52.003 1.00111.39 C +ATOM 5273 C PRO C 100 52.011 95.639 51.983 1.00108.83 C +ATOM 5274 O PRO C 100 51.476 94.554 51.745 1.00108.48 O +ATOM 5275 CB PRO C 100 50.463 97.209 53.251 1.00111.74 C +ATOM 5276 CG PRO C 100 49.093 97.583 52.840 1.00112.22 C +ATOM 5277 CD PRO C 100 48.940 97.295 51.379 1.00112.87 C +ATOM 5278 N LEU C 101 53.302 95.707 52.321 1.00105.88 N +ATOM 5279 CA LEU C 101 54.204 94.573 52.411 1.00102.59 C +ATOM 5280 C LEU C 101 53.676 93.531 53.389 1.00 98.64 C +ATOM 5281 O LEU C 101 53.640 92.353 53.036 1.00 98.92 O +ATOM 5282 CB LEU C 101 55.616 94.901 52.862 1.00103.45 C +ATOM 5283 CG LEU C 101 56.799 95.204 51.966 1.00103.73 C +ATOM 5284 CD1 LEU C 101 57.474 93.915 51.497 1.00104.24 C +ATOM 5285 CD2 LEU C 101 56.377 96.055 50.764 1.00104.12 C +ATOM 5286 N PRO C 102 53.288 93.956 54.586 1.00 94.62 N +ATOM 5287 CA PRO C 102 52.741 93.057 55.590 1.00 91.24 C +ATOM 5288 C PRO C 102 51.729 92.097 54.986 1.00 86.94 C +ATOM 5289 O PRO C 102 51.830 90.884 55.059 1.00 86.33 O +ATOM 5290 CB PRO C 102 52.032 93.988 56.563 1.00 92.20 C +ATOM 5291 CG PRO C 102 52.784 95.264 56.480 1.00 93.48 C +ATOM 5292 CD PRO C 102 53.349 95.339 55.096 1.00 94.28 C +ATOM 5293 N LEU C 103 50.742 92.683 54.313 1.00 82.09 N +ATOM 5294 CA LEU C 103 49.689 91.970 53.628 1.00 77.29 C +ATOM 5295 C LEU C 103 50.188 91.064 52.513 1.00 73.76 C +ATOM 5296 O LEU C 103 49.579 89.997 52.331 1.00 74.25 O +ATOM 5297 CB LEU C 103 48.627 92.974 53.163 1.00 76.13 C +ATOM 5298 CG LEU C 103 47.261 92.429 52.747 1.00 74.91 C +ATOM 5299 CD1 LEU C 103 46.830 91.270 53.629 1.00 75.38 C +ATOM 5300 CD2 LEU C 103 46.181 93.513 52.788 1.00 75.73 C +ATOM 5301 N ILE C 104 51.214 91.410 51.764 1.00 69.63 N +ATOM 5302 CA ILE C 104 51.673 90.586 50.655 1.00 66.66 C +ATOM 5303 C ILE C 104 52.277 89.330 51.222 1.00 66.80 C +ATOM 5304 O ILE C 104 51.739 88.229 51.161 1.00 67.88 O +ATOM 5305 CB ILE C 104 52.688 91.368 49.805 1.00 65.59 C +ATOM 5306 CG1 ILE C 104 51.997 92.619 49.263 1.00 64.60 C +ATOM 5307 CG2 ILE C 104 53.298 90.540 48.687 1.00 64.80 C +ATOM 5308 CD1 ILE C 104 52.885 93.548 48.488 1.00 64.73 C +ATOM 5309 N LYS C 105 53.362 89.514 51.951 1.00 66.38 N +ATOM 5310 CA LYS C 105 54.074 88.510 52.718 1.00 65.65 C +ATOM 5311 C LYS C 105 53.072 87.673 53.503 1.00 64.11 C +ATOM 5312 O LYS C 105 53.325 86.475 53.682 1.00 66.28 O +ATOM 5313 CB LYS C 105 55.060 89.251 53.619 1.00 67.44 C +ATOM 5314 CG LYS C 105 54.950 89.075 55.124 1.00 69.66 C +ATOM 5315 CD LYS C 105 55.366 90.292 55.930 1.00 70.33 C +ATOM 5316 CE LYS C 105 56.840 90.414 56.259 1.00 70.13 C +ATOM 5317 NZ LYS C 105 57.479 89.138 56.701 1.00 70.49 N +ATOM 5318 N SER C 106 52.010 88.256 54.035 1.00 60.20 N +ATOM 5319 CA SER C 106 50.938 87.547 54.669 1.00 58.00 C +ATOM 5320 C SER C 106 50.181 86.691 53.641 1.00 57.32 C +ATOM 5321 O SER C 106 50.072 85.475 53.764 1.00 56.45 O +ATOM 5322 CB SER C 106 49.873 88.463 55.276 1.00 56.23 C +ATOM 5323 OG SER C 106 48.738 87.657 55.598 1.00 54.21 O +ATOM 5324 N TYR C 107 49.736 87.360 52.560 1.00 57.05 N +ATOM 5325 CA TYR C 107 48.927 86.728 51.529 1.00 54.63 C +ATOM 5326 C TYR C 107 49.802 85.755 50.754 1.00 54.29 C +ATOM 5327 O TYR C 107 49.238 84.775 50.286 1.00 54.50 O +ATOM 5328 CB TYR C 107 48.187 87.631 50.606 1.00 52.99 C +ATOM 5329 CG TYR C 107 46.971 88.445 50.856 1.00 50.31 C +ATOM 5330 CD1 TYR C 107 46.001 88.194 51.802 1.00 51.30 C +ATOM 5331 CD2 TYR C 107 46.762 89.550 50.038 1.00 50.61 C +ATOM 5332 CE1 TYR C 107 44.892 89.028 51.936 1.00 50.62 C +ATOM 5333 CE2 TYR C 107 45.659 90.381 50.139 1.00 50.07 C +ATOM 5334 CZ TYR C 107 44.715 90.113 51.108 1.00 49.89 C +ATOM 5335 OH TYR C 107 43.634 90.940 51.227 1.00 48.03 O +ATOM 5336 N LEU C 108 51.104 85.987 50.754 1.00 54.36 N +ATOM 5337 CA LEU C 108 51.984 85.001 50.113 1.00 55.21 C +ATOM 5338 C LEU C 108 52.128 83.886 51.131 1.00 55.49 C +ATOM 5339 O LEU C 108 52.173 82.710 50.770 1.00 57.03 O +ATOM 5340 CB LEU C 108 53.296 85.639 49.708 1.00 55.48 C +ATOM 5341 CG LEU C 108 54.425 84.745 49.187 1.00 54.83 C +ATOM 5342 CD1 LEU C 108 53.929 83.891 48.036 1.00 54.91 C +ATOM 5343 CD2 LEU C 108 55.603 85.617 48.800 1.00 53.78 C +ATOM 5344 N PHE C 109 52.112 84.236 52.422 1.00 55.58 N +ATOM 5345 CA PHE C 109 52.263 83.219 53.463 1.00 54.42 C +ATOM 5346 C PHE C 109 51.165 82.172 53.343 1.00 51.98 C +ATOM 5347 O PHE C 109 51.486 81.002 53.094 1.00 51.19 O +ATOM 5348 CB PHE C 109 52.415 83.837 54.862 1.00 56.01 C +ATOM 5349 CG PHE C 109 52.827 82.799 55.890 1.00 55.75 C +ATOM 5350 CD1 PHE C 109 53.968 82.037 55.702 1.00 55.34 C +ATOM 5351 CD2 PHE C 109 52.048 82.592 57.024 1.00 55.65 C +ATOM 5352 CE1 PHE C 109 54.326 81.086 56.622 1.00 55.05 C +ATOM 5353 CE2 PHE C 109 52.397 81.631 57.950 1.00 56.38 C +ATOM 5354 CZ PHE C 109 53.532 80.871 57.738 1.00 55.34 C +ATOM 5355 N GLN C 110 49.913 82.598 53.412 1.00 49.13 N +ATOM 5356 CA GLN C 110 48.726 81.770 53.354 1.00 47.07 C +ATOM 5357 C GLN C 110 48.544 81.098 52.005 1.00 47.18 C +ATOM 5358 O GLN C 110 47.948 80.014 51.994 1.00 48.99 O +ATOM 5359 CB GLN C 110 47.454 82.576 53.668 1.00 45.69 C +ATOM 5360 CG GLN C 110 47.736 83.789 54.557 1.00 44.04 C +ATOM 5361 CD GLN C 110 46.497 84.395 55.123 1.00 43.24 C +ATOM 5362 OE1 GLN C 110 45.535 83.652 55.324 1.00 46.59 O +ATOM 5363 NE2 GLN C 110 46.385 85.668 55.415 1.00 42.55 N +ATOM 5364 N LEU C 111 49.096 81.650 50.921 1.00 45.73 N +ATOM 5365 CA LEU C 111 48.998 80.986 49.633 1.00 44.29 C +ATOM 5366 C LEU C 111 49.859 79.734 49.627 1.00 44.18 C +ATOM 5367 O LEU C 111 49.569 78.679 49.026 1.00 42.67 O +ATOM 5368 CB LEU C 111 49.344 81.961 48.498 1.00 43.81 C +ATOM 5369 CG LEU C 111 48.310 83.031 48.076 1.00 42.88 C +ATOM 5370 CD1 LEU C 111 48.892 84.097 47.160 1.00 41.55 C +ATOM 5371 CD2 LEU C 111 47.128 82.357 47.365 1.00 41.68 C +ATOM 5372 N LEU C 112 51.010 79.782 50.311 1.00 45.98 N +ATOM 5373 CA LEU C 112 51.942 78.637 50.250 1.00 47.37 C +ATOM 5374 C LEU C 112 51.477 77.482 51.120 1.00 48.28 C +ATOM 5375 O LEU C 112 51.660 76.300 50.862 1.00 45.70 O +ATOM 5376 CB LEU C 112 53.336 79.039 50.676 1.00 46.38 C +ATOM 5377 CG LEU C 112 53.860 80.201 49.819 1.00 47.35 C +ATOM 5378 CD1 LEU C 112 54.686 81.159 50.667 1.00 47.73 C +ATOM 5379 CD2 LEU C 112 54.631 79.618 48.638 1.00 48.24 C +ATOM 5380 N GLN C 113 50.853 77.959 52.205 1.00 50.78 N +ATOM 5381 CA GLN C 113 50.252 77.030 53.166 1.00 52.14 C +ATOM 5382 C GLN C 113 49.127 76.355 52.385 1.00 51.74 C +ATOM 5383 O GLN C 113 48.995 75.142 52.400 1.00 49.94 O +ATOM 5384 CB GLN C 113 49.762 77.874 54.305 1.00 53.59 C +ATOM 5385 CG GLN C 113 50.301 77.852 55.700 1.00 55.63 C +ATOM 5386 CD GLN C 113 49.830 79.110 56.427 1.00 57.66 C +ATOM 5387 OE1 GLN C 113 49.142 79.169 57.450 1.00 57.37 O +ATOM 5388 NE2 GLN C 113 50.246 80.213 55.811 1.00 57.69 N +ATOM 5389 N GLY C 114 48.346 77.225 51.702 1.00 51.47 N +ATOM 5390 CA GLY C 114 47.266 76.704 50.873 1.00 50.91 C +ATOM 5391 C GLY C 114 47.866 75.776 49.825 1.00 50.30 C +ATOM 5392 O GLY C 114 47.287 74.702 49.607 1.00 51.86 O +ATOM 5393 N LEU C 115 48.965 76.101 49.175 1.00 48.96 N +ATOM 5394 CA LEU C 115 49.543 75.261 48.127 1.00 48.99 C +ATOM 5395 C LEU C 115 50.224 73.983 48.568 1.00 47.58 C +ATOM 5396 O LEU C 115 50.263 72.905 47.942 1.00 47.41 O +ATOM 5397 CB LEU C 115 50.557 76.158 47.389 1.00 49.91 C +ATOM 5398 CG LEU C 115 51.097 75.615 46.079 1.00 51.25 C +ATOM 5399 CD1 LEU C 115 50.019 75.274 45.048 1.00 51.29 C +ATOM 5400 CD2 LEU C 115 52.084 76.598 45.460 1.00 52.41 C +ATOM 5401 N ALA C 116 50.781 74.078 49.770 1.00 47.14 N +ATOM 5402 CA ALA C 116 51.474 72.944 50.385 1.00 47.30 C +ATOM 5403 C ALA C 116 50.453 71.933 50.867 1.00 48.45 C +ATOM 5404 O ALA C 116 50.777 70.740 50.937 1.00 48.68 O +ATOM 5405 CB ALA C 116 52.453 73.322 51.469 1.00 46.53 C +ATOM 5406 N PHE C 117 49.208 72.321 51.138 1.00 48.68 N +ATOM 5407 CA PHE C 117 48.220 71.302 51.481 1.00 49.87 C +ATOM 5408 C PHE C 117 47.953 70.406 50.269 1.00 50.15 C +ATOM 5409 O PHE C 117 47.876 69.177 50.264 1.00 50.59 O +ATOM 5410 CB PHE C 117 46.953 72.005 51.970 1.00 50.92 C +ATOM 5411 CG PHE C 117 46.181 70.984 52.761 1.00 51.91 C +ATOM 5412 CD1 PHE C 117 46.553 70.609 54.043 1.00 52.31 C +ATOM 5413 CD2 PHE C 117 45.123 70.356 52.152 1.00 52.23 C +ATOM 5414 CE1 PHE C 117 45.830 69.630 54.687 1.00 52.05 C +ATOM 5415 CE2 PHE C 117 44.397 69.388 52.790 1.00 51.54 C +ATOM 5416 CZ PHE C 117 44.752 69.032 54.065 1.00 51.72 C +ATOM 5417 N CYS C 118 47.832 71.078 49.127 1.00 49.68 N +ATOM 5418 CA CYS C 118 47.613 70.471 47.850 1.00 49.21 C +ATOM 5419 C CYS C 118 48.800 69.650 47.353 1.00 50.07 C +ATOM 5420 O CYS C 118 48.576 68.476 47.010 1.00 49.82 O +ATOM 5421 CB CYS C 118 47.366 71.459 46.712 1.00 47.81 C +ATOM 5422 SG CYS C 118 46.141 72.727 46.786 1.00 43.55 S +ATOM 5423 N HIS C 119 50.000 70.240 47.227 1.00 51.51 N +ATOM 5424 CA HIS C 119 51.102 69.381 46.708 1.00 52.80 C +ATOM 5425 C HIS C 119 51.215 68.119 47.567 1.00 53.94 C +ATOM 5426 O HIS C 119 51.306 66.954 47.155 1.00 53.90 O +ATOM 5427 CB HIS C 119 52.386 70.170 46.640 1.00 53.16 C +ATOM 5428 CG HIS C 119 52.304 71.394 45.775 1.00 54.44 C +ATOM 5429 ND1 HIS C 119 51.766 71.316 44.500 1.00 55.36 N +ATOM 5430 CD2 HIS C 119 52.667 72.676 45.939 1.00 54.77 C +ATOM 5431 CE1 HIS C 119 51.775 72.502 43.944 1.00 55.10 C +ATOM 5432 NE2 HIS C 119 52.331 73.347 44.785 1.00 54.84 N +ATOM 5433 N SER C 120 51.088 68.325 48.878 1.00 54.11 N +ATOM 5434 CA SER C 120 51.051 67.391 49.938 1.00 54.86 C +ATOM 5435 C SER C 120 50.014 66.309 49.677 1.00 54.99 C +ATOM 5436 O SER C 120 50.348 65.158 49.961 1.00 55.19 O +ATOM 5437 CB SER C 120 50.591 68.035 51.256 1.00 55.34 C +ATOM 5438 OG SER C 120 51.469 67.511 52.239 1.00 56.43 O +ATOM 5439 N HIS C 121 48.817 66.672 49.212 1.00 54.86 N +ATOM 5440 CA HIS C 121 47.845 65.606 48.934 1.00 54.82 C +ATOM 5441 C HIS C 121 47.781 65.261 47.455 1.00 52.12 C +ATOM 5442 O HIS C 121 46.756 64.954 46.847 1.00 49.11 O +ATOM 5443 CB HIS C 121 46.430 65.973 49.382 1.00 56.67 C +ATOM 5444 CG HIS C 121 46.437 66.090 50.884 1.00 57.78 C +ATOM 5445 ND1 HIS C 121 47.158 67.098 51.496 1.00 58.83 N +ATOM 5446 CD2 HIS C 121 45.877 65.368 51.860 1.00 57.55 C +ATOM 5447 CE1 HIS C 121 47.035 66.980 52.795 1.00 57.97 C +ATOM 5448 NE2 HIS C 121 46.255 65.947 53.037 1.00 57.78 N +ATOM 5449 N ARG C 122 48.956 65.262 46.833 1.00 50.28 N +ATOM 5450 CA ARG C 122 49.146 64.898 45.459 1.00 48.79 C +ATOM 5451 C ARG C 122 48.206 65.630 44.518 1.00 47.91 C +ATOM 5452 O ARG C 122 47.873 65.051 43.479 1.00 46.62 O +ATOM 5453 CB ARG C 122 49.049 63.394 45.310 1.00 48.13 C +ATOM 5454 CG ARG C 122 47.846 62.540 45.578 1.00 46.23 C +ATOM 5455 CD ARG C 122 46.743 62.401 44.558 1.00 43.22 C +ATOM 5456 NE ARG C 122 45.706 61.490 45.055 1.00 40.72 N +ATOM 5457 CZ ARG C 122 44.715 61.912 45.860 1.00 40.16 C +ATOM 5458 NH1 ARG C 122 44.668 63.190 46.210 1.00 37.05 N +ATOM 5459 NH2 ARG C 122 43.779 61.046 46.252 1.00 39.58 N +ATOM 5460 N VAL C 123 47.988 66.925 44.711 1.00 48.08 N +ATOM 5461 CA VAL C 123 47.164 67.737 43.840 1.00 48.34 C +ATOM 5462 C VAL C 123 47.901 68.931 43.238 1.00 49.30 C +ATOM 5463 O VAL C 123 48.412 69.783 44.007 1.00 50.57 O +ATOM 5464 CB VAL C 123 45.968 68.347 44.612 1.00 48.19 C +ATOM 5465 CG1 VAL C 123 45.103 69.299 43.761 1.00 47.66 C +ATOM 5466 CG2 VAL C 123 45.095 67.240 45.173 1.00 47.94 C +ATOM 5467 N LEU C 124 47.907 69.055 41.912 1.00 49.72 N +ATOM 5468 CA LEU C 124 48.437 70.274 41.302 1.00 50.88 C +ATOM 5469 C LEU C 124 47.199 71.091 40.872 1.00 50.35 C +ATOM 5470 O LEU C 124 46.248 70.523 40.335 1.00 51.37 O +ATOM 5471 CB LEU C 124 49.213 70.205 39.999 1.00 50.10 C +ATOM 5472 CG LEU C 124 50.080 68.990 39.777 1.00 50.81 C +ATOM 5473 CD1 LEU C 124 50.527 68.898 38.330 1.00 51.61 C +ATOM 5474 CD2 LEU C 124 51.311 69.022 40.683 1.00 52.05 C +ATOM 5475 N HIS C 125 47.316 72.384 40.986 1.00 49.87 N +ATOM 5476 CA HIS C 125 46.158 73.217 40.613 1.00 50.34 C +ATOM 5477 C HIS C 125 46.213 73.511 39.130 1.00 49.11 C +ATOM 5478 O HIS C 125 45.240 73.425 38.397 1.00 48.47 O +ATOM 5479 CB HIS C 125 46.265 74.410 41.516 1.00 50.13 C +ATOM 5480 CG HIS C 125 45.281 75.497 41.525 1.00 51.74 C +ATOM 5481 ND1 HIS C 125 45.148 76.369 40.463 1.00 53.04 N +ATOM 5482 CD2 HIS C 125 44.392 75.926 42.460 1.00 52.16 C +ATOM 5483 CE1 HIS C 125 44.222 77.279 40.723 1.00 52.05 C +ATOM 5484 NE2 HIS C 125 43.755 77.025 41.930 1.00 52.25 N +ATOM 5485 N ARG C 126 47.413 73.871 38.702 1.00 48.10 N +ATOM 5486 CA ARG C 126 47.796 74.228 37.351 1.00 45.52 C +ATOM 5487 C ARG C 126 47.144 75.531 36.930 1.00 43.26 C +ATOM 5488 O ARG C 126 46.789 75.620 35.752 1.00 41.27 O +ATOM 5489 CB ARG C 126 47.420 73.106 36.368 1.00 44.69 C +ATOM 5490 CG ARG C 126 48.196 71.842 36.614 1.00 47.34 C +ATOM 5491 CD ARG C 126 48.202 70.837 35.486 1.00 50.72 C +ATOM 5492 NE ARG C 126 46.848 70.346 35.194 1.00 52.22 N +ATOM 5493 CZ ARG C 126 46.635 69.172 34.598 1.00 52.16 C +ATOM 5494 NH1 ARG C 126 47.676 68.417 34.261 1.00 52.37 N +ATOM 5495 NH2 ARG C 126 45.373 68.826 34.404 1.00 52.93 N +ATOM 5496 N ASP C 127 46.875 76.507 37.789 1.00 42.21 N +ATOM 5497 CA ASP C 127 46.215 77.704 37.224 1.00 40.65 C +ATOM 5498 C ASP C 127 46.189 78.806 38.259 1.00 40.24 C +ATOM 5499 O ASP C 127 45.174 79.502 38.251 1.00 39.04 O +ATOM 5500 CB ASP C 127 44.850 77.423 36.627 1.00 41.21 C +ATOM 5501 CG ASP C 127 44.297 78.402 35.586 1.00 42.57 C +ATOM 5502 OD1 ASP C 127 45.070 79.131 34.895 1.00 42.48 O +ATOM 5503 OD2 ASP C 127 43.044 78.450 35.442 1.00 39.77 O +ATOM 5504 N LEU C 128 47.256 78.979 39.078 1.00 41.20 N +ATOM 5505 CA LEU C 128 47.060 80.150 39.965 1.00 44.55 C +ATOM 5506 C LEU C 128 47.311 81.389 39.111 1.00 44.84 C +ATOM 5507 O LEU C 128 48.103 81.428 38.176 1.00 45.09 O +ATOM 5508 CB LEU C 128 47.868 80.243 41.240 1.00 45.74 C +ATOM 5509 CG LEU C 128 48.001 79.003 42.122 1.00 46.78 C +ATOM 5510 CD1 LEU C 128 48.851 79.366 43.309 1.00 46.67 C +ATOM 5511 CD2 LEU C 128 46.667 78.439 42.592 1.00 46.65 C +ATOM 5512 N LYS C 129 46.601 82.419 39.451 1.00 46.17 N +ATOM 5513 CA LYS C 129 46.723 83.712 38.719 1.00 49.67 C +ATOM 5514 C LYS C 129 45.892 84.552 39.648 1.00 50.87 C +ATOM 5515 O LYS C 129 45.093 83.954 40.358 1.00 50.81 O +ATOM 5516 CB LYS C 129 46.304 83.503 37.289 1.00 49.53 C +ATOM 5517 CG LYS C 129 44.888 83.053 36.978 1.00 50.90 C +ATOM 5518 CD LYS C 129 44.772 82.186 35.739 1.00 50.50 C +ATOM 5519 CE LYS C 129 43.389 82.094 35.155 1.00 50.76 C +ATOM 5520 NZ LYS C 129 42.906 83.061 34.147 1.00 49.27 N +ATOM 5521 N PRO C 130 46.081 85.830 39.827 1.00 52.58 N +ATOM 5522 CA PRO C 130 45.334 86.538 40.838 1.00 53.61 C +ATOM 5523 C PRO C 130 43.850 86.451 40.652 1.00 54.16 C +ATOM 5524 O PRO C 130 43.189 86.613 41.680 1.00 54.98 O +ATOM 5525 CB PRO C 130 45.855 87.962 40.815 1.00 53.64 C +ATOM 5526 CG PRO C 130 46.574 88.080 39.517 1.00 54.31 C +ATOM 5527 CD PRO C 130 47.045 86.696 39.125 1.00 53.60 C +ATOM 5528 N GLN C 131 43.247 86.200 39.522 1.00 54.67 N +ATOM 5529 CA GLN C 131 41.783 86.143 39.410 1.00 55.09 C +ATOM 5530 C GLN C 131 41.229 84.903 40.110 1.00 53.07 C +ATOM 5531 O GLN C 131 40.132 84.923 40.658 1.00 52.58 O +ATOM 5532 CB GLN C 131 41.311 86.325 37.972 1.00 56.96 C +ATOM 5533 CG GLN C 131 42.231 85.710 36.913 1.00 60.31 C +ATOM 5534 CD GLN C 131 43.460 86.582 36.716 1.00 61.36 C +ATOM 5535 OE1 GLN C 131 44.568 86.089 36.828 1.00 62.72 O +ATOM 5536 NE2 GLN C 131 43.201 87.874 36.539 1.00 63.21 N +ATOM 5537 N ASN C 132 42.013 83.850 40.173 1.00 50.58 N +ATOM 5538 CA ASN C 132 41.729 82.603 40.827 1.00 48.94 C +ATOM 5539 C ASN C 132 41.958 82.555 42.324 1.00 49.05 C +ATOM 5540 O ASN C 132 41.808 81.455 42.884 1.00 49.93 O +ATOM 5541 CB ASN C 132 42.595 81.535 40.090 1.00 46.01 C +ATOM 5542 CG ASN C 132 41.867 81.081 38.832 1.00 43.85 C +ATOM 5543 OD1 ASN C 132 40.888 81.723 38.430 1.00 42.19 O +ATOM 5544 ND2 ASN C 132 42.257 80.006 38.167 1.00 41.69 N +ATOM 5545 N LEU C 133 42.292 83.618 43.037 1.00 49.25 N +ATOM 5546 CA LEU C 133 42.651 83.625 44.449 1.00 48.23 C +ATOM 5547 C LEU C 133 41.782 84.650 45.160 1.00 48.23 C +ATOM 5548 O LEU C 133 41.905 85.826 44.848 1.00 49.48 O +ATOM 5549 CB LEU C 133 44.109 84.022 44.669 1.00 48.38 C +ATOM 5550 CG LEU C 133 45.242 83.421 43.837 1.00 47.55 C +ATOM 5551 CD1 LEU C 133 46.614 84.018 44.154 1.00 46.70 C +ATOM 5552 CD2 LEU C 133 45.333 81.926 44.047 1.00 47.39 C +ATOM 5553 N LEU C 134 40.946 84.185 46.061 1.00 48.04 N +ATOM 5554 CA LEU C 134 39.888 84.889 46.724 1.00 47.39 C +ATOM 5555 C LEU C 134 40.194 85.328 48.136 1.00 48.75 C +ATOM 5556 O LEU C 134 40.995 84.662 48.783 1.00 48.24 O +ATOM 5557 CB LEU C 134 38.677 83.938 46.781 1.00 47.77 C +ATOM 5558 CG LEU C 134 38.361 83.085 45.569 1.00 48.06 C +ATOM 5559 CD1 LEU C 134 37.075 82.300 45.750 1.00 48.12 C +ATOM 5560 CD2 LEU C 134 38.259 83.972 44.339 1.00 50.57 C +ATOM 5561 N ILE C 135 39.607 86.420 48.614 1.00 50.02 N +ATOM 5562 CA ILE C 135 39.907 86.992 49.909 1.00 53.07 C +ATOM 5563 C ILE C 135 38.700 87.433 50.737 1.00 55.78 C +ATOM 5564 O ILE C 135 37.685 87.916 50.216 1.00 54.92 O +ATOM 5565 CB ILE C 135 40.802 88.270 49.815 1.00 52.60 C +ATOM 5566 CG1 ILE C 135 40.135 89.444 49.093 1.00 51.51 C +ATOM 5567 CG2 ILE C 135 42.145 88.034 49.149 1.00 52.43 C +ATOM 5568 CD1 ILE C 135 40.670 90.778 49.560 1.00 50.90 C +ATOM 5569 N ASN C 136 38.808 87.294 52.066 1.00 59.90 N +ATOM 5570 CA ASN C 136 37.690 87.767 52.888 1.00 63.55 C +ATOM 5571 C ASN C 136 38.050 89.207 53.235 1.00 67.32 C +ATOM 5572 O ASN C 136 39.137 89.722 52.995 1.00 69.00 O +ATOM 5573 CB ASN C 136 37.394 87.042 54.195 1.00 62.23 C +ATOM 5574 CG ASN C 136 38.614 86.386 54.775 1.00 61.89 C +ATOM 5575 OD1 ASN C 136 39.701 86.950 54.697 1.00 62.58 O +ATOM 5576 ND2 ASN C 136 38.559 85.199 55.355 1.00 61.90 N +ATOM 5577 N THR C 137 37.136 89.792 53.995 1.00 71.51 N +ATOM 5578 CA THR C 137 37.363 91.113 54.543 1.00 74.91 C +ATOM 5579 C THR C 137 38.188 90.943 55.820 1.00 76.21 C +ATOM 5580 O THR C 137 38.490 91.931 56.485 1.00 77.49 O +ATOM 5581 CB THR C 137 36.056 91.811 54.959 1.00 75.64 C +ATOM 5582 OG1 THR C 137 35.633 91.271 56.221 1.00 76.06 O +ATOM 5583 CG2 THR C 137 34.983 91.603 53.900 1.00 76.30 C +ATOM 5584 N GLU C 138 38.488 89.712 56.194 1.00 77.07 N +ATOM 5585 CA GLU C 138 39.213 89.412 57.397 1.00 78.02 C +ATOM 5586 C GLU C 138 40.699 89.174 57.234 1.00 74.07 C +ATOM 5587 O GLU C 138 41.320 89.023 58.295 1.00 72.79 O +ATOM 5588 CB GLU C 138 38.568 88.210 58.090 1.00 82.41 C +ATOM 5589 CG GLU C 138 37.067 88.359 58.370 1.00 86.92 C +ATOM 5590 CD GLU C 138 36.686 87.343 59.446 1.00 89.59 C +ATOM 5591 OE1 GLU C 138 37.500 86.401 59.642 1.00 90.41 O +ATOM 5592 OE2 GLU C 138 35.624 87.497 60.082 1.00 90.09 O +ATOM 5593 N GLY C 139 41.298 89.160 56.057 1.00 70.01 N +ATOM 5594 CA GLY C 139 42.747 89.008 56.009 1.00 66.69 C +ATOM 5595 C GLY C 139 43.291 87.721 55.438 1.00 63.75 C +ATOM 5596 O GLY C 139 44.462 87.599 55.082 1.00 63.57 O +ATOM 5597 N ALA C 140 42.384 86.774 55.263 1.00 61.73 N +ATOM 5598 CA ALA C 140 42.629 85.498 54.607 1.00 58.73 C +ATOM 5599 C ALA C 140 42.411 85.673 53.094 1.00 56.39 C +ATOM 5600 O ALA C 140 41.665 86.515 52.616 1.00 53.41 O +ATOM 5601 CB ALA C 140 41.600 84.494 55.093 1.00 57.96 C +ATOM 5602 N ILE C 141 43.080 84.843 52.332 1.00 55.86 N +ATOM 5603 CA ILE C 141 43.019 84.741 50.883 1.00 54.37 C +ATOM 5604 C ILE C 141 43.022 83.240 50.627 1.00 52.54 C +ATOM 5605 O ILE C 141 43.614 82.542 51.441 1.00 52.35 O +ATOM 5606 CB ILE C 141 44.230 85.393 50.201 1.00 54.86 C +ATOM 5607 CG1 ILE C 141 44.135 85.393 48.668 1.00 55.36 C +ATOM 5608 CG2 ILE C 141 45.490 84.687 50.684 1.00 53.70 C +ATOM 5609 CD1 ILE C 141 45.344 85.969 47.935 1.00 55.30 C +ATOM 5610 N LYS C 142 42.303 82.726 49.639 1.00 51.20 N +ATOM 5611 CA LYS C 142 42.260 81.268 49.474 1.00 49.84 C +ATOM 5612 C LYS C 142 42.392 80.879 48.011 1.00 48.91 C +ATOM 5613 O LYS C 142 41.937 81.619 47.154 1.00 48.84 O +ATOM 5614 CB LYS C 142 40.926 80.739 50.020 1.00 49.44 C +ATOM 5615 CG LYS C 142 40.582 80.971 51.476 1.00 49.23 C +ATOM 5616 CD LYS C 142 39.154 80.569 51.735 1.00 51.60 C +ATOM 5617 CE LYS C 142 38.680 80.858 53.164 1.00 52.32 C +ATOM 5618 NZ LYS C 142 38.146 79.587 53.776 1.00 52.86 N +ATOM 5619 N LEU C 143 42.921 79.721 47.699 1.00 48.49 N +ATOM 5620 CA LEU C 143 43.106 79.143 46.399 1.00 49.44 C +ATOM 5621 C LEU C 143 41.789 78.678 45.778 1.00 50.06 C +ATOM 5622 O LEU C 143 41.076 77.890 46.410 1.00 50.37 O +ATOM 5623 CB LEU C 143 44.046 77.939 46.575 1.00 49.25 C +ATOM 5624 CG LEU C 143 45.528 78.127 46.847 1.00 49.38 C +ATOM 5625 CD1 LEU C 143 46.360 76.896 46.460 1.00 48.34 C +ATOM 5626 CD2 LEU C 143 46.083 79.285 46.032 1.00 51.18 C +ATOM 5627 N ALA C 144 41.368 79.114 44.595 1.00 50.89 N +ATOM 5628 CA ALA C 144 40.102 78.723 43.980 1.00 49.65 C +ATOM 5629 C ALA C 144 40.228 78.431 42.485 1.00 49.81 C +ATOM 5630 O ALA C 144 41.228 78.695 41.818 1.00 48.04 O +ATOM 5631 CB ALA C 144 39.076 79.813 44.250 1.00 47.84 C +ATOM 5632 N ASP C 145 39.183 77.839 41.929 1.00 50.39 N +ATOM 5633 CA ASP C 145 39.054 77.385 40.559 1.00 49.79 C +ATOM 5634 C ASP C 145 40.069 76.284 40.298 1.00 48.73 C +ATOM 5635 O ASP C 145 41.163 76.350 39.745 1.00 49.37 O +ATOM 5636 CB ASP C 145 39.015 78.490 39.522 1.00 51.80 C +ATOM 5637 CG ASP C 145 38.278 78.030 38.271 1.00 53.62 C +ATOM 5638 OD1 ASP C 145 38.123 76.784 38.150 1.00 55.38 O +ATOM 5639 OD2 ASP C 145 37.846 78.857 37.439 1.00 53.27 O +ATOM 5640 N PHE C 146 39.600 75.122 40.768 1.00 46.75 N +ATOM 5641 CA PHE C 146 40.280 73.844 40.668 1.00 44.43 C +ATOM 5642 C PHE C 146 39.911 73.151 39.379 1.00 42.84 C +ATOM 5643 O PHE C 146 40.337 72.032 39.163 1.00 41.15 O +ATOM 5644 CB PHE C 146 40.070 72.934 41.890 1.00 43.64 C +ATOM 5645 CG PHE C 146 40.953 73.316 43.064 1.00 42.41 C +ATOM 5646 CD1 PHE C 146 40.693 74.479 43.780 1.00 41.05 C +ATOM 5647 CD2 PHE C 146 42.040 72.537 43.432 1.00 40.45 C +ATOM 5648 CE1 PHE C 146 41.484 74.836 44.844 1.00 39.66 C +ATOM 5649 CE2 PHE C 146 42.844 72.911 44.488 1.00 38.67 C +ATOM 5650 CZ PHE C 146 42.560 74.061 45.186 1.00 38.79 C +ATOM 5651 N GLY C 147 39.320 73.825 38.422 1.00 44.69 N +ATOM 5652 CA GLY C 147 38.956 73.363 37.097 1.00 46.90 C +ATOM 5653 C GLY C 147 40.064 72.825 36.228 1.00 47.48 C +ATOM 5654 O GLY C 147 39.829 71.986 35.350 1.00 48.05 O +ATOM 5655 N LEU C 148 41.303 73.247 36.463 1.00 48.54 N +ATOM 5656 CA LEU C 148 42.478 72.752 35.764 1.00 49.16 C +ATOM 5657 C LEU C 148 43.378 71.840 36.594 1.00 48.18 C +ATOM 5658 O LEU C 148 44.541 71.571 36.233 1.00 47.85 O +ATOM 5659 CB LEU C 148 43.339 73.916 35.283 1.00 50.32 C +ATOM 5660 CG LEU C 148 43.281 74.252 33.794 1.00 51.68 C +ATOM 5661 CD1 LEU C 148 43.256 72.974 32.950 1.00 53.33 C +ATOM 5662 CD2 LEU C 148 42.083 75.142 33.513 1.00 53.24 C +ATOM 5663 N ALA C 149 42.892 71.357 37.732 1.00 45.85 N +ATOM 5664 CA ALA C 149 43.707 70.589 38.644 1.00 43.93 C +ATOM 5665 C ALA C 149 43.764 69.107 38.370 1.00 42.34 C +ATOM 5666 O ALA C 149 42.952 68.454 37.739 1.00 41.23 O +ATOM 5667 CB ALA C 149 43.326 70.795 40.110 1.00 43.26 C +ATOM 5668 N ARG C 150 44.836 68.570 38.953 1.00 43.54 N +ATOM 5669 CA ARG C 150 45.045 67.151 38.695 1.00 46.75 C +ATOM 5670 C ARG C 150 45.540 66.290 39.830 1.00 46.78 C +ATOM 5671 O ARG C 150 46.625 66.589 40.345 1.00 46.43 O +ATOM 5672 CB ARG C 150 46.129 67.021 37.585 1.00 47.08 C +ATOM 5673 CG ARG C 150 45.880 65.747 36.793 1.00 49.74 C +ATOM 5674 CD ARG C 150 46.944 65.424 35.782 1.00 50.74 C +ATOM 5675 NE ARG C 150 46.536 64.836 34.504 1.00 51.25 N +ATOM 5676 CZ ARG C 150 46.114 63.626 34.213 1.00 50.50 C +ATOM 5677 NH1 ARG C 150 46.023 62.809 35.275 1.00 52.83 N +ATOM 5678 NH2 ARG C 150 45.791 63.200 33.011 1.00 49.17 N +ATOM 5679 N ALA C 151 44.832 65.185 40.082 1.00 46.11 N +ATOM 5680 CA ALA C 151 45.500 64.247 41.010 1.00 46.78 C +ATOM 5681 C ALA C 151 46.831 63.965 40.299 1.00 47.90 C +ATOM 5682 O ALA C 151 46.888 64.028 39.070 1.00 48.39 O +ATOM 5683 CB ALA C 151 44.776 62.950 41.181 1.00 46.69 C +ATOM 5684 N PHE C 152 47.909 63.762 41.031 1.00 49.62 N +ATOM 5685 CA PHE C 152 49.188 63.488 40.347 1.00 49.82 C +ATOM 5686 C PHE C 152 49.800 62.210 40.906 1.00 51.10 C +ATOM 5687 O PHE C 152 49.309 61.649 41.897 1.00 51.14 O +ATOM 5688 CB PHE C 152 49.978 64.761 40.348 1.00 48.88 C +ATOM 5689 CG PHE C 152 50.798 65.207 41.510 1.00 47.85 C +ATOM 5690 CD1 PHE C 152 50.495 66.389 42.179 1.00 47.68 C +ATOM 5691 CD2 PHE C 152 51.919 64.491 41.911 1.00 45.76 C +ATOM 5692 CE1 PHE C 152 51.234 66.831 43.261 1.00 46.93 C +ATOM 5693 CE2 PHE C 152 52.678 64.931 42.984 1.00 45.48 C +ATOM 5694 CZ PHE C 152 52.345 66.097 43.649 1.00 45.87 C +ATOM 5695 N GLY C 153 50.747 61.574 40.217 1.00 51.74 N +ATOM 5696 CA GLY C 153 51.329 60.350 40.729 1.00 52.10 C +ATOM 5697 C GLY C 153 52.786 60.608 41.122 1.00 53.28 C +ATOM 5698 O GLY C 153 53.438 61.621 40.855 1.00 50.60 O +ATOM 5699 N VAL C 154 53.341 59.550 41.730 1.00 54.96 N +ATOM 5700 CA VAL C 154 54.760 59.506 42.106 1.00 56.29 C +ATOM 5701 C VAL C 154 55.305 58.412 41.219 1.00 56.71 C +ATOM 5702 O VAL C 154 55.038 57.413 41.876 1.00 55.69 O +ATOM 5703 CB VAL C 154 55.074 59.366 43.590 1.00 55.75 C +ATOM 5704 CG1 VAL C 154 56.572 59.156 43.823 1.00 55.17 C +ATOM 5705 CG2 VAL C 154 54.612 60.596 44.357 1.00 56.26 C +ATOM 5706 N PRO C 155 56.416 58.607 40.562 1.00 57.62 N +ATOM 5707 CA PRO C 155 56.754 59.645 39.645 1.00 57.45 C +ATOM 5708 C PRO C 155 55.565 60.075 38.789 1.00 56.81 C +ATOM 5709 O PRO C 155 54.558 59.375 38.660 1.00 56.39 O +ATOM 5710 CB PRO C 155 58.019 59.337 38.855 1.00 56.85 C +ATOM 5711 CG PRO C 155 58.339 57.967 39.378 1.00 57.56 C +ATOM 5712 CD PRO C 155 56.939 57.488 39.703 1.00 57.53 C +ATOM 5713 N VAL C 156 55.687 61.345 38.395 1.00 56.64 N +ATOM 5714 CA VAL C 156 54.636 61.921 37.569 1.00 56.48 C +ATOM 5715 C VAL C 156 54.676 61.120 36.279 1.00 57.47 C +ATOM 5716 O VAL C 156 55.510 60.259 36.032 1.00 58.24 O +ATOM 5717 CB VAL C 156 54.817 63.425 37.338 1.00 54.65 C +ATOM 5718 CG1 VAL C 156 54.468 64.109 38.647 1.00 54.57 C +ATOM 5719 CG2 VAL C 156 56.227 63.771 36.902 1.00 53.58 C +ATOM 5720 N ARG C 157 53.717 61.433 35.455 1.00 59.16 N +ATOM 5721 CA ARG C 157 53.583 60.931 34.112 1.00 60.62 C +ATOM 5722 C ARG C 157 53.405 62.238 33.310 1.00 60.46 C +ATOM 5723 O ARG C 157 53.005 63.267 33.843 1.00 60.84 O +ATOM 5724 CB ARG C 157 52.271 60.240 33.839 1.00 61.93 C +ATOM 5725 CG ARG C 157 52.097 58.757 33.870 1.00 63.14 C +ATOM 5726 CD ARG C 157 50.880 58.447 32.973 1.00 64.54 C +ATOM 5727 NE ARG C 157 49.734 59.244 33.367 1.00 66.17 N +ATOM 5728 CZ ARG C 157 48.781 58.955 34.243 1.00 65.95 C +ATOM 5729 NH1 ARG C 157 48.775 57.786 34.879 1.00 66.99 N +ATOM 5730 NH2 ARG C 157 47.830 59.856 34.452 1.00 65.43 N +ATOM 5731 N THR C 158 53.654 62.149 32.030 1.00 60.53 N +ATOM 5732 CA THR C 158 53.387 63.316 31.185 1.00 59.63 C +ATOM 5733 C THR C 158 51.936 63.705 31.404 1.00 60.08 C +ATOM 5734 O THR C 158 51.105 62.782 31.348 1.00 59.93 O +ATOM 5735 CB THR C 158 53.606 62.783 29.759 1.00 58.23 C +ATOM 5736 OG1 THR C 158 54.927 62.202 29.699 1.00 57.05 O +ATOM 5737 CG2 THR C 158 53.384 63.913 28.786 1.00 57.10 C +ATOM 5738 N TYR C 159 51.649 64.982 31.717 1.00 60.13 N +ATOM 5739 CA TYR C 159 50.222 65.335 31.966 1.00 60.42 C +ATOM 5740 C TYR C 159 49.768 66.236 30.834 1.00 59.59 C +ATOM 5741 O TYR C 159 50.456 66.093 29.813 1.00 59.57 O +ATOM 5742 CB TYR C 159 50.020 65.834 33.393 1.00 59.57 C +ATOM 5743 CG TYR C 159 50.430 64.848 34.477 1.00 58.96 C +ATOM 5744 CD1 TYR C 159 49.861 63.572 34.461 1.00 59.99 C +ATOM 5745 CD2 TYR C 159 51.331 65.127 35.506 1.00 59.64 C +ATOM 5746 CE1 TYR C 159 50.182 62.619 35.410 1.00 60.22 C +ATOM 5747 CE2 TYR C 159 51.648 64.175 36.461 1.00 59.38 C +ATOM 5748 CZ TYR C 159 51.088 62.921 36.416 1.00 58.93 C +ATOM 5749 OH TYR C 159 51.350 61.900 37.305 1.00 59.76 O +HETATM 5750 N TPO C 160 48.745 67.029 30.733 1.00 20.00 N +HETATM 5751 CA TPO C 160 48.296 67.968 29.719 1.00 20.00 C +HETATM 5752 CB TPO C 160 46.886 68.506 30.141 1.00 20.00 C +HETATM 5753 CG2 TPO C 160 46.394 69.687 29.268 1.00 20.00 C +HETATM 5754 OG1 TPO C 160 45.942 67.404 30.166 1.00 20.00 O +HETATM 5755 P TPO C 160 45.310 67.003 31.653 1.00 20.00 P +HETATM 5756 O1P TPO C 160 44.492 65.786 31.367 1.00 20.00 O +HETATM 5757 O2P TPO C 160 46.606 66.604 32.543 1.00 20.00 O +HETATM 5758 O3P TPO C 160 44.706 68.283 32.285 1.00 20.00 O +HETATM 5759 C TPO C 160 49.313 69.089 29.482 1.00 20.00 C +HETATM 5760 O TPO C 160 49.790 69.755 30.432 1.00 20.00 O +ATOM 5761 N HIS C 161 49.386 69.309 28.136 1.00 73.61 N +ATOM 5762 CA HIS C 161 50.395 70.343 27.922 1.00 81.03 C +ATOM 5763 C HIS C 161 49.851 71.748 27.915 1.00 81.94 C +ATOM 5764 O HIS C 161 50.467 72.753 28.222 1.00 80.33 O +ATOM 5765 CB HIS C 161 51.198 69.894 26.685 1.00 84.76 C +ATOM 5766 CG HIS C 161 52.243 70.982 26.650 1.00 89.51 C +ATOM 5767 ND1 HIS C 161 52.140 72.023 25.754 1.00 91.57 N +ATOM 5768 CD2 HIS C 161 53.279 71.228 27.491 1.00 91.70 C +ATOM 5769 CE1 HIS C 161 53.128 72.862 25.994 1.00 92.39 C +ATOM 5770 NE2 HIS C 161 53.822 72.405 27.027 1.00 92.38 N +ATOM 5771 N GLU C 162 48.600 71.792 27.523 1.00 83.32 N +ATOM 5772 CA GLU C 162 47.784 73.019 27.411 1.00 84.65 C +ATOM 5773 C GLU C 162 47.465 73.224 28.876 1.00 83.17 C +ATOM 5774 O GLU C 162 46.696 72.411 29.404 1.00 82.99 O +ATOM 5775 CB GLU C 162 46.684 72.602 26.447 1.00 87.95 C +ATOM 5776 CG GLU C 162 47.124 71.829 25.215 1.00 90.41 C +ATOM 5777 CD GLU C 162 47.439 70.351 25.286 1.00 92.20 C +ATOM 5778 OE1 GLU C 162 46.539 69.475 25.365 1.00 93.37 O +ATOM 5779 OE2 GLU C 162 48.655 70.040 25.243 1.00 93.43 O +ATOM 5780 N VAL C 163 48.198 74.055 29.609 1.00 80.32 N +ATOM 5781 CA VAL C 163 48.033 74.097 31.075 1.00 77.39 C +ATOM 5782 C VAL C 163 48.481 75.430 31.620 1.00 74.69 C +ATOM 5783 O VAL C 163 49.304 76.083 30.979 1.00 74.46 O +ATOM 5784 CB VAL C 163 48.818 72.879 31.614 1.00 77.78 C +ATOM 5785 CG1 VAL C 163 49.735 73.225 32.775 1.00 78.61 C +ATOM 5786 CG2 VAL C 163 47.900 71.725 32.023 1.00 77.86 C +ATOM 5787 N VAL C 164 48.038 75.874 32.779 1.00 70.66 N +ATOM 5788 CA VAL C 164 48.357 77.140 33.400 1.00 66.89 C +ATOM 5789 C VAL C 164 48.085 78.311 32.471 1.00 64.61 C +ATOM 5790 O VAL C 164 48.577 78.304 31.345 1.00 64.87 O +ATOM 5791 CB VAL C 164 49.818 77.357 33.873 1.00 66.50 C +ATOM 5792 CG1 VAL C 164 49.847 78.404 34.983 1.00 66.08 C +ATOM 5793 CG2 VAL C 164 50.551 76.123 34.371 1.00 67.61 C +ATOM 5794 N THR C 165 47.449 79.389 32.860 1.00 61.95 N +ATOM 5795 CA THR C 165 47.350 80.568 31.977 1.00 59.98 C +ATOM 5796 C THR C 165 48.777 80.907 31.565 1.00 59.29 C +ATOM 5797 O THR C 165 49.648 80.800 32.432 1.00 58.23 O +ATOM 5798 CB THR C 165 46.684 81.695 32.776 1.00 59.85 C +ATOM 5799 OG1 THR C 165 45.275 81.415 32.829 1.00 59.23 O +ATOM 5800 CG2 THR C 165 46.883 83.066 32.190 1.00 59.72 C +ATOM 5801 N LEU C 166 49.044 81.275 30.326 1.00 58.63 N +ATOM 5802 CA LEU C 166 50.349 81.554 29.764 1.00 57.39 C +ATOM 5803 C LEU C 166 51.253 82.537 30.475 1.00 54.57 C +ATOM 5804 O LEU C 166 52.414 82.164 30.683 1.00 53.09 O +ATOM 5805 CB LEU C 166 50.139 81.981 28.299 1.00 59.57 C +ATOM 5806 CG LEU C 166 51.287 82.722 27.611 1.00 60.06 C +ATOM 5807 CD1 LEU C 166 52.436 81.746 27.339 1.00 61.60 C +ATOM 5808 CD2 LEU C 166 50.802 83.441 26.357 1.00 60.75 C +ATOM 5809 N TRP C 167 50.822 83.714 30.905 1.00 52.85 N +ATOM 5810 CA TRP C 167 51.648 84.640 31.643 1.00 50.59 C +ATOM 5811 C TRP C 167 52.155 84.149 32.999 1.00 51.42 C +ATOM 5812 O TRP C 167 52.966 84.877 33.592 1.00 52.83 O +ATOM 5813 CB TRP C 167 50.904 85.913 32.026 1.00 47.62 C +ATOM 5814 CG TRP C 167 50.509 86.871 30.979 1.00 45.24 C +ATOM 5815 CD1 TRP C 167 50.616 86.772 29.614 1.00 45.70 C +ATOM 5816 CD2 TRP C 167 49.858 88.120 31.237 1.00 44.36 C +ATOM 5817 NE1 TRP C 167 50.086 87.895 29.001 1.00 44.58 N +ATOM 5818 CE2 TRP C 167 49.603 88.737 29.980 1.00 43.43 C +ATOM 5819 CE3 TRP C 167 49.468 88.778 32.409 1.00 43.85 C +ATOM 5820 CZ2 TRP C 167 48.962 89.961 29.883 1.00 41.83 C +ATOM 5821 CZ3 TRP C 167 48.853 90.025 32.288 1.00 43.21 C +ATOM 5822 CH2 TRP C 167 48.608 90.612 31.035 1.00 42.19 C +ATOM 5823 N TYR C 168 51.683 83.078 33.602 1.00 50.88 N +ATOM 5824 CA TYR C 168 52.094 82.585 34.902 1.00 50.19 C +ATOM 5825 C TYR C 168 52.599 81.128 34.805 1.00 53.02 C +ATOM 5826 O TYR C 168 52.711 80.347 35.781 1.00 52.51 O +ATOM 5827 CB TYR C 168 50.879 82.623 35.822 1.00 46.19 C +ATOM 5828 CG TYR C 168 50.221 83.971 35.974 1.00 43.47 C +ATOM 5829 CD1 TYR C 168 50.593 84.825 36.982 1.00 43.12 C +ATOM 5830 CD2 TYR C 168 49.227 84.407 35.124 1.00 44.37 C +ATOM 5831 CE1 TYR C 168 50.003 86.055 37.159 1.00 44.28 C +ATOM 5832 CE2 TYR C 168 48.612 85.645 35.259 1.00 45.31 C +ATOM 5833 CZ TYR C 168 49.016 86.465 36.294 1.00 45.82 C +ATOM 5834 OH TYR C 168 48.431 87.712 36.445 1.00 46.99 O +ATOM 5835 N ARG C 169 52.893 80.798 33.533 1.00 52.83 N +ATOM 5836 CA ARG C 169 53.334 79.499 33.128 1.00 54.81 C +ATOM 5837 C ARG C 169 54.836 79.291 33.156 1.00 55.94 C +ATOM 5838 O ARG C 169 55.595 80.128 32.699 1.00 55.38 O +ATOM 5839 CB ARG C 169 52.850 79.173 31.689 1.00 54.51 C +ATOM 5840 CG ARG C 169 52.808 77.672 31.488 1.00 55.19 C +ATOM 5841 CD ARG C 169 52.728 77.166 30.064 1.00 56.93 C +ATOM 5842 NE ARG C 169 51.532 77.556 29.400 1.00 58.10 N +ATOM 5843 CZ ARG C 169 50.834 77.824 28.336 1.00 58.97 C +ATOM 5844 NH1 ARG C 169 51.254 77.775 27.072 1.00 59.15 N +ATOM 5845 NH2 ARG C 169 49.557 78.192 28.537 1.00 60.25 N +ATOM 5846 N ALA C 170 55.253 78.086 33.559 1.00 58.48 N +ATOM 5847 CA ALA C 170 56.650 77.716 33.687 1.00 59.91 C +ATOM 5848 C ALA C 170 57.459 77.300 32.475 1.00 60.33 C +ATOM 5849 O ALA C 170 56.952 76.801 31.466 1.00 61.21 O +ATOM 5850 CB ALA C 170 56.635 76.552 34.695 1.00 60.64 C +ATOM 5851 N PRO C 171 58.781 77.463 32.595 1.00 60.69 N +ATOM 5852 CA PRO C 171 59.727 77.094 31.547 1.00 60.13 C +ATOM 5853 C PRO C 171 59.518 75.641 31.185 1.00 59.18 C +ATOM 5854 O PRO C 171 59.068 75.316 30.077 1.00 57.17 O +ATOM 5855 CB PRO C 171 61.108 77.394 32.077 1.00 60.49 C +ATOM 5856 CG PRO C 171 60.963 77.819 33.492 1.00 61.00 C +ATOM 5857 CD PRO C 171 59.496 78.025 33.755 1.00 61.51 C +ATOM 5858 N GLU C 172 59.664 74.716 32.132 1.00 59.42 N +ATOM 5859 CA GLU C 172 59.383 73.307 31.881 1.00 59.00 C +ATOM 5860 C GLU C 172 58.341 72.930 30.831 1.00 57.36 C +ATOM 5861 O GLU C 172 58.341 71.834 30.281 1.00 56.74 O +ATOM 5862 CB GLU C 172 58.691 72.819 33.189 1.00 59.36 C +ATOM 5863 CG GLU C 172 59.428 73.098 34.449 1.00 59.47 C +ATOM 5864 CD GLU C 172 59.095 74.301 35.278 1.00 60.05 C +ATOM 5865 OE1 GLU C 172 58.624 74.015 36.401 1.00 58.61 O +ATOM 5866 OE2 GLU C 172 59.323 75.472 34.907 1.00 60.81 O +ATOM 5867 N ILE C 173 57.258 73.674 30.721 1.00 55.79 N +ATOM 5868 CA ILE C 173 56.091 73.532 29.909 1.00 55.84 C +ATOM 5869 C ILE C 173 56.270 74.204 28.546 1.00 57.21 C +ATOM 5870 O ILE C 173 56.115 73.557 27.513 1.00 57.09 O +ATOM 5871 CB ILE C 173 54.808 74.114 30.570 1.00 54.14 C +ATOM 5872 CG1 ILE C 173 54.433 73.591 31.962 1.00 53.29 C +ATOM 5873 CG2 ILE C 173 53.645 73.865 29.640 1.00 51.58 C +ATOM 5874 CD1 ILE C 173 53.495 74.495 32.746 1.00 51.03 C +ATOM 5875 N LEU C 174 56.676 75.473 28.488 1.00 58.60 N +ATOM 5876 CA LEU C 174 56.947 76.213 27.261 1.00 58.82 C +ATOM 5877 C LEU C 174 58.020 75.501 26.445 1.00 59.97 C +ATOM 5878 O LEU C 174 57.959 75.417 25.219 1.00 60.31 O +ATOM 5879 CB LEU C 174 57.367 77.667 27.534 1.00 57.49 C +ATOM 5880 CG LEU C 174 56.302 78.575 28.167 1.00 56.32 C +ATOM 5881 CD1 LEU C 174 56.864 79.894 28.646 1.00 55.00 C +ATOM 5882 CD2 LEU C 174 55.192 78.826 27.152 1.00 57.20 C +ATOM 5883 N LEU C 175 58.959 74.848 27.121 1.00 61.24 N +ATOM 5884 CA LEU C 175 59.978 74.101 26.383 1.00 63.49 C +ATOM 5885 C LEU C 175 59.473 72.721 26.022 1.00 64.11 C +ATOM 5886 O LEU C 175 60.048 72.102 25.113 1.00 64.05 O +ATOM 5887 CB LEU C 175 61.301 74.324 27.101 1.00 63.45 C +ATOM 5888 CG LEU C 175 61.688 75.819 27.151 1.00 63.69 C +ATOM 5889 CD1 LEU C 175 62.501 76.141 28.391 1.00 64.48 C +ATOM 5890 CD2 LEU C 175 62.407 76.234 25.875 1.00 63.78 C +ATOM 5891 N GLY C 176 58.335 72.273 26.537 1.00 65.20 N +ATOM 5892 CA GLY C 176 57.720 71.033 26.139 1.00 66.60 C +ATOM 5893 C GLY C 176 58.216 69.825 26.905 1.00 68.23 C +ATOM 5894 O GLY C 176 57.915 68.710 26.443 1.00 69.42 O +ATOM 5895 N CYS C 177 58.925 70.018 28.001 1.00 69.73 N +ATOM 5896 CA CYS C 177 59.345 68.827 28.749 1.00 72.68 C +ATOM 5897 C CYS C 177 58.115 67.968 29.032 1.00 75.33 C +ATOM 5898 O CYS C 177 56.966 68.347 29.228 1.00 74.81 O +ATOM 5899 CB CYS C 177 60.200 69.247 29.929 1.00 71.52 C +ATOM 5900 SG CYS C 177 59.765 68.411 31.446 1.00 69.48 S +ATOM 5901 N LYS C 178 58.334 66.664 28.929 1.00 79.35 N +ATOM 5902 CA LYS C 178 57.382 65.584 29.022 1.00 83.30 C +ATOM 5903 C LYS C 178 56.930 65.289 30.439 1.00 83.96 C +ATOM 5904 O LYS C 178 55.990 64.545 30.709 1.00 83.40 O +ATOM 5905 CB LYS C 178 57.993 64.351 28.323 1.00 85.74 C +ATOM 5906 CG LYS C 178 59.282 63.773 28.863 1.00 88.39 C +ATOM 5907 CD LYS C 178 59.944 62.684 28.051 1.00 89.73 C +ATOM 5908 CE LYS C 178 59.337 61.305 28.225 1.00 90.84 C +ATOM 5909 NZ LYS C 178 60.206 60.213 27.690 1.00 91.85 N +ATOM 5910 N TYR C 179 57.658 65.823 31.419 1.00 85.42 N +ATOM 5911 CA TYR C 179 57.362 65.660 32.820 1.00 86.41 C +ATOM 5912 C TYR C 179 57.390 66.971 33.600 1.00 83.67 C +ATOM 5913 O TYR C 179 58.457 67.489 33.956 1.00 84.66 O +ATOM 5914 CB TYR C 179 58.314 64.675 33.523 1.00 90.03 C +ATOM 5915 CG TYR C 179 58.200 63.273 32.966 1.00 93.54 C +ATOM 5916 CD1 TYR C 179 57.077 62.486 33.181 1.00 95.46 C +ATOM 5917 CD2 TYR C 179 59.220 62.759 32.180 1.00 94.97 C +ATOM 5918 CE1 TYR C 179 56.985 61.219 32.638 1.00 96.25 C +ATOM 5919 CE2 TYR C 179 59.144 61.497 31.634 1.00 96.58 C +ATOM 5920 CZ TYR C 179 58.026 60.732 31.867 1.00 96.70 C +ATOM 5921 OH TYR C 179 57.924 59.465 31.334 1.00 97.47 O +ATOM 5922 N TYR C 180 56.218 67.516 33.901 1.00 79.42 N +ATOM 5923 CA TYR C 180 56.193 68.701 34.752 1.00 74.32 C +ATOM 5924 C TYR C 180 55.635 68.243 36.115 1.00 70.88 C +ATOM 5925 O TYR C 180 55.255 67.097 36.339 1.00 68.61 O +ATOM 5926 CB TYR C 180 55.463 69.924 34.244 1.00 73.41 C +ATOM 5927 CG TYR C 180 53.999 69.745 33.910 1.00 72.08 C +ATOM 5928 CD1 TYR C 180 53.035 69.650 34.897 1.00 72.03 C +ATOM 5929 CD2 TYR C 180 53.574 69.687 32.588 1.00 72.46 C +ATOM 5930 CE1 TYR C 180 51.704 69.494 34.587 1.00 71.55 C +ATOM 5931 CE2 TYR C 180 52.240 69.536 32.258 1.00 71.62 C +ATOM 5932 CZ TYR C 180 51.307 69.435 33.269 1.00 70.81 C +ATOM 5933 OH TYR C 180 49.972 69.270 33.002 1.00 69.93 O +ATOM 5934 N SER C 181 55.608 69.276 36.967 1.00 68.08 N +ATOM 5935 CA SER C 181 55.161 69.006 38.313 1.00 66.25 C +ATOM 5936 C SER C 181 54.834 70.193 39.188 1.00 63.17 C +ATOM 5937 O SER C 181 54.514 71.326 38.844 1.00 61.86 O +ATOM 5938 CB SER C 181 56.279 68.167 38.994 1.00 67.39 C +ATOM 5939 OG SER C 181 55.646 67.216 39.850 1.00 69.23 O +ATOM 5940 N THR C 182 54.966 69.829 40.475 1.00 60.32 N +ATOM 5941 CA THR C 182 54.707 70.755 41.567 1.00 58.24 C +ATOM 5942 C THR C 182 55.517 72.018 41.322 1.00 55.44 C +ATOM 5943 O THR C 182 54.920 73.092 41.488 1.00 53.85 O +ATOM 5944 CB THR C 182 54.878 70.126 42.954 1.00 59.23 C +ATOM 5945 OG1 THR C 182 56.267 69.821 43.190 1.00 60.99 O +ATOM 5946 CG2 THR C 182 54.078 68.834 43.119 1.00 59.09 C +ATOM 5947 N ALA C 183 56.736 71.982 40.792 1.00 52.73 N +ATOM 5948 CA ALA C 183 57.451 73.221 40.476 1.00 51.52 C +ATOM 5949 C ALA C 183 56.579 74.259 39.761 1.00 50.40 C +ATOM 5950 O ALA C 183 56.641 75.424 40.176 1.00 46.93 O +ATOM 5951 CB ALA C 183 58.748 72.860 39.772 1.00 50.52 C +ATOM 5952 N VAL C 184 55.717 73.886 38.798 1.00 50.49 N +ATOM 5953 CA VAL C 184 54.841 74.803 38.099 1.00 50.17 C +ATOM 5954 C VAL C 184 53.929 75.669 38.952 1.00 49.92 C +ATOM 5955 O VAL C 184 53.934 76.854 38.581 1.00 48.53 O +ATOM 5956 CB VAL C 184 53.971 74.170 36.995 1.00 50.79 C +ATOM 5957 CG1 VAL C 184 54.818 73.208 36.156 1.00 51.18 C +ATOM 5958 CG2 VAL C 184 52.709 73.482 37.467 1.00 49.08 C +ATOM 5959 N ASP C 185 53.274 75.193 40.022 1.00 50.41 N +ATOM 5960 CA ASP C 185 52.447 76.128 40.775 1.00 53.13 C +ATOM 5961 C ASP C 185 53.308 77.135 41.542 1.00 53.93 C +ATOM 5962 O ASP C 185 52.825 78.244 41.789 1.00 53.36 O +ATOM 5963 CB ASP C 185 51.426 75.563 41.777 1.00 53.27 C +ATOM 5964 CG ASP C 185 50.487 74.557 41.163 1.00 52.73 C +ATOM 5965 OD1 ASP C 185 50.272 74.615 39.939 1.00 53.01 O +ATOM 5966 OD2 ASP C 185 49.918 73.642 41.780 1.00 52.94 O +ATOM 5967 N ILE C 186 54.516 76.710 41.902 1.00 55.57 N +ATOM 5968 CA ILE C 186 55.435 77.557 42.679 1.00 56.39 C +ATOM 5969 C ILE C 186 55.777 78.740 41.793 1.00 56.02 C +ATOM 5970 O ILE C 186 55.648 79.859 42.281 1.00 54.34 O +ATOM 5971 CB ILE C 186 56.597 76.734 43.248 1.00 57.40 C +ATOM 5972 CG1 ILE C 186 56.142 75.920 44.484 1.00 57.19 C +ATOM 5973 CG2 ILE C 186 57.830 77.546 43.632 1.00 57.49 C +ATOM 5974 CD1 ILE C 186 55.860 76.779 45.699 1.00 57.19 C +ATOM 5975 N TRP C 187 56.007 78.479 40.505 1.00 57.60 N +ATOM 5976 CA TRP C 187 56.259 79.487 39.488 1.00 58.99 C +ATOM 5977 C TRP C 187 55.125 80.495 39.366 1.00 57.24 C +ATOM 5978 O TRP C 187 55.437 81.684 39.454 1.00 56.67 O +ATOM 5979 CB TRP C 187 56.474 78.891 38.082 1.00 62.34 C +ATOM 5980 CG TRP C 187 56.884 79.877 37.020 1.00 65.26 C +ATOM 5981 CD1 TRP C 187 56.117 80.764 36.332 1.00 65.88 C +ATOM 5982 CD2 TRP C 187 58.218 80.082 36.529 1.00 66.72 C +ATOM 5983 NE1 TRP C 187 56.865 81.516 35.458 1.00 66.67 N +ATOM 5984 CE2 TRP C 187 58.160 81.100 35.556 1.00 67.29 C +ATOM 5985 CE3 TRP C 187 59.454 79.488 36.828 1.00 66.53 C +ATOM 5986 CZ2 TRP C 187 59.296 81.541 34.870 1.00 67.67 C +ATOM 5987 CZ3 TRP C 187 60.569 79.938 36.148 1.00 67.77 C +ATOM 5988 CH2 TRP C 187 60.490 80.950 35.182 1.00 67.89 C +ATOM 5989 N SER C 188 53.865 80.064 39.224 1.00 56.04 N +ATOM 5990 CA SER C 188 52.791 81.056 39.143 1.00 56.17 C +ATOM 5991 C SER C 188 52.893 81.990 40.349 1.00 56.04 C +ATOM 5992 O SER C 188 52.825 83.212 40.248 1.00 56.30 O +ATOM 5993 CB SER C 188 51.350 80.518 39.178 1.00 54.59 C +ATOM 5994 OG SER C 188 51.270 79.326 38.422 1.00 54.14 O +ATOM 5995 N LEU C 189 53.024 81.328 41.504 1.00 55.12 N +ATOM 5996 CA LEU C 189 53.044 82.011 42.782 1.00 54.01 C +ATOM 5997 C LEU C 189 54.174 83.009 42.805 1.00 53.07 C +ATOM 5998 O LEU C 189 53.961 84.164 43.207 1.00 53.49 O +ATOM 5999 CB LEU C 189 53.041 81.007 43.939 1.00 54.88 C +ATOM 6000 CG LEU C 189 51.655 80.582 44.406 1.00 54.44 C +ATOM 6001 CD1 LEU C 189 51.697 79.744 45.659 1.00 54.76 C +ATOM 6002 CD2 LEU C 189 50.821 81.830 44.703 1.00 55.38 C +ATOM 6003 N GLY C 190 55.328 82.614 42.278 1.00 51.49 N +ATOM 6004 CA GLY C 190 56.471 83.531 42.161 1.00 49.95 C +ATOM 6005 C GLY C 190 56.055 84.745 41.344 1.00 49.60 C +ATOM 6006 O GLY C 190 56.061 85.896 41.807 1.00 48.46 O +ATOM 6007 N CYS C 191 55.503 84.444 40.151 1.00 49.24 N +ATOM 6008 CA CYS C 191 55.004 85.524 39.302 1.00 49.09 C +ATOM 6009 C CYS C 191 53.991 86.365 40.058 1.00 49.76 C +ATOM 6010 O CYS C 191 54.070 87.589 39.900 1.00 49.13 O +ATOM 6011 CB CYS C 191 54.441 84.966 37.999 1.00 48.60 C +ATOM 6012 SG CYS C 191 55.715 84.157 36.995 1.00 45.94 S +ATOM 6013 N ILE C 192 53.128 85.716 40.856 1.00 50.03 N +ATOM 6014 CA ILE C 192 52.078 86.430 41.585 1.00 50.80 C +ATOM 6015 C ILE C 192 52.475 87.420 42.653 1.00 50.86 C +ATOM 6016 O ILE C 192 51.844 88.465 42.824 1.00 50.40 O +ATOM 6017 CB ILE C 192 51.074 85.420 42.215 1.00 50.46 C +ATOM 6018 CG1 ILE C 192 50.400 84.690 41.047 1.00 50.63 C +ATOM 6019 CG2 ILE C 192 50.068 86.084 43.132 1.00 49.10 C +ATOM 6020 CD1 ILE C 192 49.063 84.071 41.358 1.00 51.67 C +ATOM 6021 N PHE C 193 53.435 87.072 43.485 1.00 52.31 N +ATOM 6022 CA PHE C 193 53.946 87.974 44.527 1.00 52.22 C +ATOM 6023 C PHE C 193 54.651 89.174 43.881 1.00 51.09 C +ATOM 6024 O PHE C 193 54.490 90.331 44.300 1.00 48.02 O +ATOM 6025 CB PHE C 193 54.860 87.104 45.350 1.00 53.88 C +ATOM 6026 CG PHE C 193 55.999 87.585 46.163 1.00 55.31 C +ATOM 6027 CD1 PHE C 193 55.956 88.746 46.911 1.00 54.80 C +ATOM 6028 CD2 PHE C 193 57.145 86.802 46.247 1.00 55.87 C +ATOM 6029 CE1 PHE C 193 57.033 89.124 47.685 1.00 54.56 C +ATOM 6030 CE2 PHE C 193 58.225 87.161 47.047 1.00 55.57 C +ATOM 6031 CZ PHE C 193 58.163 88.340 47.744 1.00 55.32 C +ATOM 6032 N ALA C 194 55.379 88.918 42.795 1.00 50.58 N +ATOM 6033 CA ALA C 194 56.075 89.987 42.060 1.00 52.36 C +ATOM 6034 C ALA C 194 55.069 91.112 41.787 1.00 53.33 C +ATOM 6035 O ALA C 194 55.259 92.232 42.244 1.00 53.63 O +ATOM 6036 CB ALA C 194 56.761 89.561 40.776 1.00 51.60 C +ATOM 6037 N GLU C 195 53.935 90.762 41.199 1.00 54.82 N +ATOM 6038 CA GLU C 195 52.783 91.556 40.883 1.00 56.56 C +ATOM 6039 C GLU C 195 52.150 92.270 42.078 1.00 59.32 C +ATOM 6040 O GLU C 195 51.668 93.407 42.123 1.00 59.70 O +ATOM 6041 CB GLU C 195 51.692 90.706 40.249 1.00 55.06 C +ATOM 6042 CG GLU C 195 51.667 90.248 38.825 1.00 53.40 C +ATOM 6043 CD GLU C 195 50.252 90.248 38.260 1.00 53.72 C +ATOM 6044 OE1 GLU C 195 49.771 89.383 37.495 1.00 53.97 O +ATOM 6045 OE2 GLU C 195 49.526 91.213 38.604 1.00 54.06 O +ATOM 6046 N MET C 196 52.169 91.545 43.197 1.00 62.67 N +ATOM 6047 CA MET C 196 51.697 92.100 44.465 1.00 64.62 C +ATOM 6048 C MET C 196 52.558 93.323 44.775 1.00 66.80 C +ATOM 6049 O MET C 196 52.088 94.335 45.301 1.00 67.68 O +ATOM 6050 CB MET C 196 51.688 91.010 45.539 1.00 62.51 C +ATOM 6051 CG MET C 196 50.247 90.639 45.870 1.00 60.90 C +ATOM 6052 SD MET C 196 50.052 89.277 47.020 1.00 58.11 S +ATOM 6053 CE MET C 196 50.328 87.884 45.923 1.00 58.18 C +ATOM 6054 N VAL C 197 53.836 93.290 44.405 1.00 69.56 N +ATOM 6055 CA VAL C 197 54.735 94.390 44.673 1.00 72.25 C +ATOM 6056 C VAL C 197 54.922 95.400 43.548 1.00 72.86 C +ATOM 6057 O VAL C 197 54.672 96.609 43.695 1.00 72.22 O +ATOM 6058 CB VAL C 197 56.096 93.780 45.079 1.00 73.41 C +ATOM 6059 CG1 VAL C 197 56.947 94.902 45.656 1.00 74.15 C +ATOM 6060 CG2 VAL C 197 55.917 92.660 46.095 1.00 73.69 C +ATOM 6061 N THR C 198 55.305 94.904 42.372 1.00 73.27 N +ATOM 6062 CA THR C 198 55.576 95.702 41.197 1.00 73.65 C +ATOM 6063 C THR C 198 54.370 96.362 40.549 1.00 74.60 C +ATOM 6064 O THR C 198 54.535 97.160 39.627 1.00 74.00 O +ATOM 6065 CB THR C 198 56.197 94.889 40.034 1.00 72.59 C +ATOM 6066 OG1 THR C 198 55.205 94.030 39.440 1.00 72.96 O +ATOM 6067 CG2 THR C 198 57.373 94.051 40.467 1.00 72.13 C +ATOM 6068 N ARG C 199 53.182 95.946 40.923 1.00 76.12 N +ATOM 6069 CA ARG C 199 51.891 96.363 40.445 1.00 77.72 C +ATOM 6070 C ARG C 199 51.592 95.986 38.997 1.00 77.12 C +ATOM 6071 O ARG C 199 50.745 96.592 38.351 1.00 76.84 O +ATOM 6072 CB ARG C 199 51.654 97.846 40.662 1.00 79.95 C +ATOM 6073 CG ARG C 199 51.979 98.301 42.087 1.00 83.52 C +ATOM 6074 CD ARG C 199 50.780 99.118 42.490 1.00 86.20 C +ATOM 6075 NE ARG C 199 50.920 100.335 43.177 1.00 89.18 N +ATOM 6076 CZ ARG C 199 51.602 101.325 43.658 1.00 90.73 C +ATOM 6077 NH1 ARG C 199 50.989 102.352 44.250 1.00 89.82 N +ATOM 6078 NH2 ARG C 199 52.933 101.379 43.668 1.00 90.00 N +ATOM 6079 N ARG C 200 52.251 94.959 38.496 1.00 76.36 N +ATOM 6080 CA ARG C 200 52.027 94.491 37.147 1.00 76.18 C +ATOM 6081 C ARG C 200 52.691 93.122 36.997 1.00 72.28 C +ATOM 6082 O ARG C 200 53.568 92.769 37.776 1.00 70.94 O +ATOM 6083 CB ARG C 200 52.590 95.370 36.042 1.00 81.39 C +ATOM 6084 CG ARG C 200 54.087 95.249 35.830 1.00 87.29 C +ATOM 6085 CD ARG C 200 54.846 96.333 36.583 1.00 92.53 C +ATOM 6086 NE ARG C 200 56.013 96.784 35.838 1.00 97.39 N +ATOM 6087 CZ ARG C 200 56.035 97.150 34.555 1.00 99.97 C +ATOM 6088 NH1 ARG C 200 54.949 97.138 33.783 1.00100.16 N +ATOM 6089 NH2 ARG C 200 57.191 97.550 34.023 1.00100.68 N +ATOM 6090 N ALA C 201 52.248 92.445 35.956 1.00 68.12 N +ATOM 6091 CA ALA C 201 52.802 91.118 35.737 1.00 66.25 C +ATOM 6092 C ALA C 201 54.286 91.223 35.421 1.00 65.36 C +ATOM 6093 O ALA C 201 54.857 92.187 34.960 1.00 65.79 O +ATOM 6094 CB ALA C 201 52.038 90.291 34.737 1.00 65.24 C +ATOM 6095 N LEU C 202 54.920 90.106 35.731 1.00 64.32 N +ATOM 6096 CA LEU C 202 56.339 89.876 35.529 1.00 62.03 C +ATOM 6097 C LEU C 202 56.610 89.420 34.112 1.00 60.10 C +ATOM 6098 O LEU C 202 57.619 89.850 33.532 1.00 60.40 O +ATOM 6099 CB LEU C 202 56.803 88.807 36.518 1.00 61.98 C +ATOM 6100 CG LEU C 202 58.266 88.836 36.919 1.00 62.90 C +ATOM 6101 CD1 LEU C 202 58.789 90.239 37.203 1.00 62.88 C +ATOM 6102 CD2 LEU C 202 58.473 87.991 38.181 1.00 63.24 C +ATOM 6103 N PHE C 203 55.779 88.509 33.580 1.00 56.77 N +ATOM 6104 CA PHE C 203 55.925 88.025 32.235 1.00 55.89 C +ATOM 6105 C PHE C 203 54.653 88.033 31.411 1.00 55.25 C +ATOM 6106 O PHE C 203 54.199 86.981 30.918 1.00 54.93 O +ATOM 6107 CB PHE C 203 56.471 86.592 32.073 1.00 56.09 C +ATOM 6108 CG PHE C 203 57.667 86.369 32.935 1.00 56.95 C +ATOM 6109 CD1 PHE C 203 58.804 87.167 32.789 1.00 57.47 C +ATOM 6110 CD2 PHE C 203 57.626 85.402 33.921 1.00 56.91 C +ATOM 6111 CE1 PHE C 203 59.882 87.022 33.636 1.00 56.64 C +ATOM 6112 CE2 PHE C 203 58.722 85.244 34.759 1.00 56.74 C +ATOM 6113 CZ PHE C 203 59.827 86.060 34.612 1.00 56.28 C +ATOM 6114 N PRO C 204 54.174 89.232 31.100 1.00 54.98 N +ATOM 6115 CA PRO C 204 52.998 89.356 30.245 1.00 54.07 C +ATOM 6116 C PRO C 204 53.266 88.969 28.810 1.00 53.69 C +ATOM 6117 O PRO C 204 52.970 89.828 27.966 1.00 54.34 O +ATOM 6118 CB PRO C 204 52.634 90.838 30.329 1.00 54.31 C +ATOM 6119 CG PRO C 204 53.914 91.510 30.677 1.00 54.20 C +ATOM 6120 CD PRO C 204 54.624 90.547 31.595 1.00 54.00 C +ATOM 6121 N GLY C 205 53.645 87.760 28.404 1.00 53.40 N +ATOM 6122 CA GLY C 205 53.844 87.479 26.994 1.00 53.50 C +ATOM 6123 C GLY C 205 52.615 87.436 26.100 1.00 53.33 C +ATOM 6124 O GLY C 205 51.489 87.150 26.498 1.00 53.01 O +ATOM 6125 N ASP C 206 52.873 87.697 24.827 1.00 53.50 N +ATOM 6126 CA ASP C 206 51.936 87.771 23.732 1.00 54.47 C +ATOM 6127 C ASP C 206 51.801 86.442 23.013 1.00 53.65 C +ATOM 6128 O ASP C 206 50.861 86.237 22.266 1.00 52.51 O +ATOM 6129 CB ASP C 206 52.377 88.854 22.738 1.00 57.11 C +ATOM 6130 CG ASP C 206 52.052 90.249 23.265 1.00 59.05 C +ATOM 6131 OD1 ASP C 206 53.008 90.990 23.586 1.00 58.73 O +ATOM 6132 OD2 ASP C 206 50.823 90.524 23.342 1.00 59.76 O +ATOM 6133 N SER C 207 52.749 85.561 23.274 1.00 54.32 N +ATOM 6134 CA SER C 207 52.714 84.190 22.815 1.00 55.11 C +ATOM 6135 C SER C 207 53.837 83.423 23.524 1.00 55.21 C +ATOM 6136 O SER C 207 54.678 83.905 24.265 1.00 52.68 O +ATOM 6137 CB SER C 207 52.647 84.004 21.318 1.00 54.87 C +ATOM 6138 OG SER C 207 53.777 84.415 20.606 1.00 55.05 O +ATOM 6139 N GLU C 208 53.822 82.126 23.249 1.00 56.90 N +ATOM 6140 CA GLU C 208 54.744 81.166 23.802 1.00 59.19 C +ATOM 6141 C GLU C 208 56.199 81.415 23.457 1.00 59.84 C +ATOM 6142 O GLU C 208 57.063 80.826 24.103 1.00 61.74 O +ATOM 6143 CB GLU C 208 54.358 79.810 23.248 1.00 59.80 C +ATOM 6144 CG GLU C 208 53.137 79.184 23.912 1.00 60.75 C +ATOM 6145 CD GLU C 208 53.060 77.794 23.264 1.00 62.54 C +ATOM 6146 OE1 GLU C 208 54.142 77.147 23.202 1.00 63.64 O +ATOM 6147 OE2 GLU C 208 51.962 77.407 22.821 1.00 61.77 O +ATOM 6148 N ILE C 209 56.437 82.153 22.378 1.00 60.13 N +ATOM 6149 CA ILE C 209 57.814 82.534 22.099 1.00 59.06 C +ATOM 6150 C ILE C 209 57.907 83.905 22.759 1.00 58.64 C +ATOM 6151 O ILE C 209 58.893 84.058 23.508 1.00 60.13 O +ATOM 6152 CB ILE C 209 58.253 82.354 20.654 1.00 58.72 C +ATOM 6153 CG1 ILE C 209 59.791 82.330 20.609 1.00 57.60 C +ATOM 6154 CG2 ILE C 209 57.666 83.405 19.720 1.00 58.89 C +ATOM 6155 CD1 ILE C 209 60.486 81.063 21.046 1.00 55.91 C +ATOM 6156 N ASP C 210 56.896 84.775 22.769 1.00 56.08 N +ATOM 6157 CA ASP C 210 57.072 86.019 23.518 1.00 54.98 C +ATOM 6158 C ASP C 210 57.361 85.692 24.980 1.00 53.77 C +ATOM 6159 O ASP C 210 58.329 86.177 25.548 1.00 53.58 O +ATOM 6160 CB ASP C 210 55.868 86.952 23.397 1.00 56.82 C +ATOM 6161 CG ASP C 210 56.133 88.220 24.183 1.00 58.41 C +ATOM 6162 OD1 ASP C 210 57.320 88.608 24.300 1.00 59.99 O +ATOM 6163 OD2 ASP C 210 55.181 88.822 24.713 1.00 59.44 O +ATOM 6164 N GLN C 211 56.524 84.815 25.534 1.00 52.85 N +ATOM 6165 CA GLN C 211 56.656 84.311 26.867 1.00 52.94 C +ATOM 6166 C GLN C 211 58.058 83.828 27.214 1.00 53.48 C +ATOM 6167 O GLN C 211 58.653 84.414 28.139 1.00 52.86 O +ATOM 6168 CB GLN C 211 55.649 83.170 27.117 1.00 53.60 C +ATOM 6169 CG GLN C 211 55.373 82.997 28.612 1.00 53.50 C +ATOM 6170 CD GLN C 211 54.841 84.296 29.197 1.00 53.36 C +ATOM 6171 OE1 GLN C 211 54.150 85.076 28.560 1.00 54.03 O +ATOM 6172 NE2 GLN C 211 55.131 84.579 30.450 1.00 52.23 N +ATOM 6173 N LEU C 212 58.636 82.805 26.568 1.00 53.18 N +ATOM 6174 CA LEU C 212 59.977 82.375 26.988 1.00 54.59 C +ATOM 6175 C LEU C 212 60.972 83.547 27.042 1.00 55.98 C +ATOM 6176 O LEU C 212 61.682 83.745 28.024 1.00 55.42 O +ATOM 6177 CB LEU C 212 60.661 81.380 26.063 1.00 52.65 C +ATOM 6178 CG LEU C 212 60.259 79.928 25.932 1.00 51.25 C +ATOM 6179 CD1 LEU C 212 60.926 79.316 24.710 1.00 50.59 C +ATOM 6180 CD2 LEU C 212 60.590 79.083 27.156 1.00 50.99 C +ATOM 6181 N PHE C 213 60.983 84.293 25.919 1.00 58.14 N +ATOM 6182 CA PHE C 213 61.938 85.383 25.788 1.00 58.81 C +ATOM 6183 C PHE C 213 61.662 86.398 26.875 1.00 57.71 C +ATOM 6184 O PHE C 213 62.708 86.718 27.453 1.00 58.82 O +ATOM 6185 CB PHE C 213 62.070 86.061 24.457 1.00 60.10 C +ATOM 6186 CG PHE C 213 62.379 85.209 23.271 1.00 60.38 C +ATOM 6187 CD1 PHE C 213 62.627 83.853 23.370 1.00 60.84 C +ATOM 6188 CD2 PHE C 213 62.446 85.823 22.021 1.00 61.71 C +ATOM 6189 CE1 PHE C 213 62.910 83.110 22.252 1.00 61.51 C +ATOM 6190 CE2 PHE C 213 62.723 85.075 20.886 1.00 61.72 C +ATOM 6191 CZ PHE C 213 62.963 83.721 21.008 1.00 60.99 C +ATOM 6192 N ARG C 214 60.445 86.760 27.237 1.00 56.68 N +ATOM 6193 CA ARG C 214 60.412 87.635 28.426 1.00 58.37 C +ATOM 6194 C ARG C 214 61.111 86.952 29.609 1.00 58.33 C +ATOM 6195 O ARG C 214 61.832 87.586 30.407 1.00 57.93 O +ATOM 6196 CB ARG C 214 58.977 88.089 28.666 1.00 57.24 C +ATOM 6197 CG ARG C 214 58.366 88.552 27.367 1.00 57.54 C +ATOM 6198 CD ARG C 214 56.945 89.027 27.276 1.00 58.04 C +ATOM 6199 NE ARG C 214 56.673 90.392 27.642 1.00 57.71 N +ATOM 6200 CZ ARG C 214 56.018 91.437 27.157 1.00 56.85 C +ATOM 6201 NH1 ARG C 214 56.005 92.557 27.891 1.00 57.79 N +ATOM 6202 NH2 ARG C 214 55.388 91.484 25.982 1.00 56.24 N +ATOM 6203 N ILE C 215 60.992 85.617 29.786 1.00 59.49 N +ATOM 6204 CA ILE C 215 61.628 84.909 30.877 1.00 59.77 C +ATOM 6205 C ILE C 215 63.154 85.017 30.707 1.00 59.10 C +ATOM 6206 O ILE C 215 63.841 85.324 31.666 1.00 59.33 O +ATOM 6207 CB ILE C 215 61.336 83.420 31.097 1.00 60.14 C +ATOM 6208 CG1 ILE C 215 60.148 82.810 30.385 1.00 60.18 C +ATOM 6209 CG2 ILE C 215 61.196 83.213 32.616 1.00 60.85 C +ATOM 6210 CD1 ILE C 215 58.737 82.895 30.846 1.00 59.27 C +ATOM 6211 N PHE C 216 63.582 84.822 29.465 1.00 58.20 N +ATOM 6212 CA PHE C 216 64.979 84.971 29.108 1.00 57.95 C +ATOM 6213 C PHE C 216 65.435 86.410 29.260 1.00 57.79 C +ATOM 6214 O PHE C 216 66.561 86.609 29.744 1.00 57.05 O +ATOM 6215 CB PHE C 216 65.277 84.491 27.697 1.00 57.72 C +ATOM 6216 CG PHE C 216 64.908 83.063 27.419 1.00 58.32 C +ATOM 6217 CD1 PHE C 216 64.479 82.181 28.404 1.00 58.74 C +ATOM 6218 CD2 PHE C 216 65.011 82.596 26.104 1.00 58.15 C +ATOM 6219 CE1 PHE C 216 64.136 80.877 28.120 1.00 58.21 C +ATOM 6220 CE2 PHE C 216 64.684 81.295 25.801 1.00 58.03 C +ATOM 6221 CZ PHE C 216 64.258 80.444 26.812 1.00 58.05 C +ATOM 6222 N ARG C 217 64.601 87.413 28.964 1.00 58.16 N +ATOM 6223 CA ARG C 217 65.171 88.749 29.210 1.00 59.72 C +ATOM 6224 C ARG C 217 65.296 89.031 30.694 1.00 59.44 C +ATOM 6225 O ARG C 217 66.076 89.937 30.967 1.00 58.71 O +ATOM 6226 CB ARG C 217 64.511 89.879 28.455 1.00 60.78 C +ATOM 6227 CG ARG C 217 64.993 89.946 26.999 1.00 61.87 C +ATOM 6228 CD ARG C 217 63.885 90.583 26.188 1.00 63.94 C +ATOM 6229 NE ARG C 217 63.601 89.981 24.883 1.00 65.08 N +ATOM 6230 CZ ARG C 217 62.317 89.809 24.508 1.00 65.27 C +ATOM 6231 NH1 ARG C 217 61.325 90.162 25.324 1.00 66.61 N +ATOM 6232 NH2 ARG C 217 61.999 89.272 23.342 1.00 64.57 N +ATOM 6233 N THR C 218 64.662 88.317 31.617 1.00 60.46 N +ATOM 6234 CA THR C 218 64.768 88.598 33.039 1.00 61.68 C +ATOM 6235 C THR C 218 65.608 87.634 33.865 1.00 61.13 C +ATOM 6236 O THR C 218 66.157 87.966 34.920 1.00 61.62 O +ATOM 6237 CB THR C 218 63.340 88.435 33.617 1.00 62.99 C +ATOM 6238 OG1 THR C 218 62.441 88.656 32.521 1.00 62.27 O +ATOM 6239 CG2 THR C 218 63.075 89.382 34.761 1.00 62.84 C +ATOM 6240 N LEU C 219 65.580 86.375 33.411 1.00 61.17 N +ATOM 6241 CA LEU C 219 66.279 85.299 34.125 1.00 60.42 C +ATOM 6242 C LEU C 219 67.589 84.994 33.413 1.00 60.71 C +ATOM 6243 O LEU C 219 68.556 84.472 33.981 1.00 61.21 O +ATOM 6244 CB LEU C 219 65.350 84.108 34.224 1.00 56.78 C +ATOM 6245 CG LEU C 219 63.997 84.376 34.893 1.00 55.00 C +ATOM 6246 CD1 LEU C 219 63.362 83.049 35.227 1.00 53.72 C +ATOM 6247 CD2 LEU C 219 64.103 85.271 36.121 1.00 54.58 C +ATOM 6248 N GLY C 220 67.565 85.443 32.146 1.00 61.29 N +ATOM 6249 CA GLY C 220 68.752 85.273 31.313 1.00 62.32 C +ATOM 6250 C GLY C 220 68.685 83.854 30.781 1.00 62.78 C +ATOM 6251 O GLY C 220 68.544 82.939 31.586 1.00 63.85 O +ATOM 6252 N THR C 221 68.709 83.737 29.464 1.00 64.79 N +ATOM 6253 CA THR C 221 68.668 82.402 28.848 1.00 66.57 C +ATOM 6254 C THR C 221 69.474 81.453 29.722 1.00 68.23 C +ATOM 6255 O THR C 221 70.612 81.694 30.118 1.00 67.11 O +ATOM 6256 CB THR C 221 69.255 82.523 27.442 1.00 66.68 C +ATOM 6257 OG1 THR C 221 68.951 83.864 27.012 1.00 67.13 O +ATOM 6258 CG2 THR C 221 68.687 81.539 26.450 1.00 66.66 C +ATOM 6259 N PRO C 222 68.763 80.429 30.181 1.00 70.86 N +ATOM 6260 CA PRO C 222 69.393 79.425 31.026 1.00 72.55 C +ATOM 6261 C PRO C 222 70.313 78.696 30.046 1.00 74.43 C +ATOM 6262 O PRO C 222 70.113 78.781 28.831 1.00 73.46 O +ATOM 6263 CB PRO C 222 68.211 78.562 31.448 1.00 72.32 C +ATOM 6264 CG PRO C 222 67.397 78.537 30.185 1.00 71.54 C +ATOM 6265 CD PRO C 222 67.405 79.999 29.769 1.00 71.16 C +ATOM 6266 N ASP C 223 71.288 78.027 30.623 1.00 77.43 N +ATOM 6267 CA ASP C 223 72.177 77.202 29.806 1.00 79.90 C +ATOM 6268 C ASP C 223 72.329 75.914 30.603 1.00 80.56 C +ATOM 6269 O ASP C 223 72.033 75.909 31.811 1.00 79.93 O +ATOM 6270 CB ASP C 223 73.484 77.910 29.511 1.00 81.54 C +ATOM 6271 CG ASP C 223 74.404 77.974 30.713 1.00 83.33 C +ATOM 6272 OD1 ASP C 223 74.864 76.861 31.066 1.00 84.62 O +ATOM 6273 OD2 ASP C 223 74.661 79.054 31.289 1.00 84.22 O +ATOM 6274 N GLU C 224 72.921 74.887 29.999 1.00 81.89 N +ATOM 6275 CA GLU C 224 73.198 73.630 30.686 1.00 81.47 C +ATOM 6276 C GLU C 224 73.877 73.765 32.045 1.00 81.91 C +ATOM 6277 O GLU C 224 73.849 72.805 32.827 1.00 81.90 O +ATOM 6278 CB GLU C 224 73.975 72.689 29.769 1.00 81.63 C +ATOM 6279 CG GLU C 224 73.113 72.081 28.677 1.00 80.94 C +ATOM 6280 CD GLU C 224 72.346 70.820 29.052 1.00 79.72 C +ATOM 6281 OE1 GLU C 224 72.577 70.268 30.160 1.00 79.04 O +ATOM 6282 OE2 GLU C 224 71.502 70.375 28.213 1.00 80.71 O +ATOM 6283 N VAL C 225 74.532 74.864 32.380 1.00 83.13 N +ATOM 6284 CA VAL C 225 75.020 75.137 33.720 1.00 83.96 C +ATOM 6285 C VAL C 225 73.688 75.351 34.449 1.00 83.45 C +ATOM 6286 O VAL C 225 72.926 74.393 34.620 1.00 83.56 O +ATOM 6287 CB VAL C 225 75.910 76.371 33.883 1.00 84.58 C +ATOM 6288 CG1 VAL C 225 76.285 76.628 35.338 1.00 85.38 C +ATOM 6289 CG2 VAL C 225 77.181 76.234 33.056 1.00 85.58 C +ATOM 6290 N VAL C 226 73.238 76.575 34.626 1.00 82.73 N +ATOM 6291 CA VAL C 226 71.959 76.929 35.230 1.00 81.34 C +ATOM 6292 C VAL C 226 70.913 75.825 35.259 1.00 79.66 C +ATOM 6293 O VAL C 226 70.332 75.588 36.332 1.00 79.84 O +ATOM 6294 CB VAL C 226 71.453 78.223 34.565 1.00 81.69 C +ATOM 6295 CG1 VAL C 226 72.271 78.574 33.327 1.00 81.58 C +ATOM 6296 CG2 VAL C 226 69.981 78.191 34.178 1.00 81.76 C +ATOM 6297 N TRP C 227 70.616 75.178 34.129 1.00 76.70 N +ATOM 6298 CA TRP C 227 69.623 74.100 34.125 1.00 73.81 C +ATOM 6299 C TRP C 227 70.003 72.922 33.236 1.00 71.36 C +ATOM 6300 O TRP C 227 69.769 72.832 32.030 1.00 70.48 O +ATOM 6301 CB TRP C 227 68.270 74.735 33.833 1.00 73.74 C +ATOM 6302 CG TRP C 227 67.044 73.946 33.508 1.00 73.19 C +ATOM 6303 CD1 TRP C 227 66.731 72.656 33.845 1.00 72.37 C +ATOM 6304 CD2 TRP C 227 65.903 74.437 32.778 1.00 73.34 C +ATOM 6305 NE1 TRP C 227 65.503 72.312 33.354 1.00 72.57 N +ATOM 6306 CE2 TRP C 227 64.966 73.391 32.698 1.00 72.94 C +ATOM 6307 CE3 TRP C 227 65.584 75.642 32.162 1.00 73.78 C +ATOM 6308 CZ2 TRP C 227 63.743 73.543 32.043 1.00 73.61 C +ATOM 6309 CZ3 TRP C 227 64.378 75.803 31.511 1.00 73.04 C +ATOM 6310 CH2 TRP C 227 63.456 74.751 31.469 1.00 73.85 C +ATOM 6311 N PRO C 228 70.624 71.913 33.846 1.00 69.67 N +ATOM 6312 CA PRO C 228 71.021 70.702 33.142 1.00 69.03 C +ATOM 6313 C PRO C 228 69.834 70.073 32.420 1.00 68.48 C +ATOM 6314 O PRO C 228 68.722 69.913 32.918 1.00 68.05 O +ATOM 6315 CB PRO C 228 71.662 69.818 34.207 1.00 68.58 C +ATOM 6316 CG PRO C 228 71.993 70.716 35.338 1.00 68.13 C +ATOM 6317 CD PRO C 228 71.015 71.865 35.280 1.00 68.95 C +ATOM 6318 N GLY C 229 70.035 69.753 31.149 1.00 69.00 N +ATOM 6319 CA GLY C 229 69.046 69.190 30.266 1.00 69.89 C +ATOM 6320 C GLY C 229 68.295 70.253 29.469 1.00 70.58 C +ATOM 6321 O GLY C 229 67.655 69.867 28.478 1.00 69.89 O +ATOM 6322 N VAL C 230 68.393 71.536 29.856 1.00 72.46 N +ATOM 6323 CA VAL C 230 67.636 72.552 29.174 1.00 75.42 C +ATOM 6324 C VAL C 230 67.745 72.382 27.646 1.00 77.62 C +ATOM 6325 O VAL C 230 66.771 72.193 26.949 1.00 76.76 O +ATOM 6326 CB VAL C 230 67.948 74.055 29.174 1.00 75.29 C +ATOM 6327 CG1 VAL C 230 66.686 74.771 28.634 1.00 76.02 C +ATOM 6328 CG2 VAL C 230 68.405 74.688 30.448 1.00 76.61 C +ATOM 6329 N THR C 231 68.975 72.576 27.195 1.00 80.69 N +ATOM 6330 CA THR C 231 69.256 72.517 25.760 1.00 84.11 C +ATOM 6331 C THR C 231 68.897 71.195 25.125 1.00 84.93 C +ATOM 6332 O THR C 231 68.648 71.166 23.906 1.00 84.99 O +ATOM 6333 CB THR C 231 70.661 73.106 25.571 1.00 85.66 C +ATOM 6334 OG1 THR C 231 71.664 72.234 26.099 1.00 86.50 O +ATOM 6335 CG2 THR C 231 70.753 74.416 26.376 1.00 86.47 C +ATOM 6336 N SER C 232 68.620 70.107 25.824 1.00 86.30 N +ATOM 6337 CA SER C 232 68.154 68.831 25.318 1.00 87.48 C +ATOM 6338 C SER C 232 66.628 68.716 25.264 1.00 88.44 C +ATOM 6339 O SER C 232 66.042 67.661 24.992 1.00 87.69 O +ATOM 6340 CB SER C 232 68.707 67.706 26.203 1.00 87.31 C +ATOM 6341 OG SER C 232 68.627 66.452 25.570 1.00 86.97 O +ATOM 6342 N MET C 233 65.972 69.850 25.512 1.00 89.26 N +ATOM 6343 CA MET C 233 64.530 69.917 25.542 1.00 89.45 C +ATOM 6344 C MET C 233 63.786 70.061 24.233 1.00 90.85 C +ATOM 6345 O MET C 233 64.235 70.654 23.256 1.00 90.78 O +ATOM 6346 CB MET C 233 64.117 71.039 26.497 1.00 89.30 C +ATOM 6347 CG MET C 233 64.296 70.495 27.930 1.00 89.01 C +ATOM 6348 SD MET C 233 62.870 71.130 28.844 1.00 88.10 S +ATOM 6349 CE MET C 233 63.368 72.846 28.902 1.00 88.18 C +ATOM 6350 N PRO C 234 62.559 69.534 24.236 1.00 91.13 N +ATOM 6351 CA PRO C 234 61.656 69.486 23.111 1.00 90.44 C +ATOM 6352 C PRO C 234 61.414 70.709 22.266 1.00 89.75 C +ATOM 6353 O PRO C 234 61.117 70.534 21.069 1.00 89.77 O +ATOM 6354 CB PRO C 234 60.321 69.015 23.722 1.00 91.05 C +ATOM 6355 CG PRO C 234 60.760 68.115 24.828 1.00 91.16 C +ATOM 6356 CD PRO C 234 61.980 68.789 25.399 1.00 90.86 C +ATOM 6357 N ASP C 235 61.378 71.916 22.821 1.00 89.22 N +ATOM 6358 CA ASP C 235 61.196 73.107 21.986 1.00 87.83 C +ATOM 6359 C ASP C 235 62.218 74.113 22.538 1.00 87.79 C +ATOM 6360 O ASP C 235 62.012 75.306 22.723 1.00 87.73 O +ATOM 6361 CB ASP C 235 59.786 73.610 21.873 1.00 87.51 C +ATOM 6362 CG ASP C 235 58.607 72.678 21.772 1.00 86.94 C +ATOM 6363 OD1 ASP C 235 58.466 71.871 20.834 1.00 86.62 O +ATOM 6364 OD2 ASP C 235 57.720 72.686 22.658 1.00 86.12 O +ATOM 6365 N TYR C 236 63.379 73.512 22.837 1.00 87.85 N +ATOM 6366 CA TYR C 236 64.559 74.240 23.263 1.00 88.06 C +ATOM 6367 C TYR C 236 65.219 74.681 21.944 1.00 88.30 C +ATOM 6368 O TYR C 236 65.481 73.763 21.142 1.00 88.62 O +ATOM 6369 CB TYR C 236 65.564 73.416 24.122 1.00 87.70 C +ATOM 6370 CG TYR C 236 66.807 74.296 24.223 1.00 87.63 C +ATOM 6371 CD1 TYR C 236 67.818 74.198 23.283 1.00 87.73 C +ATOM 6372 CD2 TYR C 236 66.896 75.289 25.184 1.00 87.99 C +ATOM 6373 CE1 TYR C 236 68.909 75.041 23.334 1.00 88.43 C +ATOM 6374 CE2 TYR C 236 67.980 76.136 25.245 1.00 88.06 C +ATOM 6375 CZ TYR C 236 68.982 76.016 24.301 1.00 88.12 C +ATOM 6376 OH TYR C 236 70.087 76.837 24.331 1.00 87.87 O +ATOM 6377 N LYS C 237 65.519 75.950 21.686 1.00 88.39 N +ATOM 6378 CA LYS C 237 66.194 76.299 20.433 1.00 88.09 C +ATOM 6379 C LYS C 237 67.579 76.910 20.650 1.00 86.33 C +ATOM 6380 O LYS C 237 67.818 77.871 21.384 1.00 86.06 O +ATOM 6381 CB LYS C 237 65.408 77.225 19.547 1.00 90.17 C +ATOM 6382 CG LYS C 237 64.080 76.984 18.929 1.00 92.84 C +ATOM 6383 CD LYS C 237 63.891 75.739 18.097 1.00 94.32 C +ATOM 6384 CE LYS C 237 63.153 74.684 18.916 1.00 94.84 C +ATOM 6385 NZ LYS C 237 62.192 73.900 18.088 1.00 97.20 N +ATOM 6386 N PRO C 238 68.571 76.371 19.938 1.00 84.58 N +ATOM 6387 CA PRO C 238 69.969 76.793 20.003 1.00 82.54 C +ATOM 6388 C PRO C 238 70.245 78.164 19.394 1.00 79.64 C +ATOM 6389 O PRO C 238 71.227 78.866 19.649 1.00 78.97 O +ATOM 6390 CB PRO C 238 70.715 75.627 19.369 1.00 83.19 C +ATOM 6391 CG PRO C 238 69.753 75.128 18.338 1.00 83.80 C +ATOM 6392 CD PRO C 238 68.405 75.221 19.010 1.00 84.38 C +ATOM 6393 N SER C 239 69.289 78.649 18.622 1.00 76.59 N +ATOM 6394 CA SER C 239 69.145 79.943 18.016 1.00 73.56 C +ATOM 6395 C SER C 239 68.711 81.005 19.034 1.00 72.24 C +ATOM 6396 O SER C 239 68.954 82.197 18.848 1.00 71.15 O +ATOM 6397 CB SER C 239 68.048 79.837 16.942 1.00 72.33 C +ATOM 6398 OG SER C 239 66.804 79.535 17.535 1.00 70.90 O +ATOM 6399 N PHE C 240 68.051 80.565 20.106 1.00 71.77 N +ATOM 6400 CA PHE C 240 67.597 81.453 21.153 1.00 71.85 C +ATOM 6401 C PHE C 240 68.681 82.490 21.459 1.00 71.56 C +ATOM 6402 O PHE C 240 69.788 82.180 21.925 1.00 71.38 O +ATOM 6403 CB PHE C 240 67.339 80.827 22.528 1.00 71.46 C +ATOM 6404 CG PHE C 240 66.069 80.066 22.713 1.00 71.23 C +ATOM 6405 CD1 PHE C 240 64.886 80.474 22.123 1.00 71.99 C +ATOM 6406 CD2 PHE C 240 66.041 78.932 23.509 1.00 71.09 C +ATOM 6407 CE1 PHE C 240 63.703 79.776 22.307 1.00 71.80 C +ATOM 6408 CE2 PHE C 240 64.876 78.219 23.696 1.00 71.30 C +ATOM 6409 CZ PHE C 240 63.712 78.648 23.097 1.00 71.40 C +ATOM 6410 N PRO C 241 68.268 83.740 21.310 1.00 71.38 N +ATOM 6411 CA PRO C 241 69.193 84.800 21.696 1.00 70.82 C +ATOM 6412 C PRO C 241 69.631 84.354 23.094 1.00 70.06 C +ATOM 6413 O PRO C 241 68.813 83.729 23.790 1.00 70.18 O +ATOM 6414 CB PRO C 241 68.333 86.043 21.718 1.00 71.14 C +ATOM 6415 CG PRO C 241 67.021 85.704 21.123 1.00 71.14 C +ATOM 6416 CD PRO C 241 66.958 84.232 20.852 1.00 71.01 C +ATOM 6417 N LYS C 242 70.881 84.592 23.426 1.00 69.48 N +ATOM 6418 CA LYS C 242 71.337 84.248 24.777 1.00 69.31 C +ATOM 6419 C LYS C 242 71.265 85.590 25.481 1.00 69.02 C +ATOM 6420 O LYS C 242 71.977 86.463 25.002 1.00 68.27 O +ATOM 6421 CB LYS C 242 72.736 83.644 24.729 1.00 69.53 C +ATOM 6422 CG LYS C 242 72.756 82.133 24.573 1.00 69.81 C +ATOM 6423 CD LYS C 242 74.189 81.627 24.429 1.00 69.52 C +ATOM 6424 CE LYS C 242 74.543 81.413 22.964 1.00 69.28 C +ATOM 6425 NZ LYS C 242 75.947 81.806 22.694 1.00 69.14 N +ATOM 6426 N TRP C 243 70.386 85.832 26.434 1.00 70.42 N +ATOM 6427 CA TRP C 243 70.306 87.095 27.153 1.00 71.19 C +ATOM 6428 C TRP C 243 71.035 86.934 28.494 1.00 73.61 C +ATOM 6429 O TRP C 243 71.599 85.861 28.691 1.00 73.48 O +ATOM 6430 CB TRP C 243 68.900 87.579 27.445 1.00 69.65 C +ATOM 6431 CG TRP C 243 68.244 88.269 26.294 1.00 67.66 C +ATOM 6432 CD1 TRP C 243 68.452 89.539 25.836 1.00 67.89 C +ATOM 6433 CD2 TRP C 243 67.255 87.689 25.448 1.00 67.21 C +ATOM 6434 NE1 TRP C 243 67.653 89.788 24.740 1.00 67.47 N +ATOM 6435 CE2 TRP C 243 66.909 88.658 24.487 1.00 67.36 C +ATOM 6436 CE3 TRP C 243 66.647 86.442 25.393 1.00 67.17 C +ATOM 6437 CZ2 TRP C 243 65.956 88.408 23.506 1.00 67.24 C +ATOM 6438 CZ3 TRP C 243 65.704 86.189 24.412 1.00 67.33 C +ATOM 6439 CH2 TRP C 243 65.362 87.178 23.493 1.00 67.35 C +ATOM 6440 N ALA C 244 70.998 87.926 29.365 1.00 77.22 N +ATOM 6441 CA ALA C 244 71.806 87.847 30.567 1.00 81.30 C +ATOM 6442 C ALA C 244 71.143 88.479 31.775 1.00 84.95 C +ATOM 6443 O ALA C 244 70.838 89.662 31.841 1.00 85.41 O +ATOM 6444 CB ALA C 244 73.107 88.598 30.277 1.00 80.76 C +ATOM 6445 N ARG C 245 71.009 87.650 32.776 1.00 89.50 N +ATOM 6446 CA ARG C 245 70.366 87.869 34.022 1.00 93.98 C +ATOM 6447 C ARG C 245 70.470 89.145 34.828 1.00 98.53 C +ATOM 6448 O ARG C 245 71.295 89.445 35.686 1.00 98.98 O +ATOM 6449 CB ARG C 245 70.791 86.661 34.892 1.00 92.80 C +ATOM 6450 CG ARG C 245 69.831 86.633 36.063 1.00 92.22 C +ATOM 6451 CD ARG C 245 69.873 85.259 36.703 1.00 91.39 C +ATOM 6452 NE ARG C 245 69.406 85.502 38.073 1.00 90.97 N +ATOM 6453 CZ ARG C 245 68.468 84.739 38.620 1.00 90.62 C +ATOM 6454 NH1 ARG C 245 67.949 83.744 37.916 1.00 90.70 N +ATOM 6455 NH2 ARG C 245 68.079 84.999 39.855 1.00 89.76 N +ATOM 6456 N GLN C 246 69.384 89.891 34.641 1.00104.06 N +ATOM 6457 CA GLN C 246 69.079 91.132 35.340 1.00108.60 C +ATOM 6458 C GLN C 246 69.121 90.881 36.846 1.00110.69 C +ATOM 6459 O GLN C 246 68.505 89.968 37.396 1.00111.11 O +ATOM 6460 CB GLN C 246 67.734 91.561 34.791 1.00110.70 C +ATOM 6461 CG GLN C 246 66.866 92.579 35.476 1.00112.53 C +ATOM 6462 CD GLN C 246 65.881 93.196 34.489 1.00113.40 C +ATOM 6463 OE1 GLN C 246 65.220 92.558 33.665 1.00114.52 O +ATOM 6464 NE2 GLN C 246 65.813 94.520 34.590 1.00114.76 N +ATOM 6465 N ASP C 247 69.957 91.689 37.495 1.00113.44 N +ATOM 6466 CA ASP C 247 70.134 91.638 38.953 1.00114.75 C +ATOM 6467 C ASP C 247 68.785 91.933 39.594 1.00113.87 C +ATOM 6468 O ASP C 247 68.133 92.958 39.436 1.00113.86 O +ATOM 6469 CB ASP C 247 71.307 92.503 39.350 1.00116.50 C +ATOM 6470 CG ASP C 247 71.239 93.474 40.491 1.00117.97 C +ATOM 6471 OD1 ASP C 247 71.836 94.567 40.324 1.00117.94 O +ATOM 6472 OD2 ASP C 247 70.634 93.214 41.549 1.00118.29 O +ATOM 6473 N PHE C 248 68.308 90.931 40.324 1.00113.21 N +ATOM 6474 CA PHE C 248 67.032 90.904 40.990 1.00112.07 C +ATOM 6475 C PHE C 248 66.465 92.203 41.482 1.00110.51 C +ATOM 6476 O PHE C 248 65.329 92.575 41.179 1.00111.26 O +ATOM 6477 CB PHE C 248 67.094 89.882 42.150 1.00112.39 C +ATOM 6478 CG PHE C 248 66.232 88.727 41.691 1.00112.22 C +ATOM 6479 CD1 PHE C 248 66.501 88.114 40.482 1.00112.81 C +ATOM 6480 CD2 PHE C 248 65.164 88.301 42.447 1.00112.96 C +ATOM 6481 CE1 PHE C 248 65.718 87.078 40.037 1.00113.25 C +ATOM 6482 CE2 PHE C 248 64.375 87.259 42.004 1.00113.70 C +ATOM 6483 CZ PHE C 248 64.653 86.643 40.801 1.00112.95 C +ATOM 6484 N SER C 249 67.249 92.969 42.214 1.00109.08 N +ATOM 6485 CA SER C 249 66.974 94.264 42.771 1.00106.66 C +ATOM 6486 C SER C 249 66.225 95.230 41.864 1.00104.17 C +ATOM 6487 O SER C 249 65.559 96.158 42.326 1.00104.16 O +ATOM 6488 CB SER C 249 68.336 94.950 43.034 1.00106.70 C +ATOM 6489 OG SER C 249 68.905 95.253 41.763 1.00107.34 O +ATOM 6490 N LYS C 250 66.435 95.103 40.564 1.00101.43 N +ATOM 6491 CA LYS C 250 65.709 95.908 39.595 1.00 98.71 C +ATOM 6492 C LYS C 250 64.510 95.088 39.138 1.00 95.86 C +ATOM 6493 O LYS C 250 63.416 95.669 39.138 1.00 96.00 O +ATOM 6494 CB LYS C 250 66.630 96.443 38.515 1.00 99.54 C +ATOM 6495 CG LYS C 250 67.297 97.751 38.947 1.00100.11 C +ATOM 6496 CD LYS C 250 68.793 97.721 38.707 1.00100.49 C +ATOM 6497 CE LYS C 250 69.185 97.544 37.248 1.00 99.88 C +ATOM 6498 NZ LYS C 250 70.510 98.191 37.000 1.00100.16 N +ATOM 6499 N VAL C 251 64.635 93.775 38.922 1.00 92.25 N +ATOM 6500 CA VAL C 251 63.460 92.960 38.583 1.00 88.14 C +ATOM 6501 C VAL C 251 62.366 93.417 39.549 1.00 85.17 C +ATOM 6502 O VAL C 251 61.404 94.079 39.156 1.00 85.34 O +ATOM 6503 CB VAL C 251 63.715 91.455 38.682 1.00 87.71 C +ATOM 6504 CG1 VAL C 251 62.433 90.633 38.769 1.00 87.52 C +ATOM 6505 CG2 VAL C 251 64.539 90.990 37.482 1.00 87.55 C +ATOM 6506 N VAL C 252 62.547 93.138 40.839 1.00 81.39 N +ATOM 6507 CA VAL C 252 61.609 93.713 41.776 1.00 78.35 C +ATOM 6508 C VAL C 252 62.409 94.654 42.681 1.00 77.26 C +ATOM 6509 O VAL C 252 63.203 94.221 43.485 1.00 76.21 O +ATOM 6510 CB VAL C 252 60.795 92.835 42.707 1.00 77.86 C +ATOM 6511 CG1 VAL C 252 59.511 93.612 43.033 1.00 77.34 C +ATOM 6512 CG2 VAL C 252 60.539 91.476 42.107 1.00 77.65 C +ATOM 6513 N PRO C 253 62.145 95.931 42.487 1.00 76.88 N +ATOM 6514 CA PRO C 253 62.842 96.961 43.234 1.00 77.20 C +ATOM 6515 C PRO C 253 62.531 96.987 44.715 1.00 77.23 C +ATOM 6516 O PRO C 253 63.396 96.804 45.594 1.00 77.19 O +ATOM 6517 CB PRO C 253 62.485 98.240 42.477 1.00 76.96 C +ATOM 6518 CG PRO C 253 62.068 97.774 41.119 1.00 76.82 C +ATOM 6519 CD PRO C 253 61.281 96.499 41.414 1.00 76.74 C +ATOM 6520 N PRO C 254 61.269 97.175 45.082 1.00 76.20 N +ATOM 6521 CA PRO C 254 60.808 97.322 46.445 1.00 75.53 C +ATOM 6522 C PRO C 254 61.231 96.382 47.545 1.00 75.24 C +ATOM 6523 O PRO C 254 61.302 96.720 48.725 1.00 74.83 O +ATOM 6524 CB PRO C 254 59.278 97.115 46.309 1.00 74.92 C +ATOM 6525 CG PRO C 254 58.989 97.791 45.025 1.00 75.24 C +ATOM 6526 CD PRO C 254 60.155 97.456 44.140 1.00 75.54 C +ATOM 6527 N LEU C 255 61.334 95.122 47.174 1.00 75.34 N +ATOM 6528 CA LEU C 255 61.616 94.026 48.078 1.00 75.48 C +ATOM 6529 C LEU C 255 63.007 94.109 48.697 1.00 77.10 C +ATOM 6530 O LEU C 255 63.988 94.469 48.057 1.00 77.48 O +ATOM 6531 CB LEU C 255 61.508 92.777 47.237 1.00 74.59 C +ATOM 6532 CG LEU C 255 60.825 91.458 47.411 1.00 73.27 C +ATOM 6533 CD1 LEU C 255 59.344 91.579 47.724 1.00 73.25 C +ATOM 6534 CD2 LEU C 255 60.944 90.636 46.118 1.00 73.00 C +ATOM 6535 N ASP C 256 63.019 93.697 49.951 1.00 78.73 N +ATOM 6536 CA ASP C 256 64.190 93.481 50.761 1.00 80.98 C +ATOM 6537 C ASP C 256 65.008 92.299 50.223 1.00 81.97 C +ATOM 6538 O ASP C 256 64.733 91.655 49.217 1.00 82.27 O +ATOM 6539 CB ASP C 256 63.763 93.076 52.181 1.00 81.90 C +ATOM 6540 CG ASP C 256 62.556 92.147 52.199 1.00 82.14 C +ATOM 6541 OD1 ASP C 256 61.630 92.477 52.973 1.00 81.95 O +ATOM 6542 OD2 ASP C 256 62.502 91.149 51.464 1.00 81.63 O +ATOM 6543 N GLU C 257 66.075 91.999 50.949 1.00 82.88 N +ATOM 6544 CA GLU C 257 67.023 90.937 50.645 1.00 83.23 C +ATOM 6545 C GLU C 257 66.320 89.596 50.768 1.00 81.04 C +ATOM 6546 O GLU C 257 66.408 88.739 49.898 1.00 80.46 O +ATOM 6547 CB GLU C 257 68.199 91.028 51.617 1.00 86.94 C +ATOM 6548 CG GLU C 257 69.305 89.995 51.580 1.00 90.21 C +ATOM 6549 CD GLU C 257 70.543 90.316 52.407 1.00 91.97 C +ATOM 6550 OE1 GLU C 257 71.624 89.732 52.115 1.00 93.06 O +ATOM 6551 OE2 GLU C 257 70.474 91.143 53.347 1.00 92.77 O +ATOM 6552 N ASP C 258 65.622 89.483 51.899 1.00 78.82 N +ATOM 6553 CA ASP C 258 64.875 88.245 52.162 1.00 76.33 C +ATOM 6554 C ASP C 258 63.924 87.987 51.012 1.00 74.16 C +ATOM 6555 O ASP C 258 64.109 87.011 50.284 1.00 73.66 O +ATOM 6556 CB ASP C 258 64.304 88.325 53.572 1.00 76.88 C +ATOM 6557 CG ASP C 258 65.284 87.640 54.527 1.00 77.22 C +ATOM 6558 OD1 ASP C 258 66.157 86.883 54.025 1.00 77.63 O +ATOM 6559 OD2 ASP C 258 65.204 87.809 55.758 1.00 77.16 O +ATOM 6560 N GLY C 259 63.041 88.935 50.746 1.00 72.85 N +ATOM 6561 CA GLY C 259 62.125 88.904 49.616 1.00 71.57 C +ATOM 6562 C GLY C 259 62.920 88.533 48.375 1.00 70.10 C +ATOM 6563 O GLY C 259 62.624 87.485 47.797 1.00 70.86 O +ATOM 6564 N ARG C 260 63.936 89.321 48.029 1.00 69.45 N +ATOM 6565 CA ARG C 260 64.730 88.871 46.890 1.00 69.95 C +ATOM 6566 C ARG C 260 65.021 87.390 47.025 1.00 68.16 C +ATOM 6567 O ARG C 260 64.616 86.671 46.104 1.00 69.35 O +ATOM 6568 CB ARG C 260 65.955 89.759 46.675 1.00 71.61 C +ATOM 6569 CG ARG C 260 65.548 90.955 45.800 1.00 72.90 C +ATOM 6570 CD ARG C 260 66.743 91.851 45.506 1.00 77.04 C +ATOM 6571 NE ARG C 260 67.504 92.100 46.706 1.00 78.33 N +ATOM 6572 CZ ARG C 260 67.495 92.961 47.702 1.00 78.22 C +ATOM 6573 NH1 ARG C 260 66.672 93.996 47.855 1.00 79.46 N +ATOM 6574 NH2 ARG C 260 68.429 92.790 48.660 1.00 81.13 N +ATOM 6575 N SER C 261 65.593 86.844 48.087 1.00 67.26 N +ATOM 6576 CA SER C 261 65.894 85.441 48.201 1.00 66.98 C +ATOM 6577 C SER C 261 64.773 84.428 48.000 1.00 65.70 C +ATOM 6578 O SER C 261 65.114 83.333 47.507 1.00 65.39 O +ATOM 6579 CB SER C 261 66.526 85.112 49.573 1.00 67.36 C +ATOM 6580 OG SER C 261 66.985 83.765 49.602 1.00 67.00 O +ATOM 6581 N LEU C 262 63.536 84.696 48.365 1.00 63.43 N +ATOM 6582 CA LEU C 262 62.460 83.719 48.182 1.00 61.81 C +ATOM 6583 C LEU C 262 62.107 83.650 46.707 1.00 61.66 C +ATOM 6584 O LEU C 262 62.443 82.756 45.949 1.00 61.02 O +ATOM 6585 CB LEU C 262 61.265 84.272 48.941 1.00 59.28 C +ATOM 6586 CG LEU C 262 60.043 83.402 49.178 1.00 56.91 C +ATOM 6587 CD1 LEU C 262 60.436 82.014 49.635 1.00 56.87 C +ATOM 6588 CD2 LEU C 262 59.183 84.093 50.231 1.00 55.41 C +ATOM 6589 N LEU C 263 61.537 84.788 46.288 1.00 61.37 N +ATOM 6590 CA LEU C 263 61.106 85.049 44.938 1.00 61.60 C +ATOM 6591 C LEU C 263 62.014 84.339 43.945 1.00 61.95 C +ATOM 6592 O LEU C 263 61.615 83.569 43.083 1.00 62.58 O +ATOM 6593 CB LEU C 263 61.119 86.542 44.611 1.00 60.42 C +ATOM 6594 CG LEU C 263 60.936 86.887 43.130 1.00 58.97 C +ATOM 6595 CD1 LEU C 263 59.762 86.132 42.539 1.00 58.98 C +ATOM 6596 CD2 LEU C 263 60.790 88.386 42.997 1.00 59.54 C +ATOM 6597 N SER C 264 63.270 84.717 44.082 1.00 61.98 N +ATOM 6598 CA SER C 264 64.374 84.170 43.334 1.00 62.75 C +ATOM 6599 C SER C 264 64.403 82.655 43.341 1.00 63.94 C +ATOM 6600 O SER C 264 64.495 82.058 42.260 1.00 64.42 O +ATOM 6601 CB SER C 264 65.649 84.724 44.011 1.00 61.93 C +ATOM 6602 OG SER C 264 65.811 84.025 45.224 1.00 60.58 O +ATOM 6603 N GLN C 265 64.292 81.981 44.502 1.00 64.45 N +ATOM 6604 CA GLN C 265 64.249 80.514 44.500 1.00 63.77 C +ATOM 6605 C GLN C 265 62.896 80.112 43.922 1.00 62.58 C +ATOM 6606 O GLN C 265 62.808 79.161 43.150 1.00 61.41 O +ATOM 6607 CB GLN C 265 64.388 79.885 45.874 1.00 65.25 C +ATOM 6608 CG GLN C 265 65.463 80.606 46.664 1.00 67.11 C +ATOM 6609 CD GLN C 265 65.564 80.221 48.127 1.00 67.54 C +ATOM 6610 OE1 GLN C 265 65.503 81.085 48.998 1.00 67.64 O +ATOM 6611 NE2 GLN C 265 65.744 78.916 48.316 1.00 67.76 N +ATOM 6612 N MET C 266 61.878 80.927 44.255 1.00 62.37 N +ATOM 6613 CA MET C 266 60.560 80.655 43.686 1.00 63.01 C +ATOM 6614 C MET C 266 60.746 80.631 42.167 1.00 63.54 C +ATOM 6615 O MET C 266 60.155 79.716 41.593 1.00 63.51 O +ATOM 6616 CB MET C 266 59.490 81.597 44.208 1.00 62.31 C +ATOM 6617 CG MET C 266 58.968 81.281 45.594 1.00 61.24 C +ATOM 6618 SD MET C 266 57.384 82.054 45.972 1.00 60.24 S +ATOM 6619 CE MET C 266 57.854 83.688 46.469 1.00 60.11 C +ATOM 6620 N LEU C 267 61.568 81.511 41.558 1.00 64.22 N +ATOM 6621 CA LEU C 267 61.791 81.446 40.121 1.00 64.84 C +ATOM 6622 C LEU C 267 62.850 80.563 39.512 1.00 65.68 C +ATOM 6623 O LEU C 267 62.807 80.441 38.282 1.00 66.07 O +ATOM 6624 CB LEU C 267 61.934 82.890 39.595 1.00 62.49 C +ATOM 6625 CG LEU C 267 60.633 83.636 39.956 1.00 61.64 C +ATOM 6626 CD1 LEU C 267 60.718 85.099 39.574 1.00 61.34 C +ATOM 6627 CD2 LEU C 267 59.431 82.956 39.299 1.00 61.23 C +ATOM 6628 N HIS C 268 63.721 79.861 40.185 1.00 67.96 N +ATOM 6629 CA HIS C 268 64.644 78.936 39.600 1.00 70.96 C +ATOM 6630 C HIS C 268 64.217 78.115 38.397 1.00 69.85 C +ATOM 6631 O HIS C 268 63.428 77.157 38.478 1.00 70.84 O +ATOM 6632 CB HIS C 268 64.897 77.844 40.682 1.00 75.52 C +ATOM 6633 CG HIS C 268 66.367 77.533 40.611 1.00 78.68 C +ATOM 6634 ND1 HIS C 268 67.184 77.961 41.632 1.00 80.45 N +ATOM 6635 CD2 HIS C 268 67.134 76.929 39.686 1.00 80.43 C +ATOM 6636 CE1 HIS C 268 68.421 77.605 41.347 1.00 81.68 C +ATOM 6637 NE2 HIS C 268 68.415 76.972 40.184 1.00 81.62 N +ATOM 6638 N TYR C 269 64.897 78.305 37.267 1.00 68.05 N +ATOM 6639 CA TYR C 269 64.600 77.510 36.103 1.00 66.65 C +ATOM 6640 C TYR C 269 64.507 76.029 36.430 1.00 67.63 C +ATOM 6641 O TYR C 269 63.564 75.415 35.904 1.00 68.29 O +ATOM 6642 CB TYR C 269 65.689 77.591 35.046 1.00 63.68 C +ATOM 6643 CG TYR C 269 65.616 78.767 34.114 1.00 61.62 C +ATOM 6644 CD1 TYR C 269 65.144 78.656 32.819 1.00 61.38 C +ATOM 6645 CD2 TYR C 269 66.007 80.024 34.534 1.00 60.98 C +ATOM 6646 CE1 TYR C 269 65.059 79.713 31.950 1.00 60.81 C +ATOM 6647 CE2 TYR C 269 65.952 81.098 33.677 1.00 60.32 C +ATOM 6648 CZ TYR C 269 65.494 80.949 32.392 1.00 60.49 C +ATOM 6649 OH TYR C 269 65.457 82.036 31.551 1.00 59.99 O +ATOM 6650 N ASP C 270 65.500 75.488 37.138 1.00 68.28 N +ATOM 6651 CA ASP C 270 65.377 74.016 37.255 1.00 69.93 C +ATOM 6652 C ASP C 270 64.363 73.569 38.267 1.00 70.82 C +ATOM 6653 O ASP C 270 64.296 73.870 39.456 1.00 70.52 O +ATOM 6654 CB ASP C 270 66.796 73.497 37.201 1.00 70.80 C +ATOM 6655 CG ASP C 270 66.911 72.089 37.720 1.00 71.72 C +ATOM 6656 OD1 ASP C 270 66.127 71.199 37.335 1.00 71.96 O +ATOM 6657 OD2 ASP C 270 67.797 71.894 38.580 1.00 72.76 O +ATOM 6658 N PRO C 271 63.390 72.811 37.724 1.00 72.18 N +ATOM 6659 CA PRO C 271 62.259 72.266 38.470 1.00 72.84 C +ATOM 6660 C PRO C 271 62.715 71.793 39.833 1.00 72.98 C +ATOM 6661 O PRO C 271 62.284 72.346 40.834 1.00 72.48 O +ATOM 6662 CB PRO C 271 61.710 71.148 37.598 1.00 72.71 C +ATOM 6663 CG PRO C 271 62.120 71.471 36.207 1.00 72.91 C +ATOM 6664 CD PRO C 271 63.321 72.374 36.303 1.00 72.83 C +ATOM 6665 N ASN C 272 63.675 70.888 39.864 1.00 74.38 N +ATOM 6666 CA ASN C 272 64.274 70.312 41.044 1.00 75.67 C +ATOM 6667 C ASN C 272 64.931 71.276 42.002 1.00 75.27 C +ATOM 6668 O ASN C 272 65.054 70.886 43.168 1.00 76.03 O +ATOM 6669 CB ASN C 272 65.283 69.216 40.637 1.00 77.19 C +ATOM 6670 CG ASN C 272 64.535 68.366 39.614 1.00 78.63 C +ATOM 6671 OD1 ASN C 272 63.888 67.393 39.987 1.00 79.22 O +ATOM 6672 ND2 ASN C 272 64.602 68.811 38.361 1.00 78.89 N +ATOM 6673 N LYS C 273 65.324 72.461 41.562 1.00 75.01 N +ATOM 6674 CA LYS C 273 65.839 73.445 42.499 1.00 74.76 C +ATOM 6675 C LYS C 273 64.645 74.275 42.962 1.00 73.52 C +ATOM 6676 O LYS C 273 64.385 74.390 44.156 1.00 75.13 O +ATOM 6677 CB LYS C 273 66.858 74.390 41.891 1.00 76.29 C +ATOM 6678 CG LYS C 273 68.062 73.717 41.252 1.00 78.46 C +ATOM 6679 CD LYS C 273 68.722 72.744 42.234 1.00 79.99 C +ATOM 6680 CE LYS C 273 69.116 71.495 41.440 1.00 78.89 C +ATOM 6681 NZ LYS C 273 69.134 70.288 42.309 1.00 80.38 N +ATOM 6682 N ARG C 274 63.941 74.854 41.990 1.00 70.87 N +ATOM 6683 CA ARG C 274 62.778 75.679 42.300 1.00 67.70 C +ATOM 6684 C ARG C 274 62.189 75.257 43.636 1.00 65.41 C +ATOM 6685 O ARG C 274 61.690 74.146 43.739 1.00 66.42 O +ATOM 6686 CB ARG C 274 61.692 75.517 41.231 1.00 66.58 C +ATOM 6687 CG ARG C 274 60.724 76.691 41.288 1.00 65.37 C +ATOM 6688 CD ARG C 274 60.118 76.977 39.940 1.00 64.30 C +ATOM 6689 NE ARG C 274 61.023 76.609 38.837 1.00 63.00 N +ATOM 6690 CZ ARG C 274 60.553 75.761 37.927 1.00 62.21 C +ATOM 6691 NH1 ARG C 274 59.308 75.350 38.142 1.00 61.83 N +ATOM 6692 NH2 ARG C 274 61.292 75.356 36.930 1.00 60.72 N +ATOM 6693 N ILE C 275 62.341 76.073 44.643 1.00 62.26 N +ATOM 6694 CA ILE C 275 61.921 75.806 46.000 1.00 60.61 C +ATOM 6695 C ILE C 275 60.538 75.256 46.239 1.00 61.82 C +ATOM 6696 O ILE C 275 59.508 75.825 45.827 1.00 63.65 O +ATOM 6697 CB ILE C 275 62.071 77.165 46.714 1.00 58.88 C +ATOM 6698 CG1 ILE C 275 61.964 77.039 48.234 1.00 58.04 C +ATOM 6699 CG2 ILE C 275 61.075 78.184 46.194 1.00 57.23 C +ATOM 6700 CD1 ILE C 275 62.506 78.321 48.874 1.00 58.17 C +ATOM 6701 N SER C 276 60.461 74.170 47.005 1.00 60.69 N +ATOM 6702 CA SER C 276 59.197 73.545 47.432 1.00 59.92 C +ATOM 6703 C SER C 276 58.281 74.571 48.063 1.00 59.62 C +ATOM 6704 O SER C 276 58.686 75.645 48.506 1.00 59.42 O +ATOM 6705 CB SER C 276 59.589 72.386 48.341 1.00 59.71 C +ATOM 6706 OG SER C 276 58.635 71.676 49.077 1.00 59.30 O +ATOM 6707 N ALA C 277 56.972 74.336 48.135 1.00 60.38 N +ATOM 6708 CA ALA C 277 56.059 75.281 48.793 1.00 60.29 C +ATOM 6709 C ALA C 277 56.375 75.209 50.295 1.00 60.55 C +ATOM 6710 O ALA C 277 56.441 76.152 51.060 1.00 57.78 O +ATOM 6711 CB ALA C 277 54.603 74.894 48.584 1.00 59.81 C +ATOM 6712 N LYS C 278 56.495 73.925 50.652 1.00 61.64 N +ATOM 6713 CA LYS C 278 56.778 73.450 51.982 1.00 62.80 C +ATOM 6714 C LYS C 278 58.013 74.144 52.544 1.00 62.74 C +ATOM 6715 O LYS C 278 57.936 74.746 53.610 1.00 61.78 O +ATOM 6716 CB LYS C 278 56.982 71.919 51.999 1.00 64.66 C +ATOM 6717 CG LYS C 278 56.761 71.374 53.408 1.00 66.43 C +ATOM 6718 CD LYS C 278 57.580 70.155 53.756 1.00 67.86 C +ATOM 6719 CE LYS C 278 57.160 68.880 53.050 1.00 68.90 C +ATOM 6720 NZ LYS C 278 55.780 68.426 53.396 1.00 68.70 N +ATOM 6721 N ALA C 279 59.121 74.071 51.800 1.00 63.07 N +ATOM 6722 CA ALA C 279 60.319 74.782 52.269 1.00 62.96 C +ATOM 6723 C ALA C 279 60.044 76.282 52.170 1.00 63.19 C +ATOM 6724 O ALA C 279 60.139 76.925 53.244 1.00 64.04 O +ATOM 6725 CB ALA C 279 61.550 74.385 51.499 1.00 63.15 C +ATOM 6726 N ALA C 280 59.552 76.821 51.049 1.00 60.92 N +ATOM 6727 CA ALA C 280 59.258 78.245 51.117 1.00 59.98 C +ATOM 6728 C ALA C 280 58.452 78.666 52.332 1.00 59.87 C +ATOM 6729 O ALA C 280 58.330 79.902 52.231 1.00 60.99 O +ATOM 6730 CB ALA C 280 58.678 78.711 49.786 1.00 59.97 C +ATOM 6731 N LEU C 281 57.918 78.069 53.399 1.00 59.45 N +ATOM 6732 CA LEU C 281 57.258 78.897 54.406 1.00 60.15 C +ATOM 6733 C LEU C 281 58.180 79.079 55.621 1.00 61.55 C +ATOM 6734 O LEU C 281 57.856 79.836 56.547 1.00 61.82 O +ATOM 6735 CB LEU C 281 55.868 78.581 54.901 1.00 58.05 C +ATOM 6736 CG LEU C 281 54.830 78.019 53.934 1.00 57.13 C +ATOM 6737 CD1 LEU C 281 54.548 76.564 54.283 1.00 57.16 C +ATOM 6738 CD2 LEU C 281 53.579 78.853 53.898 1.00 57.12 C +ATOM 6739 N ALA C 282 59.362 78.481 55.537 1.00 63.15 N +ATOM 6740 CA ALA C 282 60.344 78.673 56.613 1.00 64.15 C +ATOM 6741 C ALA C 282 61.372 79.680 56.117 1.00 64.47 C +ATOM 6742 O ALA C 282 62.549 79.454 56.401 1.00 65.83 O +ATOM 6743 CB ALA C 282 61.010 77.314 56.825 1.00 64.78 C +ATOM 6744 N HIS C 283 61.003 80.646 55.286 1.00 64.12 N +ATOM 6745 CA HIS C 283 62.113 81.456 54.770 1.00 63.97 C +ATOM 6746 C HIS C 283 62.013 82.722 55.593 1.00 64.24 C +ATOM 6747 O HIS C 283 60.915 83.190 55.863 1.00 63.98 O +ATOM 6748 CB HIS C 283 62.133 81.462 53.269 1.00 63.28 C +ATOM 6749 CG HIS C 283 63.069 82.303 52.476 1.00 62.80 C +ATOM 6750 ND1 HIS C 283 63.083 83.684 52.575 1.00 63.16 N +ATOM 6751 CD2 HIS C 283 64.011 81.996 51.549 1.00 62.65 C +ATOM 6752 CE1 HIS C 283 63.991 84.183 51.758 1.00 62.91 C +ATOM 6753 NE2 HIS C 283 64.576 83.176 51.123 1.00 62.46 N +ATOM 6754 N PRO C 284 63.192 83.222 55.962 1.00 64.09 N +ATOM 6755 CA PRO C 284 63.441 84.403 56.741 1.00 64.48 C +ATOM 6756 C PRO C 284 62.468 85.515 56.453 1.00 64.78 C +ATOM 6757 O PRO C 284 61.875 86.092 57.368 1.00 63.18 O +ATOM 6758 CB PRO C 284 64.864 84.816 56.406 1.00 64.43 C +ATOM 6759 CG PRO C 284 65.405 83.781 55.486 1.00 64.89 C +ATOM 6760 CD PRO C 284 64.496 82.594 55.602 1.00 64.80 C +ATOM 6761 N PHE C 285 62.137 85.710 55.176 1.00 66.39 N +ATOM 6762 CA PHE C 285 61.075 86.642 54.806 1.00 68.51 C +ATOM 6763 C PHE C 285 59.883 86.480 55.745 1.00 67.92 C +ATOM 6764 O PHE C 285 59.271 87.477 56.132 1.00 67.10 O +ATOM 6765 CB PHE C 285 60.705 86.304 53.369 1.00 70.37 C +ATOM 6766 CG PHE C 285 59.761 87.191 52.625 1.00 71.03 C +ATOM 6767 CD1 PHE C 285 60.195 88.415 52.138 1.00 72.51 C +ATOM 6768 CD2 PHE C 285 58.452 86.818 52.376 1.00 72.15 C +ATOM 6769 CE1 PHE C 285 59.357 89.247 51.426 1.00 73.35 C +ATOM 6770 CE2 PHE C 285 57.597 87.644 51.671 1.00 73.20 C +ATOM 6771 CZ PHE C 285 58.051 88.860 51.196 1.00 72.48 C +ATOM 6772 N PHE C 286 59.501 85.261 56.129 1.00 68.27 N +ATOM 6773 CA PHE C 286 58.363 84.987 56.979 1.00 68.61 C +ATOM 6774 C PHE C 286 58.521 85.204 58.468 1.00 71.47 C +ATOM 6775 O PHE C 286 57.472 85.377 59.119 1.00 71.52 O +ATOM 6776 CB PHE C 286 57.801 83.589 56.653 1.00 64.13 C +ATOM 6777 CG PHE C 286 57.453 83.482 55.182 1.00 60.91 C +ATOM 6778 CD1 PHE C 286 56.723 84.462 54.540 1.00 58.89 C +ATOM 6779 CD2 PHE C 286 57.888 82.386 54.439 1.00 58.78 C +ATOM 6780 CE1 PHE C 286 56.427 84.337 53.191 1.00 57.91 C +ATOM 6781 CE2 PHE C 286 57.603 82.300 53.112 1.00 56.83 C +ATOM 6782 CZ PHE C 286 56.861 83.259 52.467 1.00 56.56 C +ATOM 6783 N GLN C 287 59.703 85.403 59.039 1.00 75.06 N +ATOM 6784 CA GLN C 287 59.865 85.671 60.464 1.00 78.38 C +ATOM 6785 C GLN C 287 58.737 86.506 61.046 1.00 78.40 C +ATOM 6786 O GLN C 287 58.110 86.106 62.024 1.00 77.40 O +ATOM 6787 CB GLN C 287 61.225 86.317 60.755 1.00 80.61 C +ATOM 6788 CG GLN C 287 61.342 87.779 61.106 1.00 84.36 C +ATOM 6789 CD GLN C 287 62.405 88.606 60.417 1.00 86.33 C +ATOM 6790 OE1 GLN C 287 63.257 89.268 61.015 1.00 86.26 O +ATOM 6791 NE2 GLN C 287 62.356 88.612 59.076 1.00 86.50 N +ATOM 6792 N ASP C 288 58.465 87.671 60.477 1.00 79.29 N +ATOM 6793 CA ASP C 288 57.465 88.587 61.006 1.00 80.19 C +ATOM 6794 C ASP C 288 56.125 88.575 60.304 1.00 79.59 C +ATOM 6795 O ASP C 288 55.456 89.621 60.336 1.00 79.62 O +ATOM 6796 CB ASP C 288 58.061 90.006 61.026 1.00 80.86 C +ATOM 6797 CG ASP C 288 58.629 90.468 59.696 1.00 81.50 C +ATOM 6798 OD1 ASP C 288 58.941 89.613 58.822 1.00 81.63 O +ATOM 6799 OD2 ASP C 288 58.769 91.707 59.511 1.00 81.53 O +ATOM 6800 N VAL C 289 55.685 87.454 59.724 1.00 79.24 N +ATOM 6801 CA VAL C 289 54.366 87.472 59.097 1.00 78.50 C +ATOM 6802 C VAL C 289 53.268 87.701 60.125 1.00 78.65 C +ATOM 6803 O VAL C 289 53.208 86.897 61.045 1.00 77.88 O +ATOM 6804 CB VAL C 289 53.958 86.195 58.344 1.00 78.21 C +ATOM 6805 CG1 VAL C 289 54.272 84.941 59.138 1.00 78.13 C +ATOM 6806 CG2 VAL C 289 52.475 86.235 57.949 1.00 78.32 C +ATOM 6807 N THR C 290 52.410 88.697 59.937 1.00 79.74 N +ATOM 6808 CA THR C 290 51.245 88.771 60.835 1.00 81.45 C +ATOM 6809 C THR C 290 50.040 88.662 59.897 1.00 83.31 C +ATOM 6810 O THR C 290 50.275 88.286 58.748 1.00 82.39 O +ATOM 6811 CB THR C 290 51.126 89.940 61.793 1.00 81.48 C +ATOM 6812 OG1 THR C 290 50.237 90.955 61.302 1.00 82.20 O +ATOM 6813 CG2 THR C 290 52.479 90.592 62.068 1.00 81.99 C +ATOM 6814 N LYS C 291 48.836 88.991 60.315 1.00 86.34 N +ATOM 6815 CA LYS C 291 47.697 88.899 59.411 1.00 89.92 C +ATOM 6816 C LYS C 291 46.806 90.127 59.447 1.00 93.49 C +ATOM 6817 O LYS C 291 45.743 90.145 60.061 1.00 93.01 O +ATOM 6818 CB LYS C 291 46.892 87.624 59.686 1.00 89.93 C +ATOM 6819 CG LYS C 291 45.623 87.440 58.866 1.00 89.71 C +ATOM 6820 CD LYS C 291 45.009 86.054 59.017 1.00 89.02 C +ATOM 6821 CE LYS C 291 43.493 86.121 58.871 1.00 88.35 C +ATOM 6822 NZ LYS C 291 42.873 84.794 58.650 1.00 87.68 N +ATOM 6823 N PRO C 292 47.241 91.169 58.758 1.00 97.94 N +ATOM 6824 CA PRO C 292 46.463 92.390 58.677 1.00102.03 C +ATOM 6825 C PRO C 292 45.274 92.104 57.770 1.00108.34 C +ATOM 6826 O PRO C 292 45.190 91.187 56.962 1.00108.77 O +ATOM 6827 CB PRO C 292 47.406 93.435 58.155 1.00100.29 C +ATOM 6828 CG PRO C 292 48.716 92.785 57.921 1.00 98.73 C +ATOM 6829 CD PRO C 292 48.488 91.296 57.968 1.00 98.13 C +ATOM 6830 N VAL C 293 44.286 92.941 57.992 1.00117.16 N +ATOM 6831 CA VAL C 293 42.997 92.934 57.320 1.00125.86 C +ATOM 6832 C VAL C 293 43.010 94.044 56.289 1.00132.86 C +ATOM 6833 O VAL C 293 43.167 95.208 56.653 1.00133.12 O +ATOM 6834 CB VAL C 293 41.979 93.165 58.456 1.00125.40 C +ATOM 6835 CG1 VAL C 293 40.598 93.490 57.926 1.00126.03 C +ATOM 6836 CG2 VAL C 293 41.939 91.949 59.381 1.00126.02 C +ATOM 6837 N PRO C 294 42.904 93.711 55.008 1.00139.95 N +ATOM 6838 CA PRO C 294 42.927 94.660 53.916 1.00145.96 C +ATOM 6839 C PRO C 294 41.917 95.782 54.046 1.00152.67 C +ATOM 6840 O PRO C 294 41.014 95.696 54.876 1.00152.99 O +ATOM 6841 CB PRO C 294 42.587 93.817 52.686 1.00144.45 C +ATOM 6842 CG PRO C 294 41.952 92.581 53.221 1.00142.98 C +ATOM 6843 CD PRO C 294 42.693 92.324 54.515 1.00141.48 C +ATOM 6844 N HIS C 295 42.052 96.823 53.231 1.00160.38 N +ATOM 6845 CA HIS C 295 41.074 97.914 53.254 1.00167.79 C +ATOM 6846 C HIS C 295 39.913 97.496 52.358 1.00170.94 C +ATOM 6847 O HIS C 295 40.146 96.922 51.290 1.00171.18 O +ATOM 6848 CB HIS C 295 41.664 99.243 52.801 1.00170.48 C +ATOM 6849 CG HIS C 295 40.659 100.338 52.607 1.00172.98 C +ATOM 6850 ND1 HIS C 295 40.776 101.298 51.625 1.00173.82 N +ATOM 6851 CD2 HIS C 295 39.505 100.617 53.264 1.00173.80 C +ATOM 6852 CE1 HIS C 295 39.747 102.123 51.693 1.00174.40 C +ATOM 6853 NE2 HIS C 295 38.957 101.728 52.676 1.00174.36 N +ATOM 6854 N LEU C 296 38.681 97.678 52.802 1.00174.00 N +ATOM 6855 CA LEU C 296 37.512 97.294 52.023 1.00176.57 C +ATOM 6856 C LEU C 296 36.350 98.222 52.351 1.00177.51 C +ATOM 6857 O LEU C 296 35.838 98.124 53.490 1.00177.57 O +ATOM 6858 CB LEU C 296 37.123 95.839 52.292 1.00178.21 C +ATOM 6859 CG LEU C 296 37.965 94.765 51.589 1.00179.51 C +ATOM 6860 CD1 LEU C 296 37.770 93.404 52.215 1.00179.61 C +ATOM 6861 CD2 LEU C 296 37.675 94.763 50.096 1.00179.51 C +TER 6862 LEU C 296 +ATOM 6863 N VAL D 175 59.923 64.364 42.971 1.00128.16 N +ATOM 6864 CA VAL D 175 60.224 65.589 43.704 1.00128.01 C +ATOM 6865 C VAL D 175 60.169 65.311 45.195 1.00125.85 C +ATOM 6866 O VAL D 175 59.396 65.869 46.003 1.00126.08 O +ATOM 6867 CB VAL D 175 59.341 66.750 43.205 1.00129.26 C +ATOM 6868 CG1 VAL D 175 57.860 66.533 43.526 1.00129.21 C +ATOM 6869 CG2 VAL D 175 59.800 68.097 43.763 1.00129.31 C +ATOM 6870 N PRO D 176 60.958 64.321 45.638 1.00123.29 N +ATOM 6871 CA PRO D 176 61.047 63.920 47.031 1.00119.47 C +ATOM 6872 C PRO D 176 61.306 65.094 47.962 1.00114.06 C +ATOM 6873 O PRO D 176 62.399 65.605 48.168 1.00114.33 O +ATOM 6874 CB PRO D 176 62.181 62.907 47.104 1.00121.03 C +ATOM 6875 CG PRO D 176 62.390 62.441 45.709 1.00122.18 C +ATOM 6876 CD PRO D 176 61.923 63.551 44.807 1.00123.18 C +ATOM 6877 N ASP D 177 60.247 65.601 48.540 1.00107.26 N +ATOM 6878 CA ASP D 177 60.037 66.656 49.477 1.00100.57 C +ATOM 6879 C ASP D 177 58.561 66.415 49.905 1.00 94.66 C +ATOM 6880 O ASP D 177 58.092 66.982 50.877 1.00 94.91 O +ATOM 6881 CB ASP D 177 60.047 68.117 49.085 1.00100.57 C +ATOM 6882 CG ASP D 177 60.779 68.658 47.893 1.00 99.93 C +ATOM 6883 OD1 ASP D 177 61.788 69.378 48.074 1.00100.01 O +ATOM 6884 OD2 ASP D 177 60.349 68.398 46.742 1.00100.28 O +ATOM 6885 N TYR D 178 57.845 65.688 49.046 1.00 87.71 N +ATOM 6886 CA TYR D 178 56.448 65.369 49.312 1.00 81.40 C +ATOM 6887 C TYR D 178 56.258 63.858 49.216 1.00 79.95 C +ATOM 6888 O TYR D 178 55.244 63.300 49.653 1.00 81.07 O +ATOM 6889 CB TYR D 178 55.474 66.141 48.428 1.00 76.09 C +ATOM 6890 CG TYR D 178 55.525 67.635 48.658 1.00 71.66 C +ATOM 6891 CD1 TYR D 178 55.379 68.179 49.927 1.00 70.58 C +ATOM 6892 CD2 TYR D 178 55.761 68.505 47.611 1.00 70.57 C +ATOM 6893 CE1 TYR D 178 55.477 69.538 50.143 1.00 69.32 C +ATOM 6894 CE2 TYR D 178 55.831 69.870 47.817 1.00 69.03 C +ATOM 6895 CZ TYR D 178 55.673 70.391 49.081 1.00 68.33 C +ATOM 6896 OH TYR D 178 55.726 71.752 49.259 1.00 67.87 O +ATOM 6897 N HIS D 179 57.276 63.169 48.713 1.00 78.32 N +ATOM 6898 CA HIS D 179 57.219 61.714 48.607 1.00 77.77 C +ATOM 6899 C HIS D 179 56.681 61.130 49.897 1.00 76.68 C +ATOM 6900 O HIS D 179 55.592 60.540 49.872 1.00 76.83 O +ATOM 6901 CB HIS D 179 58.573 61.168 48.176 1.00 78.69 C +ATOM 6902 CG HIS D 179 58.822 61.227 46.696 1.00 80.27 C +ATOM 6903 ND1 HIS D 179 58.690 62.375 45.920 1.00 80.73 N +ATOM 6904 CD2 HIS D 179 59.211 60.237 45.851 1.00 80.88 C +ATOM 6905 CE1 HIS D 179 58.968 62.078 44.664 1.00 80.98 C +ATOM 6906 NE2 HIS D 179 59.302 60.803 44.596 1.00 80.53 N +ATOM 6907 N GLU D 180 57.289 61.358 51.062 1.00 75.90 N +ATOM 6908 CA GLU D 180 56.720 60.861 52.313 1.00 74.58 C +ATOM 6909 C GLU D 180 55.316 61.400 52.575 1.00 72.20 C +ATOM 6910 O GLU D 180 54.561 60.682 53.253 1.00 71.83 O +ATOM 6911 CB GLU D 180 57.607 61.207 53.486 1.00 75.96 C +ATOM 6912 CG GLU D 180 58.442 60.220 54.226 1.00 78.01 C +ATOM 6913 CD GLU D 180 58.990 59.027 53.486 1.00 79.32 C +ATOM 6914 OE1 GLU D 180 58.151 58.155 53.146 1.00 79.98 O +ATOM 6915 OE2 GLU D 180 60.224 58.947 53.271 1.00 79.98 O +ATOM 6916 N ASP D 181 54.937 62.603 52.136 1.00 69.67 N +ATOM 6917 CA ASP D 181 53.587 63.081 52.457 1.00 66.96 C +ATOM 6918 C ASP D 181 52.551 62.368 51.595 1.00 64.88 C +ATOM 6919 O ASP D 181 51.527 61.914 52.128 1.00 64.34 O +ATOM 6920 CB ASP D 181 53.500 64.592 52.400 1.00 67.33 C +ATOM 6921 CG ASP D 181 54.479 65.307 53.309 1.00 67.55 C +ATOM 6922 OD1 ASP D 181 55.471 64.685 53.768 1.00 68.41 O +ATOM 6923 OD2 ASP D 181 54.238 66.509 53.571 1.00 67.23 O +ATOM 6924 N ILE D 182 52.887 62.185 50.313 1.00 62.67 N +ATOM 6925 CA ILE D 182 51.922 61.476 49.459 1.00 60.06 C +ATOM 6926 C ILE D 182 51.840 60.018 49.805 1.00 59.69 C +ATOM 6927 O ILE D 182 50.646 59.617 49.853 1.00 59.81 O +ATOM 6928 CB ILE D 182 52.231 61.891 48.025 1.00 59.04 C +ATOM 6929 CG1 ILE D 182 51.959 63.405 47.987 1.00 57.97 C +ATOM 6930 CG2 ILE D 182 51.445 61.090 47.028 1.00 58.53 C +ATOM 6931 CD1 ILE D 182 53.016 64.141 47.212 1.00 58.19 C +ATOM 6932 N HIS D 183 52.859 59.254 50.205 1.00 59.08 N +ATOM 6933 CA HIS D 183 52.605 57.837 50.552 1.00 59.51 C +ATOM 6934 C HIS D 183 51.749 57.755 51.818 1.00 59.42 C +ATOM 6935 O HIS D 183 50.824 56.951 51.979 1.00 59.11 O +ATOM 6936 CB HIS D 183 53.821 56.954 50.738 1.00 59.63 C +ATOM 6937 CG HIS D 183 53.830 55.538 51.204 1.00 59.23 C +ATOM 6938 ND1 HIS D 183 54.285 54.490 50.427 1.00 59.25 N +ATOM 6939 CD2 HIS D 183 53.512 54.953 52.379 1.00 59.71 C +ATOM 6940 CE1 HIS D 183 54.224 53.348 51.074 1.00 59.36 C +ATOM 6941 NE2 HIS D 183 53.746 53.595 52.282 1.00 60.06 N +ATOM 6942 N THR D 184 52.092 58.644 52.758 1.00 57.63 N +ATOM 6943 CA THR D 184 51.325 58.624 54.025 1.00 55.14 C +ATOM 6944 C THR D 184 49.871 58.900 53.711 1.00 53.23 C +ATOM 6945 O THR D 184 48.999 58.139 54.133 1.00 52.36 O +ATOM 6946 CB THR D 184 52.089 59.505 55.021 1.00 54.83 C +ATOM 6947 OG1 THR D 184 53.241 58.797 55.542 1.00 56.05 O +ATOM 6948 CG2 THR D 184 51.222 59.923 56.178 1.00 54.40 C +ATOM 6949 N TYR D 185 49.534 59.885 52.889 1.00 52.34 N +ATOM 6950 CA TYR D 185 48.142 60.228 52.545 1.00 50.78 C +ATOM 6951 C TYR D 185 47.456 59.096 51.800 1.00 49.74 C +ATOM 6952 O TYR D 185 46.471 58.497 52.256 1.00 46.57 O +ATOM 6953 CB TYR D 185 48.150 61.559 51.815 1.00 49.89 C +ATOM 6954 CG TYR D 185 46.728 61.950 51.491 1.00 50.32 C +ATOM 6955 CD1 TYR D 185 45.797 62.173 52.498 1.00 49.63 C +ATOM 6956 CD2 TYR D 185 46.346 62.089 50.150 1.00 50.02 C +ATOM 6957 CE1 TYR D 185 44.496 62.512 52.191 1.00 47.36 C +ATOM 6958 CE2 TYR D 185 45.049 62.454 49.855 1.00 49.10 C +ATOM 6959 CZ TYR D 185 44.146 62.665 50.876 1.00 47.51 C +ATOM 6960 OH TYR D 185 42.869 62.990 50.503 1.00 47.25 O +ATOM 6961 N LEU D 186 48.130 58.640 50.727 1.00 50.28 N +ATOM 6962 CA LEU D 186 47.614 57.427 50.088 1.00 52.14 C +ATOM 6963 C LEU D 186 47.376 56.331 51.122 1.00 53.12 C +ATOM 6964 O LEU D 186 46.340 55.666 50.946 1.00 54.19 O +ATOM 6965 CB LEU D 186 48.625 56.957 49.051 1.00 52.69 C +ATOM 6966 CG LEU D 186 48.813 57.931 47.870 1.00 52.96 C +ATOM 6967 CD1 LEU D 186 49.984 57.523 46.979 1.00 52.68 C +ATOM 6968 CD2 LEU D 186 47.514 58.003 47.061 1.00 53.99 C +ATOM 6969 N ARG D 187 48.189 56.080 52.163 1.00 52.69 N +ATOM 6970 CA ARG D 187 47.903 54.968 53.064 1.00 52.80 C +ATOM 6971 C ARG D 187 46.585 55.189 53.808 1.00 52.44 C +ATOM 6972 O ARG D 187 45.896 54.206 54.072 1.00 52.06 O +ATOM 6973 CB ARG D 187 48.941 54.591 54.118 1.00 53.12 C +ATOM 6974 CG ARG D 187 50.245 53.929 53.805 1.00 53.37 C +ATOM 6975 CD ARG D 187 50.201 52.567 53.159 1.00 55.93 C +ATOM 6976 NE ARG D 187 50.014 51.416 54.020 1.00 58.23 N +ATOM 6977 CZ ARG D 187 50.909 50.773 54.777 1.00 58.50 C +ATOM 6978 NH1 ARG D 187 52.185 51.098 54.868 1.00 57.54 N +ATOM 6979 NH2 ARG D 187 50.467 49.761 55.523 1.00 58.85 N +ATOM 6980 N GLU D 188 46.290 56.411 54.209 1.00 52.96 N +ATOM 6981 CA GLU D 188 45.001 56.631 54.872 1.00 54.53 C +ATOM 6982 C GLU D 188 43.911 56.404 53.828 1.00 55.08 C +ATOM 6983 O GLU D 188 43.044 55.522 53.897 1.00 55.02 O +ATOM 6984 CB GLU D 188 45.063 58.060 55.383 1.00 56.16 C +ATOM 6985 CG GLU D 188 43.724 58.743 55.457 1.00 58.59 C +ATOM 6986 CD GLU D 188 43.854 60.220 55.795 1.00 60.79 C +ATOM 6987 OE1 GLU D 188 44.996 60.714 55.593 1.00 61.38 O +ATOM 6988 OE2 GLU D 188 42.853 60.851 56.230 1.00 60.90 O +ATOM 6989 N MET D 189 44.038 57.171 52.718 1.00 54.61 N +ATOM 6990 CA MET D 189 43.068 57.105 51.658 1.00 54.46 C +ATOM 6991 C MET D 189 42.922 55.666 51.179 1.00 55.18 C +ATOM 6992 O MET D 189 41.776 55.245 50.990 1.00 56.26 O +ATOM 6993 CB MET D 189 43.270 57.895 50.382 1.00 53.44 C +ATOM 6994 CG MET D 189 43.234 59.382 50.542 1.00 54.34 C +ATOM 6995 SD MET D 189 41.954 59.965 51.652 1.00 53.73 S +ATOM 6996 CE MET D 189 40.533 59.717 50.570 1.00 54.01 C +ATOM 6997 N GLU D 190 44.035 54.986 50.970 1.00 54.87 N +ATOM 6998 CA GLU D 190 43.957 53.598 50.522 1.00 54.86 C +ATOM 6999 C GLU D 190 42.927 52.830 51.329 1.00 54.15 C +ATOM 7000 O GLU D 190 42.285 52.047 50.641 1.00 54.75 O +ATOM 7001 CB GLU D 190 45.330 52.953 50.609 1.00 55.83 C +ATOM 7002 CG GLU D 190 45.379 51.473 50.998 1.00 56.39 C +ATOM 7003 CD GLU D 190 46.753 50.987 50.587 1.00 56.11 C +ATOM 7004 OE1 GLU D 190 46.872 50.320 49.560 1.00 56.14 O +ATOM 7005 OE2 GLU D 190 47.738 51.339 51.253 1.00 56.56 O +ATOM 7006 N VAL D 191 42.800 52.947 52.641 1.00 53.02 N +ATOM 7007 CA VAL D 191 41.816 52.273 53.451 1.00 52.62 C +ATOM 7008 C VAL D 191 40.436 52.912 53.278 1.00 54.43 C +ATOM 7009 O VAL D 191 39.395 52.246 53.311 1.00 54.60 O +ATOM 7010 CB VAL D 191 42.102 52.345 54.975 1.00 51.93 C +ATOM 7011 CG1 VAL D 191 40.916 51.914 55.841 1.00 51.98 C +ATOM 7012 CG2 VAL D 191 43.280 51.487 55.384 1.00 50.69 C +ATOM 7013 N LYS D 192 40.432 54.256 53.241 1.00 55.69 N +ATOM 7014 CA LYS D 192 39.114 54.865 53.043 1.00 57.35 C +ATOM 7015 C LYS D 192 38.660 54.519 51.624 1.00 58.23 C +ATOM 7016 O LYS D 192 37.515 54.040 51.557 1.00 59.91 O +ATOM 7017 CB LYS D 192 39.053 56.342 53.390 1.00 57.06 C +ATOM 7018 CG LYS D 192 39.486 56.759 54.783 1.00 55.86 C +ATOM 7019 CD LYS D 192 39.467 58.259 55.021 1.00 54.55 C +ATOM 7020 CE LYS D 192 40.197 58.629 56.300 1.00 55.59 C +ATOM 7021 NZ LYS D 192 40.014 59.985 56.890 1.00 56.28 N +ATOM 7022 N CYS D 193 39.464 54.541 50.559 1.00 57.70 N +ATOM 7023 CA CYS D 193 38.871 54.252 49.252 1.00 57.37 C +ATOM 7024 C CYS D 193 38.601 52.805 48.994 1.00 58.52 C +ATOM 7025 O CYS D 193 37.998 52.512 47.948 1.00 59.91 O +ATOM 7026 CB CYS D 193 39.502 55.122 48.141 1.00 56.36 C +ATOM 7027 SG CYS D 193 38.460 56.628 47.920 1.00 53.74 S +ATOM 7028 N LYS D 194 38.757 51.845 49.875 1.00 58.34 N +ATOM 7029 CA LYS D 194 38.453 50.443 49.814 1.00 58.18 C +ATOM 7030 C LYS D 194 37.036 49.905 49.735 1.00 56.51 C +ATOM 7031 O LYS D 194 36.190 50.347 50.515 1.00 56.64 O +ATOM 7032 CB LYS D 194 38.894 49.973 51.247 1.00 59.86 C +ATOM 7033 CG LYS D 194 38.736 48.490 51.509 1.00 62.72 C +ATOM 7034 CD LYS D 194 40.067 47.769 51.374 1.00 64.86 C +ATOM 7035 CE LYS D 194 39.879 46.305 50.996 1.00 65.53 C +ATOM 7036 NZ LYS D 194 39.616 46.158 49.525 1.00 67.37 N +ATOM 7037 N PRO D 195 36.777 48.816 49.006 1.00 54.82 N +ATOM 7038 CA PRO D 195 35.484 48.183 48.896 1.00 55.05 C +ATOM 7039 C PRO D 195 35.165 47.161 49.973 1.00 57.06 C +ATOM 7040 O PRO D 195 36.073 46.646 50.616 1.00 58.86 O +ATOM 7041 CB PRO D 195 35.536 47.325 47.628 1.00 53.26 C +ATOM 7042 CG PRO D 195 36.765 47.759 46.934 1.00 52.35 C +ATOM 7043 CD PRO D 195 37.715 48.251 48.003 1.00 52.95 C +ATOM 7044 N LYS D 196 33.897 46.826 50.085 1.00 59.08 N +ATOM 7045 CA LYS D 196 33.424 45.771 50.979 1.00 61.19 C +ATOM 7046 C LYS D 196 33.922 44.430 50.466 1.00 62.14 C +ATOM 7047 O LYS D 196 33.515 43.842 49.463 1.00 62.07 O +ATOM 7048 CB LYS D 196 31.916 45.922 51.103 1.00 62.15 C +ATOM 7049 CG LYS D 196 30.993 44.741 50.906 1.00 63.84 C +ATOM 7050 CD LYS D 196 29.510 45.088 51.075 1.00 64.17 C +ATOM 7051 CE LYS D 196 29.140 45.033 52.549 1.00 63.69 C +ATOM 7052 NZ LYS D 196 27.881 45.736 52.918 1.00 64.41 N +ATOM 7053 N VAL D 197 34.869 43.851 51.216 1.00 63.66 N +ATOM 7054 CA VAL D 197 35.490 42.556 50.928 1.00 62.90 C +ATOM 7055 C VAL D 197 34.412 41.504 50.710 1.00 61.92 C +ATOM 7056 O VAL D 197 34.653 40.634 49.850 1.00 63.20 O +ATOM 7057 CB VAL D 197 36.521 42.148 51.987 1.00 63.76 C +ATOM 7058 CG1 VAL D 197 37.229 40.842 51.647 1.00 63.79 C +ATOM 7059 CG2 VAL D 197 37.595 43.223 52.161 1.00 63.61 C +ATOM 7060 N GLY D 198 33.233 41.546 51.323 1.00 59.95 N +ATOM 7061 CA GLY D 198 32.209 40.567 51.020 1.00 58.80 C +ATOM 7062 C GLY D 198 31.090 40.904 50.061 1.00 57.00 C +ATOM 7063 O GLY D 198 30.106 40.137 50.126 1.00 58.47 O +ATOM 7064 N TYR D 199 31.123 41.873 49.156 1.00 53.75 N +ATOM 7065 CA TYR D 199 29.985 42.176 48.320 1.00 50.95 C +ATOM 7066 C TYR D 199 29.490 41.042 47.442 1.00 51.45 C +ATOM 7067 O TYR D 199 28.252 40.897 47.292 1.00 51.16 O +ATOM 7068 CB TYR D 199 30.310 43.439 47.531 1.00 49.30 C +ATOM 7069 CG TYR D 199 31.091 43.368 46.247 1.00 45.87 C +ATOM 7070 CD1 TYR D 199 30.587 42.729 45.131 1.00 44.62 C +ATOM 7071 CD2 TYR D 199 32.310 44.011 46.110 1.00 44.44 C +ATOM 7072 CE1 TYR D 199 31.280 42.703 43.932 1.00 43.91 C +ATOM 7073 CE2 TYR D 199 33.016 43.993 44.921 1.00 43.04 C +ATOM 7074 CZ TYR D 199 32.491 43.336 43.837 1.00 43.72 C +ATOM 7075 OH TYR D 199 33.183 43.247 42.654 1.00 45.00 O +ATOM 7076 N MET D 200 30.373 40.232 46.854 1.00 51.18 N +ATOM 7077 CA MET D 200 29.885 39.187 45.947 1.00 52.64 C +ATOM 7078 C MET D 200 28.922 38.207 46.560 1.00 55.44 C +ATOM 7079 O MET D 200 27.858 37.968 45.975 1.00 55.59 O +ATOM 7080 CB MET D 200 31.035 38.517 45.215 1.00 51.53 C +ATOM 7081 CG MET D 200 30.681 38.144 43.795 1.00 50.08 C +ATOM 7082 SD MET D 200 30.303 39.463 42.689 1.00 47.75 S +ATOM 7083 CE MET D 200 31.825 40.032 41.999 1.00 48.68 C +ATOM 7084 N LYS D 201 29.119 37.711 47.771 1.00 59.12 N +ATOM 7085 CA LYS D 201 28.198 36.846 48.472 1.00 62.96 C +ATOM 7086 C LYS D 201 26.789 37.449 48.505 1.00 63.23 C +ATOM 7087 O LYS D 201 25.817 36.686 48.605 1.00 63.85 O +ATOM 7088 CB LYS D 201 28.656 36.550 49.893 1.00 65.95 C +ATOM 7089 CG LYS D 201 29.627 35.459 50.250 1.00 69.22 C +ATOM 7090 CD LYS D 201 29.401 34.931 51.673 1.00 71.98 C +ATOM 7091 CE LYS D 201 28.411 33.803 51.831 1.00 73.66 C +ATOM 7092 NZ LYS D 201 26.968 34.108 52.072 1.00 74.86 N +ATOM 7093 N LYS D 202 26.602 38.764 48.509 1.00 63.16 N +ATOM 7094 CA LYS D 202 25.229 39.266 48.483 1.00 63.07 C +ATOM 7095 C LYS D 202 24.907 39.976 47.173 1.00 60.11 C +ATOM 7096 O LYS D 202 24.095 40.895 47.194 1.00 58.41 O +ATOM 7097 CB LYS D 202 24.796 40.037 49.718 1.00 64.94 C +ATOM 7098 CG LYS D 202 25.836 40.458 50.735 1.00 66.50 C +ATOM 7099 CD LYS D 202 25.319 40.162 52.141 1.00 67.76 C +ATOM 7100 CE LYS D 202 25.367 38.658 52.396 1.00 69.15 C +ATOM 7101 NZ LYS D 202 24.454 38.289 53.534 1.00 69.83 N +ATOM 7102 N GLN D 203 25.525 39.540 46.080 1.00 57.20 N +ATOM 7103 CA GLN D 203 25.184 40.041 44.739 1.00 54.65 C +ATOM 7104 C GLN D 203 24.469 38.822 44.170 1.00 53.85 C +ATOM 7105 O GLN D 203 25.022 37.823 43.725 1.00 54.98 O +ATOM 7106 CB GLN D 203 26.342 40.534 43.920 1.00 52.67 C +ATOM 7107 CG GLN D 203 26.734 41.950 44.269 1.00 51.86 C +ATOM 7108 CD GLN D 203 26.013 43.001 43.453 1.00 51.29 C +ATOM 7109 OE1 GLN D 203 24.987 42.726 42.833 1.00 52.23 O +ATOM 7110 NE2 GLN D 203 26.587 44.190 43.424 1.00 49.24 N +ATOM 7111 N PRO D 204 23.149 38.881 44.258 1.00 52.17 N +ATOM 7112 CA PRO D 204 22.296 37.747 43.982 1.00 51.20 C +ATOM 7113 C PRO D 204 22.625 37.048 42.694 1.00 50.33 C +ATOM 7114 O PRO D 204 22.664 35.830 42.575 1.00 49.24 O +ATOM 7115 CB PRO D 204 20.867 38.278 44.076 1.00 51.13 C +ATOM 7116 CG PRO D 204 21.037 39.758 44.019 1.00 52.73 C +ATOM 7117 CD PRO D 204 22.330 40.008 44.768 1.00 51.92 C +ATOM 7118 N ASP D 205 22.858 37.888 41.716 1.00 51.58 N +ATOM 7119 CA ASP D 205 23.096 37.534 40.339 1.00 51.43 C +ATOM 7120 C ASP D 205 24.519 37.675 39.879 1.00 50.40 C +ATOM 7121 O ASP D 205 24.686 37.173 38.759 1.00 49.32 O +ATOM 7122 CB ASP D 205 22.107 38.347 39.499 1.00 52.52 C +ATOM 7123 CG ASP D 205 21.737 37.733 38.173 1.00 54.68 C +ATOM 7124 OD1 ASP D 205 20.949 36.765 38.057 1.00 54.67 O +ATOM 7125 OD2 ASP D 205 22.277 38.306 37.189 1.00 56.02 O +ATOM 7126 N ILE D 206 25.494 38.307 40.516 1.00 51.14 N +ATOM 7127 CA ILE D 206 26.830 38.233 39.930 1.00 52.70 C +ATOM 7128 C ILE D 206 27.798 37.524 40.880 1.00 52.89 C +ATOM 7129 O ILE D 206 27.751 37.481 42.093 1.00 52.77 O +ATOM 7130 CB ILE D 206 27.475 39.456 39.289 1.00 54.01 C +ATOM 7131 CG1 ILE D 206 27.575 40.660 40.196 1.00 53.06 C +ATOM 7132 CG2 ILE D 206 26.705 39.720 37.981 1.00 54.94 C +ATOM 7133 CD1 ILE D 206 26.318 41.479 40.367 1.00 52.59 C +ATOM 7134 N THR D 207 28.701 36.826 40.196 1.00 53.23 N +ATOM 7135 CA THR D 207 29.732 35.966 40.746 1.00 52.07 C +ATOM 7136 C THR D 207 31.094 36.610 40.613 1.00 50.76 C +ATOM 7137 O THR D 207 31.164 37.581 39.884 1.00 49.78 O +ATOM 7138 CB THR D 207 29.828 34.670 39.901 1.00 51.98 C +ATOM 7139 OG1 THR D 207 30.360 34.942 38.586 1.00 52.73 O +ATOM 7140 CG2 THR D 207 28.446 34.055 39.786 1.00 51.11 C +ATOM 7141 N ASN D 208 32.137 36.033 41.183 1.00 51.13 N +ATOM 7142 CA ASN D 208 33.467 36.603 40.985 1.00 50.79 C +ATOM 7143 C ASN D 208 33.969 36.336 39.568 1.00 48.77 C +ATOM 7144 O ASN D 208 34.854 37.042 39.093 1.00 47.86 O +ATOM 7145 CB ASN D 208 34.419 36.092 42.058 1.00 52.97 C +ATOM 7146 CG ASN D 208 33.903 36.206 43.483 1.00 54.20 C +ATOM 7147 OD1 ASN D 208 34.039 37.208 44.189 1.00 54.50 O +ATOM 7148 ND2 ASN D 208 33.291 35.117 43.964 1.00 54.66 N +ATOM 7149 N SER D 209 33.440 35.361 38.838 1.00 46.75 N +ATOM 7150 CA SER D 209 33.865 35.014 37.498 1.00 44.71 C +ATOM 7151 C SER D 209 33.139 35.851 36.443 1.00 45.24 C +ATOM 7152 O SER D 209 33.801 36.029 35.404 1.00 44.84 O +ATOM 7153 CB SER D 209 33.723 33.529 37.213 1.00 43.05 C +ATOM 7154 OG SER D 209 32.478 33.061 36.798 1.00 39.40 O +ATOM 7155 N MET D 210 31.909 36.325 36.730 1.00 42.42 N +ATOM 7156 CA MET D 210 31.407 37.256 35.708 1.00 43.82 C +ATOM 7157 C MET D 210 32.309 38.486 35.809 1.00 44.54 C +ATOM 7158 O MET D 210 32.762 38.960 34.768 1.00 44.83 O +ATOM 7159 CB MET D 210 29.929 37.600 35.811 1.00 41.89 C +ATOM 7160 CG MET D 210 29.195 36.268 35.827 1.00 41.06 C +ATOM 7161 SD MET D 210 27.484 36.507 36.285 1.00 38.48 S +ATOM 7162 CE MET D 210 27.150 37.582 34.901 1.00 41.08 C +ATOM 7163 N ARG D 211 32.681 38.884 37.028 1.00 44.96 N +ATOM 7164 CA ARG D 211 33.582 40.004 37.241 1.00 46.70 C +ATOM 7165 C ARG D 211 34.939 39.845 36.593 1.00 47.72 C +ATOM 7166 O ARG D 211 35.615 40.804 36.273 1.00 47.97 O +ATOM 7167 CB ARG D 211 33.753 40.145 38.765 1.00 46.69 C +ATOM 7168 CG ARG D 211 34.699 41.272 39.144 1.00 48.03 C +ATOM 7169 CD ARG D 211 35.122 41.100 40.603 1.00 47.93 C +ATOM 7170 NE ARG D 211 35.990 42.167 41.086 1.00 47.65 N +ATOM 7171 CZ ARG D 211 37.270 42.321 40.840 1.00 48.85 C +ATOM 7172 NH1 ARG D 211 37.938 41.469 40.071 1.00 48.91 N +ATOM 7173 NH2 ARG D 211 37.928 43.362 41.350 1.00 49.70 N +ATOM 7174 N ALA D 212 35.391 38.601 36.510 1.00 49.24 N +ATOM 7175 CA ALA D 212 36.643 38.143 35.944 1.00 49.78 C +ATOM 7176 C ALA D 212 36.725 38.523 34.461 1.00 48.98 C +ATOM 7177 O ALA D 212 37.644 39.160 33.951 1.00 47.43 O +ATOM 7178 CB ALA D 212 36.748 36.614 36.020 1.00 50.18 C +ATOM 7179 N ILE D 213 35.632 38.123 33.826 1.00 47.87 N +ATOM 7180 CA ILE D 213 35.447 38.436 32.416 1.00 49.73 C +ATOM 7181 C ILE D 213 35.274 39.947 32.249 1.00 52.09 C +ATOM 7182 O ILE D 213 35.843 40.495 31.303 1.00 53.51 O +ATOM 7183 CB ILE D 213 34.135 37.803 31.918 1.00 48.17 C +ATOM 7184 CG1 ILE D 213 34.307 36.300 31.797 1.00 44.72 C +ATOM 7185 CG2 ILE D 213 33.670 38.404 30.605 1.00 48.36 C +ATOM 7186 CD1 ILE D 213 33.072 35.599 32.317 1.00 44.09 C +ATOM 7187 N LEU D 214 34.445 40.539 33.144 1.00 51.95 N +ATOM 7188 CA LEU D 214 34.284 41.980 33.068 1.00 49.93 C +ATOM 7189 C LEU D 214 35.653 42.616 33.246 1.00 48.57 C +ATOM 7190 O LEU D 214 35.895 43.483 32.393 1.00 49.70 O +ATOM 7191 CB LEU D 214 33.254 42.676 33.945 1.00 49.15 C +ATOM 7192 CG LEU D 214 33.511 44.181 34.187 1.00 49.22 C +ATOM 7193 CD1 LEU D 214 33.479 45.069 32.960 1.00 49.16 C +ATOM 7194 CD2 LEU D 214 32.526 44.690 35.221 1.00 49.89 C +ATOM 7195 N VAL D 215 36.512 42.249 34.172 1.00 48.88 N +ATOM 7196 CA VAL D 215 37.827 42.934 34.240 1.00 50.91 C +ATOM 7197 C VAL D 215 38.727 42.622 33.057 1.00 52.74 C +ATOM 7198 O VAL D 215 39.515 43.430 32.580 1.00 52.25 O +ATOM 7199 CB VAL D 215 38.531 42.585 35.557 1.00 50.18 C +ATOM 7200 CG1 VAL D 215 39.876 43.272 35.755 1.00 50.77 C +ATOM 7201 CG2 VAL D 215 37.580 42.933 36.689 1.00 48.82 C +ATOM 7202 N ASP D 216 38.607 41.431 32.492 1.00 54.88 N +ATOM 7203 CA ASP D 216 39.336 40.989 31.311 1.00 56.54 C +ATOM 7204 C ASP D 216 38.993 41.869 30.120 1.00 55.39 C +ATOM 7205 O ASP D 216 39.832 42.421 29.421 1.00 55.57 O +ATOM 7206 CB ASP D 216 38.818 39.568 31.069 1.00 59.75 C +ATOM 7207 CG ASP D 216 39.673 38.769 30.125 1.00 61.33 C +ATOM 7208 OD1 ASP D 216 39.447 38.812 28.897 1.00 63.16 O +ATOM 7209 OD2 ASP D 216 40.585 38.112 30.653 1.00 61.75 O +ATOM 7210 N TRP D 217 37.668 42.018 29.986 1.00 54.03 N +ATOM 7211 CA TRP D 217 37.156 42.876 28.915 1.00 53.06 C +ATOM 7212 C TRP D 217 37.713 44.270 29.116 1.00 52.07 C +ATOM 7213 O TRP D 217 38.381 44.696 28.182 1.00 50.42 O +ATOM 7214 CB TRP D 217 35.644 42.809 28.786 1.00 53.47 C +ATOM 7215 CG TRP D 217 35.220 43.768 27.710 1.00 54.34 C +ATOM 7216 CD1 TRP D 217 35.366 43.592 26.377 1.00 54.29 C +ATOM 7217 CD2 TRP D 217 34.627 45.062 27.893 1.00 54.77 C +ATOM 7218 NE1 TRP D 217 34.881 44.692 25.717 1.00 54.71 N +ATOM 7219 CE2 TRP D 217 34.417 45.605 26.610 1.00 54.50 C +ATOM 7220 CE3 TRP D 217 34.249 45.819 29.014 1.00 53.67 C +ATOM 7221 CZ2 TRP D 217 33.845 46.862 26.417 1.00 53.90 C +ATOM 7222 CZ3 TRP D 217 33.694 47.059 28.816 1.00 52.34 C +ATOM 7223 CH2 TRP D 217 33.496 47.564 27.533 1.00 52.97 C +ATOM 7224 N LEU D 218 37.647 44.921 30.291 1.00 51.92 N +ATOM 7225 CA LEU D 218 38.357 46.196 30.404 1.00 52.03 C +ATOM 7226 C LEU D 218 39.847 46.095 30.097 1.00 50.76 C +ATOM 7227 O LEU D 218 40.374 47.109 29.638 1.00 48.70 O +ATOM 7228 CB LEU D 218 38.237 46.790 31.803 1.00 52.92 C +ATOM 7229 CG LEU D 218 36.825 47.292 32.114 1.00 54.14 C +ATOM 7230 CD1 LEU D 218 36.652 47.544 33.602 1.00 54.36 C +ATOM 7231 CD2 LEU D 218 36.504 48.539 31.309 1.00 54.31 C +ATOM 7232 N VAL D 219 40.511 44.955 30.380 1.00 51.98 N +ATOM 7233 CA VAL D 219 41.919 44.909 29.975 1.00 52.78 C +ATOM 7234 C VAL D 219 41.911 44.881 28.438 1.00 52.37 C +ATOM 7235 O VAL D 219 42.644 45.692 27.860 1.00 50.23 O +ATOM 7236 CB VAL D 219 42.854 43.835 30.506 1.00 53.60 C +ATOM 7237 CG1 VAL D 219 44.148 44.571 30.884 1.00 55.35 C +ATOM 7238 CG2 VAL D 219 42.375 43.028 31.687 1.00 53.59 C +ATOM 7239 N GLU D 220 41.027 44.103 27.792 1.00 52.50 N +ATOM 7240 CA GLU D 220 41.022 44.229 26.323 1.00 54.81 C +ATOM 7241 C GLU D 220 40.825 45.696 25.930 1.00 54.78 C +ATOM 7242 O GLU D 220 41.721 46.137 25.216 1.00 54.95 O +ATOM 7243 CB GLU D 220 40.073 43.351 25.527 1.00 57.09 C +ATOM 7244 CG GLU D 220 40.600 42.064 24.937 1.00 60.21 C +ATOM 7245 CD GLU D 220 39.518 41.001 24.742 1.00 62.39 C +ATOM 7246 OE1 GLU D 220 39.787 39.997 24.010 1.00 63.63 O +ATOM 7247 OE2 GLU D 220 38.406 41.176 25.322 1.00 63.18 O +ATOM 7248 N VAL D 221 39.817 46.438 26.385 1.00 54.19 N +ATOM 7249 CA VAL D 221 39.552 47.812 26.041 1.00 53.60 C +ATOM 7250 C VAL D 221 40.707 48.779 26.276 1.00 52.98 C +ATOM 7251 O VAL D 221 40.879 49.708 25.467 1.00 51.81 O +ATOM 7252 CB VAL D 221 38.312 48.474 26.717 1.00 53.88 C +ATOM 7253 CG1 VAL D 221 38.069 49.907 26.231 1.00 52.53 C +ATOM 7254 CG2 VAL D 221 37.022 47.716 26.482 1.00 54.20 C +ATOM 7255 N GLY D 222 41.455 48.655 27.363 1.00 53.14 N +ATOM 7256 CA GLY D 222 42.541 49.587 27.661 1.00 53.87 C +ATOM 7257 C GLY D 222 43.619 49.721 26.595 1.00 54.40 C +ATOM 7258 O GLY D 222 44.165 50.804 26.318 1.00 52.57 O +ATOM 7259 N GLU D 223 43.965 48.573 26.009 1.00 55.51 N +ATOM 7260 CA GLU D 223 44.967 48.494 24.962 1.00 58.05 C +ATOM 7261 C GLU D 223 44.463 49.085 23.646 1.00 57.75 C +ATOM 7262 O GLU D 223 45.157 49.761 22.918 1.00 57.25 O +ATOM 7263 CB GLU D 223 45.142 47.029 24.510 1.00 60.13 C +ATOM 7264 CG GLU D 223 45.398 46.116 25.696 1.00 62.63 C +ATOM 7265 CD GLU D 223 46.804 46.496 26.132 1.00 64.03 C +ATOM 7266 OE1 GLU D 223 47.672 45.767 25.626 1.00 65.97 O +ATOM 7267 OE2 GLU D 223 47.032 47.479 26.858 1.00 64.85 O +ATOM 7268 N GLU D 224 43.214 48.644 23.424 1.00 56.71 N +ATOM 7269 CA GLU D 224 42.553 49.091 22.219 1.00 56.61 C +ATOM 7270 C GLU D 224 42.587 50.605 22.153 1.00 55.58 C +ATOM 7271 O GLU D 224 42.942 51.059 21.068 1.00 54.25 O +ATOM 7272 CB GLU D 224 41.165 48.474 22.151 1.00 58.06 C +ATOM 7273 CG GLU D 224 40.399 48.891 20.920 1.00 60.25 C +ATOM 7274 CD GLU D 224 40.845 48.248 19.628 1.00 62.02 C +ATOM 7275 OE1 GLU D 224 41.645 47.274 19.629 1.00 62.02 O +ATOM 7276 OE2 GLU D 224 40.332 48.778 18.601 1.00 63.01 O +ATOM 7277 N TYR D 225 42.313 51.361 23.209 1.00 55.44 N +ATOM 7278 CA TYR D 225 42.321 52.821 23.168 1.00 55.74 C +ATOM 7279 C TYR D 225 43.604 53.496 23.611 1.00 55.76 C +ATOM 7280 O TYR D 225 43.834 54.708 23.584 1.00 54.75 O +ATOM 7281 CB TYR D 225 41.099 53.306 23.971 1.00 55.81 C +ATOM 7282 CG TYR D 225 39.864 52.949 23.162 1.00 56.58 C +ATOM 7283 CD1 TYR D 225 39.098 51.826 23.401 1.00 57.73 C +ATOM 7284 CD2 TYR D 225 39.525 53.749 22.080 1.00 56.97 C +ATOM 7285 CE1 TYR D 225 38.001 51.520 22.625 1.00 58.05 C +ATOM 7286 CE2 TYR D 225 38.432 53.454 21.292 1.00 58.06 C +ATOM 7287 CZ TYR D 225 37.664 52.336 21.562 1.00 58.06 C +ATOM 7288 OH TYR D 225 36.558 52.042 20.774 1.00 57.26 O +ATOM 7289 N LYS D 226 44.514 52.621 24.018 1.00 57.15 N +ATOM 7290 CA LYS D 226 45.847 52.968 24.494 1.00 58.49 C +ATOM 7291 C LYS D 226 45.788 53.777 25.777 1.00 56.89 C +ATOM 7292 O LYS D 226 46.360 54.861 25.917 1.00 56.24 O +ATOM 7293 CB LYS D 226 46.637 53.518 23.285 1.00 59.50 C +ATOM 7294 CG LYS D 226 47.376 52.325 22.694 1.00 61.57 C +ATOM 7295 CD LYS D 226 47.776 52.213 21.263 1.00 62.38 C +ATOM 7296 CE LYS D 226 46.669 52.214 20.240 1.00 63.35 C +ATOM 7297 NZ LYS D 226 45.522 51.303 20.448 1.00 63.87 N +ATOM 7298 N LEU D 227 45.086 53.206 26.771 1.00 55.38 N +ATOM 7299 CA LEU D 227 44.938 53.901 28.054 1.00 55.15 C +ATOM 7300 C LEU D 227 45.958 53.452 29.096 1.00 55.85 C +ATOM 7301 O LEU D 227 46.565 52.367 29.066 1.00 57.58 O +ATOM 7302 CB LEU D 227 43.513 53.770 28.591 1.00 52.06 C +ATOM 7303 CG LEU D 227 42.413 53.966 27.539 1.00 50.56 C +ATOM 7304 CD1 LEU D 227 41.116 53.335 28.016 1.00 48.17 C +ATOM 7305 CD2 LEU D 227 42.307 55.438 27.149 1.00 49.81 C +ATOM 7306 N GLN D 228 46.167 54.362 30.044 1.00 56.36 N +ATOM 7307 CA GLN D 228 47.134 54.106 31.107 1.00 56.68 C +ATOM 7308 C GLN D 228 46.632 52.919 31.902 1.00 56.50 C +ATOM 7309 O GLN D 228 45.425 52.859 32.106 1.00 57.49 O +ATOM 7310 CB GLN D 228 47.237 55.296 32.046 1.00 56.61 C +ATOM 7311 CG GLN D 228 47.345 56.618 31.270 1.00 57.33 C +ATOM 7312 CD GLN D 228 48.764 56.614 30.720 1.00 59.53 C +ATOM 7313 OE1 GLN D 228 49.644 56.321 31.542 1.00 61.35 O +ATOM 7314 NE2 GLN D 228 49.018 56.873 29.459 1.00 58.76 N +ATOM 7315 N ASN D 229 47.530 52.127 32.465 1.00 55.92 N +ATOM 7316 CA ASN D 229 47.107 51.034 33.330 1.00 54.73 C +ATOM 7317 C ASN D 229 46.445 51.607 34.571 1.00 53.13 C +ATOM 7318 O ASN D 229 45.650 50.912 35.189 1.00 52.29 O +ATOM 7319 CB ASN D 229 48.301 50.155 33.702 1.00 55.24 C +ATOM 7320 CG ASN D 229 48.776 49.408 32.466 1.00 55.56 C +ATOM 7321 OD1 ASN D 229 48.028 49.201 31.523 1.00 56.00 O +ATOM 7322 ND2 ASN D 229 50.041 49.036 32.470 1.00 56.07 N +ATOM 7323 N GLU D 230 46.756 52.847 34.937 1.00 51.98 N +ATOM 7324 CA GLU D 230 46.153 53.552 36.056 1.00 50.99 C +ATOM 7325 C GLU D 230 44.634 53.354 35.906 1.00 49.62 C +ATOM 7326 O GLU D 230 43.932 52.705 36.635 1.00 46.81 O +ATOM 7327 CB GLU D 230 46.365 55.050 36.018 1.00 50.56 C +ATOM 7328 CG GLU D 230 46.614 55.922 37.181 1.00 50.52 C +ATOM 7329 CD GLU D 230 46.413 55.679 38.627 1.00 50.48 C +ATOM 7330 OE1 GLU D 230 46.911 54.674 39.194 1.00 51.51 O +ATOM 7331 OE2 GLU D 230 45.751 56.505 39.310 1.00 49.41 O +ATOM 7332 N THR D 231 44.175 53.916 34.802 1.00 50.87 N +ATOM 7333 CA THR D 231 42.820 53.966 34.295 1.00 50.11 C +ATOM 7334 C THR D 231 42.130 52.661 34.543 1.00 49.31 C +ATOM 7335 O THR D 231 41.108 52.538 35.205 1.00 50.80 O +ATOM 7336 CB THR D 231 42.885 54.399 32.818 1.00 51.01 C +ATOM 7337 OG1 THR D 231 43.491 55.719 32.771 1.00 52.02 O +ATOM 7338 CG2 THR D 231 41.498 54.365 32.210 1.00 51.19 C +ATOM 7339 N LEU D 232 42.730 51.594 34.083 1.00 49.51 N +ATOM 7340 CA LEU D 232 42.279 50.238 34.319 1.00 49.48 C +ATOM 7341 C LEU D 232 42.098 49.969 35.808 1.00 49.72 C +ATOM 7342 O LEU D 232 41.099 49.387 36.217 1.00 50.92 O +ATOM 7343 CB LEU D 232 43.405 49.386 33.765 1.00 50.40 C +ATOM 7344 CG LEU D 232 43.129 47.954 33.331 1.00 51.83 C +ATOM 7345 CD1 LEU D 232 44.247 47.040 33.836 1.00 51.74 C +ATOM 7346 CD2 LEU D 232 41.756 47.452 33.740 1.00 50.99 C +ATOM 7347 N HIS D 233 43.053 50.337 36.630 1.00 48.54 N +ATOM 7348 CA HIS D 233 43.059 50.203 38.073 1.00 48.94 C +ATOM 7349 C HIS D 233 41.882 50.968 38.680 1.00 49.04 C +ATOM 7350 O HIS D 233 40.941 50.364 39.266 1.00 49.08 O +ATOM 7351 CB HIS D 233 44.481 50.604 38.528 1.00 51.26 C +ATOM 7352 CG HIS D 233 45.463 49.469 38.497 1.00 52.35 C +ATOM 7353 ND1 HIS D 233 45.888 48.797 37.380 1.00 53.45 N +ATOM 7354 CD2 HIS D 233 46.088 48.864 39.541 1.00 52.70 C +ATOM 7355 CE1 HIS D 233 46.721 47.824 37.728 1.00 52.99 C +ATOM 7356 NE2 HIS D 233 46.844 47.839 39.029 1.00 52.31 N +ATOM 7357 N LEU D 234 41.799 52.285 38.471 1.00 45.95 N +ATOM 7358 CA LEU D 234 40.698 53.138 38.859 1.00 44.28 C +ATOM 7359 C LEU D 234 39.327 52.660 38.413 1.00 44.57 C +ATOM 7360 O LEU D 234 38.356 52.703 39.149 1.00 45.18 O +ATOM 7361 CB LEU D 234 40.867 54.523 38.222 1.00 41.41 C +ATOM 7362 CG LEU D 234 41.998 55.365 38.842 1.00 38.88 C +ATOM 7363 CD1 LEU D 234 42.268 56.529 37.921 1.00 36.76 C +ATOM 7364 CD2 LEU D 234 41.682 55.754 40.275 1.00 36.07 C +ATOM 7365 N ALA D 235 39.242 52.145 37.196 1.00 45.44 N +ATOM 7366 CA ALA D 235 37.960 51.641 36.722 1.00 45.72 C +ATOM 7367 C ALA D 235 37.479 50.527 37.620 1.00 45.77 C +ATOM 7368 O ALA D 235 36.312 50.554 38.031 1.00 45.78 O +ATOM 7369 CB ALA D 235 38.018 51.333 35.241 1.00 45.00 C +ATOM 7370 N VAL D 236 38.310 49.562 37.984 1.00 46.32 N +ATOM 7371 CA VAL D 236 37.982 48.413 38.826 1.00 44.87 C +ATOM 7372 C VAL D 236 37.592 48.806 40.238 1.00 43.59 C +ATOM 7373 O VAL D 236 36.613 48.312 40.790 1.00 42.41 O +ATOM 7374 CB VAL D 236 39.139 47.390 38.799 1.00 46.30 C +ATOM 7375 CG1 VAL D 236 38.906 46.173 39.682 1.00 46.74 C +ATOM 7376 CG2 VAL D 236 39.420 46.893 37.386 1.00 46.24 C +ATOM 7377 N ASN D 237 38.304 49.726 40.875 1.00 44.02 N +ATOM 7378 CA ASN D 237 37.979 50.330 42.153 1.00 42.81 C +ATOM 7379 C ASN D 237 36.531 50.836 42.026 1.00 43.43 C +ATOM 7380 O ASN D 237 35.577 50.356 42.654 1.00 43.80 O +ATOM 7381 CB ASN D 237 38.870 51.539 42.408 1.00 43.02 C +ATOM 7382 CG ASN D 237 38.709 52.142 43.795 1.00 44.26 C +ATOM 7383 OD1 ASN D 237 38.467 53.341 43.979 1.00 41.88 O +ATOM 7384 ND2 ASN D 237 38.857 51.293 44.830 1.00 45.60 N +ATOM 7385 N TYR D 238 36.344 51.728 41.042 1.00 41.08 N +ATOM 7386 CA TYR D 238 35.013 52.277 40.808 1.00 40.18 C +ATOM 7387 C TYR D 238 34.080 51.082 40.757 1.00 41.79 C +ATOM 7388 O TYR D 238 33.146 50.985 41.569 1.00 41.44 O +ATOM 7389 CB TYR D 238 34.961 53.250 39.641 1.00 38.18 C +ATOM 7390 CG TYR D 238 35.964 54.386 39.633 1.00 36.58 C +ATOM 7391 CD1 TYR D 238 36.704 54.754 40.752 1.00 36.08 C +ATOM 7392 CD2 TYR D 238 36.191 55.107 38.472 1.00 36.86 C +ATOM 7393 CE1 TYR D 238 37.612 55.787 40.722 1.00 37.18 C +ATOM 7394 CE2 TYR D 238 37.088 56.156 38.395 1.00 37.37 C +ATOM 7395 CZ TYR D 238 37.791 56.482 39.540 1.00 38.84 C +ATOM 7396 OH TYR D 238 38.685 57.529 39.468 1.00 40.49 O +ATOM 7397 N ILE D 239 34.365 50.111 39.880 1.00 42.87 N +ATOM 7398 CA ILE D 239 33.490 48.946 39.808 1.00 42.14 C +ATOM 7399 C ILE D 239 33.277 48.294 41.159 1.00 43.21 C +ATOM 7400 O ILE D 239 32.109 48.095 41.551 1.00 44.44 O +ATOM 7401 CB ILE D 239 33.938 47.898 38.788 1.00 41.50 C +ATOM 7402 CG1 ILE D 239 34.401 48.550 37.488 1.00 42.38 C +ATOM 7403 CG2 ILE D 239 32.758 46.979 38.540 1.00 40.54 C +ATOM 7404 CD1 ILE D 239 34.335 47.695 36.249 1.00 42.46 C +ATOM 7405 N ASP D 240 34.328 47.907 41.887 1.00 43.54 N +ATOM 7406 CA ASP D 240 34.104 47.245 43.181 1.00 41.63 C +ATOM 7407 C ASP D 240 33.465 48.232 44.149 1.00 39.47 C +ATOM 7408 O ASP D 240 32.517 47.731 44.776 1.00 38.61 O +ATOM 7409 CB ASP D 240 35.344 46.568 43.758 1.00 42.46 C +ATOM 7410 CG ASP D 240 35.799 45.470 42.791 1.00 43.55 C +ATOM 7411 OD1 ASP D 240 34.932 44.735 42.254 1.00 41.70 O +ATOM 7412 OD2 ASP D 240 37.029 45.410 42.587 1.00 42.95 O +ATOM 7413 N ARG D 241 33.838 49.509 44.209 1.00 35.13 N +ATOM 7414 CA ARG D 241 33.069 50.359 45.095 1.00 37.86 C +ATOM 7415 C ARG D 241 31.576 50.364 44.776 1.00 39.30 C +ATOM 7416 O ARG D 241 30.821 50.244 45.741 1.00 40.64 O +ATOM 7417 CB ARG D 241 33.508 51.839 45.162 1.00 37.76 C +ATOM 7418 CG ARG D 241 34.579 51.824 46.270 1.00 36.70 C +ATOM 7419 CD ARG D 241 35.734 52.703 45.857 1.00 36.38 C +ATOM 7420 NE ARG D 241 35.280 54.051 45.979 1.00 36.05 N +ATOM 7421 CZ ARG D 241 35.646 55.142 45.361 1.00 36.44 C +ATOM 7422 NH1 ARG D 241 36.612 55.117 44.475 1.00 37.40 N +ATOM 7423 NH2 ARG D 241 34.932 56.183 45.760 1.00 34.81 N +ATOM 7424 N PHE D 242 31.198 50.481 43.504 1.00 38.87 N +ATOM 7425 CA PHE D 242 29.819 50.445 43.085 1.00 37.05 C +ATOM 7426 C PHE D 242 29.139 49.133 43.349 1.00 37.55 C +ATOM 7427 O PHE D 242 27.925 49.181 43.635 1.00 38.65 O +ATOM 7428 CB PHE D 242 29.704 50.926 41.632 1.00 35.06 C +ATOM 7429 CG PHE D 242 28.330 51.109 41.068 1.00 32.61 C +ATOM 7430 CD1 PHE D 242 27.715 52.351 40.914 1.00 31.71 C +ATOM 7431 CD2 PHE D 242 27.629 49.996 40.659 1.00 31.44 C +ATOM 7432 CE1 PHE D 242 26.451 52.439 40.378 1.00 29.19 C +ATOM 7433 CE2 PHE D 242 26.350 50.074 40.115 1.00 30.16 C +ATOM 7434 CZ PHE D 242 25.762 51.312 39.974 1.00 28.79 C +ATOM 7435 N LEU D 243 29.740 47.948 43.318 1.00 39.76 N +ATOM 7436 CA LEU D 243 28.960 46.707 43.596 1.00 38.68 C +ATOM 7437 C LEU D 243 28.982 46.343 45.071 1.00 38.95 C +ATOM 7438 O LEU D 243 28.197 45.549 45.598 1.00 38.83 O +ATOM 7439 CB LEU D 243 29.388 45.589 42.682 1.00 37.20 C +ATOM 7440 CG LEU D 243 29.383 45.907 41.186 1.00 35.77 C +ATOM 7441 CD1 LEU D 243 30.488 45.036 40.597 1.00 35.20 C +ATOM 7442 CD2 LEU D 243 28.033 45.687 40.492 1.00 32.49 C +ATOM 7443 N SER D 244 29.704 47.182 45.833 1.00 40.38 N +ATOM 7444 CA SER D 244 29.659 47.148 47.276 1.00 42.09 C +ATOM 7445 C SER D 244 28.264 47.580 47.738 1.00 43.49 C +ATOM 7446 O SER D 244 27.792 47.143 48.812 1.00 42.02 O +ATOM 7447 CB SER D 244 30.763 47.982 47.911 1.00 41.62 C +ATOM 7448 OG SER D 244 31.972 47.204 47.909 1.00 41.53 O +ATOM 7449 N SER D 245 27.530 48.399 46.958 1.00 44.28 N +ATOM 7450 CA SER D 245 26.221 48.825 47.476 1.00 44.24 C +ATOM 7451 C SER D 245 25.088 48.781 46.486 1.00 42.27 C +ATOM 7452 O SER D 245 23.938 48.971 46.873 1.00 41.09 O +ATOM 7453 CB SER D 245 26.313 50.277 47.996 1.00 45.13 C +ATOM 7454 OG SER D 245 26.143 51.071 46.834 1.00 46.84 O +ATOM 7455 N MET D 246 25.431 48.541 45.228 1.00 42.11 N +ATOM 7456 CA MET D 246 24.357 48.460 44.235 1.00 42.12 C +ATOM 7457 C MET D 246 24.268 47.031 43.695 1.00 42.96 C +ATOM 7458 O MET D 246 25.225 46.470 43.156 1.00 44.09 O +ATOM 7459 CB MET D 246 24.471 49.456 43.085 1.00 37.73 C +ATOM 7460 CG MET D 246 24.622 50.897 43.488 1.00 37.30 C +ATOM 7461 SD MET D 246 23.166 51.653 44.226 1.00 35.12 S +ATOM 7462 CE MET D 246 22.161 52.086 42.816 1.00 35.41 C +ATOM 7463 N SER D 247 23.064 46.500 43.787 1.00 43.90 N +ATOM 7464 CA SER D 247 22.782 45.185 43.215 1.00 46.48 C +ATOM 7465 C SER D 247 22.897 45.322 41.712 1.00 47.66 C +ATOM 7466 O SER D 247 22.672 46.451 41.244 1.00 49.16 O +ATOM 7467 CB SER D 247 21.393 44.810 43.715 1.00 46.17 C +ATOM 7468 OG SER D 247 21.444 43.573 44.370 1.00 47.16 O +ATOM 7469 N VAL D 248 23.287 44.357 40.896 1.00 47.83 N +ATOM 7470 CA VAL D 248 23.369 44.618 39.454 1.00 47.42 C +ATOM 7471 C VAL D 248 22.924 43.362 38.742 1.00 46.67 C +ATOM 7472 O VAL D 248 23.456 42.375 39.244 1.00 47.29 O +ATOM 7473 CB VAL D 248 24.786 44.944 38.983 1.00 47.52 C +ATOM 7474 CG1 VAL D 248 25.037 44.610 37.522 1.00 47.05 C +ATOM 7475 CG2 VAL D 248 25.027 46.443 39.155 1.00 48.64 C +ATOM 7476 N LEU D 249 22.062 43.402 37.743 1.00 46.19 N +ATOM 7477 CA LEU D 249 21.799 42.109 37.084 1.00 45.79 C +ATOM 7478 C LEU D 249 22.979 41.856 36.133 1.00 46.45 C +ATOM 7479 O LEU D 249 23.841 42.667 35.759 1.00 45.24 O +ATOM 7480 CB LEU D 249 20.430 42.086 36.471 1.00 44.71 C +ATOM 7481 CG LEU D 249 19.215 42.066 37.397 1.00 45.03 C +ATOM 7482 CD1 LEU D 249 17.904 42.297 36.657 1.00 43.09 C +ATOM 7483 CD2 LEU D 249 19.105 40.765 38.189 1.00 45.68 C +ATOM 7484 N ARG D 250 23.086 40.588 35.768 1.00 48.22 N +ATOM 7485 CA ARG D 250 24.176 40.143 34.875 1.00 49.85 C +ATOM 7486 C ARG D 250 24.079 40.834 33.534 1.00 48.32 C +ATOM 7487 O ARG D 250 25.138 41.357 33.123 1.00 49.75 O +ATOM 7488 CB ARG D 250 24.190 38.647 34.915 1.00 51.12 C +ATOM 7489 CG ARG D 250 23.833 37.845 33.689 1.00 53.70 C +ATOM 7490 CD ARG D 250 24.263 36.405 33.981 1.00 56.76 C +ATOM 7491 NE ARG D 250 23.571 36.068 35.209 1.00 60.22 N +ATOM 7492 CZ ARG D 250 23.419 34.870 35.741 1.00 62.05 C +ATOM 7493 NH1 ARG D 250 23.935 33.811 35.123 1.00 63.46 N +ATOM 7494 NH2 ARG D 250 22.745 34.754 36.885 1.00 63.60 N +ATOM 7495 N GLY D 251 22.938 41.052 32.895 1.00 46.28 N +ATOM 7496 CA GLY D 251 22.987 41.892 31.681 1.00 44.63 C +ATOM 7497 C GLY D 251 23.537 43.277 32.000 1.00 43.73 C +ATOM 7498 O GLY D 251 24.079 43.842 31.045 1.00 45.18 O +ATOM 7499 N LYS D 252 23.495 43.883 33.188 1.00 41.46 N +ATOM 7500 CA LYS D 252 23.970 45.239 33.356 1.00 40.37 C +ATOM 7501 C LYS D 252 25.396 45.417 33.804 1.00 41.48 C +ATOM 7502 O LYS D 252 25.944 46.528 33.848 1.00 40.87 O +ATOM 7503 CB LYS D 252 22.950 46.013 34.225 1.00 36.93 C +ATOM 7504 CG LYS D 252 21.580 46.114 33.522 1.00 33.64 C +ATOM 7505 CD LYS D 252 21.669 46.786 32.158 1.00 31.03 C +ATOM 7506 CE LYS D 252 20.443 47.582 31.796 1.00 29.67 C +ATOM 7507 NZ LYS D 252 19.225 46.694 31.747 1.00 29.30 N +ATOM 7508 N LEU D 253 26.087 44.323 34.097 1.00 43.03 N +ATOM 7509 CA LEU D 253 27.466 44.368 34.596 1.00 43.48 C +ATOM 7510 C LEU D 253 28.365 45.164 33.687 1.00 42.57 C +ATOM 7511 O LEU D 253 29.170 46.038 34.000 1.00 42.60 O +ATOM 7512 CB LEU D 253 27.963 42.932 34.766 1.00 44.44 C +ATOM 7513 CG LEU D 253 29.262 42.640 35.496 1.00 44.35 C +ATOM 7514 CD1 LEU D 253 29.657 43.800 36.401 1.00 44.80 C +ATOM 7515 CD2 LEU D 253 29.112 41.368 36.337 1.00 45.54 C +ATOM 7516 N GLN D 254 28.258 44.797 32.409 1.00 42.95 N +ATOM 7517 CA GLN D 254 29.064 45.530 31.429 1.00 41.67 C +ATOM 7518 C GLN D 254 28.695 46.990 31.442 1.00 40.43 C +ATOM 7519 O GLN D 254 29.627 47.788 31.354 1.00 41.59 O +ATOM 7520 CB GLN D 254 28.859 44.783 30.160 1.00 42.52 C +ATOM 7521 CG GLN D 254 29.414 45.508 28.949 1.00 44.11 C +ATOM 7522 CD GLN D 254 29.468 44.491 27.797 1.00 44.43 C +ATOM 7523 OE1 GLN D 254 30.452 44.732 27.097 1.00 45.20 O +ATOM 7524 NE2 GLN D 254 28.527 43.552 27.714 1.00 41.76 N +ATOM 7525 N LEU D 255 27.454 47.438 31.549 1.00 38.67 N +ATOM 7526 CA LEU D 255 27.172 48.868 31.575 1.00 37.69 C +ATOM 7527 C LEU D 255 27.891 49.524 32.746 1.00 37.63 C +ATOM 7528 O LEU D 255 28.410 50.634 32.495 1.00 40.59 O +ATOM 7529 CB LEU D 255 25.686 49.120 31.567 1.00 38.66 C +ATOM 7530 CG LEU D 255 25.044 50.503 31.547 1.00 38.93 C +ATOM 7531 CD1 LEU D 255 25.579 51.428 30.472 1.00 39.46 C +ATOM 7532 CD2 LEU D 255 23.543 50.329 31.359 1.00 37.01 C +ATOM 7533 N VAL D 256 28.051 48.945 33.916 1.00 33.80 N +ATOM 7534 CA VAL D 256 28.739 49.516 35.046 1.00 32.99 C +ATOM 7535 C VAL D 256 30.214 49.724 34.723 1.00 34.80 C +ATOM 7536 O VAL D 256 30.770 50.836 34.817 1.00 34.86 O +ATOM 7537 CB VAL D 256 28.558 48.672 36.334 1.00 31.07 C +ATOM 7538 CG1 VAL D 256 29.562 49.110 37.404 1.00 29.40 C +ATOM 7539 CG2 VAL D 256 27.145 48.791 36.910 1.00 27.49 C +ATOM 7540 N GLY D 257 30.843 48.608 34.303 1.00 36.18 N +ATOM 7541 CA GLY D 257 32.243 48.617 33.865 1.00 35.47 C +ATOM 7542 C GLY D 257 32.462 49.717 32.828 1.00 36.52 C +ATOM 7543 O GLY D 257 33.382 50.537 32.951 1.00 37.37 O +ATOM 7544 N THR D 258 31.593 49.795 31.819 1.00 36.39 N +ATOM 7545 CA THR D 258 31.776 50.849 30.821 1.00 37.64 C +ATOM 7546 C THR D 258 31.656 52.226 31.430 1.00 38.73 C +ATOM 7547 O THR D 258 32.562 53.056 31.185 1.00 40.69 O +ATOM 7548 CB THR D 258 30.845 50.615 29.614 1.00 37.29 C +ATOM 7549 OG1 THR D 258 31.041 49.298 29.084 1.00 33.23 O +ATOM 7550 CG2 THR D 258 31.136 51.683 28.577 1.00 36.33 C +ATOM 7551 N ALA D 259 30.663 52.513 32.292 1.00 37.71 N +ATOM 7552 CA ALA D 259 30.631 53.861 32.887 1.00 36.44 C +ATOM 7553 C ALA D 259 31.875 54.093 33.735 1.00 35.68 C +ATOM 7554 O ALA D 259 32.483 55.159 33.760 1.00 34.93 O +ATOM 7555 CB ALA D 259 29.405 54.070 33.765 1.00 36.40 C +ATOM 7556 N ALA D 260 32.237 53.062 34.486 1.00 35.10 N +ATOM 7557 CA ALA D 260 33.430 53.113 35.324 1.00 38.35 C +ATOM 7558 C ALA D 260 34.698 53.467 34.542 1.00 40.28 C +ATOM 7559 O ALA D 260 35.510 54.329 34.892 1.00 39.29 O +ATOM 7560 CB ALA D 260 33.599 51.709 35.903 1.00 38.89 C +ATOM 7561 N MET D 261 34.833 52.750 33.412 1.00 41.28 N +ATOM 7562 CA MET D 261 35.962 52.989 32.516 1.00 43.27 C +ATOM 7563 C MET D 261 35.905 54.399 31.947 1.00 44.25 C +ATOM 7564 O MET D 261 36.926 55.110 32.082 1.00 45.64 O +ATOM 7565 CB MET D 261 36.037 51.854 31.511 1.00 44.69 C +ATOM 7566 CG MET D 261 37.387 51.747 30.848 1.00 46.08 C +ATOM 7567 SD MET D 261 38.683 51.019 31.876 1.00 48.82 S +ATOM 7568 CE MET D 261 40.003 51.197 30.651 1.00 49.86 C +ATOM 7569 N LEU D 262 34.760 54.897 31.465 1.00 42.47 N +ATOM 7570 CA LEU D 262 34.667 56.296 31.017 1.00 40.71 C +ATOM 7571 C LEU D 262 35.060 57.300 32.089 1.00 37.23 C +ATOM 7572 O LEU D 262 35.861 58.242 31.954 1.00 36.47 O +ATOM 7573 CB LEU D 262 33.229 56.549 30.560 1.00 41.85 C +ATOM 7574 CG LEU D 262 32.639 57.932 30.327 1.00 41.98 C +ATOM 7575 CD1 LEU D 262 33.215 58.638 29.112 1.00 40.78 C +ATOM 7576 CD2 LEU D 262 31.132 57.783 30.166 1.00 41.75 C +ATOM 7577 N LEU D 263 34.511 57.088 33.278 1.00 35.61 N +ATOM 7578 CA LEU D 263 34.910 58.016 34.376 1.00 34.38 C +ATOM 7579 C LEU D 263 36.397 57.878 34.650 1.00 33.41 C +ATOM 7580 O LEU D 263 37.088 58.861 34.846 1.00 30.29 O +ATOM 7581 CB LEU D 263 34.080 57.770 35.625 1.00 31.01 C +ATOM 7582 CG LEU D 263 32.669 58.368 35.564 1.00 30.26 C +ATOM 7583 CD1 LEU D 263 31.839 57.773 36.703 1.00 29.32 C +ATOM 7584 CD2 LEU D 263 32.631 59.881 35.667 1.00 28.69 C +ATOM 7585 N ALA D 264 36.885 56.626 34.625 1.00 36.00 N +ATOM 7586 CA ALA D 264 38.285 56.358 34.939 1.00 37.58 C +ATOM 7587 C ALA D 264 39.113 57.134 33.934 1.00 38.71 C +ATOM 7588 O ALA D 264 39.986 57.910 34.344 1.00 38.09 O +ATOM 7589 CB ALA D 264 38.604 54.871 34.992 1.00 39.15 C +ATOM 7590 N SER D 265 38.733 56.984 32.649 1.00 39.12 N +ATOM 7591 CA SER D 265 39.449 57.829 31.694 1.00 41.33 C +ATOM 7592 C SER D 265 39.128 59.303 31.946 1.00 42.01 C +ATOM 7593 O SER D 265 40.037 60.124 31.731 1.00 42.02 O +ATOM 7594 CB SER D 265 39.112 57.591 30.231 1.00 40.50 C +ATOM 7595 OG SER D 265 38.861 56.222 30.066 1.00 41.60 O +ATOM 7596 N LYS D 266 37.885 59.681 32.295 1.00 42.41 N +ATOM 7597 CA LYS D 266 37.721 61.149 32.433 1.00 42.65 C +ATOM 7598 C LYS D 266 38.677 61.661 33.488 1.00 42.46 C +ATOM 7599 O LYS D 266 39.252 62.733 33.309 1.00 45.05 O +ATOM 7600 CB LYS D 266 36.304 61.672 32.594 1.00 40.74 C +ATOM 7601 CG LYS D 266 35.379 61.189 31.488 1.00 40.60 C +ATOM 7602 CD LYS D 266 34.605 62.161 30.674 1.00 38.14 C +ATOM 7603 CE LYS D 266 33.241 62.623 31.020 1.00 37.38 C +ATOM 7604 NZ LYS D 266 32.117 61.705 30.760 1.00 38.20 N +ATOM 7605 N PHE D 267 38.898 60.989 34.591 1.00 42.58 N +ATOM 7606 CA PHE D 267 39.801 61.459 35.617 1.00 42.43 C +ATOM 7607 C PHE D 267 41.277 61.405 35.240 1.00 42.32 C +ATOM 7608 O PHE D 267 42.084 62.274 35.526 1.00 39.14 O +ATOM 7609 CB PHE D 267 39.683 60.454 36.805 1.00 42.04 C +ATOM 7610 CG PHE D 267 40.275 61.038 38.055 1.00 41.57 C +ATOM 7611 CD1 PHE D 267 39.583 62.072 38.672 1.00 40.53 C +ATOM 7612 CD2 PHE D 267 41.480 60.601 38.597 1.00 41.05 C +ATOM 7613 CE1 PHE D 267 40.057 62.663 39.818 1.00 39.96 C +ATOM 7614 CE2 PHE D 267 41.964 61.211 39.741 1.00 39.93 C +ATOM 7615 CZ PHE D 267 41.248 62.221 40.340 1.00 39.52 C +ATOM 7616 N GLU D 268 41.664 60.251 34.699 1.00 44.98 N +ATOM 7617 CA GLU D 268 43.067 59.978 34.457 1.00 48.17 C +ATOM 7618 C GLU D 268 43.698 60.376 33.144 1.00 48.90 C +ATOM 7619 O GLU D 268 44.861 60.783 33.242 1.00 47.91 O +ATOM 7620 CB GLU D 268 43.311 58.463 34.718 1.00 50.45 C +ATOM 7621 CG GLU D 268 44.830 58.213 34.842 1.00 52.76 C +ATOM 7622 CD GLU D 268 45.295 58.808 36.158 1.00 52.58 C +ATOM 7623 OE1 GLU D 268 44.589 58.541 37.143 1.00 52.87 O +ATOM 7624 OE2 GLU D 268 46.287 59.537 36.187 1.00 53.57 O +ATOM 7625 N GLU D 269 43.063 60.352 31.983 1.00 48.97 N +ATOM 7626 CA GLU D 269 43.720 60.622 30.724 1.00 49.49 C +ATOM 7627 C GLU D 269 43.974 62.016 30.215 1.00 50.00 C +ATOM 7628 O GLU D 269 43.117 62.849 30.455 1.00 51.48 O +ATOM 7629 CB GLU D 269 42.865 59.872 29.667 1.00 47.72 C +ATOM 7630 CG GLU D 269 42.845 58.399 30.007 1.00 48.21 C +ATOM 7631 CD GLU D 269 44.149 57.678 29.749 1.00 48.30 C +ATOM 7632 OE1 GLU D 269 45.090 58.325 29.229 1.00 49.41 O +ATOM 7633 OE2 GLU D 269 44.250 56.475 30.042 1.00 47.73 O +ATOM 7634 N ILE D 270 45.020 62.285 29.420 1.00 50.72 N +ATOM 7635 CA ILE D 270 45.194 63.613 28.818 1.00 51.00 C +ATOM 7636 C ILE D 270 44.075 63.755 27.790 1.00 51.01 C +ATOM 7637 O ILE D 270 43.372 64.740 27.550 1.00 47.60 O +ATOM 7638 CB ILE D 270 46.567 63.820 28.169 1.00 51.59 C +ATOM 7639 CG1 ILE D 270 47.656 63.186 29.069 1.00 51.65 C +ATOM 7640 CG2 ILE D 270 46.874 65.298 27.954 1.00 51.48 C +ATOM 7641 CD1 ILE D 270 48.849 62.638 28.322 1.00 49.10 C +ATOM 7642 N TYR D 271 43.807 62.660 27.049 1.00 52.15 N +ATOM 7643 CA TYR D 271 42.676 62.715 26.121 1.00 52.29 C +ATOM 7644 C TYR D 271 42.003 61.343 26.028 1.00 50.41 C +ATOM 7645 O TYR D 271 42.468 60.496 25.286 1.00 51.16 O +ATOM 7646 CB TYR D 271 42.899 63.141 24.682 1.00 53.99 C +ATOM 7647 CG TYR D 271 44.140 63.923 24.374 1.00 55.62 C +ATOM 7648 CD1 TYR D 271 44.102 65.299 24.258 1.00 56.95 C +ATOM 7649 CD2 TYR D 271 45.357 63.277 24.259 1.00 56.38 C +ATOM 7650 CE1 TYR D 271 45.241 66.036 23.989 1.00 57.75 C +ATOM 7651 CE2 TYR D 271 46.515 63.987 24.017 1.00 57.39 C +ATOM 7652 CZ TYR D 271 46.442 65.356 23.875 1.00 58.56 C +ATOM 7653 OH TYR D 271 47.594 66.079 23.617 1.00 59.52 O +ATOM 7654 N PRO D 272 40.888 61.201 26.719 1.00 48.76 N +ATOM 7655 CA PRO D 272 40.151 59.952 26.725 1.00 48.09 C +ATOM 7656 C PRO D 272 39.218 59.652 25.560 1.00 48.02 C +ATOM 7657 O PRO D 272 38.737 60.494 24.802 1.00 47.48 O +ATOM 7658 CB PRO D 272 39.307 60.126 27.998 1.00 47.58 C +ATOM 7659 CG PRO D 272 39.083 61.590 28.101 1.00 46.82 C +ATOM 7660 CD PRO D 272 40.370 62.220 27.670 1.00 46.41 C +ATOM 7661 N PRO D 273 38.888 58.373 25.399 1.00 47.31 N +ATOM 7662 CA PRO D 273 37.936 57.908 24.417 1.00 48.87 C +ATOM 7663 C PRO D 273 36.606 58.614 24.664 1.00 50.58 C +ATOM 7664 O PRO D 273 36.214 58.869 25.811 1.00 51.57 O +ATOM 7665 CB PRO D 273 37.856 56.412 24.626 1.00 48.21 C +ATOM 7666 CG PRO D 273 39.119 56.059 25.346 1.00 47.49 C +ATOM 7667 CD PRO D 273 39.347 57.252 26.242 1.00 47.90 C +ATOM 7668 N GLU D 274 35.905 58.961 23.596 1.00 51.75 N +ATOM 7669 CA GLU D 274 34.661 59.677 23.880 1.00 53.25 C +ATOM 7670 C GLU D 274 33.545 58.660 24.041 1.00 51.17 C +ATOM 7671 O GLU D 274 33.731 57.450 23.811 1.00 52.55 O +ATOM 7672 CB GLU D 274 34.483 60.752 22.842 1.00 56.82 C +ATOM 7673 CG GLU D 274 34.205 60.113 21.487 1.00 61.14 C +ATOM 7674 CD GLU D 274 34.620 61.072 20.371 1.00 63.70 C +ATOM 7675 OE1 GLU D 274 35.161 62.172 20.634 1.00 63.78 O +ATOM 7676 OE2 GLU D 274 34.376 60.625 19.211 1.00 65.52 O +ATOM 7677 N VAL D 275 32.410 59.241 24.454 1.00 46.40 N +ATOM 7678 CA VAL D 275 31.269 58.384 24.762 1.00 42.90 C +ATOM 7679 C VAL D 275 30.952 57.503 23.598 1.00 43.28 C +ATOM 7680 O VAL D 275 30.952 56.301 23.828 1.00 44.02 O +ATOM 7681 CB VAL D 275 30.046 59.106 25.344 1.00 40.06 C +ATOM 7682 CG1 VAL D 275 29.134 58.041 25.932 1.00 38.29 C +ATOM 7683 CG2 VAL D 275 30.540 60.154 26.327 1.00 34.63 C +ATOM 7684 N ALA D 276 30.885 58.032 22.373 1.00 45.63 N +ATOM 7685 CA ALA D 276 30.638 57.137 21.232 1.00 45.06 C +ATOM 7686 C ALA D 276 31.655 56.008 21.229 1.00 45.44 C +ATOM 7687 O ALA D 276 31.159 54.914 20.982 1.00 46.99 O +ATOM 7688 CB ALA D 276 30.638 57.807 19.883 1.00 44.02 C +ATOM 7689 N GLU D 277 32.923 56.210 21.531 1.00 45.91 N +ATOM 7690 CA GLU D 277 33.818 55.072 21.528 1.00 48.83 C +ATOM 7691 C GLU D 277 33.373 54.112 22.601 1.00 49.53 C +ATOM 7692 O GLU D 277 33.028 53.006 22.186 1.00 52.24 O +ATOM 7693 CB GLU D 277 35.221 55.444 21.993 1.00 51.83 C +ATOM 7694 CG GLU D 277 35.567 56.741 21.251 1.00 54.37 C +ATOM 7695 CD GLU D 277 36.403 56.324 20.053 1.00 56.03 C +ATOM 7696 OE1 GLU D 277 36.059 55.315 19.405 1.00 55.78 O +ATOM 7697 OE2 GLU D 277 37.400 57.082 19.923 1.00 59.19 O +ATOM 7698 N PHE D 278 33.255 54.620 23.851 1.00 48.22 N +ATOM 7699 CA PHE D 278 32.779 53.588 24.793 1.00 45.85 C +ATOM 7700 C PHE D 278 31.465 53.088 24.224 1.00 46.22 C +ATOM 7701 O PHE D 278 31.453 51.853 24.306 1.00 45.51 O +ATOM 7702 CB PHE D 278 32.781 53.893 26.257 1.00 44.08 C +ATOM 7703 CG PHE D 278 34.107 54.312 26.843 1.00 41.71 C +ATOM 7704 CD1 PHE D 278 34.993 53.447 27.438 1.00 40.87 C +ATOM 7705 CD2 PHE D 278 34.417 55.660 26.776 1.00 40.99 C +ATOM 7706 CE1 PHE D 278 36.192 53.937 27.938 1.00 41.63 C +ATOM 7707 CE2 PHE D 278 35.610 56.139 27.279 1.00 40.95 C +ATOM 7708 CZ PHE D 278 36.518 55.282 27.861 1.00 40.67 C +ATOM 7709 N VAL D 279 30.535 53.805 23.578 1.00 47.79 N +ATOM 7710 CA VAL D 279 29.394 53.029 23.065 1.00 51.11 C +ATOM 7711 C VAL D 279 29.817 51.995 22.017 1.00 53.56 C +ATOM 7712 O VAL D 279 29.294 50.871 22.071 1.00 52.61 O +ATOM 7713 CB VAL D 279 28.185 53.832 22.591 1.00 49.25 C +ATOM 7714 CG1 VAL D 279 26.988 52.905 22.463 1.00 48.37 C +ATOM 7715 CG2 VAL D 279 27.823 54.975 23.522 1.00 48.41 C +ATOM 7716 N TYR D 280 30.765 52.291 21.133 1.00 57.26 N +ATOM 7717 CA TYR D 280 31.194 51.392 20.075 1.00 60.66 C +ATOM 7718 C TYR D 280 31.666 50.056 20.603 1.00 60.63 C +ATOM 7719 O TYR D 280 31.064 49.050 20.203 1.00 57.85 O +ATOM 7720 CB TYR D 280 32.121 52.072 19.040 1.00 63.80 C +ATOM 7721 CG TYR D 280 32.834 51.080 18.135 1.00 67.86 C +ATOM 7722 CD1 TYR D 280 32.130 50.159 17.359 1.00 69.80 C +ATOM 7723 CD2 TYR D 280 34.219 51.017 18.069 1.00 69.48 C +ATOM 7724 CE1 TYR D 280 32.773 49.234 16.565 1.00 70.94 C +ATOM 7725 CE2 TYR D 280 34.874 50.102 17.271 1.00 70.67 C +ATOM 7726 CZ TYR D 280 34.152 49.202 16.517 1.00 70.91 C +ATOM 7727 OH TYR D 280 34.786 48.261 15.723 1.00 70.62 O +ATOM 7728 N ILE D 281 32.607 49.938 21.526 1.00 63.22 N +ATOM 7729 CA ILE D 281 33.113 48.685 22.053 1.00 65.80 C +ATOM 7730 C ILE D 281 32.176 47.845 22.904 1.00 68.69 C +ATOM 7731 O ILE D 281 32.674 46.914 23.556 1.00 69.39 O +ATOM 7732 CB ILE D 281 34.423 48.798 22.866 1.00 64.83 C +ATOM 7733 CG1 ILE D 281 34.546 50.190 23.502 1.00 64.24 C +ATOM 7734 CG2 ILE D 281 35.729 48.468 22.161 1.00 64.23 C +ATOM 7735 CD1 ILE D 281 34.115 50.063 24.955 1.00 64.44 C +ATOM 7736 N THR D 282 30.871 48.055 22.910 1.00 72.91 N +ATOM 7737 CA THR D 282 29.985 47.188 23.682 1.00 76.95 C +ATOM 7738 C THR D 282 29.127 46.393 22.710 1.00 79.49 C +ATOM 7739 O THR D 282 28.139 45.765 23.070 1.00 78.97 O +ATOM 7740 CB THR D 282 29.206 47.960 24.765 1.00 77.11 C +ATOM 7741 OG1 THR D 282 27.978 48.507 24.249 1.00 78.61 O +ATOM 7742 CG2 THR D 282 29.978 49.118 25.395 1.00 77.24 C +ATOM 7743 N ASP D 283 29.452 46.356 21.427 1.00 82.88 N +ATOM 7744 CA ASP D 283 28.865 45.896 20.194 1.00 86.20 C +ATOM 7745 C ASP D 283 27.407 46.388 20.163 1.00 86.25 C +ATOM 7746 O ASP D 283 26.418 45.737 19.864 1.00 86.73 O +ATOM 7747 CB ASP D 283 28.806 44.479 19.671 1.00 89.19 C +ATOM 7748 CG ASP D 283 28.358 44.193 18.245 1.00 91.00 C +ATOM 7749 OD1 ASP D 283 27.396 44.744 17.656 1.00 92.34 O +ATOM 7750 OD2 ASP D 283 28.964 43.314 17.572 1.00 91.91 O +ATOM 7751 N ASP D 284 27.293 47.649 20.557 1.00 86.44 N +ATOM 7752 CA ASP D 284 26.009 48.314 20.746 1.00 85.47 C +ATOM 7753 C ASP D 284 25.067 47.332 21.452 1.00 81.78 C +ATOM 7754 O ASP D 284 23.996 46.932 21.011 1.00 82.22 O +ATOM 7755 CB ASP D 284 25.539 48.942 19.443 1.00 87.72 C +ATOM 7756 CG ASP D 284 26.666 49.378 18.512 1.00 88.20 C +ATOM 7757 OD1 ASP D 284 27.797 49.689 18.955 1.00 88.48 O +ATOM 7758 OD2 ASP D 284 26.395 49.352 17.295 1.00 88.70 O +ATOM 7759 N THR D 285 25.519 46.931 22.658 1.00 76.96 N +ATOM 7760 CA THR D 285 24.769 46.118 23.599 1.00 71.85 C +ATOM 7761 C THR D 285 23.852 47.130 24.320 1.00 67.08 C +ATOM 7762 O THR D 285 22.729 46.881 24.727 1.00 66.25 O +ATOM 7763 CB THR D 285 25.677 45.403 24.622 1.00 71.79 C +ATOM 7764 OG1 THR D 285 26.289 44.231 24.033 1.00 71.88 O +ATOM 7765 CG2 THR D 285 24.945 44.991 25.884 1.00 70.43 C +ATOM 7766 N TYR D 286 24.417 48.337 24.497 1.00 60.23 N +ATOM 7767 CA TYR D 286 23.775 49.446 25.123 1.00 55.40 C +ATOM 7768 C TYR D 286 24.038 50.750 24.365 1.00 53.28 C +ATOM 7769 O TYR D 286 25.111 51.165 24.004 1.00 53.25 O +ATOM 7770 CB TYR D 286 24.213 49.733 26.560 1.00 52.95 C +ATOM 7771 CG TYR D 286 24.687 48.604 27.454 1.00 50.25 C +ATOM 7772 CD1 TYR D 286 23.766 47.726 28.009 1.00 48.68 C +ATOM 7773 CD2 TYR D 286 26.027 48.396 27.751 1.00 49.18 C +ATOM 7774 CE1 TYR D 286 24.156 46.685 28.809 1.00 47.75 C +ATOM 7775 CE2 TYR D 286 26.435 47.345 28.542 1.00 48.26 C +ATOM 7776 CZ TYR D 286 25.498 46.504 29.081 1.00 48.01 C +ATOM 7777 OH TYR D 286 25.879 45.472 29.901 1.00 48.31 O +ATOM 7778 N THR D 287 23.021 51.581 24.311 1.00 51.64 N +ATOM 7779 CA THR D 287 22.882 52.893 23.802 1.00 49.28 C +ATOM 7780 C THR D 287 23.730 53.939 24.515 1.00 48.40 C +ATOM 7781 O THR D 287 24.013 53.830 25.703 1.00 48.00 O +ATOM 7782 CB THR D 287 21.431 53.373 24.090 1.00 49.69 C +ATOM 7783 OG1 THR D 287 21.284 53.725 25.478 1.00 49.84 O +ATOM 7784 CG2 THR D 287 20.491 52.273 23.647 1.00 48.89 C +ATOM 7785 N LYS D 288 23.914 55.065 23.837 1.00 46.14 N +ATOM 7786 CA LYS D 288 24.633 56.167 24.429 1.00 44.72 C +ATOM 7787 C LYS D 288 23.920 56.698 25.651 1.00 45.00 C +ATOM 7788 O LYS D 288 24.637 57.206 26.513 1.00 45.75 O +ATOM 7789 CB LYS D 288 24.801 57.267 23.374 1.00 43.71 C +ATOM 7790 CG LYS D 288 25.446 58.555 23.891 1.00 41.57 C +ATOM 7791 CD LYS D 288 26.220 59.139 22.756 1.00 41.77 C +ATOM 7792 CE LYS D 288 26.385 60.622 22.670 1.00 41.66 C +ATOM 7793 NZ LYS D 288 26.341 61.117 21.259 1.00 40.84 N +ATOM 7794 N LYS D 289 22.602 56.728 25.765 1.00 45.43 N +ATOM 7795 CA LYS D 289 21.893 57.337 26.899 1.00 45.72 C +ATOM 7796 C LYS D 289 22.038 56.451 28.129 1.00 44.65 C +ATOM 7797 O LYS D 289 22.157 56.951 29.265 1.00 44.02 O +ATOM 7798 CB LYS D 289 20.444 57.640 26.560 1.00 48.34 C +ATOM 7799 CG LYS D 289 19.503 58.640 27.106 1.00 50.25 C +ATOM 7800 CD LYS D 289 19.239 59.968 26.400 1.00 52.43 C +ATOM 7801 CE LYS D 289 19.812 61.164 27.150 1.00 52.26 C +ATOM 7802 NZ LYS D 289 19.207 62.521 26.993 1.00 50.56 N +ATOM 7803 N GLN D 290 22.093 55.127 27.928 1.00 42.41 N +ATOM 7804 CA GLN D 290 22.374 54.318 29.121 1.00 41.67 C +ATOM 7805 C GLN D 290 23.815 54.531 29.571 1.00 40.89 C +ATOM 7806 O GLN D 290 24.013 54.527 30.787 1.00 39.42 O +ATOM 7807 CB GLN D 290 22.105 52.858 28.904 1.00 41.86 C +ATOM 7808 CG GLN D 290 20.664 52.581 28.483 1.00 42.20 C +ATOM 7809 CD GLN D 290 20.698 51.125 28.080 1.00 43.80 C +ATOM 7810 OE1 GLN D 290 21.218 50.853 26.991 1.00 44.76 O +ATOM 7811 NE2 GLN D 290 20.205 50.318 29.015 1.00 45.72 N +ATOM 7812 N VAL D 291 24.750 54.813 28.663 1.00 39.85 N +ATOM 7813 CA VAL D 291 26.136 54.978 29.093 1.00 41.20 C +ATOM 7814 C VAL D 291 26.138 56.208 29.976 1.00 42.86 C +ATOM 7815 O VAL D 291 26.395 56.189 31.179 1.00 43.96 O +ATOM 7816 CB VAL D 291 27.134 55.006 27.938 1.00 40.85 C +ATOM 7817 CG1 VAL D 291 28.530 55.330 28.391 1.00 39.13 C +ATOM 7818 CG2 VAL D 291 27.149 53.648 27.206 1.00 39.91 C +ATOM 7819 N LEU D 292 25.668 57.263 29.345 1.00 44.25 N +ATOM 7820 CA LEU D 292 25.493 58.573 29.974 1.00 45.69 C +ATOM 7821 C LEU D 292 24.704 58.492 31.280 1.00 44.87 C +ATOM 7822 O LEU D 292 25.127 59.057 32.302 1.00 42.57 O +ATOM 7823 CB LEU D 292 24.901 59.447 28.876 1.00 46.36 C +ATOM 7824 CG LEU D 292 25.707 60.546 28.187 1.00 46.83 C +ATOM 7825 CD1 LEU D 292 27.163 60.710 28.587 1.00 46.55 C +ATOM 7826 CD2 LEU D 292 25.719 60.289 26.684 1.00 47.27 C +ATOM 7827 N ARG D 293 23.578 57.793 31.341 1.00 45.06 N +ATOM 7828 CA ARG D 293 22.844 57.633 32.588 1.00 46.28 C +ATOM 7829 C ARG D 293 23.610 56.831 33.614 1.00 43.96 C +ATOM 7830 O ARG D 293 23.907 57.419 34.666 1.00 41.08 O +ATOM 7831 CB ARG D 293 21.445 57.073 32.373 1.00 50.22 C +ATOM 7832 CG ARG D 293 20.485 58.254 32.122 1.00 55.35 C +ATOM 7833 CD ARG D 293 19.202 57.748 31.524 1.00 60.68 C +ATOM 7834 NE ARG D 293 18.149 58.690 31.287 1.00 64.91 N +ATOM 7835 CZ ARG D 293 18.119 59.851 30.653 1.00 67.63 C +ATOM 7836 NH1 ARG D 293 16.928 60.462 30.607 1.00 68.07 N +ATOM 7837 NH2 ARG D 293 19.200 60.408 30.099 1.00 68.40 N +ATOM 7838 N MET D 294 24.073 55.611 33.314 1.00 42.65 N +ATOM 7839 CA MET D 294 24.909 54.888 34.277 1.00 39.88 C +ATOM 7840 C MET D 294 26.064 55.710 34.838 1.00 39.59 C +ATOM 7841 O MET D 294 26.493 55.488 35.965 1.00 36.24 O +ATOM 7842 CB MET D 294 25.509 53.637 33.629 1.00 39.68 C +ATOM 7843 CG MET D 294 26.385 52.755 34.532 1.00 36.78 C +ATOM 7844 SD MET D 294 25.379 52.099 35.864 1.00 33.28 S +ATOM 7845 CE MET D 294 24.523 50.790 34.985 1.00 29.39 C +ATOM 7846 N GLU D 295 26.700 56.574 34.073 1.00 42.34 N +ATOM 7847 CA GLU D 295 27.849 57.368 34.439 1.00 45.08 C +ATOM 7848 C GLU D 295 27.455 58.195 35.653 1.00 46.33 C +ATOM 7849 O GLU D 295 28.060 58.195 36.719 1.00 46.66 O +ATOM 7850 CB GLU D 295 28.304 58.315 33.313 1.00 46.19 C +ATOM 7851 CG GLU D 295 29.346 59.351 33.618 1.00 47.44 C +ATOM 7852 CD GLU D 295 29.810 60.421 32.673 1.00 49.10 C +ATOM 7853 OE1 GLU D 295 29.116 61.288 32.070 1.00 49.89 O +ATOM 7854 OE2 GLU D 295 31.046 60.528 32.480 1.00 49.23 O +ATOM 7855 N HIS D 296 26.378 58.924 35.436 1.00 45.53 N +ATOM 7856 CA HIS D 296 25.823 59.796 36.469 1.00 44.81 C +ATOM 7857 C HIS D 296 25.498 59.096 37.770 1.00 42.47 C +ATOM 7858 O HIS D 296 25.718 59.548 38.904 1.00 41.48 O +ATOM 7859 CB HIS D 296 24.628 60.333 35.694 1.00 47.70 C +ATOM 7860 CG HIS D 296 24.046 61.502 36.379 1.00 51.09 C +ATOM 7861 ND1 HIS D 296 24.550 62.772 36.324 1.00 52.99 N +ATOM 7862 CD2 HIS D 296 22.956 61.530 37.168 1.00 53.09 C +ATOM 7863 CE1 HIS D 296 23.777 63.555 37.050 1.00 54.19 C +ATOM 7864 NE2 HIS D 296 22.817 62.830 37.594 1.00 54.36 N +ATOM 7865 N LEU D 297 24.909 57.916 37.664 1.00 39.32 N +ATOM 7866 CA LEU D 297 24.516 56.982 38.662 1.00 37.97 C +ATOM 7867 C LEU D 297 25.792 56.428 39.327 1.00 39.41 C +ATOM 7868 O LEU D 297 25.721 56.288 40.556 1.00 41.37 O +ATOM 7869 CB LEU D 297 23.781 55.709 38.231 1.00 35.39 C +ATOM 7870 CG LEU D 297 23.457 54.764 39.412 1.00 34.13 C +ATOM 7871 CD1 LEU D 297 22.514 55.455 40.402 1.00 32.05 C +ATOM 7872 CD2 LEU D 297 22.837 53.465 38.916 1.00 31.07 C +ATOM 7873 N VAL D 298 26.859 56.230 38.554 1.00 37.63 N +ATOM 7874 CA VAL D 298 28.102 55.815 39.198 1.00 37.25 C +ATOM 7875 C VAL D 298 28.664 56.966 40.015 1.00 38.39 C +ATOM 7876 O VAL D 298 29.168 56.695 41.117 1.00 39.77 O +ATOM 7877 CB VAL D 298 29.129 55.179 38.252 1.00 35.73 C +ATOM 7878 CG1 VAL D 298 30.553 55.252 38.737 1.00 33.95 C +ATOM 7879 CG2 VAL D 298 28.672 53.742 38.025 1.00 34.47 C +ATOM 7880 N LEU D 299 28.567 58.219 39.614 1.00 38.91 N +ATOM 7881 CA LEU D 299 29.081 59.342 40.379 1.00 39.03 C +ATOM 7882 C LEU D 299 28.292 59.529 41.667 1.00 40.49 C +ATOM 7883 O LEU D 299 28.851 59.734 42.740 1.00 40.42 O +ATOM 7884 CB LEU D 299 29.104 60.640 39.578 1.00 37.84 C +ATOM 7885 CG LEU D 299 30.190 60.820 38.517 1.00 38.17 C +ATOM 7886 CD1 LEU D 299 29.728 61.727 37.365 1.00 34.88 C +ATOM 7887 CD2 LEU D 299 31.474 61.380 39.127 1.00 37.64 C +ATOM 7888 N LYS D 300 26.969 59.473 41.629 1.00 43.02 N +ATOM 7889 CA LYS D 300 26.156 59.572 42.811 1.00 43.76 C +ATOM 7890 C LYS D 300 26.541 58.455 43.771 1.00 41.83 C +ATOM 7891 O LYS D 300 26.757 58.761 44.935 1.00 43.01 O +ATOM 7892 CB LYS D 300 24.671 59.322 42.527 1.00 48.32 C +ATOM 7893 CG LYS D 300 24.111 60.465 41.673 1.00 52.17 C +ATOM 7894 CD LYS D 300 22.612 60.163 41.475 1.00 56.18 C +ATOM 7895 CE LYS D 300 22.171 60.663 40.096 1.00 57.31 C +ATOM 7896 NZ LYS D 300 22.554 62.118 40.020 1.00 59.64 N +ATOM 7897 N VAL D 301 26.594 57.215 43.307 1.00 38.42 N +ATOM 7898 CA VAL D 301 26.917 56.132 44.225 1.00 35.49 C +ATOM 7899 C VAL D 301 28.229 56.282 44.956 1.00 34.54 C +ATOM 7900 O VAL D 301 28.206 56.173 46.193 1.00 33.71 O +ATOM 7901 CB VAL D 301 26.691 54.800 43.530 1.00 34.01 C +ATOM 7902 CG1 VAL D 301 27.284 53.641 44.315 1.00 33.51 C +ATOM 7903 CG2 VAL D 301 25.179 54.747 43.411 1.00 30.82 C +ATOM 7904 N LEU D 302 29.248 56.748 44.274 1.00 35.02 N +ATOM 7905 CA LEU D 302 30.568 57.046 44.793 1.00 36.50 C +ATOM 7906 C LEU D 302 30.735 58.432 45.366 1.00 38.15 C +ATOM 7907 O LEU D 302 31.825 58.926 45.747 1.00 39.13 O +ATOM 7908 CB LEU D 302 31.575 56.866 43.649 1.00 35.70 C +ATOM 7909 CG LEU D 302 31.499 55.525 42.885 1.00 34.79 C +ATOM 7910 CD1 LEU D 302 32.683 55.367 41.942 1.00 31.92 C +ATOM 7911 CD2 LEU D 302 31.474 54.409 43.931 1.00 35.57 C +ATOM 7912 N THR D 303 29.661 59.235 45.336 1.00 38.34 N +ATOM 7913 CA THR D 303 29.610 60.606 45.833 1.00 37.58 C +ATOM 7914 C THR D 303 30.777 61.455 45.347 1.00 38.56 C +ATOM 7915 O THR D 303 31.335 62.287 46.044 1.00 38.57 O +ATOM 7916 CB THR D 303 29.538 60.761 47.376 1.00 35.17 C +ATOM 7917 OG1 THR D 303 30.770 60.296 47.929 1.00 33.25 O +ATOM 7918 CG2 THR D 303 28.365 59.981 47.932 1.00 32.12 C +ATOM 7919 N PHE D 304 31.111 61.262 44.083 1.00 40.63 N +ATOM 7920 CA PHE D 304 32.152 61.890 43.322 1.00 41.99 C +ATOM 7921 C PHE D 304 33.513 61.618 43.957 1.00 40.91 C +ATOM 7922 O PHE D 304 34.382 62.491 43.851 1.00 38.22 O +ATOM 7923 CB PHE D 304 32.036 63.421 43.249 1.00 43.65 C +ATOM 7924 CG PHE D 304 30.927 63.920 42.399 1.00 45.44 C +ATOM 7925 CD1 PHE D 304 31.169 64.659 41.264 1.00 47.17 C +ATOM 7926 CD2 PHE D 304 29.613 63.651 42.741 1.00 47.40 C +ATOM 7927 CE1 PHE D 304 30.127 65.135 40.475 1.00 47.82 C +ATOM 7928 CE2 PHE D 304 28.562 64.113 41.969 1.00 47.72 C +ATOM 7929 CZ PHE D 304 28.831 64.867 40.837 1.00 47.65 C +ATOM 7930 N ASP D 305 33.629 60.473 44.628 1.00 40.39 N +ATOM 7931 CA ASP D 305 34.944 60.285 45.279 1.00 40.78 C +ATOM 7932 C ASP D 305 35.761 59.372 44.418 1.00 40.50 C +ATOM 7933 O ASP D 305 35.815 58.177 44.658 1.00 39.49 O +ATOM 7934 CB ASP D 305 34.718 59.763 46.681 1.00 42.32 C +ATOM 7935 CG ASP D 305 34.135 60.836 47.589 1.00 43.27 C +ATOM 7936 OD1 ASP D 305 34.259 62.048 47.283 1.00 42.90 O +ATOM 7937 OD2 ASP D 305 33.540 60.330 48.573 1.00 43.41 O +ATOM 7938 N LEU D 306 36.373 59.918 43.366 1.00 43.19 N +ATOM 7939 CA LEU D 306 37.080 59.133 42.378 1.00 43.59 C +ATOM 7940 C LEU D 306 38.586 59.103 42.422 1.00 43.22 C +ATOM 7941 O LEU D 306 39.206 58.329 41.679 1.00 41.11 O +ATOM 7942 CB LEU D 306 36.768 59.746 41.011 1.00 44.35 C +ATOM 7943 CG LEU D 306 35.312 59.945 40.669 1.00 44.13 C +ATOM 7944 CD1 LEU D 306 35.315 60.357 39.197 1.00 44.85 C +ATOM 7945 CD2 LEU D 306 34.512 58.675 40.821 1.00 44.43 C +ATOM 7946 N ALA D 307 39.159 60.000 43.210 1.00 44.29 N +ATOM 7947 CA ALA D 307 40.612 60.043 43.324 1.00 45.68 C +ATOM 7948 C ALA D 307 41.199 58.950 44.190 1.00 46.67 C +ATOM 7949 O ALA D 307 42.019 59.284 45.066 1.00 48.45 O +ATOM 7950 CB ALA D 307 40.960 61.360 44.017 1.00 46.54 C +ATOM 7951 N ALA D 308 40.847 57.703 44.086 1.00 46.80 N +ATOM 7952 CA ALA D 308 41.218 56.533 44.828 1.00 47.77 C +ATOM 7953 C ALA D 308 42.573 55.974 44.459 1.00 50.84 C +ATOM 7954 O ALA D 308 43.026 56.078 43.321 1.00 53.39 O +ATOM 7955 CB ALA D 308 40.139 55.489 44.585 1.00 46.10 C +ATOM 7956 N PRO D 309 43.297 55.423 45.423 1.00 52.53 N +ATOM 7957 CA PRO D 309 44.653 54.897 45.290 1.00 52.56 C +ATOM 7958 C PRO D 309 44.724 53.498 44.723 1.00 51.46 C +ATOM 7959 O PRO D 309 43.720 52.784 44.805 1.00 52.31 O +ATOM 7960 CB PRO D 309 45.214 54.889 46.713 1.00 52.56 C +ATOM 7961 CG PRO D 309 44.175 55.567 47.540 1.00 52.20 C +ATOM 7962 CD PRO D 309 42.870 55.241 46.835 1.00 52.46 C +ATOM 7963 N THR D 310 45.787 53.133 44.029 1.00 49.90 N +ATOM 7964 CA THR D 310 45.754 51.776 43.474 1.00 50.10 C +ATOM 7965 C THR D 310 47.093 51.092 43.635 1.00 48.96 C +ATOM 7966 O THR D 310 48.094 51.781 43.787 1.00 48.39 O +ATOM 7967 CB THR D 310 45.513 51.867 41.953 1.00 50.94 C +ATOM 7968 OG1 THR D 310 46.563 52.701 41.415 1.00 51.09 O +ATOM 7969 CG2 THR D 310 44.182 52.465 41.516 1.00 50.70 C +ATOM 7970 N VAL D 311 47.088 49.799 43.390 1.00 48.03 N +ATOM 7971 CA VAL D 311 48.259 48.922 43.301 1.00 47.14 C +ATOM 7972 C VAL D 311 49.318 49.546 42.414 1.00 49.43 C +ATOM 7973 O VAL D 311 50.515 49.672 42.639 1.00 48.97 O +ATOM 7974 CB VAL D 311 47.701 47.667 42.617 1.00 44.75 C +ATOM 7975 CG1 VAL D 311 48.637 46.894 41.735 1.00 45.25 C +ATOM 7976 CG2 VAL D 311 47.141 46.830 43.756 1.00 44.17 C +ATOM 7977 N ASN D 312 48.769 50.014 41.280 1.00 52.32 N +ATOM 7978 CA ASN D 312 49.626 50.718 40.333 1.00 54.29 C +ATOM 7979 C ASN D 312 50.216 51.899 41.064 1.00 53.88 C +ATOM 7980 O ASN D 312 51.457 51.934 41.002 1.00 54.43 O +ATOM 7981 CB ASN D 312 48.926 50.885 39.003 1.00 54.66 C +ATOM 7982 CG ASN D 312 49.364 52.143 38.279 1.00 55.94 C +ATOM 7983 OD1 ASN D 312 50.385 52.191 37.581 1.00 55.94 O +ATOM 7984 ND2 ASN D 312 48.523 53.156 38.508 1.00 56.52 N +ATOM 7985 N GLN D 313 49.608 52.740 41.858 1.00 55.24 N +ATOM 7986 CA GLN D 313 50.287 53.867 42.507 1.00 56.37 C +ATOM 7987 C GLN D 313 51.462 53.494 43.405 1.00 57.25 C +ATOM 7988 O GLN D 313 52.516 54.142 43.365 1.00 57.84 O +ATOM 7989 CB GLN D 313 49.279 54.714 43.284 1.00 56.28 C +ATOM 7990 CG GLN D 313 48.767 55.910 42.451 1.00 56.23 C +ATOM 7991 CD GLN D 313 47.257 55.977 42.639 1.00 55.89 C +ATOM 7992 OE1 GLN D 313 46.756 56.606 43.566 1.00 54.66 O +ATOM 7993 NE2 GLN D 313 46.583 55.257 41.744 1.00 56.02 N +ATOM 7994 N PHE D 314 51.256 52.458 44.205 1.00 57.72 N +ATOM 7995 CA PHE D 314 52.310 51.940 45.080 1.00 58.70 C +ATOM 7996 C PHE D 314 53.361 51.310 44.193 1.00 58.78 C +ATOM 7997 O PHE D 314 54.361 52.056 44.051 1.00 59.39 O +ATOM 7998 CB PHE D 314 51.624 51.154 46.166 1.00 59.79 C +ATOM 7999 CG PHE D 314 50.747 51.968 47.071 1.00 60.74 C +ATOM 8000 CD1 PHE D 314 51.233 53.214 47.461 1.00 61.19 C +ATOM 8001 CD2 PHE D 314 49.506 51.575 47.527 1.00 60.92 C +ATOM 8002 CE1 PHE D 314 50.506 54.049 48.276 1.00 61.22 C +ATOM 8003 CE2 PHE D 314 48.767 52.381 48.355 1.00 60.50 C +ATOM 8004 CZ PHE D 314 49.278 53.612 48.732 1.00 61.75 C +ATOM 8005 N LEU D 315 53.207 50.233 43.436 1.00 58.35 N +ATOM 8006 CA LEU D 315 54.264 49.855 42.502 1.00 57.73 C +ATOM 8007 C LEU D 315 55.156 50.991 42.049 1.00 58.16 C +ATOM 8008 O LEU D 315 56.287 51.024 42.565 1.00 59.90 O +ATOM 8009 CB LEU D 315 53.640 49.189 41.259 1.00 55.01 C +ATOM 8010 CG LEU D 315 53.189 47.819 41.775 1.00 53.57 C +ATOM 8011 CD1 LEU D 315 52.193 47.097 40.904 1.00 52.63 C +ATOM 8012 CD2 LEU D 315 54.414 46.973 42.128 1.00 53.50 C +ATOM 8013 N THR D 316 54.645 51.906 41.234 1.00 57.73 N +ATOM 8014 CA THR D 316 55.417 53.057 40.811 1.00 57.27 C +ATOM 8015 C THR D 316 56.167 53.791 41.905 1.00 56.64 C +ATOM 8016 O THR D 316 57.253 54.235 41.520 1.00 55.06 O +ATOM 8017 CB THR D 316 54.556 54.079 40.021 1.00 57.89 C +ATOM 8018 OG1 THR D 316 55.369 54.793 39.063 1.00 59.20 O +ATOM 8019 CG2 THR D 316 53.868 55.087 40.916 1.00 57.66 C +ATOM 8020 N GLN D 317 55.735 53.966 43.138 1.00 57.55 N +ATOM 8021 CA GLN D 317 56.551 54.767 44.081 1.00 59.69 C +ATOM 8022 C GLN D 317 57.829 54.053 44.502 1.00 60.41 C +ATOM 8023 O GLN D 317 58.989 54.430 44.465 1.00 60.83 O +ATOM 8024 CB GLN D 317 55.690 55.090 45.280 1.00 60.34 C +ATOM 8025 CG GLN D 317 55.489 56.543 45.699 1.00 61.02 C +ATOM 8026 CD GLN D 317 54.346 56.437 46.717 1.00 61.47 C +ATOM 8027 OE1 GLN D 317 53.416 55.675 46.417 1.00 62.75 O +ATOM 8028 NE2 GLN D 317 54.437 57.120 47.844 1.00 61.96 N +ATOM 8029 N TYR D 318 57.636 52.812 44.885 1.00 60.24 N +ATOM 8030 CA TYR D 318 58.458 51.721 45.286 1.00 58.97 C +ATOM 8031 C TYR D 318 59.450 51.194 44.239 1.00 61.18 C +ATOM 8032 O TYR D 318 60.166 50.202 44.422 1.00 62.15 O +ATOM 8033 CB TYR D 318 57.455 50.592 45.424 1.00 54.91 C +ATOM 8034 CG TYR D 318 56.415 50.452 46.473 1.00 50.58 C +ATOM 8035 CD1 TYR D 318 55.992 51.345 47.431 1.00 48.29 C +ATOM 8036 CD2 TYR D 318 55.766 49.201 46.408 1.00 49.68 C +ATOM 8037 CE1 TYR D 318 54.982 51.010 48.316 1.00 46.08 C +ATOM 8038 CE2 TYR D 318 54.752 48.846 47.272 1.00 47.91 C +ATOM 8039 CZ TYR D 318 54.384 49.772 48.227 1.00 47.23 C +ATOM 8040 OH TYR D 318 53.358 49.423 49.103 1.00 48.07 O +ATOM 8041 N PHE D 319 59.470 51.845 43.086 1.00 62.46 N +ATOM 8042 CA PHE D 319 60.298 51.611 41.929 1.00 62.94 C +ATOM 8043 C PHE D 319 61.508 52.525 42.041 1.00 64.30 C +ATOM 8044 O PHE D 319 62.497 52.508 41.327 1.00 64.32 O +ATOM 8045 CB PHE D 319 59.541 52.018 40.658 1.00 60.92 C +ATOM 8046 CG PHE D 319 58.708 50.914 40.088 1.00 60.22 C +ATOM 8047 CD1 PHE D 319 58.545 49.718 40.762 1.00 60.42 C +ATOM 8048 CD2 PHE D 319 58.060 51.086 38.874 1.00 59.09 C +ATOM 8049 CE1 PHE D 319 57.771 48.707 40.214 1.00 60.44 C +ATOM 8050 CE2 PHE D 319 57.282 50.088 38.327 1.00 59.26 C +ATOM 8051 CZ PHE D 319 57.138 48.890 38.993 1.00 60.20 C +ATOM 8052 N LEU D 320 61.311 53.396 43.027 1.00 66.56 N +ATOM 8053 CA LEU D 320 62.381 54.332 43.400 1.00 69.74 C +ATOM 8054 C LEU D 320 63.298 53.544 44.303 1.00 71.57 C +ATOM 8055 O LEU D 320 64.482 53.826 44.369 1.00 71.94 O +ATOM 8056 CB LEU D 320 61.725 55.611 43.900 1.00 68.50 C +ATOM 8057 CG LEU D 320 60.886 56.231 42.748 1.00 67.12 C +ATOM 8058 CD1 LEU D 320 60.379 57.575 43.228 1.00 67.66 C +ATOM 8059 CD2 LEU D 320 61.687 56.309 41.452 1.00 66.97 C +ATOM 8060 N HIS D 321 62.790 52.455 44.874 1.00 75.58 N +ATOM 8061 CA HIS D 321 63.609 51.590 45.726 1.00 79.71 C +ATOM 8062 C HIS D 321 64.593 50.789 44.899 1.00 82.07 C +ATOM 8063 O HIS D 321 65.802 50.839 45.238 1.00 82.80 O +ATOM 8064 CB HIS D 321 62.608 50.936 46.680 1.00 79.75 C +ATOM 8065 CG HIS D 321 62.025 52.023 47.554 1.00 80.05 C +ATOM 8066 ND1 HIS D 321 62.322 52.073 48.896 1.00 80.29 N +ATOM 8067 CD2 HIS D 321 61.217 53.079 47.301 1.00 80.55 C +ATOM 8068 CE1 HIS D 321 61.710 53.118 49.426 1.00 81.17 C +ATOM 8069 NE2 HIS D 321 61.030 53.758 48.484 1.00 81.55 N +ATOM 8070 N GLN D 322 64.249 50.174 43.764 1.00 85.19 N +ATOM 8071 CA GLN D 322 65.259 49.509 42.950 1.00 87.73 C +ATOM 8072 C GLN D 322 66.347 50.555 42.567 1.00 89.28 C +ATOM 8073 O GLN D 322 66.029 51.680 42.174 1.00 89.32 O +ATOM 8074 CB GLN D 322 64.832 48.951 41.624 1.00 88.60 C +ATOM 8075 CG GLN D 322 63.521 48.493 41.109 1.00 88.73 C +ATOM 8076 CD GLN D 322 63.321 48.908 39.652 1.00 88.64 C +ATOM 8077 OE1 GLN D 322 63.527 48.153 38.708 1.00 89.44 O +ATOM 8078 NE2 GLN D 322 62.898 50.168 39.530 1.00 89.55 N +ATOM 8079 N GLN D 323 67.597 50.108 42.583 1.00 91.68 N +ATOM 8080 CA GLN D 323 68.724 50.989 42.194 1.00 93.09 C +ATOM 8081 C GLN D 323 69.733 50.135 41.482 1.00 93.36 C +ATOM 8082 O GLN D 323 70.380 49.672 42.415 1.00 93.95 O +ATOM 8083 CB GLN D 323 69.080 51.846 43.368 1.00 93.61 C +ATOM 8084 CG GLN D 323 70.384 52.334 43.836 1.00 94.91 C +ATOM 8085 CD GLN D 323 71.541 52.552 42.916 1.00 95.51 C +ATOM 8086 OE1 GLN D 323 71.576 52.241 41.728 1.00 95.93 O +ATOM 8087 NE2 GLN D 323 72.621 53.107 43.474 1.00 95.74 N +ATOM 8088 N PRO D 324 70.219 50.537 40.329 1.00 93.49 N +ATOM 8089 CA PRO D 324 69.548 50.848 39.115 1.00 93.06 C +ATOM 8090 C PRO D 324 68.454 49.878 38.643 1.00 91.79 C +ATOM 8091 O PRO D 324 68.537 48.651 38.609 1.00 91.70 O +ATOM 8092 CB PRO D 324 70.589 51.070 38.018 1.00 93.11 C +ATOM 8093 CG PRO D 324 71.496 49.924 38.287 1.00 93.65 C +ATOM 8094 CD PRO D 324 71.319 49.698 39.753 1.00 93.92 C +ATOM 8095 N ALA D 325 67.376 50.521 38.220 1.00 89.60 N +ATOM 8096 CA ALA D 325 66.137 49.991 37.745 1.00 87.98 C +ATOM 8097 C ALA D 325 66.047 49.003 36.592 1.00 86.35 C +ATOM 8098 O ALA D 325 66.173 49.336 35.420 1.00 86.03 O +ATOM 8099 CB ALA D 325 65.266 51.192 37.312 1.00 87.39 C +ATOM 8100 N ASN D 326 65.686 47.761 36.949 1.00 85.10 N +ATOM 8101 CA ASN D 326 65.376 46.740 35.974 1.00 84.52 C +ATOM 8102 C ASN D 326 63.874 46.917 35.669 1.00 83.13 C +ATOM 8103 O ASN D 326 62.994 46.917 36.523 1.00 83.64 O +ATOM 8104 CB ASN D 326 65.560 45.263 36.279 1.00 84.74 C +ATOM 8105 CG ASN D 326 65.462 44.456 34.975 1.00 84.09 C +ATOM 8106 OD1 ASN D 326 65.030 44.942 33.915 1.00 85.10 O +ATOM 8107 ND2 ASN D 326 65.882 43.190 35.029 1.00 85.69 N +ATOM 8108 N CYS D 327 63.624 47.055 34.378 1.00 82.26 N +ATOM 8109 CA CYS D 327 62.287 47.274 33.866 1.00 81.21 C +ATOM 8110 C CYS D 327 61.595 45.976 33.486 1.00 79.71 C +ATOM 8111 O CYS D 327 60.538 46.003 32.846 1.00 79.82 O +ATOM 8112 CB CYS D 327 62.363 48.146 32.593 1.00 81.67 C +ATOM 8113 SG CYS D 327 63.556 47.392 31.465 1.00 82.02 S +ATOM 8114 N LYS D 328 62.246 44.845 33.769 1.00 78.73 N +ATOM 8115 CA LYS D 328 61.519 43.592 33.516 1.00 77.61 C +ATOM 8116 C LYS D 328 61.017 43.264 34.931 1.00 76.97 C +ATOM 8117 O LYS D 328 59.877 42.814 34.990 1.00 77.11 O +ATOM 8118 CB LYS D 328 62.087 42.508 32.698 1.00 77.29 C +ATOM 8119 CG LYS D 328 63.061 41.444 33.051 1.00 78.02 C +ATOM 8120 CD LYS D 328 64.439 41.803 32.528 1.00 78.87 C +ATOM 8121 CE LYS D 328 64.943 40.894 31.420 1.00 78.74 C +ATOM 8122 NZ LYS D 328 65.667 39.721 32.012 1.00 79.66 N +ATOM 8123 N VAL D 329 61.747 43.687 35.985 1.00 75.26 N +ATOM 8124 CA VAL D 329 61.115 43.534 37.300 1.00 73.37 C +ATOM 8125 C VAL D 329 59.941 44.535 37.207 1.00 72.36 C +ATOM 8126 O VAL D 329 58.822 44.036 37.354 1.00 73.16 O +ATOM 8127 CB VAL D 329 61.884 43.715 38.599 1.00 73.24 C +ATOM 8128 CG1 VAL D 329 60.936 44.010 39.773 1.00 73.08 C +ATOM 8129 CG2 VAL D 329 62.678 42.491 39.041 1.00 73.01 C +ATOM 8130 N GLU D 330 60.173 45.808 36.888 1.00 70.11 N +ATOM 8131 CA GLU D 330 59.070 46.764 36.788 1.00 67.68 C +ATOM 8132 C GLU D 330 57.889 46.164 36.027 1.00 66.55 C +ATOM 8133 O GLU D 330 56.837 45.862 36.606 1.00 67.22 O +ATOM 8134 CB GLU D 330 59.428 48.093 36.125 1.00 66.40 C +ATOM 8135 CG GLU D 330 60.224 49.101 36.916 1.00 65.16 C +ATOM 8136 CD GLU D 330 60.297 50.479 36.300 1.00 65.45 C +ATOM 8137 OE1 GLU D 330 59.409 50.870 35.505 1.00 66.19 O +ATOM 8138 OE2 GLU D 330 61.228 51.265 36.593 1.00 65.49 O +ATOM 8139 N SER D 331 58.059 45.917 34.731 1.00 65.45 N +ATOM 8140 CA SER D 331 56.984 45.338 33.943 1.00 64.40 C +ATOM 8141 C SER D 331 56.401 44.072 34.560 1.00 63.80 C +ATOM 8142 O SER D 331 55.192 43.827 34.345 1.00 63.42 O +ATOM 8143 CB SER D 331 57.434 45.068 32.510 1.00 63.48 C +ATOM 8144 OG SER D 331 57.316 46.198 31.667 1.00 63.63 O +ATOM 8145 N LEU D 332 57.162 43.244 35.268 1.00 62.36 N +ATOM 8146 CA LEU D 332 56.646 42.012 35.861 1.00 62.39 C +ATOM 8147 C LEU D 332 55.816 42.214 37.132 1.00 61.97 C +ATOM 8148 O LEU D 332 55.071 41.332 37.581 1.00 61.15 O +ATOM 8149 CB LEU D 332 57.764 41.000 36.124 1.00 61.09 C +ATOM 8150 CG LEU D 332 57.357 39.524 36.185 1.00 60.50 C +ATOM 8151 CD1 LEU D 332 56.570 39.050 34.974 1.00 60.35 C +ATOM 8152 CD2 LEU D 332 58.582 38.637 36.395 1.00 60.54 C +ATOM 8153 N ALA D 333 55.938 43.375 37.750 1.00 62.28 N +ATOM 8154 CA ALA D 333 55.142 43.795 38.890 1.00 63.50 C +ATOM 8155 C ALA D 333 53.718 44.090 38.375 1.00 64.51 C +ATOM 8156 O ALA D 333 52.690 43.528 38.723 1.00 62.81 O +ATOM 8157 CB ALA D 333 55.671 45.128 39.415 1.00 63.09 C +ATOM 8158 N MET D 334 53.754 45.061 37.438 1.00 65.63 N +ATOM 8159 CA MET D 334 52.565 45.517 36.738 1.00 66.37 C +ATOM 8160 C MET D 334 51.702 44.322 36.362 1.00 66.54 C +ATOM 8161 O MET D 334 50.565 44.245 36.817 1.00 67.90 O +ATOM 8162 CB MET D 334 52.927 46.352 35.504 1.00 67.14 C +ATOM 8163 CG MET D 334 54.250 47.080 35.710 1.00 68.31 C +ATOM 8164 SD MET D 334 54.373 48.714 34.980 1.00 69.84 S +ATOM 8165 CE MET D 334 53.485 49.721 36.176 1.00 69.23 C +ATOM 8166 N PHE D 335 52.216 43.339 35.661 1.00 66.29 N +ATOM 8167 CA PHE D 335 51.536 42.132 35.241 1.00 66.48 C +ATOM 8168 C PHE D 335 50.909 41.349 36.391 1.00 65.62 C +ATOM 8169 O PHE D 335 49.823 40.735 36.380 1.00 64.58 O +ATOM 8170 CB PHE D 335 52.641 41.344 34.508 1.00 67.88 C +ATOM 8171 CG PHE D 335 52.267 39.921 34.250 1.00 68.73 C +ATOM 8172 CD1 PHE D 335 51.668 39.547 33.065 1.00 70.47 C +ATOM 8173 CD2 PHE D 335 52.502 38.947 35.209 1.00 69.62 C +ATOM 8174 CE1 PHE D 335 51.311 38.223 32.843 1.00 71.16 C +ATOM 8175 CE2 PHE D 335 52.163 37.633 35.004 1.00 69.49 C +ATOM 8176 CZ PHE D 335 51.565 37.274 33.816 1.00 69.69 C +ATOM 8177 N LEU D 336 51.704 41.332 37.476 1.00 64.54 N +ATOM 8178 CA LEU D 336 51.294 40.663 38.706 1.00 62.55 C +ATOM 8179 C LEU D 336 50.233 41.529 39.362 1.00 59.66 C +ATOM 8180 O LEU D 336 49.161 40.971 39.586 1.00 60.02 O +ATOM 8181 CB LEU D 336 52.445 40.346 39.653 1.00 63.37 C +ATOM 8182 CG LEU D 336 53.474 39.304 39.182 1.00 63.11 C +ATOM 8183 CD1 LEU D 336 54.191 38.738 40.395 1.00 63.56 C +ATOM 8184 CD2 LEU D 336 52.874 38.149 38.413 1.00 63.03 C +ATOM 8185 N GLY D 337 50.485 42.830 39.504 1.00 56.47 N +ATOM 8186 CA GLY D 337 49.455 43.686 40.119 1.00 55.15 C +ATOM 8187 C GLY D 337 48.137 43.471 39.382 1.00 53.44 C +ATOM 8188 O GLY D 337 47.103 43.067 39.878 1.00 52.26 O +ATOM 8189 N GLU D 338 48.227 43.687 38.084 1.00 52.58 N +ATOM 8190 CA GLU D 338 47.171 43.525 37.123 1.00 52.11 C +ATOM 8191 C GLU D 338 46.572 42.150 37.120 1.00 52.25 C +ATOM 8192 O GLU D 338 45.343 42.086 36.994 1.00 51.96 O +ATOM 8193 CB GLU D 338 47.749 43.844 35.740 1.00 51.31 C +ATOM 8194 CG GLU D 338 46.698 44.368 34.802 1.00 50.72 C +ATOM 8195 CD GLU D 338 47.253 45.143 33.632 1.00 50.02 C +ATOM 8196 OE1 GLU D 338 47.060 44.688 32.485 1.00 50.18 O +ATOM 8197 OE2 GLU D 338 47.866 46.195 33.868 1.00 48.97 O +ATOM 8198 N LEU D 339 47.293 41.038 37.332 1.00 52.81 N +ATOM 8199 CA LEU D 339 46.510 39.774 37.320 1.00 51.79 C +ATOM 8200 C LEU D 339 45.694 39.814 38.615 1.00 51.41 C +ATOM 8201 O LEU D 339 44.690 39.101 38.756 1.00 50.11 O +ATOM 8202 CB LEU D 339 47.312 38.561 37.051 1.00 51.74 C +ATOM 8203 CG LEU D 339 48.005 38.087 35.794 1.00 51.51 C +ATOM 8204 CD1 LEU D 339 49.152 37.166 36.273 1.00 51.80 C +ATOM 8205 CD2 LEU D 339 47.200 37.249 34.823 1.00 51.39 C +ATOM 8206 N SER D 340 46.110 40.624 39.605 1.00 51.15 N +ATOM 8207 CA SER D 340 45.218 40.733 40.759 1.00 51.31 C +ATOM 8208 C SER D 340 43.997 41.538 40.337 1.00 50.88 C +ATOM 8209 O SER D 340 42.965 40.888 40.642 1.00 52.00 O +ATOM 8210 CB SER D 340 45.917 41.067 42.045 1.00 50.44 C +ATOM 8211 OG SER D 340 46.456 42.364 41.992 1.00 51.14 O +ATOM 8212 N LEU D 341 43.818 42.586 39.542 1.00 49.64 N +ATOM 8213 CA LEU D 341 42.455 43.056 39.248 1.00 47.86 C +ATOM 8214 C LEU D 341 41.447 41.982 38.908 1.00 49.74 C +ATOM 8215 O LEU D 341 40.257 42.144 39.307 1.00 50.58 O +ATOM 8216 CB LEU D 341 42.512 44.189 38.222 1.00 42.90 C +ATOM 8217 CG LEU D 341 43.528 45.273 38.609 1.00 41.00 C +ATOM 8218 CD1 LEU D 341 43.907 46.114 37.395 1.00 40.47 C +ATOM 8219 CD2 LEU D 341 43.086 46.211 39.730 1.00 37.79 C +ATOM 8220 N ILE D 342 41.753 40.846 38.278 1.00 51.61 N +ATOM 8221 CA ILE D 342 40.725 39.872 37.951 1.00 52.82 C +ATOM 8222 C ILE D 342 40.178 39.050 39.097 1.00 55.83 C +ATOM 8223 O ILE D 342 39.071 38.490 38.947 1.00 55.28 O +ATOM 8224 CB ILE D 342 41.171 38.815 36.915 1.00 52.63 C +ATOM 8225 CG1 ILE D 342 42.341 39.214 36.054 1.00 52.24 C +ATOM 8226 CG2 ILE D 342 39.972 38.408 36.062 1.00 53.20 C +ATOM 8227 CD1 ILE D 342 42.329 40.220 34.964 1.00 52.03 C +ATOM 8228 N ASP D 343 40.947 38.748 40.157 1.00 58.97 N +ATOM 8229 CA ASP D 343 40.340 37.838 41.142 1.00 61.48 C +ATOM 8230 C ASP D 343 39.910 38.399 42.474 1.00 62.20 C +ATOM 8231 O ASP D 343 40.578 38.248 43.496 1.00 61.57 O +ATOM 8232 CB ASP D 343 41.185 36.556 41.302 1.00 62.70 C +ATOM 8233 CG ASP D 343 41.441 36.024 39.885 1.00 64.13 C +ATOM 8234 OD1 ASP D 343 40.634 35.217 39.384 1.00 64.00 O +ATOM 8235 OD2 ASP D 343 42.425 36.530 39.278 1.00 64.10 O +ATOM 8236 N ALA D 344 38.633 38.814 42.512 1.00 62.56 N +ATOM 8237 CA ALA D 344 37.981 39.233 43.751 1.00 62.79 C +ATOM 8238 C ALA D 344 38.413 38.303 44.898 1.00 63.10 C +ATOM 8239 O ALA D 344 38.851 38.729 45.960 1.00 62.86 O +ATOM 8240 CB ALA D 344 36.468 39.183 43.577 1.00 62.13 C +ATOM 8241 N ASP D 345 38.279 36.991 44.677 1.00 63.63 N +ATOM 8242 CA ASP D 345 38.705 35.962 45.592 1.00 63.08 C +ATOM 8243 C ASP D 345 40.047 35.349 45.230 1.00 60.73 C +ATOM 8244 O ASP D 345 39.781 34.871 44.145 1.00 60.57 O +ATOM 8245 CB ASP D 345 37.701 34.829 45.831 1.00 64.28 C +ATOM 8246 CG ASP D 345 38.234 33.756 46.775 1.00 65.04 C +ATOM 8247 OD1 ASP D 345 39.351 33.936 47.319 1.00 65.55 O +ATOM 8248 OD2 ASP D 345 37.508 32.749 46.967 1.00 64.84 O +ATOM 8249 N PRO D 346 41.121 35.982 45.633 1.00 59.28 N +ATOM 8250 CA PRO D 346 41.434 36.414 46.957 1.00 57.87 C +ATOM 8251 C PRO D 346 41.924 37.856 47.099 1.00 57.01 C +ATOM 8252 O PRO D 346 42.156 38.219 48.263 1.00 53.88 O +ATOM 8253 CB PRO D 346 42.433 35.425 47.535 1.00 57.20 C +ATOM 8254 CG PRO D 346 43.367 35.314 46.381 1.00 56.90 C +ATOM 8255 CD PRO D 346 42.438 35.442 45.215 1.00 58.27 C +ATOM 8256 N TYR D 347 42.015 38.631 45.995 1.00 57.29 N +ATOM 8257 CA TYR D 347 42.533 39.988 46.139 1.00 59.21 C +ATOM 8258 C TYR D 347 41.602 41.078 46.651 1.00 59.81 C +ATOM 8259 O TYR D 347 42.060 42.229 46.860 1.00 61.16 O +ATOM 8260 CB TYR D 347 43.398 40.415 44.940 1.00 60.27 C +ATOM 8261 CG TYR D 347 44.450 39.333 44.749 1.00 62.07 C +ATOM 8262 CD1 TYR D 347 45.724 39.338 45.286 1.00 62.52 C +ATOM 8263 CD2 TYR D 347 44.045 38.218 44.016 1.00 62.76 C +ATOM 8264 CE1 TYR D 347 46.574 38.258 45.080 1.00 62.91 C +ATOM 8265 CE2 TYR D 347 44.858 37.134 43.809 1.00 62.89 C +ATOM 8266 CZ TYR D 347 46.129 37.170 44.358 1.00 63.30 C +ATOM 8267 OH TYR D 347 46.932 36.091 44.102 1.00 63.22 O +ATOM 8268 N LEU D 348 40.391 40.856 47.156 1.00 59.33 N +ATOM 8269 CA LEU D 348 39.747 41.968 47.839 1.00 61.93 C +ATOM 8270 C LEU D 348 40.215 41.896 49.295 1.00 64.02 C +ATOM 8271 O LEU D 348 40.017 42.786 50.116 1.00 62.95 O +ATOM 8272 CB LEU D 348 38.247 42.064 47.733 1.00 61.29 C +ATOM 8273 CG LEU D 348 37.641 42.847 46.564 1.00 60.54 C +ATOM 8274 CD1 LEU D 348 38.588 43.771 45.836 1.00 59.68 C +ATOM 8275 CD2 LEU D 348 37.034 41.820 45.633 1.00 60.39 C +ATOM 8276 N LYS D 349 40.921 40.812 49.634 1.00 65.49 N +ATOM 8277 CA LYS D 349 41.432 40.662 50.991 1.00 66.50 C +ATOM 8278 C LYS D 349 42.467 41.724 51.292 1.00 66.60 C +ATOM 8279 O LYS D 349 42.608 42.104 52.455 1.00 67.82 O +ATOM 8280 CB LYS D 349 41.929 39.229 51.250 1.00 66.64 C +ATOM 8281 CG LYS D 349 40.711 38.364 51.564 1.00 66.17 C +ATOM 8282 CD LYS D 349 40.870 36.917 51.155 1.00 66.53 C +ATOM 8283 CE LYS D 349 41.618 36.092 52.182 1.00 67.24 C +ATOM 8284 NZ LYS D 349 43.083 36.317 52.180 1.00 66.02 N +ATOM 8285 N TYR D 350 43.206 42.197 50.295 1.00 67.06 N +ATOM 8286 CA TYR D 350 44.278 43.136 50.460 1.00 66.78 C +ATOM 8287 C TYR D 350 44.145 44.517 49.837 1.00 65.90 C +ATOM 8288 O TYR D 350 43.656 44.795 48.750 1.00 66.44 O +ATOM 8289 CB TYR D 350 45.587 42.543 49.860 1.00 68.21 C +ATOM 8290 CG TYR D 350 45.817 41.112 50.302 1.00 69.57 C +ATOM 8291 CD1 TYR D 350 46.142 40.808 51.624 1.00 69.75 C +ATOM 8292 CD2 TYR D 350 45.656 40.068 49.404 1.00 69.43 C +ATOM 8293 CE1 TYR D 350 46.327 39.495 52.024 1.00 69.94 C +ATOM 8294 CE2 TYR D 350 45.839 38.764 49.809 1.00 69.70 C +ATOM 8295 CZ TYR D 350 46.184 38.476 51.113 1.00 69.89 C +ATOM 8296 OH TYR D 350 46.356 37.157 51.471 1.00 69.43 O +ATOM 8297 N LEU D 351 44.747 45.420 50.600 1.00 64.09 N +ATOM 8298 CA LEU D 351 44.918 46.820 50.292 1.00 62.87 C +ATOM 8299 C LEU D 351 45.947 46.946 49.184 1.00 60.97 C +ATOM 8300 O LEU D 351 46.858 46.127 49.121 1.00 62.10 O +ATOM 8301 CB LEU D 351 45.435 47.529 51.558 1.00 62.01 C +ATOM 8302 CG LEU D 351 44.339 47.822 52.591 1.00 60.73 C +ATOM 8303 CD1 LEU D 351 44.912 48.372 53.891 1.00 61.72 C +ATOM 8304 CD2 LEU D 351 43.317 48.782 51.994 1.00 59.54 C +ATOM 8305 N PRO D 352 45.844 47.983 48.371 1.00 59.43 N +ATOM 8306 CA PRO D 352 46.770 48.214 47.271 1.00 58.20 C +ATOM 8307 C PRO D 352 48.226 48.160 47.637 1.00 57.05 C +ATOM 8308 O PRO D 352 49.022 47.570 46.909 1.00 58.79 O +ATOM 8309 CB PRO D 352 46.351 49.587 46.742 1.00 57.46 C +ATOM 8310 CG PRO D 352 44.888 49.624 47.025 1.00 58.08 C +ATOM 8311 CD PRO D 352 44.726 48.954 48.372 1.00 58.34 C +ATOM 8312 N SER D 353 48.624 48.711 48.773 1.00 55.61 N +ATOM 8313 CA SER D 353 49.991 48.792 49.255 1.00 54.50 C +ATOM 8314 C SER D 353 50.765 47.487 49.302 1.00 54.20 C +ATOM 8315 O SER D 353 51.946 47.396 48.942 1.00 52.96 O +ATOM 8316 CB SER D 353 49.926 49.460 50.640 1.00 53.30 C +ATOM 8317 OG SER D 353 48.799 48.921 51.298 1.00 52.23 O +ATOM 8318 N VAL D 354 50.074 46.440 49.658 1.00 55.03 N +ATOM 8319 CA VAL D 354 50.530 45.072 49.778 1.00 55.30 C +ATOM 8320 C VAL D 354 50.327 44.302 48.489 1.00 55.85 C +ATOM 8321 O VAL D 354 51.188 43.528 48.063 1.00 53.66 O +ATOM 8322 CB VAL D 354 49.592 44.505 50.863 1.00 55.56 C +ATOM 8323 CG1 VAL D 354 49.556 42.993 50.894 1.00 56.03 C +ATOM 8324 CG2 VAL D 354 49.955 45.128 52.202 1.00 55.74 C +ATOM 8325 N ILE D 355 49.197 44.656 47.802 1.00 56.29 N +ATOM 8326 CA ILE D 355 49.064 43.988 46.499 1.00 55.67 C +ATOM 8327 C ILE D 355 50.236 44.538 45.683 1.00 55.21 C +ATOM 8328 O ILE D 355 50.866 43.623 45.123 1.00 54.10 O +ATOM 8329 CB ILE D 355 47.790 43.918 45.707 1.00 55.83 C +ATOM 8330 CG1 ILE D 355 46.979 42.713 46.212 1.00 55.40 C +ATOM 8331 CG2 ILE D 355 48.063 43.669 44.225 1.00 55.90 C +ATOM 8332 CD1 ILE D 355 45.476 42.946 46.172 1.00 56.95 C +ATOM 8333 N ALA D 356 50.606 45.819 45.732 1.00 54.96 N +ATOM 8334 CA ALA D 356 51.851 46.029 44.960 1.00 56.48 C +ATOM 8335 C ALA D 356 52.973 45.414 45.804 1.00 58.30 C +ATOM 8336 O ALA D 356 53.829 44.725 45.252 1.00 58.61 O +ATOM 8337 CB ALA D 356 52.119 47.425 44.533 1.00 56.32 C +ATOM 8338 N GLY D 357 52.967 45.609 47.130 1.00 59.29 N +ATOM 8339 CA GLY D 357 53.971 45.027 47.998 1.00 59.90 C +ATOM 8340 C GLY D 357 54.403 43.633 47.536 1.00 60.07 C +ATOM 8341 O GLY D 357 55.504 43.387 47.074 1.00 59.32 O +ATOM 8342 N ALA D 358 53.467 42.695 47.621 1.00 61.00 N +ATOM 8343 CA ALA D 358 53.708 41.316 47.231 1.00 62.08 C +ATOM 8344 C ALA D 358 54.227 41.249 45.804 1.00 62.78 C +ATOM 8345 O ALA D 358 55.319 40.689 45.599 1.00 63.70 O +ATOM 8346 CB ALA D 358 52.507 40.426 47.513 1.00 61.97 C +ATOM 8347 N ALA D 359 53.540 41.847 44.840 1.00 63.56 N +ATOM 8348 CA ALA D 359 54.060 41.839 43.475 1.00 64.39 C +ATOM 8349 C ALA D 359 55.448 42.453 43.516 1.00 65.16 C +ATOM 8350 O ALA D 359 56.313 41.807 42.894 1.00 67.45 O +ATOM 8351 CB ALA D 359 53.136 42.551 42.521 1.00 64.60 C +ATOM 8352 N PHE D 360 55.771 43.541 44.210 1.00 64.42 N +ATOM 8353 CA PHE D 360 57.133 43.984 44.177 1.00 65.27 C +ATOM 8354 C PHE D 360 58.208 42.867 44.283 1.00 65.90 C +ATOM 8355 O PHE D 360 59.193 42.687 43.568 1.00 66.03 O +ATOM 8356 CB PHE D 360 57.623 44.982 45.240 1.00 63.33 C +ATOM 8357 CG PHE D 360 58.741 45.738 44.530 1.00 60.98 C +ATOM 8358 CD1 PHE D 360 58.815 45.756 43.138 1.00 60.99 C +ATOM 8359 CD2 PHE D 360 59.671 46.450 45.232 1.00 60.30 C +ATOM 8360 CE1 PHE D 360 59.798 46.441 42.487 1.00 61.04 C +ATOM 8361 CE2 PHE D 360 60.657 47.168 44.605 1.00 59.82 C +ATOM 8362 CZ PHE D 360 60.714 47.155 43.236 1.00 59.68 C +ATOM 8363 N HIS D 361 57.982 42.268 45.440 1.00 66.72 N +ATOM 8364 CA HIS D 361 58.813 41.189 45.886 1.00 67.03 C +ATOM 8365 C HIS D 361 58.778 40.049 44.892 1.00 67.07 C +ATOM 8366 O HIS D 361 59.805 39.815 44.232 1.00 67.17 O +ATOM 8367 CB HIS D 361 58.294 40.898 47.319 1.00 67.28 C +ATOM 8368 CG HIS D 361 59.266 39.780 47.598 1.00 68.32 C +ATOM 8369 ND1 HIS D 361 60.625 40.032 47.497 1.00 68.63 N +ATOM 8370 CD2 HIS D 361 59.062 38.467 47.775 1.00 68.72 C +ATOM 8371 CE1 HIS D 361 61.233 38.880 47.672 1.00 69.14 C +ATOM 8372 NE2 HIS D 361 60.323 37.935 47.857 1.00 69.16 N +ATOM 8373 N LEU D 362 57.620 39.416 44.689 1.00 66.92 N +ATOM 8374 CA LEU D 362 57.463 38.372 43.674 1.00 67.25 C +ATOM 8375 C LEU D 362 58.180 38.780 42.386 1.00 66.95 C +ATOM 8376 O LEU D 362 59.005 37.965 41.931 1.00 67.82 O +ATOM 8377 CB LEU D 362 55.995 38.029 43.438 1.00 66.26 C +ATOM 8378 CG LEU D 362 55.579 36.773 42.687 1.00 65.26 C +ATOM 8379 CD1 LEU D 362 56.388 35.568 43.162 1.00 66.39 C +ATOM 8380 CD2 LEU D 362 54.079 36.476 42.845 1.00 65.26 C +ATOM 8381 N ALA D 363 58.023 39.980 41.820 1.00 66.31 N +ATOM 8382 CA ALA D 363 58.795 40.305 40.635 1.00 66.53 C +ATOM 8383 C ALA D 363 60.304 40.270 40.878 1.00 66.56 C +ATOM 8384 O ALA D 363 61.031 39.655 40.115 1.00 66.18 O +ATOM 8385 CB ALA D 363 58.481 41.659 40.024 1.00 65.34 C +ATOM 8386 N LEU D 364 60.783 40.961 41.891 1.00 68.27 N +ATOM 8387 CA LEU D 364 62.217 41.130 42.080 1.00 70.14 C +ATOM 8388 C LEU D 364 63.018 39.845 42.019 1.00 70.52 C +ATOM 8389 O LEU D 364 63.791 39.459 41.156 1.00 70.02 O +ATOM 8390 CB LEU D 364 62.427 41.977 43.362 1.00 69.71 C +ATOM 8391 CG LEU D 364 63.644 42.888 43.041 1.00 69.41 C +ATOM 8392 CD1 LEU D 364 63.682 44.212 43.762 1.00 70.32 C +ATOM 8393 CD2 LEU D 364 64.845 42.024 43.336 1.00 69.83 C +ATOM 8394 N TYR D 365 62.756 39.101 43.065 1.00 72.71 N +ATOM 8395 CA TYR D 365 63.187 37.803 43.457 1.00 74.20 C +ATOM 8396 C TYR D 365 62.892 36.735 42.429 1.00 73.65 C +ATOM 8397 O TYR D 365 63.531 35.673 42.578 1.00 74.47 O +ATOM 8398 CB TYR D 365 62.502 37.582 44.834 1.00 77.27 C +ATOM 8399 CG TYR D 365 62.499 36.112 45.186 1.00 80.04 C +ATOM 8400 CD1 TYR D 365 63.537 35.498 45.857 1.00 81.26 C +ATOM 8401 CD2 TYR D 365 61.427 35.352 44.743 1.00 81.41 C +ATOM 8402 CE1 TYR D 365 63.496 34.137 46.099 1.00 83.01 C +ATOM 8403 CE2 TYR D 365 61.380 33.994 44.968 1.00 83.08 C +ATOM 8404 CZ TYR D 365 62.420 33.402 45.651 1.00 83.84 C +ATOM 8405 OH TYR D 365 62.349 32.047 45.860 1.00 84.84 O +ATOM 8406 N THR D 366 62.005 36.859 41.448 1.00 73.50 N +ATOM 8407 CA THR D 366 61.829 35.881 40.384 1.00 73.69 C +ATOM 8408 C THR D 366 62.884 36.250 39.316 1.00 74.60 C +ATOM 8409 O THR D 366 63.707 35.421 38.962 1.00 75.04 O +ATOM 8410 CB THR D 366 60.551 35.875 39.528 1.00 73.61 C +ATOM 8411 OG1 THR D 366 59.408 35.648 40.363 1.00 74.77 O +ATOM 8412 CG2 THR D 366 60.514 34.848 38.390 1.00 73.17 C +ATOM 8413 N VAL D 367 62.725 37.472 38.811 1.00 74.85 N +ATOM 8414 CA VAL D 367 63.578 38.057 37.793 1.00 75.28 C +ATOM 8415 C VAL D 367 65.065 37.906 38.113 1.00 76.27 C +ATOM 8416 O VAL D 367 65.847 37.453 37.274 1.00 76.63 O +ATOM 8417 CB VAL D 367 63.329 39.578 37.652 1.00 74.65 C +ATOM 8418 CG1 VAL D 367 64.370 40.310 36.822 1.00 74.35 C +ATOM 8419 CG2 VAL D 367 61.940 39.850 37.087 1.00 74.16 C +ATOM 8420 N THR D 368 65.423 38.399 39.298 1.00 76.84 N +ATOM 8421 CA THR D 368 66.753 38.532 39.822 1.00 77.04 C +ATOM 8422 C THR D 368 66.950 38.250 41.306 1.00 77.14 C +ATOM 8423 O THR D 368 67.524 39.080 42.044 1.00 76.96 O +ATOM 8424 CB THR D 368 67.183 40.034 39.749 1.00 77.12 C +ATOM 8425 OG1 THR D 368 66.204 40.763 40.524 1.00 77.86 O +ATOM 8426 CG2 THR D 368 67.325 40.581 38.359 1.00 76.68 C +ATOM 8427 N GLY D 369 66.509 37.126 41.838 1.00 77.35 N +ATOM 8428 CA GLY D 369 66.611 36.711 43.198 1.00 77.26 C +ATOM 8429 C GLY D 369 66.632 37.602 44.401 1.00 77.26 C +ATOM 8430 O GLY D 369 66.415 37.063 45.509 1.00 77.94 O +ATOM 8431 N GLN D 370 66.816 38.908 44.344 1.00 76.82 N +ATOM 8432 CA GLN D 370 66.915 39.859 45.433 1.00 75.82 C +ATOM 8433 C GLN D 370 65.628 39.961 46.239 1.00 74.77 C +ATOM 8434 O GLN D 370 64.747 39.157 45.883 1.00 74.69 O +ATOM 8435 CB GLN D 370 67.370 41.226 44.949 1.00 76.63 C +ATOM 8436 CG GLN D 370 68.145 41.428 43.679 1.00 76.87 C +ATOM 8437 CD GLN D 370 67.833 42.761 43.017 1.00 77.33 C +ATOM 8438 OE1 GLN D 370 67.989 43.801 43.654 1.00 78.25 O +ATOM 8439 NE2 GLN D 370 67.358 42.701 41.774 1.00 77.32 N +ATOM 8440 N SER D 371 65.453 40.803 47.265 1.00 73.04 N +ATOM 8441 CA SER D 371 64.135 40.645 47.910 1.00 71.54 C +ATOM 8442 C SER D 371 63.401 41.905 48.257 1.00 70.39 C +ATOM 8443 O SER D 371 64.046 42.939 48.133 1.00 69.81 O +ATOM 8444 CB SER D 371 64.261 39.771 49.172 1.00 71.56 C +ATOM 8445 OG SER D 371 64.031 38.430 48.771 1.00 70.85 O +ATOM 8446 N TRP D 372 62.143 41.786 48.673 1.00 69.35 N +ATOM 8447 CA TRP D 372 61.425 42.986 49.140 1.00 68.98 C +ATOM 8448 C TRP D 372 62.432 43.910 49.781 1.00 68.56 C +ATOM 8449 O TRP D 372 62.746 43.681 50.963 1.00 70.56 O +ATOM 8450 CB TRP D 372 60.455 42.447 50.219 1.00 68.97 C +ATOM 8451 CG TRP D 372 59.827 43.459 51.124 1.00 69.09 C +ATOM 8452 CD1 TRP D 372 60.038 43.685 52.460 1.00 68.99 C +ATOM 8453 CD2 TRP D 372 58.833 44.406 50.714 1.00 68.89 C +ATOM 8454 NE1 TRP D 372 59.253 44.730 52.888 1.00 69.34 N +ATOM 8455 CE2 TRP D 372 58.506 45.201 51.835 1.00 69.23 C +ATOM 8456 CE3 TRP D 372 58.235 44.690 49.474 1.00 68.75 C +ATOM 8457 CZ2 TRP D 372 57.576 46.232 51.754 1.00 68.43 C +ATOM 8458 CZ3 TRP D 372 57.312 45.706 49.391 1.00 68.51 C +ATOM 8459 CH2 TRP D 372 56.999 46.458 50.539 1.00 68.84 C +ATOM 8460 N PRO D 373 62.931 44.964 49.158 1.00 67.55 N +ATOM 8461 CA PRO D 373 63.923 45.786 49.824 1.00 66.92 C +ATOM 8462 C PRO D 373 63.666 46.155 51.270 1.00 67.39 C +ATOM 8463 O PRO D 373 62.680 46.132 52.004 1.00 67.27 O +ATOM 8464 CB PRO D 373 64.036 46.998 48.920 1.00 67.44 C +ATOM 8465 CG PRO D 373 63.823 46.408 47.565 1.00 67.49 C +ATOM 8466 CD PRO D 373 62.700 45.398 47.768 1.00 67.42 C +ATOM 8467 N GLU D 374 64.814 46.552 51.804 1.00 68.06 N +ATOM 8468 CA GLU D 374 65.080 46.985 53.170 1.00 66.65 C +ATOM 8469 C GLU D 374 64.603 48.420 53.290 1.00 65.88 C +ATOM 8470 O GLU D 374 63.701 48.770 54.049 1.00 65.36 O +ATOM 8471 CB GLU D 374 66.591 46.826 53.367 1.00 66.67 C +ATOM 8472 CG GLU D 374 67.064 46.815 54.802 1.00 66.39 C +ATOM 8473 CD GLU D 374 66.248 45.928 55.729 1.00 65.81 C +ATOM 8474 OE1 GLU D 374 66.248 44.683 55.582 1.00 65.80 O +ATOM 8475 OE2 GLU D 374 65.596 46.523 56.617 1.00 65.15 O +ATOM 8476 N SER D 375 65.152 49.247 52.388 1.00 64.63 N +ATOM 8477 CA SER D 375 64.652 50.613 52.274 1.00 63.64 C +ATOM 8478 C SER D 375 63.115 50.587 52.193 1.00 63.77 C +ATOM 8479 O SER D 375 62.456 51.348 52.910 1.00 63.20 O +ATOM 8480 CB SER D 375 65.140 51.162 50.928 1.00 62.56 C +ATOM 8481 OG SER D 375 64.658 50.173 50.004 1.00 60.98 O +ATOM 8482 N LEU D 376 62.528 49.726 51.337 1.00 63.91 N +ATOM 8483 CA LEU D 376 61.066 49.694 51.209 1.00 63.66 C +ATOM 8484 C LEU D 376 60.405 49.271 52.527 1.00 63.33 C +ATOM 8485 O LEU D 376 59.435 49.924 52.969 1.00 63.49 O +ATOM 8486 CB LEU D 376 60.515 48.851 50.117 1.00 64.17 C +ATOM 8487 CG LEU D 376 60.286 48.988 48.643 1.00 64.08 C +ATOM 8488 CD1 LEU D 376 59.491 47.831 48.054 1.00 63.47 C +ATOM 8489 CD2 LEU D 376 59.424 50.229 48.373 1.00 64.48 C +ATOM 8490 N ILE D 377 60.972 48.279 53.208 1.00 62.40 N +ATOM 8491 CA ILE D 377 60.542 47.945 54.558 1.00 61.88 C +ATOM 8492 C ILE D 377 60.528 49.228 55.400 1.00 63.06 C +ATOM 8493 O ILE D 377 59.696 49.245 56.317 1.00 63.13 O +ATOM 8494 CB ILE D 377 61.546 46.980 55.204 1.00 61.08 C +ATOM 8495 CG1 ILE D 377 60.921 45.790 55.935 1.00 60.56 C +ATOM 8496 CG2 ILE D 377 62.452 47.579 56.282 1.00 59.25 C +ATOM 8497 CD1 ILE D 377 61.774 44.549 55.779 1.00 60.79 C +ATOM 8498 N ARG D 378 61.427 50.222 55.246 1.00 64.87 N +ATOM 8499 CA ARG D 378 61.297 51.334 56.193 1.00 67.49 C +ATOM 8500 C ARG D 378 60.203 52.294 55.794 1.00 67.31 C +ATOM 8501 O ARG D 378 59.618 52.876 56.720 1.00 67.44 O +ATOM 8502 CB ARG D 378 62.654 51.929 56.543 1.00 69.54 C +ATOM 8503 CG ARG D 378 63.626 50.902 57.143 1.00 71.73 C +ATOM 8504 CD ARG D 378 65.035 51.416 57.220 1.00 74.79 C +ATOM 8505 NE ARG D 378 65.797 51.640 56.019 1.00 75.81 N +ATOM 8506 CZ ARG D 378 65.668 52.267 54.867 1.00 75.96 C +ATOM 8507 NH1 ARG D 378 66.716 52.207 54.035 1.00 76.44 N +ATOM 8508 NH2 ARG D 378 64.591 52.915 54.435 1.00 75.39 N +ATOM 8509 N LYS D 379 59.848 52.434 54.511 1.00 67.14 N +ATOM 8510 CA LYS D 379 58.750 53.320 54.104 1.00 66.41 C +ATOM 8511 C LYS D 379 57.442 52.596 54.445 1.00 65.01 C +ATOM 8512 O LYS D 379 56.671 53.071 55.283 1.00 64.46 O +ATOM 8513 CB LYS D 379 58.761 53.682 52.634 1.00 65.97 C +ATOM 8514 CG LYS D 379 57.547 54.064 51.817 1.00 65.76 C +ATOM 8515 CD LYS D 379 57.920 54.314 50.344 1.00 65.04 C +ATOM 8516 CE LYS D 379 58.458 55.720 50.138 1.00 63.10 C +ATOM 8517 NZ LYS D 379 57.680 56.772 50.845 1.00 61.53 N +ATOM 8518 N THR D 380 57.319 51.445 53.769 1.00 63.33 N +ATOM 8519 CA THR D 380 56.114 50.664 53.960 1.00 61.99 C +ATOM 8520 C THR D 380 56.056 50.061 55.348 1.00 62.46 C +ATOM 8521 O THR D 380 54.920 49.755 55.742 1.00 61.95 O +ATOM 8522 CB THR D 380 55.890 49.489 52.983 1.00 61.01 C +ATOM 8523 OG1 THR D 380 56.443 48.311 53.554 1.00 59.14 O +ATOM 8524 CG2 THR D 380 56.474 49.781 51.608 1.00 60.72 C +ATOM 8525 N GLY D 381 57.176 49.651 55.952 1.00 62.35 N +ATOM 8526 CA GLY D 381 57.065 48.983 57.249 1.00 63.43 C +ATOM 8527 C GLY D 381 56.458 47.603 57.026 1.00 65.47 C +ATOM 8528 O GLY D 381 55.968 46.964 57.960 1.00 66.23 O +ATOM 8529 N TYR D 382 56.401 47.152 55.788 1.00 66.62 N +ATOM 8530 CA TYR D 382 55.859 45.848 55.458 1.00 68.36 C +ATOM 8531 C TYR D 382 57.162 45.043 55.352 1.00 69.07 C +ATOM 8532 O TYR D 382 58.215 45.670 55.295 1.00 68.76 O +ATOM 8533 CB TYR D 382 55.054 45.722 54.192 1.00 68.74 C +ATOM 8534 CG TYR D 382 53.684 46.341 54.192 1.00 68.41 C +ATOM 8535 CD1 TYR D 382 52.783 46.135 55.235 1.00 68.80 C +ATOM 8536 CD2 TYR D 382 53.298 47.116 53.092 1.00 69.07 C +ATOM 8537 CE1 TYR D 382 51.522 46.704 55.174 1.00 69.53 C +ATOM 8538 CE2 TYR D 382 52.042 47.697 53.018 1.00 69.14 C +ATOM 8539 CZ TYR D 382 51.171 47.472 54.067 1.00 69.27 C +ATOM 8540 OH TYR D 382 49.898 48.022 54.089 1.00 70.05 O +ATOM 8541 N THR D 383 57.012 43.743 55.409 1.00 70.37 N +ATOM 8542 CA THR D 383 58.158 42.862 55.426 1.00 72.02 C +ATOM 8543 C THR D 383 57.757 41.471 54.931 1.00 73.15 C +ATOM 8544 O THR D 383 56.583 41.196 54.696 1.00 73.55 O +ATOM 8545 CB THR D 383 58.517 42.518 56.894 1.00 71.99 C +ATOM 8546 OG1 THR D 383 57.268 42.074 57.480 1.00 72.87 O +ATOM 8547 CG2 THR D 383 59.128 43.589 57.752 1.00 72.07 C +ATOM 8548 N LEU D 384 58.709 40.552 55.116 1.00 74.43 N +ATOM 8549 CA LEU D 384 58.374 39.186 54.696 1.00 75.53 C +ATOM 8550 C LEU D 384 57.271 38.558 55.514 1.00 76.78 C +ATOM 8551 O LEU D 384 56.492 37.801 54.902 1.00 75.66 O +ATOM 8552 CB LEU D 384 59.647 38.404 54.398 1.00 75.57 C +ATOM 8553 CG LEU D 384 60.184 38.697 52.982 1.00 75.44 C +ATOM 8554 CD1 LEU D 384 60.640 40.144 52.848 1.00 75.07 C +ATOM 8555 CD2 LEU D 384 61.336 37.785 52.604 1.00 75.23 C +ATOM 8556 N GLU D 385 57.055 38.897 56.784 1.00 78.56 N +ATOM 8557 CA GLU D 385 55.903 38.319 57.479 1.00 80.26 C +ATOM 8558 C GLU D 385 54.670 39.142 57.091 1.00 80.06 C +ATOM 8559 O GLU D 385 53.571 38.588 57.075 1.00 80.19 O +ATOM 8560 CB GLU D 385 56.053 38.198 58.986 1.00 81.45 C +ATOM 8561 CG GLU D 385 55.088 37.270 59.692 1.00 82.82 C +ATOM 8562 CD GLU D 385 55.638 35.992 60.278 1.00 83.97 C +ATOM 8563 OE1 GLU D 385 55.326 35.846 61.488 1.00 83.50 O +ATOM 8564 OE2 GLU D 385 56.314 35.164 59.622 1.00 84.75 O +ATOM 8565 N SER D 386 54.845 40.418 56.750 1.00 79.02 N +ATOM 8566 CA SER D 386 53.692 41.212 56.337 1.00 77.34 C +ATOM 8567 C SER D 386 53.092 40.570 55.090 1.00 76.37 C +ATOM 8568 O SER D 386 51.987 40.041 55.088 1.00 76.26 O +ATOM 8569 CB SER D 386 54.105 42.643 55.999 1.00 77.96 C +ATOM 8570 OG SER D 386 55.129 43.055 56.894 1.00 77.55 O +ATOM 8571 N LEU D 387 53.896 40.522 54.039 1.00 74.69 N +ATOM 8572 CA LEU D 387 53.504 40.080 52.716 1.00 72.81 C +ATOM 8573 C LEU D 387 53.188 38.630 52.431 1.00 73.20 C +ATOM 8574 O LEU D 387 52.557 38.285 51.423 1.00 72.51 O +ATOM 8575 CB LEU D 387 54.598 40.673 51.785 1.00 72.05 C +ATOM 8576 CG LEU D 387 54.906 42.137 52.156 1.00 71.87 C +ATOM 8577 CD1 LEU D 387 55.901 42.753 51.196 1.00 70.91 C +ATOM 8578 CD2 LEU D 387 53.635 42.975 52.181 1.00 71.14 C +ATOM 8579 N LYS D 388 53.452 37.728 53.355 1.00 73.20 N +ATOM 8580 CA LYS D 388 53.245 36.318 53.263 1.00 72.80 C +ATOM 8581 C LYS D 388 51.913 35.864 52.723 1.00 72.35 C +ATOM 8582 O LYS D 388 51.911 35.145 51.717 1.00 73.14 O +ATOM 8583 CB LYS D 388 53.516 35.576 54.597 1.00 74.03 C +ATOM 8584 CG LYS D 388 53.476 34.072 54.331 1.00 75.25 C +ATOM 8585 CD LYS D 388 54.425 33.294 55.222 1.00 76.37 C +ATOM 8586 CE LYS D 388 54.296 31.786 55.015 1.00 77.56 C +ATOM 8587 NZ LYS D 388 55.243 31.062 55.916 1.00 77.23 N +ATOM 8588 N PRO D 389 50.806 36.148 53.366 1.00 71.43 N +ATOM 8589 CA PRO D 389 49.532 35.642 52.875 1.00 70.84 C +ATOM 8590 C PRO D 389 49.386 35.927 51.399 1.00 70.71 C +ATOM 8591 O PRO D 389 49.252 35.038 50.556 1.00 71.05 O +ATOM 8592 CB PRO D 389 48.513 36.331 53.773 1.00 70.98 C +ATOM 8593 CG PRO D 389 49.256 36.518 55.066 1.00 71.38 C +ATOM 8594 CD PRO D 389 50.660 36.915 54.619 1.00 71.51 C +ATOM 8595 N CYS D 390 49.407 37.216 51.084 1.00 69.93 N +ATOM 8596 CA CYS D 390 49.203 37.799 49.775 1.00 68.40 C +ATOM 8597 C CYS D 390 50.110 37.206 48.713 1.00 67.44 C +ATOM 8598 O CYS D 390 49.658 36.753 47.656 1.00 65.91 O +ATOM 8599 CB CYS D 390 49.297 39.314 49.954 1.00 68.54 C +ATOM 8600 SG CYS D 390 49.044 40.338 48.496 1.00 69.18 S +ATOM 8601 N LEU D 391 51.398 37.184 49.012 1.00 67.54 N +ATOM 8602 CA LEU D 391 52.481 36.615 48.192 1.00 66.77 C +ATOM 8603 C LEU D 391 52.117 35.154 47.908 1.00 65.11 C +ATOM 8604 O LEU D 391 51.827 34.713 46.792 1.00 63.29 O +ATOM 8605 CB LEU D 391 53.734 36.698 49.025 1.00 66.91 C +ATOM 8606 CG LEU D 391 55.162 37.012 48.678 1.00 66.38 C +ATOM 8607 CD1 LEU D 391 55.322 38.151 47.675 1.00 66.90 C +ATOM 8608 CD2 LEU D 391 55.970 37.373 49.932 1.00 66.64 C +ATOM 8609 N MET D 392 51.978 34.441 49.036 1.00 65.21 N +ATOM 8610 CA MET D 392 51.508 33.064 49.040 1.00 65.80 C +ATOM 8611 C MET D 392 50.246 32.957 48.182 1.00 64.45 C +ATOM 8612 O MET D 392 50.119 31.959 47.469 1.00 64.75 O +ATOM 8613 CB MET D 392 51.253 32.481 50.424 1.00 67.33 C +ATOM 8614 CG MET D 392 52.397 31.707 51.058 1.00 68.95 C +ATOM 8615 SD MET D 392 53.544 31.105 49.785 1.00 70.29 S +ATOM 8616 CE MET D 392 54.861 32.295 50.040 1.00 70.21 C +ATOM 8617 N ASP D 393 49.343 33.933 48.248 1.00 64.01 N +ATOM 8618 CA ASP D 393 48.189 33.970 47.376 1.00 63.33 C +ATOM 8619 C ASP D 393 48.527 34.256 45.923 1.00 62.04 C +ATOM 8620 O ASP D 393 47.990 33.590 45.028 1.00 62.85 O +ATOM 8621 CB ASP D 393 47.141 34.997 47.841 1.00 63.23 C +ATOM 8622 CG ASP D 393 46.002 34.190 48.468 1.00 63.24 C +ATOM 8623 OD1 ASP D 393 45.713 33.094 47.936 1.00 62.69 O +ATOM 8624 OD2 ASP D 393 45.445 34.668 49.475 1.00 63.20 O +ATOM 8625 N LEU D 394 49.350 35.265 45.635 1.00 59.48 N +ATOM 8626 CA LEU D 394 49.711 35.670 44.304 1.00 57.61 C +ATOM 8627 C LEU D 394 50.493 34.670 43.472 1.00 61.44 C +ATOM 8628 O LEU D 394 50.469 34.595 42.246 1.00 62.13 O +ATOM 8629 CB LEU D 394 50.611 36.898 44.473 1.00 53.26 C +ATOM 8630 CG LEU D 394 50.873 37.722 43.216 1.00 51.98 C +ATOM 8631 CD1 LEU D 394 49.592 38.031 42.428 1.00 51.70 C +ATOM 8632 CD2 LEU D 394 51.571 39.022 43.579 1.00 50.74 C +ATOM 8633 N HIS D 395 51.381 33.964 44.163 1.00 65.19 N +ATOM 8634 CA HIS D 395 52.316 33.031 43.557 1.00 67.59 C +ATOM 8635 C HIS D 395 51.583 31.909 42.870 1.00 68.28 C +ATOM 8636 O HIS D 395 51.574 31.803 41.623 1.00 67.96 O +ATOM 8637 CB HIS D 395 53.241 32.719 44.744 1.00 69.35 C +ATOM 8638 CG HIS D 395 54.201 31.696 44.208 1.00 70.97 C +ATOM 8639 ND1 HIS D 395 55.325 32.040 43.501 1.00 72.22 N +ATOM 8640 CD2 HIS D 395 54.125 30.346 44.256 1.00 71.26 C +ATOM 8641 CE1 HIS D 395 55.938 30.912 43.147 1.00 71.65 C +ATOM 8642 NE2 HIS D 395 55.239 29.885 43.596 1.00 70.95 N +ATOM 8643 N GLN D 396 50.755 31.163 43.601 1.00 68.82 N +ATOM 8644 CA GLN D 396 49.830 30.193 43.024 1.00 69.86 C +ATOM 8645 C GLN D 396 49.030 30.861 41.903 1.00 70.77 C +ATOM 8646 O GLN D 396 48.699 30.161 40.933 1.00 71.39 O +ATOM 8647 CB GLN D 396 48.899 29.649 44.092 1.00 70.73 C +ATOM 8648 CG GLN D 396 49.257 28.390 44.842 1.00 71.65 C +ATOM 8649 CD GLN D 396 50.656 27.856 44.646 1.00 72.33 C +ATOM 8650 OE1 GLN D 396 51.661 28.444 45.081 1.00 73.07 O +ATOM 8651 NE2 GLN D 396 50.704 26.721 43.949 1.00 72.24 N +ATOM 8652 N THR D 397 48.721 32.153 41.946 1.00 70.29 N +ATOM 8653 CA THR D 397 48.098 32.918 40.882 1.00 69.64 C +ATOM 8654 C THR D 397 49.071 33.154 39.727 1.00 69.68 C +ATOM 8655 O THR D 397 48.576 33.134 38.595 1.00 69.71 O +ATOM 8656 CB THR D 397 47.467 34.255 41.333 1.00 69.16 C +ATOM 8657 OG1 THR D 397 46.705 34.047 42.537 1.00 69.48 O +ATOM 8658 CG2 THR D 397 46.489 34.810 40.317 1.00 68.03 C +ATOM 8659 N TYR D 398 50.379 33.344 39.871 1.00 70.35 N +ATOM 8660 CA TYR D 398 51.250 33.466 38.686 1.00 70.99 C +ATOM 8661 C TYR D 398 51.293 32.056 38.077 1.00 71.10 C +ATOM 8662 O TYR D 398 51.159 31.763 36.898 1.00 70.49 O +ATOM 8663 CB TYR D 398 52.654 33.884 39.014 1.00 71.22 C +ATOM 8664 CG TYR D 398 53.720 34.423 38.117 1.00 71.14 C +ATOM 8665 CD1 TYR D 398 53.746 34.459 36.733 1.00 71.09 C +ATOM 8666 CD2 TYR D 398 54.858 34.897 38.787 1.00 71.03 C +ATOM 8667 CE1 TYR D 398 54.836 34.984 36.049 1.00 71.46 C +ATOM 8668 CE2 TYR D 398 55.945 35.428 38.113 1.00 71.30 C +ATOM 8669 CZ TYR D 398 55.922 35.461 36.738 1.00 71.19 C +ATOM 8670 OH TYR D 398 57.019 35.980 36.097 1.00 72.05 O +ATOM 8671 N LEU D 399 51.517 31.096 38.971 1.00 72.57 N +ATOM 8672 CA LEU D 399 51.619 29.685 38.660 1.00 74.12 C +ATOM 8673 C LEU D 399 50.437 29.063 37.937 1.00 74.30 C +ATOM 8674 O LEU D 399 50.570 27.882 37.542 1.00 74.99 O +ATOM 8675 CB LEU D 399 51.999 28.914 39.932 1.00 74.32 C +ATOM 8676 CG LEU D 399 53.264 29.202 40.741 1.00 73.80 C +ATOM 8677 CD1 LEU D 399 53.373 28.155 41.854 1.00 73.61 C +ATOM 8678 CD2 LEU D 399 54.532 29.162 39.910 1.00 74.46 C +ATOM 8679 N LYS D 400 49.275 29.646 37.664 1.00 74.78 N +ATOM 8680 CA LYS D 400 48.166 29.040 36.943 1.00 74.88 C +ATOM 8681 C LYS D 400 47.573 29.972 35.880 1.00 74.62 C +ATOM 8682 O LYS D 400 46.742 29.678 35.023 1.00 74.60 O +ATOM 8683 CB LYS D 400 47.061 28.499 37.850 1.00 74.95 C +ATOM 8684 CG LYS D 400 47.514 27.302 38.682 1.00 75.17 C +ATOM 8685 CD LYS D 400 46.470 26.776 39.631 1.00 75.42 C +ATOM 8686 CE LYS D 400 46.195 27.715 40.791 1.00 75.03 C +ATOM 8687 NZ LYS D 400 47.175 27.507 41.886 1.00 74.11 N +ATOM 8688 N ALA D 401 48.314 31.082 35.778 1.00 74.77 N +ATOM 8689 CA ALA D 401 48.179 32.154 34.809 1.00 75.78 C +ATOM 8690 C ALA D 401 48.265 31.483 33.444 1.00 76.79 C +ATOM 8691 O ALA D 401 47.377 31.638 32.605 1.00 77.64 O +ATOM 8692 CB ALA D 401 49.252 33.206 34.978 1.00 75.32 C +ATOM 8693 N PRO D 402 49.272 30.630 33.283 1.00 76.59 N +ATOM 8694 CA PRO D 402 49.342 29.807 32.094 1.00 76.65 C +ATOM 8695 C PRO D 402 47.931 29.402 31.689 1.00 76.38 C +ATOM 8696 O PRO D 402 47.472 29.920 30.677 1.00 75.90 O +ATOM 8697 CB PRO D 402 50.141 28.591 32.531 1.00 76.51 C +ATOM 8698 CG PRO D 402 50.814 28.938 33.801 1.00 77.09 C +ATOM 8699 CD PRO D 402 50.409 30.335 34.182 1.00 76.76 C +ATOM 8700 N GLN D 403 47.226 28.597 32.470 1.00 76.18 N +ATOM 8701 CA GLN D 403 45.913 28.099 32.108 1.00 76.10 C +ATOM 8702 C GLN D 403 44.682 28.892 32.532 1.00 75.19 C +ATOM 8703 O GLN D 403 43.571 28.386 32.288 1.00 74.72 O +ATOM 8704 CB GLN D 403 45.649 26.736 32.774 1.00 77.34 C +ATOM 8705 CG GLN D 403 46.472 25.499 32.763 1.00 78.23 C +ATOM 8706 CD GLN D 403 47.860 25.669 33.342 1.00 78.89 C +ATOM 8707 OE1 GLN D 403 48.857 25.249 32.753 1.00 79.67 O +ATOM 8708 NE2 GLN D 403 47.950 26.308 34.510 1.00 79.57 N +ATOM 8709 N HIS D 404 44.793 29.980 33.278 1.00 73.31 N +ATOM 8710 CA HIS D 404 43.578 30.608 33.821 1.00 70.15 C +ATOM 8711 C HIS D 404 42.589 30.993 32.755 1.00 68.09 C +ATOM 8712 O HIS D 404 42.993 31.583 31.750 1.00 67.53 O +ATOM 8713 CB HIS D 404 44.000 31.762 34.729 1.00 70.06 C +ATOM 8714 CG HIS D 404 42.881 32.600 35.254 1.00 70.52 C +ATOM 8715 ND1 HIS D 404 41.887 33.110 34.454 1.00 70.84 N +ATOM 8716 CD2 HIS D 404 42.595 33.055 36.499 1.00 70.77 C +ATOM 8717 CE1 HIS D 404 41.039 33.811 35.168 1.00 71.10 C +ATOM 8718 NE2 HIS D 404 41.456 33.800 36.427 1.00 70.73 N +ATOM 8719 N ALA D 405 41.280 30.864 32.973 1.00 65.95 N +ATOM 8720 CA ALA D 405 40.243 31.229 32.028 1.00 63.83 C +ATOM 8721 C ALA D 405 40.278 32.607 31.395 1.00 62.15 C +ATOM 8722 O ALA D 405 39.512 32.826 30.446 1.00 62.46 O +ATOM 8723 CB ALA D 405 38.844 31.094 32.654 1.00 63.74 C +ATOM 8724 N GLN D 406 41.003 33.574 31.891 1.00 60.29 N +ATOM 8725 CA GLN D 406 41.135 34.907 31.361 1.00 58.84 C +ATOM 8726 C GLN D 406 42.586 35.090 30.911 1.00 59.86 C +ATOM 8727 O GLN D 406 43.488 34.883 31.730 1.00 59.93 O +ATOM 8728 CB GLN D 406 40.881 35.977 32.409 1.00 56.75 C +ATOM 8729 CG GLN D 406 39.659 36.188 33.205 1.00 53.33 C +ATOM 8730 CD GLN D 406 38.424 35.376 32.887 1.00 53.48 C +ATOM 8731 OE1 GLN D 406 38.012 34.583 33.773 1.00 53.73 O +ATOM 8732 NE2 GLN D 406 37.846 35.561 31.703 1.00 49.63 N +ATOM 8733 N GLN D 407 42.808 35.602 29.713 1.00 60.35 N +ATOM 8734 CA GLN D 407 44.124 35.779 29.144 1.00 60.40 C +ATOM 8735 C GLN D 407 44.436 37.111 28.495 1.00 61.37 C +ATOM 8736 O GLN D 407 45.403 37.195 27.700 1.00 62.88 O +ATOM 8737 CB GLN D 407 44.248 34.829 27.924 1.00 60.00 C +ATOM 8738 CG GLN D 407 44.333 33.340 28.162 1.00 58.97 C +ATOM 8739 CD GLN D 407 45.270 33.046 29.320 1.00 58.42 C +ATOM 8740 OE1 GLN D 407 46.413 33.502 29.319 1.00 58.36 O +ATOM 8741 NE2 GLN D 407 44.750 32.358 30.316 1.00 58.17 N +ATOM 8742 N SER D 408 43.601 38.110 28.736 1.00 61.20 N +ATOM 8743 CA SER D 408 43.920 39.382 28.066 1.00 61.30 C +ATOM 8744 C SER D 408 45.218 39.899 28.652 1.00 61.44 C +ATOM 8745 O SER D 408 46.051 40.384 27.884 1.00 61.04 O +ATOM 8746 CB SER D 408 42.718 40.316 28.140 1.00 61.23 C +ATOM 8747 OG SER D 408 41.505 39.595 27.934 1.00 60.23 O +ATOM 8748 N ILE D 409 45.485 39.791 29.953 1.00 62.73 N +ATOM 8749 CA ILE D 409 46.741 40.320 30.492 1.00 65.06 C +ATOM 8750 C ILE D 409 47.973 39.551 30.011 1.00 66.19 C +ATOM 8751 O ILE D 409 48.914 40.163 29.442 1.00 64.91 O +ATOM 8752 CB ILE D 409 46.693 40.573 32.000 1.00 65.35 C +ATOM 8753 CG1 ILE D 409 45.527 41.495 32.424 1.00 64.09 C +ATOM 8754 CG2 ILE D 409 47.992 41.260 32.458 1.00 65.85 C +ATOM 8755 CD1 ILE D 409 45.225 41.408 33.903 1.00 62.54 C +ATOM 8756 N ARG D 410 47.993 38.220 30.057 1.00 67.48 N +ATOM 8757 CA ARG D 410 49.117 37.457 29.500 1.00 69.31 C +ATOM 8758 C ARG D 410 49.492 38.019 28.130 1.00 70.04 C +ATOM 8759 O ARG D 410 50.653 38.397 27.943 1.00 70.96 O +ATOM 8760 CB ARG D 410 48.769 35.981 29.360 1.00 69.12 C +ATOM 8761 CG ARG D 410 48.520 35.221 30.633 1.00 69.92 C +ATOM 8762 CD ARG D 410 49.647 34.342 31.142 1.00 70.65 C +ATOM 8763 NE ARG D 410 50.258 33.538 30.119 1.00 71.07 N +ATOM 8764 CZ ARG D 410 49.890 32.491 29.410 1.00 71.84 C +ATOM 8765 NH1 ARG D 410 50.767 32.050 28.498 1.00 72.79 N +ATOM 8766 NH2 ARG D 410 48.756 31.816 29.501 1.00 71.83 N +ATOM 8767 N GLU D 411 48.529 38.128 27.207 1.00 69.99 N +ATOM 8768 CA GLU D 411 48.856 38.703 25.891 1.00 69.72 C +ATOM 8769 C GLU D 411 49.329 40.138 26.054 1.00 68.42 C +ATOM 8770 O GLU D 411 50.467 40.498 25.717 1.00 67.47 O +ATOM 8771 CB GLU D 411 47.694 38.589 24.924 1.00 71.01 C +ATOM 8772 CG GLU D 411 47.661 37.228 24.242 1.00 73.55 C +ATOM 8773 CD GLU D 411 47.320 36.072 25.164 1.00 74.67 C +ATOM 8774 OE1 GLU D 411 48.281 35.480 25.710 1.00 75.08 O +ATOM 8775 OE2 GLU D 411 46.114 35.769 25.347 1.00 75.56 O +ATOM 8776 N LYS D 412 48.515 40.908 26.793 1.00 66.71 N +ATOM 8777 CA LYS D 412 48.944 42.280 27.057 1.00 64.76 C +ATOM 8778 C LYS D 412 50.440 42.281 27.385 1.00 65.03 C +ATOM 8779 O LYS D 412 51.183 42.924 26.636 1.00 64.74 O +ATOM 8780 CB LYS D 412 48.050 42.904 28.116 1.00 62.73 C +ATOM 8781 CG LYS D 412 48.585 44.270 28.488 1.00 60.64 C +ATOM 8782 CD LYS D 412 47.708 45.024 29.461 1.00 58.97 C +ATOM 8783 CE LYS D 412 48.237 46.460 29.500 1.00 58.71 C +ATOM 8784 NZ LYS D 412 47.346 47.217 30.415 1.00 58.89 N +ATOM 8785 N TYR D 413 50.919 41.483 28.330 1.00 65.22 N +ATOM 8786 CA TYR D 413 52.332 41.483 28.690 1.00 65.88 C +ATOM 8787 C TYR D 413 53.342 40.651 27.936 1.00 67.63 C +ATOM 8788 O TYR D 413 54.397 40.307 28.476 1.00 67.47 O +ATOM 8789 CB TYR D 413 52.378 41.191 30.207 1.00 64.37 C +ATOM 8790 CG TYR D 413 51.972 42.447 30.976 1.00 63.16 C +ATOM 8791 CD1 TYR D 413 50.657 42.897 31.020 1.00 63.00 C +ATOM 8792 CD2 TYR D 413 52.926 43.182 31.643 1.00 62.23 C +ATOM 8793 CE1 TYR D 413 50.324 44.044 31.717 1.00 63.07 C +ATOM 8794 CE2 TYR D 413 52.610 44.319 32.350 1.00 62.43 C +ATOM 8795 CZ TYR D 413 51.301 44.759 32.377 1.00 62.60 C +ATOM 8796 OH TYR D 413 50.979 45.891 33.090 1.00 62.12 O +ATOM 8797 N LYS D 414 53.093 40.363 26.662 1.00 70.20 N +ATOM 8798 CA LYS D 414 54.000 39.664 25.785 1.00 71.82 C +ATOM 8799 C LYS D 414 54.663 40.703 24.889 1.00 74.00 C +ATOM 8800 O LYS D 414 55.779 40.395 24.492 1.00 74.88 O +ATOM 8801 CB LYS D 414 53.393 38.642 24.809 1.00 70.71 C +ATOM 8802 CG LYS D 414 52.615 37.573 25.506 1.00 70.61 C +ATOM 8803 CD LYS D 414 52.062 36.399 24.723 1.00 70.88 C +ATOM 8804 CE LYS D 414 51.699 35.345 25.777 1.00 70.86 C +ATOM 8805 NZ LYS D 414 50.711 34.337 25.359 1.00 70.66 N +ATOM 8806 N ASN D 415 54.027 41.808 24.570 1.00 76.48 N +ATOM 8807 CA ASN D 415 54.663 42.754 23.632 1.00 78.77 C +ATOM 8808 C ASN D 415 55.931 43.386 24.174 1.00 79.51 C +ATOM 8809 O ASN D 415 56.393 43.113 25.284 1.00 80.33 O +ATOM 8810 CB ASN D 415 53.592 43.740 23.182 1.00 80.15 C +ATOM 8811 CG ASN D 415 53.970 45.125 22.749 1.00 81.04 C +ATOM 8812 OD1 ASN D 415 54.716 45.841 23.429 1.00 80.94 O +ATOM 8813 ND2 ASN D 415 53.474 45.570 21.591 1.00 82.28 N +ATOM 8814 N SER D 416 56.555 44.266 23.391 1.00 80.25 N +ATOM 8815 CA SER D 416 57.717 45.056 23.663 1.00 80.12 C +ATOM 8816 C SER D 416 57.651 45.826 24.978 1.00 79.66 C +ATOM 8817 O SER D 416 58.462 45.670 25.876 1.00 79.43 O +ATOM 8818 CB SER D 416 57.957 46.173 22.608 1.00 80.02 C +ATOM 8819 OG SER D 416 58.585 47.333 23.176 1.00 81.06 O +ATOM 8820 N LYS D 417 56.708 46.756 25.013 1.00 79.23 N +ATOM 8821 CA LYS D 417 56.457 47.699 26.069 1.00 79.13 C +ATOM 8822 C LYS D 417 56.873 47.263 27.463 1.00 78.63 C +ATOM 8823 O LYS D 417 57.514 47.971 28.221 1.00 78.27 O +ATOM 8824 CB LYS D 417 54.951 47.993 26.134 1.00 79.57 C +ATOM 8825 CG LYS D 417 54.611 49.123 27.106 1.00 79.56 C +ATOM 8826 CD LYS D 417 53.304 49.741 26.636 1.00 79.71 C +ATOM 8827 CE LYS D 417 53.468 50.790 25.561 1.00 79.31 C +ATOM 8828 NZ LYS D 417 54.745 50.705 24.800 1.00 80.07 N +ATOM 8829 N TYR D 418 56.374 46.077 27.785 1.00 78.33 N +ATOM 8830 CA TYR D 418 56.582 45.372 29.026 1.00 77.66 C +ATOM 8831 C TYR D 418 57.641 44.295 28.924 1.00 77.26 C +ATOM 8832 O TYR D 418 57.997 43.685 29.941 1.00 78.12 O +ATOM 8833 CB TYR D 418 55.254 44.810 29.581 1.00 77.29 C +ATOM 8834 CG TYR D 418 54.183 45.877 29.445 1.00 77.48 C +ATOM 8835 CD1 TYR D 418 53.995 46.907 30.331 1.00 77.32 C +ATOM 8836 CD2 TYR D 418 53.373 45.846 28.323 1.00 77.42 C +ATOM 8837 CE1 TYR D 418 53.016 47.859 30.107 1.00 77.72 C +ATOM 8838 CE2 TYR D 418 52.386 46.780 28.084 1.00 78.00 C +ATOM 8839 CZ TYR D 418 52.208 47.796 28.993 1.00 78.55 C +ATOM 8840 OH TYR D 418 51.225 48.728 28.725 1.00 78.18 O +ATOM 8841 N HIS D 419 58.421 44.267 27.844 1.00 75.28 N +ATOM 8842 CA HIS D 419 59.609 43.437 27.701 1.00 73.63 C +ATOM 8843 C HIS D 419 59.332 41.962 27.685 1.00 71.95 C +ATOM 8844 O HIS D 419 60.028 41.158 28.310 1.00 71.11 O +ATOM 8845 CB HIS D 419 60.557 43.767 28.891 1.00 74.63 C +ATOM 8846 CG HIS D 419 60.923 45.223 28.765 1.00 75.41 C +ATOM 8847 ND1 HIS D 419 59.980 46.210 28.967 1.00 76.37 N +ATOM 8848 CD2 HIS D 419 62.044 45.880 28.435 1.00 75.60 C +ATOM 8849 CE1 HIS D 419 60.486 47.401 28.768 1.00 76.51 C +ATOM 8850 NE2 HIS D 419 61.754 47.220 28.456 1.00 76.17 N +ATOM 8851 N GLY D 420 58.196 41.587 27.110 1.00 71.02 N +ATOM 8852 CA GLY D 420 57.718 40.221 27.039 1.00 70.75 C +ATOM 8853 C GLY D 420 57.567 39.528 28.382 1.00 70.50 C +ATOM 8854 O GLY D 420 57.199 38.336 28.472 1.00 70.62 O +ATOM 8855 N VAL D 421 57.703 40.228 29.489 1.00 69.91 N +ATOM 8856 CA VAL D 421 57.705 39.736 30.835 1.00 70.62 C +ATOM 8857 C VAL D 421 56.692 38.678 31.200 1.00 71.28 C +ATOM 8858 O VAL D 421 57.110 37.812 31.995 1.00 70.88 O +ATOM 8859 CB VAL D 421 57.727 40.881 31.870 1.00 70.28 C +ATOM 8860 CG1 VAL D 421 59.038 41.647 31.696 1.00 70.65 C +ATOM 8861 CG2 VAL D 421 56.493 41.754 31.697 1.00 70.53 C +ATOM 8862 N SER D 422 55.476 38.583 30.669 1.00 71.96 N +ATOM 8863 CA SER D 422 54.622 37.471 31.078 1.00 72.72 C +ATOM 8864 C SER D 422 55.341 36.162 30.749 1.00 73.13 C +ATOM 8865 O SER D 422 55.354 35.245 31.560 1.00 73.95 O +ATOM 8866 CB SER D 422 53.271 37.442 30.381 1.00 72.44 C +ATOM 8867 OG SER D 422 53.430 37.543 28.989 1.00 72.55 O +ATOM 8868 N LEU D 423 55.890 36.121 29.545 1.00 73.97 N +ATOM 8869 CA LEU D 423 56.570 34.951 29.022 1.00 75.53 C +ATOM 8870 C LEU D 423 57.608 34.329 29.942 1.00 75.58 C +ATOM 8871 O LEU D 423 57.561 33.120 30.193 1.00 75.35 O +ATOM 8872 CB LEU D 423 57.172 35.331 27.658 1.00 75.43 C +ATOM 8873 CG LEU D 423 56.163 35.815 26.602 1.00 74.76 C +ATOM 8874 CD1 LEU D 423 56.888 36.331 25.366 1.00 74.72 C +ATOM 8875 CD2 LEU D 423 55.177 34.706 26.256 1.00 74.55 C +ATOM 8876 N LEU D 424 58.539 35.129 30.454 1.00 76.01 N +ATOM 8877 CA LEU D 424 59.568 34.611 31.348 1.00 76.73 C +ATOM 8878 C LEU D 424 58.857 33.890 32.483 1.00 77.71 C +ATOM 8879 O LEU D 424 57.875 34.374 33.009 1.00 77.78 O +ATOM 8880 CB LEU D 424 60.485 35.707 31.835 1.00 75.33 C +ATOM 8881 CG LEU D 424 60.085 37.144 31.535 1.00 74.28 C +ATOM 8882 CD1 LEU D 424 60.999 38.092 32.313 1.00 74.83 C +ATOM 8883 CD2 LEU D 424 60.161 37.460 30.043 1.00 74.83 C +ATOM 8884 N ASN D 425 59.315 32.688 32.752 1.00 80.10 N +ATOM 8885 CA ASN D 425 58.802 31.779 33.765 1.00 82.32 C +ATOM 8886 C ASN D 425 58.865 32.316 35.196 1.00 81.83 C +ATOM 8887 O ASN D 425 59.671 33.179 35.555 1.00 80.87 O +ATOM 8888 CB ASN D 425 59.668 30.520 33.608 1.00 83.54 C +ATOM 8889 CG ASN D 425 59.528 29.627 32.401 1.00 83.49 C +ATOM 8890 OD1 ASN D 425 60.454 28.897 32.013 1.00 84.42 O +ATOM 8891 ND2 ASN D 425 58.354 29.613 31.762 1.00 85.40 N +ATOM 8892 N PRO D 426 57.963 31.829 36.049 1.00 82.91 N +ATOM 8893 CA PRO D 426 57.913 32.192 37.461 1.00 84.92 C +ATOM 8894 C PRO D 426 58.965 31.379 38.192 1.00 87.85 C +ATOM 8895 O PRO D 426 59.665 30.546 37.589 1.00 87.95 O +ATOM 8896 CB PRO D 426 56.520 31.691 37.871 1.00 83.55 C +ATOM 8897 CG PRO D 426 56.436 30.409 37.098 1.00 83.28 C +ATOM 8898 CD PRO D 426 56.958 30.778 35.728 1.00 82.93 C +ATOM 8899 N PRO D 427 59.086 31.556 39.492 1.00 89.80 N +ATOM 8900 CA PRO D 427 59.984 30.753 40.302 1.00 92.11 C +ATOM 8901 C PRO D 427 59.268 29.474 40.699 1.00 95.50 C +ATOM 8902 O PRO D 427 58.048 29.475 40.904 1.00 94.70 O +ATOM 8903 CB PRO D 427 60.218 31.655 41.501 1.00 91.49 C +ATOM 8904 CG PRO D 427 58.889 32.316 41.708 1.00 91.58 C +ATOM 8905 CD PRO D 427 58.309 32.499 40.330 1.00 90.55 C +ATOM 8906 N GLU D 428 59.998 28.382 40.845 1.00 98.99 N +ATOM 8907 CA GLU D 428 59.402 27.101 41.232 1.00102.46 C +ATOM 8908 C GLU D 428 58.582 27.286 42.509 1.00104.82 C +ATOM 8909 O GLU D 428 57.382 27.088 42.632 1.00104.96 O +ATOM 8910 CB GLU D 428 60.409 25.971 41.327 1.00104.27 C +ATOM 8911 CG GLU D 428 61.749 25.940 42.000 1.00104.28 C +ATOM 8912 CD GLU D 428 62.628 24.738 41.656 1.00103.92 C +ATOM 8913 OE1 GLU D 428 62.341 24.029 40.659 1.00105.23 O +ATOM 8914 OE2 GLU D 428 63.632 24.471 42.368 1.00105.29 O +ATOM 8915 N THR D 429 59.321 27.651 43.538 1.00108.29 N +ATOM 8916 CA THR D 429 58.932 27.898 44.898 1.00111.61 C +ATOM 8917 C THR D 429 59.576 29.218 45.357 1.00114.71 C +ATOM 8918 O THR D 429 60.400 29.792 44.637 1.00115.22 O +ATOM 8919 CB THR D 429 59.434 26.838 45.895 1.00111.35 C +ATOM 8920 OG1 THR D 429 60.846 27.035 46.104 1.00110.96 O +ATOM 8921 CG2 THR D 429 59.204 25.411 45.434 1.00111.23 C +ATOM 8922 N LEU D 430 59.214 29.638 46.568 1.00119.27 N +ATOM 8923 CA LEU D 430 59.675 30.928 47.058 1.00124.41 C +ATOM 8924 C LEU D 430 60.695 30.969 48.168 1.00127.87 C +ATOM 8925 O LEU D 430 61.325 32.040 48.284 1.00129.09 O +ATOM 8926 CB LEU D 430 58.404 31.712 47.465 1.00123.63 C +ATOM 8927 CG LEU D 430 57.331 31.771 46.357 1.00122.46 C +ATOM 8928 CD1 LEU D 430 55.958 32.011 46.950 1.00123.07 C +ATOM 8929 CD2 LEU D 430 57.713 32.835 45.337 1.00123.02 C +ATOM 8930 N ASN D 431 60.990 29.907 48.896 1.00133.66 N +ATOM 8931 CA ASN D 431 61.999 30.016 49.950 1.00139.39 C +ATOM 8932 C ASN D 431 61.511 31.038 50.989 1.00140.94 C +ATOM 8933 O ASN D 431 62.110 32.064 51.284 1.00142.21 O +ATOM 8934 CB ASN D 431 63.389 30.341 49.451 1.00140.08 C +ATOM 8935 CG ASN D 431 64.248 29.363 48.696 1.00140.38 C +ATOM 8936 OD1 ASN D 431 64.177 29.255 47.462 1.00141.69 O +ATOM 8937 ND2 ASN D 431 65.130 28.645 49.394 1.00141.54 N +ATOM 8938 N LEU D 432 60.328 30.756 51.531 1.00144.26 N +ATOM 8939 CA LEU D 432 59.718 31.429 52.657 1.00148.49 C +ATOM 8940 C LEU D 432 59.428 30.259 53.661 1.00146.30 C +ATOM 8941 O LEU D 432 60.360 29.439 53.832 1.00149.14 O +ATOM 8942 CB LEU D 432 58.502 32.326 52.486 1.00149.05 C +ATOM 8943 CG LEU D 432 58.491 33.807 52.817 1.00146.70 C +ATOM 8944 CD1 LEU D 432 57.268 34.317 53.574 1.00151.03 C +ATOM 8945 CD2 LEU D 432 59.813 34.409 53.230 1.00151.23 C +TER 8946 LEU D 432 +HETATM 8947 C2 2A6 A1298 7.821 43.702 49.399 1.00 54.89 C +HETATM 8948 C8 2A6 A1298 10.739 46.155 51.647 1.00 54.14 C +HETATM 8949 C10 2A6 A1298 5.116 45.274 51.617 1.00 54.39 C +HETATM 8950 C11 2A6 A1298 4.107 45.724 52.703 1.00 54.77 C +HETATM 8951 C12 2A6 A1298 2.766 45.986 51.986 1.00 54.13 C +HETATM 8952 C13 2A6 A1298 1.562 46.086 52.939 1.00 54.40 C +HETATM 8953 C14 2A6 A1298 1.448 44.969 53.987 1.00 54.37 C +HETATM 8954 C15 2A6 A1298 2.787 44.740 54.725 1.00 55.07 C +HETATM 8955 C16 2A6 A1298 4.009 44.609 53.792 1.00 54.78 C +HETATM 8956 C19 2A6 A1298 4.667 40.917 47.403 1.00 55.22 C +HETATM 8957 C20 2A6 A1298 4.059 40.648 48.633 1.00 55.60 C +HETATM 8958 C21 2A6 A1298 4.645 41.093 49.815 1.00 55.87 C +HETATM 8959 C22 2A6 A1298 5.852 41.789 49.808 1.00 55.69 C +HETATM 8960 N1 2A6 A1298 6.870 44.489 50.181 1.00 55.13 N +HETATM 8961 C6 2A6 A1298 7.237 45.385 51.037 1.00 54.33 C +HETATM 8962 O6 2A6 A1298 6.320 46.074 51.736 1.00 54.44 O +HETATM 8963 C5 2A6 A1298 8.659 45.625 51.199 1.00 53.99 C +HETATM 8964 N7 2A6 A1298 9.549 46.452 51.963 1.00 53.78 N +HETATM 8965 N9 2A6 A1298 10.773 45.213 50.736 1.00 53.65 N +HETATM 8966 C4 2A6 A1298 9.534 44.912 50.478 1.00 53.71 C +HETATM 8967 N3 2A6 A1298 9.061 43.920 49.571 1.00 53.66 N +HETATM 8968 N2 2A6 A1298 7.600 42.762 48.532 1.00 55.48 N +HETATM 8969 C17 2A6 A1298 6.445 42.061 48.581 1.00 55.53 C +HETATM 8970 C18 2A6 A1298 5.855 41.632 47.396 1.00 55.17 C +HETATM 8971 C2 2A6 C1298 33.607 84.227 45.192 1.00 49.25 C +HETATM 8972 C8 2A6 C1298 34.077 79.763 45.267 1.00 48.23 C +HETATM 8973 C10 2A6 C1298 34.495 83.495 41.262 1.00 54.39 C +HETATM 8974 C11 2A6 C1298 35.252 82.874 40.062 1.00 54.77 C +HETATM 8975 C12 2A6 C1298 34.981 83.782 38.843 1.00 54.13 C +HETATM 8976 C13 2A6 C1298 35.933 83.534 37.660 1.00 54.40 C +HETATM 8977 C14 2A6 C1298 37.426 83.469 38.011 1.00 54.37 C +HETATM 8978 C15 2A6 C1298 37.692 82.529 39.209 1.00 55.07 C +HETATM 8979 C16 2A6 C1298 36.768 82.772 40.420 1.00 54.78 C +HETATM 8980 C19 2A6 C1298 33.297 88.887 44.265 1.00 51.93 C +HETATM 8981 C20 2A6 C1298 34.362 88.868 43.352 1.00 52.90 C +HETATM 8982 C21 2A6 C1298 35.117 87.699 43.185 1.00 52.85 C +HETATM 8983 C22 2A6 C1298 34.804 86.550 43.924 1.00 52.19 C +HETATM 8984 N1 2A6 C1298 33.864 83.961 43.781 1.00 48.81 N +HETATM 8985 C6 2A6 C1298 34.077 82.799 43.330 1.00 48.98 C +HETATM 8986 O6 2A6 C1298 34.330 82.577 42.045 1.00 50.04 O +HETATM 8987 C5 2A6 C1298 34.067 81.635 44.221 1.00 49.16 C +HETATM 8988 N7 2A6 C1298 34.246 80.199 44.113 1.00 47.10 N +HETATM 8989 N9 2A6 C1298 33.824 80.714 46.132 1.00 48.06 N +HETATM 8990 C4 2A6 C1298 33.807 81.847 45.509 1.00 48.35 C +HETATM 8991 N3 2A6 C1298 33.582 83.199 45.938 1.00 48.97 N +HETATM 8992 N2 2A6 C1298 33.412 85.457 45.584 1.00 50.85 N +HETATM 8993 C17 2A6 C1298 33.726 86.555 44.842 1.00 52.40 C +HETATM 8994 C18 2A6 C1298 32.976 87.727 44.997 1.00 51.91 C +HETATM 8995 O HOH A2001 11.733 62.443 38.842 1.00 54.64 O +HETATM 8996 O HOH A2002 12.584 59.062 33.778 1.00 69.90 O +HETATM 8997 O HOH A2003 21.039 58.260 37.730 1.00 48.77 O +HETATM 8998 O HOH A2004 16.435 58.121 39.184 1.00 52.34 O +HETATM 8999 O HOH A2005 7.568 54.640 36.338 1.00 35.58 O +HETATM 9000 O HOH A2006 -1.127 47.042 40.475 1.00 57.05 O +HETATM 9001 O HOH A2007 -1.430 54.857 55.209 1.00 60.50 O +HETATM 9002 O HOH A2008 17.963 50.173 42.367 1.00 43.01 O +HETATM 9003 O HOH A2009 18.478 44.948 46.584 1.00 30.62 O +HETATM 9004 O HOH A2010 13.919 39.745 42.789 1.00 58.56 O +HETATM 9005 O HOH A2011 2.343 56.059 48.289 1.00124.19 O +HETATM 9006 O HOH A2012 2.323 59.912 42.556 1.00 67.05 O +HETATM 9007 O HOH A2013 1.122 57.456 50.212 1.00 54.72 O +HETATM 9008 O HOH A2014 5.127 20.426 61.843 1.00 59.14 O +HETATM 9009 O HOH A2015 1.591 68.562 49.128 1.00103.17 O +HETATM 9010 O HOH A2016 -3.620 65.261 55.140 1.00 62.06 O +HETATM 9011 O HOH A2017 6.730 68.722 54.888 1.00 52.36 O +HETATM 9012 O HOH A2018 -0.237 71.919 63.287 1.00 49.27 O +HETATM 9013 O HOH A2019 -0.038 65.244 58.825 1.00 67.58 O +HETATM 9014 O HOH A2020 18.272 48.750 56.217 1.00 38.95 O +HETATM 9015 O HOH A2021 21.503 52.729 55.196 1.00 66.43 O +HETATM 9016 O HOH A2022 22.719 56.396 65.484 1.00 43.55 O +HETATM 9017 O HOH A2023 -3.605 48.039 65.021 1.00 60.86 O +HETATM 9018 O HOH A2024 19.026 45.515 57.106 1.00 47.98 O +HETATM 9019 O HOH A2025 19.203 36.686 54.170 1.00 55.02 O +HETATM 9020 O HOH A2026 24.349 44.370 50.246 1.00 64.33 O +HETATM 9021 O HOH A2027 23.287 51.721 50.830 1.00104.09 O +HETATM 9022 O HOH A2028 14.139 68.412 48.018 1.00 41.42 O +HETATM 9023 O HOH A2029 12.725 67.994 46.037 1.00 66.30 O +HETATM 9024 O HOH A2030 -15.444 44.925 75.251 1.00 35.19 O +HETATM 9025 O HOH A2031 8.017 65.065 45.422 1.00114.22 O +HETATM 9026 O HOH A2032 1.837 29.198 84.555 1.00 55.71 O +HETATM 9027 O HOH A2033 3.854 31.477 82.615 1.00 38.74 O +HETATM 9028 O HOH A2034 19.016 44.342 48.988 1.00 36.49 O +HETATM 9029 O HOH A2035 15.564 41.313 45.547 1.00 69.15 O +HETATM 9030 O HOH A2036 -14.169 29.837 84.554 1.00 45.11 O +HETATM 9031 O HOH A2037 -6.684 34.702 55.330 1.00 59.62 O +HETATM 9032 O HOH A2038 0.889 23.447 50.676 1.00 64.52 O +HETATM 9033 O HOH A2039 6.591 18.547 59.574 1.00 49.58 O +HETATM 9034 O HOH A2040 13.104 20.070 61.320 1.00 42.78 O +HETATM 9035 O HOH A2041 11.506 32.198 51.896 1.00 27.72 O +HETATM 9036 O HOH A2042 22.223 40.255 69.924 1.00 36.70 O +HETATM 9037 O HOH A2043 7.073 48.536 63.268 1.00 26.45 O +HETATM 9038 O HOH A2044 1.388 42.960 65.469 1.00 59.10 O +HETATM 9039 O HOH A2045 5.549 42.866 67.699 1.00 29.99 O +HETATM 9040 O HOH A2046 -2.963 42.702 59.521 1.00 36.18 O +HETATM 9041 O HOH A2047 17.985 36.731 46.977 1.00 56.86 O +HETATM 9042 O HOH A2048 18.610 42.376 54.673 1.00 30.05 O +HETATM 9043 O HOH A2049 7.110 54.583 65.322 1.00 39.23 O +HETATM 9044 O HOH A2050 11.958 56.233 68.557 1.00 48.22 O +HETATM 9045 O HOH A2051 17.841 54.941 72.362 1.00 56.85 O +HETATM 9046 O HOH A2052 19.283 54.644 77.177 1.00 37.56 O +HETATM 9047 O HOH A2053 14.960 55.245 79.215 1.00 17.95 O +HETATM 9048 O HOH A2054 13.899 48.565 81.301 1.00 39.09 O +HETATM 9049 O HOH A2055 7.575 50.923 78.051 1.00 25.29 O +HETATM 9050 O HOH A2056 7.898 56.966 82.596 1.00 53.87 O +HETATM 9051 O HOH A2057 13.529 55.690 77.146 1.00 20.10 O +HETATM 9052 O HOH A2058 2.757 51.994 77.247 1.00 30.13 O +HETATM 9053 O HOH A2059 -5.184 50.688 73.861 1.00 36.15 O +HETATM 9054 O HOH A2060 -5.263 55.054 73.226 1.00 61.70 O +HETATM 9055 O HOH A2061 -2.925 55.369 76.325 1.00 52.20 O +HETATM 9056 O HOH A2062 -0.256 56.371 75.069 1.00 35.13 O +HETATM 9057 O HOH A2063 -5.442 45.381 65.810 1.00 24.05 O +HETATM 9058 O HOH A2064 -5.541 41.433 64.668 1.00 56.31 O +HETATM 9059 O HOH A2065 -2.360 35.088 67.830 1.00 25.64 O +HETATM 9060 O HOH A2066 -1.678 37.813 71.594 1.00 26.06 O +HETATM 9061 O HOH A2067 3.269 41.946 71.393 1.00 20.40 O +HETATM 9062 O HOH A2068 -3.099 36.924 60.725 1.00 44.39 O +HETATM 9063 O HOH A2069 -4.525 46.833 74.949 1.00 33.35 O +HETATM 9064 O HOH A2070 -6.251 49.063 68.381 1.00 46.59 O +HETATM 9065 O HOH A2071 2.509 49.518 85.727 1.00 40.84 O +HETATM 9066 O HOH A2072 10.201 56.259 83.862 1.00 40.06 O +HETATM 9067 O HOH A2073 10.838 43.375 78.022 1.00 45.14 O +HETATM 9068 O HOH A2074 -1.115 33.705 65.652 1.00 22.36 O +HETATM 9069 O HOH A2075 -4.748 23.460 63.170 1.00 43.51 O +HETATM 9070 O HOH A2076 -5.766 31.341 59.037 1.00 61.60 O +HETATM 9071 O HOH A2077 -2.156 29.067 66.448 1.00 52.89 O +HETATM 9072 O HOH A2078 -10.384 24.272 63.788 1.00 57.02 O +HETATM 9073 O HOH A2079 -8.409 30.082 65.581 1.00 50.54 O +HETATM 9074 O HOH A2080 -14.844 44.776 70.358 1.00 58.99 O +HETATM 9075 O HOH A2081 -15.942 35.126 65.982 1.00108.99 O +HETATM 9076 O HOH A2082 -7.805 46.051 78.768 1.00 48.32 O +HETATM 9077 O HOH A2083 -12.522 45.287 75.789 1.00 41.62 O +HETATM 9078 O HOH A2084 -11.208 30.206 72.449 1.00 26.62 O +HETATM 9079 O HOH A2085 -0.706 27.097 77.971 1.00105.64 O +HETATM 9080 O HOH A2086 -0.597 30.439 83.850 1.00 24.03 O +HETATM 9081 O HOH A2087 4.929 33.866 84.372 1.00 40.56 O +HETATM 9082 O HOH A2088 5.132 43.379 84.894 1.00 49.35 O +HETATM 9083 O HOH A2089 -4.607 51.514 82.823 1.00 69.39 O +HETATM 9084 O HOH A2090 -7.847 38.091 92.031 1.00 48.68 O +HETATM 9085 O HOH A2091 -13.546 43.089 89.430 1.00 50.96 O +HETATM 9086 O HOH A2092 -13.889 40.144 83.864 1.00 26.00 O +HETATM 9087 O HOH A2093 -13.058 34.850 89.188 1.00 47.97 O +HETATM 9088 O HOH A2094 -10.682 36.241 93.670 1.00 64.46 O +HETATM 9089 O HOH A2095 -12.205 27.301 84.179 1.00 37.99 O +HETATM 9090 O HOH A2096 2.413 30.737 79.502 1.00 36.21 O +HETATM 9091 O HOH A2097 -2.151 16.498 71.538 1.00 29.21 O +HETATM 9092 O HOH A2098 7.019 15.632 68.003 1.00 47.66 O +HETATM 9093 O HOH A2099 8.958 15.296 70.946 1.00 46.28 O +HETATM 9094 O HOH A2100 13.764 16.955 73.599 1.00 67.92 O +HETATM 9095 O HOH A2101 13.561 21.080 75.010 1.00 58.70 O +HETATM 9096 O HOH A2102 10.715 23.573 79.019 1.00101.88 O +HETATM 9097 O HOH A2103 13.270 31.492 79.151 1.00 61.07 O +HETATM 9098 O HOH A2104 9.921 30.735 80.384 1.00 68.00 O +HETATM 9099 O HOH A2105 14.354 34.682 81.164 1.00 41.25 O +HETATM 9100 O HOH A2106 25.208 39.667 76.348 1.00 34.42 O +HETATM 9101 O HOH A2107 14.930 22.756 76.749 1.00 50.27 O +HETATM 9102 O HOH A2108 15.732 25.183 76.955 1.00 37.27 O +HETATM 9103 O HOH A2109 20.059 24.612 69.244 1.00 28.17 O +HETATM 9104 O HOH A2110 20.639 19.585 71.186 1.00 68.71 O +HETATM 9105 O HOH A2111 21.949 18.276 63.448 1.00 60.84 O +HETATM 9106 O HOH A2112 18.766 14.731 69.275 1.00 55.46 O +HETATM 9107 O HOH A2113 22.574 14.673 69.098 1.00 65.09 O +HETATM 9108 O HOH A2114 19.414 27.063 51.210 1.00 56.37 O +HETATM 9109 O HOH A2115 18.987 34.066 51.345 1.00 37.59 O +HETATM 9110 O HOH A2116 20.218 24.154 54.164 1.00 41.29 O +HETATM 9111 O HOH A2117 9.248 47.625 54.584 1.00 28.52 O +HETATM 9112 O HOH B2001 13.793 84.632 82.306 1.00 52.49 O +HETATM 9113 O HOH B2002 28.904 67.382 71.951 1.00 39.34 O +HETATM 9114 O HOH B2003 15.782 81.787 71.214 1.00 19.66 O +HETATM 9115 O HOH B2004 17.919 82.481 70.029 1.00 49.31 O +HETATM 9116 O HOH B2005 14.188 83.869 72.224 1.00 55.89 O +HETATM 9117 O HOH B2006 19.772 56.657 52.309 1.00 47.03 O +HETATM 9118 O HOH B2007 22.428 41.387 83.161 1.00 60.75 O +HETATM 9119 O HOH B2008 14.980 39.513 72.878 1.00 37.13 O +HETATM 9120 O HOH B2009 24.175 42.435 76.186 1.00 30.45 O +HETATM 9121 O HOH B2010 27.944 41.811 72.295 1.00 67.49 O +HETATM 9122 O HOH B2011 30.488 48.154 76.762 1.00 35.96 O +HETATM 9123 O HOH B2012 32.403 54.920 66.815 1.00 40.06 O +HETATM 9124 O HOH B2013 27.790 62.419 70.627 1.00 35.00 O +HETATM 9125 O HOH B2014 25.806 59.718 62.725 1.00 57.27 O +HETATM 9126 O HOH B2015 34.077 82.687 60.870 1.00 52.37 O +HETATM 9127 O HOH B2016 43.643 80.326 66.619 1.00 55.97 O +HETATM 9128 O HOH B2017 29.387 77.767 59.389 1.00 55.01 O +HETATM 9129 O HOH B2018 31.267 82.873 65.800 1.00 27.66 O +HETATM 9130 O HOH B2019 33.173 86.367 63.361 1.00 64.45 O +HETATM 9131 O HOH B2020 27.210 87.362 71.087 1.00 47.62 O +HETATM 9132 O HOH B2021 32.349 82.716 70.939 1.00 35.36 O +HETATM 9133 O HOH B2022 29.797 84.227 73.199 1.00 44.19 O +HETATM 9134 O HOH B2023 15.702 82.590 75.922 1.00 60.14 O +HETATM 9135 O HOH B2024 16.964 82.275 81.399 1.00 41.19 O +HETATM 9136 O HOH B2025 19.953 77.401 82.258 1.00 33.12 O +HETATM 9137 O HOH B2026 13.984 83.551 80.005 1.00 26.61 O +HETATM 9138 O HOH B2027 10.343 75.000 84.927 1.00 69.48 O +HETATM 9139 O HOH B2028 1.370 75.710 80.970 1.00 63.94 O +HETATM 9140 O HOH B2029 0.848 73.309 76.791 1.00 49.79 O +HETATM 9141 O HOH B2030 13.309 61.473 79.259 1.00 43.31 O +HETATM 9142 O HOH B2031 5.737 60.407 77.690 1.00 33.91 O +HETATM 9143 O HOH B2032 25.773 65.426 71.367 1.00 31.40 O +HETATM 9144 O HOH B2033 26.109 68.555 71.175 1.00 39.73 O +HETATM 9145 O HOH B2034 32.260 73.858 60.110 1.00 49.78 O +HETATM 9146 O HOH B2035 23.936 77.479 55.993 1.00 35.77 O +HETATM 9147 O HOH B2036 10.225 83.621 71.201 1.00 48.21 O +HETATM 9148 O HOH B2037 16.170 84.154 70.310 1.00 43.49 O +HETATM 9149 O HOH B2038 14.049 56.658 74.332 1.00 30.77 O +HETATM 9150 O HOH B2039 6.072 61.121 68.335 1.00 23.26 O +HETATM 9151 O HOH B2040 6.400 60.706 75.392 1.00 41.62 O +HETATM 9152 O HOH B2041 0.271 67.157 72.510 1.00 52.78 O +HETATM 9153 O HOH B2042 2.728 82.447 62.374 1.00 50.27 O +HETATM 9154 O HOH B2043 7.735 82.351 55.044 1.00 49.53 O +HETATM 9155 O HOH B2044 11.684 79.473 52.690 1.00 61.95 O +HETATM 9156 O HOH B2045 23.510 66.967 52.583 1.00 55.57 O +HETATM 9157 O HOH B2046 19.180 59.303 54.189 1.00 32.24 O +HETATM 9158 O HOH B2047 20.497 57.187 61.288 1.00 32.98 O +HETATM 9159 O HOH B2048 19.372 57.503 63.496 1.00 47.52 O +HETATM 9160 O HOH B2049 18.188 58.207 70.117 1.00 41.68 O +HETATM 9161 O HOH B2050 23.203 64.814 75.750 1.00 52.45 O +HETATM 9162 O HOH B2051 19.536 54.109 74.344 1.00 34.46 O +HETATM 9163 O HOH B2052 16.692 55.373 84.724 1.00 46.25 O +HETATM 9164 O HOH B2053 17.186 56.482 78.801 1.00 42.00 O +HETATM 9165 O HOH B2054 30.265 55.035 79.060 1.00 24.37 O +HETATM 9166 O HOH B2055 27.469 50.008 92.148 1.00 32.19 O +HETATM 9167 O HOH B2056 22.507 55.642 97.085 1.00 59.88 O +HETATM 9168 O HOH B2057 14.544 57.683 91.524 1.00 67.37 O +HETATM 9169 O HOH B2058 26.052 68.599 76.833 1.00 19.11 O +HETATM 9170 O HOH B2059 28.133 79.593 77.019 1.00 44.41 O +HETATM 9171 O HOH B2060 30.022 78.462 75.833 1.00 33.41 O +HETATM 9172 O HOH B2061 36.510 76.475 79.059 1.00 71.03 O +HETATM 9173 O HOH B2062 29.079 67.675 74.538 1.00 38.24 O +HETATM 9174 O HOH B2063 30.225 65.891 100.132 1.00 45.03 O +HETATM 9175 O HOH B2064 26.822 62.718 102.584 1.00 57.16 O +HETATM 9176 O HOH B2065 29.094 54.231 94.707 1.00 29.40 O +HETATM 9177 O HOH B2066 36.211 55.235 91.671 1.00 44.14 O +HETATM 9178 O HOH B2067 32.848 50.985 94.692 1.00 60.36 O +HETATM 9179 O HOH B2068 32.565 44.770 81.142 1.00 57.12 O +HETATM 9180 O HOH B2069 32.235 50.064 77.622 1.00 23.05 O +HETATM 9181 O HOH B2070 38.820 55.224 90.030 1.00 48.45 O +HETATM 9182 O HOH B2071 37.164 59.666 79.632 1.00 55.56 O +HETATM 9183 O HOH B2072 36.880 64.288 81.094 1.00 46.09 O +HETATM 9184 O HOH B2073 36.959 72.349 90.385 1.00 62.66 O +HETATM 9185 O HOH B2074 29.559 76.410 82.236 1.00 36.05 O +HETATM 9186 O HOH B2075 24.344 76.080 92.207 1.00 41.52 O +HETATM 9187 O HOH B2076 22.177 78.406 85.434 1.00 36.27 O +HETATM 9188 O HOH B2077 12.043 76.956 83.390 1.00 37.94 O +HETATM 9189 O HOH B2078 19.755 77.049 84.835 1.00 27.47 O +HETATM 9190 O HOH B2079 12.928 71.178 79.257 1.00 29.28 O +HETATM 9191 O HOH B2080 8.349 70.630 86.337 1.00 59.15 O +HETATM 9192 O HOH B2081 7.600 72.294 92.816 1.00 45.44 O +HETATM 9193 O HOH B2082 14.796 66.337 97.449 1.00 44.46 O +HETATM 9194 O HOH B2083 21.574 75.440 91.756 1.00 28.56 O +HETATM 9195 O HOH B2084 21.958 72.304 93.562 1.00 44.30 O +HETATM 9196 O HOH B2085 23.669 70.168 99.473 1.00 65.85 O +HETATM 9197 O HOH B2086 33.472 69.006 100.284 1.00 60.09 O +HETATM 9198 O HOH B2087 44.602 67.151 92.736 1.00100.22 O +HETATM 9199 O HOH C2001 16.982 67.375 43.208 1.00 65.14 O +HETATM 9200 O HOH C2002 12.625 71.699 42.880 1.00 65.21 O +HETATM 9201 O HOH C2003 19.844 73.468 50.612 1.00 28.89 O +HETATM 9202 O HOH C2004 25.375 83.001 32.448 1.00 47.40 O +HETATM 9203 O HOH C2005 31.840 88.231 34.404 1.00 69.07 O +HETATM 9204 O HOH C2006 33.268 79.531 31.747 1.00 42.47 O +HETATM 9205 O HOH C2007 33.262 79.285 36.520 1.00 46.96 O +HETATM 9206 O HOH C2008 31.362 76.034 30.238 1.00 52.17 O +HETATM 9207 O HOH C2009 25.178 92.968 46.388 1.00 46.48 O +HETATM 9208 O HOH C2010 20.026 68.871 30.348 1.00 60.26 O +HETATM 9209 O HOH C2011 23.876 77.013 51.894 1.00 31.77 O +HETATM 9210 O HOH C2012 31.212 78.707 54.860 1.00 45.95 O +HETATM 9211 O HOH C2013 35.344 78.754 39.077 1.00 50.94 O +HETATM 9212 O HOH C2014 17.743 78.440 35.101 1.00116.56 O +HETATM 9213 O HOH C2015 23.955 81.805 30.520 1.00 63.11 O +HETATM 9214 O HOH C2016 28.716 73.986 32.310 1.00 46.57 O +HETATM 9215 O HOH C2017 28.608 67.861 27.539 1.00 53.88 O +HETATM 9216 O HOH C2018 19.930 65.374 25.817 1.00 34.34 O +HETATM 9217 O HOH C2019 31.046 67.078 29.495 1.00 40.14 O +HETATM 9218 O HOH C2020 37.031 72.345 50.043 1.00 38.22 O +HETATM 9219 O HOH C2021 48.193 75.191 57.465 1.00 64.04 O +HETATM 9220 O HOH C2022 40.018 74.382 57.075 1.00 67.63 O +HETATM 9221 O HOH C2023 47.081 78.139 53.943 1.00118.34 O +HETATM 9222 O HOH C2024 34.232 69.851 50.993 1.00 55.32 O +HETATM 9223 O HOH C2025 31.276 69.472 52.737 1.00 64.15 O +HETATM 9224 O HOH C2026 23.473 67.655 47.751 1.00 45.38 O +HETATM 9225 O HOH C2027 24.414 70.680 53.240 1.00 53.02 O +HETATM 9226 O HOH C2028 21.445 66.107 44.816 1.00 56.37 O +HETATM 9227 O HOH C2029 23.772 62.505 43.984 1.00 56.85 O +HETATM 9228 O HOH C2030 18.006 64.546 39.949 1.00 57.58 O +HETATM 9229 O HOH C2031 47.448 83.324 24.727 1.00 50.18 O +HETATM 9230 O HOH C2032 47.208 86.785 22.898 1.00 56.62 O +HETATM 9231 O HOH C2033 18.669 66.995 31.728 1.00 40.30 O +HETATM 9232 O HOH C2034 40.909 96.830 45.945 1.00120.81 O +HETATM 9233 O HOH C2035 40.254 101.770 45.304 1.00 67.97 O +HETATM 9234 O HOH C2036 44.962 102.341 45.589 1.00 66.88 O +HETATM 9235 O HOH C2037 44.847 58.908 44.804 1.00 49.17 O +HETATM 9236 O HOH C2038 34.728 88.631 53.595 1.00 55.10 O +HETATM 9237 O HOH C2039 42.157 89.137 52.986 1.00 38.72 O +HETATM 9238 O HOH C2040 42.671 74.608 38.582 1.00 59.51 O +HETATM 9239 O HOH C2041 43.569 64.093 38.089 1.00 53.60 O +HETATM 9240 O HOH C2042 50.940 75.043 29.256 1.00 54.15 O +HETATM 9241 O HOH C2043 44.696 77.444 31.660 1.00107.21 O +HETATM 9242 O HOH C2044 53.572 86.895 34.880 1.00 47.64 O +HETATM 9243 O HOH C2045 55.023 82.606 32.941 1.00 40.89 O +HETATM 9244 O HOH C2046 58.402 80.319 32.364 1.00106.02 O +HETATM 9245 O HOH C2047 47.553 78.306 26.598 1.00 48.62 O +HETATM 9246 O HOH C2048 60.952 66.143 28.656 1.00 54.75 O +HETATM 9247 O HOH C2049 60.999 59.244 30.344 1.00 58.66 O +HETATM 9248 O HOH C2050 59.439 57.714 25.970 1.00 60.85 O +HETATM 9249 O HOH C2051 62.230 68.713 33.294 1.00 58.72 O +HETATM 9250 O HOH C2052 54.210 65.705 34.069 1.00 50.80 O +HETATM 9251 O HOH C2053 57.592 71.090 37.280 1.00 68.41 O +HETATM 9252 O HOH C2054 53.643 77.346 35.974 1.00 50.72 O +HETATM 9253 O HOH C2055 57.957 91.426 30.738 1.00 59.42 O +HETATM 9254 O HOH C2056 49.211 84.137 22.805 1.00 48.76 O +HETATM 9255 O HOH C2057 50.947 74.461 21.421 1.00115.30 O +HETATM 9256 O HOH C2058 58.163 85.732 30.061 1.00121.02 O +HETATM 9257 O HOH C2059 64.345 90.656 21.923 1.00 44.89 O +HETATM 9258 O HOH C2060 62.638 89.143 20.340 1.00 57.88 O +HETATM 9259 O HOH C2061 70.368 81.608 33.558 1.00 54.30 O +HETATM 9260 O HOH C2062 72.555 67.622 32.287 1.00 60.55 O +HETATM 9261 O HOH C2063 76.095 79.415 20.862 1.00 46.48 O +HETATM 9262 O HOH C2064 77.134 83.791 24.340 1.00 50.80 O +HETATM 9263 O HOH C2065 69.619 88.554 23.013 1.00116.93 O +HETATM 9264 O HOH C2066 74.855 88.357 27.806 1.00 64.00 O +HETATM 9265 O HOH C2067 64.231 98.012 49.330 1.00107.68 O +HETATM 9266 O HOH C2068 62.914 94.662 54.726 1.00 60.50 O +HETATM 9267 O HOH C2069 66.798 94.317 52.224 1.00108.47 O +HETATM 9268 O HOH C2070 63.567 80.432 35.952 1.00116.02 O +HETATM 9269 O HOH C2071 65.229 66.327 37.478 1.00 69.79 O +HETATM 9270 O HOH C2072 67.363 68.028 42.382 1.00 59.62 O +HETATM 9271 O HOH C2073 59.405 81.565 58.427 1.00 49.65 O +HETATM 9272 O HOH C2074 46.652 89.222 55.994 1.00 56.53 O +HETATM 9273 O HOH D2001 42.084 51.769 17.280 1.00108.99 O +HETATM 9274 O HOH D2002 31.354 41.674 30.226 1.00 39.83 O +HETATM 9275 O HOH D2003 51.375 52.431 50.623 1.00104.06 O +HETATM 9276 O HOH D2004 41.820 50.464 47.721 1.00 38.37 O +HETATM 9277 O HOH D2005 28.957 34.629 45.039 1.00 47.66 O +HETATM 9278 O HOH D2006 26.618 35.955 44.432 1.00 43.95 O +HETATM 9279 O HOH D2007 25.372 34.365 42.727 1.00 50.71 O +HETATM 9280 O HOH D2008 23.357 40.455 41.596 1.00 30.66 O +HETATM 9281 O HOH D2009 31.078 33.793 43.078 1.00 47.46 O +HETATM 9282 O HOH D2010 36.696 33.061 38.820 1.00 50.81 O +HETATM 9283 O HOH D2011 43.193 38.189 31.833 1.00 59.88 O +HETATM 9284 O HOH D2012 48.061 44.384 22.684 1.00 61.80 O +HETATM 9285 O HOH D2013 44.087 49.382 19.152 1.00 61.51 O +HETATM 9286 O HOH D2014 50.229 53.570 30.989 1.00 54.93 O +HETATM 9287 O HOH D2015 47.346 57.201 27.246 1.00 60.13 O +HETATM 9288 O HOH D2016 50.938 51.580 32.487 1.00 55.08 O +HETATM 9289 O HOH D2017 49.172 53.477 34.149 1.00 67.44 O +HETATM 9290 O HOH D2018 21.839 47.604 46.303 1.00 44.60 O +HETATM 9291 O HOH D2019 20.967 48.474 41.804 1.00 47.32 O +HETATM 9292 O HOH D2020 19.437 42.578 45.607 1.00 54.12 O +HETATM 9293 O HOH D2021 32.700 43.102 28.973 1.00 38.48 O +HETATM 9294 O HOH D2022 46.930 60.368 38.543 1.00116.23 O +HETATM 9295 O HOH D2023 45.069 60.129 26.993 1.00 67.65 O +HETATM 9296 O HOH D2024 27.585 52.131 17.916 1.00 62.24 O +HETATM 9297 O HOH D2025 21.971 49.708 20.685 1.00107.77 O +HETATM 9298 O HOH D2026 25.482 49.964 14.927 1.00 63.78 O +HETATM 9299 O HOH D2027 28.098 42.234 25.051 1.00 40.51 O +HETATM 9300 O HOH D2028 18.234 53.386 26.443 1.00 69.68 O +HETATM 9301 O HOH D2029 26.637 61.046 32.283 1.00 32.58 O +HETATM 9302 O HOH D2030 36.265 58.013 50.052 1.00 60.83 O +HETATM 9303 O HOH D2031 51.540 56.766 41.771 1.00 55.18 O +HETATM 9304 O HOH D2032 57.991 56.546 42.169 1.00 57.55 O +HETATM 9305 O HOH D2033 70.884 54.186 40.022 1.00 67.20 O +HETATM 9306 O HOH D2034 63.869 50.111 33.925 1.00 50.72 O +HETATM 9307 O HOH D2035 67.807 53.289 37.568 1.00 58.82 O +HETATM 9308 O HOH D2036 48.702 47.660 36.398 1.00107.59 O +HETATM 9309 O HOH D2037 44.486 37.050 37.044 1.00 67.96 O +HETATM 9310 O HOH D2038 43.478 34.060 40.532 1.00 62.89 O +HETATM 9311 O HOH D2039 70.487 42.495 41.342 1.00 84.79 O +HETATM 9312 O HOH D2040 66.076 43.390 46.152 1.00 55.35 O +HETATM 9313 O HOH D2041 67.710 46.216 50.687 1.00 69.18 O +HETATM 9314 O HOH D2042 59.527 36.073 56.293 1.00 62.30 O +HETATM 9315 O HOH D2043 52.794 35.402 57.744 1.00 62.65 O +HETATM 9316 O HOH D2044 54.429 36.014 45.915 1.00 65.26 O +HETATM 9317 O HOH D2045 46.499 31.021 45.472 1.00 67.63 O +HETATM 9318 O HOH D2046 47.678 31.137 49.381 1.00 69.89 O +HETATM 9319 O HOH D2047 45.007 32.108 40.077 1.00 69.98 O +HETATM 9320 O HOH D2048 53.709 30.808 36.660 1.00101.90 O +HETATM 9321 O HOH D2049 45.247 33.781 32.954 1.00 59.45 O +HETATM 9322 O HOH D2050 43.119 35.827 34.395 1.00 64.43 O +HETATM 9323 O HOH D2051 51.653 32.830 32.663 1.00 60.24 O +HETATM 9324 O HOH D2052 61.231 49.093 22.332 1.00 62.78 O +HETATM 9325 O HOH D2053 55.839 49.109 30.695 1.00 57.34 O +HETATM 9326 O HOH D2054 61.887 29.102 28.417 1.00 58.80 O +HETATM 9327 O HOH D2055 62.894 29.557 37.604 1.00 67.83 O +HETATM 9328 O HOH D2056 61.979 32.242 38.668 1.00 50.74 O +HETATM 9329 O HOH D2057 63.356 33.396 49.346 1.00109.07 O +CONECT 1267 1277 +CONECT 1277 1267 1278 +CONECT 1278 1277 1279 1286 +CONECT 1279 1278 1280 1281 +CONECT 1280 1279 +CONECT 1281 1279 1282 +CONECT 1282 1281 1283 1284 1285 +CONECT 1283 1282 +CONECT 1284 1282 +CONECT 1285 1282 +CONECT 1286 1278 1287 1288 +CONECT 1287 1286 +CONECT 1288 1286 +CONECT 5740 5750 +CONECT 5750 5740 5751 +CONECT 5751 5750 5752 5759 +CONECT 5752 5751 5753 5754 +CONECT 5753 5752 +CONECT 5754 5752 5755 +CONECT 5755 5754 5756 5757 5758 +CONECT 5756 5755 +CONECT 5757 5755 +CONECT 5758 5755 +CONECT 5759 5751 5760 5761 +CONECT 5760 5759 +CONECT 5761 5759 +CONECT 8947 8960 8967 8968 +CONECT 8948 8964 8965 +CONECT 8949 8950 8962 +CONECT 8950 8949 8951 8955 +CONECT 8951 8950 8952 +CONECT 8952 8951 8953 +CONECT 8953 8952 8954 +CONECT 8954 8953 8955 +CONECT 8955 8950 8954 +CONECT 8956 8957 8970 +CONECT 8957 8956 8958 +CONECT 8958 8957 8959 +CONECT 8959 8958 8969 +CONECT 8960 8947 8961 +CONECT 8961 8960 8962 8963 +CONECT 8962 8949 8961 +CONECT 8963 8961 8964 8966 +CONECT 8964 8948 8963 +CONECT 8965 8948 8966 +CONECT 8966 8963 8965 8967 +CONECT 8967 8947 8966 +CONECT 8968 8947 8969 +CONECT 8969 8959 8968 8970 +CONECT 8970 8956 8969 +CONECT 8971 8984 8991 8992 +CONECT 8972 8988 8989 +CONECT 8973 8974 8986 +CONECT 8974 8973 8975 8979 +CONECT 8975 8974 8976 +CONECT 8976 8975 8977 +CONECT 8977 8976 8978 +CONECT 8978 8977 8979 +CONECT 8979 8974 8978 +CONECT 8980 8981 8994 +CONECT 8981 8980 8982 +CONECT 8982 8981 8983 +CONECT 8983 8982 8993 +CONECT 8984 8971 8985 +CONECT 8985 8984 8986 8987 +CONECT 8986 8973 8985 +CONECT 8987 8985 8988 8990 +CONECT 8988 8972 8987 +CONECT 8989 8972 8990 +CONECT 8990 8987 8989 8991 +CONECT 8991 8971 8990 +CONECT 8992 8971 8993 +CONECT 8993 8983 8992 8994 +CONECT 8994 8980 8993 +MASTER 526 0 4 59 20 0 7 6 9325 4 74 88 +END diff --git a/data/targets/multifidelity_benchmark_E/mapk14_1a9u.pdb b/data/targets/multifidelity_benchmark_E/mapk14_1a9u.pdb new file mode 100644 index 0000000000000000000000000000000000000000..57e56794125d8f0abda36d0fcbbddd471e9ae101 --- /dev/null +++ b/data/targets/multifidelity_benchmark_E/mapk14_1a9u.pdb @@ -0,0 +1,3400 @@ +HEADER TRANSFERASE 10-APR-98 1A9U +TITLE THE COMPLEX STRUCTURE OF THE MAP KINASE P38/SB203580 +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: MAP KINASE P38; +COMPND 3 CHAIN: A; +COMPND 4 SYNONYM: MITOGEN ACTIVATED PROTEIN KINASE; +COMPND 5 EC: 2.7.1.-; +COMPND 6 ENGINEERED: YES; +COMPND 7 MUTATION: YES; +COMPND 8 OTHER_DETAILS: SB203580 PYRIDINYLIMIDAZOLE +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; +SOURCE 3 ORGANISM_COMMON: HUMAN; +SOURCE 4 ORGANISM_TAXID: 9606; +SOURCE 5 CELL_LINE: BL21 (DE3); +SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); +SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; +SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3); +SOURCE 9 EXPRESSION_SYSTEM_CELL_LINE: BL21 (DE3); +SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET15B +KEYWDS TRANSFERASE, MAP KINASE, SERINE/THREONINE-PROTEIN KINASE, P38 +EXPDTA X-RAY DIFFRACTION +AUTHOR Z.WANG,B.CANAGARAJAH,J.C.BOEHM,S.KASSIS,M.H.COBB,P.R.YOUNG,S.ABDEL- +AUTHOR 2 MEGUID,J.L.ADAMS,E.J.GOLDSMITH +REVDAT 5 03-APR-24 1A9U 1 REMARK +REVDAT 4 07-FEB-24 1A9U 1 REMARK +REVDAT 3 24-FEB-09 1A9U 1 VERSN +REVDAT 2 01-APR-03 1A9U 1 JRNL +REVDAT 1 20-APR-99 1A9U 0 +JRNL AUTH Z.WANG,B.J.CANAGARAJAH,J.C.BOEHM,S.KASSISA,M.H.COBB, +JRNL AUTH 2 P.R.YOUNG,S.ABDEL-MEGUID,J.L.ADAMS,E.J.GOLDSMITH +JRNL TITL STRUCTURAL BASIS OF INHIBITOR SELECTIVITY IN MAP KINASES. +JRNL REF STRUCTURE V. 6 1117 1998 +JRNL REFN ISSN 0969-2126 +JRNL PMID 9753691 +JRNL DOI 10.1016/S0969-2126(98)00113-0 +REMARK 1 +REMARK 1 REFERENCE 1 +REMARK 1 AUTH J.RAINGEAUD,S.GUPTA,J.S.ROGERS,M.DICKENS,J.HAN,R.J.ULEVITCH, +REMARK 1 AUTH 2 R.J.DAVIS +REMARK 1 TITL PRO-INFLAMMATORY CYTOKINES AND ENVIRONMENTAL STRESS CAUSE +REMARK 1 TITL 2 P38 MITOGEN-ACTIVATED PROTEIN KINASE ACTIVATION BY DUAL +REMARK 1 TITL 3 PHOSPHORYLATION ON TYROSINE AND THREONINE +REMARK 1 REF J.BIOL.CHEM. V. 270 7420 1995 +REMARK 1 REFN ISSN 0021-9258 +REMARK 1 REFERENCE 2 +REMARK 1 AUTH J.HAN,J.D.LEE,L.BIBBS,R.J.ULEVITCH +REMARK 1 TITL A MAP KINASE TARGETED BY ENDOTOXIN AND HYPEROSMOLARITY IN +REMARK 1 TITL 2 MAMMALIAN CELLS +REMARK 1 REF SCIENCE V. 265 808 1994 +REMARK 1 REFN ISSN 0036-8075 +REMARK 1 REFERENCE 3 +REMARK 1 AUTH J.C.LEE,J.T.LAYDON,P.C.MCDONNELL,T.F.GALLAGHER,S.KUMAR, +REMARK 1 AUTH 2 D.GREEN,D.MCNULTY,M.J.BLUMENTHAL,J.R.HEYS,S.W.LANDVATTER, +REMARK 1 AUTH 3 J.E.STRICKLER,M.M.MCLAUGHLIN,I.R.SIEMENS,S.M.FISHER, +REMARK 1 AUTH 4 G.P.LIVI,J.R.WHITE,J.L.ADAMS,P.R.YOUNG +REMARK 1 TITL A PROTEIN KINASE INVOLVED IN THE REGULATION OF INFLAMMATORY +REMARK 1 TITL 2 CYTOKINE BIOSYNTHESIS +REMARK 1 REF NATURE V. 372 739 1994 +REMARK 1 REFN ISSN 0028-0836 +REMARK 2 +REMARK 2 RESOLUTION. 2.50 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : X-PLOR +REMARK 3 AUTHORS : BRUNGER +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.50 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 20.00 +REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.000 +REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL +REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL +REMARK 3 COMPLETENESS (WORKING+TEST) (%) : NULL +REMARK 3 NUMBER OF REFLECTIONS : 17771 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 CROSS-VALIDATION METHOD : NULL +REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM +REMARK 3 R VALUE (WORKING SET) : 0.182 +REMARK 3 FREE R VALUE : 0.240 +REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.000 +REMARK 3 FREE R VALUE TEST SET COUNT : NULL +REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL +REMARK 3 +REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. +REMARK 3 TOTAL NUMBER OF BINS USED : NULL +REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL +REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL +REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL +REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL +REMARK 3 BIN R VALUE (WORKING SET) : NULL +REMARK 3 BIN FREE R VALUE : NULL +REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL +REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL +REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 2833 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 27 +REMARK 3 SOLVENT ATOMS : 90 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : NULL +REMARK 3 MEAN B VALUE (OVERALL, A**2) : 36.80 +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : NULL +REMARK 3 B22 (A**2) : NULL +REMARK 3 B33 (A**2) : NULL +REMARK 3 B12 (A**2) : NULL +REMARK 3 B13 (A**2) : NULL +REMARK 3 B23 (A**2) : NULL +REMARK 3 +REMARK 3 ESTIMATED COORDINATE ERROR. +REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL +REMARK 3 ESD FROM SIGMAA (A) : NULL +REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL +REMARK 3 +REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. +REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL +REMARK 3 ESD FROM C-V SIGMAA (A) : NULL +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. +REMARK 3 BOND LENGTHS (A) : 0.009 +REMARK 3 BOND ANGLES (DEGREES) : 1.450 +REMARK 3 DIHEDRAL ANGLES (DEGREES) : 25.90 +REMARK 3 IMPROPER ANGLES (DEGREES) : 0.724 +REMARK 3 +REMARK 3 ISOTROPIC THERMAL MODEL : NULL +REMARK 3 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA +REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL +REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL +REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL +REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL +REMARK 3 +REMARK 3 NCS MODEL : NULL +REMARK 3 +REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT +REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL +REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL +REMARK 3 +REMARK 3 PARAMETER FILE 1 : PARHCSDX.PRO +REMARK 3 PARAMETER FILE 2 : PARAM19.SOL +REMARK 3 PARAMETER FILE 3 : SB1.PAR +REMARK 3 PARAMETER FILE 4 : NULL +REMARK 3 TOPOLOGY FILE 1 : TOPHCSDX.PRO +REMARK 3 TOPOLOGY FILE 2 : TOPH19.SOL +REMARK 3 TOPOLOGY FILE 3 : SB1.TOP +REMARK 3 TOPOLOGY FILE 4 : NULL +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: NULL +REMARK 4 +REMARK 4 1A9U COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. +REMARK 100 THE DEPOSITION ID IS D_1000170572. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : 06-NOV-96 +REMARK 200 TEMPERATURE (KELVIN) : 100 +REMARK 200 PH : 7.4 +REMARK 200 NUMBER OF CRYSTALS USED : 1 +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : N +REMARK 200 RADIATION SOURCE : ROTATING ANODE +REMARK 200 BEAMLINE : NULL +REMARK 200 X-RAY GENERATOR MODEL : RIGAKU RUH3R +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 +REMARK 200 MONOCHROMATOR : NULL +REMARK 200 OPTICS : MIRRORS +REMARK 200 +REMARK 200 DETECTOR TYPE : IMAGE PLATE +REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS IIC +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO +REMARK 200 DATA SCALING SOFTWARE : SCALEPACK +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 19984 +REMARK 200 RESOLUTION RANGE HIGH (A) : 2.400 +REMARK 200 RESOLUTION RANGE LOW (A) : 37.300 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 92.4 +REMARK 200 DATA REDUNDANCY : 11.40 +REMARK 200 R MERGE (I) : NULL +REMARK 200 R SYM (I) : 0.04200 +REMARK 200 FOR THE DATA SET : 20.0000 +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.40 +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.50 +REMARK 200 COMPLETENESS FOR SHELL (%) : 65.6 +REMARK 200 DATA REDUNDANCY IN SHELL : NULL +REMARK 200 R MERGE FOR SHELL (I) : 0.24200 +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 FOR SHELL : 5.300 +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: NULL +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT +REMARK 200 SOFTWARE USED: AMORE +REMARK 200 STARTING MODEL: MAP KINASE P38 +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 58.00 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.92 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: PH 7.4 +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -X+1/2,-Y,Z+1/2 +REMARK 290 3555 -X,Y+1/2,-Z+1/2 +REMARK 290 4555 X+1/2,-Y+1/2,-Z +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 22.74000 +REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 61.56500 +REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 42.51500 +REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 61.56500 +REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 22.74000 +REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 42.51500 +REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 465 +REMARK 465 MISSING RESIDUES +REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE +REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) +REMARK 465 +REMARK 465 M RES C SSSEQI +REMARK 465 GLY A -18 +REMARK 465 SER A -17 +REMARK 465 SER A -16 +REMARK 465 HIS A -15 +REMARK 465 HIS A -14 +REMARK 465 HIS A -13 +REMARK 465 HIS A -12 +REMARK 465 HIS A -11 +REMARK 465 HIS A -10 +REMARK 465 SER A -9 +REMARK 465 SER A -8 +REMARK 465 GLY A -7 +REMARK 465 LEU A -6 +REMARK 465 VAL A -5 +REMARK 465 PRO A -4 +REMARK 465 ARG A -3 +REMARK 465 GLY A -2 +REMARK 465 SER A -1 +REMARK 465 HIS A 0 +REMARK 465 MET A 1 +REMARK 465 SER A 2 +REMARK 465 GLN A 3 +REMARK 465 GLN A 355 +REMARK 465 GLU A 356 +REMARK 465 GLU A 357 +REMARK 465 MET A 358 +REMARK 465 GLU A 359 +REMARK 465 SER A 360 +REMARK 475 +REMARK 475 ZERO OCCUPANCY RESIDUES +REMARK 475 THE FOLLOWING RESIDUES WERE MODELED WITH ZERO OCCUPANCY. +REMARK 475 THE LOCATION AND PROPERTIES OF THESE RESIDUES MAY NOT +REMARK 475 BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; +REMARK 475 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE) +REMARK 475 M RES C SSEQI +REMARK 475 GLU A 4 +REMARK 475 ALA A 172 +REMARK 475 ARG A 173 +REMARK 475 HIS A 174 +REMARK 475 THR A 175 +REMARK 475 ASP A 176 +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 ARG A 5 71.41 59.82 +REMARK 500 SER A 56 -85.85 -33.39 +REMARK 500 MET A 78 101.59 -59.91 +REMARK 500 GLN A 120 -175.60 152.13 +REMARK 500 ARG A 149 -12.91 77.60 +REMARK 500 ASP A 150 48.55 -140.63 +REMARK 500 LEU A 167 -166.13 -114.41 +REMARK 500 ASP A 168 87.83 12.94 +REMARK 500 LEU A 171 93.48 -48.81 +REMARK 500 ALA A 172 -82.72 165.77 +REMARK 500 HIS A 174 132.03 -39.15 +REMARK 500 ASP A 177 -51.40 76.08 +REMARK 500 ASN A 201 -165.67 -113.38 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 800 +REMARK 800 SITE +REMARK 800 SITE_IDENTIFIER: AC1 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SB2 A 800 +DBREF 1A9U A 1 360 UNP Q16539 MK14_HUMAN 1 360 +SEQRES 1 A 379 GLY SER SER HIS HIS HIS HIS HIS HIS SER SER GLY LEU +SEQRES 2 A 379 VAL PRO ARG GLY SER HIS MET SER GLN GLU ARG PRO THR +SEQRES 3 A 379 PHE TYR ARG GLN GLU LEU ASN LYS THR ILE TRP GLU VAL +SEQRES 4 A 379 PRO GLU ARG TYR GLN ASN LEU SER PRO VAL GLY SER GLY +SEQRES 5 A 379 ALA TYR GLY SER VAL CYS ALA ALA PHE ASP THR LYS THR +SEQRES 6 A 379 GLY LEU ARG VAL ALA VAL LYS LYS LEU SER ARG PRO PHE +SEQRES 7 A 379 GLN SER ILE ILE HIS ALA LYS ARG THR TYR ARG GLU LEU +SEQRES 8 A 379 ARG LEU LEU LYS HIS MET LYS HIS GLU ASN VAL ILE GLY +SEQRES 9 A 379 LEU LEU ASP VAL PHE THR PRO ALA ARG SER LEU GLU GLU +SEQRES 10 A 379 PHE ASN ASP VAL TYR LEU VAL THR HIS LEU MET GLY ALA +SEQRES 11 A 379 ASP LEU ASN ASN ILE VAL LYS CYS GLN LYS LEU THR ASP +SEQRES 12 A 379 ASP HIS VAL GLN PHE LEU ILE TYR GLN ILE LEU ARG GLY +SEQRES 13 A 379 LEU LYS TYR ILE HIS SER ALA ASP ILE ILE HIS ARG ASP +SEQRES 14 A 379 LEU LYS PRO SER ASN LEU ALA VAL ASN GLU ASP CYS GLU +SEQRES 15 A 379 LEU LYS ILE LEU ASP PHE GLY LEU ALA ARG HIS THR ASP +SEQRES 16 A 379 ASP GLU MET THR GLY TYR VAL ALA THR ARG TRP TYR ARG +SEQRES 17 A 379 ALA PRO GLU ILE MET LEU ASN TRP MET HIS TYR ASN GLN +SEQRES 18 A 379 THR VAL ASP ILE TRP SER VAL GLY CYS ILE MET ALA GLU +SEQRES 19 A 379 LEU LEU THR GLY ARG THR LEU PHE PRO GLY THR ASP HIS +SEQRES 20 A 379 ILE ASP GLN LEU LYS LEU ILE LEU ARG LEU VAL GLY THR +SEQRES 21 A 379 PRO GLY ALA GLU LEU LEU LYS LYS ILE SER SER GLU SER +SEQRES 22 A 379 ALA ARG ASN TYR ILE GLN SER LEU THR GLN MET PRO LYS +SEQRES 23 A 379 MET ASN PHE ALA ASN VAL PHE ILE GLY ALA ASN PRO LEU +SEQRES 24 A 379 ALA VAL ASP LEU LEU GLU LYS MET LEU VAL LEU ASP SER +SEQRES 25 A 379 ASP LYS ARG ILE THR ALA ALA GLN ALA LEU ALA HIS ALA +SEQRES 26 A 379 TYR PHE ALA GLN TYR HIS ASP PRO ASP ASP GLU PRO VAL +SEQRES 27 A 379 ALA ASP PRO TYR ASP GLN SER PHE GLU SER ARG ASP LEU +SEQRES 28 A 379 LEU ILE ASP GLU TRP LYS SER LEU THR TYR ASP GLU VAL +SEQRES 29 A 379 ILE SER PHE VAL PRO PRO PRO LEU ASP GLN GLU GLU MET +SEQRES 30 A 379 GLU SER +HET SB2 A 800 27 +HETNAM SB2 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H- +HETNAM 2 SB2 IMIDAZOL-4-YL]-PYRIDINE +FORMUL 2 SB2 C21 H16 F N3 O S +FORMUL 3 HOH *90(H2 O) +HELIX 1 1 ILE A 62 HIS A 77 1 16 +HELIX 2 2 LEU A 113 CYS A 119 1 7 +HELIX 3 3 ASP A 124 ALA A 144 1 21 +HELIX 4 4 PRO A 153 ASN A 155 5 3 +HELIX 5 5 ALA A 184 TYR A 188 1 5 +HELIX 6 6 PRO A 191 MET A 194 1 4 +HELIX 7 7 GLN A 202 THR A 218 5 17 +HELIX 8 8 HIS A 228 VAL A 239 1 12 +HELIX 9 9 ALA A 244 LYS A 249 1 6 +HELIX 10 10 GLU A 253 SER A 261 1 9 +HELIX 11 11 PHE A 270 ASN A 272 5 3 +HELIX 12 12 PRO A 279 MET A 288 1 10 +HELIX 13 13 SER A 293 LYS A 295 5 3 +HELIX 14 14 ALA A 299 LEU A 303 1 5 +HELIX 15 15 ALA A 306 PHE A 308 5 3 +HELIX 16 16 PRO A 314 ASP A 316 5 3 +HELIX 17 17 SER A 326 SER A 329 5 4 +HELIX 18 18 ILE A 334 ILE A 346 1 13 +SHEET 1 A 2 PHE A 8 LEU A 13 0 +SHEET 2 A 2 THR A 16 PRO A 21 -1 N VAL A 20 O TYR A 9 +SHEET 1 B 5 ASP A 88 PHE A 90 0 +SHEET 2 B 5 TYR A 103 HIS A 107 -1 N VAL A 105 O ASP A 88 +SHEET 3 B 5 ARG A 49 LEU A 55 -1 N LYS A 53 O LEU A 104 +SHEET 4 B 5 GLY A 36 PHE A 42 -1 N ALA A 41 O VAL A 50 +SHEET 5 B 5 SER A 28 GLY A 31 -1 N GLY A 31 O VAL A 38 +SHEET 1 C 2 LEU A 156 VAL A 158 0 +SHEET 2 C 2 LEU A 164 ILE A 166 -1 N LYS A 165 O ALA A 157 +SITE 1 AC1 9 TYR A 35 ALA A 51 LYS A 53 LEU A 86 +SITE 2 AC1 9 LEU A 104 VAL A 105 THR A 106 HIS A 107 +SITE 3 AC1 9 MET A 109 +CRYST1 45.480 85.030 123.130 90.00 90.00 90.00 P 21 21 21 4 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.021988 0.000000 0.000000 0.00000 +SCALE2 0.000000 0.011761 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.008121 0.00000 +ATOM 1 N GLU A 4 24.643 4.560 26.403 0.00 92.47 N +ATOM 2 CA GLU A 4 23.481 4.689 25.477 0.00 91.94 C +ATOM 3 C GLU A 4 23.878 4.469 23.998 0.00 88.76 C +ATOM 4 O GLU A 4 24.602 3.525 23.662 0.00 90.39 O +ATOM 5 CB GLU A 4 22.828 6.079 25.652 0.00 94.83 C +ATOM 6 CG GLU A 4 21.488 6.067 26.406 0.00 97.82 C +ATOM 7 CD GLU A 4 21.123 7.413 27.028 0.00 99.33 C +ATOM 8 OE1 GLU A 4 21.901 7.908 27.869 0.00 98.99 O +ATOM 9 OE2 GLU A 4 20.055 7.972 26.681 0.00 99.68 O +ATOM 10 N ARG A 5 23.381 5.351 23.135 1.00 82.66 N +ATOM 11 CA ARG A 5 23.633 5.335 21.693 1.00 73.88 C +ATOM 12 C ARG A 5 23.220 4.114 20.891 1.00 67.08 C +ATOM 13 O ARG A 5 24.064 3.340 20.440 1.00 65.98 O +ATOM 14 CB ARG A 5 25.097 5.646 21.376 1.00 74.15 C +ATOM 15 CG ARG A 5 25.263 6.353 20.024 1.00 74.66 C +ATOM 16 CD ARG A 5 24.576 7.722 20.027 1.00 75.22 C +ATOM 17 NE ARG A 5 23.910 8.029 18.765 1.00 73.26 N +ATOM 18 CZ ARG A 5 23.094 9.062 18.585 1.00 73.82 C +ATOM 19 NH1 ARG A 5 22.838 9.897 19.583 1.00 71.79 N +ATOM 20 NH2 ARG A 5 22.536 9.266 17.399 1.00 73.86 N +ATOM 21 N PRO A 6 21.902 3.931 20.708 1.00 60.29 N +ATOM 22 CA PRO A 6 21.390 2.798 19.946 1.00 53.16 C +ATOM 23 C PRO A 6 21.171 3.307 18.530 1.00 47.42 C +ATOM 24 O PRO A 6 21.615 4.400 18.179 1.00 42.39 O +ATOM 25 CB PRO A 6 20.076 2.480 20.638 1.00 55.94 C +ATOM 26 CG PRO A 6 19.603 3.813 21.177 1.00 55.83 C +ATOM 27 CD PRO A 6 20.796 4.751 21.240 1.00 59.56 C +ATOM 28 N THR A 7 20.488 2.518 17.709 1.00 42.39 N +ATOM 29 CA THR A 7 20.221 2.955 16.357 1.00 36.83 C +ATOM 30 C THR A 7 18.905 3.697 16.370 1.00 34.22 C +ATOM 31 O THR A 7 17.899 3.216 16.893 1.00 30.63 O +ATOM 32 CB THR A 7 20.139 1.779 15.372 1.00 36.99 C +ATOM 33 OG1 THR A 7 21.426 1.166 15.265 1.00 38.30 O +ATOM 34 CG2 THR A 7 19.713 2.263 13.985 1.00 31.12 C +ATOM 35 N PHE A 8 18.938 4.896 15.815 1.00 32.36 N +ATOM 36 CA PHE A 8 17.763 5.742 15.735 1.00 31.52 C +ATOM 37 C PHE A 8 17.195 5.609 14.336 1.00 30.51 C +ATOM 38 O PHE A 8 17.940 5.515 13.373 1.00 31.34 O +ATOM 39 CB PHE A 8 18.146 7.210 15.938 1.00 31.36 C +ATOM 40 CG PHE A 8 18.371 7.597 17.365 1.00 31.67 C +ATOM 41 CD1 PHE A 8 19.477 7.132 18.063 1.00 28.81 C +ATOM 42 CD2 PHE A 8 17.486 8.467 18.004 1.00 31.87 C +ATOM 43 CE1 PHE A 8 19.703 7.529 19.373 1.00 28.97 C +ATOM 44 CE2 PHE A 8 17.706 8.869 19.314 1.00 31.87 C +ATOM 45 CZ PHE A 8 18.817 8.399 20.001 1.00 30.24 C +ATOM 46 N TYR A 9 15.881 5.594 14.212 1.00 28.28 N +ATOM 47 CA TYR A 9 15.291 5.542 12.894 1.00 29.48 C +ATOM 48 C TYR A 9 14.371 6.749 12.867 1.00 32.09 C +ATOM 49 O TYR A 9 13.885 7.183 13.906 1.00 32.28 O +ATOM 50 CB TYR A 9 14.538 4.218 12.663 1.00 25.02 C +ATOM 51 CG TYR A 9 13.246 4.011 13.442 1.00 24.29 C +ATOM 52 CD1 TYR A 9 13.257 3.661 14.799 1.00 19.53 C +ATOM 53 CD2 TYR A 9 12.013 4.094 12.799 1.00 24.01 C +ATOM 54 CE1 TYR A 9 12.066 3.393 15.483 1.00 20.25 C +ATOM 55 CE2 TYR A 9 10.823 3.827 13.476 1.00 23.28 C +ATOM 56 CZ TYR A 9 10.853 3.477 14.808 1.00 22.28 C +ATOM 57 OH TYR A 9 9.656 3.199 15.442 1.00 23.79 O +ATOM 58 N ARG A 10 14.143 7.313 11.695 1.00 34.62 N +ATOM 59 CA ARG A 10 13.303 8.486 11.631 1.00 40.07 C +ATOM 60 C ARG A 10 12.089 8.319 10.733 1.00 41.12 C +ATOM 61 O ARG A 10 12.102 7.533 9.796 1.00 41.94 O +ATOM 62 CB ARG A 10 14.159 9.685 11.203 1.00 44.87 C +ATOM 63 CG ARG A 10 13.658 10.460 10.017 1.00 50.98 C +ATOM 64 CD ARG A 10 14.818 11.152 9.325 1.00 60.29 C +ATOM 65 NE ARG A 10 15.315 12.293 10.088 1.00 65.92 N +ATOM 66 CZ ARG A 10 15.347 13.544 9.632 1.00 71.06 C +ATOM 67 NH1 ARG A 10 14.908 13.827 8.407 1.00 70.66 N +ATOM 68 NH2 ARG A 10 15.818 14.518 10.407 1.00 73.43 N +ATOM 69 N GLN A 11 11.035 9.062 11.042 1.00 42.96 N +ATOM 70 CA GLN A 11 9.804 9.015 10.272 1.00 45.80 C +ATOM 71 C GLN A 11 9.029 10.308 10.471 1.00 49.09 C +ATOM 72 O GLN A 11 9.335 11.082 11.371 1.00 49.02 O +ATOM 73 CB GLN A 11 8.944 7.842 10.723 1.00 44.17 C +ATOM 74 CG GLN A 11 8.294 8.045 12.066 1.00 45.16 C +ATOM 75 CD GLN A 11 7.684 6.773 12.597 1.00 47.43 C +ATOM 76 OE1 GLN A 11 6.627 6.346 12.136 1.00 51.29 O +ATOM 77 NE2 GLN A 11 8.352 6.149 13.567 1.00 47.47 N +ATOM 78 N GLU A 12 8.028 10.538 9.629 1.00 52.90 N +ATOM 79 CA GLU A 12 7.205 11.737 9.731 1.00 56.34 C +ATOM 80 C GLU A 12 5.752 11.350 9.952 1.00 57.43 C +ATOM 81 O GLU A 12 5.124 10.750 9.086 1.00 59.64 O +ATOM 82 CB GLU A 12 7.325 12.583 8.458 1.00 58.98 C +ATOM 83 CG GLU A 12 6.385 13.778 8.422 1.00 62.99 C +ATOM 84 CD GLU A 12 6.672 14.715 7.271 1.00 67.26 C +ATOM 85 OE1 GLU A 12 7.260 14.263 6.265 1.00 69.61 O +ATOM 86 OE2 GLU A 12 6.310 15.907 7.370 1.00 69.59 O +ATOM 87 N LEU A 13 5.227 11.693 11.121 1.00 58.85 N +ATOM 88 CA LEU A 13 3.847 11.390 11.461 1.00 61.53 C +ATOM 89 C LEU A 13 3.140 12.691 11.835 1.00 64.66 C +ATOM 90 O LEU A 13 3.498 13.341 12.824 1.00 65.95 O +ATOM 91 CB LEU A 13 3.808 10.398 12.628 1.00 63.24 C +ATOM 92 CG LEU A 13 4.813 9.232 12.588 1.00 65.04 C +ATOM 93 CD1 LEU A 13 4.741 8.466 13.904 1.00 64.36 C +ATOM 94 CD2 LEU A 13 4.530 8.303 11.400 1.00 61.20 C +ATOM 95 N ASN A 14 2.134 13.059 11.041 1.00 65.91 N +ATOM 96 CA ASN A 14 1.378 14.295 11.248 1.00 66.17 C +ATOM 97 C ASN A 14 2.289 15.489 10.987 1.00 66.45 C +ATOM 98 O ASN A 14 2.217 16.501 11.685 1.00 66.49 O +ATOM 99 CB ASN A 14 0.827 14.376 12.673 1.00 67.32 C +ATOM 100 CG ASN A 14 -0.534 13.738 12.803 1.00 67.69 C +ATOM 101 OD1 ASN A 14 -0.784 12.678 12.232 1.00 70.11 O +ATOM 102 ND2 ASN A 14 -1.422 14.371 13.561 1.00 65.02 N +ATOM 103 N LYS A 15 3.147 15.355 9.979 1.00 66.46 N +ATOM 104 CA LYS A 15 4.092 16.402 9.597 1.00 66.38 C +ATOM 105 C LYS A 15 5.106 16.716 10.703 1.00 63.77 C +ATOM 106 O LYS A 15 5.686 17.796 10.735 1.00 61.94 O +ATOM 107 CB LYS A 15 3.337 17.677 9.198 1.00 69.75 C +ATOM 108 CG LYS A 15 2.621 17.602 7.847 1.00 73.07 C +ATOM 109 CD LYS A 15 1.179 17.106 7.983 1.00 76.15 C +ATOM 110 CE LYS A 15 0.325 18.055 8.822 1.00 77.46 C +ATOM 111 NZ LYS A 15 -0.308 17.375 9.995 1.00 78.35 N +ATOM 112 N THR A 16 5.320 15.762 11.605 1.00 61.91 N +ATOM 113 CA THR A 16 6.273 15.926 12.704 1.00 57.78 C +ATOM 114 C THR A 16 7.361 14.886 12.524 1.00 52.53 C +ATOM 115 O THR A 16 7.062 13.706 12.425 1.00 51.83 O +ATOM 116 CB THR A 16 5.628 15.664 14.073 1.00 59.18 C +ATOM 117 OG1 THR A 16 4.453 16.467 14.220 1.00 63.21 O +ATOM 118 CG2 THR A 16 6.608 15.984 15.179 1.00 59.15 C +ATOM 119 N ILE A 17 8.614 15.312 12.470 1.00 47.39 N +ATOM 120 CA ILE A 17 9.695 14.357 12.314 1.00 45.76 C +ATOM 121 C ILE A 17 10.003 13.746 13.676 1.00 45.59 C +ATOM 122 O ILE A 17 10.084 14.451 14.678 1.00 47.41 O +ATOM 123 CB ILE A 17 10.986 15.019 11.762 1.00 45.68 C +ATOM 124 CG1 ILE A 17 10.943 15.088 10.232 1.00 47.57 C +ATOM 125 CG2 ILE A 17 12.217 14.218 12.188 1.00 45.13 C +ATOM 126 CD1 ILE A 17 9.732 14.433 9.576 1.00 50.71 C +ATOM 127 N TRP A 18 10.160 12.428 13.706 1.00 42.36 N +ATOM 128 CA TRP A 18 10.488 11.721 14.934 1.00 37.97 C +ATOM 129 C TRP A 18 11.721 10.865 14.667 1.00 36.67 C +ATOM 130 O TRP A 18 11.717 10.023 13.777 1.00 37.53 O +ATOM 131 CB TRP A 18 9.324 10.824 15.377 1.00 37.58 C +ATOM 132 CG TRP A 18 8.141 11.578 15.940 1.00 41.03 C +ATOM 133 CD1 TRP A 18 7.200 12.286 15.229 1.00 43.28 C +ATOM 134 CD2 TRP A 18 7.765 11.698 17.326 1.00 39.74 C +ATOM 135 NE1 TRP A 18 6.272 12.833 16.085 1.00 42.95 N +ATOM 136 CE2 TRP A 18 6.591 12.489 17.375 1.00 42.84 C +ATOM 137 CE3 TRP A 18 8.301 11.214 18.525 1.00 36.01 C +ATOM 138 CZ2 TRP A 18 5.947 12.807 18.588 1.00 39.27 C +ATOM 139 CZ3 TRP A 18 7.657 11.531 19.724 1.00 35.84 C +ATOM 140 CH2 TRP A 18 6.494 12.317 19.742 1.00 35.06 C +ATOM 141 N GLU A 19 12.788 11.108 15.420 1.00 34.38 N +ATOM 142 CA GLU A 19 14.009 10.333 15.288 1.00 32.10 C +ATOM 143 C GLU A 19 14.205 9.629 16.626 1.00 31.84 C +ATOM 144 O GLU A 19 14.763 10.180 17.571 1.00 30.61 O +ATOM 145 CB GLU A 19 15.178 11.242 14.987 1.00 34.83 C +ATOM 146 CG GLU A 19 16.301 10.516 14.322 1.00 41.70 C +ATOM 147 CD GLU A 19 17.249 11.458 13.630 1.00 46.80 C +ATOM 148 OE1 GLU A 19 16.801 12.584 13.272 1.00 46.21 O +ATOM 149 OE2 GLU A 19 18.432 11.063 13.455 1.00 45.98 O +ATOM 150 N VAL A 20 13.729 8.395 16.697 1.00 28.91 N +ATOM 151 CA VAL A 20 13.795 7.639 17.925 1.00 26.47 C +ATOM 152 C VAL A 20 14.552 6.317 17.779 1.00 26.95 C +ATOM 153 O VAL A 20 14.713 5.808 16.674 1.00 28.86 O +ATOM 154 CB VAL A 20 12.349 7.357 18.426 1.00 24.52 C +ATOM 155 CG1 VAL A 20 11.529 8.640 18.399 1.00 20.56 C +ATOM 156 CG2 VAL A 20 11.689 6.301 17.555 1.00 23.59 C +ATOM 157 N PRO A 21 15.075 5.775 18.899 1.00 25.08 N +ATOM 158 CA PRO A 21 15.802 4.499 18.860 1.00 25.60 C +ATOM 159 C PRO A 21 14.828 3.402 18.411 1.00 26.23 C +ATOM 160 O PRO A 21 13.619 3.547 18.577 1.00 26.10 O +ATOM 161 CB PRO A 21 16.246 4.296 20.310 1.00 23.60 C +ATOM 162 CG PRO A 21 16.203 5.640 20.920 1.00 20.68 C +ATOM 163 CD PRO A 21 15.079 6.349 20.254 1.00 25.19 C +ATOM 164 N GLU A 22 15.352 2.310 17.856 1.00 26.06 N +ATOM 165 CA GLU A 22 14.512 1.213 17.378 1.00 23.58 C +ATOM 166 C GLU A 22 13.692 0.500 18.441 1.00 23.84 C +ATOM 167 O GLU A 22 12.733 -0.195 18.115 1.00 24.41 O +ATOM 168 CB GLU A 22 15.357 0.177 16.668 1.00 25.23 C +ATOM 169 CG GLU A 22 16.568 0.718 15.978 1.00 28.24 C +ATOM 170 CD GLU A 22 17.418 -0.398 15.433 1.00 32.26 C +ATOM 171 OE1 GLU A 22 18.155 -1.020 16.241 1.00 32.36 O +ATOM 172 OE2 GLU A 22 17.330 -0.653 14.205 1.00 31.75 O +ATOM 173 N ARG A 23 14.067 0.644 19.707 1.00 22.85 N +ATOM 174 CA ARG A 23 13.314 -0.016 20.766 1.00 23.02 C +ATOM 175 C ARG A 23 11.860 0.442 20.785 1.00 24.04 C +ATOM 176 O ARG A 23 10.977 -0.310 21.175 1.00 24.40 O +ATOM 177 CB ARG A 23 13.950 0.259 22.124 1.00 21.59 C +ATOM 178 CG ARG A 23 13.873 1.694 22.560 1.00 18.64 C +ATOM 179 CD ARG A 23 14.584 1.852 23.863 1.00 20.35 C +ATOM 180 NE ARG A 23 13.784 1.402 24.997 1.00 21.20 N +ATOM 181 CZ ARG A 23 14.116 1.646 26.263 1.00 25.75 C +ATOM 182 NH1 ARG A 23 15.225 2.326 26.518 1.00 23.27 N +ATOM 183 NH2 ARG A 23 13.342 1.241 27.268 1.00 24.94 N +ATOM 184 N TYR A 24 11.619 1.685 20.376 1.00 24.95 N +ATOM 185 CA TYR A 24 10.266 2.236 20.335 1.00 24.95 C +ATOM 186 C TYR A 24 9.628 1.959 18.992 1.00 25.17 C +ATOM 187 O TYR A 24 10.046 2.477 17.949 1.00 21.10 O +ATOM 188 CB TYR A 24 10.295 3.731 20.605 1.00 23.29 C +ATOM 189 CG TYR A 24 10.910 4.032 21.938 1.00 22.32 C +ATOM 190 CD1 TYR A 24 10.333 3.553 23.110 1.00 21.04 C +ATOM 191 CD2 TYR A 24 12.097 4.749 22.029 1.00 19.63 C +ATOM 192 CE1 TYR A 24 10.926 3.778 24.338 1.00 22.58 C +ATOM 193 CE2 TYR A 24 12.700 4.981 23.250 1.00 18.51 C +ATOM 194 CZ TYR A 24 12.112 4.493 24.399 1.00 20.28 C +ATOM 195 OH TYR A 24 12.711 4.718 25.611 1.00 24.02 O +ATOM 196 N GLN A 25 8.591 1.141 19.034 1.00 25.63 N +ATOM 197 CA GLN A 25 7.913 0.734 17.832 1.00 28.64 C +ATOM 198 C GLN A 25 6.443 1.124 17.781 1.00 33.27 C +ATOM 199 O GLN A 25 5.821 1.461 18.810 1.00 33.80 O +ATOM 200 CB GLN A 25 8.056 -0.784 17.702 1.00 26.91 C +ATOM 201 CG GLN A 25 9.479 -1.233 17.409 1.00 23.89 C +ATOM 202 CD GLN A 25 9.951 -0.755 16.045 1.00 21.58 C +ATOM 203 OE1 GLN A 25 9.220 -0.848 15.055 1.00 23.62 O +ATOM 204 NE2 GLN A 25 11.172 -0.234 15.986 1.00 19.49 N +ATOM 205 N ASN A 26 5.900 1.085 16.566 1.00 34.85 N +ATOM 206 CA ASN A 26 4.499 1.369 16.330 1.00 38.83 C +ATOM 207 C ASN A 26 4.056 2.644 17.022 1.00 38.34 C +ATOM 208 O ASN A 26 3.229 2.617 17.932 1.00 37.95 O +ATOM 209 CB ASN A 26 3.656 0.167 16.804 1.00 43.38 C +ATOM 210 CG ASN A 26 4.194 -1.188 16.271 1.00 47.10 C +ATOM 211 OD1 ASN A 26 4.710 -1.276 15.144 1.00 45.05 O +ATOM 212 ND2 ASN A 26 4.075 -2.238 17.087 1.00 45.13 N +ATOM 213 N LEU A 27 4.633 3.756 16.572 1.00 38.80 N +ATOM 214 CA LEU A 27 4.325 5.079 17.103 1.00 37.76 C +ATOM 215 C LEU A 27 3.060 5.623 16.456 1.00 39.18 C +ATOM 216 O LEU A 27 2.940 5.634 15.229 1.00 38.21 O +ATOM 217 CB LEU A 27 5.467 6.052 16.796 1.00 35.39 C +ATOM 218 CG LEU A 27 6.756 5.994 17.608 1.00 33.93 C +ATOM 219 CD1 LEU A 27 7.492 4.704 17.315 1.00 36.45 C +ATOM 220 CD2 LEU A 27 7.616 7.194 17.252 1.00 30.49 C +ATOM 221 N SER A 28 2.125 6.096 17.272 1.00 40.79 N +ATOM 222 CA SER A 28 0.886 6.662 16.743 1.00 41.76 C +ATOM 223 C SER A 28 0.596 7.992 17.432 1.00 41.86 C +ATOM 224 O SER A 28 0.510 8.057 18.657 1.00 41.26 O +ATOM 225 CB SER A 28 -0.290 5.698 16.953 1.00 41.43 C +ATOM 226 OG SER A 28 -0.205 5.033 18.198 1.00 41.91 O +ATOM 227 N PRO A 29 0.487 9.080 16.652 1.00 43.56 N +ATOM 228 CA PRO A 29 0.204 10.381 17.257 1.00 42.94 C +ATOM 229 C PRO A 29 -0.891 10.239 18.309 1.00 43.54 C +ATOM 230 O PRO A 29 -1.835 9.473 18.128 1.00 44.35 O +ATOM 231 CB PRO A 29 -0.211 11.235 16.061 1.00 43.07 C +ATOM 232 CG PRO A 29 0.599 10.671 14.926 1.00 41.24 C +ATOM 233 CD PRO A 29 0.637 9.180 15.185 1.00 43.34 C +ATOM 234 N VAL A 30 -0.754 10.968 19.411 1.00 43.87 N +ATOM 235 CA VAL A 30 -1.731 10.898 20.489 1.00 42.81 C +ATOM 236 C VAL A 30 -1.960 12.288 21.119 1.00 45.53 C +ATOM 237 O VAL A 30 -2.721 12.437 22.075 1.00 46.10 O +ATOM 238 CB VAL A 30 -1.268 9.831 21.537 1.00 40.72 C +ATOM 239 CG1 VAL A 30 -0.962 10.464 22.874 1.00 39.55 C +ATOM 240 CG2 VAL A 30 -2.317 8.747 21.668 1.00 40.61 C +ATOM 241 N GLY A 31 -1.328 13.309 20.540 1.00 47.10 N +ATOM 242 CA GLY A 31 -1.470 14.660 21.051 1.00 46.27 C +ATOM 243 C GLY A 31 -0.422 15.635 20.538 1.00 48.73 C +ATOM 244 O GLY A 31 0.710 15.254 20.244 1.00 46.58 O +ATOM 245 N SER A 32 -0.806 16.904 20.431 1.00 53.03 N +ATOM 246 CA SER A 32 0.111 17.945 19.961 1.00 56.14 C +ATOM 247 C SER A 32 -0.172 19.302 20.602 1.00 57.86 C +ATOM 248 O SER A 32 -1.123 19.452 21.373 1.00 58.36 O +ATOM 249 CB SER A 32 0.048 18.081 18.441 1.00 54.78 C +ATOM 250 OG SER A 32 1.285 18.559 17.940 1.00 55.77 O +ATOM 251 N GLY A 33 0.665 20.282 20.276 1.00 59.96 N +ATOM 252 CA GLY A 33 0.496 21.612 20.831 1.00 62.91 C +ATOM 253 C GLY A 33 1.774 22.435 20.822 1.00 65.12 C +ATOM 254 O GLY A 33 2.776 22.041 20.220 1.00 65.23 O +ATOM 255 N ALA A 34 1.737 23.584 21.490 1.00 67.56 N +ATOM 256 CA ALA A 34 2.898 24.471 21.548 1.00 69.27 C +ATOM 257 C ALA A 34 4.121 23.789 22.176 1.00 70.48 C +ATOM 258 O ALA A 34 5.257 23.992 21.727 1.00 70.19 O +ATOM 259 CB ALA A 34 2.543 25.720 22.325 1.00 67.58 C +ATOM 260 N TYR A 35 3.877 22.982 23.208 1.00 70.57 N +ATOM 261 CA TYR A 35 4.932 22.262 23.935 1.00 71.12 C +ATOM 262 C TYR A 35 5.719 21.257 23.084 1.00 68.30 C +ATOM 263 O TYR A 35 6.898 21.005 23.346 1.00 67.53 O +ATOM 264 CB TYR A 35 4.317 21.513 25.119 1.00 74.67 C +ATOM 265 CG TYR A 35 3.327 20.450 24.695 1.00 80.34 C +ATOM 266 CD1 TYR A 35 1.997 20.776 24.411 1.00 82.07 C +ATOM 267 CD2 TYR A 35 3.714 19.111 24.585 1.00 82.34 C +ATOM 268 CE1 TYR A 35 1.074 19.788 24.031 1.00 83.26 C +ATOM 269 CE2 TYR A 35 2.799 18.118 24.206 1.00 82.71 C +ATOM 270 CZ TYR A 35 1.485 18.463 23.933 1.00 82.98 C +ATOM 271 OH TYR A 35 0.583 17.489 23.572 1.00 82.06 O +ATOM 272 N GLY A 36 5.047 20.689 22.080 1.00 64.80 N +ATOM 273 CA GLY A 36 5.640 19.696 21.194 1.00 59.39 C +ATOM 274 C GLY A 36 4.554 18.701 20.812 1.00 55.21 C +ATOM 275 O GLY A 36 3.410 19.102 20.611 1.00 56.82 O +ATOM 276 N SER A 37 4.885 17.417 20.702 1.00 50.88 N +ATOM 277 CA SER A 37 3.886 16.401 20.359 1.00 45.78 C +ATOM 278 C SER A 37 4.089 15.164 21.204 1.00 41.60 C +ATOM 279 O SER A 37 5.182 14.933 21.702 1.00 42.36 O +ATOM 280 CB SER A 37 3.983 16.010 18.886 1.00 43.98 C +ATOM 281 OG SER A 37 4.968 16.784 18.230 1.00 47.19 O +ATOM 282 N VAL A 38 3.033 14.375 21.374 1.00 38.77 N +ATOM 283 CA VAL A 38 3.114 13.139 22.149 1.00 36.20 C +ATOM 284 C VAL A 38 2.683 11.956 21.280 1.00 37.80 C +ATOM 285 O VAL A 38 1.763 12.055 20.461 1.00 37.14 O +ATOM 286 CB VAL A 38 2.234 13.175 23.427 1.00 32.58 C +ATOM 287 CG1 VAL A 38 2.176 11.780 24.063 1.00 27.47 C +ATOM 288 CG2 VAL A 38 2.807 14.174 24.417 1.00 28.30 C +ATOM 289 N CYS A 39 3.366 10.834 21.465 1.00 36.34 N +ATOM 290 CA CYS A 39 3.074 9.639 20.704 1.00 32.98 C +ATOM 291 C CYS A 39 2.885 8.489 21.641 1.00 32.11 C +ATOM 292 O CYS A 39 3.355 8.509 22.781 1.00 31.75 O +ATOM 293 CB CYS A 39 4.233 9.297 19.783 1.00 31.47 C +ATOM 294 SG CYS A 39 3.964 9.834 18.122 1.00 42.22 S +ATOM 295 N ALA A 40 2.184 7.483 21.149 1.00 30.77 N +ATOM 296 CA ALA A 40 1.981 6.264 21.898 1.00 28.27 C +ATOM 297 C ALA A 40 2.889 5.314 21.116 1.00 29.18 C +ATOM 298 O ALA A 40 2.974 5.389 19.881 1.00 27.24 O +ATOM 299 CB ALA A 40 0.533 5.812 21.815 1.00 27.77 C +ATOM 300 N ALA A 41 3.601 4.453 21.827 1.00 26.52 N +ATOM 301 CA ALA A 41 4.482 3.512 21.174 1.00 25.52 C +ATOM 302 C ALA A 41 4.641 2.314 22.085 1.00 26.51 C +ATOM 303 O ALA A 41 4.163 2.301 23.229 1.00 24.36 O +ATOM 304 CB ALA A 41 5.840 4.151 20.906 1.00 18.93 C +ATOM 305 N PHE A 42 5.292 1.290 21.553 1.00 27.53 N +ATOM 306 CA PHE A 42 5.561 0.107 22.329 1.00 26.46 C +ATOM 307 C PHE A 42 7.065 0.074 22.574 1.00 25.30 C +ATOM 308 O PHE A 42 7.856 0.141 21.627 1.00 25.64 O +ATOM 309 CB PHE A 42 5.138 -1.157 21.578 1.00 29.25 C +ATOM 310 CG PHE A 42 5.394 -2.412 22.354 1.00 31.10 C +ATOM 311 CD1 PHE A 42 4.793 -2.599 23.603 1.00 33.53 C +ATOM 312 CD2 PHE A 42 6.303 -3.356 21.892 1.00 31.68 C +ATOM 313 CE1 PHE A 42 5.096 -3.700 24.391 1.00 34.44 C +ATOM 314 CE2 PHE A 42 6.620 -4.468 22.669 1.00 37.63 C +ATOM 315 CZ PHE A 42 6.014 -4.641 23.929 1.00 37.63 C +ATOM 316 N ASP A 43 7.461 -0.023 23.836 1.00 22.96 N +ATOM 317 CA ASP A 43 8.867 -0.073 24.191 1.00 23.21 C +ATOM 318 C ASP A 43 9.309 -1.544 24.247 1.00 24.10 C +ATOM 319 O ASP A 43 9.019 -2.266 25.205 1.00 21.83 O +ATOM 320 CB ASP A 43 9.050 0.605 25.543 1.00 24.38 C +ATOM 321 CG ASP A 43 10.460 0.505 26.061 1.00 30.71 C +ATOM 322 OD1 ASP A 43 11.376 0.142 25.284 1.00 29.40 O +ATOM 323 OD2 ASP A 43 10.653 0.792 27.259 1.00 32.85 O +ATOM 324 N THR A 44 10.014 -1.989 23.213 1.00 28.15 N +ATOM 325 CA THR A 44 10.465 -3.376 23.135 1.00 27.66 C +ATOM 326 C THR A 44 11.366 -3.839 24.282 1.00 30.59 C +ATOM 327 O THR A 44 11.338 -5.014 24.639 1.00 31.82 O +ATOM 328 CB THR A 44 11.186 -3.661 21.780 1.00 27.74 C +ATOM 329 OG1 THR A 44 12.425 -2.937 21.724 1.00 29.17 O +ATOM 330 CG2 THR A 44 10.290 -3.264 20.599 1.00 23.19 C +ATOM 331 N LYS A 45 12.160 -2.942 24.865 1.00 33.42 N +ATOM 332 CA LYS A 45 13.039 -3.349 25.961 1.00 38.73 C +ATOM 333 C LYS A 45 12.360 -3.527 27.326 1.00 39.22 C +ATOM 334 O LYS A 45 12.831 -4.313 28.142 1.00 39.87 O +ATOM 335 CB LYS A 45 14.236 -2.392 26.105 1.00 42.52 C +ATOM 336 CG LYS A 45 15.224 -2.812 27.221 1.00 53.82 C +ATOM 337 CD LYS A 45 16.387 -1.817 27.411 1.00 58.77 C +ATOM 338 CE LYS A 45 16.562 -1.326 28.872 1.00 59.58 C +ATOM 339 NZ LYS A 45 17.480 -0.129 28.914 1.00 59.79 N +ATOM 340 N THR A 46 11.275 -2.801 27.588 1.00 40.76 N +ATOM 341 CA THR A 46 10.560 -2.940 28.863 1.00 41.10 C +ATOM 342 C THR A 46 9.178 -3.568 28.674 1.00 43.18 C +ATOM 343 O THR A 46 8.527 -3.961 29.637 1.00 44.57 O +ATOM 344 CB THR A 46 10.373 -1.583 29.596 1.00 40.49 C +ATOM 345 OG1 THR A 46 9.361 -0.810 28.939 1.00 39.22 O +ATOM 346 CG2 THR A 46 11.677 -0.814 29.646 1.00 39.47 C +ATOM 347 N GLY A 47 8.739 -3.677 27.428 1.00 44.69 N +ATOM 348 CA GLY A 47 7.443 -4.267 27.163 1.00 47.34 C +ATOM 349 C GLY A 47 6.266 -3.392 27.551 1.00 50.00 C +ATOM 350 O GLY A 47 5.134 -3.850 27.539 1.00 51.89 O +ATOM 351 N LEU A 48 6.531 -2.136 27.903 1.00 53.06 N +ATOM 352 CA LEU A 48 5.484 -1.198 28.278 1.00 38.84 C +ATOM 353 C LEU A 48 4.944 -0.382 27.121 1.00 38.39 C +ATOM 354 O LEU A 48 5.613 -0.220 26.100 1.00 37.53 O +ATOM 355 CB LEU A 48 6.036 -0.240 29.334 1.00 40.88 C +ATOM 356 CG LEU A 48 6.837 -0.726 30.534 1.00 43.34 C +ATOM 357 CD1 LEU A 48 7.527 0.480 31.181 1.00 20.00 C +ATOM 358 CD2 LEU A 48 5.928 -1.439 31.501 1.00 44.86 C +ATOM 359 N ARG A 49 3.727 0.107 27.243 1.00 46.80 N +ATOM 360 CA ARG A 49 3.133 0.962 26.230 1.00 44.58 C +ATOM 361 C ARG A 49 3.553 2.287 26.857 1.00 40.50 C +ATOM 362 O ARG A 49 3.251 2.565 28.030 1.00 37.39 O +ATOM 363 CB ARG A 49 1.616 0.822 26.205 1.00 49.12 C +ATOM 364 CG ARG A 49 1.145 -0.617 26.046 1.00 54.50 C +ATOM 365 CD ARG A 49 0.853 -0.951 24.587 1.00 60.28 C +ATOM 366 NE ARG A 49 1.119 0.166 23.675 1.00 63.29 N +ATOM 367 CZ ARG A 49 1.301 0.026 22.362 1.00 66.65 C +ATOM 368 NH1 ARG A 49 1.253 -1.186 21.802 1.00 66.82 N +ATOM 369 NH2 ARG A 49 1.537 1.092 21.604 1.00 64.21 N +ATOM 370 N VAL A 50 4.297 3.075 26.097 1.00 34.84 N +ATOM 371 CA VAL A 50 4.801 4.329 26.608 1.00 29.03 C +ATOM 372 C VAL A 50 4.293 5.535 25.833 1.00 28.60 C +ATOM 373 O VAL A 50 3.711 5.403 24.764 1.00 27.12 O +ATOM 374 CB VAL A 50 6.362 4.334 26.568 1.00 25.91 C +ATOM 375 CG1 VAL A 50 6.927 3.375 27.606 1.00 22.01 C +ATOM 376 CG2 VAL A 50 6.839 3.948 25.187 1.00 23.22 C +ATOM 377 N ALA A 51 4.500 6.710 26.409 1.00 28.15 N +ATOM 378 CA ALA A 51 4.147 7.954 25.772 1.00 26.18 C +ATOM 379 C ALA A 51 5.517 8.576 25.493 1.00 28.95 C +ATOM 380 O ALA A 51 6.366 8.640 26.390 1.00 32.02 O +ATOM 381 CB ALA A 51 3.343 8.827 26.725 1.00 22.35 C +ATOM 382 N VAL A 52 5.765 8.973 24.250 1.00 26.78 N +ATOM 383 CA VAL A 52 7.026 9.614 23.929 1.00 26.45 C +ATOM 384 C VAL A 52 6.664 11.035 23.558 1.00 27.36 C +ATOM 385 O VAL A 52 5.901 11.264 22.618 1.00 26.60 O +ATOM 386 CB VAL A 52 7.738 8.965 22.727 1.00 27.95 C +ATOM 387 CG1 VAL A 52 8.979 9.770 22.354 1.00 23.91 C +ATOM 388 CG2 VAL A 52 8.123 7.557 23.068 1.00 28.39 C +ATOM 389 N LYS A 53 7.186 11.987 24.320 1.00 26.32 N +ATOM 390 CA LYS A 53 6.923 13.382 24.046 1.00 25.09 C +ATOM 391 C LYS A 53 8.168 14.021 23.450 1.00 25.92 C +ATOM 392 O LYS A 53 9.275 13.870 23.975 1.00 24.50 O +ATOM 393 CB LYS A 53 6.513 14.123 25.328 1.00 27.97 C +ATOM 394 CG LYS A 53 6.367 15.661 25.155 1.00 32.51 C +ATOM 395 CD LYS A 53 5.838 16.356 26.414 1.00 34.34 C +ATOM 396 CE LYS A 53 6.709 16.022 27.632 1.00 40.70 C +ATOM 397 NZ LYS A 53 6.127 16.460 28.950 1.00 43.12 N +ATOM 398 N LYS A 54 7.977 14.709 22.332 1.00 24.48 N +ATOM 399 CA LYS A 54 9.054 15.427 21.665 1.00 26.30 C +ATOM 400 C LYS A 54 8.856 16.919 21.978 1.00 29.45 C +ATOM 401 O LYS A 54 7.842 17.512 21.612 1.00 28.90 O +ATOM 402 CB LYS A 54 8.989 15.216 20.153 1.00 24.87 C +ATOM 403 CG LYS A 54 10.086 15.944 19.432 1.00 22.19 C +ATOM 404 CD LYS A 54 9.989 15.787 17.952 1.00 23.29 C +ATOM 405 CE LYS A 54 11.109 16.559 17.316 1.00 26.58 C +ATOM 406 NZ LYS A 54 11.199 16.358 15.846 1.00 30.13 N +ATOM 407 N LEU A 55 9.802 17.533 22.670 1.00 30.76 N +ATOM 408 CA LEU A 55 9.635 18.932 22.987 1.00 36.06 C +ATOM 409 C LEU A 55 9.948 19.752 21.753 1.00 41.89 C +ATOM 410 O LEU A 55 11.015 19.610 21.165 1.00 41.66 O +ATOM 411 CB LEU A 55 10.533 19.314 24.158 1.00 33.28 C +ATOM 412 CG LEU A 55 10.227 18.486 25.411 1.00 30.21 C +ATOM 413 CD1 LEU A 55 11.261 18.790 26.477 1.00 30.25 C +ATOM 414 CD2 LEU A 55 8.818 18.774 25.906 1.00 27.26 C +ATOM 415 N SER A 56 8.988 20.589 21.361 1.00 49.99 N +ATOM 416 CA SER A 56 9.075 21.465 20.176 1.00 59.49 C +ATOM 417 C SER A 56 10.484 21.999 19.851 1.00 62.78 C +ATOM 418 O SER A 56 11.214 21.431 19.015 1.00 63.87 O +ATOM 419 CB SER A 56 8.111 22.647 20.357 1.00 59.73 C +ATOM 420 OG SER A 56 8.383 23.325 21.577 1.00 65.40 O +ATOM 421 N ARG A 57 10.819 23.114 20.502 1.00 63.96 N +ATOM 422 CA ARG A 57 12.107 23.794 20.391 1.00 64.83 C +ATOM 423 C ARG A 57 12.252 24.278 21.830 1.00 60.73 C +ATOM 424 O ARG A 57 11.814 25.370 22.181 1.00 60.62 O +ATOM 425 CB ARG A 57 12.018 24.974 19.420 1.00 70.88 C +ATOM 426 CG ARG A 57 12.415 24.619 17.976 1.00 78.76 C +ATOM 427 CD ARG A 57 13.726 23.820 17.908 1.00 83.99 C +ATOM 428 NE ARG A 57 13.821 22.984 16.706 1.00 89.76 N +ATOM 429 CZ ARG A 57 14.133 23.439 15.491 1.00 92.27 C +ATOM 430 NH1 ARG A 57 14.381 24.734 15.304 1.00 92.20 N +ATOM 431 NH2 ARG A 57 14.189 22.599 14.458 1.00 91.91 N +ATOM 432 N PRO A 58 12.872 23.449 22.682 1.00 56.15 N +ATOM 433 CA PRO A 58 13.113 23.670 24.110 1.00 54.40 C +ATOM 434 C PRO A 58 14.015 24.810 24.540 1.00 53.95 C +ATOM 435 O PRO A 58 13.846 25.355 25.627 1.00 54.01 O +ATOM 436 CB PRO A 58 13.659 22.328 24.585 1.00 54.75 C +ATOM 437 CG PRO A 58 14.323 21.758 23.380 1.00 52.54 C +ATOM 438 CD PRO A 58 13.471 22.182 22.222 1.00 53.20 C +ATOM 439 N PHE A 59 14.975 25.166 23.698 1.00 53.39 N +ATOM 440 CA PHE A 59 15.916 26.219 24.044 1.00 51.71 C +ATOM 441 C PHE A 59 15.754 27.471 23.200 1.00 54.81 C +ATOM 442 O PHE A 59 16.737 28.027 22.715 1.00 56.63 O +ATOM 443 CB PHE A 59 17.333 25.674 23.903 1.00 46.95 C +ATOM 444 CG PHE A 59 17.474 24.249 24.355 1.00 41.47 C +ATOM 445 CD1 PHE A 59 17.237 23.902 25.680 1.00 37.96 C +ATOM 446 CD2 PHE A 59 17.810 23.251 23.456 1.00 39.32 C +ATOM 447 CE1 PHE A 59 17.331 22.589 26.097 1.00 37.54 C +ATOM 448 CE2 PHE A 59 17.905 21.932 23.868 1.00 38.73 C +ATOM 449 CZ PHE A 59 17.665 21.601 25.188 1.00 38.14 C +ATOM 450 N GLN A 60 14.513 27.925 23.041 1.00 56.15 N +ATOM 451 CA GLN A 60 14.236 29.114 22.243 1.00 57.56 C +ATOM 452 C GLN A 60 14.258 30.417 23.038 1.00 56.27 C +ATOM 453 O GLN A 60 14.031 31.498 22.488 1.00 57.60 O +ATOM 454 CB GLN A 60 12.883 28.968 21.542 1.00 61.21 C +ATOM 455 CG GLN A 60 11.691 29.379 22.385 1.00 65.02 C +ATOM 456 CD GLN A 60 10.529 28.424 22.228 1.00 68.64 C +ATOM 457 OE1 GLN A 60 9.654 28.343 23.094 1.00 69.44 O +ATOM 458 NE2 GLN A 60 10.516 27.685 21.114 1.00 71.02 N +ATOM 459 N SER A 61 14.521 30.311 24.331 1.00 52.99 N +ATOM 460 CA SER A 61 14.577 31.482 25.186 1.00 48.86 C +ATOM 461 C SER A 61 15.160 31.005 26.494 1.00 47.75 C +ATOM 462 O SER A 61 15.171 29.805 26.766 1.00 46.37 O +ATOM 463 CB SER A 61 13.174 32.063 25.395 1.00 47.18 C +ATOM 464 OG SER A 61 12.475 31.376 26.414 1.00 46.63 O +ATOM 465 N ILE A 62 15.657 31.931 27.299 1.00 46.35 N +ATOM 466 CA ILE A 62 16.246 31.546 28.562 1.00 46.02 C +ATOM 467 C ILE A 62 15.190 30.895 29.463 1.00 47.84 C +ATOM 468 O ILE A 62 15.489 29.953 30.209 1.00 47.71 O +ATOM 469 CB ILE A 62 16.917 32.770 29.228 1.00 45.39 C +ATOM 470 CG1 ILE A 62 18.400 32.753 28.865 1.00 46.76 C +ATOM 471 CG2 ILE A 62 16.718 32.764 30.746 1.00 44.28 C +ATOM 472 CD1 ILE A 62 19.145 34.014 29.208 1.00 50.83 C +ATOM 473 N ILE A 63 13.950 31.371 29.366 1.00 48.27 N +ATOM 474 CA ILE A 63 12.861 30.832 30.171 1.00 49.15 C +ATOM 475 C ILE A 63 12.435 29.425 29.716 1.00 47.97 C +ATOM 476 O ILE A 63 12.120 28.564 30.544 1.00 47.83 O +ATOM 477 CB ILE A 63 11.652 31.817 30.175 1.00 51.34 C +ATOM 478 CG1 ILE A 63 11.798 32.795 31.342 1.00 54.50 C +ATOM 479 CG2 ILE A 63 10.348 31.075 30.344 1.00 50.65 C +ATOM 480 CD1 ILE A 63 11.770 32.118 32.735 1.00 57.76 C +ATOM 481 N HIS A 64 12.432 29.185 28.408 1.00 47.18 N +ATOM 482 CA HIS A 64 12.058 27.866 27.899 1.00 46.60 C +ATOM 483 C HIS A 64 13.147 26.857 28.210 1.00 44.50 C +ATOM 484 O HIS A 64 12.857 25.763 28.692 1.00 44.56 O +ATOM 485 CB HIS A 64 11.810 27.910 26.391 1.00 50.30 C +ATOM 486 CG HIS A 64 10.457 28.435 26.031 1.00 55.93 C +ATOM 487 ND1 HIS A 64 10.263 29.687 25.487 1.00 58.84 N +ATOM 488 CD2 HIS A 64 9.223 27.915 26.226 1.00 57.29 C +ATOM 489 CE1 HIS A 64 8.967 29.919 25.367 1.00 58.81 C +ATOM 490 NE2 HIS A 64 8.316 28.859 25.809 1.00 60.26 N +ATOM 491 N ALA A 65 14.398 27.229 27.936 1.00 40.79 N +ATOM 492 CA ALA A 65 15.540 26.352 28.209 1.00 37.75 C +ATOM 493 C ALA A 65 15.601 26.022 29.705 1.00 36.27 C +ATOM 494 O ALA A 65 16.076 24.952 30.103 1.00 36.05 O +ATOM 495 CB ALA A 65 16.844 27.020 27.754 1.00 33.77 C +ATOM 496 N LYS A 66 15.108 26.944 30.527 1.00 33.93 N +ATOM 497 CA LYS A 66 15.089 26.746 31.972 1.00 33.80 C +ATOM 498 C LYS A 66 13.997 25.756 32.372 1.00 32.00 C +ATOM 499 O LYS A 66 14.227 24.846 33.176 1.00 29.30 O +ATOM 500 CB LYS A 66 14.852 28.080 32.698 1.00 31.83 C +ATOM 501 CG LYS A 66 15.682 28.233 33.947 1.00 27.63 C +ATOM 502 CD LYS A 66 14.911 28.860 35.090 1.00 31.33 C +ATOM 503 CE LYS A 66 15.712 28.783 36.385 1.00 29.62 C +ATOM 504 NZ LYS A 66 15.300 29.757 37.433 1.00 32.90 N +ATOM 505 N ARG A 67 12.809 25.947 31.800 1.00 34.56 N +ATOM 506 CA ARG A 67 11.658 25.094 32.094 1.00 36.72 C +ATOM 507 C ARG A 67 11.955 23.653 31.641 1.00 33.51 C +ATOM 508 O ARG A 67 11.547 22.684 32.295 1.00 31.58 O +ATOM 509 CB ARG A 67 10.403 25.693 31.423 1.00 38.13 C +ATOM 510 CG ARG A 67 9.579 24.737 30.595 1.00 49.36 C +ATOM 511 CD ARG A 67 10.118 24.617 29.154 1.00 56.47 C +ATOM 512 NE ARG A 67 9.272 23.777 28.300 1.00 59.76 N +ATOM 513 CZ ARG A 67 8.899 22.526 28.592 1.00 62.37 C +ATOM 514 NH1 ARG A 67 9.290 21.937 29.719 1.00 58.93 N +ATOM 515 NH2 ARG A 67 8.117 21.858 27.747 1.00 65.82 N +ATOM 516 N THR A 68 12.690 23.534 30.532 1.00 31.82 N +ATOM 517 CA THR A 68 13.103 22.242 29.978 1.00 29.20 C +ATOM 518 C THR A 68 14.055 21.561 30.968 1.00 29.93 C +ATOM 519 O THR A 68 13.896 20.379 31.294 1.00 28.94 O +ATOM 520 CB THR A 68 13.862 22.413 28.650 1.00 28.47 C +ATOM 521 OG1 THR A 68 13.072 23.169 27.725 1.00 27.22 O +ATOM 522 CG2 THR A 68 14.209 21.055 28.062 1.00 23.82 C +ATOM 523 N TYR A 69 15.061 22.307 31.427 1.00 30.25 N +ATOM 524 CA TYR A 69 16.008 21.775 32.400 1.00 29.68 C +ATOM 525 C TYR A 69 15.221 21.368 33.647 1.00 28.42 C +ATOM 526 O TYR A 69 15.409 20.277 34.192 1.00 28.48 O +ATOM 527 CB TYR A 69 17.061 22.826 32.776 1.00 29.19 C +ATOM 528 CG TYR A 69 18.048 22.305 33.795 1.00 27.60 C +ATOM 529 CD1 TYR A 69 18.965 21.298 33.462 1.00 29.78 C +ATOM 530 CD2 TYR A 69 18.019 22.758 35.112 1.00 27.71 C +ATOM 531 CE1 TYR A 69 19.821 20.749 34.418 1.00 27.38 C +ATOM 532 CE2 TYR A 69 18.867 22.218 36.076 1.00 27.82 C +ATOM 533 CZ TYR A 69 19.760 21.214 35.722 1.00 29.15 C +ATOM 534 OH TYR A 69 20.561 20.656 36.683 1.00 30.07 O +ATOM 535 N ARG A 70 14.324 22.246 34.085 1.00 27.66 N +ATOM 536 CA ARG A 70 13.514 21.975 35.261 1.00 26.62 C +ATOM 537 C ARG A 70 12.684 20.709 35.119 1.00 27.50 C +ATOM 538 O ARG A 70 12.602 19.901 36.059 1.00 27.67 O +ATOM 539 CB ARG A 70 12.576 23.139 35.547 1.00 26.57 C +ATOM 540 CG ARG A 70 11.614 22.848 36.691 1.00 28.39 C +ATOM 541 CD ARG A 70 10.586 23.954 36.855 1.00 28.23 C +ATOM 542 NE ARG A 70 11.235 25.178 37.288 1.00 28.83 N +ATOM 543 CZ ARG A 70 11.298 26.301 36.581 1.00 28.52 C +ATOM 544 NH1 ARG A 70 10.728 26.388 35.379 1.00 22.76 N +ATOM 545 NH2 ARG A 70 11.930 27.346 37.097 1.00 26.01 N +ATOM 546 N GLU A 71 12.059 20.527 33.958 1.00 25.87 N +ATOM 547 CA GLU A 71 11.229 19.346 33.771 1.00 26.79 C +ATOM 548 C GLU A 71 12.034 18.059 33.866 1.00 26.37 C +ATOM 549 O GLU A 71 11.659 17.136 34.595 1.00 24.31 O +ATOM 550 CB GLU A 71 10.483 19.391 32.437 1.00 30.17 C +ATOM 551 CG GLU A 71 9.241 18.494 32.458 1.00 39.77 C +ATOM 552 CD GLU A 71 8.568 18.306 31.093 1.00 45.26 C +ATOM 553 OE1 GLU A 71 8.946 19.010 30.119 1.00 47.79 O +ATOM 554 OE2 GLU A 71 7.653 17.445 30.999 1.00 47.86 O +ATOM 555 N LEU A 72 13.141 17.997 33.131 1.00 25.71 N +ATOM 556 CA LEU A 72 14.005 16.816 33.146 1.00 24.06 C +ATOM 557 C LEU A 72 14.487 16.495 34.563 1.00 23.18 C +ATOM 558 O LEU A 72 14.391 15.349 35.007 1.00 19.67 O +ATOM 559 CB LEU A 72 15.210 17.037 32.222 1.00 26.79 C +ATOM 560 CG LEU A 72 16.153 15.879 31.883 1.00 27.75 C +ATOM 561 CD1 LEU A 72 15.361 14.578 31.735 1.00 31.04 C +ATOM 562 CD2 LEU A 72 16.888 16.207 30.601 1.00 24.74 C +ATOM 563 N ARG A 73 15.013 17.500 35.270 1.00 22.46 N +ATOM 564 CA ARG A 73 15.494 17.293 36.639 1.00 23.20 C +ATOM 565 C ARG A 73 14.372 16.731 37.496 1.00 25.00 C +ATOM 566 O ARG A 73 14.540 15.719 38.177 1.00 28.64 O +ATOM 567 CB ARG A 73 15.992 18.604 37.261 1.00 20.46 C +ATOM 568 CG ARG A 73 17.312 19.131 36.681 1.00 19.94 C +ATOM 569 CD ARG A 73 18.537 18.435 37.246 1.00 17.45 C +ATOM 570 NE ARG A 73 18.388 18.173 38.670 1.00 20.53 N +ATOM 571 CZ ARG A 73 18.781 18.997 39.639 1.00 20.99 C +ATOM 572 NH1 ARG A 73 19.356 20.164 39.347 1.00 14.77 N +ATOM 573 NH2 ARG A 73 18.569 18.662 40.907 1.00 20.46 N +ATOM 574 N LEU A 74 13.213 17.380 37.457 1.00 26.57 N +ATOM 575 CA LEU A 74 12.064 16.915 38.237 1.00 25.18 C +ATOM 576 C LEU A 74 11.706 15.456 37.927 1.00 23.69 C +ATOM 577 O LEU A 74 11.653 14.615 38.827 1.00 22.05 O +ATOM 578 CB LEU A 74 10.861 17.812 37.958 1.00 27.42 C +ATOM 579 CG LEU A 74 10.780 19.086 38.789 1.00 28.89 C +ATOM 580 CD1 LEU A 74 9.695 19.982 38.202 1.00 31.06 C +ATOM 581 CD2 LEU A 74 10.490 18.738 40.252 1.00 25.75 C +ATOM 582 N LEU A 75 11.462 15.173 36.647 1.00 23.24 N +ATOM 583 CA LEU A 75 11.112 13.830 36.187 1.00 24.51 C +ATOM 584 C LEU A 75 12.238 12.819 36.474 1.00 23.56 C +ATOM 585 O LEU A 75 11.979 11.661 36.817 1.00 21.49 O +ATOM 586 CB LEU A 75 10.786 13.865 34.680 1.00 23.95 C +ATOM 587 CG LEU A 75 9.319 13.797 34.199 1.00 22.56 C +ATOM 588 CD1 LEU A 75 8.383 14.393 35.235 1.00 17.45 C +ATOM 589 CD2 LEU A 75 9.184 14.520 32.868 1.00 17.98 C +ATOM 590 N LYS A 76 13.482 13.265 36.347 1.00 21.71 N +ATOM 591 CA LYS A 76 14.603 12.392 36.622 1.00 21.63 C +ATOM 592 C LYS A 76 14.638 12.044 38.113 1.00 23.41 C +ATOM 593 O LYS A 76 15.075 10.963 38.489 1.00 28.14 O +ATOM 594 CB LYS A 76 15.915 13.053 36.193 1.00 20.42 C +ATOM 595 CG LYS A 76 16.349 12.690 34.774 1.00 21.18 C +ATOM 596 CD LYS A 76 17.736 13.209 34.417 1.00 18.52 C +ATOM 597 CE LYS A 76 18.798 12.411 35.124 1.00 18.63 C +ATOM 598 NZ LYS A 76 20.172 12.624 34.606 1.00 23.22 N +ATOM 599 N HIS A 77 14.150 12.935 38.968 1.00 23.97 N +ATOM 600 CA HIS A 77 14.162 12.675 40.401 1.00 24.82 C +ATOM 601 C HIS A 77 13.010 11.815 40.955 1.00 26.04 C +ATOM 602 O HIS A 77 13.223 10.986 41.837 1.00 26.52 O +ATOM 603 CB HIS A 77 14.205 14.002 41.154 1.00 27.93 C +ATOM 604 CG HIS A 77 14.653 13.875 42.578 1.00 34.40 C +ATOM 605 ND1 HIS A 77 13.768 13.762 43.632 1.00 36.90 N +ATOM 606 CD2 HIS A 77 15.894 13.828 43.122 1.00 36.91 C +ATOM 607 CE1 HIS A 77 14.445 13.651 44.763 1.00 36.83 C +ATOM 608 NE2 HIS A 77 15.736 13.688 44.480 1.00 37.82 N +ATOM 609 N MET A 78 11.799 12.015 40.440 1.00 25.55 N +ATOM 610 CA MET A 78 10.610 11.287 40.908 1.00 26.34 C +ATOM 611 C MET A 78 10.624 9.761 40.786 1.00 26.53 C +ATOM 612 O MET A 78 10.376 9.227 39.711 1.00 28.15 O +ATOM 613 CB MET A 78 9.365 11.817 40.191 1.00 26.30 C +ATOM 614 CG MET A 78 9.109 13.304 40.373 1.00 28.41 C +ATOM 615 SD MET A 78 8.760 13.713 42.084 1.00 34.64 S +ATOM 616 CE MET A 78 10.305 14.463 42.557 1.00 35.80 C +ATOM 617 N LYS A 79 10.878 9.063 41.892 1.00 27.16 N +ATOM 618 CA LYS A 79 10.903 7.594 41.888 1.00 25.98 C +ATOM 619 C LYS A 79 9.909 7.036 42.892 1.00 23.19 C +ATOM 620 O LYS A 79 10.298 6.495 43.924 1.00 21.59 O +ATOM 621 CB LYS A 79 12.307 7.068 42.221 1.00 27.61 C +ATOM 622 CG LYS A 79 13.444 7.862 41.588 1.00 35.37 C +ATOM 623 CD LYS A 79 13.850 7.305 40.235 1.00 37.96 C +ATOM 624 CE LYS A 79 15.370 7.231 40.091 1.00 43.77 C +ATOM 625 NZ LYS A 79 15.826 5.901 39.529 1.00 50.51 N +ATOM 626 N HIS A 80 8.625 7.146 42.574 1.00 21.18 N +ATOM 627 CA HIS A 80 7.571 6.687 43.470 1.00 20.53 C +ATOM 628 C HIS A 80 6.419 6.096 42.664 1.00 23.20 C +ATOM 629 O HIS A 80 6.073 6.621 41.617 1.00 20.53 O +ATOM 630 CB HIS A 80 7.074 7.882 44.305 1.00 19.36 C +ATOM 631 CG HIS A 80 6.121 7.513 45.397 1.00 17.24 C +ATOM 632 ND1 HIS A 80 6.502 7.446 46.720 1.00 18.96 N +ATOM 633 CD2 HIS A 80 4.809 7.189 45.365 1.00 14.61 C +ATOM 634 CE1 HIS A 80 5.464 7.090 47.455 1.00 17.02 C +ATOM 635 NE2 HIS A 80 4.426 6.928 46.656 1.00 18.80 N +ATOM 636 N GLU A 81 5.834 5.006 43.164 1.00 29.24 N +ATOM 637 CA GLU A 81 4.708 4.319 42.511 1.00 33.54 C +ATOM 638 C GLU A 81 3.547 5.255 42.150 1.00 33.56 C +ATOM 639 O GLU A 81 2.947 5.130 41.079 1.00 35.96 O +ATOM 640 CB GLU A 81 4.146 3.204 43.415 1.00 35.86 C +ATOM 641 CG GLU A 81 5.016 1.961 43.563 1.00 45.65 C +ATOM 642 CD GLU A 81 4.405 0.899 44.499 1.00 54.28 C +ATOM 643 OE1 GLU A 81 3.466 1.232 45.263 1.00 57.29 O +ATOM 644 OE2 GLU A 81 4.868 -0.274 44.475 1.00 58.05 O +ATOM 645 N ASN A 82 3.230 6.182 43.047 1.00 30.70 N +ATOM 646 CA ASN A 82 2.123 7.105 42.845 1.00 27.79 C +ATOM 647 C ASN A 82 2.460 8.448 42.220 1.00 26.38 C +ATOM 648 O ASN A 82 1.638 9.368 42.249 1.00 27.10 O +ATOM 649 CB ASN A 82 1.425 7.331 44.178 1.00 27.71 C +ATOM 650 CG ASN A 82 0.860 6.050 44.756 1.00 28.51 C +ATOM 651 OD1 ASN A 82 1.169 5.674 45.885 1.00 27.05 O +ATOM 652 ND2 ASN A 82 0.023 5.370 43.973 1.00 28.14 N +ATOM 653 N VAL A 83 3.657 8.561 41.653 1.00 25.88 N +ATOM 654 CA VAL A 83 4.103 9.806 41.021 1.00 26.30 C +ATOM 655 C VAL A 83 4.642 9.476 39.641 1.00 26.93 C +ATOM 656 O VAL A 83 5.216 8.409 39.454 1.00 29.79 O +ATOM 657 CB VAL A 83 5.231 10.480 41.826 1.00 24.72 C +ATOM 658 CG1 VAL A 83 5.565 11.841 41.206 1.00 19.89 C +ATOM 659 CG2 VAL A 83 4.814 10.626 43.288 1.00 20.95 C +ATOM 660 N ILE A 84 4.468 10.379 38.676 1.00 27.81 N +ATOM 661 CA ILE A 84 4.947 10.109 37.321 1.00 25.43 C +ATOM 662 C ILE A 84 6.466 9.986 37.303 1.00 25.74 C +ATOM 663 O ILE A 84 7.167 10.748 37.960 1.00 26.41 O +ATOM 664 CB ILE A 84 4.506 11.213 36.313 1.00 23.00 C +ATOM 665 CG1 ILE A 84 4.998 10.849 34.911 1.00 25.50 C +ATOM 666 CG2 ILE A 84 5.058 12.552 36.718 1.00 18.15 C +ATOM 667 CD1 ILE A 84 4.482 11.733 33.798 1.00 27.61 C +ATOM 668 N GLY A 85 6.966 9.009 36.555 1.00 28.34 N +ATOM 669 CA GLY A 85 8.399 8.805 36.467 1.00 27.51 C +ATOM 670 C GLY A 85 8.923 8.815 35.045 1.00 28.58 C +ATOM 671 O GLY A 85 8.163 8.753 34.076 1.00 26.88 O +ATOM 672 N LEU A 86 10.242 8.892 34.929 1.00 28.05 N +ATOM 673 CA LEU A 86 10.913 8.913 33.639 1.00 28.09 C +ATOM 674 C LEU A 86 11.421 7.517 33.307 1.00 29.27 C +ATOM 675 O LEU A 86 12.188 6.929 34.066 1.00 31.27 O +ATOM 676 CB LEU A 86 12.104 9.858 33.686 1.00 23.43 C +ATOM 677 CG LEU A 86 12.294 10.956 32.643 1.00 27.34 C +ATOM 678 CD1 LEU A 86 13.766 11.042 32.363 1.00 24.91 C +ATOM 679 CD2 LEU A 86 11.507 10.698 31.382 1.00 24.29 C +ATOM 680 N LEU A 87 10.988 6.983 32.177 1.00 28.70 N +ATOM 681 CA LEU A 87 11.451 5.677 31.766 1.00 27.65 C +ATOM 682 C LEU A 87 12.725 5.852 30.936 1.00 28.13 C +ATOM 683 O LEU A 87 13.655 5.047 31.029 1.00 28.48 O +ATOM 684 CB LEU A 87 10.380 4.991 30.931 1.00 28.89 C +ATOM 685 CG LEU A 87 9.375 4.130 31.686 1.00 29.75 C +ATOM 686 CD1 LEU A 87 8.557 3.325 30.684 1.00 31.12 C +ATOM 687 CD2 LEU A 87 10.104 3.209 32.650 1.00 29.24 C +ATOM 688 N ASP A 88 12.765 6.929 30.152 1.00 26.75 N +ATOM 689 CA ASP A 88 13.895 7.221 29.274 1.00 25.06 C +ATOM 690 C ASP A 88 13.879 8.685 28.796 1.00 25.88 C +ATOM 691 O ASP A 88 12.870 9.378 28.901 1.00 24.46 O +ATOM 692 CB ASP A 88 13.822 6.271 28.062 1.00 22.27 C +ATOM 693 CG ASP A 88 15.123 6.194 27.267 1.00 23.93 C +ATOM 694 OD1 ASP A 88 16.219 6.470 27.817 1.00 25.21 O +ATOM 695 OD2 ASP A 88 15.047 5.841 26.072 1.00 24.99 O +ATOM 696 N VAL A 89 15.029 9.134 28.301 1.00 27.18 N +ATOM 697 CA VAL A 89 15.218 10.468 27.733 1.00 28.76 C +ATOM 698 C VAL A 89 16.344 10.286 26.737 1.00 26.55 C +ATOM 699 O VAL A 89 17.363 9.639 27.045 1.00 23.87 O +ATOM 700 CB VAL A 89 15.689 11.531 28.750 1.00 32.03 C +ATOM 701 CG1 VAL A 89 16.082 12.828 28.013 1.00 30.55 C +ATOM 702 CG2 VAL A 89 14.586 11.840 29.688 1.00 41.21 C +ATOM 703 N PHE A 90 16.163 10.860 25.553 1.00 23.38 N +ATOM 704 CA PHE A 90 17.158 10.744 24.507 1.00 21.12 C +ATOM 705 C PHE A 90 17.130 11.929 23.559 1.00 20.77 C +ATOM 706 O PHE A 90 16.244 12.779 23.611 1.00 22.62 O +ATOM 707 CB PHE A 90 16.931 9.443 23.713 1.00 15.44 C +ATOM 708 CG PHE A 90 15.624 9.396 22.964 1.00 15.38 C +ATOM 709 CD1 PHE A 90 15.503 9.993 21.714 1.00 16.41 C +ATOM 710 CD2 PHE A 90 14.522 8.731 23.490 1.00 15.40 C +ATOM 711 CE1 PHE A 90 14.310 9.931 20.996 1.00 10.69 C +ATOM 712 CE2 PHE A 90 13.323 8.668 22.773 1.00 16.32 C +ATOM 713 CZ PHE A 90 13.227 9.272 21.521 1.00 11.42 C +ATOM 714 N THR A 91 18.140 11.980 22.707 1.00 23.54 N +ATOM 715 CA THR A 91 18.238 12.995 21.675 1.00 24.30 C +ATOM 716 C THR A 91 19.034 12.308 20.590 1.00 25.01 C +ATOM 717 O THR A 91 20.002 11.599 20.879 1.00 23.76 O +ATOM 718 CB THR A 91 19.007 14.272 22.111 1.00 26.34 C +ATOM 719 OG1 THR A 91 19.126 15.155 20.979 1.00 29.05 O +ATOM 720 CG2 THR A 91 20.402 13.932 22.631 1.00 22.07 C +ATOM 721 N PRO A 92 18.611 12.463 19.330 1.00 24.80 N +ATOM 722 CA PRO A 92 19.342 11.829 18.231 1.00 28.94 C +ATOM 723 C PRO A 92 20.721 12.489 17.992 1.00 34.42 C +ATOM 724 O PRO A 92 21.576 11.928 17.294 1.00 36.01 O +ATOM 725 CB PRO A 92 18.402 11.987 17.045 1.00 24.95 C +ATOM 726 CG PRO A 92 17.533 13.130 17.395 1.00 23.83 C +ATOM 727 CD PRO A 92 17.429 13.207 18.872 1.00 22.53 C +ATOM 728 N ALA A 93 20.922 13.670 18.587 1.00 37.35 N +ATOM 729 CA ALA A 93 22.169 14.432 18.470 1.00 38.93 C +ATOM 730 C ALA A 93 23.380 13.645 18.943 1.00 41.84 C +ATOM 731 O ALA A 93 23.342 13.003 19.991 1.00 43.88 O +ATOM 732 CB ALA A 93 22.062 15.725 19.259 1.00 35.18 C +ATOM 733 N ARG A 94 24.460 13.706 18.171 1.00 46.22 N +ATOM 734 CA ARG A 94 25.684 12.995 18.514 1.00 51.36 C +ATOM 735 C ARG A 94 26.631 13.857 19.360 1.00 53.43 C +ATOM 736 O ARG A 94 27.546 13.336 20.007 1.00 55.36 O +ATOM 737 CB ARG A 94 26.388 12.517 17.235 1.00 55.91 C +ATOM 738 CG ARG A 94 25.781 11.247 16.624 1.00 61.26 C +ATOM 739 CD ARG A 94 26.614 10.679 15.462 1.00 67.41 C +ATOM 740 NE ARG A 94 26.910 9.250 15.634 1.00 72.44 N +ATOM 741 CZ ARG A 94 26.502 8.281 14.810 1.00 74.88 C +ATOM 742 NH1 ARG A 94 25.772 8.575 13.739 1.00 75.38 N +ATOM 743 NH2 ARG A 94 26.827 7.012 15.054 1.00 73.96 N +ATOM 744 N SER A 95 26.407 15.170 19.362 1.00 53.57 N +ATOM 745 CA SER A 95 27.232 16.095 20.141 1.00 51.45 C +ATOM 746 C SER A 95 26.404 17.261 20.700 1.00 50.06 C +ATOM 747 O SER A 95 25.286 17.518 20.237 1.00 47.50 O +ATOM 748 CB SER A 95 28.366 16.648 19.269 1.00 52.79 C +ATOM 749 OG SER A 95 27.915 17.698 18.415 1.00 53.70 O +ATOM 750 N LEU A 96 26.955 17.957 21.695 1.00 47.15 N +ATOM 751 CA LEU A 96 26.272 19.098 22.295 1.00 47.33 C +ATOM 752 C LEU A 96 26.081 20.184 21.237 1.00 49.13 C +ATOM 753 O LEU A 96 25.188 21.025 21.342 1.00 47.71 O +ATOM 754 CB LEU A 96 27.093 19.661 23.461 1.00 45.10 C +ATOM 755 CG LEU A 96 26.734 21.071 23.952 1.00 43.05 C +ATOM 756 CD1 LEU A 96 25.352 21.081 24.590 1.00 43.27 C +ATOM 757 CD2 LEU A 96 27.762 21.526 24.947 1.00 39.92 C +ATOM 758 N GLU A 97 26.931 20.148 20.214 1.00 52.17 N +ATOM 759 CA GLU A 97 26.891 21.117 19.129 1.00 53.94 C +ATOM 760 C GLU A 97 25.572 21.034 18.384 1.00 54.81 C +ATOM 761 O GLU A 97 24.913 22.046 18.159 1.00 55.93 O +ATOM 762 CB GLU A 97 28.050 20.866 18.159 1.00 56.21 C +ATOM 763 CG GLU A 97 29.417 21.283 18.691 1.00 62.25 C +ATOM 764 CD GLU A 97 29.765 20.631 20.033 1.00 66.79 C +ATOM 765 OE1 GLU A 97 30.081 19.419 20.048 1.00 67.83 O +ATOM 766 OE2 GLU A 97 29.727 21.331 21.076 1.00 67.91 O +ATOM 767 N GLU A 98 25.185 19.818 18.018 1.00 55.84 N +ATOM 768 CA GLU A 98 23.946 19.603 17.281 1.00 55.51 C +ATOM 769 C GLU A 98 22.767 19.292 18.179 1.00 53.70 C +ATOM 770 O GLU A 98 21.664 19.055 17.692 1.00 55.85 O +ATOM 771 CB GLU A 98 24.119 18.463 16.277 1.00 57.92 C +ATOM 772 CG GLU A 98 24.957 17.307 16.788 1.00 60.72 C +ATOM 773 CD GLU A 98 24.753 16.044 15.969 1.00 64.82 C +ATOM 774 OE1 GLU A 98 23.665 15.893 15.370 1.00 66.03 O +ATOM 775 OE2 GLU A 98 25.678 15.202 15.922 1.00 65.42 O +ATOM 776 N PHE A 99 22.998 19.280 19.486 1.00 49.67 N +ATOM 777 CA PHE A 99 21.926 18.992 20.430 1.00 48.25 C +ATOM 778 C PHE A 99 20.829 20.062 20.383 1.00 50.90 C +ATOM 779 O PHE A 99 21.044 21.204 20.787 1.00 51.75 O +ATOM 780 CB PHE A 99 22.487 18.877 21.852 1.00 41.44 C +ATOM 781 CG PHE A 99 21.432 18.854 22.923 1.00 37.35 C +ATOM 782 CD1 PHE A 99 20.397 17.924 22.881 1.00 30.78 C +ATOM 783 CD2 PHE A 99 21.474 19.763 23.977 1.00 35.37 C +ATOM 784 CE1 PHE A 99 19.424 17.899 23.868 1.00 27.50 C +ATOM 785 CE2 PHE A 99 20.501 19.744 24.975 1.00 31.55 C +ATOM 786 CZ PHE A 99 19.476 18.812 24.921 1.00 29.19 C +ATOM 787 N ASN A 100 19.651 19.685 19.888 1.00 53.31 N +ATOM 788 CA ASN A 100 18.530 20.616 19.803 1.00 53.79 C +ATOM 789 C ASN A 100 17.193 19.972 20.172 1.00 51.46 C +ATOM 790 O ASN A 100 16.248 20.661 20.576 1.00 51.54 O +ATOM 791 CB ASN A 100 18.435 21.210 18.394 1.00 58.73 C +ATOM 792 CG ASN A 100 17.086 21.865 18.132 1.00 64.48 C +ATOM 793 OD1 ASN A 100 16.338 21.439 17.246 1.00 69.02 O +ATOM 794 ND2 ASN A 100 16.764 22.900 18.909 1.00 65.91 N +ATOM 795 N ASP A 101 17.117 18.652 20.041 1.00 49.18 N +ATOM 796 CA ASP A 101 15.880 17.937 20.339 1.00 45.87 C +ATOM 797 C ASP A 101 15.914 17.080 21.602 1.00 41.80 C +ATOM 798 O ASP A 101 16.868 16.329 21.824 1.00 40.99 O +ATOM 799 CB ASP A 101 15.502 17.046 19.148 1.00 48.10 C +ATOM 800 CG ASP A 101 15.103 17.845 17.920 1.00 49.70 C +ATOM 801 OD1 ASP A 101 14.289 18.786 18.062 1.00 51.09 O +ATOM 802 OD2 ASP A 101 15.603 17.531 16.815 1.00 50.66 O +ATOM 803 N VAL A 102 14.857 17.190 22.410 1.00 34.96 N +ATOM 804 CA VAL A 102 14.729 16.403 23.634 1.00 31.20 C +ATOM 805 C VAL A 102 13.442 15.571 23.608 1.00 29.20 C +ATOM 806 O VAL A 102 12.365 16.099 23.337 1.00 26.38 O +ATOM 807 CB VAL A 102 14.689 17.294 24.904 1.00 30.98 C +ATOM 808 CG1 VAL A 102 14.681 16.421 26.165 1.00 23.71 C +ATOM 809 CG2 VAL A 102 15.878 18.239 24.908 1.00 30.71 C +ATOM 810 N TYR A 103 13.568 14.273 23.884 1.00 24.80 N +ATOM 811 CA TYR A 103 12.423 13.370 23.922 1.00 21.86 C +ATOM 812 C TYR A 103 12.309 12.805 25.326 1.00 22.96 C +ATOM 813 O TYR A 103 13.312 12.437 25.948 1.00 25.59 O +ATOM 814 CB TYR A 103 12.595 12.196 22.947 1.00 22.00 C +ATOM 815 CG TYR A 103 12.588 12.557 21.480 1.00 18.80 C +ATOM 816 CD1 TYR A 103 13.686 13.192 20.894 1.00 20.87 C +ATOM 817 CD2 TYR A 103 11.492 12.250 20.674 1.00 17.90 C +ATOM 818 CE1 TYR A 103 13.693 13.518 19.535 1.00 18.87 C +ATOM 819 CE2 TYR A 103 11.482 12.568 19.316 1.00 16.59 C +ATOM 820 CZ TYR A 103 12.584 13.206 18.751 1.00 20.33 C +ATOM 821 OH TYR A 103 12.579 13.556 17.412 1.00 24.21 O +ATOM 822 N LEU A 104 11.083 12.738 25.821 1.00 23.61 N +ATOM 823 CA LEU A 104 10.829 12.201 27.145 1.00 23.47 C +ATOM 824 C LEU A 104 9.932 10.989 26.950 1.00 24.82 C +ATOM 825 O LEU A 104 8.995 11.032 26.151 1.00 26.34 O +ATOM 826 CB LEU A 104 10.132 13.243 28.025 1.00 23.03 C +ATOM 827 CG LEU A 104 10.832 14.596 28.139 1.00 22.27 C +ATOM 828 CD1 LEU A 104 9.858 15.613 28.670 1.00 21.37 C +ATOM 829 CD2 LEU A 104 12.037 14.481 29.045 1.00 19.61 C +ATOM 830 N VAL A 105 10.232 9.908 27.670 1.00 25.96 N +ATOM 831 CA VAL A 105 9.471 8.662 27.572 1.00 24.70 C +ATOM 832 C VAL A 105 8.930 8.265 28.946 1.00 25.15 C +ATOM 833 O VAL A 105 9.692 8.189 29.913 1.00 25.68 O +ATOM 834 CB VAL A 105 10.373 7.502 27.028 1.00 21.96 C +ATOM 835 CG1 VAL A 105 9.591 6.201 27.010 1.00 21.11 C +ATOM 836 CG2 VAL A 105 10.896 7.844 25.636 1.00 17.77 C +ATOM 837 N THR A 106 7.623 8.040 29.045 1.00 24.89 N +ATOM 838 CA THR A 106 7.034 7.628 30.319 1.00 28.29 C +ATOM 839 C THR A 106 5.923 6.637 30.048 1.00 30.06 C +ATOM 840 O THR A 106 5.528 6.454 28.902 1.00 29.15 O +ATOM 841 CB THR A 106 6.462 8.840 31.147 1.00 29.35 C +ATOM 842 OG1 THR A 106 6.287 8.439 32.514 1.00 35.00 O +ATOM 843 CG2 THR A 106 5.122 9.309 30.597 1.00 26.82 C +ATOM 844 N HIS A 107 5.435 5.984 31.099 1.00 32.86 N +ATOM 845 CA HIS A 107 4.348 5.021 30.954 1.00 34.39 C +ATOM 846 C HIS A 107 3.173 5.745 30.329 1.00 34.69 C +ATOM 847 O HIS A 107 2.850 6.862 30.714 1.00 36.49 O +ATOM 848 CB HIS A 107 3.942 4.475 32.320 1.00 37.26 C +ATOM 849 CG HIS A 107 5.059 3.800 33.055 1.00 42.15 C +ATOM 850 ND1 HIS A 107 5.702 4.375 34.135 1.00 43.71 N +ATOM 851 CD2 HIS A 107 5.666 2.607 32.847 1.00 40.62 C +ATOM 852 CE1 HIS A 107 6.657 3.565 34.558 1.00 42.58 C +ATOM 853 NE2 HIS A 107 6.655 2.486 33.793 1.00 43.27 N +ATOM 854 N LEU A 108 2.540 5.113 29.356 1.00 34.83 N +ATOM 855 CA LEU A 108 1.397 5.715 28.692 1.00 34.95 C +ATOM 856 C LEU A 108 0.229 5.742 29.676 1.00 38.26 C +ATOM 857 O LEU A 108 -0.250 4.697 30.109 1.00 36.76 O +ATOM 858 CB LEU A 108 1.037 4.887 27.461 1.00 32.61 C +ATOM 859 CG LEU A 108 -0.094 5.337 26.547 1.00 30.99 C +ATOM 860 CD1 LEU A 108 0.260 6.662 25.875 1.00 28.80 C +ATOM 861 CD2 LEU A 108 -0.346 4.245 25.527 1.00 27.66 C +ATOM 862 N MET A 109 -0.205 6.946 30.039 1.00 42.59 N +ATOM 863 CA MET A 109 -1.321 7.138 30.971 1.00 47.11 C +ATOM 864 C MET A 109 -2.615 7.158 30.164 1.00 49.63 C +ATOM 865 O MET A 109 -2.746 7.928 29.208 1.00 52.50 O +ATOM 866 CB MET A 109 -1.179 8.464 31.737 1.00 49.39 C +ATOM 867 CG MET A 109 0.052 8.565 32.673 1.00 49.86 C +ATOM 868 SD MET A 109 0.303 7.186 33.844 1.00 49.69 S +ATOM 869 CE MET A 109 2.088 7.351 34.150 1.00 49.84 C +ATOM 870 N GLY A 110 -3.571 6.319 30.543 1.00 50.46 N +ATOM 871 CA GLY A 110 -4.820 6.264 29.805 1.00 51.94 C +ATOM 872 C GLY A 110 -5.884 7.246 30.261 1.00 53.14 C +ATOM 873 O GLY A 110 -6.084 8.301 29.645 1.00 54.72 O +ATOM 874 N ALA A 111 -6.571 6.899 31.344 1.00 50.19 N +ATOM 875 CA ALA A 111 -7.628 7.748 31.872 1.00 47.42 C +ATOM 876 C ALA A 111 -7.150 8.570 33.043 1.00 45.16 C +ATOM 877 O ALA A 111 -6.290 8.131 33.793 1.00 45.11 O +ATOM 878 CB ALA A 111 -8.804 6.890 32.315 1.00 46.95 C +ATOM 879 N ASP A 112 -7.688 9.772 33.199 1.00 43.41 N +ATOM 880 CA ASP A 112 -7.313 10.552 34.364 1.00 43.62 C +ATOM 881 C ASP A 112 -8.485 10.417 35.344 1.00 44.27 C +ATOM 882 O ASP A 112 -9.494 9.783 35.023 1.00 44.17 O +ATOM 883 CB ASP A 112 -6.976 12.024 34.019 1.00 39.75 C +ATOM 884 CG ASP A 112 -8.140 12.795 33.443 1.00 37.23 C +ATOM 885 OD1 ASP A 112 -9.238 12.697 33.995 1.00 38.95 O +ATOM 886 OD2 ASP A 112 -7.955 13.516 32.443 1.00 37.31 O +ATOM 887 N LEU A 113 -8.340 10.971 36.544 1.00 45.67 N +ATOM 888 CA LEU A 113 -9.377 10.879 37.567 1.00 44.89 C +ATOM 889 C LEU A 113 -10.614 11.634 37.141 1.00 46.60 C +ATOM 890 O LEU A 113 -11.721 11.335 37.561 1.00 45.92 O +ATOM 891 CB LEU A 113 -8.869 11.463 38.881 1.00 42.27 C +ATOM 892 CG LEU A 113 -9.875 11.340 40.017 1.00 41.13 C +ATOM 893 CD1 LEU A 113 -10.141 9.868 40.304 1.00 38.91 C +ATOM 894 CD2 LEU A 113 -9.347 12.066 41.240 1.00 40.46 C +ATOM 895 N ASN A 114 -10.402 12.627 36.297 1.00 51.25 N +ATOM 896 CA ASN A 114 -11.476 13.458 35.808 1.00 55.16 C +ATOM 897 C ASN A 114 -12.460 12.724 34.910 1.00 58.43 C +ATOM 898 O ASN A 114 -13.444 13.308 34.485 1.00 60.33 O +ATOM 899 CB ASN A 114 -10.883 14.636 35.058 1.00 57.06 C +ATOM 900 CG ASN A 114 -11.912 15.624 34.666 1.00 58.41 C +ATOM 901 OD1 ASN A 114 -12.781 15.961 35.464 1.00 60.39 O +ATOM 902 ND2 ASN A 114 -11.837 16.103 33.426 1.00 62.96 N +ATOM 903 N ASN A 115 -12.184 11.456 34.613 1.00 63.08 N +ATOM 904 CA ASN A 115 -13.056 10.640 33.763 1.00 66.52 C +ATOM 905 C ASN A 115 -13.794 9.675 34.669 1.00 71.75 C +ATOM 906 O ASN A 115 -15.019 9.625 34.675 1.00 74.92 O +ATOM 907 CB ASN A 115 -12.247 9.838 32.745 1.00 63.25 C +ATOM 908 CG ASN A 115 -11.427 10.715 31.831 1.00 63.99 C +ATOM 909 OD1 ASN A 115 -10.298 10.372 31.468 1.00 60.30 O +ATOM 910 ND2 ASN A 115 -11.988 11.858 31.449 1.00 62.80 N +ATOM 911 N ILE A 116 -13.031 8.904 35.431 1.00 76.65 N +ATOM 912 CA ILE A 116 -13.599 7.947 36.367 1.00 80.79 C +ATOM 913 C ILE A 116 -14.715 8.600 37.214 1.00 83.83 C +ATOM 914 O ILE A 116 -15.819 8.064 37.322 1.00 83.69 O +ATOM 915 CB ILE A 116 -12.468 7.373 37.283 1.00 81.12 C +ATOM 916 CG1 ILE A 116 -11.880 6.110 36.647 1.00 80.38 C +ATOM 917 CG2 ILE A 116 -12.996 7.072 38.680 1.00 81.03 C +ATOM 918 CD1 ILE A 116 -10.901 6.376 35.526 1.00 79.96 C +ATOM 919 N VAL A 117 -14.431 9.772 37.776 1.00 87.54 N +ATOM 920 CA VAL A 117 -15.383 10.491 38.627 1.00 91.42 C +ATOM 921 C VAL A 117 -16.425 11.385 37.955 1.00 93.81 C +ATOM 922 O VAL A 117 -17.590 11.371 38.351 1.00 95.52 O +ATOM 923 CB VAL A 117 -14.643 11.366 39.637 1.00 92.30 C +ATOM 924 CG1 VAL A 117 -15.577 11.754 40.784 1.00 93.30 C +ATOM 925 CG2 VAL A 117 -13.425 10.629 40.129 1.00 94.71 C +ATOM 926 N LYS A 118 -16.013 12.181 36.969 1.00 95.19 N +ATOM 927 CA LYS A 118 -16.943 13.074 36.277 1.00 95.50 C +ATOM 928 C LYS A 118 -18.198 12.300 35.896 1.00 95.25 C +ATOM 929 O LYS A 118 -19.270 12.883 35.710 1.00 94.23 O +ATOM 930 CB LYS A 118 -16.290 13.652 35.015 1.00 96.19 C +ATOM 931 CG LYS A 118 -17.151 14.651 34.246 1.00 97.22 C +ATOM 932 CD LYS A 118 -16.703 14.781 32.790 1.00 98.68 C +ATOM 933 CE LYS A 118 -17.821 14.409 31.811 1.00100.00 C +ATOM 934 NZ LYS A 118 -19.125 14.130 32.488 1.00100.00 N +ATOM 935 N CYS A 119 -18.054 10.978 35.810 1.00 95.47 N +ATOM 936 CA CYS A 119 -19.149 10.091 35.439 1.00 95.30 C +ATOM 937 C CYS A 119 -19.924 9.471 36.621 1.00 94.88 C +ATOM 938 O CYS A 119 -20.504 8.393 36.471 1.00 94.57 O +ATOM 939 CB CYS A 119 -18.623 8.980 34.504 1.00 95.31 C +ATOM 940 SG CYS A 119 -17.878 9.557 32.913 1.00 92.06 S +ATOM 941 N GLN A 120 -19.931 10.156 37.775 1.00 93.67 N +ATOM 942 CA GLN A 120 -20.656 9.713 38.982 1.00 91.73 C +ATOM 943 C GLN A 120 -20.078 10.175 40.336 1.00 88.79 C +ATOM 944 O GLN A 120 -19.122 10.954 40.403 1.00 88.51 O +ATOM 945 CB GLN A 120 -20.788 8.176 39.013 1.00 95.26 C +ATOM 946 CG GLN A 120 -22.209 7.639 38.767 1.00 98.33 C +ATOM 947 CD GLN A 120 -23.171 7.878 39.936 1.00100.00 C +ATOM 948 OE1 GLN A 120 -24.324 8.264 39.734 1.00100.00 O +ATOM 949 NE2 GLN A 120 -22.703 7.640 41.157 1.00100.00 N +ATOM 950 N LYS A 121 -20.710 9.676 41.403 1.00 84.23 N +ATOM 951 CA LYS A 121 -20.348 9.913 42.808 1.00 77.91 C +ATOM 952 C LYS A 121 -19.869 8.509 43.255 1.00 77.75 C +ATOM 953 O LYS A 121 -20.599 7.525 43.078 1.00 80.29 O +ATOM 954 CB LYS A 121 -21.605 10.376 43.566 1.00 71.37 C +ATOM 955 CG LYS A 121 -21.691 10.039 45.042 1.00 65.96 C +ATOM 956 CD LYS A 121 -23.078 10.416 45.565 1.00 63.61 C +ATOM 957 CE LYS A 121 -23.242 10.143 47.055 1.00 62.17 C +ATOM 958 NZ LYS A 121 -23.759 11.329 47.795 1.00 57.55 N +ATOM 959 N LEU A 122 -18.653 8.400 43.803 1.00 74.55 N +ATOM 960 CA LEU A 122 -18.089 7.085 44.189 1.00 69.17 C +ATOM 961 C LEU A 122 -18.386 6.517 45.579 1.00 65.48 C +ATOM 962 O LEU A 122 -18.961 7.195 46.445 1.00 66.18 O +ATOM 963 CB LEU A 122 -16.561 7.084 44.015 1.00 67.91 C +ATOM 964 CG LEU A 122 -15.914 7.851 42.862 1.00 66.68 C +ATOM 965 CD1 LEU A 122 -14.412 7.619 42.908 1.00 65.57 C +ATOM 966 CD2 LEU A 122 -16.491 7.398 41.530 1.00 66.87 C +ATOM 967 N THR A 123 -17.963 5.264 45.781 1.00 58.72 N +ATOM 968 CA THR A 123 -18.151 4.576 47.058 1.00 52.79 C +ATOM 969 C THR A 123 -17.023 4.944 48.025 1.00 49.62 C +ATOM 970 O THR A 123 -15.900 5.223 47.613 1.00 49.10 O +ATOM 971 CB THR A 123 -18.185 3.053 46.877 1.00 50.87 C +ATOM 972 OG1 THR A 123 -16.912 2.492 47.222 1.00 48.07 O +ATOM 973 CG2 THR A 123 -18.526 2.716 45.444 1.00 50.94 C +ATOM 974 N ASP A 124 -17.322 4.946 49.316 1.00 46.66 N +ATOM 975 CA ASP A 124 -16.328 5.318 50.310 1.00 44.65 C +ATOM 976 C ASP A 124 -14.991 4.598 50.150 1.00 45.02 C +ATOM 977 O ASP A 124 -13.922 5.215 50.247 1.00 45.83 O +ATOM 978 CB ASP A 124 -16.874 5.067 51.712 1.00 42.95 C +ATOM 979 CG ASP A 124 -16.095 5.809 52.779 1.00 43.62 C +ATOM 980 OD1 ASP A 124 -15.818 7.017 52.578 1.00 40.16 O +ATOM 981 OD2 ASP A 124 -15.762 5.183 53.813 1.00 41.28 O +ATOM 982 N ASP A 125 -15.040 3.296 49.902 1.00 42.48 N +ATOM 983 CA ASP A 125 -13.811 2.539 49.764 1.00 41.51 C +ATOM 984 C ASP A 125 -12.980 2.986 48.582 1.00 40.41 C +ATOM 985 O ASP A 125 -11.759 2.849 48.605 1.00 40.50 O +ATOM 986 CB ASP A 125 -14.118 1.055 49.662 1.00 44.46 C +ATOM 987 CG ASP A 125 -14.737 0.517 50.927 1.00 48.06 C +ATOM 988 OD1 ASP A 125 -14.339 0.949 52.036 1.00 52.63 O +ATOM 989 OD2 ASP A 125 -15.635 -0.332 50.815 1.00 50.63 O +ATOM 990 N HIS A 126 -13.633 3.510 47.546 1.00 37.06 N +ATOM 991 CA HIS A 126 -12.911 3.995 46.383 1.00 33.58 C +ATOM 992 C HIS A 126 -12.235 5.304 46.768 1.00 31.52 C +ATOM 993 O HIS A 126 -11.063 5.509 46.468 1.00 30.44 O +ATOM 994 CB HIS A 126 -13.862 4.223 45.211 1.00 35.93 C +ATOM 995 CG HIS A 126 -14.273 2.963 44.522 1.00 43.92 C +ATOM 996 ND1 HIS A 126 -13.384 1.948 44.235 1.00 47.48 N +ATOM 997 CD2 HIS A 126 -15.486 2.525 44.107 1.00 47.49 C +ATOM 998 CE1 HIS A 126 -14.029 0.938 43.678 1.00 47.41 C +ATOM 999 NE2 HIS A 126 -15.308 1.263 43.590 1.00 47.96 N +ATOM 1000 N VAL A 127 -12.974 6.178 47.451 1.00 30.69 N +ATOM 1001 CA VAL A 127 -12.444 7.471 47.877 1.00 29.42 C +ATOM 1002 C VAL A 127 -11.268 7.235 48.824 1.00 30.17 C +ATOM 1003 O VAL A 127 -10.219 7.876 48.693 1.00 30.09 O +ATOM 1004 CB VAL A 127 -13.532 8.328 48.585 1.00 28.15 C +ATOM 1005 CG1 VAL A 127 -12.969 9.708 48.947 1.00 22.30 C +ATOM 1006 CG2 VAL A 127 -14.755 8.472 47.676 1.00 26.31 C +ATOM 1007 N GLN A 128 -11.443 6.313 49.769 1.00 28.55 N +ATOM 1008 CA GLN A 128 -10.383 5.974 50.714 1.00 27.29 C +ATOM 1009 C GLN A 128 -9.100 5.665 49.943 1.00 26.88 C +ATOM 1010 O GLN A 128 -8.048 6.249 50.197 1.00 28.65 O +ATOM 1011 CB GLN A 128 -10.768 4.739 51.516 1.00 27.04 C +ATOM 1012 CG GLN A 128 -11.344 5.022 52.889 1.00 29.79 C +ATOM 1013 CD GLN A 128 -12.020 3.806 53.458 1.00 26.59 C +ATOM 1014 OE1 GLN A 128 -13.208 3.824 53.778 1.00 25.27 O +ATOM 1015 NE2 GLN A 128 -11.266 2.724 53.567 1.00 31.59 N +ATOM 1016 N PHE A 129 -9.215 4.744 48.991 1.00 24.28 N +ATOM 1017 CA PHE A 129 -8.096 4.307 48.166 1.00 25.70 C +ATOM 1018 C PHE A 129 -7.461 5.369 47.267 1.00 26.36 C +ATOM 1019 O PHE A 129 -6.234 5.532 47.255 1.00 26.66 O +ATOM 1020 CB PHE A 129 -8.526 3.134 47.288 1.00 26.86 C +ATOM 1021 CG PHE A 129 -7.386 2.449 46.612 1.00 28.70 C +ATOM 1022 CD1 PHE A 129 -6.226 2.132 47.325 1.00 29.19 C +ATOM 1023 CD2 PHE A 129 -7.466 2.112 45.266 1.00 32.46 C +ATOM 1024 CE1 PHE A 129 -5.152 1.486 46.710 1.00 30.62 C +ATOM 1025 CE2 PHE A 129 -6.396 1.460 44.624 1.00 33.22 C +ATOM 1026 CZ PHE A 129 -5.235 1.145 45.352 1.00 33.75 C +ATOM 1027 N LEU A 130 -8.285 6.077 46.501 1.00 22.56 N +ATOM 1028 CA LEU A 130 -7.765 7.096 45.608 1.00 18.87 C +ATOM 1029 C LEU A 130 -7.096 8.243 46.361 1.00 17.16 C +ATOM 1030 O LEU A 130 -5.997 8.650 46.019 1.00 19.74 O +ATOM 1031 CB LEU A 130 -8.891 7.623 44.723 1.00 19.85 C +ATOM 1032 CG LEU A 130 -9.325 6.699 43.579 1.00 18.47 C +ATOM 1033 CD1 LEU A 130 -10.698 7.140 43.058 1.00 14.85 C +ATOM 1034 CD2 LEU A 130 -8.272 6.724 42.473 1.00 13.24 C +ATOM 1035 N ILE A 131 -7.755 8.769 47.382 1.00 16.14 N +ATOM 1036 CA ILE A 131 -7.169 9.854 48.163 1.00 19.11 C +ATOM 1037 C ILE A 131 -5.916 9.336 48.881 1.00 20.72 C +ATOM 1038 O ILE A 131 -4.923 10.057 49.010 1.00 22.52 O +ATOM 1039 CB ILE A 131 -8.176 10.427 49.224 1.00 18.45 C +ATOM 1040 CG1 ILE A 131 -9.444 10.942 48.527 1.00 17.06 C +ATOM 1041 CG2 ILE A 131 -7.517 11.553 50.019 1.00 14.73 C +ATOM 1042 CD1 ILE A 131 -9.186 11.952 47.406 1.00 14.25 C +ATOM 1043 N TYR A 132 -5.957 8.089 49.345 1.00 20.92 N +ATOM 1044 CA TYR A 132 -4.801 7.508 50.027 1.00 23.12 C +ATOM 1045 C TYR A 132 -3.538 7.615 49.168 1.00 24.51 C +ATOM 1046 O TYR A 132 -2.486 8.074 49.631 1.00 26.64 O +ATOM 1047 CB TYR A 132 -5.036 6.037 50.350 1.00 25.57 C +ATOM 1048 CG TYR A 132 -3.796 5.369 50.886 1.00 28.18 C +ATOM 1049 CD1 TYR A 132 -3.388 5.574 52.205 1.00 28.31 C +ATOM 1050 CD2 TYR A 132 -3.000 4.564 50.068 1.00 29.46 C +ATOM 1051 CE1 TYR A 132 -2.209 4.995 52.702 1.00 28.42 C +ATOM 1052 CE2 TYR A 132 -1.816 3.980 50.558 1.00 28.34 C +ATOM 1053 CZ TYR A 132 -1.428 4.201 51.877 1.00 27.96 C +ATOM 1054 OH TYR A 132 -0.271 3.631 52.373 1.00 27.63 O +ATOM 1055 N GLN A 133 -3.652 7.178 47.917 1.00 23.62 N +ATOM 1056 CA GLN A 133 -2.544 7.218 46.967 1.00 22.58 C +ATOM 1057 C GLN A 133 -2.074 8.636 46.647 1.00 23.20 C +ATOM 1058 O GLN A 133 -0.876 8.888 46.466 1.00 20.87 O +ATOM 1059 CB GLN A 133 -2.959 6.524 45.678 1.00 19.24 C +ATOM 1060 CG GLN A 133 -3.143 5.052 45.834 1.00 19.17 C +ATOM 1061 CD GLN A 133 -3.793 4.455 44.630 1.00 22.77 C +ATOM 1062 OE1 GLN A 133 -3.124 4.120 43.650 1.00 21.90 O +ATOM 1063 NE2 GLN A 133 -5.114 4.322 44.681 1.00 25.14 N +ATOM 1064 N ILE A 134 -3.021 9.561 46.549 1.00 22.82 N +ATOM 1065 CA ILE A 134 -2.668 10.936 46.261 1.00 22.40 C +ATOM 1066 C ILE A 134 -1.798 11.448 47.409 1.00 22.27 C +ATOM 1067 O ILE A 134 -0.771 12.096 47.166 1.00 22.82 O +ATOM 1068 CB ILE A 134 -3.917 11.833 46.141 1.00 23.51 C +ATOM 1069 CG1 ILE A 134 -4.861 11.299 45.057 1.00 23.37 C +ATOM 1070 CG2 ILE A 134 -3.488 13.249 45.801 1.00 25.26 C +ATOM 1071 CD1 ILE A 134 -6.046 12.222 44.780 1.00 20.01 C +ATOM 1072 N LEU A 135 -2.205 11.143 48.649 1.00 19.28 N +ATOM 1073 CA LEU A 135 -1.469 11.569 49.850 1.00 19.47 C +ATOM 1074 C LEU A 135 -0.104 10.885 50.012 1.00 20.95 C +ATOM 1075 O LEU A 135 0.852 11.490 50.498 1.00 19.86 O +ATOM 1076 CB LEU A 135 -2.314 11.317 51.102 1.00 17.01 C +ATOM 1077 CG LEU A 135 -3.533 12.218 51.341 1.00 15.32 C +ATOM 1078 CD1 LEU A 135 -4.350 11.631 52.474 1.00 13.41 C +ATOM 1079 CD2 LEU A 135 -3.101 13.647 51.674 1.00 9.98 C +ATOM 1080 N ARG A 136 -0.030 9.613 49.629 1.00 21.78 N +ATOM 1081 CA ARG A 136 1.215 8.852 49.689 1.00 22.62 C +ATOM 1082 C ARG A 136 2.221 9.478 48.713 1.00 23.15 C +ATOM 1083 O ARG A 136 3.378 9.721 49.046 1.00 25.37 O +ATOM 1084 CB ARG A 136 0.932 7.414 49.283 1.00 22.58 C +ATOM 1085 CG ARG A 136 2.088 6.466 49.443 1.00 26.87 C +ATOM 1086 CD ARG A 136 1.644 5.068 49.059 1.00 28.68 C +ATOM 1087 NE ARG A 136 2.741 4.109 49.118 1.00 36.65 N +ATOM 1088 CZ ARG A 136 3.182 3.405 48.076 1.00 41.62 C +ATOM 1089 NH1 ARG A 136 2.619 3.545 46.879 1.00 44.65 N +ATOM 1090 NH2 ARG A 136 4.192 2.554 48.229 1.00 43.42 N +ATOM 1091 N GLY A 137 1.772 9.739 47.494 1.00 23.64 N +ATOM 1092 CA GLY A 137 2.644 10.347 46.509 1.00 21.54 C +ATOM 1093 C GLY A 137 3.023 11.755 46.913 1.00 21.70 C +ATOM 1094 O GLY A 137 4.142 12.196 46.658 1.00 20.35 O +ATOM 1095 N LEU A 138 2.087 12.462 47.543 1.00 22.46 N +ATOM 1096 CA LEU A 138 2.307 13.836 47.992 1.00 20.63 C +ATOM 1097 C LEU A 138 3.281 13.932 49.163 1.00 19.07 C +ATOM 1098 O LEU A 138 3.987 14.928 49.318 1.00 16.75 O +ATOM 1099 CB LEU A 138 0.977 14.457 48.380 1.00 20.98 C +ATOM 1100 CG LEU A 138 0.780 15.936 48.049 1.00 25.67 C +ATOM 1101 CD1 LEU A 138 1.162 16.273 46.584 1.00 18.40 C +ATOM 1102 CD2 LEU A 138 -0.685 16.251 48.343 1.00 24.28 C +ATOM 1103 N LYS A 139 3.303 12.891 49.991 1.00 20.45 N +ATOM 1104 CA LYS A 139 4.210 12.848 51.129 1.00 20.37 C +ATOM 1105 C LYS A 139 5.614 12.744 50.547 1.00 21.56 C +ATOM 1106 O LYS A 139 6.542 13.422 50.990 1.00 23.04 O +ATOM 1107 CB LYS A 139 3.930 11.629 52.005 1.00 19.02 C +ATOM 1108 CG LYS A 139 5.143 11.180 52.768 1.00 20.79 C +ATOM 1109 CD LYS A 139 4.866 10.047 53.719 1.00 23.36 C +ATOM 1110 CE LYS A 139 6.020 9.925 54.704 1.00 25.03 C +ATOM 1111 NZ LYS A 139 6.137 8.592 55.339 1.00 27.70 N +ATOM 1112 N TYR A 140 5.757 11.895 49.537 1.00 21.03 N +ATOM 1113 CA TYR A 140 7.037 11.698 48.876 1.00 20.47 C +ATOM 1114 C TYR A 140 7.514 13.024 48.256 1.00 21.04 C +ATOM 1115 O TYR A 140 8.612 13.488 48.532 1.00 21.30 O +ATOM 1116 CB TYR A 140 6.884 10.591 47.807 1.00 22.82 C +ATOM 1117 CG TYR A 140 8.098 10.355 46.933 1.00 22.57 C +ATOM 1118 CD1 TYR A 140 9.146 9.540 47.361 1.00 21.80 C +ATOM 1119 CD2 TYR A 140 8.223 10.995 45.707 1.00 20.53 C +ATOM 1120 CE1 TYR A 140 10.288 9.385 46.588 1.00 21.76 C +ATOM 1121 CE2 TYR A 140 9.348 10.848 44.934 1.00 21.78 C +ATOM 1122 CZ TYR A 140 10.383 10.052 45.374 1.00 24.14 C +ATOM 1123 OH TYR A 140 11.529 9.976 44.612 1.00 25.27 O +ATOM 1124 N ILE A 141 6.669 13.632 47.431 1.00 24.30 N +ATOM 1125 CA ILE A 141 6.969 14.898 46.759 1.00 25.30 C +ATOM 1126 C ILE A 141 7.341 16.008 47.741 1.00 26.01 C +ATOM 1127 O ILE A 141 8.360 16.685 47.583 1.00 25.77 O +ATOM 1128 CB ILE A 141 5.744 15.360 45.913 1.00 28.42 C +ATOM 1129 CG1 ILE A 141 5.691 14.540 44.630 1.00 31.08 C +ATOM 1130 CG2 ILE A 141 5.820 16.854 45.575 1.00 25.69 C +ATOM 1131 CD1 ILE A 141 4.292 14.430 44.041 1.00 35.08 C +ATOM 1132 N HIS A 142 6.498 16.200 48.749 1.00 26.23 N +ATOM 1133 CA HIS A 142 6.736 17.234 49.739 1.00 24.55 C +ATOM 1134 C HIS A 142 8.018 16.957 50.492 1.00 25.39 C +ATOM 1135 O HIS A 142 8.785 17.869 50.782 1.00 26.14 O +ATOM 1136 CB HIS A 142 5.559 17.304 50.706 1.00 20.03 C +ATOM 1137 CG HIS A 142 4.346 17.958 50.120 1.00 24.02 C +ATOM 1138 ND1 HIS A 142 3.124 17.983 50.761 1.00 20.27 N +ATOM 1139 CD2 HIS A 142 4.166 18.605 48.941 1.00 19.62 C +ATOM 1140 CE1 HIS A 142 2.244 18.616 50.006 1.00 21.95 C +ATOM 1141 NE2 HIS A 142 2.849 19.003 48.896 1.00 25.70 N +ATOM 1142 N SER A 143 8.259 15.693 50.805 1.00 25.37 N +ATOM 1143 CA SER A 143 9.461 15.345 51.532 1.00 26.42 C +ATOM 1144 C SER A 143 10.731 15.752 50.773 1.00 27.68 C +ATOM 1145 O SER A 143 11.796 15.850 51.369 1.00 28.80 O +ATOM 1146 CB SER A 143 9.464 13.848 51.847 1.00 27.34 C +ATOM 1147 OG SER A 143 10.163 13.105 50.868 1.00 31.78 O +ATOM 1148 N ALA A 144 10.611 16.003 49.469 1.00 29.65 N +ATOM 1149 CA ALA A 144 11.748 16.412 48.630 1.00 27.76 C +ATOM 1150 C ALA A 144 11.738 17.934 48.443 1.00 30.53 C +ATOM 1151 O ALA A 144 12.467 18.468 47.589 1.00 29.40 O +ATOM 1152 CB ALA A 144 11.664 15.732 47.252 1.00 22.37 C +ATOM 1153 N ASP A 145 10.897 18.612 49.234 1.00 31.88 N +ATOM 1154 CA ASP A 145 10.731 20.063 49.195 1.00 32.98 C +ATOM 1155 C ASP A 145 10.060 20.528 47.922 1.00 32.50 C +ATOM 1156 O ASP A 145 10.285 21.649 47.470 1.00 34.08 O +ATOM 1157 CB ASP A 145 12.071 20.766 49.314 1.00 39.10 C +ATOM 1158 CG ASP A 145 12.420 21.094 50.736 1.00 47.67 C +ATOM 1159 OD1 ASP A 145 11.651 20.696 51.647 1.00 52.14 O +ATOM 1160 OD2 ASP A 145 13.471 21.750 50.940 1.00 56.43 O +ATOM 1161 N ILE A 146 9.245 19.673 47.327 1.00 30.38 N +ATOM 1162 CA ILE A 146 8.567 20.059 46.106 1.00 30.61 C +ATOM 1163 C ILE A 146 7.095 20.284 46.392 1.00 31.34 C +ATOM 1164 O ILE A 146 6.468 19.512 47.116 1.00 34.46 O +ATOM 1165 CB ILE A 146 8.694 18.970 45.013 1.00 30.09 C +ATOM 1166 CG1 ILE A 146 10.161 18.732 44.675 1.00 28.36 C +ATOM 1167 CG2 ILE A 146 7.962 19.398 43.756 1.00 29.06 C +ATOM 1168 CD1 ILE A 146 10.415 17.360 44.135 1.00 27.40 C +ATOM 1169 N ILE A 147 6.555 21.358 45.834 1.00 30.31 N +ATOM 1170 CA ILE A 147 5.140 21.675 45.979 1.00 29.98 C +ATOM 1171 C ILE A 147 4.562 21.508 44.572 1.00 29.62 C +ATOM 1172 O ILE A 147 5.062 22.126 43.623 1.00 32.79 O +ATOM 1173 CB ILE A 147 4.928 23.126 46.439 1.00 28.18 C +ATOM 1174 CG1 ILE A 147 5.648 23.364 47.758 1.00 27.51 C +ATOM 1175 CG2 ILE A 147 3.444 23.407 46.613 1.00 29.62 C +ATOM 1176 CD1 ILE A 147 5.656 24.802 48.141 1.00 28.52 C +ATOM 1177 N HIS A 148 3.543 20.664 44.416 1.00 24.45 N +ATOM 1178 CA HIS A 148 2.961 20.453 43.099 1.00 22.47 C +ATOM 1179 C HIS A 148 2.342 21.739 42.542 1.00 24.36 C +ATOM 1180 O HIS A 148 2.656 22.148 41.420 1.00 23.70 O +ATOM 1181 CB HIS A 148 1.920 19.338 43.139 1.00 19.24 C +ATOM 1182 CG HIS A 148 1.436 18.939 41.780 1.00 20.31 C +ATOM 1183 ND1 HIS A 148 0.613 19.744 41.020 1.00 18.51 N +ATOM 1184 CD2 HIS A 148 1.697 17.849 41.022 1.00 20.11 C +ATOM 1185 CE1 HIS A 148 0.389 19.170 39.854 1.00 16.37 C +ATOM 1186 NE2 HIS A 148 1.034 18.019 39.829 1.00 19.53 N +ATOM 1187 N ARG A 149 1.475 22.370 43.342 1.00 28.34 N +ATOM 1188 CA ARG A 149 0.805 23.634 42.992 1.00 27.94 C +ATOM 1189 C ARG A 149 -0.377 23.572 42.023 1.00 28.40 C +ATOM 1190 O ARG A 149 -1.097 24.550 41.876 1.00 28.41 O +ATOM 1191 CB ARG A 149 1.831 24.635 42.437 1.00 28.97 C +ATOM 1192 CG ARG A 149 2.704 25.289 43.495 1.00 33.18 C +ATOM 1193 CD ARG A 149 3.701 26.267 42.876 1.00 39.73 C +ATOM 1194 NE ARG A 149 4.926 25.623 42.378 1.00 46.44 N +ATOM 1195 CZ ARG A 149 6.090 25.612 43.031 1.00 48.56 C +ATOM 1196 NH1 ARG A 149 6.212 26.198 44.215 1.00 50.29 N +ATOM 1197 NH2 ARG A 149 7.138 25.020 42.489 1.00 50.85 N +ATOM 1198 N ASP A 150 -0.574 22.443 41.350 1.00 27.72 N +ATOM 1199 CA ASP A 150 -1.663 22.317 40.386 1.00 25.56 C +ATOM 1200 C ASP A 150 -2.319 20.947 40.457 1.00 22.92 C +ATOM 1201 O ASP A 150 -2.516 20.290 39.451 1.00 22.52 O +ATOM 1202 CB ASP A 150 -1.115 22.567 38.974 1.00 28.78 C +ATOM 1203 CG ASP A 150 -2.206 22.888 37.945 1.00 29.26 C +ATOM 1204 OD1 ASP A 150 -3.296 23.369 38.333 1.00 33.37 O +ATOM 1205 OD2 ASP A 150 -1.956 22.654 36.733 1.00 35.03 O +ATOM 1206 N LEU A 151 -2.653 20.507 41.656 1.00 22.75 N +ATOM 1207 CA LEU A 151 -3.302 19.216 41.807 1.00 23.16 C +ATOM 1208 C LEU A 151 -4.755 19.382 41.389 1.00 23.85 C +ATOM 1209 O LEU A 151 -5.462 20.259 41.890 1.00 26.23 O +ATOM 1210 CB LEU A 151 -3.262 18.754 43.269 1.00 21.89 C +ATOM 1211 CG LEU A 151 -2.089 17.908 43.762 1.00 24.79 C +ATOM 1212 CD1 LEU A 151 -2.364 17.522 45.196 1.00 26.99 C +ATOM 1213 CD2 LEU A 151 -1.916 16.659 42.903 1.00 24.26 C +ATOM 1214 N LYS A 152 -5.206 18.562 40.458 1.00 21.92 N +ATOM 1215 CA LYS A 152 -6.592 18.623 40.052 1.00 20.63 C +ATOM 1216 C LYS A 152 -6.888 17.287 39.398 1.00 21.34 C +ATOM 1217 O LYS A 152 -5.968 16.588 39.000 1.00 23.05 O +ATOM 1218 CB LYS A 152 -6.822 19.787 39.093 1.00 21.29 C +ATOM 1219 CG LYS A 152 -5.940 19.781 37.882 1.00 22.81 C +ATOM 1220 CD LYS A 152 -5.985 21.145 37.207 1.00 26.83 C +ATOM 1221 CE LYS A 152 -5.204 21.138 35.898 1.00 28.31 C +ATOM 1222 NZ LYS A 152 -4.724 22.492 35.542 1.00 28.41 N +ATOM 1223 N PRO A 153 -8.173 16.907 39.286 1.00 21.24 N +ATOM 1224 CA PRO A 153 -8.515 15.623 38.671 1.00 21.53 C +ATOM 1225 C PRO A 153 -7.806 15.278 37.350 1.00 22.78 C +ATOM 1226 O PRO A 153 -7.362 14.138 37.158 1.00 22.14 O +ATOM 1227 CB PRO A 153 -10.028 15.709 38.525 1.00 22.34 C +ATOM 1228 CG PRO A 153 -10.443 16.588 39.655 1.00 18.46 C +ATOM 1229 CD PRO A 153 -9.381 17.634 39.713 1.00 19.76 C +ATOM 1230 N SER A 154 -7.687 16.259 36.456 1.00 21.92 N +ATOM 1231 CA SER A 154 -7.054 16.045 35.160 1.00 21.20 C +ATOM 1232 C SER A 154 -5.554 15.785 35.268 1.00 24.52 C +ATOM 1233 O SER A 154 -4.904 15.392 34.297 1.00 28.10 O +ATOM 1234 CB SER A 154 -7.305 17.249 34.254 1.00 21.39 C +ATOM 1235 OG SER A 154 -6.518 18.364 34.642 1.00 19.71 O +ATOM 1236 N ASN A 155 -4.995 16.001 36.450 1.00 24.34 N +ATOM 1237 CA ASN A 155 -3.569 15.784 36.643 1.00 22.95 C +ATOM 1238 C ASN A 155 -3.351 14.536 37.463 1.00 22.79 C +ATOM 1239 O ASN A 155 -2.321 14.384 38.098 1.00 21.99 O +ATOM 1240 CB ASN A 155 -2.931 16.980 37.352 1.00 22.19 C +ATOM 1241 CG ASN A 155 -2.453 18.052 36.385 1.00 25.11 C +ATOM 1242 OD1 ASN A 155 -2.286 19.202 36.768 1.00 28.30 O +ATOM 1243 ND2 ASN A 155 -2.227 17.679 35.128 1.00 24.46 N +ATOM 1244 N LEU A 156 -4.330 13.640 37.446 1.00 25.49 N +ATOM 1245 CA LEU A 156 -4.238 12.396 38.201 1.00 26.39 C +ATOM 1246 C LEU A 156 -4.607 11.194 37.320 1.00 29.40 C +ATOM 1247 O LEU A 156 -5.781 10.960 37.058 1.00 30.76 O +ATOM 1248 CB LEU A 156 -5.168 12.453 39.423 1.00 22.50 C +ATOM 1249 CG LEU A 156 -4.877 13.541 40.462 1.00 18.51 C +ATOM 1250 CD1 LEU A 156 -6.051 13.663 41.418 1.00 18.45 C +ATOM 1251 CD2 LEU A 156 -3.605 13.214 41.219 1.00 16.78 C +ATOM 1252 N ALA A 157 -3.603 10.438 36.873 1.00 30.42 N +ATOM 1253 CA ALA A 157 -3.826 9.268 36.023 1.00 29.60 C +ATOM 1254 C ALA A 157 -4.325 8.125 36.876 1.00 31.19 C +ATOM 1255 O ALA A 157 -3.775 7.858 37.938 1.00 34.39 O +ATOM 1256 CB ALA A 157 -2.533 8.861 35.315 1.00 26.60 C +ATOM 1257 N VAL A 158 -5.372 7.455 36.410 1.00 34.82 N +ATOM 1258 CA VAL A 158 -5.956 6.332 37.133 1.00 38.72 C +ATOM 1259 C VAL A 158 -6.223 5.201 36.166 1.00 41.25 C +ATOM 1260 O VAL A 158 -6.830 5.411 35.122 1.00 43.41 O +ATOM 1261 CB VAL A 158 -7.310 6.710 37.779 1.00 40.34 C +ATOM 1262 CG1 VAL A 158 -7.747 5.622 38.760 1.00 40.03 C +ATOM 1263 CG2 VAL A 158 -7.196 8.052 38.485 1.00 42.10 C +ATOM 1264 N ASN A 159 -5.786 3.999 36.509 1.00 46.13 N +ATOM 1265 CA ASN A 159 -6.028 2.869 35.632 1.00 51.19 C +ATOM 1266 C ASN A 159 -7.300 2.138 36.043 1.00 55.83 C +ATOM 1267 O ASN A 159 -8.031 2.587 36.933 1.00 54.71 O +ATOM 1268 CB ASN A 159 -4.824 1.911 35.621 1.00 49.46 C +ATOM 1269 CG ASN A 159 -4.617 1.207 36.940 1.00 50.50 C +ATOM 1270 OD1 ASN A 159 -5.531 1.102 37.757 1.00 50.92 O +ATOM 1271 ND2 ASN A 159 -3.404 0.711 37.155 1.00 50.71 N +ATOM 1272 N GLU A 160 -7.564 1.020 35.377 1.00 61.78 N +ATOM 1273 CA GLU A 160 -8.750 0.216 35.647 1.00 65.83 C +ATOM 1274 C GLU A 160 -8.795 -0.322 37.094 1.00 64.58 C +ATOM 1275 O GLU A 160 -9.873 -0.539 37.662 1.00 64.69 O +ATOM 1276 CB GLU A 160 -8.804 -0.936 34.637 1.00 70.17 C +ATOM 1277 CG GLU A 160 -7.742 -2.006 34.859 1.00 77.19 C +ATOM 1278 CD GLU A 160 -8.349 -3.387 35.072 1.00 82.45 C +ATOM 1279 OE1 GLU A 160 -8.829 -3.667 36.200 1.00 84.41 O +ATOM 1280 OE2 GLU A 160 -8.350 -4.190 34.108 1.00 82.93 O +ATOM 1281 N ASP A 161 -7.622 -0.524 37.685 1.00 60.96 N +ATOM 1282 CA ASP A 161 -7.527 -1.031 39.045 1.00 56.14 C +ATOM 1283 C ASP A 161 -7.531 0.087 40.092 1.00 52.07 C +ATOM 1284 O ASP A 161 -7.132 -0.121 41.237 1.00 51.06 O +ATOM 1285 CB ASP A 161 -6.257 -1.873 39.183 1.00 60.48 C +ATOM 1286 CG ASP A 161 -6.356 -3.200 38.448 1.00 62.83 C +ATOM 1287 OD1 ASP A 161 -6.043 -3.244 37.236 1.00 62.70 O +ATOM 1288 OD2 ASP A 161 -6.745 -4.199 39.090 1.00 63.11 O +ATOM 1289 N CYS A 162 -7.991 1.268 39.694 1.00 49.03 N +ATOM 1290 CA CYS A 162 -8.048 2.413 40.592 1.00 45.73 C +ATOM 1291 C CYS A 162 -6.679 2.769 41.165 1.00 43.36 C +ATOM 1292 O CYS A 162 -6.575 3.266 42.283 1.00 43.30 O +ATOM 1293 CB CYS A 162 -9.027 2.147 41.734 1.00 47.46 C +ATOM 1294 SG CYS A 162 -10.540 3.140 41.667 1.00 51.68 S +ATOM 1295 N GLU A 163 -5.626 2.484 40.408 1.00 39.49 N +ATOM 1296 CA GLU A 163 -4.275 2.816 40.835 1.00 37.05 C +ATOM 1297 C GLU A 163 -4.019 4.209 40.250 1.00 35.10 C +ATOM 1298 O GLU A 163 -4.293 4.465 39.071 1.00 32.40 O +ATOM 1299 CB GLU A 163 -3.286 1.782 40.306 1.00 38.91 C +ATOM 1300 CG GLU A 163 -3.834 0.358 40.375 1.00 44.46 C +ATOM 1301 CD GLU A 163 -2.753 -0.709 40.440 1.00 46.69 C +ATOM 1302 OE1 GLU A 163 -2.328 -1.058 41.568 1.00 46.27 O +ATOM 1303 OE2 GLU A 163 -2.340 -1.206 39.363 1.00 46.24 O +ATOM 1304 N LEU A 164 -3.508 5.110 41.088 1.00 32.71 N +ATOM 1305 CA LEU A 164 -3.291 6.500 40.701 1.00 27.75 C +ATOM 1306 C LEU A 164 -1.854 6.984 40.687 1.00 28.51 C +ATOM 1307 O LEU A 164 -1.011 6.532 41.477 1.00 28.49 O +ATOM 1308 CB LEU A 164 -4.112 7.387 41.637 1.00 24.74 C +ATOM 1309 CG LEU A 164 -4.072 8.915 41.608 1.00 24.13 C +ATOM 1310 CD1 LEU A 164 -5.434 9.420 42.109 1.00 18.26 C +ATOM 1311 CD2 LEU A 164 -2.922 9.454 42.489 1.00 19.46 C +ATOM 1312 N LYS A 165 -1.596 7.932 39.789 1.00 27.53 N +ATOM 1313 CA LYS A 165 -0.280 8.541 39.641 1.00 26.14 C +ATOM 1314 C LYS A 165 -0.437 10.053 39.506 1.00 24.15 C +ATOM 1315 O LYS A 165 -1.310 10.528 38.788 1.00 24.03 O +ATOM 1316 CB LYS A 165 0.419 7.984 38.409 1.00 29.07 C +ATOM 1317 CG LYS A 165 1.889 8.268 38.365 1.00 35.43 C +ATOM 1318 CD LYS A 165 2.598 7.243 37.519 1.00 35.67 C +ATOM 1319 CE LYS A 165 2.277 5.844 37.986 1.00 33.53 C +ATOM 1320 NZ LYS A 165 3.201 4.904 37.312 1.00 39.83 N +ATOM 1321 N ILE A 166 0.404 10.808 40.198 1.00 21.99 N +ATOM 1322 CA ILE A 166 0.320 12.257 40.143 1.00 19.99 C +ATOM 1323 C ILE A 166 1.134 12.725 38.950 1.00 21.39 C +ATOM 1324 O ILE A 166 2.298 12.382 38.831 1.00 22.15 O +ATOM 1325 CB ILE A 166 0.855 12.881 41.442 1.00 18.10 C +ATOM 1326 CG1 ILE A 166 0.014 12.383 42.624 1.00 15.89 C +ATOM 1327 CG2 ILE A 166 0.837 14.390 41.336 1.00 13.90 C +ATOM 1328 CD1 ILE A 166 0.465 12.864 44.003 1.00 13.16 C +ATOM 1329 N LEU A 167 0.509 13.507 38.071 1.00 27.28 N +ATOM 1330 CA LEU A 167 1.137 13.999 36.840 1.00 29.42 C +ATOM 1331 C LEU A 167 1.356 15.490 36.740 1.00 34.27 C +ATOM 1332 O LEU A 167 1.233 16.237 37.709 1.00 30.41 O +ATOM 1333 CB LEU A 167 0.295 13.634 35.619 1.00 28.21 C +ATOM 1334 CG LEU A 167 0.125 12.219 35.102 1.00 33.08 C +ATOM 1335 CD1 LEU A 167 0.866 11.214 35.963 1.00 34.29 C +ATOM 1336 CD2 LEU A 167 -1.367 11.941 35.070 1.00 34.23 C +ATOM 1337 N ASP A 168 1.650 15.890 35.503 1.00 43.16 N +ATOM 1338 CA ASP A 168 1.883 17.272 35.102 1.00 50.44 C +ATOM 1339 C ASP A 168 2.068 18.207 36.274 1.00 52.45 C +ATOM 1340 O ASP A 168 1.117 18.822 36.757 1.00 51.51 O +ATOM 1341 CB ASP A 168 0.728 17.773 34.205 1.00 55.38 C +ATOM 1342 CG ASP A 168 0.241 16.707 33.191 1.00 59.03 C +ATOM 1343 OD1 ASP A 168 1.068 16.141 32.426 1.00 59.37 O +ATOM 1344 OD2 ASP A 168 -0.982 16.442 33.154 1.00 60.93 O +ATOM 1345 N PHE A 169 3.319 18.306 36.708 1.00 56.76 N +ATOM 1346 CA PHE A 169 3.702 19.140 37.831 1.00 61.86 C +ATOM 1347 C PHE A 169 3.567 20.629 37.542 1.00 67.08 C +ATOM 1348 O PHE A 169 3.933 21.113 36.456 1.00 65.77 O +ATOM 1349 CB PHE A 169 5.146 18.818 38.250 1.00 60.22 C +ATOM 1350 CG PHE A 169 5.260 17.574 39.091 1.00 59.38 C +ATOM 1351 CD1 PHE A 169 5.198 16.313 38.496 1.00 54.81 C +ATOM 1352 CD2 PHE A 169 5.327 17.656 40.481 1.00 57.57 C +ATOM 1353 CE1 PHE A 169 5.191 15.162 39.268 1.00 50.90 C +ATOM 1354 CE2 PHE A 169 5.322 16.503 41.260 1.00 54.50 C +ATOM 1355 CZ PHE A 169 5.251 15.258 40.651 1.00 54.54 C +ATOM 1356 N GLY A 170 3.020 21.347 38.521 1.00 71.87 N +ATOM 1357 CA GLY A 170 2.870 22.781 38.376 1.00 79.94 C +ATOM 1358 C GLY A 170 4.256 23.403 38.319 1.00 85.07 C +ATOM 1359 O GLY A 170 4.502 24.315 37.531 1.00 85.43 O +ATOM 1360 N LEU A 171 5.170 22.899 39.152 1.00 89.53 N +ATOM 1361 CA LEU A 171 6.542 23.409 39.191 1.00 92.84 C +ATOM 1362 C LEU A 171 7.086 23.486 37.763 1.00 95.50 C +ATOM 1363 O LEU A 171 7.608 22.496 37.239 1.00 96.65 O +ATOM 1364 CB LEU A 171 7.437 22.495 40.049 1.00 90.75 C +ATOM 1365 CG LEU A 171 8.414 23.124 41.056 1.00 89.30 C +ATOM 1366 CD1 LEU A 171 9.403 22.067 41.502 1.00 87.49 C +ATOM 1367 CD2 LEU A 171 9.151 24.320 40.444 1.00 86.83 C +ATOM 1368 N ALA A 172 6.945 24.661 37.142 0.00 97.63 N +ATOM 1369 CA ALA A 172 7.409 24.895 35.771 0.00 99.39 C +ATOM 1370 C ALA A 172 6.834 26.181 35.166 0.00100.00 C +ATOM 1371 O ALA A 172 7.486 27.227 35.173 0.00100.00 O +ATOM 1372 CB ALA A 172 7.051 23.695 34.873 0.00100.00 C +ATOM 1373 N ARG A 173 5.610 26.087 34.645 0.00100.00 N +ATOM 1374 CA ARG A 173 4.924 27.215 34.013 0.00100.00 C +ATOM 1375 C ARG A 173 4.303 28.224 34.981 0.00100.00 C +ATOM 1376 O ARG A 173 3.374 27.901 35.728 0.00100.00 O +ATOM 1377 CB ARG A 173 3.833 26.703 33.060 0.00 99.63 C +ATOM 1378 CG ARG A 173 4.199 25.434 32.292 0.00 99.62 C +ATOM 1379 CD ARG A 173 3.024 24.939 31.456 0.00100.00 C +ATOM 1380 NE ARG A 173 2.130 24.076 32.225 0.00100.00 N +ATOM 1381 CZ ARG A 173 0.922 23.693 31.822 0.00100.00 C +ATOM 1382 NH1 ARG A 173 0.448 24.096 30.650 0.00100.00 N +ATOM 1383 NH2 ARG A 173 0.185 22.900 32.590 0.00100.00 N +ATOM 1384 N HIS A 174 4.828 29.448 34.948 0.00100.00 N +ATOM 1385 CA HIS A 174 4.357 30.556 35.780 0.00100.00 C +ATOM 1386 C HIS A 174 2.824 30.496 35.869 0.00100.00 C +ATOM 1387 O HIS A 174 2.136 30.329 34.852 0.00100.00 O +ATOM 1388 CB HIS A 174 4.815 31.879 35.141 0.00100.00 C +ATOM 1389 CG HIS A 174 4.835 33.055 36.073 0.00100.00 C +ATOM 1390 ND1 HIS A 174 3.889 34.057 36.018 0.00100.00 N +ATOM 1391 CD2 HIS A 174 5.714 33.421 37.037 0.00100.00 C +ATOM 1392 CE1 HIS A 174 4.184 34.990 36.905 0.00100.00 C +ATOM 1393 NE2 HIS A 174 5.286 34.629 37.536 0.00100.00 N +ATOM 1394 N THR A 175 2.303 30.610 37.092 0.00100.00 N +ATOM 1395 CA THR A 175 0.860 30.570 37.359 0.00100.00 C +ATOM 1396 C THR A 175 0.142 31.814 36.811 0.00100.00 C +ATOM 1397 O THR A 175 0.190 32.884 37.430 0.00100.00 O +ATOM 1398 CB THR A 175 0.610 30.426 38.890 0.00 99.14 C +ATOM 1399 OG1 THR A 175 0.678 29.038 39.244 0.00 98.10 O +ATOM 1400 CG2 THR A 175 -0.754 30.990 39.293 0.00 98.75 C +ATOM 1401 N ASP A 176 -0.526 31.666 35.660 0.00 98.81 N +ATOM 1402 CA ASP A 176 -1.231 32.791 35.035 0.00 96.11 C +ATOM 1403 C ASP A 176 -1.974 32.418 33.740 0.00 92.55 C +ATOM 1404 O ASP A 176 -1.845 31.305 33.223 0.00 89.99 O +ATOM 1405 CB ASP A 176 -0.220 33.905 34.704 0.00 98.12 C +ATOM 1406 CG ASP A 176 -0.394 35.151 35.563 0.00 99.02 C +ATOM 1407 OD1 ASP A 176 -1.441 35.825 35.449 0.00 98.80 O +ATOM 1408 OD2 ASP A 176 0.529 35.463 36.347 0.00 97.85 O +ATOM 1409 N ASP A 177 -2.754 33.383 33.247 1.00 89.75 N +ATOM 1410 CA ASP A 177 -3.511 33.293 31.993 1.00 85.98 C +ATOM 1411 C ASP A 177 -4.802 32.483 31.876 1.00 82.29 C +ATOM 1412 O ASP A 177 -5.817 32.986 31.386 1.00 79.33 O +ATOM 1413 CB ASP A 177 -2.578 32.849 30.869 1.00 88.46 C +ATOM 1414 CG ASP A 177 -3.237 32.936 29.519 1.00 91.91 C +ATOM 1415 OD1 ASP A 177 -3.914 33.956 29.268 1.00 93.09 O +ATOM 1416 OD2 ASP A 177 -3.083 31.990 28.717 1.00 93.01 O +ATOM 1417 N GLU A 178 -4.755 31.226 32.300 1.00 77.58 N +ATOM 1418 CA GLU A 178 -5.906 30.337 32.202 1.00 71.40 C +ATOM 1419 C GLU A 178 -6.756 30.201 33.465 1.00 65.52 C +ATOM 1420 O GLU A 178 -7.508 29.248 33.593 1.00 63.42 O +ATOM 1421 CB GLU A 178 -5.421 28.951 31.765 1.00 75.27 C +ATOM 1422 CG GLU A 178 -4.385 28.975 30.637 1.00 81.01 C +ATOM 1423 CD GLU A 178 -2.997 28.522 31.083 1.00 83.32 C +ATOM 1424 OE1 GLU A 178 -2.231 29.357 31.619 1.00 86.07 O +ATOM 1425 OE2 GLU A 178 -2.671 27.329 30.894 1.00 83.66 O +ATOM 1426 N MET A 179 -6.656 31.156 34.384 1.00 60.37 N +ATOM 1427 CA MET A 179 -7.416 31.110 35.644 1.00 54.78 C +ATOM 1428 C MET A 179 -8.641 32.025 35.731 1.00 49.04 C +ATOM 1429 O MET A 179 -9.229 32.186 36.808 1.00 43.70 O +ATOM 1430 CB MET A 179 -6.482 31.447 36.805 1.00 55.24 C +ATOM 1431 CG MET A 179 -5.100 30.898 36.627 1.00 54.89 C +ATOM 1432 SD MET A 179 -5.095 29.170 37.021 1.00 54.53 S +ATOM 1433 CE MET A 179 -3.862 29.153 38.286 1.00 57.03 C +ATOM 1434 N THR A 180 -9.012 32.615 34.601 1.00 43.18 N +ATOM 1435 CA THR A 180 -10.146 33.533 34.521 1.00 39.82 C +ATOM 1436 C THR A 180 -11.492 32.844 34.252 1.00 37.93 C +ATOM 1437 O THR A 180 -11.586 31.902 33.448 1.00 37.50 O +ATOM 1438 CB THR A 180 -9.898 34.587 33.409 1.00 38.31 C +ATOM 1439 OG1 THR A 180 -8.610 35.182 33.595 1.00 39.14 O +ATOM 1440 CG2 THR A 180 -10.938 35.668 33.450 1.00 37.87 C +ATOM 1441 N GLY A 181 -12.529 33.321 34.935 1.00 34.56 N +ATOM 1442 CA GLY A 181 -13.862 32.768 34.748 1.00 34.31 C +ATOM 1443 C GLY A 181 -14.187 31.424 35.383 1.00 33.63 C +ATOM 1444 O GLY A 181 -13.549 30.998 36.356 1.00 32.47 O +ATOM 1445 N TYR A 182 -15.207 30.774 34.815 1.00 33.52 N +ATOM 1446 CA TYR A 182 -15.706 29.463 35.246 1.00 31.68 C +ATOM 1447 C TYR A 182 -14.752 28.427 34.663 1.00 31.62 C +ATOM 1448 O TYR A 182 -15.030 27.825 33.616 1.00 31.70 O +ATOM 1449 CB TYR A 182 -17.135 29.257 34.693 1.00 29.46 C +ATOM 1450 CG TYR A 182 -17.938 28.134 35.334 1.00 28.57 C +ATOM 1451 CD1 TYR A 182 -18.333 28.210 36.678 1.00 30.82 C +ATOM 1452 CD2 TYR A 182 -18.280 26.986 34.612 1.00 25.73 C +ATOM 1453 CE1 TYR A 182 -19.051 27.162 37.297 1.00 28.94 C +ATOM 1454 CE2 TYR A 182 -18.995 25.934 35.216 1.00 28.20 C +ATOM 1455 CZ TYR A 182 -19.376 26.024 36.561 1.00 29.40 C +ATOM 1456 OH TYR A 182 -20.057 24.988 37.179 1.00 24.57 O +ATOM 1457 N VAL A 183 -13.614 28.237 35.323 1.00 29.56 N +ATOM 1458 CA VAL A 183 -12.632 27.276 34.833 1.00 29.11 C +ATOM 1459 C VAL A 183 -12.054 26.386 35.941 1.00 31.65 C +ATOM 1460 O VAL A 183 -11.630 26.869 36.998 1.00 31.11 O +ATOM 1461 CB VAL A 183 -11.485 27.999 34.055 1.00 25.31 C +ATOM 1462 CG1 VAL A 183 -12.067 28.715 32.840 1.00 21.98 C +ATOM 1463 CG2 VAL A 183 -10.755 28.990 34.962 1.00 22.84 C +ATOM 1464 N ALA A 184 -12.059 25.081 35.676 1.00 30.61 N +ATOM 1465 CA ALA A 184 -11.566 24.082 36.609 1.00 30.80 C +ATOM 1466 C ALA A 184 -10.096 24.242 36.955 1.00 30.21 C +ATOM 1467 O ALA A 184 -9.622 23.727 37.961 1.00 30.72 O +ATOM 1468 CB ALA A 184 -11.813 22.716 36.038 1.00 30.52 C +ATOM 1469 N THR A 185 -9.368 24.957 36.117 1.00 32.83 N +ATOM 1470 CA THR A 185 -7.948 25.159 36.365 1.00 36.84 C +ATOM 1471 C THR A 185 -7.715 25.959 37.646 1.00 35.90 C +ATOM 1472 O THR A 185 -6.574 26.068 38.102 1.00 42.10 O +ATOM 1473 CB THR A 185 -7.280 25.910 35.189 1.00 39.54 C +ATOM 1474 OG1 THR A 185 -8.087 27.038 34.826 1.00 45.81 O +ATOM 1475 CG2 THR A 185 -7.143 25.007 33.972 1.00 41.10 C +ATOM 1476 N ARG A 186 -8.796 26.493 38.229 1.00 31.38 N +ATOM 1477 CA ARG A 186 -8.724 27.315 39.439 1.00 24.30 C +ATOM 1478 C ARG A 186 -9.572 26.832 40.636 1.00 24.87 C +ATOM 1479 O ARG A 186 -9.360 27.257 41.782 1.00 21.67 O +ATOM 1480 CB ARG A 186 -9.131 28.748 39.081 1.00 22.16 C +ATOM 1481 CG ARG A 186 -8.517 29.836 39.943 1.00 21.38 C +ATOM 1482 CD ARG A 186 -9.325 31.106 39.825 1.00 20.89 C +ATOM 1483 NE ARG A 186 -10.745 30.837 40.018 1.00 20.64 N +ATOM 1484 CZ ARG A 186 -11.696 31.108 39.129 1.00 19.60 C +ATOM 1485 NH1 ARG A 186 -11.390 31.664 37.967 1.00 18.04 N +ATOM 1486 NH2 ARG A 186 -12.957 30.804 39.401 1.00 14.42 N +ATOM 1487 N TRP A 187 -10.518 25.936 40.378 1.00 21.64 N +ATOM 1488 CA TRP A 187 -11.398 25.451 41.434 1.00 21.39 C +ATOM 1489 C TRP A 187 -10.721 24.649 42.542 1.00 20.87 C +ATOM 1490 O TRP A 187 -11.314 24.444 43.609 1.00 18.84 O +ATOM 1491 CB TRP A 187 -12.537 24.617 40.833 1.00 20.75 C +ATOM 1492 CG TRP A 187 -13.423 25.368 39.901 1.00 18.94 C +ATOM 1493 CD1 TRP A 187 -13.665 26.707 39.893 1.00 17.78 C +ATOM 1494 CD2 TRP A 187 -14.166 24.819 38.817 1.00 18.68 C +ATOM 1495 NE1 TRP A 187 -14.516 27.027 38.867 1.00 16.74 N +ATOM 1496 CE2 TRP A 187 -14.842 25.885 38.193 1.00 15.49 C +ATOM 1497 CE3 TRP A 187 -14.330 23.524 38.315 1.00 21.31 C +ATOM 1498 CZ2 TRP A 187 -15.665 25.700 37.092 1.00 17.05 C +ATOM 1499 CZ3 TRP A 187 -15.151 23.340 37.214 1.00 22.06 C +ATOM 1500 CH2 TRP A 187 -15.811 24.426 36.618 1.00 19.60 C +ATOM 1501 N TYR A 188 -9.489 24.202 42.292 1.00 21.70 N +ATOM 1502 CA TYR A 188 -8.739 23.408 43.274 1.00 22.42 C +ATOM 1503 C TYR A 188 -7.644 24.176 44.008 1.00 22.74 C +ATOM 1504 O TYR A 188 -6.990 23.618 44.897 1.00 22.72 O +ATOM 1505 CB TYR A 188 -8.154 22.160 42.597 1.00 17.75 C +ATOM 1506 CG TYR A 188 -9.217 21.392 41.859 1.00 18.42 C +ATOM 1507 CD1 TYR A 188 -9.589 21.762 40.562 1.00 19.03 C +ATOM 1508 CD2 TYR A 188 -9.937 20.378 42.487 1.00 17.34 C +ATOM 1509 CE1 TYR A 188 -10.652 21.161 39.917 1.00 14.44 C +ATOM 1510 CE2 TYR A 188 -11.011 19.764 41.844 1.00 19.28 C +ATOM 1511 CZ TYR A 188 -11.366 20.171 40.559 1.00 17.77 C +ATOM 1512 OH TYR A 188 -12.468 19.637 39.936 1.00 18.96 O +ATOM 1513 N ARG A 189 -7.475 25.454 43.655 1.00 24.86 N +ATOM 1514 CA ARG A 189 -6.463 26.332 44.262 1.00 26.39 C +ATOM 1515 C ARG A 189 -6.794 26.877 45.648 1.00 25.57 C +ATOM 1516 O ARG A 189 -7.930 27.307 45.903 1.00 23.71 O +ATOM 1517 CB ARG A 189 -6.211 27.526 43.356 1.00 26.74 C +ATOM 1518 CG ARG A 189 -5.446 27.207 42.131 1.00 31.79 C +ATOM 1519 CD ARG A 189 -5.021 28.496 41.473 1.00 41.28 C +ATOM 1520 NE ARG A 189 -3.572 28.588 41.438 1.00 46.33 N +ATOM 1521 CZ ARG A 189 -2.798 27.670 40.873 1.00 49.04 C +ATOM 1522 NH1 ARG A 189 -3.337 26.596 40.300 1.00 50.32 N +ATOM 1523 NH2 ARG A 189 -1.485 27.817 40.890 1.00 52.51 N +ATOM 1524 N ALA A 190 -5.795 26.874 46.534 1.00 24.38 N +ATOM 1525 CA ALA A 190 -5.975 27.410 47.881 1.00 22.67 C +ATOM 1526 C ALA A 190 -6.200 28.908 47.680 1.00 24.57 C +ATOM 1527 O ALA A 190 -5.623 29.523 46.767 1.00 23.17 O +ATOM 1528 CB ALA A 190 -4.722 27.164 48.732 1.00 21.15 C +ATOM 1529 N PRO A 191 -7.035 29.522 48.528 1.00 25.03 N +ATOM 1530 CA PRO A 191 -7.328 30.955 48.419 1.00 26.17 C +ATOM 1531 C PRO A 191 -6.085 31.839 48.416 1.00 29.00 C +ATOM 1532 O PRO A 191 -5.983 32.773 47.621 1.00 31.87 O +ATOM 1533 CB PRO A 191 -8.229 31.236 49.624 1.00 26.71 C +ATOM 1534 CG PRO A 191 -8.058 30.053 50.541 1.00 25.49 C +ATOM 1535 CD PRO A 191 -7.731 28.894 49.663 1.00 25.22 C +ATOM 1536 N GLU A 192 -5.144 31.530 49.304 1.00 29.60 N +ATOM 1537 CA GLU A 192 -3.913 32.305 49.429 1.00 30.49 C +ATOM 1538 C GLU A 192 -2.999 32.265 48.204 1.00 29.70 C +ATOM 1539 O GLU A 192 -2.291 33.225 47.949 1.00 30.03 O +ATOM 1540 CB GLU A 192 -3.137 31.886 50.701 1.00 30.92 C +ATOM 1541 CG GLU A 192 -2.337 30.577 50.611 1.00 31.35 C +ATOM 1542 CD GLU A 192 -3.143 29.347 51.032 1.00 30.49 C +ATOM 1543 OE1 GLU A 192 -4.357 29.488 51.310 1.00 28.50 O +ATOM 1544 OE2 GLU A 192 -2.559 28.241 51.080 1.00 29.62 O +ATOM 1545 N ILE A 193 -2.987 31.168 47.453 1.00 29.67 N +ATOM 1546 CA ILE A 193 -2.155 31.126 46.256 1.00 29.43 C +ATOM 1547 C ILE A 193 -2.997 31.722 45.119 1.00 30.88 C +ATOM 1548 O ILE A 193 -2.473 32.366 44.215 1.00 31.97 O +ATOM 1549 CB ILE A 193 -1.682 29.671 45.924 1.00 28.79 C +ATOM 1550 CG1 ILE A 193 -0.912 29.641 44.605 1.00 32.16 C +ATOM 1551 CG2 ILE A 193 -2.851 28.734 45.831 1.00 32.35 C +ATOM 1552 CD1 ILE A 193 -0.216 28.303 44.333 1.00 33.06 C +ATOM 1553 N MET A 194 -4.314 31.551 45.207 1.00 31.86 N +ATOM 1554 CA MET A 194 -5.239 32.071 44.199 1.00 30.68 C +ATOM 1555 C MET A 194 -5.325 33.599 44.142 1.00 30.20 C +ATOM 1556 O MET A 194 -5.403 34.179 43.063 1.00 27.31 O +ATOM 1557 CB MET A 194 -6.639 31.496 44.440 1.00 30.65 C +ATOM 1558 CG MET A 194 -7.716 32.083 43.551 1.00 28.19 C +ATOM 1559 SD MET A 194 -9.308 31.267 43.762 1.00 28.11 S +ATOM 1560 CE MET A 194 -10.062 32.350 44.982 1.00 24.02 C +ATOM 1561 N LEU A 195 -5.331 34.238 45.305 1.00 31.32 N +ATOM 1562 CA LEU A 195 -5.407 35.691 45.388 1.00 31.45 C +ATOM 1563 C LEU A 195 -4.058 36.275 45.790 1.00 31.78 C +ATOM 1564 O LEU A 195 -3.958 37.446 46.154 1.00 29.78 O +ATOM 1565 CB LEU A 195 -6.453 36.105 46.419 1.00 29.18 C +ATOM 1566 CG LEU A 195 -7.815 36.633 45.969 1.00 32.25 C +ATOM 1567 CD1 LEU A 195 -7.907 36.797 44.446 1.00 30.49 C +ATOM 1568 CD2 LEU A 195 -8.850 35.665 46.475 1.00 31.94 C +ATOM 1569 N ASN A 196 -3.026 35.442 45.732 1.00 32.92 N +ATOM 1570 CA ASN A 196 -1.673 35.853 46.084 1.00 36.49 C +ATOM 1571 C ASN A 196 -1.567 36.605 47.406 1.00 35.40 C +ATOM 1572 O ASN A 196 -0.864 37.594 47.508 1.00 35.56 O +ATOM 1573 CB ASN A 196 -1.074 36.715 44.973 1.00 41.70 C +ATOM 1574 CG ASN A 196 0.390 36.414 44.753 1.00 49.58 C +ATOM 1575 OD1 ASN A 196 1.227 37.319 44.645 1.00 52.70 O +ATOM 1576 ND2 ASN A 196 0.714 35.125 44.692 1.00 52.22 N +ATOM 1577 N TRP A 197 -2.252 36.110 48.421 1.00 35.63 N +ATOM 1578 CA TRP A 197 -2.258 36.729 49.736 1.00 37.30 C +ATOM 1579 C TRP A 197 -0.905 36.698 50.442 1.00 40.37 C +ATOM 1580 O TRP A 197 -0.530 37.643 51.148 1.00 41.26 O +ATOM 1581 CB TRP A 197 -3.249 36.002 50.627 1.00 36.62 C +ATOM 1582 CG TRP A 197 -4.658 36.262 50.338 1.00 33.10 C +ATOM 1583 CD1 TRP A 197 -5.183 37.282 49.594 1.00 31.71 C +ATOM 1584 CD2 TRP A 197 -5.759 35.546 50.883 1.00 32.35 C +ATOM 1585 NE1 TRP A 197 -6.553 37.245 49.653 1.00 31.46 N +ATOM 1586 CE2 TRP A 197 -6.936 36.190 50.440 1.00 33.31 C +ATOM 1587 CE3 TRP A 197 -5.868 34.418 51.712 1.00 34.09 C +ATOM 1588 CZ2 TRP A 197 -8.216 35.743 50.800 1.00 34.84 C +ATOM 1589 CZ3 TRP A 197 -7.137 33.972 52.075 1.00 33.92 C +ATOM 1590 CH2 TRP A 197 -8.297 34.637 51.619 1.00 35.23 C +ATOM 1591 N MET A 198 -0.194 35.589 50.271 1.00 42.42 N +ATOM 1592 CA MET A 198 1.089 35.398 50.923 1.00 45.66 C +ATOM 1593 C MET A 198 1.930 34.420 50.118 1.00 49.05 C +ATOM 1594 O MET A 198 1.514 33.957 49.049 1.00 48.47 O +ATOM 1595 CB MET A 198 0.859 34.816 52.312 1.00 44.97 C +ATOM 1596 CG MET A 198 0.194 33.446 52.272 1.00 44.62 C +ATOM 1597 SD MET A 198 -0.582 33.029 53.845 1.00 47.55 S +ATOM 1598 CE MET A 198 -2.090 33.965 53.762 1.00 45.94 C +ATOM 1599 N HIS A 199 3.122 34.124 50.632 1.00 53.62 N +ATOM 1600 CA HIS A 199 4.012 33.169 49.988 1.00 57.73 C +ATOM 1601 C HIS A 199 3.426 31.856 50.464 1.00 58.17 C +ATOM 1602 O HIS A 199 3.354 31.612 51.670 1.00 58.49 O +ATOM 1603 CB HIS A 199 5.456 33.330 50.491 1.00 63.05 C +ATOM 1604 CG HIS A 199 6.247 34.370 49.750 1.00 71.61 C +ATOM 1605 ND1 HIS A 199 7.591 34.228 49.471 1.00 75.65 N +ATOM 1606 CD2 HIS A 199 5.884 35.573 49.237 1.00 74.65 C +ATOM 1607 CE1 HIS A 199 8.021 35.295 48.819 1.00 77.14 C +ATOM 1608 NE2 HIS A 199 7.005 36.126 48.664 1.00 76.81 N +ATOM 1609 N TYR A 200 2.982 31.026 49.525 1.00 57.15 N +ATOM 1610 CA TYR A 200 2.369 29.746 49.857 1.00 56.32 C +ATOM 1611 C TYR A 200 3.374 28.661 50.231 1.00 53.48 C +ATOM 1612 O TYR A 200 4.536 28.698 49.828 1.00 51.94 O +ATOM 1613 CB TYR A 200 1.541 29.261 48.674 1.00 58.78 C +ATOM 1614 CG TYR A 200 2.393 29.022 47.457 1.00 63.44 C +ATOM 1615 CD1 TYR A 200 3.252 27.924 47.393 1.00 64.54 C +ATOM 1616 CD2 TYR A 200 2.414 29.939 46.410 1.00 64.56 C +ATOM 1617 CE1 TYR A 200 4.115 27.751 46.330 1.00 65.58 C +ATOM 1618 CE2 TYR A 200 3.277 29.773 45.337 1.00 64.97 C +ATOM 1619 CZ TYR A 200 4.128 28.681 45.309 1.00 66.42 C +ATOM 1620 OH TYR A 200 5.031 28.539 44.283 1.00 71.69 O +ATOM 1621 N ASN A 201 2.911 27.691 51.005 1.00 50.57 N +ATOM 1622 CA ASN A 201 3.751 26.576 51.408 1.00 48.11 C +ATOM 1623 C ASN A 201 3.210 25.300 50.760 1.00 44.03 C +ATOM 1624 O ASN A 201 2.392 25.356 49.832 1.00 43.78 O +ATOM 1625 CB ASN A 201 3.778 26.434 52.931 1.00 51.23 C +ATOM 1626 CG ASN A 201 2.405 26.210 53.521 1.00 57.65 C +ATOM 1627 OD1 ASN A 201 2.273 25.742 54.661 1.00 60.92 O +ATOM 1628 ND2 ASN A 201 1.365 26.543 52.756 1.00 60.56 N +ATOM 1629 N GLN A 202 3.662 24.151 51.238 1.00 36.86 N +ATOM 1630 CA GLN A 202 3.235 22.888 50.665 1.00 31.54 C +ATOM 1631 C GLN A 202 1.790 22.525 50.921 1.00 29.14 C +ATOM 1632 O GLN A 202 1.224 21.685 50.219 1.00 30.39 O +ATOM 1633 CB GLN A 202 4.116 21.776 51.188 1.00 31.71 C +ATOM 1634 CG GLN A 202 5.580 22.036 51.012 1.00 34.60 C +ATOM 1635 CD GLN A 202 6.400 20.955 51.651 1.00 35.81 C +ATOM 1636 OE1 GLN A 202 7.495 20.638 51.185 1.00 40.79 O +ATOM 1637 NE2 GLN A 202 5.876 20.371 52.735 1.00 33.09 N +ATOM 1638 N THR A 203 1.188 23.147 51.927 1.00 27.68 N +ATOM 1639 CA THR A 203 -0.192 22.847 52.251 1.00 26.92 C +ATOM 1640 C THR A 203 -1.167 23.361 51.206 1.00 23.94 C +ATOM 1641 O THR A 203 -2.369 23.147 51.313 1.00 25.94 O +ATOM 1642 CB THR A 203 -0.589 23.397 53.629 1.00 28.67 C +ATOM 1643 OG1 THR A 203 -0.115 24.735 53.764 1.00 29.04 O +ATOM 1644 CG2 THR A 203 0.001 22.522 54.738 1.00 28.85 C +ATOM 1645 N VAL A 204 -0.674 24.046 50.192 1.00 20.75 N +ATOM 1646 CA VAL A 204 -1.595 24.498 49.169 1.00 21.09 C +ATOM 1647 C VAL A 204 -2.038 23.231 48.437 1.00 19.28 C +ATOM 1648 O VAL A 204 -3.151 23.154 47.920 1.00 19.28 O +ATOM 1649 CB VAL A 204 -0.922 25.493 48.179 1.00 21.42 C +ATOM 1650 CG1 VAL A 204 -0.471 26.744 48.946 1.00 19.85 C +ATOM 1651 CG2 VAL A 204 0.270 24.820 47.449 1.00 21.64 C +ATOM 1652 N ASP A 205 -1.163 22.228 48.416 1.00 17.53 N +ATOM 1653 CA ASP A 205 -1.474 20.974 47.750 1.00 18.42 C +ATOM 1654 C ASP A 205 -2.509 20.200 48.567 1.00 21.73 C +ATOM 1655 O ASP A 205 -3.375 19.504 48.004 1.00 22.57 O +ATOM 1656 CB ASP A 205 -0.205 20.145 47.574 1.00 18.77 C +ATOM 1657 CG ASP A 205 0.726 20.718 46.513 1.00 21.75 C +ATOM 1658 OD1 ASP A 205 0.258 21.452 45.612 1.00 18.40 O +ATOM 1659 OD2 ASP A 205 1.935 20.426 46.587 1.00 23.32 O +ATOM 1660 N ILE A 206 -2.422 20.327 49.893 1.00 21.99 N +ATOM 1661 CA ILE A 206 -3.370 19.658 50.779 1.00 21.42 C +ATOM 1662 C ILE A 206 -4.763 20.252 50.565 1.00 21.86 C +ATOM 1663 O ILE A 206 -5.761 19.521 50.572 1.00 24.55 O +ATOM 1664 CB ILE A 206 -3.002 19.808 52.296 1.00 22.22 C +ATOM 1665 CG1 ILE A 206 -1.748 18.990 52.635 1.00 19.55 C +ATOM 1666 CG2 ILE A 206 -4.183 19.326 53.161 1.00 20.35 C +ATOM 1667 CD1 ILE A 206 -1.947 17.494 52.538 1.00 16.33 C +ATOM 1668 N TRP A 207 -4.853 21.567 50.378 1.00 19.90 N +ATOM 1669 CA TRP A 207 -6.164 22.171 50.158 1.00 16.00 C +ATOM 1670 C TRP A 207 -6.765 21.556 48.899 1.00 15.12 C +ATOM 1671 O TRP A 207 -7.955 21.270 48.853 1.00 13.92 O +ATOM 1672 CB TRP A 207 -6.035 23.679 50.001 1.00 14.05 C +ATOM 1673 CG TRP A 207 -7.310 24.347 49.655 1.00 15.11 C +ATOM 1674 CD1 TRP A 207 -7.866 24.457 48.404 1.00 17.71 C +ATOM 1675 CD2 TRP A 207 -8.204 25.017 50.555 1.00 16.08 C +ATOM 1676 NE1 TRP A 207 -9.047 25.153 48.472 1.00 20.22 N +ATOM 1677 CE2 TRP A 207 -9.284 25.511 49.778 1.00 18.71 C +ATOM 1678 CE3 TRP A 207 -8.201 25.250 51.941 1.00 17.49 C +ATOM 1679 CZ2 TRP A 207 -10.359 26.227 50.346 1.00 16.95 C +ATOM 1680 CZ3 TRP A 207 -9.269 25.960 52.503 1.00 19.06 C +ATOM 1681 CH2 TRP A 207 -10.335 26.440 51.698 1.00 16.18 C +ATOM 1682 N SER A 208 -5.914 21.341 47.896 1.00 13.27 N +ATOM 1683 CA SER A 208 -6.309 20.748 46.619 1.00 13.94 C +ATOM 1684 C SER A 208 -6.857 19.338 46.791 1.00 15.02 C +ATOM 1685 O SER A 208 -7.875 18.981 46.191 1.00 16.68 O +ATOM 1686 CB SER A 208 -5.116 20.733 45.671 1.00 13.71 C +ATOM 1687 OG SER A 208 -4.711 22.057 45.360 1.00 12.48 O +ATOM 1688 N VAL A 209 -6.178 18.528 47.599 1.00 16.53 N +ATOM 1689 CA VAL A 209 -6.643 17.162 47.867 1.00 17.39 C +ATOM 1690 C VAL A 209 -8.038 17.195 48.485 1.00 17.05 C +ATOM 1691 O VAL A 209 -8.867 16.355 48.183 1.00 19.52 O +ATOM 1692 CB VAL A 209 -5.731 16.421 48.856 1.00 14.22 C +ATOM 1693 CG1 VAL A 209 -6.295 15.045 49.143 1.00 15.06 C +ATOM 1694 CG2 VAL A 209 -4.338 16.320 48.284 1.00 15.96 C +ATOM 1695 N GLY A 210 -8.281 18.164 49.365 1.00 19.76 N +ATOM 1696 CA GLY A 210 -9.578 18.282 50.004 1.00 18.00 C +ATOM 1697 C GLY A 210 -10.670 18.534 48.990 1.00 17.97 C +ATOM 1698 O GLY A 210 -11.751 17.943 49.059 1.00 20.49 O +ATOM 1699 N CYS A 211 -10.388 19.418 48.039 1.00 17.83 N +ATOM 1700 CA CYS A 211 -11.349 19.750 46.993 1.00 16.69 C +ATOM 1701 C CYS A 211 -11.621 18.508 46.168 1.00 16.33 C +ATOM 1702 O CYS A 211 -12.771 18.209 45.852 1.00 15.93 O +ATOM 1703 CB CYS A 211 -10.806 20.861 46.079 1.00 14.53 C +ATOM 1704 SG CYS A 211 -10.614 22.468 46.890 1.00 17.73 S +ATOM 1705 N ILE A 212 -10.555 17.793 45.813 1.00 17.84 N +ATOM 1706 CA ILE A 212 -10.680 16.566 45.025 1.00 18.90 C +ATOM 1707 C ILE A 212 -11.497 15.524 45.808 1.00 18.45 C +ATOM 1708 O ILE A 212 -12.493 14.989 45.315 1.00 17.55 O +ATOM 1709 CB ILE A 212 -9.282 16.007 44.674 1.00 18.36 C +ATOM 1710 CG1 ILE A 212 -8.612 16.929 43.649 1.00 16.35 C +ATOM 1711 CG2 ILE A 212 -9.403 14.597 44.098 1.00 18.59 C +ATOM 1712 CD1 ILE A 212 -7.108 16.780 43.582 1.00 17.83 C +ATOM 1713 N MET A 213 -11.074 15.260 47.036 1.00 19.16 N +ATOM 1714 CA MET A 213 -11.759 14.322 47.912 1.00 20.62 C +ATOM 1715 C MET A 213 -13.255 14.653 48.065 1.00 21.94 C +ATOM 1716 O MET A 213 -14.107 13.768 47.939 1.00 26.24 O +ATOM 1717 CB MET A 213 -11.096 14.316 49.301 1.00 18.25 C +ATOM 1718 CG MET A 213 -11.902 13.555 50.351 1.00 21.39 C +ATOM 1719 SD MET A 213 -10.967 13.054 51.798 1.00 21.48 S +ATOM 1720 CE MET A 213 -12.254 12.364 52.830 1.00 20.74 C +ATOM 1721 N ALA A 214 -13.580 15.912 48.353 1.00 22.27 N +ATOM 1722 CA ALA A 214 -14.975 16.294 48.525 1.00 19.83 C +ATOM 1723 C ALA A 214 -15.752 16.065 47.230 1.00 20.85 C +ATOM 1724 O ALA A 214 -16.931 15.727 47.247 1.00 23.29 O +ATOM 1725 CB ALA A 214 -15.060 17.735 48.939 1.00 16.57 C +ATOM 1726 N GLU A 215 -15.089 16.233 46.096 1.00 18.97 N +ATOM 1727 CA GLU A 215 -15.757 16.032 44.830 1.00 16.44 C +ATOM 1728 C GLU A 215 -15.946 14.553 44.504 1.00 19.04 C +ATOM 1729 O GLU A 215 -16.821 14.195 43.718 1.00 18.34 O +ATOM 1730 CB GLU A 215 -14.959 16.707 43.730 1.00 19.62 C +ATOM 1731 CG GLU A 215 -15.605 16.632 42.377 1.00 19.01 C +ATOM 1732 CD GLU A 215 -14.814 17.369 41.350 1.00 22.46 C +ATOM 1733 OE1 GLU A 215 -14.075 18.297 41.737 1.00 23.48 O +ATOM 1734 OE2 GLU A 215 -14.923 17.026 40.158 1.00 27.45 O +ATOM 1735 N LEU A 216 -15.123 13.692 45.100 1.00 20.84 N +ATOM 1736 CA LEU A 216 -15.224 12.254 44.856 1.00 20.95 C +ATOM 1737 C LEU A 216 -16.406 11.719 45.641 1.00 21.50 C +ATOM 1738 O LEU A 216 -17.057 10.754 45.234 1.00 22.08 O +ATOM 1739 CB LEU A 216 -13.943 11.531 45.301 1.00 22.07 C +ATOM 1740 CG LEU A 216 -12.727 11.686 44.383 1.00 21.46 C +ATOM 1741 CD1 LEU A 216 -11.604 10.752 44.763 1.00 20.69 C +ATOM 1742 CD2 LEU A 216 -13.160 11.410 42.997 1.00 19.95 C +ATOM 1743 N LEU A 217 -16.686 12.370 46.766 1.00 21.71 N +ATOM 1744 CA LEU A 217 -17.783 11.977 47.643 1.00 21.05 C +ATOM 1745 C LEU A 217 -19.155 12.475 47.181 1.00 22.56 C +ATOM 1746 O LEU A 217 -20.125 11.720 47.157 1.00 26.08 O +ATOM 1747 CB LEU A 217 -17.515 12.485 49.063 1.00 18.68 C +ATOM 1748 CG LEU A 217 -16.314 11.882 49.785 1.00 19.35 C +ATOM 1749 CD1 LEU A 217 -15.828 12.821 50.861 1.00 17.79 C +ATOM 1750 CD2 LEU A 217 -16.719 10.543 50.373 1.00 17.94 C +ATOM 1751 N THR A 218 -19.232 13.745 46.814 1.00 21.78 N +ATOM 1752 CA THR A 218 -20.491 14.337 46.399 1.00 20.21 C +ATOM 1753 C THR A 218 -20.751 14.210 44.923 1.00 22.19 C +ATOM 1754 O THR A 218 -21.900 14.259 44.485 1.00 24.12 O +ATOM 1755 CB THR A 218 -20.514 15.822 46.701 1.00 19.19 C +ATOM 1756 OG1 THR A 218 -19.580 16.478 45.832 1.00 20.34 O +ATOM 1757 CG2 THR A 218 -20.142 16.080 48.148 1.00 12.99 C +ATOM 1758 N GLY A 219 -19.680 14.078 44.154 1.00 23.01 N +ATOM 1759 CA GLY A 219 -19.813 13.984 42.712 1.00 23.62 C +ATOM 1760 C GLY A 219 -19.945 15.369 42.087 1.00 25.64 C +ATOM 1761 O GLY A 219 -20.207 15.496 40.889 1.00 25.86 O +ATOM 1762 N ARG A 220 -19.745 16.404 42.907 1.00 25.55 N +ATOM 1763 CA ARG A 220 -19.849 17.803 42.485 1.00 24.09 C +ATOM 1764 C ARG A 220 -18.582 18.571 42.832 1.00 25.10 C +ATOM 1765 O ARG A 220 -17.888 18.245 43.799 1.00 24.98 O +ATOM 1766 CB ARG A 220 -20.998 18.515 43.215 1.00 25.35 C +ATOM 1767 CG ARG A 220 -22.334 17.847 43.171 1.00 28.62 C +ATOM 1768 CD ARG A 220 -22.938 18.001 41.802 1.00 33.07 C +ATOM 1769 NE ARG A 220 -23.729 16.824 41.466 1.00 42.94 N +ATOM 1770 CZ ARG A 220 -24.049 16.453 40.225 1.00 44.63 C +ATOM 1771 NH1 ARG A 220 -23.633 17.163 39.169 1.00 42.26 N +ATOM 1772 NH2 ARG A 220 -24.783 15.359 40.039 1.00 44.34 N +ATOM 1773 N THR A 221 -18.297 19.605 42.053 1.00 21.69 N +ATOM 1774 CA THR A 221 -17.153 20.456 42.332 1.00 22.04 C +ATOM 1775 C THR A 221 -17.432 21.220 43.629 1.00 21.59 C +ATOM 1776 O THR A 221 -18.490 21.826 43.792 1.00 20.03 O +ATOM 1777 CB THR A 221 -16.951 21.470 41.229 1.00 19.60 C +ATOM 1778 OG1 THR A 221 -16.985 20.796 39.971 1.00 20.77 O +ATOM 1779 CG2 THR A 221 -15.626 22.189 41.404 1.00 18.14 C +ATOM 1780 N LEU A 222 -16.483 21.190 44.552 1.00 21.05 N +ATOM 1781 CA LEU A 222 -16.672 21.876 45.807 1.00 19.74 C +ATOM 1782 C LEU A 222 -16.808 23.397 45.631 1.00 20.65 C +ATOM 1783 O LEU A 222 -17.799 23.991 46.076 1.00 22.10 O +ATOM 1784 CB LEU A 222 -15.531 21.526 46.779 1.00 18.76 C +ATOM 1785 CG LEU A 222 -15.713 22.058 48.212 1.00 18.19 C +ATOM 1786 CD1 LEU A 222 -17.031 21.532 48.821 1.00 14.68 C +ATOM 1787 CD2 LEU A 222 -14.521 21.662 49.063 1.00 14.62 C +ATOM 1788 N PHE A 223 -15.845 24.039 44.979 1.00 17.03 N +ATOM 1789 CA PHE A 223 -15.926 25.489 44.816 1.00 16.55 C +ATOM 1790 C PHE A 223 -15.920 25.907 43.355 1.00 19.36 C +ATOM 1791 O PHE A 223 -14.939 26.481 42.892 1.00 19.28 O +ATOM 1792 CB PHE A 223 -14.752 26.158 45.526 1.00 15.07 C +ATOM 1793 CG PHE A 223 -14.586 25.743 46.961 1.00 12.02 C +ATOM 1794 CD1 PHE A 223 -15.591 25.996 47.894 1.00 10.58 C +ATOM 1795 CD2 PHE A 223 -13.411 25.135 47.388 1.00 7.42 C +ATOM 1796 CE1 PHE A 223 -15.423 25.649 49.241 1.00 14.62 C +ATOM 1797 CE2 PHE A 223 -13.231 24.784 48.724 1.00 10.94 C +ATOM 1798 CZ PHE A 223 -14.236 25.041 49.657 1.00 13.10 C +ATOM 1799 N PRO A 224 -17.032 25.677 42.618 1.00 20.76 N +ATOM 1800 CA PRO A 224 -17.088 26.047 41.197 1.00 17.92 C +ATOM 1801 C PRO A 224 -17.330 27.541 40.977 1.00 20.24 C +ATOM 1802 O PRO A 224 -18.348 27.941 40.402 1.00 21.69 O +ATOM 1803 CB PRO A 224 -18.229 25.196 40.662 1.00 16.79 C +ATOM 1804 CG PRO A 224 -19.166 25.080 41.827 1.00 17.16 C +ATOM 1805 CD PRO A 224 -18.320 25.112 43.081 1.00 19.82 C +ATOM 1806 N GLY A 225 -16.382 28.364 41.415 1.00 19.91 N +ATOM 1807 CA GLY A 225 -16.542 29.794 41.262 1.00 19.16 C +ATOM 1808 C GLY A 225 -16.538 30.216 39.817 1.00 20.68 C +ATOM 1809 O GLY A 225 -15.849 29.608 38.997 1.00 18.49 O +ATOM 1810 N THR A 226 -17.313 31.254 39.508 1.00 21.98 N +ATOM 1811 CA THR A 226 -17.398 31.784 38.152 1.00 21.48 C +ATOM 1812 C THR A 226 -16.246 32.752 37.935 1.00 22.05 C +ATOM 1813 O THR A 226 -16.059 33.258 36.835 1.00 24.39 O +ATOM 1814 CB THR A 226 -18.704 32.533 37.932 1.00 20.71 C +ATOM 1815 OG1 THR A 226 -18.838 33.536 38.944 1.00 22.79 O +ATOM 1816 CG2 THR A 226 -19.895 31.573 38.005 1.00 17.23 C +ATOM 1817 N ASP A 227 -15.499 33.022 39.007 1.00 22.82 N +ATOM 1818 CA ASP A 227 -14.325 33.891 38.967 1.00 21.93 C +ATOM 1819 C ASP A 227 -13.686 33.950 40.337 1.00 25.05 C +ATOM 1820 O ASP A 227 -14.297 33.527 41.313 1.00 28.49 O +ATOM 1821 CB ASP A 227 -14.688 35.287 38.515 1.00 26.80 C +ATOM 1822 CG ASP A 227 -15.633 35.969 39.456 1.00 32.06 C +ATOM 1823 OD1 ASP A 227 -15.165 36.547 40.461 1.00 35.77 O +ATOM 1824 OD2 ASP A 227 -16.853 35.930 39.185 1.00 39.28 O +ATOM 1825 N HIS A 228 -12.462 34.478 40.405 1.00 26.93 N +ATOM 1826 CA HIS A 228 -11.682 34.580 41.657 1.00 23.31 C +ATOM 1827 C HIS A 228 -12.424 34.982 42.917 1.00 23.08 C +ATOM 1828 O HIS A 228 -12.314 34.308 43.946 1.00 19.51 O +ATOM 1829 CB HIS A 228 -10.524 35.552 41.476 1.00 25.19 C +ATOM 1830 CG HIS A 228 -9.481 35.081 40.516 1.00 28.32 C +ATOM 1831 ND1 HIS A 228 -8.196 34.768 40.908 1.00 28.99 N +ATOM 1832 CD2 HIS A 228 -9.525 34.891 39.177 1.00 25.69 C +ATOM 1833 CE1 HIS A 228 -7.491 34.404 39.852 1.00 28.76 C +ATOM 1834 NE2 HIS A 228 -8.274 34.470 38.788 1.00 30.24 N +ATOM 1835 N ILE A 229 -13.142 36.107 42.834 1.00 24.62 N +ATOM 1836 CA ILE A 229 -13.917 36.651 43.946 1.00 20.41 C +ATOM 1837 C ILE A 229 -15.110 35.755 44.235 1.00 21.64 C +ATOM 1838 O ILE A 229 -15.388 35.444 45.392 1.00 24.24 O +ATOM 1839 CB ILE A 229 -14.444 38.094 43.649 1.00 20.50 C +ATOM 1840 CG1 ILE A 229 -13.322 39.131 43.772 1.00 20.54 C +ATOM 1841 CG2 ILE A 229 -15.530 38.463 44.636 1.00 19.73 C +ATOM 1842 CD1 ILE A 229 -12.141 38.704 44.588 1.00 18.32 C +ATOM 1843 N ASP A 230 -15.823 35.341 43.193 1.00 17.44 N +ATOM 1844 CA ASP A 230 -16.973 34.493 43.426 1.00 19.18 C +ATOM 1845 C ASP A 230 -16.510 33.231 44.121 1.00 19.96 C +ATOM 1846 O ASP A 230 -17.194 32.726 45.009 1.00 22.09 O +ATOM 1847 CB ASP A 230 -17.691 34.125 42.122 1.00 22.16 C +ATOM 1848 CG ASP A 230 -18.914 33.216 42.358 1.00 26.06 C +ATOM 1849 OD1 ASP A 230 -19.800 33.603 43.161 1.00 24.90 O +ATOM 1850 OD2 ASP A 230 -18.982 32.117 41.743 1.00 23.84 O +ATOM 1851 N GLN A 231 -15.339 32.732 43.741 1.00 18.60 N +ATOM 1852 CA GLN A 231 -14.829 31.516 44.346 1.00 16.81 C +ATOM 1853 C GLN A 231 -14.408 31.759 45.782 1.00 18.99 C +ATOM 1854 O GLN A 231 -14.699 30.956 46.670 1.00 20.13 O +ATOM 1855 CB GLN A 231 -13.656 30.978 43.557 1.00 15.15 C +ATOM 1856 CG GLN A 231 -13.185 29.637 44.050 1.00 17.22 C +ATOM 1857 CD GLN A 231 -12.171 29.036 43.124 1.00 18.86 C +ATOM 1858 OE1 GLN A 231 -12.203 29.292 41.922 1.00 24.43 O +ATOM 1859 NE2 GLN A 231 -11.261 28.231 43.663 1.00 18.23 N +ATOM 1860 N LEU A 232 -13.718 32.863 46.018 1.00 18.65 N +ATOM 1861 CA LEU A 232 -13.290 33.188 47.373 1.00 20.82 C +ATOM 1862 C LEU A 232 -14.518 33.171 48.282 1.00 20.08 C +ATOM 1863 O LEU A 232 -14.490 32.652 49.397 1.00 18.71 O +ATOM 1864 CB LEU A 232 -12.642 34.588 47.396 1.00 20.87 C +ATOM 1865 CG LEU A 232 -12.400 35.187 48.783 1.00 21.71 C +ATOM 1866 CD1 LEU A 232 -11.529 34.210 49.586 1.00 23.62 C +ATOM 1867 CD2 LEU A 232 -11.747 36.544 48.676 1.00 21.65 C +ATOM 1868 N LYS A 233 -15.597 33.751 47.768 1.00 22.80 N +ATOM 1869 CA LYS A 233 -16.871 33.858 48.471 1.00 22.27 C +ATOM 1870 C LYS A 233 -17.394 32.477 48.874 1.00 21.53 C +ATOM 1871 O LYS A 233 -17.763 32.247 50.022 1.00 20.17 O +ATOM 1872 CB LYS A 233 -17.883 34.574 47.555 1.00 21.72 C +ATOM 1873 CG LYS A 233 -18.417 35.882 48.102 1.00 22.03 C +ATOM 1874 CD LYS A 233 -17.791 37.075 47.433 1.00 21.43 C +ATOM 1875 CE LYS A 233 -18.720 37.611 46.384 1.00 25.89 C +ATOM 1876 NZ LYS A 233 -18.787 39.091 46.401 1.00 28.42 N +ATOM 1877 N LEU A 234 -17.421 31.570 47.903 1.00 21.12 N +ATOM 1878 CA LEU A 234 -17.878 30.206 48.122 1.00 18.57 C +ATOM 1879 C LEU A 234 -17.018 29.563 49.209 1.00 18.74 C +ATOM 1880 O LEU A 234 -17.519 28.886 50.108 1.00 20.39 O +ATOM 1881 CB LEU A 234 -17.754 29.386 46.821 1.00 15.77 C +ATOM 1882 CG LEU A 234 -18.658 29.643 45.596 1.00 15.09 C +ATOM 1883 CD1 LEU A 234 -18.406 28.574 44.558 1.00 11.84 C +ATOM 1884 CD2 LEU A 234 -20.125 29.634 45.989 1.00 10.39 C +ATOM 1885 N ILE A 235 -15.713 29.778 49.119 1.00 20.39 N +ATOM 1886 CA ILE A 235 -14.795 29.206 50.087 1.00 18.03 C +ATOM 1887 C ILE A 235 -15.117 29.698 51.492 1.00 18.04 C +ATOM 1888 O ILE A 235 -15.358 28.902 52.384 1.00 19.78 O +ATOM 1889 CB ILE A 235 -13.324 29.541 49.718 1.00 15.50 C +ATOM 1890 CG1 ILE A 235 -13.037 29.054 48.291 1.00 16.25 C +ATOM 1891 CG2 ILE A 235 -12.366 28.914 50.725 1.00 15.89 C +ATOM 1892 CD1 ILE A 235 -11.574 29.043 47.875 1.00 16.15 C +ATOM 1893 N LEU A 236 -15.149 31.008 51.684 1.00 18.24 N +ATOM 1894 CA LEU A 236 -15.424 31.554 53.001 1.00 19.35 C +ATOM 1895 C LEU A 236 -16.800 31.171 53.582 1.00 19.85 C +ATOM 1896 O LEU A 236 -16.987 31.114 54.809 1.00 20.54 O +ATOM 1897 CB LEU A 236 -15.256 33.078 52.961 1.00 17.83 C +ATOM 1898 CG LEU A 236 -13.916 33.570 52.408 1.00 17.30 C +ATOM 1899 CD1 LEU A 236 -13.814 35.092 52.545 1.00 15.15 C +ATOM 1900 CD2 LEU A 236 -12.786 32.893 53.163 1.00 17.38 C +ATOM 1901 N ARG A 237 -17.765 30.905 52.717 1.00 18.09 N +ATOM 1902 CA ARG A 237 -19.076 30.544 53.214 1.00 21.65 C +ATOM 1903 C ARG A 237 -18.961 29.249 53.970 1.00 20.86 C +ATOM 1904 O ARG A 237 -19.559 29.083 55.023 1.00 25.29 O +ATOM 1905 CB ARG A 237 -20.070 30.382 52.076 1.00 27.98 C +ATOM 1906 CG ARG A 237 -21.505 30.456 52.530 1.00 36.98 C +ATOM 1907 CD ARG A 237 -22.458 30.460 51.348 1.00 49.55 C +ATOM 1908 NE ARG A 237 -22.395 29.204 50.595 1.00 58.87 N +ATOM 1909 CZ ARG A 237 -22.370 29.128 49.265 1.00 62.25 C +ATOM 1910 NH1 ARG A 237 -22.407 30.245 48.541 1.00 63.81 N +ATOM 1911 NH2 ARG A 237 -22.319 27.940 48.657 1.00 63.38 N +ATOM 1912 N LEU A 238 -18.160 28.337 53.445 1.00 18.03 N +ATOM 1913 CA LEU A 238 -17.970 27.029 54.065 1.00 17.04 C +ATOM 1914 C LEU A 238 -16.957 26.985 55.214 1.00 18.78 C +ATOM 1915 O LEU A 238 -17.193 26.435 56.287 1.00 20.65 O +ATOM 1916 CB LEU A 238 -17.512 26.036 52.999 1.00 14.21 C +ATOM 1917 CG LEU A 238 -17.012 24.684 53.508 1.00 15.22 C +ATOM 1918 CD1 LEU A 238 -18.206 23.888 54.014 1.00 17.41 C +ATOM 1919 CD2 LEU A 238 -16.291 23.922 52.403 1.00 12.99 C +ATOM 1920 N VAL A 239 -15.815 27.581 54.960 1.00 18.02 N +ATOM 1921 CA VAL A 239 -14.701 27.577 55.874 1.00 16.63 C +ATOM 1922 C VAL A 239 -14.699 28.718 56.921 1.00 19.93 C +ATOM 1923 O VAL A 239 -13.994 28.643 57.943 1.00 20.60 O +ATOM 1924 CB VAL A 239 -13.429 27.544 54.960 1.00 15.71 C +ATOM 1925 CG1 VAL A 239 -12.376 28.507 55.415 1.00 19.64 C +ATOM 1926 CG2 VAL A 239 -12.932 26.131 54.846 1.00 16.38 C +ATOM 1927 N GLY A 240 -15.512 29.749 56.684 1.00 18.34 N +ATOM 1928 CA GLY A 240 -15.552 30.898 57.579 1.00 16.48 C +ATOM 1929 C GLY A 240 -14.578 31.982 57.107 1.00 20.57 C +ATOM 1930 O GLY A 240 -13.611 31.692 56.389 1.00 18.91 O +ATOM 1931 N THR A 241 -14.829 33.233 57.481 1.00 17.45 N +ATOM 1932 CA THR A 241 -13.944 34.319 57.071 1.00 20.23 C +ATOM 1933 C THR A 241 -12.688 34.348 57.949 1.00 20.20 C +ATOM 1934 O THR A 241 -12.704 33.840 59.054 1.00 20.15 O +ATOM 1935 CB THR A 241 -14.661 35.664 57.172 1.00 19.67 C +ATOM 1936 OG1 THR A 241 -15.340 35.732 58.425 1.00 22.13 O +ATOM 1937 CG2 THR A 241 -15.681 35.819 56.046 1.00 15.22 C +ATOM 1938 N PRO A 242 -11.572 34.926 57.457 1.00 22.99 N +ATOM 1939 CA PRO A 242 -10.360 34.959 58.292 1.00 23.32 C +ATOM 1940 C PRO A 242 -10.549 35.697 59.613 1.00 26.94 C +ATOM 1941 O PRO A 242 -11.431 36.539 59.758 1.00 30.15 O +ATOM 1942 CB PRO A 242 -9.319 35.654 57.411 1.00 20.35 C +ATOM 1943 CG PRO A 242 -9.845 35.551 56.018 1.00 22.03 C +ATOM 1944 CD PRO A 242 -11.345 35.545 56.138 1.00 23.86 C +ATOM 1945 N GLY A 243 -9.714 35.361 60.582 1.00 29.21 N +ATOM 1946 CA GLY A 243 -9.787 36.013 61.866 1.00 28.82 C +ATOM 1947 C GLY A 243 -8.550 36.879 61.967 1.00 30.36 C +ATOM 1948 O GLY A 243 -7.766 36.940 61.025 1.00 29.26 O +ATOM 1949 N ALA A 244 -8.368 37.534 63.107 1.00 31.50 N +ATOM 1950 CA ALA A 244 -7.220 38.403 63.326 1.00 30.66 C +ATOM 1951 C ALA A 244 -5.865 37.723 63.065 1.00 31.80 C +ATOM 1952 O ALA A 244 -4.972 38.312 62.449 1.00 30.55 O +ATOM 1953 CB ALA A 244 -7.267 38.960 64.749 1.00 30.68 C +ATOM 1954 N GLU A 245 -5.718 36.481 63.521 1.00 33.09 N +ATOM 1955 CA GLU A 245 -4.470 35.730 63.347 1.00 34.26 C +ATOM 1956 C GLU A 245 -4.063 35.553 61.881 1.00 34.03 C +ATOM 1957 O GLU A 245 -2.942 35.893 61.491 1.00 34.77 O +ATOM 1958 CB GLU A 245 -4.590 34.351 64.011 1.00 36.66 C +ATOM 1959 CG GLU A 245 -3.270 33.618 64.200 1.00 41.03 C +ATOM 1960 CD GLU A 245 -3.457 32.255 64.850 1.00 46.06 C +ATOM 1961 OE1 GLU A 245 -4.481 32.060 65.547 1.00 45.87 O +ATOM 1962 OE2 GLU A 245 -2.585 31.375 64.667 1.00 47.30 O +ATOM 1963 N LEU A 246 -4.970 35.014 61.075 1.00 31.66 N +ATOM 1964 CA LEU A 246 -4.674 34.802 59.670 1.00 29.34 C +ATOM 1965 C LEU A 246 -4.514 36.133 58.946 1.00 28.29 C +ATOM 1966 O LEU A 246 -3.616 36.282 58.116 1.00 27.78 O +ATOM 1967 CB LEU A 246 -5.784 33.971 59.013 1.00 27.43 C +ATOM 1968 CG LEU A 246 -5.482 33.230 57.696 1.00 28.27 C +ATOM 1969 CD1 LEU A 246 -6.232 33.904 56.569 1.00 29.13 C +ATOM 1970 CD2 LEU A 246 -3.985 33.203 57.394 1.00 26.30 C +ATOM 1971 N LEU A 247 -5.374 37.099 59.264 1.00 27.98 N +ATOM 1972 CA LEU A 247 -5.314 38.414 58.622 1.00 32.07 C +ATOM 1973 C LEU A 247 -3.924 39.013 58.717 1.00 32.69 C +ATOM 1974 O LEU A 247 -3.438 39.615 57.762 1.00 33.25 O +ATOM 1975 CB LEU A 247 -6.325 39.370 59.250 1.00 31.15 C +ATOM 1976 CG LEU A 247 -7.667 39.469 58.518 1.00 34.83 C +ATOM 1977 CD1 LEU A 247 -8.664 40.116 59.438 1.00 36.67 C +ATOM 1978 CD2 LEU A 247 -7.544 40.272 57.220 1.00 36.48 C +ATOM 1979 N LYS A 248 -3.296 38.847 59.879 1.00 37.36 N +ATOM 1980 CA LYS A 248 -1.939 39.334 60.129 1.00 38.56 C +ATOM 1981 C LYS A 248 -0.963 38.799 59.079 1.00 39.54 C +ATOM 1982 O LYS A 248 -0.074 39.524 58.628 1.00 38.89 O +ATOM 1983 CB LYS A 248 -1.455 38.870 61.506 1.00 39.09 C +ATOM 1984 CG LYS A 248 -1.896 39.728 62.662 1.00 41.61 C +ATOM 1985 CD LYS A 248 -1.528 39.069 63.978 1.00 44.22 C +ATOM 1986 CE LYS A 248 -0.166 39.531 64.485 1.00 49.35 C +ATOM 1987 NZ LYS A 248 0.570 40.458 63.561 1.00 49.44 N +ATOM 1988 N LYS A 249 -1.141 37.527 58.704 1.00 39.38 N +ATOM 1989 CA LYS A 249 -0.279 36.844 57.736 1.00 37.33 C +ATOM 1990 C LYS A 249 -0.493 37.185 56.271 1.00 39.08 C +ATOM 1991 O LYS A 249 0.332 36.811 55.433 1.00 38.33 O +ATOM 1992 CB LYS A 249 -0.399 35.331 57.900 1.00 37.15 C +ATOM 1993 CG LYS A 249 -0.230 34.845 59.326 1.00 36.60 C +ATOM 1994 CD LYS A 249 -0.311 33.332 59.410 1.00 33.02 C +ATOM 1995 CE LYS A 249 -0.818 32.910 60.773 1.00 36.36 C +ATOM 1996 NZ LYS A 249 -0.876 31.423 60.940 1.00 37.13 N +ATOM 1997 N ILE A 250 -1.606 37.841 55.947 1.00 40.43 N +ATOM 1998 CA ILE A 250 -1.866 38.242 54.565 1.00 43.44 C +ATOM 1999 C ILE A 250 -1.061 39.524 54.400 1.00 44.96 C +ATOM 2000 O ILE A 250 -1.300 40.506 55.097 1.00 46.80 O +ATOM 2001 CB ILE A 250 -3.367 38.518 54.312 1.00 43.04 C +ATOM 2002 CG1 ILE A 250 -4.165 37.222 54.488 1.00 40.80 C +ATOM 2003 CG2 ILE A 250 -3.570 39.059 52.892 1.00 44.36 C +ATOM 2004 CD1 ILE A 250 -5.637 37.351 54.155 1.00 41.09 C +ATOM 2005 N SER A 251 -0.107 39.511 53.479 1.00 45.94 N +ATOM 2006 CA SER A 251 0.773 40.648 53.292 1.00 46.61 C +ATOM 2007 C SER A 251 0.264 41.874 52.550 1.00 46.99 C +ATOM 2008 O SER A 251 0.568 42.995 52.954 1.00 49.94 O +ATOM 2009 CB SER A 251 2.078 40.165 52.663 1.00 48.27 C +ATOM 2010 OG SER A 251 2.538 41.064 51.676 1.00 52.67 O +ATOM 2011 N SER A 252 -0.501 41.692 51.479 1.00 46.36 N +ATOM 2012 CA SER A 252 -1.003 42.847 50.725 1.00 45.87 C +ATOM 2013 C SER A 252 -2.038 43.636 51.515 1.00 45.06 C +ATOM 2014 O SER A 252 -3.052 43.088 51.921 1.00 48.29 O +ATOM 2015 CB SER A 252 -1.618 42.390 49.401 1.00 45.67 C +ATOM 2016 OG SER A 252 -2.723 43.197 49.044 1.00 45.28 O +ATOM 2017 N GLU A 253 -1.800 44.922 51.729 1.00 45.81 N +ATOM 2018 CA GLU A 253 -2.755 45.717 52.487 1.00 46.53 C +ATOM 2019 C GLU A 253 -4.146 45.842 51.846 1.00 46.90 C +ATOM 2020 O GLU A 253 -5.139 45.972 52.565 1.00 46.30 O +ATOM 2021 CB GLU A 253 -2.194 47.104 52.769 1.00 48.70 C +ATOM 2022 CG GLU A 253 -3.044 47.894 53.751 1.00 54.31 C +ATOM 2023 CD GLU A 253 -2.724 49.378 53.736 1.00 59.50 C +ATOM 2024 OE1 GLU A 253 -1.546 49.726 53.482 1.00 60.96 O +ATOM 2025 OE2 GLU A 253 -3.648 50.193 53.976 1.00 60.94 O +ATOM 2026 N SER A 254 -4.234 45.816 50.513 1.00 46.26 N +ATOM 2027 CA SER A 254 -5.550 45.901 49.853 1.00 47.41 C +ATOM 2028 C SER A 254 -6.262 44.564 50.049 1.00 44.18 C +ATOM 2029 O SER A 254 -7.486 44.519 50.207 1.00 42.73 O +ATOM 2030 CB SER A 254 -5.433 46.193 48.342 1.00 49.67 C +ATOM 2031 OG SER A 254 -4.092 46.140 47.894 1.00 54.96 O +ATOM 2032 N ALA A 255 -5.491 43.477 50.028 1.00 39.90 N +ATOM 2033 CA ALA A 255 -6.056 42.154 50.241 1.00 37.78 C +ATOM 2034 C ALA A 255 -6.619 42.107 51.667 1.00 36.13 C +ATOM 2035 O ALA A 255 -7.737 41.650 51.886 1.00 35.93 O +ATOM 2036 CB ALA A 255 -4.989 41.083 50.049 1.00 35.53 C +ATOM 2037 N ARG A 256 -5.859 42.597 52.639 1.00 33.67 N +ATOM 2038 CA ARG A 256 -6.352 42.587 54.003 1.00 34.68 C +ATOM 2039 C ARG A 256 -7.584 43.486 54.083 1.00 35.73 C +ATOM 2040 O ARG A 256 -8.581 43.123 54.703 1.00 38.23 O +ATOM 2041 CB ARG A 256 -5.269 43.065 54.966 1.00 35.85 C +ATOM 2042 CG ARG A 256 -4.759 41.976 55.891 1.00 38.03 C +ATOM 2043 CD ARG A 256 -3.300 42.177 56.231 1.00 40.97 C +ATOM 2044 NE ARG A 256 -3.001 43.574 56.525 1.00 45.79 N +ATOM 2045 CZ ARG A 256 -1.986 44.247 55.992 1.00 47.24 C +ATOM 2046 NH1 ARG A 256 -1.179 43.651 55.124 1.00 47.68 N +ATOM 2047 NH2 ARG A 256 -1.783 45.519 56.314 1.00 47.17 N +ATOM 2048 N ASN A 257 -7.509 44.654 53.440 1.00 38.16 N +ATOM 2049 CA ASN A 257 -8.613 45.625 53.400 1.00 36.10 C +ATOM 2050 C ASN A 257 -9.853 45.020 52.758 1.00 33.92 C +ATOM 2051 O ASN A 257 -10.966 45.238 53.229 1.00 33.77 O +ATOM 2052 CB ASN A 257 -8.224 46.852 52.580 1.00 40.28 C +ATOM 2053 CG ASN A 257 -7.752 48.002 53.433 1.00 43.48 C +ATOM 2054 OD1 ASN A 257 -6.784 48.685 53.090 1.00 47.74 O +ATOM 2055 ND2 ASN A 257 -8.428 48.229 54.551 1.00 46.19 N +ATOM 2056 N TYR A 258 -9.656 44.283 51.664 1.00 31.02 N +ATOM 2057 CA TYR A 258 -10.766 43.645 50.979 1.00 28.55 C +ATOM 2058 C TYR A 258 -11.423 42.613 51.886 1.00 29.72 C +ATOM 2059 O TYR A 258 -12.639 42.638 52.088 1.00 29.79 O +ATOM 2060 CB TYR A 258 -10.325 42.944 49.697 1.00 24.02 C +ATOM 2061 CG TYR A 258 -11.495 42.240 49.063 1.00 23.65 C +ATOM 2062 CD1 TYR A 258 -12.683 42.931 48.808 1.00 23.79 C +ATOM 2063 CD2 TYR A 258 -11.473 40.869 48.833 1.00 22.31 C +ATOM 2064 CE1 TYR A 258 -13.823 42.273 48.351 1.00 24.42 C +ATOM 2065 CE2 TYR A 258 -12.611 40.196 48.373 1.00 22.51 C +ATOM 2066 CZ TYR A 258 -13.777 40.906 48.144 1.00 24.74 C +ATOM 2067 OH TYR A 258 -14.910 40.247 47.750 1.00 27.18 O +ATOM 2068 N ILE A 259 -10.620 41.700 52.425 1.00 29.49 N +ATOM 2069 CA ILE A 259 -11.137 40.672 53.316 1.00 29.87 C +ATOM 2070 C ILE A 259 -12.076 41.297 54.348 1.00 31.21 C +ATOM 2071 O ILE A 259 -13.189 40.816 54.575 1.00 30.59 O +ATOM 2072 CB ILE A 259 -10.001 39.984 54.099 1.00 30.99 C +ATOM 2073 CG1 ILE A 259 -9.164 39.117 53.160 1.00 29.01 C +ATOM 2074 CG2 ILE A 259 -10.594 39.150 55.249 1.00 29.21 C +ATOM 2075 CD1 ILE A 259 -9.989 38.134 52.377 1.00 34.59 C +ATOM 2076 N GLN A 260 -11.616 42.382 54.962 1.00 31.48 N +ATOM 2077 CA GLN A 260 -12.379 43.055 55.998 1.00 31.78 C +ATOM 2078 C GLN A 260 -13.649 43.741 55.538 1.00 32.79 C +ATOM 2079 O GLN A 260 -14.467 44.148 56.362 1.00 34.33 O +ATOM 2080 CB GLN A 260 -11.490 44.047 56.730 1.00 31.85 C +ATOM 2081 CG GLN A 260 -10.306 43.387 57.371 1.00 36.41 C +ATOM 2082 CD GLN A 260 -9.835 44.119 58.596 1.00 41.44 C +ATOM 2083 OE1 GLN A 260 -8.932 44.950 58.519 1.00 41.89 O +ATOM 2084 NE2 GLN A 260 -10.444 43.819 59.742 1.00 42.33 N +ATOM 2085 N SER A 261 -13.824 43.882 54.234 1.00 31.31 N +ATOM 2086 CA SER A 261 -15.037 44.505 53.741 1.00 31.72 C +ATOM 2087 C SER A 261 -16.125 43.437 53.694 1.00 31.34 C +ATOM 2088 O SER A 261 -17.296 43.737 53.483 1.00 34.07 O +ATOM 2089 CB SER A 261 -14.813 45.097 52.346 1.00 31.59 C +ATOM 2090 OG SER A 261 -14.550 44.084 51.391 1.00 34.65 O +ATOM 2091 N LEU A 262 -15.729 42.188 53.901 1.00 29.30 N +ATOM 2092 CA LEU A 262 -16.663 41.074 53.884 1.00 27.75 C +ATOM 2093 C LEU A 262 -17.350 40.847 55.241 1.00 27.23 C +ATOM 2094 O LEU A 262 -16.709 40.909 56.297 1.00 25.33 O +ATOM 2095 CB LEU A 262 -15.918 39.796 53.493 1.00 27.87 C +ATOM 2096 CG LEU A 262 -15.803 39.408 52.020 1.00 29.77 C +ATOM 2097 CD1 LEU A 262 -15.905 40.624 51.129 1.00 31.55 C +ATOM 2098 CD2 LEU A 262 -14.484 38.703 51.809 1.00 31.01 C +ATOM 2099 N THR A 263 -18.641 40.594 55.194 1.00 22.02 N +ATOM 2100 CA THR A 263 -19.357 40.288 56.447 1.00 22.43 C +ATOM 2101 C THR A 263 -18.770 38.976 56.957 1.00 24.12 C +ATOM 2102 O THR A 263 -18.585 38.023 56.191 1.00 21.90 O +ATOM 2103 CB THR A 263 -20.892 40.238 56.248 1.00 22.10 C +ATOM 2104 OG1 THR A 263 -21.328 41.446 55.613 1.00 20.00 O +ATOM 2105 CG2 THR A 263 -21.595 40.093 57.589 1.00 20.00 C +ATOM 2106 N GLN A 264 -18.440 38.930 58.236 1.00 22.09 N +ATOM 2107 CA GLN A 264 -17.823 37.744 58.792 1.00 25.27 C +ATOM 2108 C GLN A 264 -18.773 36.561 58.829 1.00 26.55 C +ATOM 2109 O GLN A 264 -19.977 36.735 58.941 1.00 28.60 O +ATOM 2110 CB GLN A 264 -17.271 38.068 60.174 1.00 25.69 C +ATOM 2111 CG GLN A 264 -16.307 39.236 60.106 1.00 28.52 C +ATOM 2112 CD GLN A 264 -15.606 39.512 61.409 1.00 34.33 C +ATOM 2113 OE1 GLN A 264 -14.936 38.640 61.978 1.00 38.64 O +ATOM 2114 NE2 GLN A 264 -15.746 40.741 61.894 1.00 37.77 N +ATOM 2115 N MET A 265 -18.224 35.355 58.701 1.00 27.13 N +ATOM 2116 CA MET A 265 -19.022 34.133 58.704 1.00 26.00 C +ATOM 2117 C MET A 265 -18.298 33.025 59.450 1.00 25.70 C +ATOM 2118 O MET A 265 -17.078 32.894 59.350 1.00 23.39 O +ATOM 2119 CB MET A 265 -19.293 33.659 57.276 1.00 26.81 C +ATOM 2120 CG MET A 265 -19.871 34.702 56.383 1.00 26.32 C +ATOM 2121 SD MET A 265 -20.073 34.053 54.734 1.00 30.88 S +ATOM 2122 CE MET A 265 -18.484 34.405 54.059 1.00 25.82 C +ATOM 2123 N PRO A 266 -19.053 32.192 60.186 1.00 26.56 N +ATOM 2124 CA PRO A 266 -18.416 31.104 60.927 1.00 24.28 C +ATOM 2125 C PRO A 266 -18.221 29.899 60.010 1.00 24.96 C +ATOM 2126 O PRO A 266 -18.809 29.812 58.923 1.00 24.40 O +ATOM 2127 CB PRO A 266 -19.399 30.818 62.054 1.00 23.85 C +ATOM 2128 CG PRO A 266 -20.752 31.194 61.471 1.00 23.59 C +ATOM 2129 CD PRO A 266 -20.523 32.185 60.347 1.00 23.41 C +ATOM 2130 N LYS A 267 -17.373 28.979 60.433 1.00 25.85 N +ATOM 2131 CA LYS A 267 -17.154 27.790 59.640 1.00 27.02 C +ATOM 2132 C LYS A 267 -18.499 27.065 59.653 1.00 24.37 C +ATOM 2133 O LYS A 267 -19.219 27.143 60.645 1.00 22.50 O +ATOM 2134 CB LYS A 267 -16.068 26.940 60.305 1.00 30.03 C +ATOM 2135 CG LYS A 267 -15.684 25.689 59.541 1.00 35.64 C +ATOM 2136 CD LYS A 267 -14.937 24.744 60.449 1.00 39.10 C +ATOM 2137 CE LYS A 267 -15.625 23.382 60.571 1.00 44.33 C +ATOM 2138 NZ LYS A 267 -14.815 22.539 61.507 1.00 49.36 N +ATOM 2139 N MET A 268 -18.852 26.395 58.560 1.00 21.26 N +ATOM 2140 CA MET A 268 -20.105 25.654 58.497 1.00 20.22 C +ATOM 2141 C MET A 268 -19.892 24.269 59.108 1.00 21.86 C +ATOM 2142 O MET A 268 -18.747 23.848 59.356 1.00 20.50 O +ATOM 2143 CB MET A 268 -20.552 25.484 57.048 1.00 20.02 C +ATOM 2144 CG MET A 268 -21.039 26.756 56.406 1.00 27.13 C +ATOM 2145 SD MET A 268 -22.023 26.469 54.924 1.00 32.83 S +ATOM 2146 CE MET A 268 -22.970 24.976 55.444 1.00 35.85 C +ATOM 2147 N ASN A 269 -20.991 23.557 59.346 1.00 23.09 N +ATOM 2148 CA ASN A 269 -20.917 22.202 59.894 1.00 22.38 C +ATOM 2149 C ASN A 269 -20.709 21.302 58.678 1.00 20.90 C +ATOM 2150 O ASN A 269 -21.578 21.243 57.812 1.00 25.61 O +ATOM 2151 CB ASN A 269 -22.230 21.837 60.588 1.00 25.51 C +ATOM 2152 CG ASN A 269 -22.143 20.523 61.346 1.00 26.10 C +ATOM 2153 OD1 ASN A 269 -21.492 19.581 60.892 1.00 30.16 O +ATOM 2154 ND2 ASN A 269 -22.798 20.454 62.504 1.00 19.34 N +ATOM 2155 N PHE A 270 -19.570 20.619 58.599 1.00 19.06 N +ATOM 2156 CA PHE A 270 -19.287 19.780 57.439 1.00 21.39 C +ATOM 2157 C PHE A 270 -20.196 18.557 57.297 1.00 23.77 C +ATOM 2158 O PHE A 270 -20.474 18.104 56.180 1.00 23.98 O +ATOM 2159 CB PHE A 270 -17.818 19.358 57.434 1.00 19.53 C +ATOM 2160 CG PHE A 270 -16.885 20.410 56.881 1.00 22.53 C +ATOM 2161 CD1 PHE A 270 -17.048 21.750 57.215 1.00 23.10 C +ATOM 2162 CD2 PHE A 270 -15.810 20.054 56.070 1.00 22.82 C +ATOM 2163 CE1 PHE A 270 -16.148 22.713 56.763 1.00 23.79 C +ATOM 2164 CE2 PHE A 270 -14.899 21.011 55.610 1.00 20.74 C +ATOM 2165 CZ PHE A 270 -15.068 22.342 55.957 1.00 22.11 C +ATOM 2166 N ALA A 271 -20.675 18.033 58.417 1.00 22.48 N +ATOM 2167 CA ALA A 271 -21.556 16.882 58.366 1.00 21.26 C +ATOM 2168 C ALA A 271 -22.878 17.293 57.734 1.00 21.46 C +ATOM 2169 O ALA A 271 -23.650 16.448 57.307 1.00 25.68 O +ATOM 2170 CB ALA A 271 -21.782 16.340 59.767 1.00 19.32 C +ATOM 2171 N ASN A 272 -23.142 18.594 57.683 1.00 21.47 N +ATOM 2172 CA ASN A 272 -24.378 19.088 57.076 1.00 22.15 C +ATOM 2173 C ASN A 272 -24.161 19.523 55.638 1.00 23.62 C +ATOM 2174 O ASN A 272 -25.062 20.047 54.990 1.00 22.61 O +ATOM 2175 CB ASN A 272 -24.930 20.260 57.862 1.00 19.69 C +ATOM 2176 CG ASN A 272 -25.610 19.829 59.119 1.00 21.12 C +ATOM 2177 OD1 ASN A 272 -25.848 20.636 59.998 1.00 25.67 O +ATOM 2178 ND2 ASN A 272 -25.927 18.549 59.222 1.00 24.64 N +ATOM 2179 N VAL A 273 -22.943 19.310 55.161 1.00 24.60 N +ATOM 2180 CA VAL A 273 -22.558 19.636 53.795 1.00 23.23 C +ATOM 2181 C VAL A 273 -22.379 18.283 53.111 1.00 23.54 C +ATOM 2182 O VAL A 273 -23.028 17.968 52.106 1.00 24.77 O +ATOM 2183 CB VAL A 273 -21.210 20.412 53.766 1.00 22.88 C +ATOM 2184 CG1 VAL A 273 -20.817 20.718 52.334 1.00 18.80 C +ATOM 2185 CG2 VAL A 273 -21.314 21.689 54.593 1.00 18.82 C +ATOM 2186 N PHE A 274 -21.501 17.474 53.688 1.00 20.39 N +ATOM 2187 CA PHE A 274 -21.226 16.157 53.159 1.00 23.81 C +ATOM 2188 C PHE A 274 -22.185 15.138 53.785 1.00 26.70 C +ATOM 2189 O PHE A 274 -21.779 14.248 54.551 1.00 28.89 O +ATOM 2190 CB PHE A 274 -19.758 15.834 53.431 1.00 20.91 C +ATOM 2191 CG PHE A 274 -18.819 16.847 52.847 1.00 21.09 C +ATOM 2192 CD1 PHE A 274 -18.735 17.002 51.455 1.00 19.80 C +ATOM 2193 CD2 PHE A 274 -18.083 17.710 53.675 1.00 18.69 C +ATOM 2194 CE1 PHE A 274 -17.943 18.003 50.889 1.00 17.92 C +ATOM 2195 CE2 PHE A 274 -17.280 18.725 53.121 1.00 17.27 C +ATOM 2196 CZ PHE A 274 -17.217 18.869 51.715 1.00 19.21 C +ATOM 2197 N ILE A 275 -23.464 15.295 53.436 1.00 29.00 N +ATOM 2198 CA ILE A 275 -24.558 14.462 53.941 1.00 30.77 C +ATOM 2199 C ILE A 275 -24.432 12.951 53.716 1.00 31.86 C +ATOM 2200 O ILE A 275 -24.408 12.467 52.566 1.00 32.07 O +ATOM 2201 CB ILE A 275 -25.930 14.912 53.348 1.00 32.97 C +ATOM 2202 CG1 ILE A 275 -26.260 16.348 53.774 1.00 36.90 C +ATOM 2203 CG2 ILE A 275 -27.038 13.996 53.855 1.00 33.01 C +ATOM 2204 CD1 ILE A 275 -26.355 16.531 55.294 1.00 42.97 C +ATOM 2205 N GLY A 276 -24.378 12.215 54.828 1.00 28.16 N +ATOM 2206 CA GLY A 276 -24.282 10.777 54.760 1.00 26.30 C +ATOM 2207 C GLY A 276 -22.884 10.245 54.504 1.00 29.28 C +ATOM 2208 O GLY A 276 -22.718 9.055 54.243 1.00 35.28 O +ATOM 2209 N ALA A 277 -21.866 11.095 54.581 1.00 27.18 N +ATOM 2210 CA ALA A 277 -20.511 10.628 54.342 1.00 22.50 C +ATOM 2211 C ALA A 277 -19.978 10.016 55.624 1.00 23.44 C +ATOM 2212 O ALA A 277 -20.433 10.345 56.727 1.00 25.91 O +ATOM 2213 CB ALA A 277 -19.616 11.789 53.888 1.00 18.40 C +ATOM 2214 N ASN A 278 -19.033 9.101 55.462 1.00 22.91 N +ATOM 2215 CA ASN A 278 -18.377 8.438 56.570 1.00 23.26 C +ATOM 2216 C ASN A 278 -17.882 9.570 57.474 1.00 25.47 C +ATOM 2217 O ASN A 278 -17.181 10.476 57.032 1.00 26.52 O +ATOM 2218 CB ASN A 278 -17.210 7.607 55.997 1.00 26.45 C +ATOM 2219 CG ASN A 278 -16.316 6.985 57.063 1.00 25.51 C +ATOM 2220 OD1 ASN A 278 -16.237 7.460 58.196 1.00 28.87 O +ATOM 2221 ND2 ASN A 278 -15.625 5.919 56.689 1.00 19.55 N +ATOM 2222 N PRO A 279 -18.302 9.569 58.740 1.00 26.58 N +ATOM 2223 CA PRO A 279 -17.864 10.617 59.661 1.00 25.41 C +ATOM 2224 C PRO A 279 -16.359 10.827 59.596 1.00 25.95 C +ATOM 2225 O PRO A 279 -15.876 11.948 59.760 1.00 28.70 O +ATOM 2226 CB PRO A 279 -18.306 10.098 61.026 1.00 25.21 C +ATOM 2227 CG PRO A 279 -19.502 9.266 60.730 1.00 26.14 C +ATOM 2228 CD PRO A 279 -19.239 8.633 59.377 1.00 28.28 C +ATOM 2229 N LEU A 280 -15.626 9.744 59.354 1.00 23.76 N +ATOM 2230 CA LEU A 280 -14.171 9.801 59.267 1.00 22.84 C +ATOM 2231 C LEU A 280 -13.735 10.649 58.062 1.00 21.58 C +ATOM 2232 O LEU A 280 -12.740 11.389 58.124 1.00 19.31 O +ATOM 2233 CB LEU A 280 -13.601 8.376 59.176 1.00 22.39 C +ATOM 2234 CG LEU A 280 -12.722 7.825 60.317 1.00 24.78 C +ATOM 2235 CD1 LEU A 280 -12.792 8.693 61.551 1.00 20.45 C +ATOM 2236 CD2 LEU A 280 -13.170 6.432 60.653 1.00 21.33 C +ATOM 2237 N ALA A 281 -14.486 10.530 56.971 1.00 18.26 N +ATOM 2238 CA ALA A 281 -14.211 11.293 55.758 1.00 20.52 C +ATOM 2239 C ALA A 281 -14.466 12.767 56.059 1.00 21.65 C +ATOM 2240 O ALA A 281 -13.684 13.644 55.678 1.00 22.39 O +ATOM 2241 CB ALA A 281 -15.117 10.825 54.621 1.00 15.24 C +ATOM 2242 N VAL A 282 -15.565 13.030 56.757 1.00 21.32 N +ATOM 2243 CA VAL A 282 -15.918 14.389 57.124 1.00 22.38 C +ATOM 2244 C VAL A 282 -14.806 15.000 57.990 1.00 23.62 C +ATOM 2245 O VAL A 282 -14.352 16.116 57.742 1.00 25.47 O +ATOM 2246 CB VAL A 282 -17.265 14.421 57.903 1.00 22.11 C +ATOM 2247 CG1 VAL A 282 -17.574 15.835 58.335 1.00 18.85 C +ATOM 2248 CG2 VAL A 282 -18.396 13.876 57.033 1.00 20.07 C +ATOM 2249 N ASP A 283 -14.354 14.267 58.999 1.00 22.21 N +ATOM 2250 CA ASP A 283 -13.309 14.783 59.868 1.00 18.94 C +ATOM 2251 C ASP A 283 -12.029 15.118 59.101 1.00 18.49 C +ATOM 2252 O ASP A 283 -11.450 16.169 59.309 1.00 18.71 O +ATOM 2253 CB ASP A 283 -13.014 13.779 60.986 1.00 17.53 C +ATOM 2254 CG ASP A 283 -12.027 14.311 62.010 1.00 22.01 C +ATOM 2255 OD1 ASP A 283 -12.464 15.029 62.931 1.00 25.01 O +ATOM 2256 OD2 ASP A 283 -10.814 14.015 61.902 1.00 20.95 O +ATOM 2257 N LEU A 284 -11.589 14.237 58.208 1.00 21.21 N +ATOM 2258 CA LEU A 284 -10.370 14.504 57.451 1.00 21.14 C +ATOM 2259 C LEU A 284 -10.542 15.763 56.619 1.00 22.43 C +ATOM 2260 O LEU A 284 -9.651 16.607 56.579 1.00 28.65 O +ATOM 2261 CB LEU A 284 -10.007 13.332 56.527 1.00 19.87 C +ATOM 2262 CG LEU A 284 -8.734 13.569 55.699 1.00 20.81 C +ATOM 2263 CD1 LEU A 284 -7.583 13.925 56.631 1.00 19.43 C +ATOM 2264 CD2 LEU A 284 -8.388 12.336 54.890 1.00 20.48 C +ATOM 2265 N LEU A 285 -11.686 15.893 55.954 1.00 22.60 N +ATOM 2266 CA LEU A 285 -11.950 17.070 55.127 1.00 20.25 C +ATOM 2267 C LEU A 285 -11.826 18.354 55.944 1.00 19.24 C +ATOM 2268 O LEU A 285 -11.313 19.356 55.454 1.00 19.12 O +ATOM 2269 CB LEU A 285 -13.351 16.996 54.508 1.00 18.64 C +ATOM 2270 CG LEU A 285 -13.477 16.167 53.228 1.00 21.87 C +ATOM 2271 CD1 LEU A 285 -14.887 16.266 52.702 1.00 21.22 C +ATOM 2272 CD2 LEU A 285 -12.489 16.646 52.188 1.00 19.45 C +ATOM 2273 N GLU A 286 -12.289 18.328 57.191 1.00 17.94 N +ATOM 2274 CA GLU A 286 -12.206 19.523 58.015 1.00 20.22 C +ATOM 2275 C GLU A 286 -10.774 19.850 58.373 1.00 21.02 C +ATOM 2276 O GLU A 286 -10.447 21.001 58.624 1.00 22.50 O +ATOM 2277 CB GLU A 286 -13.005 19.361 59.293 1.00 23.68 C +ATOM 2278 CG GLU A 286 -14.392 18.823 59.078 1.00 33.87 C +ATOM 2279 CD GLU A 286 -15.197 18.813 60.358 1.00 36.90 C +ATOM 2280 OE1 GLU A 286 -15.758 19.878 60.691 1.00 42.49 O +ATOM 2281 OE2 GLU A 286 -15.263 17.755 61.029 1.00 35.35 O +ATOM 2282 N LYS A 287 -9.915 18.842 58.405 1.00 21.50 N +ATOM 2283 CA LYS A 287 -8.522 19.067 58.739 1.00 22.45 C +ATOM 2284 C LYS A 287 -7.722 19.469 57.508 1.00 23.34 C +ATOM 2285 O LYS A 287 -6.628 20.014 57.629 1.00 24.99 O +ATOM 2286 CB LYS A 287 -7.939 17.815 59.392 1.00 23.69 C +ATOM 2287 CG LYS A 287 -8.760 17.358 60.592 1.00 30.87 C +ATOM 2288 CD LYS A 287 -8.060 16.298 61.426 1.00 34.99 C +ATOM 2289 CE LYS A 287 -8.361 16.511 62.910 1.00 39.21 C +ATOM 2290 NZ LYS A 287 -9.054 15.357 63.547 1.00 42.68 N +ATOM 2291 N MET A 288 -8.276 19.201 56.326 1.00 24.35 N +ATOM 2292 CA MET A 288 -7.636 19.558 55.056 1.00 23.92 C +ATOM 2293 C MET A 288 -8.072 20.965 54.597 1.00 22.82 C +ATOM 2294 O MET A 288 -7.245 21.780 54.219 1.00 24.60 O +ATOM 2295 CB MET A 288 -7.984 18.518 53.974 1.00 21.71 C +ATOM 2296 CG MET A 288 -6.924 17.442 53.797 1.00 22.87 C +ATOM 2297 SD MET A 288 -7.418 15.933 52.922 1.00 26.86 S +ATOM 2298 CE MET A 288 -9.217 16.007 53.036 1.00 28.08 C +ATOM 2299 N LEU A 289 -9.370 21.253 54.658 1.00 23.06 N +ATOM 2300 CA LEU A 289 -9.898 22.557 54.238 1.00 24.00 C +ATOM 2301 C LEU A 289 -9.908 23.601 55.363 1.00 22.37 C +ATOM 2302 O LEU A 289 -10.961 24.087 55.763 1.00 22.88 O +ATOM 2303 CB LEU A 289 -11.330 22.396 53.691 1.00 24.62 C +ATOM 2304 CG LEU A 289 -11.637 21.884 52.272 1.00 24.67 C +ATOM 2305 CD1 LEU A 289 -10.374 21.553 51.518 1.00 22.55 C +ATOM 2306 CD2 LEU A 289 -12.549 20.672 52.379 1.00 18.94 C +ATOM 2307 N VAL A 290 -8.731 23.937 55.871 1.00 22.65 N +ATOM 2308 CA VAL A 290 -8.601 24.927 56.934 1.00 21.46 C +ATOM 2309 C VAL A 290 -8.108 26.203 56.240 1.00 24.33 C +ATOM 2310 O VAL A 290 -7.132 26.156 55.488 1.00 23.77 O +ATOM 2311 CB VAL A 290 -7.561 24.473 57.976 1.00 18.20 C +ATOM 2312 CG1 VAL A 290 -7.257 25.597 58.932 1.00 11.22 C +ATOM 2313 CG2 VAL A 290 -8.066 23.250 58.712 1.00 16.37 C +ATOM 2314 N LEU A 291 -8.769 27.337 56.479 1.00 24.65 N +ATOM 2315 CA LEU A 291 -8.364 28.576 55.814 1.00 24.18 C +ATOM 2316 C LEU A 291 -6.880 28.919 56.000 1.00 25.62 C +ATOM 2317 O LEU A 291 -6.166 29.122 55.009 1.00 25.94 O +ATOM 2318 CB LEU A 291 -9.259 29.740 56.255 1.00 22.52 C +ATOM 2319 CG LEU A 291 -9.227 30.975 55.345 1.00 22.40 C +ATOM 2320 CD1 LEU A 291 -9.402 30.583 53.877 1.00 18.41 C +ATOM 2321 CD2 LEU A 291 -10.315 31.939 55.785 1.00 22.11 C +ATOM 2322 N ASP A 292 -6.417 28.966 57.254 1.00 25.32 N +ATOM 2323 CA ASP A 292 -5.019 29.261 57.564 1.00 22.91 C +ATOM 2324 C ASP A 292 -4.146 28.061 57.152 1.00 24.06 C +ATOM 2325 O ASP A 292 -4.225 26.987 57.752 1.00 23.84 O +ATOM 2326 CB ASP A 292 -4.876 29.530 59.063 1.00 21.83 C +ATOM 2327 CG ASP A 292 -3.489 30.049 59.447 1.00 25.43 C +ATOM 2328 OD1 ASP A 292 -2.560 29.963 58.606 1.00 23.29 O +ATOM 2329 OD2 ASP A 292 -3.337 30.542 60.597 1.00 22.79 O +ATOM 2330 N SER A 293 -3.294 28.257 56.147 1.00 24.84 N +ATOM 2331 CA SER A 293 -2.449 27.178 55.645 1.00 25.85 C +ATOM 2332 C SER A 293 -1.543 26.615 56.703 1.00 29.05 C +ATOM 2333 O SER A 293 -1.151 25.453 56.641 1.00 31.87 O +ATOM 2334 CB SER A 293 -1.610 27.646 54.455 1.00 26.45 C +ATOM 2335 OG SER A 293 -0.673 28.634 54.838 1.00 28.20 O +ATOM 2336 N ASP A 294 -1.213 27.434 57.688 1.00 31.58 N +ATOM 2337 CA ASP A 294 -0.330 26.993 58.759 1.00 30.27 C +ATOM 2338 C ASP A 294 -0.954 25.911 59.616 1.00 28.81 C +ATOM 2339 O ASP A 294 -0.234 25.113 60.209 1.00 32.71 O +ATOM 2340 CB ASP A 294 0.054 28.173 59.657 1.00 33.04 C +ATOM 2341 CG ASP A 294 1.128 29.056 59.041 1.00 32.82 C +ATOM 2342 OD1 ASP A 294 1.931 28.558 58.225 1.00 32.79 O +ATOM 2343 OD2 ASP A 294 1.165 30.258 59.377 1.00 39.29 O +ATOM 2344 N LYS A 295 -2.282 25.869 59.676 1.00 26.20 N +ATOM 2345 CA LYS A 295 -2.963 24.886 60.508 1.00 25.15 C +ATOM 2346 C LYS A 295 -3.534 23.704 59.743 1.00 23.25 C +ATOM 2347 O LYS A 295 -4.218 22.855 60.312 1.00 20.76 O +ATOM 2348 CB LYS A 295 -4.057 25.583 61.322 1.00 26.37 C +ATOM 2349 CG LYS A 295 -3.487 26.480 62.407 1.00 27.96 C +ATOM 2350 CD LYS A 295 -4.441 27.583 62.797 1.00 33.62 C +ATOM 2351 CE LYS A 295 -3.761 28.611 63.694 1.00 38.75 C +ATOM 2352 NZ LYS A 295 -4.301 28.587 65.095 1.00 42.55 N +ATOM 2353 N ARG A 296 -3.247 23.651 58.450 1.00 23.22 N +ATOM 2354 CA ARG A 296 -3.711 22.540 57.631 1.00 22.11 C +ATOM 2355 C ARG A 296 -2.938 21.267 58.017 1.00 24.66 C +ATOM 2356 O ARG A 296 -1.848 21.320 58.600 1.00 24.17 O +ATOM 2357 CB ARG A 296 -3.498 22.848 56.143 1.00 20.71 C +ATOM 2358 CG ARG A 296 -4.739 23.358 55.435 1.00 23.93 C +ATOM 2359 CD ARG A 296 -4.424 23.902 54.049 1.00 20.78 C +ATOM 2360 NE ARG A 296 -5.091 25.177 53.787 1.00 20.37 N +ATOM 2361 CZ ARG A 296 -4.680 26.069 52.893 1.00 17.14 C +ATOM 2362 NH1 ARG A 296 -3.608 25.827 52.161 1.00 17.31 N +ATOM 2363 NH2 ARG A 296 -5.343 27.200 52.722 1.00 20.75 N +ATOM 2364 N ILE A 297 -3.516 20.117 57.699 1.00 24.89 N +ATOM 2365 CA ILE A 297 -2.886 18.842 57.996 1.00 22.78 C +ATOM 2366 C ILE A 297 -1.787 18.554 56.932 1.00 22.74 C +ATOM 2367 O ILE A 297 -1.877 19.008 55.791 1.00 24.48 O +ATOM 2368 CB ILE A 297 -3.986 17.732 58.028 1.00 19.13 C +ATOM 2369 CG1 ILE A 297 -3.464 16.485 58.735 1.00 20.82 C +ATOM 2370 CG2 ILE A 297 -4.461 17.423 56.633 1.00 21.33 C +ATOM 2371 CD1 ILE A 297 -4.543 15.504 59.131 1.00 17.53 C +ATOM 2372 N THR A 298 -0.725 17.847 57.306 1.00 24.42 N +ATOM 2373 CA THR A 298 0.323 17.521 56.331 1.00 25.36 C +ATOM 2374 C THR A 298 0.008 16.161 55.737 1.00 24.93 C +ATOM 2375 O THR A 298 -0.691 15.346 56.357 1.00 26.34 O +ATOM 2376 CB THR A 298 1.726 17.407 56.969 1.00 26.16 C +ATOM 2377 OG1 THR A 298 1.749 16.293 57.875 1.00 24.11 O +ATOM 2378 CG2 THR A 298 2.094 18.695 57.706 1.00 27.21 C +ATOM 2379 N ALA A 299 0.532 15.905 54.545 1.00 23.05 N +ATOM 2380 CA ALA A 299 0.289 14.623 53.897 1.00 21.22 C +ATOM 2381 C ALA A 299 0.639 13.458 54.831 1.00 19.47 C +ATOM 2382 O ALA A 299 -0.145 12.521 54.987 1.00 19.56 O +ATOM 2383 CB ALA A 299 1.091 14.527 52.595 1.00 17.62 C +ATOM 2384 N ALA A 300 1.809 13.525 55.461 1.00 19.69 N +ATOM 2385 CA ALA A 300 2.247 12.459 56.356 1.00 21.31 C +ATOM 2386 C ALA A 300 1.280 12.289 57.528 1.00 22.07 C +ATOM 2387 O ALA A 300 1.041 11.178 57.989 1.00 25.98 O +ATOM 2388 CB ALA A 300 3.646 12.748 56.845 1.00 19.73 C +ATOM 2389 N GLN A 301 0.721 13.392 58.004 1.00 24.65 N +ATOM 2390 CA GLN A 301 -0.244 13.351 59.097 1.00 26.70 C +ATOM 2391 C GLN A 301 -1.548 12.715 58.605 1.00 27.04 C +ATOM 2392 O GLN A 301 -2.128 11.858 59.283 1.00 26.23 O +ATOM 2393 CB GLN A 301 -0.563 14.759 59.563 1.00 32.00 C +ATOM 2394 CG GLN A 301 0.387 15.319 60.583 1.00 36.43 C +ATOM 2395 CD GLN A 301 -0.075 16.672 61.093 1.00 40.55 C +ATOM 2396 OE1 GLN A 301 -0.056 17.672 60.353 1.00 36.85 O +ATOM 2397 NE2 GLN A 301 -0.500 16.712 62.368 1.00 43.20 N +ATOM 2398 N ALA A 302 -2.004 13.148 57.425 1.00 23.98 N +ATOM 2399 CA ALA A 302 -3.242 12.648 56.829 1.00 21.59 C +ATOM 2400 C ALA A 302 -3.232 11.132 56.629 1.00 19.96 C +ATOM 2401 O ALA A 302 -4.244 10.462 56.833 1.00 19.48 O +ATOM 2402 CB ALA A 302 -3.500 13.362 55.499 1.00 17.19 C +ATOM 2403 N LEU A 303 -2.079 10.602 56.239 1.00 19.72 N +ATOM 2404 CA LEU A 303 -1.916 9.171 56.009 1.00 21.13 C +ATOM 2405 C LEU A 303 -2.146 8.353 57.278 1.00 22.56 C +ATOM 2406 O LEU A 303 -2.526 7.177 57.201 1.00 19.38 O +ATOM 2407 CB LEU A 303 -0.516 8.883 55.461 1.00 19.82 C +ATOM 2408 CG LEU A 303 -0.354 9.206 53.981 1.00 20.46 C +ATOM 2409 CD1 LEU A 303 1.115 9.207 53.616 1.00 20.89 C +ATOM 2410 CD2 LEU A 303 -1.116 8.182 53.155 1.00 16.94 C +ATOM 2411 N ALA A 304 -1.904 8.972 58.436 1.00 23.04 N +ATOM 2412 CA ALA A 304 -2.095 8.309 59.727 1.00 24.04 C +ATOM 2413 C ALA A 304 -3.531 8.445 60.210 1.00 25.50 C +ATOM 2414 O ALA A 304 -3.895 7.859 61.224 1.00 26.95 O +ATOM 2415 CB ALA A 304 -1.141 8.882 60.772 1.00 18.27 C +ATOM 2416 N HIS A 305 -4.341 9.211 59.475 1.00 24.81 N +ATOM 2417 CA HIS A 305 -5.738 9.423 59.836 1.00 22.38 C +ATOM 2418 C HIS A 305 -6.524 8.121 59.845 1.00 23.73 C +ATOM 2419 O HIS A 305 -6.319 7.270 58.991 1.00 24.08 O +ATOM 2420 CB HIS A 305 -6.397 10.415 58.871 1.00 21.32 C +ATOM 2421 CG HIS A 305 -7.658 11.022 59.409 1.00 19.79 C +ATOM 2422 ND1 HIS A 305 -8.894 10.430 59.255 1.00 16.11 N +ATOM 2423 CD2 HIS A 305 -7.869 12.147 60.139 1.00 18.93 C +ATOM 2424 CE1 HIS A 305 -9.810 11.157 59.871 1.00 18.75 C +ATOM 2425 NE2 HIS A 305 -9.214 12.206 60.416 1.00 14.82 N +ATOM 2426 N ALA A 306 -7.433 7.982 60.806 1.00 22.66 N +ATOM 2427 CA ALA A 306 -8.248 6.777 60.932 1.00 22.15 C +ATOM 2428 C ALA A 306 -9.003 6.414 59.663 1.00 24.28 C +ATOM 2429 O ALA A 306 -9.438 5.269 59.483 1.00 25.86 O +ATOM 2430 CB ALA A 306 -9.225 6.945 62.055 1.00 19.82 C +ATOM 2431 N TYR A 307 -9.165 7.394 58.783 1.00 26.03 N +ATOM 2432 CA TYR A 307 -9.896 7.191 57.542 1.00 24.53 C +ATOM 2433 C TYR A 307 -9.215 6.206 56.572 1.00 25.84 C +ATOM 2434 O TYR A 307 -9.892 5.518 55.789 1.00 25.79 O +ATOM 2435 CB TYR A 307 -10.119 8.542 56.866 1.00 20.54 C +ATOM 2436 CG TYR A 307 -11.015 8.456 55.655 1.00 21.88 C +ATOM 2437 CD1 TYR A 307 -12.228 7.771 55.702 1.00 20.21 C +ATOM 2438 CD2 TYR A 307 -10.637 9.029 54.452 1.00 22.07 C +ATOM 2439 CE1 TYR A 307 -13.034 7.659 54.576 1.00 19.89 C +ATOM 2440 CE2 TYR A 307 -11.438 8.922 53.323 1.00 23.51 C +ATOM 2441 CZ TYR A 307 -12.630 8.237 53.389 1.00 21.50 C +ATOM 2442 OH TYR A 307 -13.408 8.134 52.254 1.00 21.67 O +ATOM 2443 N PHE A 308 -7.883 6.147 56.625 1.00 26.20 N +ATOM 2444 CA PHE A 308 -7.103 5.245 55.780 1.00 28.14 C +ATOM 2445 C PHE A 308 -6.583 4.047 56.573 1.00 29.52 C +ATOM 2446 O PHE A 308 -5.611 3.418 56.170 1.00 29.50 O +ATOM 2447 CB PHE A 308 -5.911 5.991 55.178 1.00 29.00 C +ATOM 2448 CG PHE A 308 -6.296 7.214 54.419 1.00 26.58 C +ATOM 2449 CD1 PHE A 308 -7.046 7.107 53.247 1.00 27.53 C +ATOM 2450 CD2 PHE A 308 -5.951 8.470 54.886 1.00 21.74 C +ATOM 2451 CE1 PHE A 308 -7.456 8.240 52.541 1.00 27.16 C +ATOM 2452 CE2 PHE A 308 -6.351 9.613 54.195 1.00 29.24 C +ATOM 2453 CZ PHE A 308 -7.112 9.498 53.013 1.00 29.25 C +ATOM 2454 N ALA A 309 -7.234 3.736 57.691 1.00 30.36 N +ATOM 2455 CA ALA A 309 -6.828 2.626 58.548 1.00 30.61 C +ATOM 2456 C ALA A 309 -6.659 1.333 57.753 1.00 33.34 C +ATOM 2457 O ALA A 309 -5.797 0.505 58.058 1.00 31.58 O +ATOM 2458 CB ALA A 309 -7.855 2.430 59.650 1.00 27.24 C +ATOM 2459 N GLN A 310 -7.474 1.177 56.718 1.00 35.58 N +ATOM 2460 CA GLN A 310 -7.431 -0.011 55.877 1.00 38.91 C +ATOM 2461 C GLN A 310 -6.264 -0.108 54.884 1.00 38.34 C +ATOM 2462 O GLN A 310 -6.020 -1.185 54.347 1.00 37.43 O +ATOM 2463 CB GLN A 310 -8.746 -0.137 55.117 1.00 45.30 C +ATOM 2464 CG GLN A 310 -9.016 -1.528 54.587 1.00 56.17 C +ATOM 2465 CD GLN A 310 -10.022 -1.527 53.448 1.00 64.40 C +ATOM 2466 OE1 GLN A 310 -10.646 -0.493 53.143 1.00 68.13 O +ATOM 2467 NE2 GLN A 310 -10.190 -2.687 52.807 1.00 66.87 N +ATOM 2468 N TYR A 311 -5.550 0.996 54.637 1.00 37.76 N +ATOM 2469 CA TYR A 311 -4.416 0.996 53.696 1.00 33.91 C +ATOM 2470 C TYR A 311 -3.086 1.503 54.277 1.00 32.51 C +ATOM 2471 O TYR A 311 -2.013 1.162 53.781 1.00 33.38 O +ATOM 2472 CB TYR A 311 -4.751 1.819 52.447 1.00 32.18 C +ATOM 2473 CG TYR A 311 -6.032 1.419 51.767 1.00 30.96 C +ATOM 2474 CD1 TYR A 311 -7.243 1.985 52.146 1.00 34.23 C +ATOM 2475 CD2 TYR A 311 -6.038 0.485 50.739 1.00 30.83 C +ATOM 2476 CE1 TYR A 311 -8.442 1.635 51.513 1.00 35.41 C +ATOM 2477 CE2 TYR A 311 -7.230 0.126 50.098 1.00 33.39 C +ATOM 2478 CZ TYR A 311 -8.429 0.707 50.492 1.00 34.31 C +ATOM 2479 OH TYR A 311 -9.612 0.367 49.873 1.00 35.44 O +ATOM 2480 N HIS A 312 -3.155 2.307 55.329 1.00 31.15 N +ATOM 2481 CA HIS A 312 -1.946 2.850 55.935 1.00 30.99 C +ATOM 2482 C HIS A 312 -0.983 1.795 56.480 1.00 32.07 C +ATOM 2483 O HIS A 312 -1.386 0.861 57.159 1.00 33.13 O +ATOM 2484 CB HIS A 312 -2.312 3.828 57.052 1.00 28.32 C +ATOM 2485 CG HIS A 312 -1.130 4.512 57.659 1.00 27.96 C +ATOM 2486 ND1 HIS A 312 -0.912 4.562 59.019 1.00 26.70 N +ATOM 2487 CD2 HIS A 312 -0.083 5.156 57.090 1.00 27.64 C +ATOM 2488 CE1 HIS A 312 0.218 5.202 59.262 1.00 25.03 C +ATOM 2489 NE2 HIS A 312 0.739 5.573 58.108 1.00 26.53 N +ATOM 2490 N ASP A 313 0.295 1.974 56.171 1.00 32.34 N +ATOM 2491 CA ASP A 313 1.363 1.088 56.605 1.00 33.25 C +ATOM 2492 C ASP A 313 2.546 2.034 56.521 1.00 32.35 C +ATOM 2493 O ASP A 313 3.072 2.280 55.439 1.00 33.08 O +ATOM 2494 CB ASP A 313 1.512 -0.073 55.623 1.00 40.31 C +ATOM 2495 CG ASP A 313 2.796 -0.869 55.839 1.00 45.82 C +ATOM 2496 OD1 ASP A 313 3.547 -0.551 56.801 1.00 46.89 O +ATOM 2497 OD2 ASP A 313 3.045 -1.808 55.040 1.00 46.36 O +ATOM 2498 N PRO A 314 2.994 2.564 57.669 1.00 32.42 N +ATOM 2499 CA PRO A 314 4.116 3.507 57.691 1.00 32.44 C +ATOM 2500 C PRO A 314 5.370 3.008 57.025 1.00 34.11 C +ATOM 2501 O PRO A 314 6.216 3.803 56.621 1.00 36.26 O +ATOM 2502 CB PRO A 314 4.333 3.807 59.177 1.00 33.09 C +ATOM 2503 CG PRO A 314 3.605 2.735 59.915 1.00 34.39 C +ATOM 2504 CD PRO A 314 2.507 2.241 59.021 1.00 33.33 C +ATOM 2505 N ASP A 315 5.491 1.692 56.893 1.00 35.67 N +ATOM 2506 CA ASP A 315 6.684 1.121 56.283 1.00 35.58 C +ATOM 2507 C ASP A 315 6.595 1.112 54.774 1.00 35.64 C +ATOM 2508 O ASP A 315 7.578 0.842 54.091 1.00 35.77 O +ATOM 2509 CB ASP A 315 6.927 -0.287 56.808 1.00 36.19 C +ATOM 2510 CG ASP A 315 7.259 -0.295 58.276 1.00 38.90 C +ATOM 2511 OD1 ASP A 315 7.935 0.657 58.730 1.00 35.81 O +ATOM 2512 OD2 ASP A 315 6.843 -1.244 58.976 1.00 42.85 O +ATOM 2513 N ASP A 316 5.414 1.409 54.249 1.00 34.29 N +ATOM 2514 CA ASP A 316 5.251 1.432 52.812 1.00 33.68 C +ATOM 2515 C ASP A 316 4.893 2.808 52.278 1.00 33.15 C +ATOM 2516 O ASP A 316 4.235 2.930 51.241 1.00 34.79 O +ATOM 2517 CB ASP A 316 4.191 0.427 52.371 1.00 34.77 C +ATOM 2518 CG ASP A 316 4.391 -0.017 50.934 1.00 37.15 C +ATOM 2519 OD1 ASP A 316 5.390 0.417 50.303 1.00 34.06 O +ATOM 2520 OD2 ASP A 316 3.551 -0.797 50.440 1.00 37.95 O +ATOM 2521 N GLU A 317 5.328 3.849 52.976 1.00 28.89 N +ATOM 2522 CA GLU A 317 5.059 5.203 52.525 1.00 25.55 C +ATOM 2523 C GLU A 317 6.397 5.926 52.548 1.00 25.85 C +ATOM 2524 O GLU A 317 6.645 6.772 53.405 1.00 25.15 O +ATOM 2525 CB GLU A 317 4.045 5.842 53.460 1.00 25.24 C +ATOM 2526 CG GLU A 317 2.657 5.278 53.237 1.00 22.63 C +ATOM 2527 CD GLU A 317 1.796 5.299 54.463 1.00 21.77 C +ATOM 2528 OE1 GLU A 317 2.163 6.005 55.438 1.00 23.51 O +ATOM 2529 OE2 GLU A 317 0.747 4.610 54.441 1.00 19.34 O +ATOM 2530 N PRO A 318 7.271 5.611 51.575 1.00 23.32 N +ATOM 2531 CA PRO A 318 8.605 6.196 51.454 1.00 20.70 C +ATOM 2532 C PRO A 318 8.676 7.667 51.145 1.00 22.52 C +ATOM 2533 O PRO A 318 7.744 8.252 50.595 1.00 25.10 O +ATOM 2534 CB PRO A 318 9.255 5.360 50.364 1.00 20.79 C +ATOM 2535 CG PRO A 318 8.124 4.906 49.530 1.00 21.06 C +ATOM 2536 CD PRO A 318 6.988 4.677 50.471 1.00 23.55 C +ATOM 2537 N VAL A 319 9.806 8.262 51.521 1.00 23.24 N +ATOM 2538 CA VAL A 319 10.058 9.671 51.265 1.00 24.01 C +ATOM 2539 C VAL A 319 11.120 9.746 50.159 1.00 24.73 C +ATOM 2540 O VAL A 319 11.658 8.717 49.731 1.00 24.89 O +ATOM 2541 CB VAL A 319 10.526 10.421 52.556 1.00 23.95 C +ATOM 2542 CG1 VAL A 319 9.387 10.440 53.570 1.00 22.27 C +ATOM 2543 CG2 VAL A 319 11.757 9.755 53.160 1.00 21.27 C +ATOM 2544 N ALA A 320 11.417 10.952 49.693 1.00 22.73 N +ATOM 2545 CA ALA A 320 12.364 11.122 48.611 1.00 23.34 C +ATOM 2546 C ALA A 320 13.790 11.413 49.018 1.00 26.79 C +ATOM 2547 O ALA A 320 14.080 11.745 50.170 1.00 26.45 O +ATOM 2548 CB ALA A 320 11.890 12.216 47.700 1.00 21.75 C +ATOM 2549 N ASP A 321 14.684 11.277 48.042 1.00 29.66 N +ATOM 2550 CA ASP A 321 16.092 11.571 48.257 1.00 32.84 C +ATOM 2551 C ASP A 321 16.065 13.075 48.212 1.00 31.45 C +ATOM 2552 O ASP A 321 15.113 13.672 47.697 1.00 30.09 O +ATOM 2553 CB ASP A 321 16.969 11.083 47.099 1.00 37.04 C +ATOM 2554 CG ASP A 321 17.303 9.611 47.185 1.00 40.09 C +ATOM 2555 OD1 ASP A 321 17.246 9.033 48.297 1.00 36.25 O +ATOM 2556 OD2 ASP A 321 17.630 9.043 46.120 1.00 42.30 O +ATOM 2557 N PRO A 322 17.113 13.716 48.730 1.00 31.06 N +ATOM 2558 CA PRO A 322 17.104 15.179 48.693 1.00 31.32 C +ATOM 2559 C PRO A 322 17.049 15.698 47.250 1.00 30.75 C +ATOM 2560 O PRO A 322 17.689 15.142 46.357 1.00 30.22 O +ATOM 2561 CB PRO A 322 18.406 15.572 49.405 1.00 31.06 C +ATOM 2562 CG PRO A 322 18.880 14.326 50.104 1.00 31.97 C +ATOM 2563 CD PRO A 322 18.328 13.163 49.353 1.00 30.44 C +ATOM 2564 N TYR A 323 16.267 16.749 47.023 1.00 31.51 N +ATOM 2565 CA TYR A 323 16.162 17.342 45.697 1.00 31.33 C +ATOM 2566 C TYR A 323 16.837 18.716 45.694 1.00 33.11 C +ATOM 2567 O TYR A 323 16.402 19.647 46.383 1.00 33.78 O +ATOM 2568 CB TYR A 323 14.694 17.469 45.285 1.00 26.40 C +ATOM 2569 CG TYR A 323 14.484 18.170 43.959 1.00 29.50 C +ATOM 2570 CD1 TYR A 323 15.028 17.658 42.775 1.00 31.11 C +ATOM 2571 CD2 TYR A 323 13.722 19.335 43.880 1.00 29.36 C +ATOM 2572 CE1 TYR A 323 14.813 18.302 41.532 1.00 30.00 C +ATOM 2573 CE2 TYR A 323 13.502 19.980 42.656 1.00 29.17 C +ATOM 2574 CZ TYR A 323 14.048 19.463 41.486 1.00 30.33 C +ATOM 2575 OH TYR A 323 13.828 20.117 40.291 1.00 27.94 O +ATOM 2576 N ASP A 324 17.901 18.829 44.905 1.00 35.81 N +ATOM 2577 CA ASP A 324 18.679 20.056 44.791 1.00 35.67 C +ATOM 2578 C ASP A 324 18.045 21.041 43.811 1.00 34.26 C +ATOM 2579 O ASP A 324 18.120 20.848 42.600 1.00 34.16 O +ATOM 2580 CB ASP A 324 20.098 19.697 44.336 1.00 38.96 C +ATOM 2581 CG ASP A 324 21.026 20.905 44.265 1.00 41.84 C +ATOM 2582 OD1 ASP A 324 21.101 21.550 43.197 1.00 44.68 O +ATOM 2583 OD2 ASP A 324 21.697 21.209 45.270 1.00 44.51 O +ATOM 2584 N GLN A 325 17.418 22.095 44.326 1.00 33.46 N +ATOM 2585 CA GLN A 325 16.807 23.086 43.445 1.00 35.24 C +ATOM 2586 C GLN A 325 17.608 24.385 43.399 1.00 36.53 C +ATOM 2587 O GLN A 325 17.070 25.447 43.049 1.00 35.88 O +ATOM 2588 CB GLN A 325 15.390 23.427 43.892 1.00 35.78 C +ATOM 2589 CG GLN A 325 14.665 22.359 44.645 1.00 37.47 C +ATOM 2590 CD GLN A 325 13.172 22.587 44.607 1.00 38.41 C +ATOM 2591 OE1 GLN A 325 12.672 23.346 43.772 1.00 38.60 O +ATOM 2592 NE2 GLN A 325 12.447 21.934 45.505 1.00 38.85 N +ATOM 2593 N SER A 326 18.887 24.314 43.757 1.00 35.89 N +ATOM 2594 CA SER A 326 19.727 25.510 43.745 1.00 34.65 C +ATOM 2595 C SER A 326 19.634 26.195 42.388 1.00 33.09 C +ATOM 2596 O SER A 326 19.536 27.415 42.311 1.00 33.60 O +ATOM 2597 CB SER A 326 21.186 25.147 44.025 1.00 36.61 C +ATOM 2598 OG SER A 326 21.340 23.756 44.238 1.00 39.62 O +ATOM 2599 N PHE A 327 19.644 25.397 41.321 1.00 30.16 N +ATOM 2600 CA PHE A 327 19.578 25.925 39.966 1.00 28.02 C +ATOM 2601 C PHE A 327 18.447 26.936 39.784 1.00 27.72 C +ATOM 2602 O PHE A 327 18.539 27.849 38.975 1.00 25.32 O +ATOM 2603 CB PHE A 327 19.418 24.771 38.963 1.00 26.84 C +ATOM 2604 CG PHE A 327 18.053 24.116 38.986 1.00 28.26 C +ATOM 2605 CD1 PHE A 327 16.986 24.660 38.259 1.00 26.01 C +ATOM 2606 CD2 PHE A 327 17.839 22.943 39.723 1.00 26.67 C +ATOM 2607 CE1 PHE A 327 15.731 24.048 38.264 1.00 24.66 C +ATOM 2608 CE2 PHE A 327 16.592 22.323 39.735 1.00 25.43 C +ATOM 2609 CZ PHE A 327 15.535 22.875 39.004 1.00 24.82 C +ATOM 2610 N GLU A 328 17.374 26.772 40.542 1.00 31.29 N +ATOM 2611 CA GLU A 328 16.231 27.672 40.435 1.00 33.04 C +ATOM 2612 C GLU A 328 16.616 29.147 40.572 1.00 34.71 C +ATOM 2613 O GLU A 328 15.991 30.028 39.974 1.00 34.90 O +ATOM 2614 CB GLU A 328 15.194 27.299 41.489 1.00 30.15 C +ATOM 2615 CG GLU A 328 14.423 26.056 41.147 1.00 27.28 C +ATOM 2616 CD GLU A 328 13.609 26.216 39.890 1.00 27.59 C +ATOM 2617 OE1 GLU A 328 13.718 27.263 39.213 1.00 26.09 O +ATOM 2618 OE2 GLU A 328 12.849 25.283 39.582 1.00 33.57 O +ATOM 2619 N SER A 329 17.650 29.407 41.363 1.00 35.13 N +ATOM 2620 CA SER A 329 18.107 30.761 41.582 1.00 35.49 C +ATOM 2621 C SER A 329 19.365 31.059 40.789 1.00 36.25 C +ATOM 2622 O SER A 329 20.002 32.081 41.013 1.00 41.07 O +ATOM 2623 CB SER A 329 18.363 30.992 43.074 1.00 35.28 C +ATOM 2624 OG SER A 329 18.826 29.820 43.719 1.00 36.08 O +ATOM 2625 N ARG A 330 19.730 30.173 39.867 1.00 37.10 N +ATOM 2626 CA ARG A 330 20.928 30.383 39.047 1.00 36.83 C +ATOM 2627 C ARG A 330 20.621 31.259 37.837 1.00 35.97 C +ATOM 2628 O ARG A 330 19.574 31.118 37.194 1.00 33.69 O +ATOM 2629 CB ARG A 330 21.516 29.039 38.588 1.00 36.14 C +ATOM 2630 CG ARG A 330 23.035 28.951 38.674 1.00 38.79 C +ATOM 2631 CD ARG A 330 23.511 27.794 39.553 1.00 39.33 C +ATOM 2632 NE ARG A 330 23.752 28.242 40.924 1.00 44.94 N +ATOM 2633 CZ ARG A 330 23.639 27.472 42.006 1.00 44.83 C +ATOM 2634 NH1 ARG A 330 23.289 26.198 41.894 1.00 45.35 N +ATOM 2635 NH2 ARG A 330 23.836 27.995 43.210 1.00 45.61 N +ATOM 2636 N ASP A 331 21.544 32.173 37.551 1.00 37.16 N +ATOM 2637 CA ASP A 331 21.421 33.107 36.434 1.00 42.45 C +ATOM 2638 C ASP A 331 22.357 32.669 35.299 1.00 41.75 C +ATOM 2639 O ASP A 331 23.548 33.008 35.292 1.00 41.01 O +ATOM 2640 CB ASP A 331 21.774 34.527 36.906 1.00 48.67 C +ATOM 2641 CG ASP A 331 21.436 35.612 35.864 1.00 54.22 C +ATOM 2642 OD1 ASP A 331 20.764 35.306 34.841 1.00 56.16 O +ATOM 2643 OD2 ASP A 331 21.851 36.780 36.077 1.00 55.22 O +ATOM 2644 N LEU A 332 21.797 31.925 34.342 1.00 39.21 N +ATOM 2645 CA LEU A 332 22.549 31.384 33.215 1.00 35.44 C +ATOM 2646 C LEU A 332 22.046 31.810 31.841 1.00 35.56 C +ATOM 2647 O LEU A 332 20.898 32.231 31.685 1.00 35.52 O +ATOM 2648 CB LEU A 332 22.525 29.858 33.276 1.00 32.71 C +ATOM 2649 CG LEU A 332 23.041 29.164 34.531 1.00 32.45 C +ATOM 2650 CD1 LEU A 332 22.806 27.672 34.397 1.00 32.62 C +ATOM 2651 CD2 LEU A 332 24.522 29.462 34.729 1.00 32.60 C +ATOM 2652 N LEU A 333 22.912 31.673 30.841 1.00 35.40 N +ATOM 2653 CA LEU A 333 22.550 32.009 29.471 1.00 40.31 C +ATOM 2654 C LEU A 333 21.855 30.787 28.858 1.00 41.65 C +ATOM 2655 O LEU A 333 21.915 29.691 29.425 1.00 40.76 O +ATOM 2656 CB LEU A 333 23.804 32.364 28.666 1.00 41.72 C +ATOM 2657 CG LEU A 333 24.671 33.471 29.276 1.00 41.99 C +ATOM 2658 CD1 LEU A 333 26.128 33.189 28.983 1.00 41.46 C +ATOM 2659 CD2 LEU A 333 24.266 34.824 28.706 1.00 41.02 C +ATOM 2660 N ILE A 334 21.197 30.963 27.711 1.00 42.11 N +ATOM 2661 CA ILE A 334 20.501 29.845 27.078 1.00 41.83 C +ATOM 2662 C ILE A 334 21.442 28.644 26.912 1.00 42.49 C +ATOM 2663 O ILE A 334 21.142 27.536 27.357 1.00 42.02 O +ATOM 2664 CB ILE A 334 19.924 30.239 25.686 1.00 40.01 C +ATOM 2665 CG1 ILE A 334 18.727 31.180 25.861 1.00 41.21 C +ATOM 2666 CG2 ILE A 334 19.479 28.989 24.933 1.00 38.90 C +ATOM 2667 CD1 ILE A 334 17.933 31.445 24.580 1.00 37.45 C +ATOM 2668 N ASP A 335 22.590 28.880 26.290 1.00 42.03 N +ATOM 2669 CA ASP A 335 23.564 27.829 26.049 1.00 42.08 C +ATOM 2670 C ASP A 335 24.003 27.103 27.314 1.00 39.97 C +ATOM 2671 O ASP A 335 24.435 25.942 27.266 1.00 39.09 O +ATOM 2672 CB ASP A 335 24.790 28.425 25.361 1.00 47.12 C +ATOM 2673 CG ASP A 335 24.649 28.449 23.856 1.00 52.81 C +ATOM 2674 OD1 ASP A 335 23.493 28.557 23.384 1.00 56.42 O +ATOM 2675 OD2 ASP A 335 25.683 28.357 23.147 1.00 54.36 O +ATOM 2676 N GLU A 336 23.912 27.790 28.445 1.00 36.96 N +ATOM 2677 CA GLU A 336 24.324 27.187 29.698 1.00 35.50 C +ATOM 2678 C GLU A 336 23.203 26.296 30.236 1.00 36.30 C +ATOM 2679 O GLU A 336 23.465 25.248 30.841 1.00 37.40 O +ATOM 2680 CB GLU A 336 24.714 28.277 30.701 1.00 34.10 C +ATOM 2681 CG GLU A 336 26.034 28.964 30.359 1.00 32.84 C +ATOM 2682 CD GLU A 336 26.368 30.143 31.268 1.00 34.66 C +ATOM 2683 OE1 GLU A 336 25.452 30.720 31.896 1.00 34.28 O +ATOM 2684 OE2 GLU A 336 27.563 30.492 31.349 1.00 36.18 O +ATOM 2685 N TRP A 337 21.954 26.701 30.009 1.00 35.08 N +ATOM 2686 CA TRP A 337 20.809 25.904 30.454 1.00 32.95 C +ATOM 2687 C TRP A 337 20.773 24.690 29.526 1.00 32.61 C +ATOM 2688 O TRP A 337 20.475 23.575 29.942 1.00 33.42 O +ATOM 2689 CB TRP A 337 19.505 26.709 30.318 1.00 29.67 C +ATOM 2690 CG TRP A 337 19.209 27.609 31.478 1.00 27.47 C +ATOM 2691 CD1 TRP A 337 18.957 28.958 31.438 1.00 29.60 C +ATOM 2692 CD2 TRP A 337 19.161 27.234 32.854 1.00 25.20 C +ATOM 2693 NE1 TRP A 337 18.759 29.442 32.710 1.00 26.98 N +ATOM 2694 CE2 TRP A 337 18.879 28.407 33.599 1.00 26.72 C +ATOM 2695 CE3 TRP A 337 19.330 26.021 33.534 1.00 25.90 C +ATOM 2696 CZ2 TRP A 337 18.764 28.398 34.998 1.00 27.24 C +ATOM 2697 CZ3 TRP A 337 19.215 26.009 34.923 1.00 27.93 C +ATOM 2698 CH2 TRP A 337 18.935 27.193 35.641 1.00 27.29 C +ATOM 2699 N LYS A 338 21.106 24.942 28.264 1.00 35.09 N +ATOM 2700 CA LYS A 338 21.149 23.938 27.203 1.00 35.91 C +ATOM 2701 C LYS A 338 22.253 22.911 27.439 1.00 35.92 C +ATOM 2702 O LYS A 338 22.104 21.741 27.100 1.00 36.92 O +ATOM 2703 CB LYS A 338 21.376 24.643 25.865 1.00 37.88 C +ATOM 2704 CG LYS A 338 21.345 23.756 24.647 1.00 41.66 C +ATOM 2705 CD LYS A 338 20.928 24.573 23.431 1.00 45.73 C +ATOM 2706 CE LYS A 338 21.897 24.381 22.301 1.00 48.43 C +ATOM 2707 NZ LYS A 338 22.417 22.997 22.351 1.00 53.20 N +ATOM 2708 N SER A 339 23.369 23.352 28.007 1.00 35.67 N +ATOM 2709 CA SER A 339 24.467 22.442 28.289 1.00 35.18 C +ATOM 2710 C SER A 339 24.102 21.560 29.484 1.00 34.55 C +ATOM 2711 O SER A 339 24.371 20.354 29.489 1.00 36.95 O +ATOM 2712 CB SER A 339 25.751 23.221 28.592 1.00 35.08 C +ATOM 2713 OG SER A 339 26.831 22.323 28.826 1.00 37.74 O +ATOM 2714 N LEU A 340 23.488 22.170 30.494 1.00 31.42 N +ATOM 2715 CA LEU A 340 23.081 21.444 31.693 1.00 30.29 C +ATOM 2716 C LEU A 340 22.048 20.392 31.328 1.00 29.34 C +ATOM 2717 O LEU A 340 22.079 19.281 31.851 1.00 29.55 O +ATOM 2718 CB LEU A 340 22.472 22.402 32.719 1.00 30.55 C +ATOM 2719 CG LEU A 340 23.264 22.692 33.991 1.00 28.78 C +ATOM 2720 CD1 LEU A 340 24.742 22.442 33.764 1.00 28.37 C +ATOM 2721 CD2 LEU A 340 23.017 24.132 34.388 1.00 29.79 C +ATOM 2722 N THR A 341 21.126 20.760 30.438 1.00 28.47 N +ATOM 2723 CA THR A 341 20.082 19.845 29.992 1.00 28.02 C +ATOM 2724 C THR A 341 20.747 18.659 29.301 1.00 28.44 C +ATOM 2725 O THR A 341 20.452 17.502 29.613 1.00 27.10 O +ATOM 2726 CB THR A 341 19.093 20.533 29.004 1.00 26.70 C +ATOM 2727 OG1 THR A 341 18.306 21.506 29.703 1.00 25.70 O +ATOM 2728 CG2 THR A 341 18.154 19.519 28.386 1.00 24.06 C +ATOM 2729 N TYR A 342 21.661 18.953 28.381 1.00 29.18 N +ATOM 2730 CA TYR A 342 22.366 17.912 27.647 1.00 29.31 C +ATOM 2731 C TYR A 342 23.061 16.932 28.573 1.00 31.48 C +ATOM 2732 O TYR A 342 23.059 15.729 28.323 1.00 31.20 O +ATOM 2733 CB TYR A 342 23.406 18.525 26.731 1.00 33.31 C +ATOM 2734 CG TYR A 342 24.122 17.504 25.891 1.00 35.56 C +ATOM 2735 CD1 TYR A 342 23.455 16.838 24.860 1.00 38.16 C +ATOM 2736 CD2 TYR A 342 25.475 17.226 26.098 1.00 34.82 C +ATOM 2737 CE1 TYR A 342 24.115 15.924 24.049 1.00 40.58 C +ATOM 2738 CE2 TYR A 342 26.152 16.316 25.297 1.00 36.54 C +ATOM 2739 CZ TYR A 342 25.466 15.665 24.270 1.00 40.24 C +ATOM 2740 OH TYR A 342 26.119 14.758 23.462 1.00 41.37 O +ATOM 2741 N ASP A 343 23.684 17.454 29.628 1.00 33.87 N +ATOM 2742 CA ASP A 343 24.387 16.616 30.600 1.00 34.82 C +ATOM 2743 C ASP A 343 23.386 15.672 31.282 1.00 32.43 C +ATOM 2744 O ASP A 343 23.657 14.486 31.478 1.00 29.95 O +ATOM 2745 CB ASP A 343 25.052 17.487 31.680 1.00 40.16 C +ATOM 2746 CG ASP A 343 26.283 18.245 31.171 1.00 45.27 C +ATOM 2747 OD1 ASP A 343 26.737 17.970 30.028 1.00 44.94 O +ATOM 2748 OD2 ASP A 343 26.790 19.117 31.933 1.00 47.28 O +ATOM 2749 N GLU A 344 22.233 16.223 31.648 1.00 28.41 N +ATOM 2750 CA GLU A 344 21.195 15.467 32.312 1.00 25.88 C +ATOM 2751 C GLU A 344 20.648 14.398 31.374 1.00 27.51 C +ATOM 2752 O GLU A 344 20.310 13.302 31.820 1.00 27.57 O +ATOM 2753 CB GLU A 344 20.085 16.415 32.774 1.00 25.42 C +ATOM 2754 CG GLU A 344 20.461 17.277 33.972 1.00 24.92 C +ATOM 2755 CD GLU A 344 20.771 16.448 35.213 1.00 28.98 C +ATOM 2756 OE1 GLU A 344 20.385 15.263 35.256 1.00 30.75 O +ATOM 2757 OE2 GLU A 344 21.402 16.973 36.157 1.00 31.92 O +ATOM 2758 N VAL A 345 20.557 14.725 30.081 1.00 25.33 N +ATOM 2759 CA VAL A 345 20.081 13.792 29.049 1.00 26.00 C +ATOM 2760 C VAL A 345 21.119 12.655 28.908 1.00 31.00 C +ATOM 2761 O VAL A 345 20.830 11.464 29.131 1.00 29.96 O +ATOM 2762 CB VAL A 345 19.931 14.506 27.660 1.00 23.33 C +ATOM 2763 CG1 VAL A 345 19.993 13.485 26.534 1.00 21.35 C +ATOM 2764 CG2 VAL A 345 18.620 15.285 27.590 1.00 17.92 C +ATOM 2765 N ILE A 346 22.330 13.054 28.529 1.00 33.51 N +ATOM 2766 CA ILE A 346 23.474 12.157 28.359 1.00 33.99 C +ATOM 2767 C ILE A 346 23.649 11.186 29.548 1.00 33.95 C +ATOM 2768 O ILE A 346 23.921 10.003 29.371 1.00 35.88 O +ATOM 2769 CB ILE A 346 24.767 13.022 28.177 1.00 32.55 C +ATOM 2770 CG1 ILE A 346 24.730 13.695 26.815 1.00 32.26 C +ATOM 2771 CG2 ILE A 346 26.023 12.189 28.306 1.00 33.97 C +ATOM 2772 CD1 ILE A 346 24.363 12.775 25.696 1.00 28.93 C +ATOM 2773 N SER A 347 23.462 11.689 30.756 1.00 33.49 N +ATOM 2774 CA SER A 347 23.639 10.879 31.947 1.00 35.51 C +ATOM 2775 C SER A 347 22.447 10.056 32.454 1.00 36.93 C +ATOM 2776 O SER A 347 22.568 9.385 33.478 1.00 38.99 O +ATOM 2777 CB SER A 347 24.127 11.780 33.083 1.00 35.44 C +ATOM 2778 OG SER A 347 23.144 12.744 33.440 1.00 39.80 O +ATOM 2779 N PHE A 348 21.310 10.078 31.772 1.00 34.22 N +ATOM 2780 CA PHE A 348 20.171 9.332 32.284 1.00 33.32 C +ATOM 2781 C PHE A 348 20.441 7.829 32.496 1.00 37.80 C +ATOM 2782 O PHE A 348 20.873 7.128 31.580 1.00 38.67 O +ATOM 2783 CB PHE A 348 18.950 9.528 31.367 1.00 28.54 C +ATOM 2784 CG PHE A 348 17.742 8.749 31.810 1.00 27.48 C +ATOM 2785 CD1 PHE A 348 16.997 9.162 32.905 1.00 22.75 C +ATOM 2786 CD2 PHE A 348 17.401 7.547 31.185 1.00 26.97 C +ATOM 2787 CE1 PHE A 348 15.931 8.387 33.381 1.00 25.16 C +ATOM 2788 CE2 PHE A 348 16.337 6.761 31.651 1.00 26.67 C +ATOM 2789 CZ PHE A 348 15.600 7.182 32.755 1.00 25.03 C +ATOM 2790 N VAL A 349 20.209 7.340 33.712 1.00 39.79 N +ATOM 2791 CA VAL A 349 20.385 5.916 33.992 1.00 42.17 C +ATOM 2792 C VAL A 349 18.991 5.380 34.223 1.00 44.76 C +ATOM 2793 O VAL A 349 18.309 5.783 35.149 1.00 44.81 O +ATOM 2794 CB VAL A 349 21.230 5.651 35.228 1.00 41.67 C +ATOM 2795 CG1 VAL A 349 21.066 4.198 35.652 1.00 40.55 C +ATOM 2796 CG2 VAL A 349 22.682 5.932 34.906 1.00 42.42 C +ATOM 2797 N PRO A 350 18.569 4.424 33.403 1.00 49.58 N +ATOM 2798 CA PRO A 350 17.236 3.831 33.494 1.00 54.10 C +ATOM 2799 C PRO A 350 16.836 3.067 34.741 1.00 58.67 C +ATOM 2800 O PRO A 350 17.668 2.450 35.407 1.00 59.14 O +ATOM 2801 CB PRO A 350 17.160 2.941 32.256 1.00 53.74 C +ATOM 2802 CG PRO A 350 18.563 2.555 32.014 1.00 51.41 C +ATOM 2803 CD PRO A 350 19.377 3.772 32.360 1.00 51.40 C +ATOM 2804 N PRO A 351 15.537 3.128 35.079 1.00 63.86 N +ATOM 2805 CA PRO A 351 15.002 2.420 36.245 1.00 68.56 C +ATOM 2806 C PRO A 351 15.116 0.923 35.946 1.00 73.08 C +ATOM 2807 O PRO A 351 14.913 0.496 34.811 1.00 72.69 O +ATOM 2808 CB PRO A 351 13.546 2.880 36.315 1.00 67.68 C +ATOM 2809 CG PRO A 351 13.222 3.378 34.950 1.00 64.47 C +ATOM 2810 CD PRO A 351 14.499 3.918 34.387 1.00 63.08 C +ATOM 2811 N PRO A 352 15.451 0.114 36.962 1.00 78.23 N +ATOM 2812 CA PRO A 352 15.587 -1.335 36.748 1.00 82.40 C +ATOM 2813 C PRO A 352 14.296 -2.102 36.457 1.00 85.29 C +ATOM 2814 O PRO A 352 13.193 -1.676 36.804 1.00 84.26 O +ATOM 2815 CB PRO A 352 16.267 -1.821 38.024 1.00 82.74 C +ATOM 2816 CG PRO A 352 15.865 -0.822 39.063 1.00 81.10 C +ATOM 2817 CD PRO A 352 15.725 0.502 38.355 1.00 80.21 C +ATOM 2818 N LEU A 353 14.470 -3.246 35.808 1.00 88.90 N +ATOM 2819 CA LEU A 353 13.362 -4.116 35.440 1.00 93.15 C +ATOM 2820 C LEU A 353 13.270 -5.274 36.429 1.00 96.73 C +ATOM 2821 O LEU A 353 14.070 -6.211 36.364 1.00 98.86 O +ATOM 2822 CB LEU A 353 13.588 -4.683 34.036 1.00 91.46 C +ATOM 2823 CG LEU A 353 13.330 -3.785 32.833 1.00 90.01 C +ATOM 2824 CD1 LEU A 353 14.182 -4.265 31.670 1.00 89.16 C +ATOM 2825 CD2 LEU A 353 11.854 -3.831 32.476 1.00 89.63 C +ATOM 2826 N ASP A 354 12.307 -5.214 37.346 1.00 99.03 N +ATOM 2827 CA ASP A 354 12.137 -6.283 38.330 1.00100.00 C +ATOM 2828 C ASP A 354 10.761 -6.248 39.000 1.00100.00 C +ATOM 2829 O ASP A 354 9.758 -6.464 38.283 1.00100.00 O +ATOM 2830 CB ASP A 354 13.246 -6.209 39.394 1.00100.00 C +ATOM 2831 CG ASP A 354 14.173 -7.419 39.361 1.00100.00 C +ATOM 2832 OD1 ASP A 354 13.745 -8.511 39.795 1.00 99.27 O +ATOM 2833 OD2 ASP A 354 15.329 -7.281 38.903 1.00 99.86 O +TER 2834 ASP A 354 +HETATM 2835 O2 SB2 A 800 -0.940 21.570 27.801 1.00 75.60 O +HETATM 2836 C1 SB2 A 800 1.767 22.346 28.287 1.00 75.48 C +HETATM 2837 S1 SB2 A 800 0.588 21.264 27.403 1.00 75.07 S +HETATM 2838 CA1 SB2 A 800 0.463 17.215 27.773 1.00 66.70 C +HETATM 2839 CA2 SB2 A 800 0.075 18.563 27.590 1.00 69.49 C +HETATM 2840 CA3 SB2 A 800 1.069 19.579 27.613 1.00 71.50 C +HETATM 2841 CA4 SB2 A 800 2.444 19.278 27.802 1.00 68.18 C +HETATM 2842 CA5 SB2 A 800 2.826 17.933 27.981 1.00 66.56 C +HETATM 2843 CA6 SB2 A 800 1.852 16.853 27.972 1.00 63.47 C +HETATM 2844 NB1 SB2 A 800 0.469 9.354 28.905 1.00 51.18 N +HETATM 2845 CB2 SB2 A 800 0.033 10.130 27.884 1.00 51.09 C +HETATM 2846 CB3 SB2 A 800 0.560 11.449 27.685 1.00 51.52 C +HETATM 2847 CB4 SB2 A 800 1.572 11.953 28.598 1.00 54.09 C +HETATM 2848 CB5 SB2 A 800 1.989 11.057 29.683 1.00 52.94 C +HETATM 2849 CB6 SB2 A 800 1.408 9.765 29.789 1.00 51.35 C +HETATM 2850 NC1 SB2 A 800 1.347 14.432 28.206 1.00 55.23 N +HETATM 2851 CC2 SB2 A 800 2.255 15.490 28.183 1.00 57.53 C +HETATM 2852 NC3 SB2 A 800 3.576 15.169 28.381 1.00 52.86 N +HETATM 2853 CC4 SB2 A 800 3.553 13.784 28.563 1.00 52.74 C +HETATM 2854 CC5 SB2 A 800 2.150 13.303 28.479 1.00 53.92 C +HETATM 2855 CD1 SB2 A 800 5.338 13.337 30.169 1.00 50.85 C +HETATM 2856 CD2 SB2 A 800 6.535 12.707 30.543 1.00 52.79 C +HETATM 2857 CD3 SB2 A 800 7.189 11.834 29.638 1.00 51.62 C +HETATM 2858 CD4 SB2 A 800 6.636 11.584 28.339 1.00 49.80 C +HETATM 2859 CD5 SB2 A 800 5.427 12.219 27.960 1.00 49.08 C +HETATM 2860 CD6 SB2 A 800 4.755 13.110 28.880 1.00 51.23 C +HETATM 2861 FD3 SB2 A 800 8.355 11.233 30.035 1.00 53.01 F +HETATM 2862 O HOH A 500 19.052 -0.171 18.445 1.00 38.87 O +HETATM 2863 O HOH A 501 18.188 8.487 11.701 1.00 35.60 O +HETATM 2864 O HOH A 502 7.620 1.478 14.579 1.00 39.34 O +HETATM 2865 O HOH A 503 6.613 16.537 4.078 1.00 48.83 O +HETATM 2866 O HOH A 504 19.414 -1.592 12.490 1.00 40.71 O +HETATM 2867 O HOH A 505 7.125 -3.060 14.228 1.00 29.25 O +HETATM 2868 O HOH A 506 0.651 2.155 19.600 1.00 39.78 O +HETATM 2869 O HOH A 507 11.681 -7.412 24.233 1.00 23.75 O +HETATM 2870 O HOH A 508 6.282 19.766 28.474 1.00 39.10 O +HETATM 2871 O HOH A 509 14.669 14.891 16.076 1.00 34.41 O +HETATM 2872 O HOH A 510 15.270 24.975 20.825 1.00 37.63 O +HETATM 2873 O HOH A 511 20.256 21.932 41.076 1.00 24.85 O +HETATM 2874 O HOH A 512 11.793 9.054 37.295 1.00 22.14 O +HETATM 2875 O HOH A 513 8.065 7.839 39.987 1.00 19.38 O +HETATM 2876 O HOH A 514 9.120 5.735 46.715 1.00 46.24 O +HETATM 2877 O HOH A 515 5.879 5.447 38.151 1.00 64.09 O +HETATM 2878 O HOH A 516 18.783 17.078 18.194 1.00 36.64 O +HETATM 2879 O HOH A 517 -11.978 18.845 36.793 1.00 35.92 O +HETATM 2880 O HOH A 518 -21.268 15.604 35.332 1.00 29.98 O +HETATM 2881 O HOH A 519 -21.367 11.644 50.053 1.00 51.14 O +HETATM 2882 O HOH A 520 -25.555 12.671 46.071 1.00 42.89 O +HETATM 2883 O HOH A 521 -17.812 8.478 52.671 1.00 32.45 O +HETATM 2884 O HOH A 522 -9.134 2.966 55.382 1.00 43.74 O +HETATM 2885 O HOH A 523 6.461 14.884 53.637 1.00 31.44 O +HETATM 2886 O HOH A 524 14.051 9.369 45.461 1.00 24.60 O +HETATM 2887 O HOH A 525 2.759 17.554 53.512 1.00 25.26 O +HETATM 2888 O HOH A 526 -5.078 23.199 41.615 1.00 19.78 O +HETATM 2889 O HOH A 527 -2.250 21.705 44.351 1.00 18.07 O +HETATM 2890 O HOH A 528 -2.766 19.448 33.285 1.00 34.21 O +HETATM 2891 O HOH A 529 0.445 21.325 35.199 1.00 29.60 O +HETATM 2892 O HOH A 530 3.448 14.898 33.455 1.00 32.72 O +HETATM 2893 O HOH A 531 2.591 24.612 35.679 1.00 60.41 O +HETATM 2894 O HOH A 532 -5.853 34.141 33.796 1.00 40.33 O +HETATM 2895 O HOH A 533 -0.944 28.632 34.415 1.00 48.55 O +HETATM 2896 O HOH A 534 -22.247 24.865 39.452 1.00 24.16 O +HETATM 2897 O HOH A 535 -18.710 22.393 37.927 1.00 23.96 O +HETATM 2898 O HOH A 536 -15.958 32.198 32.345 1.00 33.34 O +HETATM 2899 O HOH A 537 -7.390 24.203 40.182 1.00 52.41 O +HETATM 2900 O HOH A 538 -10.499 26.321 46.096 1.00 18.30 O +HETATM 2901 O HOH A 539 -13.342 22.531 44.157 1.00 14.66 O +HETATM 2902 O HOH A 540 -3.699 25.060 46.055 1.00 21.25 O +HETATM 2903 O HOH A 541 -15.126 19.761 38.796 1.00 32.03 O +HETATM 2904 O HOH A 542 0.092 28.758 51.919 1.00 32.17 O +HETATM 2905 O HOH A 543 -13.822 20.051 44.145 1.00 17.22 O +HETATM 2906 O HOH A 544 -18.112 18.613 46.895 1.00 21.52 O +HETATM 2907 O HOH A 545 -22.778 19.379 35.542 1.00 33.25 O +HETATM 2908 O HOH A 546 -26.027 16.411 43.528 1.00 38.08 O +HETATM 2909 O HOH A 547 -21.742 31.058 42.113 1.00 48.42 O +HETATM 2910 O HOH A 548 -20.547 30.553 57.003 1.00 20.28 O +HETATM 2911 O HOH A 549 -10.707 27.436 58.434 1.00 32.64 O +HETATM 2912 O HOH A 550 -13.765 36.418 61.041 1.00 31.09 O +HETATM 2913 O HOH A 551 -14.263 39.367 56.795 1.00 31.57 O +HETATM 2914 O HOH A 552 -15.913 42.694 58.416 1.00 46.60 O +HETATM 2915 O HOH A 553 -17.948 20.726 60.842 1.00 34.65 O +HETATM 2916 O HOH A 554 -22.471 19.169 65.544 1.00 37.46 O +HETATM 2917 O HOH A 555 -20.377 17.810 62.466 1.00 45.89 O +HETATM 2918 O HOH A 556 -23.847 13.496 57.417 1.00 48.50 O +HETATM 2919 O HOH A 557 -22.474 13.761 50.603 1.00 29.63 O +HETATM 2920 O HOH A 558 -15.036 15.564 62.842 1.00 33.78 O +HETATM 2921 O HOH A 559 -6.014 20.394 60.368 1.00 25.79 O +HETATM 2922 O HOH A 560 -2.931 30.801 54.610 1.00 38.84 O +HETATM 2923 O HOH A 561 4.043 15.521 54.638 1.00 20.07 O +HETATM 2924 O HOH A 562 -4.191 5.259 59.062 1.00 39.67 O +HETATM 2925 O HOH A 563 12.640 22.592 40.815 1.00 27.83 O +HETATM 2926 O HOH A 564 24.350 25.690 44.817 1.00 28.44 O +HETATM 2927 O HOH A 565 27.470 21.429 31.718 1.00 32.51 O +HETATM 2928 O HOH A 600 1.879 5.288 12.524 1.00 51.39 O +HETATM 2929 O HOH A 601 12.960 18.354 20.930 1.00 54.26 O +HETATM 2930 O HOH A 602 15.604 9.905 43.623 1.00 31.48 O +HETATM 2931 O HOH A 603 5.115 7.584 50.326 1.00 37.15 O +HETATM 2932 O HOH A 604 6.749 3.522 45.879 1.00 31.02 O +HETATM 2933 O HOH A 605 -21.412 14.190 37.096 1.00 52.59 O +HETATM 2934 O HOH A 606 9.074 23.558 49.738 1.00 39.52 O +HETATM 2935 O HOH A 607 8.738 22.826 44.458 1.00 43.63 O +HETATM 2936 O HOH A 608 -3.363 24.585 43.530 1.00 39.06 O +HETATM 2937 O HOH A 609 -9.342 18.578 36.312 1.00 37.67 O +HETATM 2938 O HOH A 610 -24.486 15.407 45.961 1.00 38.52 O +HETATM 2939 O HOH A 611 -19.406 25.769 46.911 1.00 35.27 O +HETATM 2940 O HOH A 612 -0.326 32.198 63.907 1.00 31.16 O +HETATM 2941 O HOH A 613 -12.202 23.326 58.833 1.00 31.79 O +HETATM 2942 O HOH A 614 -18.825 27.303 63.363 1.00 33.04 O +HETATM 2943 O HOH A 615 -21.663 12.774 58.335 1.00 46.67 O +HETATM 2944 O HOH A 616 -16.986 14.380 62.330 1.00 33.98 O +HETATM 2945 O HOH A 617 -8.278 28.666 59.930 1.00 26.25 O +HETATM 2946 O HOH A 618 -1.039 18.345 64.879 1.00 35.97 O +HETATM 2947 O HOH A 619 17.332 27.456 45.327 1.00 50.78 O +HETATM 2948 O HOH A 620 29.576 20.167 30.518 1.00 46.90 O +HETATM 2949 O HOH A 621 8.563 5.508 38.325 1.00 51.63 O +HETATM 2950 O HOH A 622 -27.327 11.650 44.111 1.00 42.65 O +HETATM 2951 O HOH A 623 -20.099 19.960 64.954 1.00 52.46 O +CONECT 2835 2837 +CONECT 2836 2837 +CONECT 2837 2835 2836 2840 +CONECT 2838 2839 2843 +CONECT 2839 2838 2840 +CONECT 2840 2837 2839 2841 +CONECT 2841 2840 2842 +CONECT 2842 2841 2843 +CONECT 2843 2838 2842 2851 +CONECT 2844 2845 2849 +CONECT 2845 2844 2846 +CONECT 2846 2845 2847 +CONECT 2847 2846 2848 2854 +CONECT 2848 2847 2849 +CONECT 2849 2844 2848 +CONECT 2850 2851 2854 +CONECT 2851 2843 2850 2852 +CONECT 2852 2851 2853 +CONECT 2853 2852 2854 2860 +CONECT 2854 2847 2850 2853 +CONECT 2855 2856 2860 +CONECT 2856 2855 2857 +CONECT 2857 2856 2858 2861 +CONECT 2858 2857 2859 +CONECT 2859 2858 2860 +CONECT 2860 2853 2855 2859 +CONECT 2861 2857 +MASTER 311 0 1 18 9 0 3 6 2950 1 27 30 +END diff --git a/data/targets/ppi_benchmark/mdm2_1ycr.pdb b/data/targets/ppi_benchmark/mdm2_1ycr.pdb new file mode 100644 index 0000000000000000000000000000000000000000..10bea8fd1c089ff28184fde5c3e5161fbd6fc1c0 --- /dev/null +++ b/data/targets/ppi_benchmark/mdm2_1ycr.pdb @@ -0,0 +1,1161 @@ +HEADER COMPLEX (ONCOGENE PROTEIN/PEPTIDE) 30-SEP-96 1YCR +TITLE MDM2 BOUND TO THE TRANSACTIVATION DOMAIN OF P53 +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: MDM2; +COMPND 3 CHAIN: A; +COMPND 4 FRAGMENT: RESIDUES 17 - 125; +COMPND 5 SYNONYM: MDM2; +COMPND 6 ENGINEERED: YES; +COMPND 7 MOL_ID: 2; +COMPND 8 MOLECULE: P53; +COMPND 9 CHAIN: B; +COMPND 10 FRAGMENT: RESIDUES 15 - 29; +COMPND 11 ENGINEERED: YES +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; +SOURCE 3 ORGANISM_COMMON: HUMAN; +SOURCE 4 ORGANISM_TAXID: 9606; +SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; +SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; +SOURCE 7 EXPRESSION_SYSTEM_PLASMID: PET3D; +SOURCE 8 MOL_ID: 2 +KEYWDS ANTI-ONCOGENE, DNA-BINDING, TRANSCRIPTION REGULATION, NUCLEAR +KEYWDS 2 PROTEIN, COMPLEX (ONCOGENE PROTEIN-PEPTIDE), PHOSPHORYLATION, +KEYWDS 3 ACTIVATOR, COMPLEX (ONCOGENE PROTEIN-PEPTIDE) COMPLEX +EXPDTA X-RAY DIFFRACTION +AUTHOR P.H.KUSSIE,N.P.PAVLETICH +REVDAT 5 14-FEB-24 1YCR 1 REMARK +REVDAT 4 14-AUG-19 1YCR 1 REMARK +REVDAT 3 17-JUL-19 1YCR 1 REMARK +REVDAT 2 24-FEB-09 1YCR 1 VERSN +REVDAT 1 19-NOV-97 1YCR 0 +JRNL AUTH P.H.KUSSIE,S.GORINA,V.MARECHAL,B.ELENBAAS,J.MOREAU, +JRNL AUTH 2 A.J.LEVINE,N.P.PAVLETICH +JRNL TITL STRUCTURE OF THE MDM2 ONCOPROTEIN BOUND TO THE P53 TUMOR +JRNL TITL 2 SUPPRESSOR TRANSACTIVATION DOMAIN. +JRNL REF SCIENCE V. 274 948 1996 +JRNL REFN ISSN 0036-8075 +JRNL PMID 8875929 +JRNL DOI 10.1126/SCIENCE.274.5289.948 +REMARK 2 +REMARK 2 RESOLUTION. 2.60 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : X-PLOR 3.1 +REMARK 3 AUTHORS : BRUNGER +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.60 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 8.00 +REMARK 3 DATA CUTOFF (SIGMA(F)) : 1.000 +REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL +REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL +REMARK 3 COMPLETENESS (WORKING+TEST) (%) : NULL +REMARK 3 NUMBER OF REFLECTIONS : 3293 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 CROSS-VALIDATION METHOD : NULL +REMARK 3 FREE R VALUE TEST SET SELECTION : NULL +REMARK 3 R VALUE (WORKING SET) : 0.200 +REMARK 3 FREE R VALUE : 0.276 +REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL +REMARK 3 FREE R VALUE TEST SET COUNT : NULL +REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL +REMARK 3 +REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. +REMARK 3 TOTAL NUMBER OF BINS USED : NULL +REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL +REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL +REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL +REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL +REMARK 3 BIN R VALUE (WORKING SET) : NULL +REMARK 3 BIN FREE R VALUE : NULL +REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL +REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL +REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 818 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 0 +REMARK 3 SOLVENT ATOMS : 0 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : NULL +REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : NULL +REMARK 3 B22 (A**2) : NULL +REMARK 3 B33 (A**2) : NULL +REMARK 3 B12 (A**2) : NULL +REMARK 3 B13 (A**2) : NULL +REMARK 3 B23 (A**2) : NULL +REMARK 3 +REMARK 3 ESTIMATED COORDINATE ERROR. +REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL +REMARK 3 ESD FROM SIGMAA (A) : NULL +REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL +REMARK 3 +REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. +REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL +REMARK 3 ESD FROM C-V SIGMAA (A) : NULL +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. +REMARK 3 BOND LENGTHS (A) : 0.013 +REMARK 3 BOND ANGLES (DEGREES) : 1.550 +REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL +REMARK 3 IMPROPER ANGLES (DEGREES) : NULL +REMARK 3 +REMARK 3 ISOTROPIC THERMAL MODEL : NULL +REMARK 3 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA +REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL +REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL +REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL +REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL +REMARK 3 +REMARK 3 NCS MODEL : NULL +REMARK 3 +REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT +REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL +REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL +REMARK 3 +REMARK 3 PARAMETER FILE 1 : NULL +REMARK 3 TOPOLOGY FILE 1 : NULL +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: NULL +REMARK 4 +REMARK 4 1YCR COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. +REMARK 100 THE DEPOSITION ID IS D_1000177367. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : 25-JUL-96 +REMARK 200 TEMPERATURE (KELVIN) : NULL +REMARK 200 PH : NULL +REMARK 200 NUMBER OF CRYSTALS USED : NULL +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : N +REMARK 200 RADIATION SOURCE : NULL +REMARK 200 BEAMLINE : NULL +REMARK 200 X-RAY GENERATOR MODEL : NULL +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 +REMARK 200 MONOCHROMATOR : NULL +REMARK 200 OPTICS : NULL +REMARK 200 +REMARK 200 DETECTOR TYPE : IMAGE PLATE +REMARK 200 DETECTOR MANUFACTURER : RIGAKU +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL +REMARK 200 DATA SCALING SOFTWARE : NULL +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 3559 +REMARK 200 RESOLUTION RANGE HIGH (A) : NULL +REMARK 200 RESOLUTION RANGE LOW (A) : NULL +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 90.0 +REMARK 200 DATA REDUNDANCY : 4.500 +REMARK 200 R MERGE (I) : 0.05200 +REMARK 200 R SYM (I) : NULL +REMARK 200 FOR THE DATA SET : NULL +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL +REMARK 200 COMPLETENESS FOR SHELL (%) : NULL +REMARK 200 DATA REDUNDANCY IN SHELL : NULL +REMARK 200 R MERGE FOR SHELL (I) : NULL +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 FOR SHELL : NULL +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: NULL +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL +REMARK 200 SOFTWARE USED: X-PLOR 3.1 +REMARK 200 STARTING MODEL: NULL +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 41.03 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.09 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: NULL +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 2 2 21 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -X,-Y,Z+1/2 +REMARK 290 3555 -X,Y,-Z+1/2 +REMARK 290 4555 X,-Y,-Z +REMARK 290 5555 X+1/2,Y+1/2,Z +REMARK 290 6555 -X+1/2,-Y+1/2,Z+1/2 +REMARK 290 7555 -X+1/2,Y+1/2,-Z+1/2 +REMARK 290 8555 X+1/2,-Y+1/2,-Z +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 27.42650 +REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 27.42650 +REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 21.70700 +REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 50.27300 +REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 21.70700 +REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 50.27300 +REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 27.42650 +REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 21.70700 +REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 50.27300 +REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 27.42650 +REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 21.70700 +REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 50.27300 +REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 1440 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 5440 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -12.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 465 +REMARK 465 MISSING RESIDUES +REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE +REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) +REMARK 465 +REMARK 465 M RES C SSSEQI +REMARK 465 SER A 17 +REMARK 465 GLN A 18 +REMARK 465 ILE A 19 +REMARK 465 PRO A 20 +REMARK 465 ALA A 21 +REMARK 465 SER A 22 +REMARK 465 GLU A 23 +REMARK 465 GLN A 24 +REMARK 465 VAL A 110 +REMARK 465 ASN A 111 +REMARK 465 GLN A 112 +REMARK 465 GLN A 113 +REMARK 465 GLU A 114 +REMARK 465 SER A 115 +REMARK 465 SER A 116 +REMARK 465 ASP A 117 +REMARK 465 SER A 118 +REMARK 465 GLY A 119 +REMARK 465 THR A 120 +REMARK 465 SER A 121 +REMARK 465 VAL A 122 +REMARK 465 SER A 123 +REMARK 465 GLU A 124 +REMARK 465 ASN A 125 +REMARK 465 SER B 15 +REMARK 465 GLN B 16 +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 ALA A 43 90.74 -69.28 +REMARK 500 ARG A 65 45.24 28.06 +REMARK 500 GLN A 71 79.07 -105.81 +REMARK 500 CYS A 77 18.22 -140.46 +REMARK 500 +REMARK 500 REMARK: NULL +DBREF 1YCR A 17 125 UNP Q00987 MDM2_HUMAN 17 125 +DBREF 1YCR B 15 29 UNP P04637 P53_HUMAN 15 29 +SEQRES 1 A 109 SER GLN ILE PRO ALA SER GLU GLN GLU THR LEU VAL ARG +SEQRES 2 A 109 PRO LYS PRO LEU LEU LEU LYS LEU LEU LYS SER VAL GLY +SEQRES 3 A 109 ALA GLN LYS ASP THR TYR THR MET LYS GLU VAL LEU PHE +SEQRES 4 A 109 TYR LEU GLY GLN TYR ILE MET THR LYS ARG LEU TYR ASP +SEQRES 5 A 109 GLU LYS GLN GLN HIS ILE VAL TYR CYS SER ASN ASP LEU +SEQRES 6 A 109 LEU GLY ASP LEU PHE GLY VAL PRO SER PHE SER VAL LYS +SEQRES 7 A 109 GLU HIS ARG LYS ILE TYR THR MET ILE TYR ARG ASN LEU +SEQRES 8 A 109 VAL VAL VAL ASN GLN GLN GLU SER SER ASP SER GLY THR +SEQRES 9 A 109 SER VAL SER GLU ASN +SEQRES 1 B 15 SER GLN GLU THR PHE SER ASP LEU TRP LYS LEU LEU PRO +SEQRES 2 B 15 GLU ASN +HELIX 1 1 PRO A 32 VAL A 41 1 10 +HELIX 2 2 MET A 50 THR A 63 1 14 +HELIX 3 3 LEU A 81 PHE A 86 1 6 +HELIX 4 4 HIS A 96 ASN A 106 1 11 +HELIX 5 5 PHE B 19 LEU B 25 1 7 +SHEET 1 A 2 ILE A 74 TYR A 76 0 +SHEET 2 A 2 SER A 90 SER A 92 -1 N PHE A 91 O VAL A 75 +CRYST1 43.414 100.546 54.853 90.00 90.00 90.00 C 2 2 21 8 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.023034 0.000000 0.000000 0.00000 +SCALE2 0.000000 0.009946 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.018231 0.00000 +ATOM 1 N GLU A 25 10.801 -12.147 -5.180 1.00 49.08 N +ATOM 2 CA GLU A 25 11.124 -13.382 -4.414 1.00 50.43 C +ATOM 3 C GLU A 25 11.769 -12.878 -3.130 1.00 49.75 C +ATOM 4 O GLU A 25 11.175 -12.047 -2.441 1.00 49.34 O +ATOM 5 CB GLU A 25 12.075 -14.259 -5.228 1.00 53.69 C +ATOM 6 CG GLU A 25 11.564 -14.543 -6.638 1.00 57.47 C +ATOM 7 CD GLU A 25 12.414 -15.556 -7.397 1.00 61.03 C +ATOM 8 OE1 GLU A 25 12.439 -16.745 -6.995 1.00 61.91 O +ATOM 9 OE2 GLU A 25 13.043 -15.163 -8.409 1.00 62.06 O +ATOM 10 N THR A 26 12.965 -13.355 -2.800 1.00 49.81 N +ATOM 11 CA THR A 26 13.656 -12.864 -1.611 1.00 48.43 C +ATOM 12 C THR A 26 14.518 -11.718 -2.102 1.00 44.63 C +ATOM 13 O THR A 26 15.519 -11.956 -2.778 1.00 45.84 O +ATOM 14 CB THR A 26 14.598 -13.915 -1.009 1.00 49.13 C +ATOM 15 OG1 THR A 26 15.478 -14.396 -2.032 1.00 49.45 O +ATOM 16 CG2 THR A 26 13.804 -15.068 -0.397 1.00 49.70 C +ATOM 17 N LEU A 27 14.081 -10.486 -1.869 1.00 38.63 N +ATOM 18 CA LEU A 27 14.863 -9.337 -2.294 1.00 35.16 C +ATOM 19 C LEU A 27 15.877 -8.978 -1.213 1.00 32.59 C +ATOM 20 O LEU A 27 15.495 -8.696 -0.082 1.00 30.66 O +ATOM 21 CB LEU A 27 13.960 -8.146 -2.616 1.00 32.87 C +ATOM 22 CG LEU A 27 13.336 -8.100 -4.010 1.00 29.89 C +ATOM 23 CD1 LEU A 27 13.942 -6.978 -4.794 1.00 29.32 C +ATOM 24 CD2 LEU A 27 13.546 -9.397 -4.744 1.00 27.86 C +ATOM 25 N VAL A 28 17.162 -9.063 -1.553 1.00 30.41 N +ATOM 26 CA VAL A 28 18.243 -8.753 -0.623 1.00 26.97 C +ATOM 27 C VAL A 28 19.056 -7.585 -1.146 1.00 29.59 C +ATOM 28 O VAL A 28 18.977 -7.247 -2.329 1.00 29.91 O +ATOM 29 CB VAL A 28 19.188 -9.980 -0.384 1.00 20.37 C +ATOM 30 CG1 VAL A 28 18.428 -11.110 0.261 1.00 17.22 C +ATOM 31 CG2 VAL A 28 19.819 -10.441 -1.688 1.00 19.17 C +ATOM 32 N ARG A 29 19.785 -6.941 -0.241 1.00 33.20 N +ATOM 33 CA ARG A 29 20.650 -5.812 -0.577 1.00 37.19 C +ATOM 34 C ARG A 29 22.031 -6.257 -0.132 1.00 34.37 C +ATOM 35 O ARG A 29 22.238 -6.530 1.050 1.00 35.05 O +ATOM 36 CB ARG A 29 20.239 -4.577 0.213 1.00 46.45 C +ATOM 37 CG ARG A 29 20.885 -3.295 -0.264 1.00 56.87 C +ATOM 38 CD ARG A 29 20.354 -2.071 0.489 1.00 62.95 C +ATOM 39 NE ARG A 29 18.892 -1.904 0.445 1.00 67.51 N +ATOM 40 CZ ARG A 29 18.168 -1.674 -0.657 1.00 69.80 C +ATOM 41 NH1 ARG A 29 18.743 -1.578 -1.853 1.00 70.00 N +ATOM 42 NH2 ARG A 29 16.853 -1.509 -0.560 1.00 70.00 N +ATOM 43 N PRO A 30 22.976 -6.407 -1.075 1.00 32.61 N +ATOM 44 CA PRO A 30 24.328 -6.842 -0.726 1.00 31.66 C +ATOM 45 C PRO A 30 25.179 -5.801 0.008 1.00 31.16 C +ATOM 46 O PRO A 30 25.136 -4.598 -0.297 1.00 33.84 O +ATOM 47 CB PRO A 30 24.915 -7.215 -2.086 1.00 31.15 C +ATOM 48 CG PRO A 30 24.291 -6.227 -2.989 1.00 31.13 C +ATOM 49 CD PRO A 30 22.853 -6.222 -2.532 1.00 32.34 C +ATOM 50 N LYS A 31 25.928 -6.279 0.997 1.00 26.84 N +ATOM 51 CA LYS A 31 26.812 -5.440 1.782 1.00 25.65 C +ATOM 52 C LYS A 31 27.962 -4.950 0.897 1.00 25.77 C +ATOM 53 O LYS A 31 28.271 -5.569 -0.123 1.00 24.89 O +ATOM 54 CB LYS A 31 27.298 -6.203 3.022 1.00 27.30 C +ATOM 55 CG LYS A 31 26.247 -6.219 4.140 1.00 28.71 C +ATOM 56 CD LYS A 31 26.650 -7.040 5.370 1.00 31.15 C +ATOM 57 CE LYS A 31 25.543 -6.988 6.439 1.00 31.90 C +ATOM 58 NZ LYS A 31 25.561 -8.096 7.463 1.00 32.60 N +ATOM 59 N PRO A 32 28.632 -3.852 1.294 1.00 27.32 N +ATOM 60 CA PRO A 32 29.752 -3.210 0.585 1.00 28.83 C +ATOM 61 C PRO A 32 30.758 -4.109 -0.155 1.00 28.49 C +ATOM 62 O PRO A 32 30.962 -3.960 -1.368 1.00 26.97 O +ATOM 63 CB PRO A 32 30.415 -2.397 1.693 1.00 30.47 C +ATOM 64 CG PRO A 32 29.249 -1.972 2.513 1.00 29.36 C +ATOM 65 CD PRO A 32 28.486 -3.257 2.637 1.00 27.44 C +ATOM 66 N LEU A 33 31.405 -5.018 0.569 1.00 28.99 N +ATOM 67 CA LEU A 33 32.370 -5.908 -0.059 1.00 30.75 C +ATOM 68 C LEU A 33 31.709 -6.751 -1.160 1.00 29.16 C +ATOM 69 O LEU A 33 32.216 -6.834 -2.292 1.00 28.31 O +ATOM 70 CB LEU A 33 33.014 -6.811 1.000 1.00 34.41 C +ATOM 71 CG LEU A 33 34.513 -6.663 1.322 1.00 36.11 C +ATOM 72 CD1 LEU A 33 34.816 -5.269 1.837 1.00 35.52 C +ATOM 73 CD2 LEU A 33 34.923 -7.714 2.356 1.00 36.44 C +ATOM 74 N LEU A 34 30.544 -7.316 -0.838 1.00 26.60 N +ATOM 75 CA LEU A 34 29.801 -8.160 -1.765 1.00 24.24 C +ATOM 76 C LEU A 34 29.264 -7.399 -2.961 1.00 23.47 C +ATOM 77 O LEU A 34 29.189 -7.933 -4.068 1.00 24.63 O +ATOM 78 CB LEU A 34 28.655 -8.872 -1.044 1.00 23.85 C +ATOM 79 CG LEU A 34 27.797 -9.797 -1.918 1.00 22.79 C +ATOM 80 CD1 LEU A 34 28.677 -10.890 -2.495 1.00 20.28 C +ATOM 81 CD2 LEU A 34 26.620 -10.369 -1.110 1.00 22.38 C +ATOM 82 N LEU A 35 28.892 -6.149 -2.747 1.00 22.96 N +ATOM 83 CA LEU A 35 28.366 -5.336 -3.833 1.00 23.98 C +ATOM 84 C LEU A 35 29.470 -5.044 -4.855 1.00 26.54 C +ATOM 85 O LEU A 35 29.231 -5.039 -6.069 1.00 27.25 O +ATOM 86 CB LEU A 35 27.784 -4.054 -3.268 1.00 22.75 C +ATOM 87 CG LEU A 35 26.684 -3.377 -4.074 1.00 23.66 C +ATOM 88 CD1 LEU A 35 27.195 -2.000 -4.438 1.00 26.56 C +ATOM 89 CD2 LEU A 35 26.257 -4.189 -5.304 1.00 21.58 C +ATOM 90 N LYS A 36 30.678 -4.830 -4.340 1.00 28.69 N +ATOM 91 CA LYS A 36 31.883 -4.570 -5.132 1.00 31.72 C +ATOM 92 C LYS A 36 32.209 -5.825 -5.981 1.00 31.71 C +ATOM 93 O LYS A 36 32.513 -5.730 -7.173 1.00 33.69 O +ATOM 94 CB LYS A 36 33.029 -4.269 -4.166 1.00 35.41 C +ATOM 95 CG LYS A 36 34.359 -4.005 -4.810 1.00 39.49 C +ATOM 96 CD LYS A 36 35.454 -4.022 -3.755 1.00 43.89 C +ATOM 97 CE LYS A 36 35.130 -3.090 -2.589 1.00 46.95 C +ATOM 98 NZ LYS A 36 36.283 -2.868 -1.655 1.00 47.38 N +ATOM 99 N LEU A 37 32.162 -6.990 -5.339 1.00 27.34 N +ATOM 100 CA LEU A 37 32.387 -8.279 -5.983 1.00 24.68 C +ATOM 101 C LEU A 37 31.378 -8.413 -7.125 1.00 25.88 C +ATOM 102 O LEU A 37 31.711 -8.866 -8.216 1.00 23.86 O +ATOM 103 CB LEU A 37 32.113 -9.371 -4.943 1.00 25.16 C +ATOM 104 CG LEU A 37 32.290 -10.884 -5.107 1.00 26.21 C +ATOM 105 CD1 LEU A 37 31.802 -11.369 -6.456 1.00 27.27 C +ATOM 106 CD2 LEU A 37 33.737 -11.232 -4.901 1.00 26.79 C +ATOM 107 N LEU A 38 30.130 -8.030 -6.846 1.00 30.28 N +ATOM 108 CA LEU A 38 29.030 -8.111 -7.813 1.00 29.47 C +ATOM 109 C LEU A 38 29.248 -7.215 -9.012 1.00 31.49 C +ATOM 110 O LEU A 38 29.178 -7.680 -10.151 1.00 31.19 O +ATOM 111 CB LEU A 38 27.696 -7.777 -7.134 1.00 24.98 C +ATOM 112 CG LEU A 38 26.681 -8.896 -6.865 1.00 20.36 C +ATOM 113 CD1 LEU A 38 27.327 -10.238 -6.748 1.00 17.92 C +ATOM 114 CD2 LEU A 38 25.941 -8.569 -5.596 1.00 20.85 C +ATOM 115 N LYS A 39 29.521 -5.934 -8.756 1.00 33.42 N +ATOM 116 CA LYS A 39 29.764 -4.979 -9.833 1.00 34.82 C +ATOM 117 C LYS A 39 30.869 -5.531 -10.710 1.00 35.75 C +ATOM 118 O LYS A 39 30.754 -5.535 -11.939 1.00 37.32 O +ATOM 119 CB LYS A 39 30.171 -3.603 -9.293 1.00 38.06 C +ATOM 120 CG LYS A 39 29.133 -2.935 -8.392 1.00 41.92 C +ATOM 121 CD LYS A 39 27.729 -3.178 -8.919 1.00 44.44 C +ATOM 122 CE LYS A 39 26.630 -2.584 -8.055 1.00 46.35 C +ATOM 123 NZ LYS A 39 26.391 -1.133 -8.324 1.00 46.80 N +ATOM 124 N SER A 40 31.889 -6.096 -10.069 1.00 36.07 N +ATOM 125 CA SER A 40 33.022 -6.663 -10.783 1.00 36.72 C +ATOM 126 C SER A 40 32.586 -7.569 -11.941 1.00 37.40 C +ATOM 127 O SER A 40 33.299 -7.675 -12.944 1.00 39.94 O +ATOM 128 CB SER A 40 33.939 -7.422 -9.816 1.00 37.52 C +ATOM 129 OG SER A 40 33.633 -8.802 -9.782 1.00 39.51 O +ATOM 130 N VAL A 41 31.416 -8.202 -11.824 1.00 34.16 N +ATOM 131 CA VAL A 41 30.957 -9.077 -12.896 1.00 30.18 C +ATOM 132 C VAL A 41 29.807 -8.535 -13.711 1.00 29.68 C +ATOM 133 O VAL A 41 29.119 -9.299 -14.378 1.00 32.08 O +ATOM 134 CB VAL A 41 30.651 -10.512 -12.411 1.00 26.76 C +ATOM 135 CG1 VAL A 41 31.934 -11.220 -12.068 1.00 26.46 C +ATOM 136 CG2 VAL A 41 29.764 -10.488 -11.204 1.00 25.44 C +ATOM 137 N GLY A 42 29.618 -7.220 -13.684 1.00 27.40 N +ATOM 138 CA GLY A 42 28.554 -6.605 -14.461 1.00 26.98 C +ATOM 139 C GLY A 42 27.242 -6.280 -13.771 1.00 29.87 C +ATOM 140 O GLY A 42 26.435 -5.515 -14.299 1.00 31.25 O +ATOM 141 N ALA A 43 27.006 -6.857 -12.599 1.00 31.86 N +ATOM 142 CA ALA A 43 25.767 -6.605 -11.863 1.00 33.11 C +ATOM 143 C ALA A 43 25.743 -5.173 -11.340 1.00 36.97 C +ATOM 144 O ALA A 43 26.183 -4.912 -10.224 1.00 37.99 O +ATOM 145 CB ALA A 43 25.629 -7.590 -10.709 1.00 31.88 C +ATOM 146 N GLN A 44 25.196 -4.258 -12.134 1.00 38.43 N +ATOM 147 CA GLN A 44 25.131 -2.841 -11.765 1.00 40.64 C +ATOM 148 C GLN A 44 23.950 -2.382 -10.881 1.00 38.73 C +ATOM 149 O GLN A 44 23.270 -1.417 -11.218 1.00 39.71 O +ATOM 150 CB GLN A 44 25.100 -1.997 -13.038 1.00 44.75 C +ATOM 151 CG GLN A 44 26.061 -2.371 -14.123 1.00 47.84 C +ATOM 152 CD GLN A 44 25.898 -1.446 -15.308 1.00 52.18 C +ATOM 153 OE1 GLN A 44 24.827 -1.385 -15.918 1.00 53.63 O +ATOM 154 NE2 GLN A 44 26.945 -0.680 -15.616 1.00 54.69 N +ATOM 155 N LYS A 45 23.712 -3.000 -9.735 1.00 36.33 N +ATOM 156 CA LYS A 45 22.587 -2.545 -8.939 1.00 35.35 C +ATOM 157 C LYS A 45 22.679 -2.802 -7.445 1.00 38.33 C +ATOM 158 O LYS A 45 23.568 -3.507 -6.978 1.00 40.86 O +ATOM 159 CB LYS A 45 21.277 -3.065 -9.526 1.00 34.15 C +ATOM 160 CG LYS A 45 21.215 -4.557 -9.704 1.00 33.47 C +ATOM 161 CD LYS A 45 19.840 -4.968 -10.170 1.00 33.07 C +ATOM 162 CE LYS A 45 19.581 -6.418 -9.848 1.00 33.29 C +ATOM 163 NZ LYS A 45 18.155 -6.740 -10.064 1.00 33.65 N +ATOM 164 N ASP A 46 21.731 -2.247 -6.703 1.00 39.51 N +ATOM 165 CA ASP A 46 21.717 -2.334 -5.253 1.00 43.18 C +ATOM 166 C ASP A 46 20.770 -3.333 -4.628 1.00 39.04 C +ATOM 167 O ASP A 46 20.897 -3.623 -3.454 1.00 39.67 O +ATOM 168 CB ASP A 46 21.387 -0.944 -4.706 1.00 53.36 C +ATOM 169 CG ASP A 46 21.760 -0.766 -3.242 1.00 63.20 C +ATOM 170 OD1 ASP A 46 22.354 -1.691 -2.634 1.00 67.17 O +ATOM 171 OD2 ASP A 46 21.475 0.336 -2.709 1.00 66.33 O +ATOM 172 N THR A 47 19.798 -3.829 -5.379 1.00 37.84 N +ATOM 173 CA THR A 47 18.826 -4.769 -4.826 1.00 37.77 C +ATOM 174 C THR A 47 18.751 -5.986 -5.729 1.00 33.96 C +ATOM 175 O THR A 47 18.709 -5.842 -6.947 1.00 34.85 O +ATOM 176 CB THR A 47 17.438 -4.093 -4.678 1.00 41.52 C +ATOM 177 OG1 THR A 47 17.606 -2.806 -4.059 1.00 44.57 O +ATOM 178 CG2 THR A 47 16.533 -4.918 -3.789 1.00 41.07 C +ATOM 179 N TYR A 48 18.757 -7.181 -5.139 1.00 29.39 N +ATOM 180 CA TYR A 48 18.751 -8.419 -5.918 1.00 25.54 C +ATOM 181 C TYR A 48 17.912 -9.518 -5.303 1.00 23.68 C +ATOM 182 O TYR A 48 17.644 -9.512 -4.108 1.00 24.17 O +ATOM 183 CB TYR A 48 20.180 -9.004 -5.990 1.00 23.33 C +ATOM 184 CG TYR A 48 21.250 -8.109 -6.562 1.00 20.34 C +ATOM 185 CD1 TYR A 48 21.808 -7.089 -5.796 1.00 19.97 C +ATOM 186 CD2 TYR A 48 21.694 -8.265 -7.875 1.00 19.16 C +ATOM 187 CE1 TYR A 48 22.770 -6.248 -6.323 1.00 18.70 C +ATOM 188 CE2 TYR A 48 22.656 -7.427 -8.400 1.00 19.06 C +ATOM 189 CZ TYR A 48 23.181 -6.424 -7.614 1.00 18.73 C +ATOM 190 OH TYR A 48 24.118 -5.576 -8.118 1.00 21.84 O +ATOM 191 N THR A 49 17.521 -10.484 -6.117 1.00 21.72 N +ATOM 192 CA THR A 49 16.819 -11.630 -5.577 1.00 22.96 C +ATOM 193 C THR A 49 17.970 -12.568 -5.189 1.00 23.47 C +ATOM 194 O THR A 49 19.105 -12.333 -5.602 1.00 21.98 O +ATOM 195 CB THR A 49 15.898 -12.290 -6.628 1.00 24.40 C +ATOM 196 OG1 THR A 49 16.624 -12.552 -7.835 1.00 25.85 O +ATOM 197 CG2 THR A 49 14.738 -11.367 -6.951 1.00 24.83 C +ATOM 198 N MET A 50 17.724 -13.577 -4.359 1.00 26.64 N +ATOM 199 CA MET A 50 18.794 -14.502 -3.998 1.00 28.05 C +ATOM 200 C MET A 50 19.413 -15.149 -5.246 1.00 28.41 C +ATOM 201 O MET A 50 20.624 -15.353 -5.303 1.00 31.46 O +ATOM 202 CB MET A 50 18.290 -15.585 -3.043 1.00 29.52 C +ATOM 203 CG MET A 50 18.786 -15.430 -1.616 1.00 31.67 C +ATOM 204 SD MET A 50 20.561 -15.673 -1.478 1.00 33.21 S +ATOM 205 CE MET A 50 20.698 -17.337 -2.115 1.00 33.22 C +ATOM 206 N LYS A 51 18.595 -15.443 -6.254 1.00 25.59 N +ATOM 207 CA LYS A 51 19.082 -16.054 -7.492 1.00 24.33 C +ATOM 208 C LYS A 51 20.123 -15.240 -8.275 1.00 20.13 C +ATOM 209 O LYS A 51 21.077 -15.814 -8.783 1.00 20.41 O +ATOM 210 CB LYS A 51 17.911 -16.421 -8.405 1.00 26.76 C +ATOM 211 CG LYS A 51 17.019 -17.491 -7.844 1.00 29.23 C +ATOM 212 CD LYS A 51 15.826 -17.759 -8.757 1.00 32.33 C +ATOM 213 CE LYS A 51 14.860 -18.758 -8.123 1.00 35.65 C +ATOM 214 NZ LYS A 51 13.726 -19.097 -9.045 1.00 39.61 N +ATOM 215 N GLU A 52 19.929 -13.927 -8.396 1.00 18.05 N +ATOM 216 CA GLU A 52 20.876 -13.065 -9.111 1.00 17.63 C +ATOM 217 C GLU A 52 22.214 -13.071 -8.387 1.00 18.96 C +ATOM 218 O GLU A 52 23.271 -13.141 -9.011 1.00 21.98 O +ATOM 219 CB GLU A 52 20.379 -11.623 -9.192 1.00 15.17 C +ATOM 220 CG GLU A 52 19.197 -11.420 -10.100 1.00 14.49 C +ATOM 221 CD GLU A 52 18.761 -9.957 -10.221 1.00 14.76 C +ATOM 222 OE1 GLU A 52 18.401 -9.331 -9.195 1.00 14.10 O +ATOM 223 OE2 GLU A 52 18.773 -9.430 -11.359 1.00 16.08 O +ATOM 224 N VAL A 53 22.162 -12.984 -7.063 1.00 16.80 N +ATOM 225 CA VAL A 53 23.367 -12.993 -6.256 1.00 15.61 C +ATOM 226 C VAL A 53 24.177 -14.251 -6.596 1.00 19.06 C +ATOM 227 O VAL A 53 25.280 -14.165 -7.121 1.00 19.53 O +ATOM 228 CB VAL A 53 23.022 -12.909 -4.732 1.00 10.83 C +ATOM 229 CG1 VAL A 53 24.221 -13.377 -3.855 1.00 9.30 C +ATOM 230 CG2 VAL A 53 22.617 -11.464 -4.356 1.00 6.78 C +ATOM 231 N LEU A 54 23.569 -15.414 -6.415 1.00 20.11 N +ATOM 232 CA LEU A 54 24.244 -16.672 -6.687 1.00 17.78 C +ATOM 233 C LEU A 54 24.751 -16.780 -8.105 1.00 18.36 C +ATOM 234 O LEU A 54 25.816 -17.334 -8.323 1.00 23.49 O +ATOM 235 CB LEU A 54 23.318 -17.850 -6.420 1.00 16.46 C +ATOM 236 CG LEU A 54 22.858 -18.137 -4.996 1.00 14.65 C +ATOM 237 CD1 LEU A 54 21.786 -19.217 -5.048 1.00 15.10 C +ATOM 238 CD2 LEU A 54 24.023 -18.574 -4.154 1.00 11.49 C +ATOM 239 N PHE A 55 23.983 -16.277 -9.065 1.00 15.68 N +ATOM 240 CA PHE A 55 24.341 -16.344 -10.489 1.00 12.20 C +ATOM 241 C PHE A 55 25.636 -15.630 -10.765 1.00 15.52 C +ATOM 242 O PHE A 55 26.546 -16.223 -11.342 1.00 17.40 O +ATOM 243 CB PHE A 55 23.223 -15.735 -11.350 1.00 6.10 C +ATOM 244 CG PHE A 55 23.615 -15.454 -12.776 1.00 1.58 C +ATOM 245 CD1 PHE A 55 23.765 -16.477 -13.688 1.00 1.07 C +ATOM 246 CD2 PHE A 55 23.835 -14.171 -13.197 1.00 1.00 C +ATOM 247 CE1 PHE A 55 24.135 -16.221 -14.999 1.00 1.00 C +ATOM 248 CE2 PHE A 55 24.200 -13.901 -14.497 1.00 1.00 C +ATOM 249 CZ PHE A 55 24.351 -14.915 -15.392 1.00 1.77 C +ATOM 250 N TYR A 56 25.697 -14.353 -10.376 1.00 18.18 N +ATOM 251 CA TYR A 56 26.886 -13.515 -10.570 1.00 21.08 C +ATOM 252 C TYR A 56 28.058 -14.009 -9.713 1.00 25.58 C +ATOM 253 O TYR A 56 29.203 -14.065 -10.171 1.00 27.28 O +ATOM 254 CB TYR A 56 26.588 -12.060 -10.211 1.00 19.30 C +ATOM 255 CG TYR A 56 25.665 -11.344 -11.164 1.00 18.72 C +ATOM 256 CD1 TYR A 56 26.036 -11.122 -12.493 1.00 19.77 C +ATOM 257 CD2 TYR A 56 24.418 -10.890 -10.739 1.00 17.69 C +ATOM 258 CE1 TYR A 56 25.187 -10.464 -13.377 1.00 19.76 C +ATOM 259 CE2 TYR A 56 23.566 -10.237 -11.602 1.00 18.54 C +ATOM 260 CZ TYR A 56 23.948 -10.022 -12.923 1.00 21.12 C +ATOM 261 OH TYR A 56 23.089 -9.339 -13.769 1.00 24.19 O +ATOM 262 N LEU A 57 27.760 -14.367 -8.468 1.00 25.21 N +ATOM 263 CA LEU A 57 28.758 -14.877 -7.542 1.00 21.43 C +ATOM 264 C LEU A 57 29.396 -16.144 -8.132 1.00 16.56 C +ATOM 265 O LEU A 57 30.583 -16.399 -7.952 1.00 16.93 O +ATOM 266 CB LEU A 57 28.097 -15.141 -6.188 1.00 21.93 C +ATOM 267 CG LEU A 57 28.991 -15.465 -4.993 1.00 23.25 C +ATOM 268 CD1 LEU A 57 30.098 -14.433 -4.883 1.00 24.87 C +ATOM 269 CD2 LEU A 57 28.163 -15.504 -3.729 1.00 22.07 C +ATOM 270 N GLY A 58 28.606 -16.903 -8.877 1.00 13.03 N +ATOM 271 CA GLY A 58 29.093 -18.105 -9.525 1.00 12.30 C +ATOM 272 C GLY A 58 29.881 -17.738 -10.769 1.00 15.61 C +ATOM 273 O GLY A 58 30.833 -18.418 -11.126 1.00 19.99 O +ATOM 274 N GLN A 59 29.489 -16.659 -11.427 1.00 14.86 N +ATOM 275 CA GLN A 59 30.166 -16.170 -12.622 1.00 16.02 C +ATOM 276 C GLN A 59 31.564 -15.657 -12.285 1.00 17.15 C +ATOM 277 O GLN A 59 32.486 -15.736 -13.091 1.00 20.04 O +ATOM 278 CB GLN A 59 29.368 -15.021 -13.216 1.00 18.21 C +ATOM 279 CG GLN A 59 28.089 -15.453 -13.826 1.00 21.13 C +ATOM 280 CD GLN A 59 28.336 -16.409 -14.942 1.00 23.42 C +ATOM 281 OE1 GLN A 59 28.794 -16.018 -16.008 1.00 26.16 O +ATOM 282 NE2 GLN A 59 28.071 -17.677 -14.700 1.00 24.91 N +ATOM 283 N TYR A 60 31.688 -15.061 -11.114 1.00 15.53 N +ATOM 284 CA TYR A 60 32.947 -14.515 -10.639 1.00 14.57 C +ATOM 285 C TYR A 60 33.933 -15.681 -10.434 1.00 16.46 C +ATOM 286 O TYR A 60 35.049 -15.679 -10.946 1.00 18.96 O +ATOM 287 CB TYR A 60 32.660 -13.784 -9.333 1.00 14.30 C +ATOM 288 CG TYR A 60 33.858 -13.295 -8.591 1.00 15.69 C +ATOM 289 CD1 TYR A 60 34.378 -12.026 -8.831 1.00 15.89 C +ATOM 290 CD2 TYR A 60 34.444 -14.077 -7.591 1.00 16.18 C +ATOM 291 CE1 TYR A 60 35.444 -11.550 -8.088 1.00 15.25 C +ATOM 292 CE2 TYR A 60 35.505 -13.607 -6.848 1.00 15.93 C +ATOM 293 CZ TYR A 60 35.996 -12.344 -7.101 1.00 16.11 C +ATOM 294 OH TYR A 60 37.017 -11.854 -6.336 1.00 18.25 O +ATOM 295 N ILE A 61 33.478 -16.702 -9.727 1.00 15.26 N +ATOM 296 CA ILE A 61 34.274 -17.877 -9.450 1.00 13.48 C +ATOM 297 C ILE A 61 34.684 -18.570 -10.724 1.00 16.31 C +ATOM 298 O ILE A 61 35.862 -18.831 -10.943 1.00 18.13 O +ATOM 299 CB ILE A 61 33.497 -18.858 -8.544 1.00 12.76 C +ATOM 300 CG1 ILE A 61 33.109 -18.151 -7.243 1.00 11.76 C +ATOM 301 CG2 ILE A 61 34.337 -20.069 -8.235 1.00 13.49 C +ATOM 302 CD1 ILE A 61 32.359 -19.041 -6.269 1.00 13.72 C +ATOM 303 N MET A 62 33.721 -18.882 -11.572 1.00 21.25 N +ATOM 304 CA MET A 62 34.048 -19.563 -12.815 1.00 26.19 C +ATOM 305 C MET A 62 35.038 -18.750 -13.618 1.00 26.57 C +ATOM 306 O MET A 62 36.084 -19.245 -14.022 1.00 27.73 O +ATOM 307 CB MET A 62 32.801 -19.801 -13.656 1.00 32.22 C +ATOM 308 CG MET A 62 32.041 -21.059 -13.299 1.00 40.65 C +ATOM 309 SD MET A 62 30.444 -21.159 -14.164 1.00 48.52 S +ATOM 310 CE MET A 62 29.206 -21.058 -12.752 1.00 48.60 C +ATOM 311 N THR A 63 34.719 -17.482 -13.804 1.00 26.49 N +ATOM 312 CA THR A 63 35.548 -16.577 -14.580 1.00 27.67 C +ATOM 313 C THR A 63 37.002 -16.428 -14.136 1.00 24.94 C +ATOM 314 O THR A 63 37.910 -16.429 -14.972 1.00 26.27 O +ATOM 315 CB THR A 63 34.862 -15.234 -14.662 1.00 32.91 C +ATOM 316 OG1 THR A 63 33.709 -15.368 -15.505 1.00 36.10 O +ATOM 317 CG2 THR A 63 35.789 -14.178 -15.199 1.00 36.18 C +ATOM 318 N LYS A 64 37.218 -16.302 -12.829 1.00 20.57 N +ATOM 319 CA LYS A 64 38.555 -16.168 -12.265 1.00 16.27 C +ATOM 320 C LYS A 64 39.105 -17.538 -11.869 1.00 17.22 C +ATOM 321 O LYS A 64 39.920 -17.652 -10.968 1.00 20.18 O +ATOM 322 CB LYS A 64 38.495 -15.265 -11.039 1.00 16.24 C +ATOM 323 CG LYS A 64 38.056 -13.868 -11.370 1.00 19.29 C +ATOM 324 CD LYS A 64 38.081 -12.988 -10.149 1.00 22.86 C +ATOM 325 CE LYS A 64 39.487 -12.826 -9.614 1.00 26.64 C +ATOM 326 NZ LYS A 64 39.479 -11.939 -8.409 1.00 29.52 N +ATOM 327 N ARG A 65 38.631 -18.575 -12.545 1.00 17.49 N +ATOM 328 CA ARG A 65 38.997 -19.964 -12.295 1.00 14.49 C +ATOM 329 C ARG A 65 39.410 -20.287 -10.874 1.00 14.03 C +ATOM 330 O ARG A 65 40.351 -21.044 -10.665 1.00 17.94 O +ATOM 331 CB ARG A 65 40.070 -20.431 -13.261 1.00 14.75 C +ATOM 332 CG ARG A 65 39.838 -20.028 -14.703 1.00 17.60 C +ATOM 333 CD ARG A 65 40.309 -21.126 -15.650 1.00 22.61 C +ATOM 334 NE ARG A 65 41.729 -21.456 -15.510 1.00 28.14 N +ATOM 335 CZ ARG A 65 42.190 -22.697 -15.392 1.00 34.90 C +ATOM 336 NH1 ARG A 65 41.349 -23.723 -15.395 1.00 38.13 N +ATOM 337 NH2 ARG A 65 43.493 -22.920 -15.289 1.00 38.07 N +ATOM 338 N LEU A 66 38.652 -19.796 -9.898 1.00 10.97 N +ATOM 339 CA LEU A 66 38.983 -20.045 -8.498 1.00 9.06 C +ATOM 340 C LEU A 66 38.692 -21.446 -7.968 1.00 9.71 C +ATOM 341 O LEU A 66 38.925 -21.724 -6.780 1.00 13.68 O +ATOM 342 CB LEU A 66 38.297 -19.034 -7.589 1.00 7.18 C +ATOM 343 CG LEU A 66 38.524 -17.554 -7.819 1.00 6.89 C +ATOM 344 CD1 LEU A 66 37.780 -16.767 -6.748 1.00 5.18 C +ATOM 345 CD2 LEU A 66 40.002 -17.272 -7.753 1.00 8.57 C +ATOM 346 N TYR A 67 38.179 -22.331 -8.806 1.00 8.57 N +ATOM 347 CA TYR A 67 37.861 -23.681 -8.338 1.00 12.51 C +ATOM 348 C TYR A 67 39.016 -24.624 -8.635 1.00 16.43 C +ATOM 349 O TYR A 67 39.865 -24.328 -9.477 1.00 19.05 O +ATOM 350 CB TYR A 67 36.567 -24.197 -8.995 1.00 11.42 C +ATOM 351 CG TYR A 67 36.529 -23.987 -10.501 1.00 15.91 C +ATOM 352 CD1 TYR A 67 37.095 -24.922 -11.377 1.00 18.44 C +ATOM 353 CD2 TYR A 67 35.967 -22.837 -11.052 1.00 17.76 C +ATOM 354 CE1 TYR A 67 37.102 -24.717 -12.744 1.00 17.83 C +ATOM 355 CE2 TYR A 67 35.975 -22.623 -12.422 1.00 19.57 C +ATOM 356 CZ TYR A 67 36.544 -23.567 -13.259 1.00 20.81 C +ATOM 357 OH TYR A 67 36.557 -23.357 -14.625 1.00 26.44 O +ATOM 358 N ASP A 68 39.070 -25.746 -7.926 1.00 16.73 N +ATOM 359 CA ASP A 68 40.119 -26.715 -8.163 1.00 19.56 C +ATOM 360 C ASP A 68 39.798 -27.404 -9.468 1.00 24.40 C +ATOM 361 O ASP A 68 38.656 -27.763 -9.727 1.00 28.26 O +ATOM 362 CB ASP A 68 40.187 -27.747 -7.054 1.00 19.74 C +ATOM 363 CG ASP A 68 41.407 -28.627 -7.173 1.00 19.84 C +ATOM 364 OD1 ASP A 68 42.476 -28.209 -6.693 1.00 22.77 O +ATOM 365 OD2 ASP A 68 41.311 -29.715 -7.763 1.00 19.07 O +ATOM 366 N GLU A 69 40.820 -27.662 -10.259 1.00 26.47 N +ATOM 367 CA GLU A 69 40.616 -28.281 -11.551 1.00 26.24 C +ATOM 368 C GLU A 69 40.161 -29.725 -11.510 1.00 27.23 C +ATOM 369 O GLU A 69 39.405 -30.182 -12.373 1.00 26.72 O +ATOM 370 CB GLU A 69 41.887 -28.180 -12.355 1.00 27.13 C +ATOM 371 CG GLU A 69 41.645 -28.315 -13.830 1.00 29.09 C +ATOM 372 CD GLU A 69 41.219 -27.024 -14.466 1.00 30.90 C +ATOM 373 OE1 GLU A 69 41.178 -25.975 -13.769 1.00 30.71 O +ATOM 374 OE2 GLU A 69 40.941 -27.076 -15.679 1.00 33.03 O +ATOM 375 N LYS A 70 40.657 -30.461 -10.529 1.00 30.01 N +ATOM 376 CA LYS A 70 40.297 -31.861 -10.402 1.00 34.47 C +ATOM 377 C LYS A 70 39.040 -32.074 -9.557 1.00 34.65 C +ATOM 378 O LYS A 70 38.120 -32.769 -9.971 1.00 38.08 O +ATOM 379 CB LYS A 70 41.490 -32.678 -9.875 1.00 40.08 C +ATOM 380 CG LYS A 70 42.609 -32.959 -10.934 1.00 45.97 C +ATOM 381 CD LYS A 70 43.362 -31.687 -11.431 1.00 50.20 C +ATOM 382 CE LYS A 70 44.171 -30.995 -10.309 1.00 53.12 C +ATOM 383 NZ LYS A 70 44.770 -29.677 -10.699 1.00 54.32 N +ATOM 384 N GLN A 71 39.005 -31.485 -8.371 1.00 30.70 N +ATOM 385 CA GLN A 71 37.857 -31.604 -7.484 1.00 27.30 C +ATOM 386 C GLN A 71 37.161 -30.259 -7.563 1.00 21.02 C +ATOM 387 O GLN A 71 37.289 -29.436 -6.666 1.00 18.60 O +ATOM 388 CB GLN A 71 38.352 -31.883 -6.068 1.00 32.17 C +ATOM 389 CG GLN A 71 38.983 -33.246 -5.920 1.00 37.01 C +ATOM 390 CD GLN A 71 37.950 -34.357 -5.964 1.00 43.82 C +ATOM 391 OE1 GLN A 71 37.068 -34.430 -5.110 1.00 47.96 O +ATOM 392 NE2 GLN A 71 38.040 -35.215 -6.968 1.00 44.79 N +ATOM 393 N GLN A 72 36.399 -30.056 -8.633 1.00 20.30 N +ATOM 394 CA GLN A 72 35.719 -28.784 -8.896 1.00 16.73 C +ATOM 395 C GLN A 72 34.859 -28.192 -7.812 1.00 15.22 C +ATOM 396 O GLN A 72 34.446 -27.045 -7.919 1.00 17.63 O +ATOM 397 CB GLN A 72 34.930 -28.851 -10.190 1.00 16.67 C +ATOM 398 CG GLN A 72 35.723 -29.443 -11.328 1.00 19.27 C +ATOM 399 CD GLN A 72 35.798 -28.544 -12.540 1.00 22.33 C +ATOM 400 OE1 GLN A 72 34.920 -27.711 -12.792 1.00 22.68 O +ATOM 401 NE2 GLN A 72 36.844 -28.726 -13.323 1.00 25.00 N +ATOM 402 N HIS A 73 34.592 -28.958 -6.763 1.00 14.02 N +ATOM 403 CA HIS A 73 33.791 -28.456 -5.652 1.00 13.96 C +ATOM 404 C HIS A 73 34.620 -27.629 -4.661 1.00 15.64 C +ATOM 405 O HIS A 73 34.056 -27.010 -3.742 1.00 17.41 O +ATOM 406 CB HIS A 73 33.074 -29.604 -4.931 1.00 14.80 C +ATOM 407 CG HIS A 73 33.991 -30.572 -4.261 1.00 16.64 C +ATOM 408 ND1 HIS A 73 34.318 -30.488 -2.924 1.00 18.85 N +ATOM 409 CD2 HIS A 73 34.639 -31.664 -4.736 1.00 15.41 C +ATOM 410 CE1 HIS A 73 35.124 -31.485 -2.604 1.00 16.68 C +ATOM 411 NE2 HIS A 73 35.335 -32.212 -3.686 1.00 15.48 N +ATOM 412 N ILE A 74 35.950 -27.646 -4.831 1.00 12.87 N +ATOM 413 CA ILE A 74 36.865 -26.894 -3.970 1.00 9.08 C +ATOM 414 C ILE A 74 37.119 -25.524 -4.577 1.00 5.48 C +ATOM 415 O ILE A 74 37.492 -25.418 -5.727 1.00 8.13 O +ATOM 416 CB ILE A 74 38.243 -27.630 -3.779 1.00 12.08 C +ATOM 417 CG1 ILE A 74 38.039 -29.024 -3.161 1.00 11.72 C +ATOM 418 CG2 ILE A 74 39.174 -26.832 -2.801 1.00 10.17 C +ATOM 419 CD1 ILE A 74 37.636 -28.963 -1.719 1.00 10.84 C +ATOM 420 N VAL A 75 36.889 -24.475 -3.812 1.00 2.49 N +ATOM 421 CA VAL A 75 37.130 -23.129 -4.293 1.00 4.31 C +ATOM 422 C VAL A 75 38.140 -22.513 -3.333 1.00 9.01 C +ATOM 423 O VAL A 75 38.054 -22.707 -2.115 1.00 10.49 O +ATOM 424 CB VAL A 75 35.840 -22.317 -4.362 1.00 3.43 C +ATOM 425 CG1 VAL A 75 36.107 -20.894 -4.774 1.00 1.00 C +ATOM 426 CG2 VAL A 75 34.913 -22.964 -5.355 1.00 4.30 C +ATOM 427 N TYR A 76 39.133 -21.847 -3.916 1.00 10.57 N +ATOM 428 CA TYR A 76 40.251 -21.237 -3.201 1.00 9.82 C +ATOM 429 C TYR A 76 40.091 -19.749 -3.237 1.00 13.54 C +ATOM 430 O TYR A 76 40.024 -19.179 -4.315 1.00 17.59 O +ATOM 431 CB TYR A 76 41.537 -21.582 -3.943 1.00 6.09 C +ATOM 432 CG TYR A 76 41.844 -23.073 -4.072 1.00 2.63 C +ATOM 433 CD1 TYR A 76 42.331 -23.796 -2.995 1.00 1.00 C +ATOM 434 CD2 TYR A 76 41.733 -23.719 -5.294 1.00 1.49 C +ATOM 435 CE1 TYR A 76 42.714 -25.101 -3.136 1.00 1.00 C +ATOM 436 CE2 TYR A 76 42.105 -25.032 -5.437 1.00 1.00 C +ATOM 437 CZ TYR A 76 42.600 -25.715 -4.354 1.00 1.93 C +ATOM 438 OH TYR A 76 43.024 -27.023 -4.493 1.00 5.30 O +ATOM 439 N CYS A 77 40.135 -19.090 -2.089 1.00 15.15 N +ATOM 440 CA CYS A 77 39.927 -17.653 -2.094 1.00 17.24 C +ATOM 441 C CYS A 77 40.798 -16.855 -1.166 1.00 19.10 C +ATOM 442 O CYS A 77 40.527 -15.676 -0.938 1.00 15.49 O +ATOM 443 CB CYS A 77 38.449 -17.351 -1.822 1.00 18.53 C +ATOM 444 SG CYS A 77 37.662 -18.378 -0.536 1.00 18.57 S +ATOM 445 N SER A 78 41.895 -17.469 -0.730 1.00 26.56 N +ATOM 446 CA SER A 78 42.874 -16.862 0.185 1.00 33.89 C +ATOM 447 C SER A 78 43.454 -15.587 -0.381 1.00 38.51 C +ATOM 448 O SER A 78 43.584 -14.563 0.294 1.00 42.17 O +ATOM 449 CB SER A 78 44.009 -17.847 0.444 1.00 34.90 C +ATOM 450 OG SER A 78 44.316 -18.547 -0.754 1.00 37.68 O +ATOM 451 N ASN A 79 43.779 -15.664 -1.653 1.00 39.64 N +ATOM 452 CA ASN A 79 44.366 -14.559 -2.394 1.00 43.62 C +ATOM 453 C ASN A 79 43.268 -13.694 -2.983 1.00 40.29 C +ATOM 454 O ASN A 79 43.551 -12.851 -3.836 1.00 39.90 O +ATOM 455 CB ASN A 79 45.102 -15.171 -3.579 1.00 49.71 C +ATOM 456 CG ASN A 79 44.178 -16.081 -4.420 1.00 53.95 C +ATOM 457 OD1 ASN A 79 43.807 -17.195 -3.989 1.00 55.43 O +ATOM 458 ND2 ASN A 79 43.749 -15.579 -5.581 1.00 54.43 N +ATOM 459 N ASP A 80 42.035 -13.869 -2.512 1.00 36.87 N +ATOM 460 CA ASP A 80 40.908 -13.190 -3.130 1.00 29.52 C +ATOM 461 C ASP A 80 39.959 -12.435 -2.231 1.00 27.60 C +ATOM 462 O ASP A 80 39.762 -12.820 -1.095 1.00 26.69 O +ATOM 463 CB ASP A 80 40.117 -14.258 -3.882 1.00 25.03 C +ATOM 464 CG ASP A 80 39.365 -13.714 -5.050 1.00 22.21 C +ATOM 465 OD1 ASP A 80 40.031 -13.307 -6.019 1.00 22.42 O +ATOM 466 OD2 ASP A 80 38.113 -13.724 -5.006 1.00 20.56 O +ATOM 467 N LEU A 81 39.310 -11.414 -2.804 1.00 28.92 N +ATOM 468 CA LEU A 81 38.294 -10.583 -2.133 1.00 30.59 C +ATOM 469 C LEU A 81 37.167 -11.478 -1.609 1.00 27.06 C +ATOM 470 O LEU A 81 36.514 -11.165 -0.620 1.00 27.06 O +ATOM 471 CB LEU A 81 37.703 -9.566 -3.128 1.00 37.34 C +ATOM 472 CG LEU A 81 36.292 -8.950 -2.964 1.00 42.99 C +ATOM 473 CD1 LEU A 81 36.205 -7.965 -1.782 1.00 44.45 C +ATOM 474 CD2 LEU A 81 35.909 -8.232 -4.262 1.00 43.58 C +ATOM 475 N LEU A 82 36.928 -12.576 -2.314 1.00 23.26 N +ATOM 476 CA LEU A 82 35.923 -13.537 -1.940 1.00 18.87 C +ATOM 477 C LEU A 82 36.295 -14.064 -0.568 1.00 20.31 C +ATOM 478 O LEU A 82 35.435 -14.279 0.266 1.00 22.63 O +ATOM 479 CB LEU A 82 35.927 -14.665 -2.956 1.00 18.68 C +ATOM 480 CG LEU A 82 34.818 -15.699 -2.920 1.00 16.28 C +ATOM 481 CD1 LEU A 82 33.477 -14.974 -2.843 1.00 17.88 C +ATOM 482 CD2 LEU A 82 34.923 -16.545 -4.168 1.00 11.40 C +ATOM 483 N GLY A 83 37.587 -14.250 -0.331 1.00 21.34 N +ATOM 484 CA GLY A 83 38.059 -14.747 0.954 1.00 19.72 C +ATOM 485 C GLY A 83 37.901 -13.695 2.031 1.00 22.61 C +ATOM 486 O GLY A 83 37.665 -14.045 3.183 1.00 25.72 O +ATOM 487 N ASP A 84 38.074 -12.416 1.681 1.00 24.08 N +ATOM 488 CA ASP A 84 37.917 -11.315 2.639 1.00 27.82 C +ATOM 489 C ASP A 84 36.469 -11.369 3.053 1.00 32.42 C +ATOM 490 O ASP A 84 36.142 -11.324 4.234 1.00 36.61 O +ATOM 491 CB ASP A 84 38.150 -9.953 1.978 1.00 31.47 C +ATOM 492 CG ASP A 84 39.600 -9.712 1.592 1.00 35.83 C +ATOM 493 OD1 ASP A 84 40.356 -10.688 1.379 1.00 38.48 O +ATOM 494 OD2 ASP A 84 39.984 -8.528 1.482 1.00 36.32 O +ATOM 495 N LEU A 85 35.621 -11.493 2.035 1.00 33.28 N +ATOM 496 CA LEU A 85 34.172 -11.582 2.136 1.00 31.28 C +ATOM 497 C LEU A 85 33.722 -12.742 3.012 1.00 28.59 C +ATOM 498 O LEU A 85 33.153 -12.529 4.074 1.00 32.02 O +ATOM 499 CB LEU A 85 33.599 -11.783 0.736 1.00 32.23 C +ATOM 500 CG LEU A 85 32.135 -11.469 0.508 1.00 33.98 C +ATOM 501 CD1 LEU A 85 32.041 -9.998 0.291 1.00 34.37 C +ATOM 502 CD2 LEU A 85 31.618 -12.202 -0.714 1.00 34.90 C +ATOM 503 N PHE A 86 33.970 -13.968 2.563 1.00 24.06 N +ATOM 504 CA PHE A 86 33.565 -15.157 3.314 1.00 22.65 C +ATOM 505 C PHE A 86 34.372 -15.379 4.573 1.00 20.98 C +ATOM 506 O PHE A 86 33.963 -16.148 5.432 1.00 21.83 O +ATOM 507 CB PHE A 86 33.643 -16.418 2.440 1.00 23.60 C +ATOM 508 CG PHE A 86 32.600 -16.475 1.346 1.00 25.25 C +ATOM 509 CD1 PHE A 86 31.609 -15.496 1.245 1.00 26.07 C +ATOM 510 CD2 PHE A 86 32.587 -17.519 0.439 1.00 26.99 C +ATOM 511 CE1 PHE A 86 30.628 -15.561 0.261 1.00 26.66 C +ATOM 512 CE2 PHE A 86 31.605 -17.596 -0.552 1.00 27.82 C +ATOM 513 CZ PHE A 86 30.627 -16.614 -0.638 1.00 28.09 C +ATOM 514 N GLY A 87 35.528 -14.727 4.660 1.00 20.07 N +ATOM 515 CA GLY A 87 36.406 -14.864 5.809 1.00 19.32 C +ATOM 516 C GLY A 87 37.016 -16.250 5.963 1.00 20.03 C +ATOM 517 O GLY A 87 37.169 -16.739 7.091 1.00 20.31 O +ATOM 518 N VAL A 88 37.337 -16.909 4.848 1.00 19.28 N +ATOM 519 CA VAL A 88 37.939 -18.256 4.889 1.00 18.20 C +ATOM 520 C VAL A 88 38.922 -18.424 3.734 1.00 19.23 C +ATOM 521 O VAL A 88 38.795 -17.764 2.700 1.00 22.03 O +ATOM 522 CB VAL A 88 36.879 -19.420 4.797 1.00 16.54 C +ATOM 523 CG1 VAL A 88 36.041 -19.490 6.046 1.00 13.24 C +ATOM 524 CG2 VAL A 88 36.008 -19.285 3.534 1.00 16.74 C +ATOM 525 N PRO A 89 39.936 -19.292 3.910 1.00 17.26 N +ATOM 526 CA PRO A 89 40.940 -19.547 2.873 1.00 15.01 C +ATOM 527 C PRO A 89 40.341 -20.305 1.690 1.00 16.26 C +ATOM 528 O PRO A 89 40.595 -19.957 0.536 1.00 20.02 O +ATOM 529 CB PRO A 89 41.987 -20.374 3.615 1.00 14.47 C +ATOM 530 CG PRO A 89 41.193 -21.108 4.634 1.00 14.57 C +ATOM 531 CD PRO A 89 40.272 -20.026 5.142 1.00 16.66 C +ATOM 532 N SER A 90 39.537 -21.327 1.968 1.00 14.88 N +ATOM 533 CA SER A 90 38.893 -22.107 0.918 1.00 15.30 C +ATOM 534 C SER A 90 37.525 -22.660 1.386 1.00 17.77 C +ATOM 535 O SER A 90 37.172 -22.532 2.562 1.00 17.21 O +ATOM 536 CB SER A 90 39.825 -23.238 0.476 1.00 13.07 C +ATOM 537 OG SER A 90 40.003 -24.201 1.499 1.00 10.50 O +ATOM 538 N PHE A 91 36.747 -23.242 0.471 1.00 17.71 N +ATOM 539 CA PHE A 91 35.443 -23.810 0.832 1.00 13.01 C +ATOM 540 C PHE A 91 34.952 -24.861 -0.174 1.00 13.62 C +ATOM 541 O PHE A 91 35.483 -24.952 -1.278 1.00 14.61 O +ATOM 542 CB PHE A 91 34.398 -22.696 1.069 1.00 9.68 C +ATOM 543 CG PHE A 91 34.044 -21.860 -0.158 1.00 5.81 C +ATOM 544 CD1 PHE A 91 33.094 -22.293 -1.067 1.00 6.55 C +ATOM 545 CD2 PHE A 91 34.579 -20.596 -0.338 1.00 5.77 C +ATOM 546 CE1 PHE A 91 32.671 -21.477 -2.129 1.00 5.62 C +ATOM 547 CE2 PHE A 91 34.164 -19.782 -1.392 1.00 5.00 C +ATOM 548 CZ PHE A 91 33.209 -20.230 -2.280 1.00 6.43 C +ATOM 549 N SER A 92 34.014 -25.714 0.241 1.00 13.98 N +ATOM 550 CA SER A 92 33.450 -26.746 -0.627 1.00 12.99 C +ATOM 551 C SER A 92 32.038 -26.359 -0.998 1.00 14.71 C +ATOM 552 O SER A 92 31.181 -26.253 -0.122 1.00 15.05 O +ATOM 553 CB SER A 92 33.399 -28.074 0.099 1.00 15.88 C +ATOM 554 OG SER A 92 32.677 -29.051 -0.652 1.00 19.78 O +ATOM 555 N VAL A 93 31.773 -26.173 -2.288 1.00 17.37 N +ATOM 556 CA VAL A 93 30.426 -25.784 -2.700 1.00 18.30 C +ATOM 557 C VAL A 93 29.429 -26.853 -2.295 1.00 20.89 C +ATOM 558 O VAL A 93 28.225 -26.606 -2.273 1.00 25.39 O +ATOM 559 CB VAL A 93 30.275 -25.513 -4.223 1.00 15.03 C +ATOM 560 CG1 VAL A 93 31.333 -24.544 -4.718 1.00 16.89 C +ATOM 561 CG2 VAL A 93 30.274 -26.792 -4.990 1.00 12.62 C +ATOM 562 N LYS A 94 29.934 -28.030 -1.951 1.00 16.49 N +ATOM 563 CA LYS A 94 29.078 -29.107 -1.549 1.00 15.72 C +ATOM 564 C LYS A 94 28.532 -28.949 -0.138 1.00 19.47 C +ATOM 565 O LYS A 94 27.718 -29.751 0.296 1.00 21.41 O +ATOM 566 CB LYS A 94 29.817 -30.419 -1.646 1.00 17.53 C +ATOM 567 CG LYS A 94 30.080 -30.892 -3.033 1.00 19.31 C +ATOM 568 CD LYS A 94 30.722 -32.253 -2.946 1.00 23.17 C +ATOM 569 CE LYS A 94 30.952 -32.844 -4.316 1.00 28.08 C +ATOM 570 NZ LYS A 94 31.566 -34.209 -4.222 1.00 30.82 N +ATOM 571 N GLU A 95 28.985 -27.954 0.609 1.00 22.29 N +ATOM 572 CA GLU A 95 28.477 -27.767 1.956 1.00 23.82 C +ATOM 573 C GLU A 95 27.485 -26.624 1.876 1.00 22.81 C +ATOM 574 O GLU A 95 27.821 -25.478 2.202 1.00 22.39 O +ATOM 575 CB GLU A 95 29.601 -27.367 2.890 1.00 31.07 C +ATOM 576 CG GLU A 95 30.820 -28.239 2.853 1.00 37.59 C +ATOM 577 CD GLU A 95 31.989 -27.593 3.595 1.00 43.46 C +ATOM 578 OE1 GLU A 95 32.296 -26.392 3.349 1.00 43.63 O +ATOM 579 OE2 GLU A 95 32.599 -28.297 4.429 1.00 46.58 O +ATOM 580 N HIS A 96 26.252 -26.947 1.488 1.00 21.86 N +ATOM 581 CA HIS A 96 25.184 -25.952 1.309 1.00 18.69 C +ATOM 582 C HIS A 96 24.900 -25.057 2.510 1.00 18.22 C +ATOM 583 O HIS A 96 24.782 -23.842 2.369 1.00 18.94 O +ATOM 584 CB HIS A 96 23.890 -26.617 0.839 1.00 17.58 C +ATOM 585 CG HIS A 96 24.017 -27.365 -0.457 1.00 16.90 C +ATOM 586 ND1 HIS A 96 24.923 -27.019 -1.434 1.00 15.62 N +ATOM 587 CD2 HIS A 96 23.371 -28.460 -0.919 1.00 18.23 C +ATOM 588 CE1 HIS A 96 24.839 -27.875 -2.440 1.00 16.07 C +ATOM 589 NE2 HIS A 96 23.904 -28.759 -2.151 1.00 17.70 N +ATOM 590 N ARG A 97 24.798 -25.638 3.694 1.00 17.37 N +ATOM 591 CA ARG A 97 24.525 -24.832 4.873 1.00 15.09 C +ATOM 592 C ARG A 97 25.645 -23.820 5.118 1.00 16.62 C +ATOM 593 O ARG A 97 25.395 -22.678 5.494 1.00 16.57 O +ATOM 594 CB ARG A 97 24.314 -25.730 6.093 1.00 12.02 C +ATOM 595 CG ARG A 97 23.811 -24.994 7.323 1.00 11.33 C +ATOM 596 CD ARG A 97 23.642 -25.948 8.472 1.00 12.38 C +ATOM 597 NE ARG A 97 22.697 -27.032 8.216 1.00 15.31 N +ATOM 598 CZ ARG A 97 21.422 -27.040 8.630 1.00 17.96 C +ATOM 599 NH1 ARG A 97 20.921 -26.012 9.312 1.00 15.89 N +ATOM 600 NH2 ARG A 97 20.666 -28.118 8.441 1.00 18.19 N +ATOM 601 N LYS A 98 26.883 -24.219 4.861 1.00 19.25 N +ATOM 602 CA LYS A 98 27.998 -23.312 5.072 1.00 20.50 C +ATOM 603 C LYS A 98 27.983 -22.184 4.079 1.00 18.09 C +ATOM 604 O LYS A 98 28.003 -21.023 4.478 1.00 20.14 O +ATOM 605 CB LYS A 98 29.324 -24.039 4.974 1.00 27.06 C +ATOM 606 CG LYS A 98 29.808 -24.623 6.264 1.00 33.25 C +ATOM 607 CD LYS A 98 31.240 -25.071 6.082 1.00 39.81 C +ATOM 608 CE LYS A 98 32.090 -23.947 5.472 1.00 44.47 C +ATOM 609 NZ LYS A 98 32.296 -22.815 6.427 1.00 47.34 N +ATOM 610 N ILE A 99 27.949 -22.524 2.788 1.00 15.40 N +ATOM 611 CA ILE A 99 27.938 -21.523 1.717 1.00 15.01 C +ATOM 612 C ILE A 99 26.802 -20.529 1.923 1.00 17.44 C +ATOM 613 O ILE A 99 27.014 -19.307 1.926 1.00 18.10 O +ATOM 614 CB ILE A 99 27.728 -22.153 0.328 1.00 15.52 C +ATOM 615 CG1 ILE A 99 28.645 -23.348 0.118 1.00 16.84 C +ATOM 616 CG2 ILE A 99 28.032 -21.138 -0.728 1.00 16.45 C +ATOM 617 CD1 ILE A 99 30.108 -22.999 0.168 1.00 18.50 C +ATOM 618 N TYR A 100 25.598 -21.070 2.126 1.00 19.20 N +ATOM 619 CA TYR A 100 24.403 -20.267 2.326 1.00 18.81 C +ATOM 620 C TYR A 100 24.547 -19.345 3.510 1.00 16.22 C +ATOM 621 O TYR A 100 24.117 -18.185 3.454 1.00 19.82 O +ATOM 622 CB TYR A 100 23.190 -21.153 2.496 1.00 24.97 C +ATOM 623 CG TYR A 100 21.898 -20.417 2.284 1.00 30.83 C +ATOM 624 CD1 TYR A 100 21.482 -20.044 1.004 1.00 31.83 C +ATOM 625 CD2 TYR A 100 21.095 -20.079 3.366 1.00 35.02 C +ATOM 626 CE1 TYR A 100 20.306 -19.348 0.814 1.00 34.30 C +ATOM 627 CE2 TYR A 100 19.917 -19.384 3.192 1.00 37.14 C +ATOM 628 CZ TYR A 100 19.526 -19.019 1.921 1.00 38.42 C +ATOM 629 OH TYR A 100 18.367 -18.281 1.803 1.00 42.34 O +ATOM 630 N THR A 101 25.186 -19.830 4.566 1.00 11.06 N +ATOM 631 CA THR A 101 25.388 -18.998 5.738 1.00 13.10 C +ATOM 632 C THR A 101 26.369 -17.858 5.493 1.00 11.97 C +ATOM 633 O THR A 101 26.133 -16.706 5.874 1.00 11.20 O +ATOM 634 CB THR A 101 25.880 -19.837 6.946 1.00 19.30 C +ATOM 635 OG1 THR A 101 24.880 -20.809 7.296 1.00 23.86 O +ATOM 636 CG2 THR A 101 26.154 -18.938 8.162 1.00 18.32 C +ATOM 637 N MET A 102 27.494 -18.180 4.873 1.00 13.67 N +ATOM 638 CA MET A 102 28.506 -17.169 4.622 1.00 14.03 C +ATOM 639 C MET A 102 27.932 -16.089 3.752 1.00 13.43 C +ATOM 640 O MET A 102 28.082 -14.910 4.059 1.00 13.36 O +ATOM 641 CB MET A 102 29.748 -17.787 3.990 1.00 15.52 C +ATOM 642 CG MET A 102 30.469 -18.757 4.907 1.00 16.74 C +ATOM 643 SD MET A 102 32.005 -19.317 4.198 1.00 19.43 S +ATOM 644 CE MET A 102 31.533 -20.724 3.326 1.00 17.64 C +ATOM 645 N ILE A 103 27.232 -16.506 2.697 1.00 15.07 N +ATOM 646 CA ILE A 103 26.593 -15.577 1.774 1.00 17.58 C +ATOM 647 C ILE A 103 25.575 -14.690 2.508 1.00 20.37 C +ATOM 648 O ILE A 103 25.527 -13.486 2.277 1.00 18.95 O +ATOM 649 CB ILE A 103 25.883 -16.321 0.634 1.00 17.88 C +ATOM 650 CG1 ILE A 103 26.896 -17.111 -0.193 1.00 17.49 C +ATOM 651 CG2 ILE A 103 25.152 -15.335 -0.267 1.00 17.47 C +ATOM 652 CD1 ILE A 103 26.266 -17.985 -1.286 1.00 15.46 C +ATOM 653 N TYR A 104 24.791 -15.269 3.417 1.00 26.57 N +ATOM 654 CA TYR A 104 23.812 -14.487 4.168 1.00 30.90 C +ATOM 655 C TYR A 104 24.384 -13.445 5.095 1.00 31.73 C +ATOM 656 O TYR A 104 23.786 -12.399 5.278 1.00 31.18 O +ATOM 657 CB TYR A 104 22.841 -15.375 4.922 1.00 36.22 C +ATOM 658 CG TYR A 104 21.502 -15.350 4.254 1.00 43.21 C +ATOM 659 CD1 TYR A 104 21.219 -16.222 3.208 1.00 46.10 C +ATOM 660 CD2 TYR A 104 20.546 -14.381 4.591 1.00 47.20 C +ATOM 661 CE1 TYR A 104 20.031 -16.134 2.505 1.00 49.00 C +ATOM 662 CE2 TYR A 104 19.338 -14.286 3.885 1.00 50.18 C +ATOM 663 CZ TYR A 104 19.091 -15.175 2.840 1.00 51.57 C +ATOM 664 OH TYR A 104 17.904 -15.133 2.138 1.00 53.78 O +ATOM 665 N ARG A 105 25.558 -13.712 5.652 1.00 35.53 N +ATOM 666 CA ARG A 105 26.227 -12.764 6.549 1.00 34.37 C +ATOM 667 C ARG A 105 26.539 -11.468 5.814 1.00 30.61 C +ATOM 668 O ARG A 105 26.762 -10.429 6.439 1.00 32.92 O +ATOM 669 CB ARG A 105 27.538 -13.365 7.096 1.00 38.15 C +ATOM 670 CG ARG A 105 27.350 -14.668 7.876 1.00 43.81 C +ATOM 671 CD ARG A 105 28.516 -14.975 8.808 1.00 49.18 C +ATOM 672 NE ARG A 105 29.578 -15.760 8.174 1.00 54.51 N +ATOM 673 CZ ARG A 105 30.684 -15.253 7.623 1.00 57.35 C +ATOM 674 NH1 ARG A 105 30.904 -13.938 7.603 1.00 58.70 N +ATOM 675 NH2 ARG A 105 31.589 -16.072 7.106 1.00 57.31 N +ATOM 676 N ASN A 106 26.546 -11.532 4.487 1.00 27.25 N +ATOM 677 CA ASN A 106 26.864 -10.377 3.657 1.00 27.34 C +ATOM 678 C ASN A 106 25.679 -9.699 3.022 1.00 27.34 C +ATOM 679 O ASN A 106 25.842 -8.848 2.149 1.00 25.54 O +ATOM 680 CB ASN A 106 27.853 -10.770 2.563 1.00 30.39 C +ATOM 681 CG ASN A 106 29.258 -10.946 3.091 1.00 30.78 C +ATOM 682 OD1 ASN A 106 29.664 -12.058 3.420 1.00 31.77 O +ATOM 683 ND2 ASN A 106 30.002 -9.839 3.207 1.00 28.54 N +ATOM 684 N LEU A 107 24.487 -10.065 3.465 1.00 29.67 N +ATOM 685 CA LEU A 107 23.276 -9.482 2.929 1.00 28.94 C +ATOM 686 C LEU A 107 22.467 -8.866 4.044 1.00 30.37 C +ATOM 687 O LEU A 107 22.684 -9.133 5.225 1.00 29.22 O +ATOM 688 CB LEU A 107 22.390 -10.558 2.300 1.00 25.42 C +ATOM 689 CG LEU A 107 22.846 -11.433 1.151 1.00 22.75 C +ATOM 690 CD1 LEU A 107 21.897 -12.599 1.086 1.00 23.42 C +ATOM 691 CD2 LEU A 107 22.903 -10.680 -0.153 1.00 20.95 C +ATOM 692 N VAL A 108 21.459 -8.118 3.631 1.00 32.60 N +ATOM 693 CA VAL A 108 20.518 -7.502 4.535 1.00 34.59 C +ATOM 694 C VAL A 108 19.180 -7.624 3.820 1.00 34.90 C +ATOM 695 O VAL A 108 19.119 -7.559 2.589 1.00 32.74 O +ATOM 696 CB VAL A 108 20.914 -6.048 4.869 1.00 36.33 C +ATOM 697 CG1 VAL A 108 21.650 -5.412 3.709 1.00 37.75 C +ATOM 698 CG2 VAL A 108 19.690 -5.236 5.243 1.00 36.99 C +ATOM 699 N VAL A 109 18.143 -7.864 4.619 1.00 38.64 N +ATOM 700 CA VAL A 109 16.736 -8.058 4.213 1.00 40.78 C +ATOM 701 C VAL A 109 16.520 -9.550 3.941 1.00 42.51 C +ATOM 702 O VAL A 109 17.481 -10.242 3.539 1.00 42.68 O +ATOM 703 CB VAL A 109 16.277 -7.204 2.975 1.00 41.86 C +ATOM 704 CG1 VAL A 109 14.762 -7.298 2.791 1.00 41.92 C +ATOM 705 CG2 VAL A 109 16.649 -5.745 3.141 1.00 43.61 C +TER 706 VAL A 109 +ATOM 707 N GLU B 17 32.075 -34.286 -11.853 1.00 52.56 N +ATOM 708 CA GLU B 17 31.206 -33.198 -11.326 1.00 50.89 C +ATOM 709 C GLU B 17 31.909 -31.865 -11.563 1.00 44.52 C +ATOM 710 O GLU B 17 32.999 -31.632 -11.049 1.00 46.37 O +ATOM 711 CB GLU B 17 30.912 -33.429 -9.824 1.00 55.17 C +ATOM 712 CG GLU B 17 32.078 -34.013 -8.980 1.00 58.48 C +ATOM 713 CD GLU B 17 32.839 -32.976 -8.139 1.00 60.32 C +ATOM 714 OE1 GLU B 17 32.302 -32.543 -7.098 1.00 60.54 O +ATOM 715 OE2 GLU B 17 33.988 -32.618 -8.498 1.00 60.63 O +ATOM 716 N THR B 18 31.324 -31.015 -12.390 1.00 36.89 N +ATOM 717 CA THR B 18 31.948 -29.737 -12.658 1.00 32.17 C +ATOM 718 C THR B 18 31.419 -28.661 -11.707 1.00 26.92 C +ATOM 719 O THR B 18 30.376 -28.848 -11.062 1.00 25.44 O +ATOM 720 CB THR B 18 31.733 -29.316 -14.107 1.00 33.65 C +ATOM 721 OG1 THR B 18 30.372 -28.917 -14.291 1.00 33.86 O +ATOM 722 CG2 THR B 18 32.040 -30.485 -15.032 1.00 35.00 C +ATOM 723 N PHE B 19 32.143 -27.542 -11.625 1.00 22.45 N +ATOM 724 CA PHE B 19 31.769 -26.453 -10.742 1.00 17.73 C +ATOM 725 C PHE B 19 30.344 -26.019 -10.974 1.00 21.74 C +ATOM 726 O PHE B 19 29.549 -25.992 -10.043 1.00 22.84 O +ATOM 727 CB PHE B 19 32.674 -25.245 -10.916 1.00 12.04 C +ATOM 728 CG PHE B 19 32.265 -24.076 -10.062 1.00 12.01 C +ATOM 729 CD1 PHE B 19 32.438 -24.116 -8.685 1.00 12.17 C +ATOM 730 CD2 PHE B 19 31.667 -22.955 -10.628 1.00 11.53 C +ATOM 731 CE1 PHE B 19 32.021 -23.055 -7.889 1.00 13.45 C +ATOM 732 CE2 PHE B 19 31.246 -21.888 -9.839 1.00 10.96 C +ATOM 733 CZ PHE B 19 31.421 -21.935 -8.468 1.00 11.75 C +ATOM 734 N SER B 20 30.030 -25.693 -12.225 1.00 24.64 N +ATOM 735 CA SER B 20 28.703 -25.237 -12.606 1.00 26.30 C +ATOM 736 C SER B 20 27.575 -26.173 -12.205 1.00 27.49 C +ATOM 737 O SER B 20 26.509 -25.712 -11.822 1.00 28.40 O +ATOM 738 CB SER B 20 28.652 -24.947 -14.093 1.00 27.55 C +ATOM 739 OG SER B 20 28.286 -23.593 -14.268 1.00 30.01 O +ATOM 740 N ASP B 21 27.809 -27.478 -12.284 1.00 27.30 N +ATOM 741 CA ASP B 21 26.814 -28.452 -11.882 1.00 28.79 C +ATOM 742 C ASP B 21 26.639 -28.352 -10.378 1.00 29.54 C +ATOM 743 O ASP B 21 25.519 -28.300 -9.873 1.00 33.11 O +ATOM 744 CB ASP B 21 27.281 -29.875 -12.205 1.00 33.00 C +ATOM 745 CG ASP B 21 27.479 -30.112 -13.692 1.00 38.52 C +ATOM 746 OD1 ASP B 21 26.877 -29.358 -14.503 1.00 39.73 O +ATOM 747 OD2 ASP B 21 28.238 -31.057 -14.042 1.00 40.32 O +ATOM 748 N LEU B 22 27.761 -28.324 -9.665 1.00 26.27 N +ATOM 749 CA LEU B 22 27.753 -28.274 -8.217 1.00 21.85 C +ATOM 750 C LEU B 22 27.124 -27.006 -7.657 1.00 22.11 C +ATOM 751 O LEU B 22 26.320 -27.064 -6.716 1.00 24.72 O +ATOM 752 CB LEU B 22 29.180 -28.412 -7.685 1.00 18.73 C +ATOM 753 CG LEU B 22 29.872 -29.738 -7.354 1.00 15.80 C +ATOM 754 CD1 LEU B 22 29.042 -30.916 -7.782 1.00 14.53 C +ATOM 755 CD2 LEU B 22 31.236 -29.774 -8.020 1.00 14.98 C +ATOM 756 N TRP B 23 27.477 -25.871 -8.251 1.00 19.21 N +ATOM 757 CA TRP B 23 27.021 -24.553 -7.803 1.00 20.10 C +ATOM 758 C TRP B 23 25.532 -24.284 -8.011 1.00 25.27 C +ATOM 759 O TRP B 23 24.919 -23.498 -7.297 1.00 27.09 O +ATOM 760 CB TRP B 23 27.892 -23.448 -8.451 1.00 14.64 C +ATOM 761 CG TRP B 23 27.585 -22.055 -8.009 1.00 11.74 C +ATOM 762 CD1 TRP B 23 26.730 -21.178 -8.613 1.00 10.40 C +ATOM 763 CD2 TRP B 23 28.090 -21.382 -6.842 1.00 11.59 C +ATOM 764 NE1 TRP B 23 26.659 -20.002 -7.892 1.00 8.62 N +ATOM 765 CE2 TRP B 23 27.478 -20.101 -6.799 1.00 10.54 C +ATOM 766 CE3 TRP B 23 28.990 -21.731 -5.830 1.00 11.67 C +ATOM 767 CZ2 TRP B 23 27.738 -19.177 -5.784 1.00 11.03 C +ATOM 768 CZ3 TRP B 23 29.251 -20.809 -4.825 1.00 10.73 C +ATOM 769 CH2 TRP B 23 28.623 -19.548 -4.812 1.00 10.81 C +ATOM 770 N LYS B 24 24.939 -24.930 -8.991 1.00 30.12 N +ATOM 771 CA LYS B 24 23.530 -24.716 -9.231 1.00 35.48 C +ATOM 772 C LYS B 24 22.646 -25.442 -8.219 1.00 35.68 C +ATOM 773 O LYS B 24 21.451 -25.171 -8.134 1.00 39.75 O +ATOM 774 CB LYS B 24 23.180 -25.083 -10.671 1.00 41.39 C +ATOM 775 CG LYS B 24 23.805 -24.114 -11.676 1.00 46.84 C +ATOM 776 CD LYS B 24 23.803 -24.649 -13.100 1.00 50.66 C +ATOM 777 CE LYS B 24 24.657 -23.764 -13.999 1.00 52.44 C +ATOM 778 NZ LYS B 24 24.754 -24.351 -15.355 1.00 53.53 N +ATOM 779 N LEU B 25 23.240 -26.308 -7.408 1.00 31.53 N +ATOM 780 CA LEU B 25 22.485 -27.035 -6.394 1.00 28.43 C +ATOM 781 C LEU B 25 22.403 -26.295 -5.067 1.00 27.36 C +ATOM 782 O LEU B 25 22.155 -26.900 -4.030 1.00 28.91 O +ATOM 783 CB LEU B 25 23.113 -28.401 -6.153 1.00 28.84 C +ATOM 784 CG LEU B 25 23.201 -29.321 -7.366 1.00 30.87 C +ATOM 785 CD1 LEU B 25 23.891 -30.600 -6.922 1.00 30.42 C +ATOM 786 CD2 LEU B 25 21.808 -29.605 -7.945 1.00 30.75 C +ATOM 787 N LEU B 26 22.657 -24.998 -5.083 1.00 28.16 N +ATOM 788 CA LEU B 26 22.616 -24.202 -3.862 1.00 30.58 C +ATOM 789 C LEU B 26 21.235 -23.583 -3.733 1.00 32.69 C +ATOM 790 O LEU B 26 20.630 -23.223 -4.753 1.00 33.43 O +ATOM 791 CB LEU B 26 23.652 -23.069 -3.918 1.00 30.27 C +ATOM 792 CG LEU B 26 25.131 -23.345 -4.163 1.00 29.57 C +ATOM 793 CD1 LEU B 26 25.825 -22.010 -4.268 1.00 29.65 C +ATOM 794 CD2 LEU B 26 25.723 -24.177 -3.038 1.00 29.90 C +ATOM 795 N PRO B 27 20.753 -23.387 -2.477 1.00 32.15 N +ATOM 796 CA PRO B 27 19.442 -22.801 -2.172 1.00 32.91 C +ATOM 797 C PRO B 27 19.329 -21.458 -2.877 1.00 36.74 C +ATOM 798 O PRO B 27 20.105 -20.538 -2.608 1.00 37.93 O +ATOM 799 CB PRO B 27 19.491 -22.646 -0.660 1.00 31.00 C +ATOM 800 CG PRO B 27 20.369 -23.774 -0.245 1.00 28.74 C +ATOM 801 CD PRO B 27 21.480 -23.661 -1.226 1.00 29.37 C +ATOM 802 N GLU B 28 18.368 -21.373 -3.794 1.00 39.68 N +ATOM 803 CA GLU B 28 18.139 -20.187 -4.619 1.00 41.42 C +ATOM 804 C GLU B 28 17.306 -19.049 -4.048 1.00 41.07 C +ATOM 805 O GLU B 28 17.039 -18.062 -4.733 1.00 44.94 O +ATOM 806 CB GLU B 28 17.603 -20.610 -5.988 1.00 43.50 C +ATOM 807 CG GLU B 28 16.553 -21.693 -5.923 1.00 46.41 C +ATOM 808 CD GLU B 28 16.395 -22.434 -7.228 1.00 50.74 C +ATOM 809 OE1 GLU B 28 17.341 -22.426 -8.054 1.00 50.52 O +ATOM 810 OE2 GLU B 28 15.315 -23.043 -7.418 1.00 54.75 O +ATOM 811 N ASN B 29 16.925 -19.172 -2.791 1.00 37.74 N +ATOM 812 CA ASN B 29 16.147 -18.147 -2.112 1.00 37.72 C +ATOM 813 C ASN B 29 16.548 -18.261 -0.669 1.00 30.80 C +ATOM 814 O ASN B 29 17.159 -19.284 -0.370 1.00 28.87 O +ATOM 815 CB ASN B 29 14.634 -18.393 -2.256 1.00 44.98 C +ATOM 816 CG ASN B 29 14.044 -17.784 -3.540 1.00 49.82 C +ATOM 817 OD1 ASN B 29 14.536 -16.773 -4.071 1.00 50.99 O +ATOM 818 ND2 ASN B 29 12.963 -18.387 -4.023 1.00 51.64 N +ATOM 819 OXT ASN B 29 16.296 -17.351 0.139 1.00 30.36 O +TER 820 ASN B 29 +MASTER 273 0 0 5 2 0 0 6 818 2 0 11 +END diff --git a/data/targets/ppi_benchmark/mdm2_4hg7.pdb b/data/targets/ppi_benchmark/mdm2_4hg7.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f48dbd46fd17a856f7d5cdd32b471ebd413f7567 --- /dev/null +++ b/data/targets/ppi_benchmark/mdm2_4hg7.pdb @@ -0,0 +1,2303 @@ +HEADER LIGASE 07-OCT-12 4HG7 +TITLE CRYSTAL STRUCTURE OF AN MDM2/NUTLIN-3A COMPLEX +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: E3 UBIQUITIN-PROTEIN LIGASE MDM2; +COMPND 3 CHAIN: A; +COMPND 4 FRAGMENT: P53 BINDING DOMAIN (RESIDUES 17-125); +COMPND 5 SYNONYM: DOUBLE MINUTE 2 PROTEIN, HDM2, ONCOPROTEIN MDM2, P53-BINDING +COMPND 6 PROTEIN MDM2; +COMPND 7 EC: 6.3.2.-; +COMPND 8 ENGINEERED: YES; +COMPND 9 MUTATION: YES +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; +SOURCE 3 ORGANISM_COMMON: HUMAN; +SOURCE 4 ORGANISM_TAXID: 9606; +SOURCE 5 GENE: MDM2; +SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; +SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; +SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3); +SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; +SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PGEX6P1 +KEYWDS MDM2, NUTLIN-3A, SURFACE ENTROPY REDUCTION, MUTANT VALIDATION, LIGASE +EXPDTA X-RAY DIFFRACTION +AUTHOR M.E.M.NOBLE,B.ANIL,C.RIEDINGER,J.A.ENDICOTT +REVDAT 3 28-FEB-24 4HG7 1 REMARK SEQADV +REVDAT 2 21-AUG-13 4HG7 1 JRNL +REVDAT 1 31-JUL-13 4HG7 0 +JRNL AUTH B.ANIL,C.RIEDINGER,J.A.ENDICOTT,M.E.NOBLE +JRNL TITL THE STRUCTURE OF AN MDM2-NUTLIN-3A COMPLEX SOLVED BY THE USE +JRNL TITL 2 OF A VALIDATED MDM2 SURFACE-ENTROPY REDUCTION MUTANT. +JRNL REF ACTA CRYSTALLOGR.,SECT.D V. 69 1358 2013 +JRNL REFN ISSN 0907-4449 +JRNL PMID 23897459 +JRNL DOI 10.1107/S0907444913004459 +REMARK 2 +REMARK 2 RESOLUTION. 1.60 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : REFMAC 5.6.0117 +REMARK 3 AUTHORS : MURSHUDOV,SKUBAK,LEBEDEV,PANNU,STEINER, +REMARK 3 : NICHOLLS,WINN,LONG,VAGIN +REMARK 3 +REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.60 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 30.94 +REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.200 +REMARK 3 COMPLETENESS FOR RANGE (%) : 98.8 +REMARK 3 NUMBER OF REFLECTIONS : 20070 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT +REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM +REMARK 3 R VALUE (WORKING + TEST SET) : 0.176 +REMARK 3 R VALUE (WORKING SET) : 0.173 +REMARK 3 FREE R VALUE : 0.215 +REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 +REMARK 3 FREE R VALUE TEST SET COUNT : 1065 +REMARK 3 +REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. +REMARK 3 TOTAL NUMBER OF BINS USED : 20 +REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.60 +REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.64 +REMARK 3 REFLECTION IN BIN (WORKING SET) : 1299 +REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 98.84 +REMARK 3 BIN R VALUE (WORKING SET) : 0.2360 +REMARK 3 BIN FREE R VALUE SET COUNT : 61 +REMARK 3 BIN FREE R VALUE : 0.3060 +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 744 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 45 +REMARK 3 SOLVENT ATOMS : 97 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : NULL +REMARK 3 MEAN B VALUE (OVERALL, A**2) : 21.61 +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : -0.55000 +REMARK 3 B22 (A**2) : -0.55000 +REMARK 3 B33 (A**2) : 0.83000 +REMARK 3 B12 (A**2) : -0.28000 +REMARK 3 B13 (A**2) : 0.00000 +REMARK 3 B23 (A**2) : 0.00000 +REMARK 3 +REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. +REMARK 3 ESU BASED ON R VALUE (A): 0.081 +REMARK 3 ESU BASED ON FREE R VALUE (A): 0.076 +REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.043 +REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 2.668 +REMARK 3 +REMARK 3 CORRELATION COEFFICIENTS. +REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.955 +REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.934 +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT +REMARK 3 BOND LENGTHS REFINED ATOMS (A): 862 ; 0.014 ; 0.020 +REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL +REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 1181 ; 1.596 ; 2.063 +REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL +REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 108 ; 5.039 ; 5.000 +REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 35 ;41.647 ;24.286 +REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 165 ;12.277 ;15.000 +REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 4 ;16.794 ;15.000 +REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 132 ; 0.085 ; 0.200 +REMARK 3 GENERAL PLANES REFINED ATOMS (A): 646 ; 0.011 ; 0.021 +REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL +REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL +REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL +REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL +REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY VDW REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL +REMARK 3 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT +REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 LONG RANGE B REFINED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 LONG RANGE B OTHER ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 +REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT +REMARK 3 RIGID-BOND RESTRAINTS (A**2): 861 ; 4.481 ; 3.000 +REMARK 3 SPHERICITY; FREE ATOMS (A**2): 47 ;28.475 ; 5.000 +REMARK 3 SPHERICITY; BONDED ATOMS (A**2): 894 ;13.951 ; 5.000 +REMARK 3 +REMARK 3 NCS RESTRAINTS STATISTICS +REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL +REMARK 3 +REMARK 3 TLS DETAILS +REMARK 3 NUMBER OF TLS GROUPS : NULL +REMARK 3 +REMARK 3 BULK SOLVENT MODELLING. +REMARK 3 METHOD USED : MASK +REMARK 3 PARAMETERS FOR MASK CALCULATION +REMARK 3 VDW PROBE RADIUS : 1.20 +REMARK 3 ION PROBE RADIUS : 0.80 +REMARK 3 SHRINKAGE RADIUS : 0.80 +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN USED IF PRESENT IN +REMARK 3 THE INPUT +REMARK 4 +REMARK 4 4HG7 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 12-OCT-12. +REMARK 100 THE DEPOSITION ID IS D_1000075426. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : 26-NOV-10 +REMARK 200 TEMPERATURE (KELVIN) : 298 +REMARK 200 PH : 5.6 +REMARK 200 NUMBER OF CRYSTALS USED : 1 +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : Y +REMARK 200 RADIATION SOURCE : ESRF +REMARK 200 BEAMLINE : ID23-2 +REMARK 200 X-RAY GENERATOR MODEL : NULL +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 0.8726 +REMARK 200 MONOCHROMATOR : SI 111 CHANNEL +REMARK 200 OPTICS : NULL +REMARK 200 +REMARK 200 DETECTOR TYPE : CCD +REMARK 200 DETECTOR MANUFACTURER : MARMOSAIC 225 MM CCD +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS +REMARK 200 DATA SCALING SOFTWARE : XDS, SCALA +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 21274 +REMARK 200 RESOLUTION RANGE HIGH (A) : 1.600 +REMARK 200 RESOLUTION RANGE LOW (A) : 33.790 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 2.000 +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 99.5 +REMARK 200 DATA REDUNDANCY : NULL +REMARK 200 R MERGE (I) : NULL +REMARK 200 R SYM (I) : NULL +REMARK 200 FOR THE DATA SET : NULL +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.60 +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.69 +REMARK 200 COMPLETENESS FOR SHELL (%) : 99.5 +REMARK 200 DATA REDUNDANCY IN SHELL : NULL +REMARK 200 R MERGE FOR SHELL (I) : NULL +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 FOR SHELL : NULL +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT +REMARK 200 SOFTWARE USED: PHASER +REMARK 200 STARTING MODEL: NULL +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 64.50 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.46 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: 0.5 M AMMONIUM SULFATE, 0.1 M SODIUM +REMARK 280 CITRATE, 1.0 M LITHIUM SULFATE, PH 5.6, VAPOR DIFFUSION, SITTING +REMARK 280 DROP, TEMPERATURE 277K +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 65 2 2 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -Y,X-Y,Z+2/3 +REMARK 290 3555 -X+Y,-X,Z+1/3 +REMARK 290 4555 -X,-Y,Z+1/2 +REMARK 290 5555 Y,-X+Y,Z+1/6 +REMARK 290 6555 X-Y,X,Z+5/6 +REMARK 290 7555 Y,X,-Z+2/3 +REMARK 290 8555 X-Y,-Y,-Z +REMARK 290 9555 -X,-X+Y,-Z+1/3 +REMARK 290 10555 -Y,-X,-Z+1/6 +REMARK 290 11555 -X+Y,Y,-Z+1/2 +REMARK 290 12555 X,X-Y,-Z+5/6 +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 69.46933 +REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 34.73467 +REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 52.10200 +REMARK 290 SMTRY1 5 0.500000 0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 5 -0.866025 0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 17.36733 +REMARK 290 SMTRY1 6 0.500000 -0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 6 0.866025 0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 86.83667 +REMARK 290 SMTRY1 7 -0.500000 0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 7 0.866025 0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 69.46933 +REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 SMTRY1 9 -0.500000 -0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 9 -0.866025 0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 9 0.000000 0.000000 -1.000000 34.73467 +REMARK 290 SMTRY1 10 0.500000 -0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 10 -0.866025 -0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 10 0.000000 0.000000 -1.000000 17.36733 +REMARK 290 SMTRY1 11 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 11 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 11 0.000000 0.000000 -1.000000 52.10200 +REMARK 290 SMTRY1 12 0.500000 0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 12 0.866025 -0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 12 0.000000 0.000000 -1.000000 86.83667 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1, 2 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 +REMARK 350 BIOMOLECULE: 2 +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 1170 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 10140 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -9.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 BIOMT1 2 0.500000 0.866025 0.000000 -35.72500 +REMARK 350 BIOMT2 2 0.866025 -0.500000 0.000000 61.87752 +REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 -17.36733 +REMARK 465 +REMARK 465 MISSING RESIDUES +REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE +REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) +REMARK 465 +REMARK 465 M RES C SSSEQI +REMARK 465 GLY A 12 +REMARK 465 PRO A 13 +REMARK 465 LEU A 14 +REMARK 465 GLY A 15 +REMARK 465 SER A 16 +REMARK 465 SER A 17 +REMARK 800 +REMARK 800 SITE +REMARK 800 SITE_IDENTIFIER: AC1 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NUT A 201 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC2 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 202 +REMARK 900 +REMARK 900 RELATED ENTRIES +REMARK 900 RELATED ID: 4HFZ RELATED DB: PDB +REMARK 900 STRUCTURE SOLVED USING THE SAME SURFACE MUTATIONS OF THE SAME +REMARK 900 CONSTRUCT +DBREF 4HG7 A 17 108 UNP Q00987 MDM2_HUMAN 17 108 +SEQADV 4HG7 GLY A 12 UNP Q00987 EXPRESSION TAG +SEQADV 4HG7 PRO A 13 UNP Q00987 EXPRESSION TAG +SEQADV 4HG7 LEU A 14 UNP Q00987 EXPRESSION TAG +SEQADV 4HG7 GLY A 15 UNP Q00987 EXPRESSION TAG +SEQADV 4HG7 SER A 16 UNP Q00987 EXPRESSION TAG +SEQADV 4HG7 ALA A 69 UNP Q00987 GLU 69 ENGINEERED MUTATION +SEQADV 4HG7 ALA A 70 UNP Q00987 LYS 70 ENGINEERED MUTATION +SEQRES 1 A 97 GLY PRO LEU GLY SER SER GLN ILE PRO ALA SER GLU GLN +SEQRES 2 A 97 GLU THR LEU VAL ARG PRO LYS PRO LEU LEU LEU LYS LEU +SEQRES 3 A 97 LEU LYS SER VAL GLY ALA GLN LYS ASP THR TYR THR MET +SEQRES 4 A 97 LYS GLU VAL LEU PHE TYR LEU GLY GLN TYR ILE MET THR +SEQRES 5 A 97 LYS ARG LEU TYR ASP ALA ALA GLN GLN HIS ILE VAL TYR +SEQRES 6 A 97 CYS SER ASN ASP LEU LEU GLY ASP LEU PHE GLY VAL PRO +SEQRES 7 A 97 SER PHE SER VAL LYS GLU HIS ARG LYS ILE TYR THR MET +SEQRES 8 A 97 ILE TYR ARG ASN LEU VAL +HET NUT A 201 40 +HET SO4 A 202 5 +HETNAM NUT 4-({(4S,5R)-4,5-BIS(4-CHLOROPHENYL)-2-[4-METHOXY-2- +HETNAM 2 NUT (PROPAN-2-YLOXY)PHENYL]-4,5-DIHYDRO-1H-IMIDAZOL-1- +HETNAM 3 NUT YL}CARBONYL)PIPERAZIN-2-ONE +HETNAM SO4 SULFATE ION +HETSYN NUT NUTLIN 3A +FORMUL 2 NUT C30 H30 CL2 N4 O4 +FORMUL 3 SO4 O4 S 2- +FORMUL 4 HOH *97(H2 O) +HELIX 1 1 PRO A 20 GLU A 25 1 6 +HELIX 2 2 LYS A 31 VAL A 41 1 11 +HELIX 3 3 MET A 50 LYS A 64 1 15 +HELIX 4 4 ASP A 80 GLY A 87 1 8 +HELIX 5 5 GLU A 95 ARG A 105 1 11 +SHEET 1 A 2 LEU A 27 VAL A 28 0 +SHEET 2 A 2 TYR A 48 THR A 49 -1 O TYR A 48 N VAL A 28 +SHEET 1 B 2 ILE A 74 TYR A 76 0 +SHEET 2 B 2 SER A 90 SER A 92 -1 O PHE A 91 N VAL A 75 +SITE 1 AC1 14 PRO A 32 LEU A 54 LEU A 57 GLY A 58 +SITE 2 AC1 14 ILE A 61 MET A 62 GLN A 72 HIS A 73 +SITE 3 AC1 14 VAL A 93 HIS A 96 SO4 A 202 HOH A 307 +SITE 4 AC1 14 HOH A 327 HOH A 338 +SITE 1 AC2 9 LYS A 31 GLN A 71 GLN A 72 HIS A 73 +SITE 2 AC2 9 NUT A 201 HOH A 320 HOH A 324 HOH A 331 +SITE 3 AC2 9 HOH A 347 +CRYST1 71.450 71.450 104.204 90.00 90.00 120.00 P 65 2 2 12 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.013996 0.008080 0.000000 0.00000 +SCALE2 0.000000 0.016161 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.009597 0.00000 +ATOM 1 N GLN A 18 -33.251 16.116 -16.144 1.00 26.63 N +ANISOU 1 N GLN A 18 4640 2822 2656 -316 -1400 183 N +ATOM 2 CA GLN A 18 -33.744 16.395 -14.779 1.00 22.76 C +ANISOU 2 CA GLN A 18 3338 2405 2903 -275 -1288 305 C +ATOM 3 C GLN A 18 -33.202 17.722 -14.291 1.00 22.08 C +ANISOU 3 C GLN A 18 2621 2319 3449 -200 -497 -1 C +ATOM 4 O GLN A 18 -33.766 18.329 -13.368 1.00 24.13 O +ANISOU 4 O GLN A 18 2690 2483 3994 -237 -356 -205 O +ATOM 5 CB GLN A 18 -33.223 15.314 -13.819 1.00 21.88 C +ANISOU 5 CB GLN A 18 3432 1792 3088 -340 -1412 170 C +ATOM 6 CG GLN A 18 -33.750 13.922 -14.126 1.00 22.46 C +ANISOU 6 CG GLN A 18 3459 2103 2971 -580 -1541 -52 C +ATOM 7 CD GLN A 18 -33.207 12.844 -13.217 1.00 25.20 C +ANISOU 7 CD GLN A 18 3273 3187 3115 454 -1263 -53 C +ATOM 8 OE1 GLN A 18 -32.919 11.702 -13.662 1.00 29.66 O +ANISOU 8 OE1 GLN A 18 3349 3370 4550 232 -747 -698 O +ATOM 9 NE2 GLN A 18 -33.110 13.159 -11.948 1.00 17.15 N +ANISOU 9 NE2 GLN A 18 1933 1583 2999 -115 -781 -35 N +ATOM 10 N ILE A 19 -32.048 18.114 -14.839 1.00 17.77 N +ANISOU 10 N ILE A 19 2530 1935 2285 -338 -734 207 N +ATOM 11 CA ILE A 19 -31.388 19.371 -14.398 1.00 15.09 C +ANISOU 11 CA ILE A 19 2131 1737 1863 74 -659 62 C +ATOM 12 C ILE A 19 -31.360 20.363 -15.568 1.00 15.53 C +ANISOU 12 C ILE A 19 2361 1674 1864 182 -752 47 C +ATOM 13 O ILE A 19 -30.874 20.015 -16.645 1.00 17.20 O +ANISOU 13 O ILE A 19 2406 2015 2113 362 -660 -123 O +ATOM 14 CB ILE A 19 -29.940 19.163 -13.897 1.00 14.39 C +ANISOU 14 CB ILE A 19 2047 1801 1618 329 -410 228 C +ATOM 15 CG1 ILE A 19 -29.853 18.064 -12.782 1.00 12.77 C +ANISOU 15 CG1 ILE A 19 1935 1683 1231 127 -401 18 C +ATOM 16 CG2 ILE A 19 -29.332 20.499 -13.400 1.00 16.71 C +ANISOU 16 CG2 ILE A 19 1954 2286 2110 227 -202 -216 C +ATOM 17 CD1 ILE A 19 -30.565 18.411 -11.459 1.00 14.95 C +ANISOU 17 CD1 ILE A 19 2162 1975 1541 37 -134 -328 C +ATOM 18 N PRO A 20 -31.850 21.618 -15.350 1.00 15.79 N +ANISOU 18 N PRO A 20 2330 1730 1938 260 -608 14 N +ATOM 19 CA PRO A 20 -31.833 22.555 -16.472 1.00 16.93 C +ANISOU 19 CA PRO A 20 2676 1398 2358 320 -866 -67 C +ATOM 20 C PRO A 20 -30.406 22.832 -17.002 1.00 16.79 C +ANISOU 20 C PRO A 20 2548 1866 1964 138 -1057 145 C +ATOM 21 O PRO A 20 -29.440 22.933 -16.233 1.00 14.85 O +ANISOU 21 O PRO A 20 2305 1747 1591 299 -940 112 O +ATOM 22 CB PRO A 20 -32.480 23.840 -15.887 1.00 18.84 C +ANISOU 22 CB PRO A 20 2717 1295 3145 420 -428 91 C +ATOM 23 CG PRO A 20 -33.228 23.392 -14.660 1.00 21.77 C +ANISOU 23 CG PRO A 20 3463 2238 2569 951 -776 325 C +ATOM 24 CD PRO A 20 -32.571 22.141 -14.171 1.00 17.00 C +ANISOU 24 CD PRO A 20 2395 1895 2169 578 -544 157 C +ATOM 25 N ALA A 21 -30.285 22.997 -18.307 1.00 18.79 N +ANISOU 25 N ALA A 21 2905 2213 2022 250 -396 -137 N +ATOM 26 CA ALA A 21 -28.996 23.235 -18.942 1.00 18.45 C +ANISOU 26 CA ALA A 21 2932 2470 1605 -75 -384 67 C +ATOM 27 C ALA A 21 -28.269 24.431 -18.361 1.00 16.30 C +ANISOU 27 C ALA A 21 2630 1811 1750 274 -555 348 C +ATOM 28 O ALA A 21 -27.044 24.367 -18.157 1.00 17.22 O +ANISOU 28 O ALA A 21 2657 2174 1712 398 -620 64 O +ATOM 29 CB ALA A 21 -29.182 23.417 -20.449 1.00 21.78 C +ANISOU 29 CB ALA A 21 3815 2638 1820 308 -1291 -25 C +ATOM 30 N SER A 22 -28.998 25.516 -18.059 1.00 15.80 N +ANISOU 30 N SER A 22 2616 1886 1500 210 -835 148 N +ATOM 31 CA ASER A 22 -28.345 26.723 -17.527 0.80 15.69 C +ANISOU 31 CA ASER A 22 2635 1811 1516 415 -676 -30 C +ATOM 32 CA BSER A 22 -28.340 26.708 -17.516 0.20 15.19 C +ANISOU 32 CA BSER A 22 2460 1748 1563 299 -655 159 C +ATOM 33 C SER A 22 -27.637 26.438 -16.184 1.00 14.66 C +ANISOU 33 C SER A 22 2235 1760 1573 186 -587 265 C +ATOM 34 O SER A 22 -26.570 26.985 -15.905 1.00 15.22 O +ANISOU 34 O SER A 22 2118 1875 1790 210 -331 80 O +ATOM 35 CB ASER A 22 -29.349 27.885 -17.393 0.80 18.00 C +ANISOU 35 CB ASER A 22 2303 2321 2215 657 -523 449 C +ATOM 36 CB BSER A 22 -29.339 27.848 -17.370 0.20 15.24 C +ANISOU 36 CB BSER A 22 2316 1870 1603 397 -782 534 C +ATOM 37 OG ASER A 22 -30.358 27.609 -16.431 0.80 19.75 O +ANISOU 37 OG ASER A 22 2193 2306 3005 85 -402 427 O +ATOM 38 OG BSER A 22 -29.824 28.215 -18.642 0.20 15.16 O +ANISOU 38 OG BSER A 22 2227 1701 1831 446 -923 671 O +ATOM 39 N GLU A 23 -28.238 25.588 -15.365 1.00 13.27 N +ANISOU 39 N GLU A 23 2096 1531 1415 257 -548 46 N +ATOM 40 CA GLU A 23 -27.706 25.250 -14.063 1.00 11.57 C +ANISOU 40 CA GLU A 23 1771 1462 1163 353 -149 43 C +ATOM 41 C GLU A 23 -26.448 24.374 -14.226 1.00 12.43 C +ANISOU 41 C GLU A 23 1836 1591 1293 464 -281 -52 C +ATOM 42 O GLU A 23 -25.468 24.556 -13.499 1.00 14.56 O +ANISOU 42 O GLU A 23 1996 1841 1695 306 -436 240 O +ATOM 43 CB GLU A 23 -28.777 24.514 -13.238 1.00 12.59 C +ANISOU 43 CB GLU A 23 1860 1612 1309 214 -341 235 C +ATOM 44 CG GLU A 23 -28.287 24.177 -11.848 1.00 12.34 C +ANISOU 44 CG GLU A 23 1650 1493 1543 353 -578 286 C +ATOM 45 CD GLU A 23 -29.328 23.506 -10.983 1.00 13.98 C +ANISOU 45 CD GLU A 23 1851 1683 1775 365 -351 197 C +ATOM 46 OE1 GLU A 23 -30.501 23.358 -11.410 1.00 13.47 O +ANISOU 46 OE1 GLU A 23 1999 1782 1336 288 -445 222 O +ATOM 47 OE2 GLU A 23 -28.941 23.116 -9.853 1.00 13.93 O +ANISOU 47 OE2 GLU A 23 2487 1486 1320 427 -150 -209 O +ATOM 48 N GLN A 24 -26.479 23.471 -15.221 1.00 12.50 N +ANISOU 48 N GLN A 24 1584 1550 1615 226 -493 -215 N +ATOM 49 CA GLN A 24 -25.328 22.600 -15.501 1.00 13.66 C +ANISOU 49 CA GLN A 24 1791 1652 1745 283 -194 -182 C +ATOM 50 C GLN A 24 -24.129 23.416 -15.972 1.00 14.42 C +ANISOU 50 C GLN A 24 2127 1758 1593 247 -210 325 C +ATOM 51 O GLN A 24 -22.978 23.016 -15.766 1.00 15.26 O +ANISOU 51 O GLN A 24 2034 2152 1609 90 -218 204 O +ATOM 52 CB GLN A 24 -25.670 21.566 -16.587 1.00 14.10 C +ANISOU 52 CB GLN A 24 1895 1713 1747 132 25 -311 C +ATOM 53 CG GLN A 24 -26.841 20.662 -16.210 1.00 14.46 C +ANISOU 53 CG GLN A 24 2188 1596 1710 -162 -226 -61 C +ATOM 54 CD GLN A 24 -27.020 19.503 -17.177 1.00 18.58 C +ANISOU 54 CD GLN A 24 2896 2075 2085 -166 -348 -473 C +ATOM 55 OE1 GLN A 24 -26.041 18.835 -17.539 1.00 22.28 O +ANISOU 55 OE1 GLN A 24 3360 2345 2757 335 -464 -571 O +ATOM 56 NE2 GLN A 24 -28.266 19.248 -17.603 1.00 19.87 N +ANISOU 56 NE2 GLN A 24 3143 2237 2169 121 -820 -43 N +ATOM 57 N GLU A 25 -24.411 24.544 -16.624 1.00 14.67 N +ANISOU 57 N GLU A 25 2350 1814 1406 126 -397 307 N +ATOM 58 CA AGLU A 25 -23.328 25.316 -17.231 0.50 15.24 C +ANISOU 58 CA AGLU A 25 2618 1938 1233 143 -283 578 C +ATOM 59 CA BGLU A 25 -23.390 25.367 -17.271 0.50 15.29 C +ANISOU 59 CA BGLU A 25 2542 1946 1320 149 -363 555 C +ATOM 60 C GLU A 25 -22.832 26.463 -16.361 1.00 14.84 C +ANISOU 60 C GLU A 25 2312 1986 1338 370 -461 433 C +ATOM 61 O GLU A 25 -22.020 27.266 -16.793 1.00 21.60 O +ANISOU 61 O GLU A 25 3235 2514 2457 -118 -166 453 O +ATOM 62 CB AGLU A 25 -23.710 25.812 -18.634 0.50 16.61 C +ANISOU 62 CB AGLU A 25 2822 2281 1206 470 -336 474 C +ATOM 63 CB BGLU A 25 -23.934 25.982 -18.586 0.50 17.56 C +ANISOU 63 CB BGLU A 25 2931 2446 1291 58 -572 535 C +ATOM 64 CG AGLU A 25 -23.992 24.696 -19.628 0.50 22.33 C +ANISOU 64 CG AGLU A 25 3403 2803 2278 208 -378 -214 C +ATOM 65 CG BGLU A 25 -24.340 24.954 -19.636 0.50 21.22 C +ANISOU 65 CG BGLU A 25 3052 3438 1572 220 -1391 130 C +ATOM 66 CD AGLU A 25 -22.764 23.851 -19.922 0.50 21.72 C +ANISOU 66 CD AGLU A 25 3929 3237 1087 746 -361 -13 C +ATOM 67 CD BGLU A 25 -25.021 25.525 -20.879 0.50 26.01 C +ANISOU 67 CD BGLU A 25 3651 3640 2591 1145 -1344 203 C +ATOM 68 OE1AGLU A 25 -22.915 22.672 -20.297 0.50 30.23 O +ANISOU 68 OE1AGLU A 25 5597 3249 2639 543 -127 -348 O +ATOM 69 OE1BGLU A 25 -25.758 26.538 -20.824 0.50 27.52 O +ANISOU 69 OE1BGLU A 25 3838 3314 3304 1529 -879 1017 O +ATOM 70 OE2AGLU A 25 -21.642 24.363 -19.781 0.50 25.51 O +ANISOU 70 OE2AGLU A 25 3740 3979 1971 983 -71 -74 O +ATOM 71 OE2BGLU A 25 -24.842 24.920 -21.950 0.50 39.48 O +ANISOU 71 OE2BGLU A 25 5766 5705 3530 283 55 -1047 O +ATOM 72 N THR A 26 -23.281 26.509 -15.104 1.00 14.27 N +ANISOU 72 N THR A 26 2117 1823 1480 364 -543 171 N +ATOM 73 CA THR A 26 -22.842 27.558 -14.172 1.00 15.62 C +ANISOU 73 CA THR A 26 2160 1926 1849 165 -569 51 C +ATOM 74 C THR A 26 -21.462 27.224 -13.603 1.00 15.85 C +ANISOU 74 C THR A 26 2243 2018 1759 139 -516 219 C +ATOM 75 O THR A 26 -21.225 26.077 -13.205 1.00 15.10 O +ANISOU 75 O THR A 26 2039 1641 2057 -38 -339 96 O +ATOM 76 CB THR A 26 -23.883 27.687 -13.037 1.00 16.30 C +ANISOU 76 CB THR A 26 2216 2042 1934 271 -461 -87 C +ATOM 77 OG1 THR A 26 -25.091 28.192 -13.629 1.00 21.42 O +ANISOU 77 OG1 THR A 26 2551 2646 2940 360 -1031 -377 O +ATOM 78 CG2 THR A 26 -23.447 28.670 -11.975 1.00 17.75 C +ANISOU 78 CG2 THR A 26 2486 2193 2063 -226 -285 66 C +ATOM 79 N LEU A 27 -20.570 28.218 -13.588 1.00 15.17 N +ANISOU 79 N LEU A 27 1898 2232 1631 55 -479 130 N +ATOM 80 CA LEU A 27 -19.212 28.063 -13.030 1.00 14.25 C +ANISOU 80 CA LEU A 27 1936 1711 1766 -65 -482 578 C +ATOM 81 C LEU A 27 -19.252 28.024 -11.506 1.00 15.15 C +ANISOU 81 C LEU A 27 2201 1738 1815 125 -550 272 C +ATOM 82 O LEU A 27 -19.839 28.918 -10.873 1.00 15.64 O +ANISOU 82 O LEU A 27 2210 2017 1713 235 -442 373 O +ATOM 83 CB LEU A 27 -18.283 29.193 -13.512 1.00 16.16 C +ANISOU 83 CB LEU A 27 2037 1993 2108 -167 -296 672 C +ATOM 84 CG LEU A 27 -16.777 28.995 -13.263 1.00 19.41 C +ANISOU 84 CG LEU A 27 2214 2139 3022 -159 -394 315 C +ATOM 85 CD1 LEU A 27 -16.222 27.959 -14.241 1.00 21.37 C +ANISOU 85 CD1 LEU A 27 2366 2303 3450 634 -154 453 C +ATOM 86 CD2 LEU A 27 -16.050 30.325 -13.415 1.00 23.69 C +ANISOU 86 CD2 LEU A 27 2612 2629 3757 -541 -142 519 C +ATOM 87 N VAL A 28 -18.608 27.015 -10.910 1.00 14.49 N +ANISOU 87 N VAL A 28 2193 1493 1819 -160 -563 307 N +ATOM 88 CA VAL A 28 -18.543 26.887 -9.458 1.00 15.32 C +ANISOU 88 CA VAL A 28 2067 1758 1995 -378 -533 532 C +ATOM 89 C VAL A 28 -17.112 26.638 -8.995 1.00 15.78 C +ANISOU 89 C VAL A 28 2190 1754 2051 -188 -661 175 C +ATOM 90 O VAL A 28 -16.222 26.321 -9.811 1.00 15.89 O +ANISOU 90 O VAL A 28 2005 1809 2223 -39 -551 473 O +ATOM 91 CB VAL A 28 -19.461 25.735 -8.965 1.00 13.82 C +ANISOU 91 CB VAL A 28 1736 1714 1801 -136 -424 610 C +ATOM 92 CG1 VAL A 28 -20.934 26.068 -9.313 1.00 17.35 C +ANISOU 92 CG1 VAL A 28 1859 2517 2217 -24 -698 671 C +ATOM 93 CG2 VAL A 28 -19.030 24.400 -9.592 1.00 16.56 C +ANISOU 93 CG2 VAL A 28 2329 1725 2235 -434 -474 463 C +ATOM 94 N ARG A 29 -16.904 26.762 -7.682 1.00 14.38 N +ANISOU 94 N ARG A 29 1823 1628 2010 3 -704 634 N +ATOM 95 CA ARG A 29 -15.579 26.613 -7.073 1.00 13.71 C +ANISOU 95 CA ARG A 29 1776 1240 2191 -167 -843 241 C +ATOM 96 C ARG A 29 -15.649 25.531 -6.029 1.00 13.63 C +ANISOU 96 C ARG A 29 1898 1374 1907 -253 -739 126 C +ATOM 97 O ARG A 29 -16.136 25.779 -4.930 1.00 14.66 O +ANISOU 97 O ARG A 29 2062 1520 1988 -218 -721 148 O +ATOM 98 CB ARG A 29 -15.109 27.923 -6.425 1.00 15.65 C +ANISOU 98 CB ARG A 29 1991 1406 2549 -729 -476 307 C +ATOM 99 CG ARG A 29 -13.683 27.868 -5.884 1.00 21.97 C +ANISOU 99 CG ARG A 29 2555 2305 3487 -539 -1276 224 C +ATOM 100 CD ARG A 29 -13.241 29.194 -5.290 1.00 27.46 C +ANISOU 100 CD ARG A 29 4330 2716 3385 -1549 -757 368 C +ATOM 101 NE ARG A 29 -13.150 30.249 -6.290 1.00 32.40 N +ANISOU 101 NE ARG A 29 5718 2374 4216 -1757 -892 456 N +ATOM 102 CZ ARG A 29 -12.098 30.469 -7.085 1.00 38.59 C +ANISOU 102 CZ ARG A 29 6046 3877 4736 -601 -243 1252 C +ATOM 103 NH1 ARG A 29 -11.008 29.687 -7.031 1.00 33.71 N +ANISOU 103 NH1 ARG A 29 4592 3489 4725 -1999 -448 706 N +ATOM 104 NH2 ARG A 29 -12.143 31.485 -7.941 1.00 32.09 N +ANISOU 104 NH2 ARG A 29 4541 3571 4077 -343 -1348 885 N +ATOM 105 N PRO A 30 -15.181 24.316 -6.348 1.00 13.07 N +ANISOU 105 N PRO A 30 1693 1467 1805 -115 -663 269 N +ATOM 106 CA PRO A 30 -15.167 23.263 -5.294 1.00 13.18 C +ANISOU 106 CA PRO A 30 1905 1272 1828 43 -843 239 C +ATOM 107 C PRO A 30 -14.380 23.676 -4.026 1.00 14.69 C +ANISOU 107 C PRO A 30 2222 1502 1854 -115 -915 298 C +ATOM 108 O PRO A 30 -13.327 24.342 -4.121 1.00 16.92 O +ANISOU 108 O PRO A 30 2160 2071 2196 -149 -807 82 O +ATOM 109 CB PRO A 30 -14.405 22.110 -5.977 1.00 13.49 C +ANISOU 109 CB PRO A 30 2277 1242 1605 115 -788 235 C +ATOM 110 CG PRO A 30 -14.762 22.288 -7.456 1.00 15.77 C +ANISOU 110 CG PRO A 30 2552 1571 1867 -69 -942 969 C +ATOM 111 CD PRO A 30 -14.720 23.808 -7.660 1.00 14.98 C +ANISOU 111 CD PRO A 30 2158 1416 2117 118 -322 321 C +ATOM 112 N LYS A 31 -14.847 23.256 -2.852 1.00 14.59 N +ANISOU 112 N LYS A 31 2113 1686 1741 -220 -994 216 N +ATOM 113 CA LYS A 31 -13.977 23.335 -1.654 1.00 13.86 C +ANISOU 113 CA LYS A 31 1899 1465 1899 -226 -993 85 C +ATOM 114 C LYS A 31 -12.770 22.350 -1.863 1.00 15.59 C +ANISOU 114 C LYS A 31 1973 1674 2275 -103 -1118 -140 C +ATOM 115 O LYS A 31 -12.827 21.470 -2.737 1.00 14.44 O +ANISOU 115 O LYS A 31 2139 1438 1909 56 -1123 47 O +ATOM 116 CB LYS A 31 -14.767 22.947 -0.377 1.00 14.58 C +ANISOU 116 CB LYS A 31 2468 1600 1472 211 -811 -37 C +ATOM 117 CG LYS A 31 -15.923 23.899 -0.039 1.00 17.58 C +ANISOU 117 CG LYS A 31 2326 2106 2245 454 -848 231 C +ATOM 118 CD LYS A 31 -16.698 23.330 1.174 1.00 18.03 C +ANISOU 118 CD LYS A 31 2601 2157 2089 601 -574 207 C +ATOM 119 CE LYS A 31 -17.917 24.171 1.536 1.00 22.36 C +ANISOU 119 CE LYS A 31 3021 3146 2329 825 -362 294 C +ATOM 120 NZ LYS A 31 -18.520 23.621 2.790 1.00 22.36 N +ANISOU 120 NZ LYS A 31 2599 3744 2152 -38 -839 429 N +ATOM 121 N PRO A 32 -11.689 22.496 -1.083 1.00 14.00 N +ANISOU 121 N PRO A 32 1862 1556 1900 -232 -933 80 N +ATOM 122 CA PRO A 32 -10.471 21.711 -1.373 1.00 14.88 C +ANISOU 122 CA PRO A 32 1762 1640 2249 -417 -1129 215 C +ATOM 123 C PRO A 32 -10.620 20.195 -1.342 1.00 15.12 C +ANISOU 123 C PRO A 32 1852 1578 2312 -122 -1028 396 C +ATOM 124 O PRO A 32 -9.906 19.527 -2.091 1.00 17.98 O +ANISOU 124 O PRO A 32 2099 1665 3066 -161 -977 28 O +ATOM 125 CB PRO A 32 -9.494 22.178 -0.287 1.00 16.13 C +ANISOU 125 CB PRO A 32 1937 1600 2588 -449 -1406 239 C +ATOM 126 CG PRO A 32 -9.899 23.610 -0.065 1.00 17.20 C +ANISOU 126 CG PRO A 32 1719 1826 2989 -200 -948 225 C +ATOM 127 CD PRO A 32 -11.432 23.532 -0.055 1.00 15.96 C +ANISOU 127 CD PRO A 32 1743 1545 2777 -552 -1099 -268 C +ATOM 128 N LEU A 33 -11.503 19.630 -0.497 1.00 14.16 N +ANISOU 128 N LEU A 33 1915 1290 2174 -271 -979 276 N +ATOM 129 CA LEU A 33 -11.629 18.164 -0.491 1.00 13.71 C +ANISOU 129 CA LEU A 33 1711 1414 2082 -517 -791 161 C +ATOM 130 C LEU A 33 -12.263 17.635 -1.782 1.00 13.85 C +ANISOU 130 C LEU A 33 1784 1416 2061 -122 -976 240 C +ATOM 131 O LEU A 33 -11.824 16.615 -2.303 1.00 15.54 O +ANISOU 131 O LEU A 33 1737 1665 2499 255 -1029 10 O +ATOM 132 CB LEU A 33 -12.380 17.667 0.750 1.00 15.11 C +ANISOU 132 CB LEU A 33 2073 1711 1957 -291 -689 444 C +ATOM 133 CG LEU A 33 -11.661 17.938 2.072 1.00 16.99 C +ANISOU 133 CG LEU A 33 2367 2149 1939 -247 -782 576 C +ATOM 134 CD1 LEU A 33 -12.505 17.536 3.265 1.00 19.43 C +ANISOU 134 CD1 LEU A 33 2345 2353 2681 -697 -340 630 C +ATOM 135 CD2 LEU A 33 -10.289 17.279 2.121 1.00 19.80 C +ANISOU 135 CD2 LEU A 33 2364 2755 2402 -149 -1062 685 C +ATOM 136 N LEU A 34 -13.298 18.296 -2.281 1.00 13.66 N +ANISOU 136 N LEU A 34 1632 1634 1924 -361 -1154 212 N +ATOM 137 CA LEU A 34 -13.846 17.888 -3.563 1.00 12.93 C +ANISOU 137 CA LEU A 34 1544 1714 1653 -21 -876 108 C +ATOM 138 C LEU A 34 -12.805 18.134 -4.651 1.00 13.48 C +ANISOU 138 C LEU A 34 1558 1570 1992 -24 -789 169 C +ATOM 139 O LEU A 34 -12.677 17.308 -5.588 1.00 15.20 O +ANISOU 139 O LEU A 34 1795 1697 2282 150 -909 -9 O +ATOM 140 CB LEU A 34 -15.147 18.621 -3.880 1.00 13.60 C +ANISOU 140 CB LEU A 34 1946 1479 1742 162 -1097 227 C +ATOM 141 CG LEU A 34 -15.764 18.385 -5.268 1.00 13.33 C +ANISOU 141 CG LEU A 34 1680 1486 1896 55 -997 -316 C +ATOM 142 CD1 LEU A 34 -16.003 16.885 -5.555 1.00 14.65 C +ANISOU 142 CD1 LEU A 34 1914 1564 2088 117 -737 -679 C +ATOM 143 CD2 LEU A 34 -17.067 19.162 -5.437 1.00 16.29 C +ANISOU 143 CD2 LEU A 34 1920 1803 2465 397 -889 -370 C +ATOM 144 N LEU A 35 -12.069 19.248 -4.547 1.00 13.80 N +ANISOU 144 N LEU A 35 1435 1689 2119 -103 -567 363 N +ATOM 145 CA LEU A 35 -11.061 19.550 -5.571 1.00 15.22 C +ANISOU 145 CA LEU A 35 1952 1599 2230 -314 -248 256 C +ATOM 146 C LEU A 35 -10.012 18.424 -5.630 1.00 18.01 C +ANISOU 146 C LEU A 35 2072 2112 2656 -33 -718 335 C +ATOM 147 O LEU A 35 -9.621 18.009 -6.726 1.00 18.84 O +ANISOU 147 O LEU A 35 2100 2397 2659 -395 -300 149 O +ATOM 148 CB LEU A 35 -10.383 20.916 -5.327 1.00 19.62 C +ANISOU 148 CB LEU A 35 2628 2088 2737 -945 -457 154 C +ATOM 149 CG LEU A 35 -9.569 21.462 -6.513 1.00 22.63 C +ANISOU 149 CG LEU A 35 3041 2287 3271 -659 -305 572 C +ATOM 150 CD1 LEU A 35 -10.470 21.765 -7.700 1.00 25.75 C +ANISOU 150 CD1 LEU A 35 3898 2736 3148 -501 -527 692 C +ATOM 151 CD2 LEU A 35 -8.857 22.738 -6.081 1.00 27.69 C +ANISOU 151 CD2 LEU A 35 3380 2700 4438 -1402 -848 1134 C +ATOM 152 N LYS A 36 -9.569 17.940 -4.466 1.00 16.70 N +ANISOU 152 N LYS A 36 1767 2022 2555 -77 -745 375 N +ATOM 153 CA LYS A 36 -8.657 16.773 -4.362 1.00 18.01 C +ANISOU 153 CA LYS A 36 1842 2309 2689 238 -900 206 C +ATOM 154 C LYS A 36 -9.157 15.574 -5.186 1.00 18.81 C +ANISOU 154 C LYS A 36 1797 2192 3155 180 -493 90 C +ATOM 155 O LYS A 36 -8.394 14.946 -5.935 1.00 20.68 O +ANISOU 155 O LYS A 36 2061 3126 2670 638 -557 132 O +ATOM 156 CB LYS A 36 -8.448 16.347 -2.887 1.00 18.31 C +ANISOU 156 CB LYS A 36 1599 2682 2675 389 -979 318 C +ATOM 157 CG LYS A 36 -7.600 15.068 -2.671 1.00 27.44 C +ANISOU 157 CG LYS A 36 3756 3162 3505 1229 -1132 820 C +ATOM 158 CD LYS A 36 -7.466 14.629 -1.183 1.00 26.47 C +ANISOU 158 CD LYS A 36 4085 2674 3297 1594 -1208 432 C +ATOM 159 CE LYS A 36 -6.844 13.245 -0.985 1.00 39.07 C +ANISOU 159 CE LYS A 36 5595 4054 5196 2852 -1446 -288 C +ATOM 160 NZ LYS A 36 -5.442 13.217 -1.459 1.00 52.34 N +ANISOU 160 NZ LYS A 36 6093 6940 6853 3225 139 262 N +ATOM 161 N LEU A 37 -10.435 15.248 -4.996 1.00 16.56 N +ANISOU 161 N LEU A 37 1776 2153 2362 234 -667 87 N +ATOM 162 CA ALEU A 37 -11.074 14.181 -5.722 0.80 16.88 C +ANISOU 162 CA ALEU A 37 1831 1934 2648 -14 -398 235 C +ATOM 163 CA BLEU A 37 -11.110 14.185 -5.745 0.20 16.62 C +ANISOU 163 CA BLEU A 37 1799 1959 2556 176 -500 142 C +ATOM 164 C LEU A 37 -10.994 14.398 -7.244 1.00 15.74 C +ANISOU 164 C LEU A 37 1624 1776 2579 410 -458 276 C +ATOM 165 O LEU A 37 -10.601 13.485 -8.004 1.00 19.03 O +ANISOU 165 O LEU A 37 2199 1965 3065 613 -96 124 O +ATOM 166 CB ALEU A 37 -12.517 14.074 -5.247 0.80 18.13 C +ANISOU 166 CB ALEU A 37 1970 2398 2519 334 -185 597 C +ATOM 167 CB BLEU A 37 -12.597 14.123 -5.389 0.20 17.04 C +ANISOU 167 CB BLEU A 37 1866 2205 2402 261 -397 220 C +ATOM 168 CG ALEU A 37 -13.303 12.825 -5.576 0.80 17.96 C +ANISOU 168 CG ALEU A 37 2511 1716 2595 809 -188 178 C +ATOM 169 CG BLEU A 37 -13.025 13.500 -4.072 0.20 17.30 C +ANISOU 169 CG BLEU A 37 2257 1997 2317 341 -390 115 C +ATOM 170 CD1ALEU A 37 -14.388 12.587 -4.514 0.80 21.75 C +ANISOU 170 CD1ALEU A 37 2453 2454 3353 -180 88 444 C +ATOM 171 CD1BLEU A 37 -14.530 13.288 -4.075 0.20 16.85 C +ANISOU 171 CD1BLEU A 37 2218 2209 1975 447 69 -123 C +ATOM 172 CD2ALEU A 37 -13.907 12.941 -6.965 0.80 18.88 C +ANISOU 172 CD2ALEU A 37 1945 2082 3143 855 -633 -19 C +ATOM 173 CD2BLEU A 37 -12.296 12.182 -3.898 0.20 17.49 C +ANISOU 173 CD2BLEU A 37 1993 1921 2730 271 -543 -70 C +ATOM 174 N LEU A 38 -11.366 15.583 -7.699 1.00 14.85 N +ANISOU 174 N LEU A 38 1563 1690 2387 118 -377 288 N +ATOM 175 CA LEU A 38 -11.334 15.871 -9.128 1.00 15.76 C +ANISOU 175 CA LEU A 38 1852 1779 2357 625 -83 332 C +ATOM 176 C LEU A 38 -9.913 15.810 -9.692 1.00 17.86 C +ANISOU 176 C LEU A 38 1736 2358 2690 269 -238 464 C +ATOM 177 O LEU A 38 -9.712 15.249 -10.771 1.00 19.22 O +ANISOU 177 O LEU A 38 2253 2563 2487 376 -146 245 O +ATOM 178 CB LEU A 38 -11.965 17.248 -9.413 1.00 17.36 C +ANISOU 178 CB LEU A 38 2438 1870 2286 779 -170 323 C +ATOM 179 CG LEU A 38 -13.399 17.427 -8.890 1.00 19.92 C +ANISOU 179 CG LEU A 38 2042 1979 3544 591 -579 -8 C +ATOM 180 CD1 LEU A 38 -13.897 18.828 -9.233 1.00 21.77 C +ANISOU 180 CD1 LEU A 38 2939 2158 3172 522 -1159 404 C +ATOM 181 CD2 LEU A 38 -14.403 16.354 -9.330 1.00 21.39 C +ANISOU 181 CD2 LEU A 38 2251 2679 3194 261 -545 -43 C +ATOM 182 N LYS A 39 -8.941 16.369 -8.958 1.00 17.27 N +ANISOU 182 N LYS A 39 1581 2306 2674 156 -43 373 N +ATOM 183 CA ALYS A 39 -7.535 16.370 -9.384 0.80 20.32 C +ANISOU 183 CA ALYS A 39 1440 2772 3506 495 -174 261 C +ATOM 184 CA BLYS A 39 -7.542 16.372 -9.384 0.20 19.02 C +ANISOU 184 CA BLYS A 39 1580 2574 3072 188 -14 383 C +ATOM 185 C LYS A 39 -7.005 14.948 -9.502 1.00 20.77 C +ANISOU 185 C LYS A 39 1914 2602 3373 333 143 357 C +ATOM 186 O LYS A 39 -6.138 14.674 -10.339 1.00 22.91 O +ANISOU 186 O LYS A 39 2043 3079 3581 432 259 210 O +ATOM 187 CB ALYS A 39 -6.664 17.118 -8.365 0.80 27.22 C +ANISOU 187 CB ALYS A 39 2285 3428 4626 -285 -185 -341 C +ATOM 188 CB BLYS A 39 -6.683 17.175 -8.399 0.20 22.26 C +ANISOU 188 CB BLYS A 39 1994 3168 3295 -426 -18 381 C +ATOM 189 CG ALYS A 39 -6.998 18.593 -8.197 0.80 35.34 C +ANISOU 189 CG ALYS A 39 3461 3801 6167 -15 679 -1196 C +ATOM 190 CG BLYS A 39 -6.841 18.687 -8.504 0.20 16.46 C +ANISOU 190 CG BLYS A 39 1947 2806 1499 -1308 515 897 C +ATOM 191 CD ALYS A 39 -6.122 19.481 -9.058 0.80 46.73 C +ANISOU 191 CD ALYS A 39 4811 5447 7497 -572 819 -31 C +ATOM 192 CD BLYS A 39 -5.676 19.332 -9.235 0.20 24.97 C +ANISOU 192 CD BLYS A 39 2380 5093 2014 -1995 41 1153 C +ATOM 193 CE ALYS A 39 -6.504 20.944 -8.911 0.80 50.95 C +ANISOU 193 CE ALYS A 39 5353 5818 8184 -311 -309 -1517 C +ATOM 194 CE BLYS A 39 -5.863 20.837 -9.350 0.20 32.23 C +ANISOU 194 CE BLYS A 39 3810 4860 3573 -391 -551 914 C +ATOM 195 NZ ALYS A 39 -5.934 21.539 -7.673 0.80 45.67 N +ANISOU 195 NZ ALYS A 39 4217 5853 7283 2315 -1128 -828 N +ATOM 196 NZ BLYS A 39 -7.231 21.202 -9.814 0.20 27.20 N +ANISOU 196 NZ BLYS A 39 4825 2698 2808 -90 -1194 1608 N +ATOM 197 N SER A 40 -7.510 14.045 -8.650 1.00 20.31 N +ANISOU 197 N SER A 40 2050 2341 3323 140 -514 432 N +ATOM 198 CA SER A 40 -7.035 12.661 -8.650 1.00 20.43 C +ANISOU 198 CA SER A 40 2383 2350 3031 379 222 402 C +ATOM 199 C SER A 40 -7.358 11.925 -9.970 1.00 21.56 C +ANISOU 199 C SER A 40 2307 2703 3182 991 99 -57 C +ATOM 200 O SER A 40 -6.747 10.895 -10.276 1.00 26.02 O +ANISOU 200 O SER A 40 2461 3246 4179 1445 863 112 O +ATOM 201 CB SER A 40 -7.577 11.860 -7.450 1.00 21.29 C +ANISOU 201 CB SER A 40 2237 2438 3414 635 92 1087 C +ATOM 202 OG SER A 40 -8.902 11.408 -7.660 1.00 22.40 O +ANISOU 202 OG SER A 40 2618 2577 3313 534 -4 481 O +ATOM 203 N VAL A 41 -8.320 12.450 -10.729 1.00 20.85 N +ANISOU 203 N VAL A 41 2360 3066 2493 256 72 457 N +ATOM 204 CA VAL A 41 -8.633 11.890 -12.054 1.00 22.32 C +ANISOU 204 CA VAL A 41 2144 3185 3151 63 -201 -32 C +ATOM 205 C VAL A 41 -8.337 12.882 -13.186 1.00 25.13 C +ANISOU 205 C VAL A 41 2499 3581 3466 305 -201 220 C +ATOM 206 O VAL A 41 -8.910 12.814 -14.273 1.00 29.35 O +ANISOU 206 O VAL A 41 3330 4044 3775 -2 -700 -206 O +ATOM 207 CB VAL A 41 -10.066 11.325 -12.141 1.00 20.54 C +ANISOU 207 CB VAL A 41 2322 2422 3058 -163 330 -92 C +ATOM 208 CG1 VAL A 41 -10.173 10.030 -11.340 1.00 21.52 C +ANISOU 208 CG1 VAL A 41 1818 2620 3736 -204 654 265 C +ATOM 209 CG2 VAL A 41 -11.087 12.354 -11.688 1.00 23.39 C +ANISOU 209 CG2 VAL A 41 1924 3372 3588 126 -3 -196 C +ATOM 210 N GLY A 42 -7.410 13.792 -12.921 1.00 22.53 N +ANISOU 210 N GLY A 42 2489 2776 3293 465 444 101 N +ATOM 211 CA GLY A 42 -6.778 14.567 -13.977 1.00 26.78 C +ANISOU 211 CA GLY A 42 3437 3456 3280 434 182 797 C +ATOM 212 C GLY A 42 -7.330 15.966 -14.175 1.00 28.06 C +ANISOU 212 C GLY A 42 2937 3446 4275 442 983 535 C +ATOM 213 O GLY A 42 -6.894 16.683 -15.081 1.00 29.01 O +ANISOU 213 O GLY A 42 3508 4133 3378 649 1013 604 O +ATOM 214 N ALA A 43 -8.254 16.396 -13.328 1.00 22.63 N +ANISOU 214 N ALA A 43 2120 3158 3320 131 393 766 N +ATOM 215 CA ALA A 43 -8.718 17.778 -13.451 1.00 26.76 C +ANISOU 215 CA ALA A 43 2737 3161 4268 193 656 756 C +ATOM 216 C ALA A 43 -7.592 18.747 -13.070 1.00 31.60 C +ANISOU 216 C ALA A 43 3305 4195 4504 -193 -148 985 C +ATOM 217 O ALA A 43 -6.753 18.439 -12.215 1.00 34.55 O +ANISOU 217 O ALA A 43 3433 5076 4615 -664 -544 732 O +ATOM 218 CB ALA A 43 -9.971 18.001 -12.625 1.00 24.13 C +ANISOU 218 CB ALA A 43 2563 2942 3662 357 421 895 C +ATOM 219 N GLN A 44 -7.539 19.900 -13.722 1.00 29.02 N +ANISOU 219 N GLN A 44 2507 3463 5054 275 1068 469 N +ATOM 220 CA GLN A 44 -6.370 20.783 -13.560 1.00 36.59 C +ANISOU 220 CA GLN A 44 3982 4096 5821 -670 1429 -273 C +ATOM 221 C GLN A 44 -6.634 22.220 -13.106 1.00 38.50 C +ANISOU 221 C GLN A 44 3455 3678 7494 213 323 287 C +ATOM 222 O GLN A 44 -5.698 23.010 -12.995 1.00 49.02 O +ANISOU 222 O GLN A 44 3009 5657 9957 -236 145 408 O +ATOM 223 CB GLN A 44 -5.545 20.792 -14.848 1.00 41.85 C +ANISOU 223 CB GLN A 44 4356 5111 6431 -2 2037 642 C +ATOM 224 CG GLN A 44 -4.759 19.512 -15.064 1.00 44.13 C +ANISOU 224 CG GLN A 44 4714 5952 6101 306 1851 -252 C +ATOM 225 CD GLN A 44 -3.743 19.664 -16.160 1.00 36.81 C +ANISOU 225 CD GLN A 44 4008 5994 3984 978 487 -134 C +ATOM 226 OE1 GLN A 44 -4.096 19.773 -17.343 1.00 50.75 O +ANISOU 226 OE1 GLN A 44 7044 8120 4117 -126 -15 1012 O +ATOM 227 NE2 GLN A 44 -2.467 19.680 -15.781 1.00 47.46 N +ANISOU 227 NE2 GLN A 44 4246 6085 7699 -356 17 -545 N +ATOM 228 N LYS A 45 -7.889 22.552 -12.833 1.00 33.17 N +ANISOU 228 N LYS A 45 3195 4080 5327 -271 588 410 N +ATOM 229 CA LYS A 45 -8.305 23.942 -12.588 1.00 29.68 C +ANISOU 229 CA LYS A 45 2900 3965 4409 -455 301 758 C +ATOM 230 C LYS A 45 -8.889 24.065 -11.184 1.00 28.42 C +ANISOU 230 C LYS A 45 2999 3346 4452 -210 230 786 C +ATOM 231 O LYS A 45 -9.115 23.053 -10.528 1.00 24.06 O +ANISOU 231 O LYS A 45 2254 3049 3838 78 -356 762 O +ATOM 232 CB LYS A 45 -9.380 24.342 -13.600 1.00 36.24 C +ANISOU 232 CB LYS A 45 4538 4767 4461 -115 295 2205 C +ATOM 233 CG LYS A 45 -8.996 24.188 -15.069 1.00 47.61 C +ANISOU 233 CG LYS A 45 6243 6848 4998 1015 -54 566 C +ATOM 234 CD LYS A 45 -10.193 24.471 -15.969 1.00 47.58 C +ANISOU 234 CD LYS A 45 7347 7074 3656 241 -824 -640 C +ATOM 235 CE LYS A 45 -11.296 23.436 -15.778 1.00 54.67 C +ANISOU 235 CE LYS A 45 7562 7231 5976 165 -901 -494 C +ATOM 236 NZ LYS A 45 -12.624 23.910 -16.255 1.00 53.09 N +ANISOU 236 NZ LYS A 45 6576 4874 8722 -368 692 905 N +ATOM 237 N ASP A 46 -9.156 25.298 -10.746 1.00 22.74 N +ANISOU 237 N ASP A 46 1776 3451 3410 -403 -182 290 N +ATOM 238 CA ASP A 46 -9.816 25.549 -9.469 1.00 22.20 C +ANISOU 238 CA ASP A 46 2133 2657 3643 -225 -304 331 C +ATOM 239 C ASP A 46 -11.323 25.763 -9.624 1.00 20.26 C +ANISOU 239 C ASP A 46 2049 2865 2781 -447 -609 1194 C +ATOM 240 O ASP A 46 -12.053 25.720 -8.632 1.00 21.43 O +ANISOU 240 O ASP A 46 2362 2615 3162 -634 -373 693 O +ATOM 241 CB ASP A 46 -9.221 26.800 -8.802 1.00 27.42 C +ANISOU 241 CB ASP A 46 2734 3165 4518 -862 -834 210 C +ATOM 242 CG ASP A 46 -7.786 26.592 -8.336 1.00 34.01 C +ANISOU 242 CG ASP A 46 2796 3390 6734 -470 -997 586 C +ATOM 243 OD1 ASP A 46 -7.444 25.474 -7.892 1.00 33.09 O +ANISOU 243 OD1 ASP A 46 2422 4588 5560 -202 -960 1587 O +ATOM 244 OD2 ASP A 46 -6.996 27.557 -8.405 1.00 43.70 O +ANISOU 244 OD2 ASP A 46 2779 5750 8072 -1718 -842 543 O +ATOM 245 N THR A 47 -11.781 26.071 -10.845 1.00 17.73 N +ANISOU 245 N THR A 47 1742 2510 2484 -311 -506 399 N +ATOM 246 CA THR A 47 -13.216 26.316 -11.078 1.00 15.76 C +ANISOU 246 CA THR A 47 1837 1811 2339 -328 -658 380 C +ATOM 247 C THR A 47 -13.683 25.483 -12.252 1.00 17.16 C +ANISOU 247 C THR A 47 2073 2099 2347 -338 -509 369 C +ATOM 248 O THR A 47 -12.905 25.234 -13.162 1.00 20.22 O +ANISOU 248 O THR A 47 2311 2482 2888 -44 129 712 O +ATOM 249 CB THR A 47 -13.522 27.801 -11.344 1.00 18.68 C +ANISOU 249 CB THR A 47 2611 1950 2534 -221 -480 689 C +ATOM 250 OG1 THR A 47 -12.814 28.268 -12.496 1.00 23.64 O +ANISOU 250 OG1 THR A 47 2992 2440 3548 -763 -141 946 O +ATOM 251 CG2 THR A 47 -13.095 28.643 -10.135 1.00 23.97 C +ANISOU 251 CG2 THR A 47 3695 2819 2591 -355 -900 357 C +ATOM 252 N TYR A 48 -14.947 25.046 -12.211 1.00 16.31 N +ANISOU 252 N TYR A 48 2019 1892 2283 -427 -676 537 N +ATOM 253 CA TYR A 48 -15.509 24.142 -13.216 1.00 15.12 C +ANISOU 253 CA TYR A 48 1959 1816 1969 133 -724 419 C +ATOM 254 C TYR A 48 -16.980 24.461 -13.392 1.00 14.39 C +ANISOU 254 C TYR A 48 1876 1721 1869 189 -464 463 C +ATOM 255 O TYR A 48 -17.618 24.954 -12.456 1.00 17.68 O +ANISOU 255 O TYR A 48 2049 2311 2356 206 -388 100 O +ATOM 256 CB TYR A 48 -15.462 22.705 -12.691 1.00 17.93 C +ANISOU 256 CB TYR A 48 2177 1753 2881 112 -524 375 C +ATOM 257 CG TYR A 48 -14.063 22.223 -12.426 1.00 22.80 C +ANISOU 257 CG TYR A 48 2134 2752 3777 21 -673 441 C +ATOM 258 CD1 TYR A 48 -13.458 22.436 -11.166 1.00 21.36 C +ANISOU 258 CD1 TYR A 48 2250 2451 3414 -255 -501 981 C +ATOM 259 CD2 TYR A 48 -13.331 21.600 -13.410 1.00 26.80 C +ANISOU 259 CD2 TYR A 48 1981 3103 5099 -4 -311 -116 C +ATOM 260 CE1 TYR A 48 -12.182 22.003 -10.899 1.00 24.00 C +ANISOU 260 CE1 TYR A 48 2320 2684 4114 -104 -444 505 C +ATOM 261 CE2 TYR A 48 -12.018 21.160 -13.152 1.00 27.16 C +ANISOU 261 CE2 TYR A 48 2566 3311 4440 697 -803 311 C +ATOM 262 CZ TYR A 48 -11.459 21.369 -11.909 1.00 25.51 C +ANISOU 262 CZ TYR A 48 2449 2766 4478 56 -283 82 C +ATOM 263 OH TYR A 48 -10.179 20.943 -11.641 1.00 28.46 O +ANISOU 263 OH TYR A 48 2644 4340 3829 503 -197 483 O +ATOM 264 N THR A 49 -17.571 24.105 -14.525 1.00 14.72 N +ANISOU 264 N THR A 49 1839 1746 2006 162 -531 486 N +ATOM 265 CA THR A 49 -19.054 24.098 -14.542 1.00 14.61 C +ANISOU 265 CA THR A 49 1886 2042 1623 245 -312 484 C +ATOM 266 C THR A 49 -19.559 22.870 -13.769 1.00 14.96 C +ANISOU 266 C THR A 49 2029 1780 1872 184 -301 331 C +ATOM 267 O THR A 49 -18.813 21.881 -13.564 1.00 14.38 O +ANISOU 267 O THR A 49 1777 1828 1858 228 -429 68 O +ATOM 268 CB THR A 49 -19.609 24.015 -15.960 1.00 17.21 C +ANISOU 268 CB THR A 49 2829 2054 1655 101 -511 274 C +ATOM 269 OG1 THR A 49 -19.184 22.772 -16.543 1.00 16.36 O +ANISOU 269 OG1 THR A 49 2464 2055 1697 70 -237 317 O +ATOM 270 CG2 THR A 49 -19.132 25.216 -16.808 1.00 21.46 C +ANISOU 270 CG2 THR A 49 2948 2580 2622 -113 -424 841 C +ATOM 271 N MET A 50 -20.827 22.893 -13.358 1.00 14.11 N +ANISOU 271 N MET A 50 2028 1920 1413 148 -364 342 N +ATOM 272 CA MET A 50 -21.381 21.712 -12.683 1.00 13.67 C +ANISOU 272 CA MET A 50 1897 1723 1571 9 -221 155 C +ATOM 273 C MET A 50 -21.291 20.468 -13.595 1.00 13.47 C +ANISOU 273 C MET A 50 1948 1716 1450 21 -341 193 C +ATOM 274 O MET A 50 -20.989 19.353 -13.127 1.00 14.75 O +ANISOU 274 O MET A 50 1818 1992 1793 323 -204 300 O +ATOM 275 CB MET A 50 -22.835 21.950 -12.203 1.00 15.30 C +ANISOU 275 CB MET A 50 1864 2217 1729 519 -489 -293 C +ATOM 276 CG MET A 50 -22.918 22.827 -10.954 1.00 18.31 C +ANISOU 276 CG MET A 50 2820 2453 1683 199 -544 -322 C +ATOM 277 SD MET A 50 -22.226 22.016 -9.473 1.00 19.54 S +ANISOU 277 SD MET A 50 2305 3052 2067 -629 -613 277 S +ATOM 278 CE MET A 50 -23.601 20.990 -8.957 1.00 17.17 C +ANISOU 278 CE MET A 50 1958 2319 2245 -435 -652 127 C +ATOM 279 N LYS A 51 -21.540 20.653 -14.902 1.00 14.69 N +ANISOU 279 N LYS A 51 2101 2075 1404 98 -272 -40 N +ATOM 280 CA ALYS A 51 -21.438 19.548 -15.839 0.50 15.78 C +ANISOU 280 CA ALYS A 51 2495 2051 1447 303 -191 -24 C +ATOM 281 CA BLYS A 51 -21.430 19.558 -15.856 0.50 16.14 C +ANISOU 281 CA BLYS A 51 2525 2066 1538 332 -203 -69 C +ATOM 282 C LYS A 51 -20.030 18.919 -15.810 1.00 16.15 C +ANISOU 282 C LYS A 51 2310 1996 1830 72 -569 36 C +ATOM 283 O LYS A 51 -19.888 17.686 -15.854 1.00 15.66 O +ANISOU 283 O LYS A 51 2458 1912 1578 119 0 276 O +ATOM 284 CB ALYS A 51 -21.839 19.987 -17.256 0.50 17.96 C +ANISOU 284 CB ALYS A 51 3086 2147 1590 413 -463 11 C +ATOM 285 CB BLYS A 51 -21.786 20.025 -17.279 0.50 19.05 C +ANISOU 285 CB BLYS A 51 3297 2220 1719 407 -590 -23 C +ATOM 286 CG ALYS A 51 -22.098 18.826 -18.209 0.50 20.04 C +ANISOU 286 CG ALYS A 51 3239 2627 1746 179 -534 -207 C +ATOM 287 CG BLYS A 51 -21.732 18.915 -18.324 0.50 22.99 C +ANISOU 287 CG BLYS A 51 3790 2664 2278 463 -561 -473 C +ATOM 288 CD ALYS A 51 -22.588 19.321 -19.564 0.50 25.57 C +ANISOU 288 CD ALYS A 51 3420 4305 1989 119 -1138 -130 C +ATOM 289 CD BLYS A 51 -22.379 19.328 -19.639 0.50 30.62 C +ANISOU 289 CD BLYS A 51 4244 4696 2692 -28 -1334 -320 C +ATOM 290 CE ALYS A 51 -22.693 18.168 -20.541 0.50 31.73 C +ANISOU 290 CE ALYS A 51 4733 4145 3178 265 -1168 -447 C +ATOM 291 CE BLYS A 51 -22.190 18.235 -20.677 0.50 39.41 C +ANISOU 291 CE BLYS A 51 5773 5032 4167 20 -1349 -1117 C +ATOM 292 NZ ALYS A 51 -23.177 18.626 -21.871 0.50 31.08 N +ANISOU 292 NZ ALYS A 51 4608 3958 3241 726 -1177 -399 N +ATOM 293 NZ BLYS A 51 -22.549 16.895 -20.131 0.50 40.66 N +ANISOU 293 NZ BLYS A 51 5817 4672 4959 160 -569 -1281 N +ATOM 294 N GLU A 52 -18.987 19.758 -15.755 1.00 14.80 N +ANISOU 294 N GLU A 52 1974 2066 1583 182 -212 71 N +ATOM 295 CA GLU A 52 -17.600 19.258 -15.634 1.00 16.60 C +ANISOU 295 CA GLU A 52 2109 2284 1915 119 -18 383 C +ATOM 296 C GLU A 52 -17.376 18.531 -14.312 1.00 14.00 C +ANISOU 296 C GLU A 52 1902 1900 1517 120 -160 -48 C +ATOM 297 O GLU A 52 -16.707 17.493 -14.271 1.00 14.90 O +ANISOU 297 O GLU A 52 2244 1903 1511 218 -126 429 O +ATOM 298 CB GLU A 52 -16.591 20.404 -15.804 1.00 16.15 C +ANISOU 298 CB GLU A 52 2405 2137 1591 -23 287 413 C +ATOM 299 CG GLU A 52 -16.484 20.903 -17.229 1.00 20.95 C +ANISOU 299 CG GLU A 52 3135 2901 1924 156 582 919 C +ATOM 300 CD GLU A 52 -15.692 22.195 -17.368 1.00 26.18 C +ANISOU 300 CD GLU A 52 4001 3361 2585 -498 970 347 C +ATOM 301 OE1 GLU A 52 -15.714 23.017 -16.441 1.00 23.79 O +ANISOU 301 OE1 GLU A 52 3655 3024 2360 -556 449 599 O +ATOM 302 OE2 GLU A 52 -15.068 22.409 -18.436 0.50 27.20 O +ANISOU 302 OE2 GLU A 52 4138 3198 2995 -1739 1307 450 O +ATOM 303 N VAL A 53 -17.917 19.079 -13.210 1.00 13.20 N +ANISOU 303 N VAL A 53 1951 1894 1169 29 -207 182 N +ATOM 304 CA VAL A 53 -17.792 18.386 -11.901 1.00 12.43 C +ANISOU 304 CA VAL A 53 1826 1557 1339 152 -193 259 C +ATOM 305 C VAL A 53 -18.381 16.981 -11.992 1.00 12.23 C +ANISOU 305 C VAL A 53 1700 1714 1233 159 -353 141 C +ATOM 306 O VAL A 53 -17.753 16.006 -11.556 1.00 13.36 O +ANISOU 306 O VAL A 53 1866 1557 1650 248 -288 160 O +ATOM 307 CB VAL A 53 -18.443 19.191 -10.752 1.00 12.85 C +ANISOU 307 CB VAL A 53 2051 1348 1481 45 -96 314 C +ATOM 308 CG1 VAL A 53 -18.390 18.383 -9.469 1.00 13.15 C +ANISOU 308 CG1 VAL A 53 1605 1885 1505 182 -370 521 C +ATOM 309 CG2 VAL A 53 -17.706 20.522 -10.552 1.00 13.54 C +ANISOU 309 CG2 VAL A 53 1692 1489 1963 33 -124 -81 C +ATOM 310 N LEU A 54 -19.561 16.862 -12.612 1.00 12.17 N +ANISOU 310 N LEU A 54 1592 1691 1341 -144 -318 79 N +ATOM 311 CA LEU A 54 -20.178 15.536 -12.774 1.00 14.04 C +ANISOU 311 CA LEU A 54 1779 1835 1721 -60 -571 -263 C +ATOM 312 C LEU A 54 -19.363 14.610 -13.652 1.00 15.18 C +ANISOU 312 C LEU A 54 1971 1911 1885 91 -147 132 C +ATOM 313 O LEU A 54 -19.278 13.405 -13.373 1.00 16.02 O +ANISOU 313 O LEU A 54 2276 1731 2078 368 -572 -14 O +ATOM 314 CB LEU A 54 -21.606 15.693 -13.328 1.00 13.90 C +ANISOU 314 CB LEU A 54 1752 1856 1670 118 -519 221 C +ATOM 315 CG LEU A 54 -22.710 15.828 -12.277 1.00 14.83 C +ANISOU 315 CG LEU A 54 2440 1458 1733 -285 -30 -34 C +ATOM 316 CD1 LEU A 54 -22.787 14.614 -11.326 1.00 14.86 C +ANISOU 316 CD1 LEU A 54 2395 1606 1643 -167 -473 49 C +ATOM 317 CD2 LEU A 54 -22.487 17.114 -11.509 1.00 15.87 C +ANISOU 317 CD2 LEU A 54 2592 1486 1950 -163 16 -106 C +ATOM 318 N PHE A 55 -18.751 15.157 -14.712 1.00 15.46 N +ANISOU 318 N PHE A 55 2096 1931 1847 113 -132 145 N +ATOM 319 CA PHE A 55 -17.897 14.332 -15.573 1.00 15.52 C +ANISOU 319 CA PHE A 55 1828 2242 1826 111 -23 283 C +ATOM 320 C PHE A 55 -16.752 13.736 -14.759 1.00 16.22 C +ANISOU 320 C PHE A 55 2347 2005 1811 246 -344 -47 C +ATOM 321 O PHE A 55 -16.466 12.540 -14.820 1.00 18.75 O +ANISOU 321 O PHE A 55 2960 2153 2010 691 -353 234 O +ATOM 322 CB PHE A 55 -17.333 15.181 -16.707 1.00 17.06 C +ANISOU 322 CB PHE A 55 2378 2438 1666 263 181 196 C +ATOM 323 CG PHE A 55 -16.285 14.473 -17.502 1.00 21.18 C +ANISOU 323 CG PHE A 55 2933 3096 2017 847 222 -44 C +ATOM 324 CD1 PHE A 55 -16.650 13.545 -18.469 1.00 26.81 C +ANISOU 324 CD1 PHE A 55 4191 3190 2803 1062 -4 -261 C +ATOM 325 CD2 PHE A 55 -14.929 14.681 -17.228 1.00 22.41 C +ANISOU 325 CD2 PHE A 55 2958 3211 2345 594 259 457 C +ATOM 326 CE1 PHE A 55 -15.678 12.859 -19.186 1.00 29.79 C +ANISOU 326 CE1 PHE A 55 4320 3688 3310 1197 416 -295 C +ATOM 327 CE2 PHE A 55 -13.957 13.997 -17.933 1.00 27.78 C +ANISOU 327 CE2 PHE A 55 3775 3297 3483 857 72 -428 C +ATOM 328 CZ PHE A 55 -14.335 13.094 -18.922 1.00 32.42 C +ANISOU 328 CZ PHE A 55 4527 4330 3459 984 756 -1250 C +ATOM 329 N TYR A 56 -16.064 14.580 -14.009 1.00 14.56 N +ANISOU 329 N TYR A 56 2028 2087 1415 223 -338 10 N +ATOM 330 CA TYR A 56 -14.920 14.060 -13.228 1.00 16.29 C +ANISOU 330 CA TYR A 56 2032 2074 2083 1 -461 183 C +ATOM 331 C TYR A 56 -15.326 13.149 -12.075 1.00 16.29 C +ANISOU 331 C TYR A 56 2257 1846 2084 392 -163 51 C +ATOM 332 O TYR A 56 -14.615 12.185 -11.784 1.00 15.02 O +ANISOU 332 O TYR A 56 1969 1535 2201 219 141 185 O +ATOM 333 CB TYR A 56 -14.063 15.216 -12.730 1.00 16.34 C +ANISOU 333 CB TYR A 56 2024 2124 2061 -256 -124 251 C +ATOM 334 CG TYR A 56 -13.246 15.850 -13.847 1.00 19.35 C +ANISOU 334 CG TYR A 56 2283 2439 2630 -105 409 448 C +ATOM 335 CD1 TYR A 56 -12.200 15.154 -14.457 1.00 23.33 C +ANISOU 335 CD1 TYR A 56 2833 2864 3165 348 433 113 C +ATOM 336 CD2 TYR A 56 -13.506 17.160 -14.268 1.00 18.97 C +ANISOU 336 CD2 TYR A 56 2538 2251 2416 -404 71 391 C +ATOM 337 CE1 TYR A 56 -11.438 15.739 -15.466 1.00 26.23 C +ANISOU 337 CE1 TYR A 56 2883 3579 3502 179 553 109 C +ATOM 338 CE2 TYR A 56 -12.759 17.741 -15.284 1.00 24.67 C +ANISOU 338 CE2 TYR A 56 3133 3561 2680 -149 785 302 C +ATOM 339 CZ TYR A 56 -11.732 17.026 -15.874 1.00 28.60 C +ANISOU 339 CZ TYR A 56 3486 3827 3551 -169 1143 576 C +ATOM 340 OH TYR A 56 -11.005 17.631 -16.859 1.00 33.24 O +ANISOU 340 OH TYR A 56 3913 4345 4370 -276 1504 1118 O +ATOM 341 N LEU A 57 -16.448 13.446 -11.411 1.00 13.76 N +ANISOU 341 N LEU A 57 1938 1701 1590 71 -292 78 N +ATOM 342 CA ALEU A 57 -16.943 12.529 -10.365 0.80 13.84 C +ANISOU 342 CA ALEU A 57 2047 1508 1702 288 43 -12 C +ATOM 343 CA BLEU A 57 -16.987 12.565 -10.385 0.20 13.71 C +ANISOU 343 CA BLEU A 57 1990 1575 1642 256 -93 21 C +ATOM 344 C LEU A 57 -17.272 11.197 -11.002 1.00 13.42 C +ANISOU 344 C LEU A 57 1963 1569 1567 472 -176 -21 C +ATOM 345 O LEU A 57 -16.991 10.183 -10.428 1.00 13.47 O +ANISOU 345 O LEU A 57 1899 1587 1629 403 -104 49 O +ATOM 346 CB ALEU A 57 -18.195 13.045 -9.658 0.80 16.48 C +ANISOU 346 CB ALEU A 57 1849 2163 2247 217 27 -291 C +ATOM 347 CB BLEU A 57 -18.270 13.164 -9.812 0.20 14.24 C +ANISOU 347 CB BLEU A 57 1966 1703 1741 196 -57 -48 C +ATOM 348 CG ALEU A 57 -18.016 14.137 -8.621 0.80 14.32 C +ANISOU 348 CG ALEU A 57 1431 2086 1920 222 -246 -67 C +ATOM 349 CG BLEU A 57 -18.811 12.546 -8.530 0.20 13.28 C +ANISOU 349 CG BLEU A 57 2009 1306 1731 331 -128 17 C +ATOM 350 CD1ALEU A 57 -19.365 14.744 -8.217 0.80 16.63 C +ANISOU 350 CD1ALEU A 57 2066 1964 2289 578 250 -93 C +ATOM 351 CD1BLEU A 57 -17.685 12.314 -7.544 0.20 14.50 C +ANISOU 351 CD1BLEU A 57 2148 1524 1834 214 -274 26 C +ATOM 352 CD2ALEU A 57 -17.309 13.555 -7.407 0.80 19.69 C +ANISOU 352 CD2ALEU A 57 3185 2661 1635 391 -667 -112 C +ATOM 353 CD2BLEU A 57 -19.873 13.451 -7.923 0.20 12.64 C +ANISOU 353 CD2BLEU A 57 1739 1213 1850 278 -404 -92 C +ATOM 354 N GLY A 58 -17.881 11.195 -12.188 1.00 14.25 N +ANISOU 354 N GLY A 58 2266 1724 1421 390 -272 -38 N +ATOM 355 CA GLY A 58 -18.175 9.933 -12.879 1.00 15.10 C +ANISOU 355 CA GLY A 58 2042 2026 1668 226 -169 -245 C +ATOM 356 C GLY A 58 -16.906 9.176 -13.180 1.00 15.09 C +ANISOU 356 C GLY A 58 2244 1684 1805 327 -76 -64 C +ATOM 357 O GLY A 58 -16.863 7.962 -12.974 1.00 15.91 O +ANISOU 357 O GLY A 58 2495 1585 1964 415 -407 -203 O +ATOM 358 N GLN A 59 -15.856 9.885 -13.623 1.00 15.83 N +ANISOU 358 N GLN A 59 2242 1907 1865 391 -62 -56 N +ATOM 359 CA AGLN A 59 -14.567 9.246 -13.901 0.50 16.61 C +ANISOU 359 CA AGLN A 59 2078 2114 2118 276 22 175 C +ATOM 360 CA BGLN A 59 -14.541 9.277 -13.898 0.50 16.52 C +ANISOU 360 CA BGLN A 59 2074 2063 2140 265 -8 154 C +ATOM 361 C GLN A 59 -13.975 8.634 -12.629 1.00 16.89 C +ANISOU 361 C GLN A 59 2344 1956 2115 591 -58 -76 C +ATOM 362 O GLN A 59 -13.421 7.525 -12.653 1.00 17.86 O +ANISOU 362 O GLN A 59 2601 1885 2298 612 396 142 O +ATOM 363 CB AGLN A 59 -13.613 10.255 -14.540 0.50 22.46 C +ANISOU 363 CB AGLN A 59 2962 2877 2694 -112 623 422 C +ATOM 364 CB BGLN A 59 -13.555 10.336 -14.412 0.50 21.05 C +ANISOU 364 CB BGLN A 59 2646 2601 2749 -85 479 215 C +ATOM 365 CG AGLN A 59 -13.878 10.422 -16.025 0.50 27.61 C +ANISOU 365 CG AGLN A 59 3793 4098 2599 -358 861 -7 C +ATOM 366 CG BGLN A 59 -13.759 10.778 -15.854 0.50 25.33 C +ANISOU 366 CG BGLN A 59 3674 3139 2809 -125 146 -7 C +ATOM 367 CD AGLN A 59 -13.336 9.251 -16.816 0.50 33.08 C +ANISOU 367 CD AGLN A 59 4991 4549 3028 42 594 -633 C +ATOM 368 CD BGLN A 59 -12.461 11.274 -16.472 0.50 30.06 C +ANISOU 368 CD BGLN A 59 4121 3463 3838 -527 706 -262 C +ATOM 369 OE1AGLN A 59 -12.158 9.222 -17.163 0.50 39.26 O +ANISOU 369 OE1AGLN A 59 5124 5515 4276 235 781 -1721 O +ATOM 370 OE1BGLN A 59 -11.679 11.971 -15.820 0.50 35.52 O +ANISOU 370 OE1BGLN A 59 5006 4224 4265 -500 -331 -352 O +ATOM 371 NE2AGLN A 59 -14.189 8.274 -17.096 0.50 35.18 N +ANISOU 371 NE2AGLN A 59 4693 5743 2930 -347 886 -641 N +ATOM 372 NE2BGLN A 59 -12.219 10.908 -17.728 0.50 31.89 N +ANISOU 372 NE2BGLN A 59 4543 3794 3777 400 -1077 -1160 N +ATOM 373 N TYR A 60 -14.111 9.349 -11.517 1.00 16.08 N +ANISOU 373 N TYR A 60 2232 2124 1753 306 63 51 N +ATOM 374 CA TYR A 60 -13.626 8.859 -10.232 1.00 14.67 C +ANISOU 374 CA TYR A 60 1945 1832 1794 259 -207 -170 C +ATOM 375 C TYR A 60 -14.342 7.568 -9.804 1.00 16.46 C +ANISOU 375 C TYR A 60 1931 1926 2396 471 -272 136 C +ATOM 376 O TYR A 60 -13.697 6.572 -9.389 1.00 16.83 O +ANISOU 376 O TYR A 60 2274 2089 2031 587 -375 205 O +ATOM 377 CB TYR A 60 -13.809 9.966 -9.211 1.00 14.37 C +ANISOU 377 CB TYR A 60 2128 1362 1969 397 -482 -92 C +ATOM 378 CG TYR A 60 -13.387 9.609 -7.799 1.00 15.32 C +ANISOU 378 CG TYR A 60 1927 1769 2122 549 -480 183 C +ATOM 379 CD1 TYR A 60 -12.071 9.792 -7.383 1.00 15.79 C +ANISOU 379 CD1 TYR A 60 1841 1867 2290 430 -428 156 C +ATOM 380 CD2 TYR A 60 -14.314 9.102 -6.870 1.00 16.61 C +ANISOU 380 CD2 TYR A 60 2314 1742 2255 594 -310 266 C +ATOM 381 CE1 TYR A 60 -11.672 9.489 -6.075 1.00 16.07 C +ANISOU 381 CE1 TYR A 60 1954 1810 2339 154 -661 181 C +ATOM 382 CE2 TYR A 60 -13.924 8.789 -5.567 1.00 17.80 C +ANISOU 382 CE2 TYR A 60 2249 2078 2433 401 -767 172 C +ATOM 383 CZ TYR A 60 -12.595 8.982 -5.180 1.00 17.14 C +ANISOU 383 CZ TYR A 60 2164 1858 2491 151 -575 -16 C +ATOM 384 OH TYR A 60 -12.199 8.670 -3.896 1.00 19.94 O +ANISOU 384 OH TYR A 60 2251 2282 3040 28 -1042 260 O +ATOM 385 N ILE A 61 -15.674 7.569 -9.915 1.00 14.03 N +ANISOU 385 N ILE A 61 1777 1593 1957 175 -98 29 N +ATOM 386 CA ILE A 61 -16.456 6.356 -9.618 1.00 12.84 C +ANISOU 386 CA ILE A 61 1641 1440 1796 285 -317 9 C +ATOM 387 C ILE A 61 -16.059 5.165 -10.485 1.00 15.20 C +ANISOU 387 C ILE A 61 2313 1563 1899 405 -125 -11 C +ATOM 388 O ILE A 61 -15.937 4.027 -10.009 1.00 18.05 O +ANISOU 388 O ILE A 61 2814 1904 2137 800 -235 256 O +ATOM 389 CB ILE A 61 -17.969 6.691 -9.788 1.00 13.26 C +ANISOU 389 CB ILE A 61 1530 1412 2096 316 -242 -12 C +ATOM 390 CG1 ILE A 61 -18.430 7.590 -8.639 1.00 15.01 C +ANISOU 390 CG1 ILE A 61 2017 1437 2247 617 -196 29 C +ATOM 391 CG2 ILE A 61 -18.851 5.432 -9.960 1.00 14.62 C +ANISOU 391 CG2 ILE A 61 2056 1471 2028 90 -241 185 C +ATOM 392 CD1 ILE A 61 -19.742 8.318 -8.929 1.00 14.67 C +ANISOU 392 CD1 ILE A 61 1773 1715 2087 648 204 201 C +ATOM 393 N MET A 62 -15.818 5.407 -11.764 1.00 16.49 N +ANISOU 393 N MET A 62 2466 1834 1964 274 -33 -308 N +ATOM 394 CA MET A 62 -15.409 4.306 -12.649 1.00 16.93 C +ANISOU 394 CA MET A 62 2717 1896 1817 785 203 -91 C +ATOM 395 C MET A 62 -14.000 3.792 -12.353 1.00 19.20 C +ANISOU 395 C MET A 62 2879 1753 2664 928 101 -189 C +ATOM 396 O MET A 62 -13.768 2.577 -12.364 1.00 24.13 O +ANISOU 396 O MET A 62 3851 1797 3518 1257 -183 -228 O +ATOM 397 CB MET A 62 -15.533 4.726 -14.136 1.00 18.01 C +ANISOU 397 CB MET A 62 2898 2115 1828 955 -102 -109 C +ATOM 398 CG MET A 62 -16.932 5.133 -14.589 1.00 19.50 C +ANISOU 398 CG MET A 62 2893 1847 2666 363 -573 161 C +ATOM 399 SD MET A 62 -18.184 3.903 -14.223 1.00 22.09 S +ANISOU 399 SD MET A 62 3149 2313 2930 189 4 -46 S +ATOM 400 CE MET A 62 -17.679 2.577 -15.326 1.00 27.05 C +ANISOU 400 CE MET A 62 4079 2362 3835 -901 -616 -1322 C +ATOM 401 N THR A 63 -13.067 4.717 -12.093 1.00 20.09 N +ANISOU 401 N THR A 63 2461 2210 2961 791 117 29 N +ATOM 402 CA THR A 63 -11.663 4.405 -11.797 1.00 23.17 C +ANISOU 402 CA THR A 63 2864 2302 3635 1066 -275 453 C +ATOM 403 C THR A 63 -11.544 3.603 -10.508 1.00 23.62 C +ANISOU 403 C THR A 63 3217 2441 3313 1198 -106 278 C +ATOM 404 O THR A 63 -10.791 2.621 -10.455 1.00 27.28 O +ANISOU 404 O THR A 63 3342 2841 4181 1525 43 550 O +ATOM 405 CB THR A 63 -10.803 5.704 -11.716 1.00 25.07 C +ANISOU 405 CB THR A 63 2627 3021 3877 483 -254 360 C +ATOM 406 OG1 THR A 63 -10.809 6.342 -12.998 1.00 29.29 O +ANISOU 406 OG1 THR A 63 3226 3413 4489 -41 174 668 O +ATOM 407 CG2 THR A 63 -9.360 5.423 -11.332 1.00 32.50 C +ANISOU 407 CG2 THR A 63 2955 3674 5718 995 -330 758 C +ATOM 408 N LYS A 64 -12.298 3.998 -9.484 1.00 22.91 N +ANISOU 408 N LYS A 64 2718 2620 3365 632 33 397 N +ATOM 409 CA LYS A 64 -12.250 3.308 -8.193 1.00 22.69 C +ANISOU 409 CA LYS A 64 2380 2604 3634 919 -535 474 C +ATOM 410 C LYS A 64 -13.254 2.155 -8.085 1.00 24.11 C +ANISOU 410 C LYS A 64 3415 2239 3507 629 -428 161 C +ATOM 411 O LYS A 64 -13.351 1.489 -7.033 1.00 23.48 O +ANISOU 411 O LYS A 64 3096 2146 3677 853 -300 427 O +ATOM 412 CB LYS A 64 -12.454 4.288 -7.044 1.00 24.23 C +ANISOU 412 CB LYS A 64 2669 2629 3905 482 -786 213 C +ATOM 413 CG LYS A 64 -11.319 5.278 -6.906 1.00 27.70 C +ANISOU 413 CG LYS A 64 3098 3089 4336 -65 -391 22 C +ATOM 414 CD LYS A 64 -11.369 5.913 -5.546 1.00 30.06 C +ANISOU 414 CD LYS A 64 3760 3493 4168 452 -1117 -35 C +ATOM 415 CE LYS A 64 -10.432 5.268 -4.549 1.00 30.71 C +ANISOU 415 CE LYS A 64 2683 3977 5008 1332 -890 -508 C +ATOM 416 NZ LYS A 64 -10.377 6.203 -3.384 1.00 30.44 N +ANISOU 416 NZ LYS A 64 2493 3995 5078 520 -929 -638 N +ATOM 417 N ARG A 65 -13.981 1.919 -9.168 1.00 20.28 N +ANISOU 417 N ARG A 65 2992 1980 2733 848 94 -3 N +ATOM 418 CA ARG A 65 -14.936 0.795 -9.240 1.00 23.07 C +ANISOU 418 CA ARG A 65 3978 1821 2963 826 45 -149 C +ATOM 419 C ARG A 65 -15.971 0.846 -8.101 1.00 21.86 C +ANISOU 419 C ARG A 65 3539 1844 2921 1158 -206 184 C +ATOM 420 O ARG A 65 -16.259 -0.158 -7.454 1.00 22.60 O +ANISOU 420 O ARG A 65 3718 1970 2897 767 -105 90 O +ATOM 421 CB ARG A 65 -14.188 -0.565 -9.310 1.00 26.46 C +ANISOU 421 CB ARG A 65 3971 2171 3910 1174 384 149 C +ATOM 422 CG ARG A 65 -13.310 -0.709 -10.552 1.00 31.62 C +ANISOU 422 CG ARG A 65 4639 2847 4526 1238 772 -690 C +ATOM 423 CD ARG A 65 -13.025 -2.172 -10.861 0.50 34.39 C +ANISOU 423 CD ARG A 65 5260 3522 4284 2382 883 -1168 C +ATOM 424 NE ARG A 65 -11.811 -2.646 -10.210 0.50 48.05 N +ANISOU 424 NE ARG A 65 5670 5163 7422 1175 -1062 -782 N +ATOM 425 CZ ARG A 65 -11.370 -3.899 -10.287 0.50 52.27 C +ANISOU 425 CZ ARG A 65 7271 5508 7080 1789 -703 -1399 C +ATOM 426 NH1 ARG A 65 -12.053 -4.800 -10.981 0.50 53.80 N +ANISOU 426 NH1 ARG A 65 6732 4659 9047 723 -622 -362 N +ATOM 427 NH2 ARG A 65 -10.253 -4.252 -9.669 0.50 57.07 N +ANISOU 427 NH2 ARG A 65 7837 5859 7987 420 -2027 -733 N +ATOM 428 N LEU A 66 -16.568 2.026 -7.899 1.00 19.58 N +ANISOU 428 N LEU A 66 3316 1729 2393 859 -282 -39 N +ATOM 429 CA LEU A 66 -17.564 2.217 -6.852 1.00 15.96 C +ANISOU 429 CA LEU A 66 2596 1459 2009 525 -547 -341 C +ATOM 430 C LEU A 66 -18.941 1.808 -7.371 1.00 17.95 C +ANISOU 430 C LEU A 66 2784 2281 1754 543 -954 -39 C +ATOM 431 O LEU A 66 -19.939 1.920 -6.663 1.00 21.37 O +ANISOU 431 O LEU A 66 2939 2809 2369 -176 -674 -980 O +ATOM 432 CB LEU A 66 -17.580 3.691 -6.334 1.00 16.49 C +ANISOU 432 CB LEU A 66 2614 1161 2487 32 -766 25 C +ATOM 433 CG LEU A 66 -16.209 4.221 -5.858 1.00 16.00 C +ANISOU 433 CG LEU A 66 2440 1496 2141 214 -885 88 C +ATOM 434 CD1 LEU A 66 -16.339 5.660 -5.345 1.00 18.27 C +ANISOU 434 CD1 LEU A 66 2952 1914 2074 446 -479 -351 C +ATOM 435 CD2 LEU A 66 -15.674 3.276 -4.787 1.00 17.28 C +ANISOU 435 CD2 LEU A 66 2456 1631 2475 641 -914 72 C +ATOM 436 N TYR A 67 -18.996 1.400 -8.641 1.00 20.02 N +ANISOU 436 N TYR A 67 3142 2087 2375 659 -1008 -912 N +ATOM 437 CA TYR A 67 -20.209 0.799 -9.227 1.00 20.32 C +ANISOU 437 CA TYR A 67 3519 1937 2263 -104 -671 -478 C +ATOM 438 C TYR A 67 -20.465 -0.660 -8.739 1.00 21.05 C +ANISOU 438 C TYR A 67 3371 1913 2714 516 -686 -211 C +ATOM 439 O TYR A 67 -19.565 -1.302 -8.178 1.00 26.68 O +ANISOU 439 O TYR A 67 4605 2252 3279 1189 -1428 -832 O +ATOM 440 CB TYR A 67 -20.136 0.891 -10.757 1.00 20.67 C +ANISOU 440 CB TYR A 67 3548 1916 2390 663 -798 -199 C +ATOM 441 CG TYR A 67 -18.927 0.229 -11.390 1.00 22.02 C +ANISOU 441 CG TYR A 67 3598 2236 2531 794 -1081 -177 C +ATOM 442 CD1 TYR A 67 -18.889 -1.158 -11.571 1.00 22.55 C +ANISOU 442 CD1 TYR A 67 3062 2226 3279 1180 -1155 -750 C +ATOM 443 CD2 TYR A 67 -17.853 0.977 -11.841 1.00 24.01 C +ANISOU 443 CD2 TYR A 67 3562 2523 3037 730 -450 2 C +ATOM 444 CE1 TYR A 67 -17.804 -1.777 -12.158 1.00 26.76 C +ANISOU 444 CE1 TYR A 67 3576 3301 3290 631 -822 -1900 C +ATOM 445 CE2 TYR A 67 -16.749 0.355 -12.443 1.00 31.02 C +ANISOU 445 CE2 TYR A 67 4358 2974 4454 689 148 -719 C +ATOM 446 CZ TYR A 67 -16.744 -1.021 -12.604 1.00 26.64 C +ANISOU 446 CZ TYR A 67 3962 2826 3333 1129 -376 -471 C +ATOM 447 OH TYR A 67 -15.684 -1.695 -13.181 1.00 33.31 O +ANISOU 447 OH TYR A 67 4358 4941 3355 1515 -567 -968 O +ATOM 448 N ASP A 68 -21.681 -1.176 -8.977 1.00 23.68 N +ANISOU 448 N ASP A 68 4166 1926 2902 115 -975 -441 N +ATOM 449 CA ASP A 68 -22.049 -2.567 -8.656 1.00 26.24 C +ANISOU 449 CA ASP A 68 4985 2171 2813 -127 -609 -260 C +ATOM 450 C ASP A 68 -22.565 -3.220 -9.909 1.00 21.14 C +ANISOU 450 C ASP A 68 4024 1487 2519 487 -390 -315 C +ATOM 451 O ASP A 68 -23.507 -2.711 -10.473 1.00 23.87 O +ANISOU 451 O ASP A 68 3685 2105 3279 701 -648 -803 O +ATOM 452 CB ASP A 68 -23.194 -2.643 -7.624 1.00 27.35 C +ANISOU 452 CB ASP A 68 5136 2699 2556 612 -643 -34 C +ATOM 453 CG ASP A 68 -23.656 -4.095 -7.381 1.00 28.91 C +ANISOU 453 CG ASP A 68 4378 3680 2924 167 -172 1498 C +ATOM 454 OD1 ASP A 68 -22.810 -4.920 -6.969 0.50 29.10 O +ANISOU 454 OD1 ASP A 68 6490 2135 2429 1394 1085 1135 O +ATOM 455 OD2 ASP A 68 -24.843 -4.431 -7.596 0.50 31.73 O +ANISOU 455 OD2 ASP A 68 5345 2281 4428 -910 -1486 554 O +ATOM 456 N ALA A 69 -21.973 -4.334 -10.356 1.00 20.92 N +ANISOU 456 N ALA A 69 4309 1504 2136 325 -208 -234 N +ATOM 457 CA ALA A 69 -22.403 -4.944 -11.636 1.00 22.12 C +ANISOU 457 CA ALA A 69 4228 1638 2537 587 -232 -843 C +ATOM 458 C ALA A 69 -23.878 -5.384 -11.702 1.00 24.70 C +ANISOU 458 C ALA A 69 4382 2144 2858 600 -430 -374 C +ATOM 459 O ALA A 69 -24.543 -5.262 -12.775 1.00 29.92 O +ANISOU 459 O ALA A 69 5421 2941 3004 -389 -770 -462 O +ATOM 460 CB ALA A 69 -21.497 -6.123 -11.976 1.00 27.17 C +ANISOU 460 CB ALA A 69 4281 2370 3671 913 323 -1072 C +ATOM 461 N ALA A 70 -24.398 -5.900 -10.584 1.00 26.18 N +ANISOU 461 N ALA A 70 4615 1549 3783 77 737 -867 N +ATOM 462 CA ALA A 70 -25.763 -6.488 -10.600 1.00 23.96 C +ANISOU 462 CA ALA A 70 4699 2160 2245 -41 -730 -170 C +ATOM 463 C ALA A 70 -26.882 -5.450 -10.470 1.00 24.64 C +ANISOU 463 C ALA A 70 4618 2860 1883 226 -639 -169 C +ATOM 464 O ALA A 70 -27.924 -5.597 -11.104 1.00 31.81 O +ANISOU 464 O ALA A 70 5009 3496 3582 528 -977 -1001 O +ATOM 465 CB ALA A 70 -25.901 -7.587 -9.548 1.00 28.26 C +ANISOU 465 CB ALA A 70 4670 2837 3230 -57 241 504 C +ATOM 466 N GLN A 71 -26.648 -4.397 -9.679 1.00 27.52 N +ANISOU 466 N GLN A 71 5126 1746 3584 -307 1023 -144 N +ATOM 467 CA GLN A 71 -27.596 -3.313 -9.530 1.00 23.82 C +ANISOU 467 CA GLN A 71 3924 2035 3090 -391 -363 -180 C +ATOM 468 C GLN A 71 -26.814 -2.001 -9.779 1.00 21.82 C +ANISOU 468 C GLN A 71 4194 1619 2478 51 -312 293 C +ATOM 469 O GLN A 71 -26.339 -1.283 -8.854 1.00 21.85 O +ANISOU 469 O GLN A 71 3917 2424 1960 143 -185 272 O +ATOM 470 CB GLN A 71 -28.248 -3.349 -8.142 1.00 34.25 C +ANISOU 470 CB GLN A 71 5823 3563 3626 560 606 -461 C +ATOM 471 CG GLN A 71 -29.470 -2.440 -7.994 1.00 27.96 C +ANISOU 471 CG GLN A 71 4805 2594 3224 -446 593 -199 C +ATOM 472 CD GLN A 71 -30.317 -2.816 -6.787 1.00 36.46 C +ANISOU 472 CD GLN A 71 4884 5458 3509 -1300 -11 1338 C +ATOM 473 OE1 GLN A 71 -31.549 -2.749 -6.838 1.00 39.21 O +ANISOU 473 OE1 GLN A 71 4770 5783 4345 -292 -139 -29 O +ATOM 474 NE2 GLN A 71 -29.660 -3.206 -5.694 1.00 27.43 N +ANISOU 474 NE2 GLN A 71 3592 2979 3850 -892 -538 -149 N +ATOM 475 N GLN A 72 -26.679 -1.712 -11.064 1.00 18.12 N +ANISOU 475 N GLN A 72 3284 1375 2224 -29 -210 -122 N +ATOM 476 CA GLN A 72 -25.805 -0.675 -11.530 1.00 20.42 C +ANISOU 476 CA GLN A 72 4170 1572 2015 -461 -165 -435 C +ATOM 477 C GLN A 72 -26.204 0.718 -11.130 1.00 18.32 C +ANISOU 477 C GLN A 72 3137 1653 2168 -236 -474 -528 C +ATOM 478 O GLN A 72 -25.353 1.620 -11.166 1.00 18.89 O +ANISOU 478 O GLN A 72 3258 1789 2129 -378 -712 -220 O +ATOM 479 CB GLN A 72 -25.806 -0.725 -13.052 1.00 20.88 C +ANISOU 479 CB GLN A 72 3650 2365 1915 -214 -290 -757 C +ATOM 480 CG GLN A 72 -24.930 -1.823 -13.491 1.00 27.09 C +ANISOU 480 CG GLN A 72 4169 4069 2055 542 -238 -1078 C +ATOM 481 CD GLN A 72 -24.862 -1.876 -14.986 1.00 20.01 C +ANISOU 481 CD GLN A 72 2677 3060 1867 408 -744 -451 C +ATOM 482 OE1 GLN A 72 -24.706 -0.850 -15.682 1.00 18.80 O +ANISOU 482 OE1 GLN A 72 2202 2994 1945 683 -620 -561 O +ATOM 483 NE2 GLN A 72 -24.962 -3.062 -15.480 1.00 20.84 N +ANISOU 483 NE2 GLN A 72 2295 2931 2692 -263 -177 -371 N +ATOM 484 N HIS A 73 -27.467 0.898 -10.733 1.00 17.02 N +ANISOU 484 N HIS A 73 3161 1443 1862 -158 -859 -393 N +ATOM 485 CA HIS A 73 -27.967 2.238 -10.419 1.00 16.27 C +ANISOU 485 CA HIS A 73 2652 1468 2059 -46 -935 -206 C +ATOM 486 C HIS A 73 -27.558 2.762 -9.071 1.00 14.57 C +ANISOU 486 C HIS A 73 2313 1411 1811 -132 -746 82 C +ATOM 487 O HIS A 73 -27.869 3.912 -8.748 1.00 15.51 O +ANISOU 487 O HIS A 73 2853 1455 1583 -137 -796 3 O +ATOM 488 CB HIS A 73 -29.494 2.352 -10.637 1.00 20.23 C +ANISOU 488 CB HIS A 73 2566 2588 2532 -326 -986 -1 C +ATOM 489 CG HIS A 73 -30.325 1.984 -9.435 1.00 18.02 C +ANISOU 489 CG HIS A 73 2817 1764 2263 -623 -967 -586 C +ATOM 490 ND1 HIS A 73 -30.735 0.701 -9.187 1.00 22.87 N +ANISOU 490 ND1 HIS A 73 3261 2164 3264 -968 -239 -350 N +ATOM 491 CD2 HIS A 73 -30.843 2.773 -8.405 1.00 16.23 C +ANISOU 491 CD2 HIS A 73 2448 1822 1894 -349 -640 -13 C +ATOM 492 CE1 HIS A 73 -31.467 0.686 -8.050 1.00 25.89 C +ANISOU 492 CE1 HIS A 73 3474 2759 3602 -874 -102 -262 C +ATOM 493 NE2 HIS A 73 -31.521 1.954 -7.567 1.00 23.21 N +ANISOU 493 NE2 HIS A 73 3345 2201 3271 -821 -304 300 N +ATOM 494 N ILE A 74 -26.862 1.941 -8.274 1.00 13.68 N +ANISOU 494 N ILE A 74 2425 1315 1456 -85 -778 -49 N +ATOM 495 CA ILE A 74 -26.412 2.372 -6.920 1.00 13.35 C +ANISOU 495 CA ILE A 74 2553 941 1578 19 -726 -234 C +ATOM 496 C ILE A 74 -24.900 2.455 -6.887 1.00 14.64 C +ANISOU 496 C ILE A 74 2657 1338 1565 78 -613 -47 C +ATOM 497 O ILE A 74 -24.221 1.482 -7.265 1.00 16.13 O +ANISOU 497 O ILE A 74 2519 1609 1998 207 -519 -303 O +ATOM 498 CB ILE A 74 -26.932 1.435 -5.803 1.00 14.77 C +ANISOU 498 CB ILE A 74 2485 1520 1607 -93 -774 -118 C +ATOM 499 CG1 ILE A 74 -28.469 1.325 -5.878 1.00 17.92 C +ANISOU 499 CG1 ILE A 74 2570 1774 2464 -126 -164 131 C +ATOM 500 CG2 ILE A 74 -26.420 1.885 -4.443 1.00 14.95 C +ANISOU 500 CG2 ILE A 74 2842 1342 1494 132 -694 -74 C +ATOM 501 CD1 ILE A 74 -29.062 0.269 -4.976 1.00 24.06 C +ANISOU 501 CD1 ILE A 74 3516 2583 3040 -1192 -292 381 C +ATOM 502 N VAL A 75 -24.381 3.606 -6.462 1.00 14.11 N +ANISOU 502 N VAL A 75 2287 1496 1577 -138 -576 233 N +ATOM 503 CA VAL A 75 -22.950 3.793 -6.231 1.00 13.66 C +ANISOU 503 CA VAL A 75 2165 1437 1586 -30 -588 47 C +ATOM 504 C VAL A 75 -22.680 3.519 -4.756 1.00 13.20 C +ANISOU 504 C VAL A 75 2053 1251 1709 379 -561 -61 C +ATOM 505 O VAL A 75 -23.403 4.006 -3.892 1.00 15.17 O +ANISOU 505 O VAL A 75 2698 1562 1503 325 -443 -101 O +ATOM 506 CB VAL A 75 -22.533 5.239 -6.620 1.00 15.13 C +ANISOU 506 CB VAL A 75 2349 1846 1554 -417 -529 246 C +ATOM 507 CG1 VAL A 75 -21.123 5.558 -6.112 1.00 15.29 C +ANISOU 507 CG1 VAL A 75 2219 1739 1851 -234 -687 208 C +ATOM 508 CG2 VAL A 75 -22.655 5.435 -8.141 1.00 18.88 C +ANISOU 508 CG2 VAL A 75 2591 3076 1504 -163 -784 177 C +ATOM 509 N TYR A 76 -21.638 2.734 -4.494 1.00 11.99 N +ANISOU 509 N TYR A 76 2133 1031 1391 302 -983 69 N +ATOM 510 CA TYR A 76 -21.221 2.385 -3.156 1.00 11.81 C +ANISOU 510 CA TYR A 76 2292 972 1220 114 -825 -49 C +ATOM 511 C TYR A 76 -19.930 3.112 -2.789 1.00 14.91 C +ANISOU 511 C TYR A 76 2316 1416 1933 23 -613 -69 C +ATOM 512 O TYR A 76 -18.860 2.823 -3.347 1.00 18.23 O +ANISOU 512 O TYR A 76 2400 2319 2204 -18 -341 -452 O +ATOM 513 CB TYR A 76 -21.059 0.852 -3.093 1.00 15.72 C +ANISOU 513 CB TYR A 76 2802 979 2190 131 -865 130 C +ATOM 514 CG TYR A 76 -22.388 0.162 -3.225 1.00 16.34 C +ANISOU 514 CG TYR A 76 2921 1369 1919 77 -694 -161 C +ATOM 515 CD1 TYR A 76 -22.895 -0.212 -4.484 1.00 17.33 C +ANISOU 515 CD1 TYR A 76 2951 1246 2386 194 -1111 -334 C +ATOM 516 CD2 TYR A 76 -23.188 -0.039 -2.099 1.00 17.43 C +ANISOU 516 CD2 TYR A 76 2808 1571 2243 268 -586 253 C +ATOM 517 CE1 TYR A 76 -24.127 -0.820 -4.585 1.00 18.07 C +ANISOU 517 CE1 TYR A 76 2918 1221 2727 175 -491 -183 C +ATOM 518 CE2 TYR A 76 -24.432 -0.639 -2.198 1.00 18.56 C +ANISOU 518 CE2 TYR A 76 3010 1598 2443 100 -514 -270 C +ATOM 519 CZ TYR A 76 -24.912 -0.981 -3.440 1.00 17.70 C +ANISOU 519 CZ TYR A 76 3260 984 2478 -375 -675 -125 C +ATOM 520 OH TYR A 76 -26.158 -1.565 -3.537 1.00 20.37 O +ANISOU 520 OH TYR A 76 3070 1413 3255 -198 -1464 -368 O +ATOM 521 N CYS A 77 -20.028 4.040 -1.841 1.00 15.82 N +ANISOU 521 N CYS A 77 2615 1517 1878 -184 -714 -94 N +ATOM 522 CA CYS A 77 -18.931 4.955 -1.533 1.00 14.86 C +ANISOU 522 CA CYS A 77 2364 1342 1937 4 -575 -221 C +ATOM 523 C CYS A 77 -18.537 4.960 -0.053 1.00 16.39 C +ANISOU 523 C CYS A 77 2710 1456 2060 -54 -694 -73 C +ATOM 524 O CYS A 77 -17.921 5.914 0.414 1.00 18.38 O +ANISOU 524 O CYS A 77 2971 1266 2744 126 -1071 -304 O +ATOM 525 CB CYS A 77 -19.265 6.370 -2.027 1.00 15.87 C +ANISOU 525 CB CYS A 77 2293 1598 2138 -134 -694 167 C +ATOM 526 SG CYS A 77 -20.893 6.969 -1.532 1.00 16.49 S +ANISOU 526 SG CYS A 77 2678 1571 2014 -122 -466 93 S +ATOM 527 N SER A 78 -18.871 3.893 0.677 1.00 17.72 N +ANISOU 527 N SER A 78 3275 1428 2026 113 -673 16 N +ATOM 528 CA ASER A 78 -18.465 3.780 2.073 0.50 20.01 C +ANISOU 528 CA ASER A 78 3718 1592 2290 -310 -1099 228 C +ATOM 529 CA BSER A 78 -18.467 3.737 2.079 0.50 20.73 C +ANISOU 529 CA BSER A 78 3733 1783 2359 -345 -1170 341 C +ATOM 530 C SER A 78 -16.934 3.634 2.138 1.00 22.15 C +ANISOU 530 C SER A 78 3850 1847 2717 -20 -1014 278 C +ATOM 531 O SER A 78 -16.298 3.086 1.211 1.00 27.74 O +ANISOU 531 O SER A 78 3617 2681 4241 642 -574 245 O +ATOM 532 CB ASER A 78 -19.146 2.573 2.703 0.50 22.23 C +ANISOU 532 CB ASER A 78 4755 2262 1427 -763 -1300 520 C +ATOM 533 CB BSER A 78 -19.141 2.494 2.702 0.50 26.68 C +ANISOU 533 CB BSER A 78 4930 2324 2880 -976 -1477 787 C +ATOM 534 OG ASER A 78 -18.658 1.427 2.060 0.50 23.99 O +ANISOU 534 OG ASER A 78 3852 1605 3657 -672 -954 862 O +ATOM 535 OG BSER A 78 -19.215 2.576 4.123 0.50 29.11 O +ANISOU 535 OG BSER A 78 4423 3762 2872 -848 -1838 1860 O +ATOM 536 N ASN A 79 -16.324 4.145 3.198 1.00 24.79 N +ANISOU 536 N ASN A 79 4076 2690 2651 -445 -1348 1043 N +ATOM 537 CA ASN A 79 -14.856 4.069 3.314 1.00 26.09 C +ANISOU 537 CA ASN A 79 4008 2834 3069 127 -1118 626 C +ATOM 538 C ASN A 79 -14.099 4.685 2.136 1.00 27.24 C +ANISOU 538 C ASN A 79 4063 2723 3562 455 -1022 1190 C +ATOM 539 O ASN A 79 -13.000 4.238 1.774 1.00 28.62 O +ANISOU 539 O ASN A 79 4290 2735 3850 450 -681 1801 O +ATOM 540 CB ASN A 79 -14.418 2.617 3.499 1.00 29.79 C +ANISOU 540 CB ASN A 79 4166 3091 4059 152 -878 1557 C +ATOM 541 CG ASN A 79 -14.801 2.069 4.856 1.00 32.67 C +ANISOU 541 CG ASN A 79 4718 4131 3565 609 -640 1133 C +ATOM 542 OD1 ASN A 79 -14.939 0.869 5.023 1.00 38.45 O +ANISOU 542 OD1 ASN A 79 5561 4109 4939 328 372 670 O +ATOM 543 ND2 ASN A 79 -14.983 2.957 5.834 1.00 38.42 N +ANISOU 543 ND2 ASN A 79 6733 4376 3487 -1012 -863 682 N +ATOM 544 N ASP A 80 -14.712 5.690 1.519 1.00 22.58 N +ANISOU 544 N ASP A 80 3879 1766 2932 278 -562 692 N +ATOM 545 CA ASP A 80 -14.081 6.437 0.446 1.00 19.78 C +ANISOU 545 CA ASP A 80 2797 1937 2779 -53 -1014 688 C +ATOM 546 C ASP A 80 -14.285 7.924 0.710 1.00 19.05 C +ANISOU 546 C ASP A 80 2710 2127 2399 257 -917 508 C +ATOM 547 O ASP A 80 -15.301 8.324 1.308 1.00 18.93 O +ANISOU 547 O ASP A 80 2662 1808 2721 333 -996 533 O +ATOM 548 CB ASP A 80 -14.696 6.041 -0.896 1.00 20.37 C +ANISOU 548 CB ASP A 80 2918 2198 2623 -87 -528 212 C +ATOM 549 CG ASP A 80 -13.897 6.577 -2.080 1.00 21.34 C +ANISOU 549 CG ASP A 80 3104 2099 2904 260 -332 319 C +ATOM 550 OD1 ASP A 80 -13.058 5.828 -2.599 1.00 23.73 O +ANISOU 550 OD1 ASP A 80 2848 2586 3582 614 31 658 O +ATOM 551 OD2 ASP A 80 -14.088 7.747 -2.454 1.00 21.93 O +ANISOU 551 OD2 ASP A 80 3127 2293 2910 265 -783 654 O +ATOM 552 N LEU A 81 -13.326 8.746 0.289 1.00 19.99 N +ANISOU 552 N LEU A 81 2877 1754 2964 39 -1287 653 N +ATOM 553 CA LEU A 81 -13.499 10.214 0.393 1.00 20.55 C +ANISOU 553 CA LEU A 81 2669 1805 3332 -12 -1143 656 C +ATOM 554 C LEU A 81 -14.852 10.651 -0.139 1.00 17.26 C +ANISOU 554 C LEU A 81 2379 1957 2220 -50 -732 169 C +ATOM 555 O LEU A 81 -15.494 11.509 0.445 1.00 18.28 O +ANISOU 555 O LEU A 81 2154 1892 2898 148 -851 291 O +ATOM 556 CB LEU A 81 -12.389 10.975 -0.352 1.00 21.57 C +ANISOU 556 CB LEU A 81 1940 2095 4160 54 -722 472 C +ATOM 557 CG LEU A 81 -12.421 12.518 -0.302 1.00 24.33 C +ANISOU 557 CG LEU A 81 2770 2204 4268 389 -726 701 C +ATOM 558 CD1 LEU A 81 -12.406 13.031 1.119 1.00 26.74 C +ANISOU 558 CD1 LEU A 81 3220 2517 4420 -4 -1081 -305 C +ATOM 559 CD2 LEU A 81 -11.242 13.088 -1.055 1.00 28.45 C +ANISOU 559 CD2 LEU A 81 2151 3186 5472 342 -527 598 C +ATOM 560 N LEU A 82 -15.302 10.026 -1.223 1.00 14.83 N +ANISOU 560 N LEU A 82 1952 1383 2298 -4 -883 202 N +ATOM 561 CA LEU A 82 -16.596 10.436 -1.818 1.00 14.98 C +ANISOU 561 CA LEU A 82 2028 1492 2169 89 -873 192 C +ATOM 562 C LEU A 82 -17.738 10.280 -0.820 1.00 15.04 C +ANISOU 562 C LEU A 82 2382 1424 1906 70 -701 201 C +ATOM 563 O LEU A 82 -18.598 11.164 -0.707 1.00 15.06 O +ANISOU 563 O LEU A 82 2302 1543 1873 114 -865 -14 O +ATOM 564 CB LEU A 82 -16.912 9.658 -3.108 1.00 12.91 C +ANISOU 564 CB LEU A 82 1548 1646 1708 143 -626 284 C +ATOM 565 CG LEU A 82 -18.230 10.005 -3.793 1.00 13.76 C +ANISOU 565 CG LEU A 82 1851 1427 1949 354 -809 287 C +ATOM 566 CD1 LEU A 82 -18.331 11.492 -4.103 1.00 14.36 C +ANISOU 566 CD1 LEU A 82 2235 1473 1748 445 -233 475 C +ATOM 567 CD2 LEU A 82 -18.438 9.158 -5.033 1.00 18.48 C +ANISOU 567 CD2 LEU A 82 2735 2224 2060 272 -408 -223 C +ATOM 568 N GLY A 83 -17.770 9.150 -0.111 1.00 14.64 N +ANISOU 568 N GLY A 83 2376 1548 1636 -82 -812 260 N +ATOM 569 CA GLY A 83 -18.803 8.969 0.942 1.00 16.19 C +ANISOU 569 CA GLY A 83 2778 1321 2050 -75 -374 20 C +ATOM 570 C GLY A 83 -18.697 9.963 2.096 1.00 17.03 C +ANISOU 570 C GLY A 83 2719 1787 1965 -40 -733 -58 C +ATOM 571 O GLY A 83 -19.717 10.415 2.621 1.00 17.32 O +ANISOU 571 O GLY A 83 2939 1704 1935 10 -558 -123 O +ATOM 572 N ASP A 84 -17.483 10.345 2.481 1.00 15.65 N +ANISOU 572 N ASP A 84 2870 1354 1721 162 -1016 233 N +ATOM 573 CA ASP A 84 -17.344 11.371 3.537 1.00 17.85 C +ANISOU 573 CA ASP A 84 3044 1408 2328 -64 -1349 34 C +ATOM 574 C ASP A 84 -17.897 12.720 3.055 1.00 17.36 C +ANISOU 574 C ASP A 84 2853 1786 1955 284 -761 277 C +ATOM 575 O ASP A 84 -18.555 13.442 3.812 1.00 19.45 O +ANISOU 575 O ASP A 84 3341 1998 2050 232 -749 -203 O +ATOM 576 CB ASP A 84 -15.879 11.530 3.981 1.00 20.71 C +ANISOU 576 CB ASP A 84 2882 1917 3070 -40 -1501 435 C +ATOM 577 CG ASP A 84 -15.271 10.247 4.563 1.00 26.17 C +ANISOU 577 CG ASP A 84 3766 2151 4026 330 -1305 686 C +ATOM 578 OD1 ASP A 84 -16.004 9.340 5.039 0.50 23.74 O +ANISOU 578 OD1 ASP A 84 4590 1929 2501 -178 -2106 767 O +ATOM 579 OD2 ASP A 84 -14.029 10.172 4.541 0.50 28.13 O +ANISOU 579 OD2 ASP A 84 3394 2062 5229 127 -3050 144 O +ATOM 580 N LEU A 85 -17.641 13.056 1.793 1.00 15.39 N +ANISOU 580 N LEU A 85 2415 1613 1817 73 -1139 454 N +ATOM 581 CA LEU A 85 -18.120 14.344 1.226 1.00 15.37 C +ANISOU 581 CA LEU A 85 2465 1356 2016 2 -680 364 C +ATOM 582 C LEU A 85 -19.637 14.381 1.005 1.00 15.74 C +ANISOU 582 C LEU A 85 2474 1493 2014 -23 -560 -133 C +ATOM 583 O LEU A 85 -20.271 15.391 1.230 1.00 14.88 O +ANISOU 583 O LEU A 85 2367 1315 1970 -146 -485 154 O +ATOM 584 CB LEU A 85 -17.406 14.633 -0.082 1.00 16.72 C +ANISOU 584 CB LEU A 85 2113 1782 2457 -16 -568 552 C +ATOM 585 CG LEU A 85 -15.884 14.826 0.086 1.00 18.12 C +ANISOU 585 CG LEU A 85 2085 2388 2410 -203 -650 219 C +ATOM 586 CD1 LEU A 85 -15.345 15.247 -1.271 1.00 20.19 C +ANISOU 586 CD1 LEU A 85 2474 2542 2655 674 -132 696 C +ATOM 587 CD2 LEU A 85 -15.455 15.834 1.171 1.00 20.90 C +ANISOU 587 CD2 LEU A 85 2754 2546 2640 -17 -931 88 C +ATOM 588 N PHE A 86 -20.204 13.273 0.509 1.00 14.45 N +ANISOU 588 N PHE A 86 2324 1302 1863 -84 -796 194 N +ATOM 589 CA PHE A 86 -21.632 13.176 0.282 1.00 15.31 C +ANISOU 589 CA PHE A 86 2453 1672 1688 -375 -556 55 C +ATOM 590 C PHE A 86 -22.423 12.845 1.561 1.00 17.39 C +ANISOU 590 C PHE A 86 2927 1893 1784 -457 -517 255 C +ATOM 591 O PHE A 86 -23.637 13.079 1.611 1.00 17.93 O +ANISOU 591 O PHE A 86 3063 2006 1743 190 -208 -238 O +ATOM 592 CB PHE A 86 -21.905 12.136 -0.789 1.00 14.38 C +ANISOU 592 CB PHE A 86 2206 1837 1417 -80 -689 7 C +ATOM 593 CG PHE A 86 -21.776 12.655 -2.217 1.00 13.84 C +ANISOU 593 CG PHE A 86 2211 1490 1558 240 -648 184 C +ATOM 594 CD1 PHE A 86 -21.137 13.866 -2.510 1.00 16.23 C +ANISOU 594 CD1 PHE A 86 2431 1752 1982 264 -395 497 C +ATOM 595 CD2 PHE A 86 -22.303 11.916 -3.270 1.00 15.03 C +ANISOU 595 CD2 PHE A 86 2236 1706 1768 85 -504 -98 C +ATOM 596 CE1 PHE A 86 -21.052 14.340 -3.829 1.00 13.83 C +ANISOU 596 CE1 PHE A 86 1983 1666 1603 302 -315 60 C +ATOM 597 CE2 PHE A 86 -22.209 12.372 -4.581 1.00 14.97 C +ANISOU 597 CE2 PHE A 86 2168 1552 1968 1 -381 156 C +ATOM 598 CZ PHE A 86 -21.582 13.588 -4.865 1.00 14.18 C +ANISOU 598 CZ PHE A 86 2064 1475 1848 74 -244 39 C +ATOM 599 N GLY A 87 -21.735 12.308 2.579 1.00 16.12 N +ANISOU 599 N GLY A 87 3097 1459 1566 -84 -581 -232 N +ATOM 600 CA GLY A 87 -22.375 12.011 3.861 1.00 17.82 C +ANISOU 600 CA GLY A 87 3235 1528 2007 -235 -320 -151 C +ATOM 601 C GLY A 87 -23.225 10.765 3.843 1.00 18.28 C +ANISOU 601 C GLY A 87 3323 1583 2037 -287 -48 -247 C +ATOM 602 O GLY A 87 -24.099 10.608 4.714 1.00 20.48 O +ANISOU 602 O GLY A 87 3571 2216 1993 -467 52 -412 O +ATOM 603 N VAL A 88 -22.968 9.885 2.863 1.00 15.30 N +ANISOU 603 N VAL A 88 2845 1381 1584 -508 -353 -116 N +ATOM 604 CA VAL A 88 -23.773 8.627 2.687 1.00 13.90 C +ANISOU 604 CA VAL A 88 2806 1051 1423 -227 -520 -207 C +ATOM 605 C VAL A 88 -22.862 7.467 2.278 1.00 14.17 C +ANISOU 605 C VAL A 88 2904 1236 1242 76 -353 275 C +ATOM 606 O VAL A 88 -21.812 7.707 1.661 1.00 17.48 O +ANISOU 606 O VAL A 88 2916 1515 2207 -267 -316 -74 O +ATOM 607 CB VAL A 88 -24.909 8.766 1.611 1.00 15.42 C +ANISOU 607 CB VAL A 88 2593 1790 1473 24 -374 66 C +ATOM 608 CG1 VAL A 88 -25.978 9.778 2.033 1.00 20.38 C +ANISOU 608 CG1 VAL A 88 3263 1990 2489 142 -292 -736 C +ATOM 609 CG2 VAL A 88 -24.345 9.158 0.245 1.00 18.44 C +ANISOU 609 CG2 VAL A 88 3145 1911 1950 -407 -4 438 C +ATOM 610 N PRO A 89 -23.236 6.209 2.615 1.00 15.13 N +ANISOU 610 N PRO A 89 2791 1389 1566 -267 -265 -2 N +ATOM 611 CA PRO A 89 -22.436 5.043 2.184 1.00 15.49 C +ANISOU 611 CA PRO A 89 2935 1210 1740 -321 -460 -21 C +ATOM 612 C PRO A 89 -22.804 4.568 0.779 1.00 15.11 C +ANISOU 612 C PRO A 89 2787 1368 1583 12 -580 194 C +ATOM 613 O PRO A 89 -22.081 3.756 0.195 1.00 16.75 O +ANISOU 613 O PRO A 89 2676 1715 1972 -217 -470 190 O +ATOM 614 CB PRO A 89 -22.800 3.975 3.215 1.00 18.14 C +ANISOU 614 CB PRO A 89 3443 1309 2140 -158 -415 237 C +ATOM 615 CG PRO A 89 -24.224 4.327 3.571 1.00 17.94 C +ANISOU 615 CG PRO A 89 3368 1292 2155 -224 33 226 C +ATOM 616 CD PRO A 89 -24.244 5.838 3.626 1.00 17.86 C +ANISOU 616 CD PRO A 89 3362 1327 2095 -621 35 189 C +ATOM 617 N SER A 90 -23.917 5.073 0.241 1.00 14.72 N +ANISOU 617 N SER A 90 2649 1480 1463 -101 -656 -55 N +ATOM 618 CA SER A 90 -24.379 4.691 -1.109 1.00 13.69 C +ANISOU 618 CA SER A 90 2678 1181 1339 -178 -790 307 C +ATOM 619 C SER A 90 -25.396 5.712 -1.570 1.00 14.31 C +ANISOU 619 C SER A 90 2429 1386 1621 -68 -367 275 C +ATOM 620 O SER A 90 -25.974 6.422 -0.746 1.00 16.30 O +ANISOU 620 O SER A 90 2893 1604 1695 -14 -511 -149 O +ATOM 621 CB SER A 90 -25.051 3.287 -1.118 1.00 15.82 C +ANISOU 621 CB SER A 90 2822 1178 2009 -107 -353 251 C +ATOM 622 OG SER A 90 -26.282 3.288 -0.361 1.00 18.72 O +ANISOU 622 OG SER A 90 2880 1657 2574 -334 -486 276 O +ATOM 623 N PHE A 91 -25.619 5.782 -2.883 1.00 14.24 N +ANISOU 623 N PHE A 91 2462 1218 1731 81 -574 329 N +ATOM 624 CA PHE A 91 -26.649 6.671 -3.406 1.00 13.29 C +ANISOU 624 CA PHE A 91 2160 1326 1563 61 -578 116 C +ATOM 625 C PHE A 91 -27.108 6.195 -4.758 1.00 13.41 C +ANISOU 625 C PHE A 91 2030 1408 1657 -41 -401 -159 C +ATOM 626 O PHE A 91 -26.366 5.498 -5.494 1.00 13.72 O +ANISOU 626 O PHE A 91 2062 1199 1951 164 -337 -171 O +ATOM 627 CB PHE A 91 -26.201 8.166 -3.479 1.00 13.47 C +ANISOU 627 CB PHE A 91 2288 1277 1551 90 -389 -190 C +ATOM 628 CG PHE A 91 -25.031 8.432 -4.388 1.00 13.00 C +ANISOU 628 CG PHE A 91 2279 1167 1490 61 -431 161 C +ATOM 629 CD1 PHE A 91 -25.219 8.774 -5.754 1.00 13.71 C +ANISOU 629 CD1 PHE A 91 2702 1164 1343 187 -335 -169 C +ATOM 630 CD2 PHE A 91 -23.720 8.328 -3.900 1.00 15.66 C +ANISOU 630 CD2 PHE A 91 2300 1445 2203 216 -429 9 C +ATOM 631 CE1 PHE A 91 -24.124 9.017 -6.574 1.00 14.41 C +ANISOU 631 CE1 PHE A 91 2175 1372 1928 367 -447 -302 C +ATOM 632 CE2 PHE A 91 -22.625 8.605 -4.717 1.00 14.94 C +ANISOU 632 CE2 PHE A 91 2226 1470 1977 81 -343 -155 C +ATOM 633 CZ PHE A 91 -22.827 8.944 -6.062 1.00 15.42 C +ANISOU 633 CZ PHE A 91 2309 1518 2031 188 -581 -216 C +ATOM 634 N SER A 92 -28.341 6.552 -5.091 1.00 13.72 N +ANISOU 634 N SER A 92 2075 1454 1684 292 -341 -150 N +ATOM 635 CA SER A 92 -28.888 6.206 -6.420 1.00 15.10 C +ANISOU 635 CA SER A 92 2279 1638 1820 -69 -651 78 C +ATOM 636 C SER A 92 -28.495 7.225 -7.498 1.00 15.76 C +ANISOU 636 C SER A 92 2373 1744 1871 142 -177 -71 C +ATOM 637 O SER A 92 -28.685 8.445 -7.323 1.00 15.61 O +ANISOU 637 O SER A 92 2362 1731 1836 15 -288 -226 O +ATOM 638 CB SER A 92 -30.411 6.121 -6.352 1.00 18.24 C +ANISOU 638 CB SER A 92 2181 2475 2274 -122 -675 140 C +ATOM 639 OG SER A 92 -30.934 6.040 -7.673 1.00 17.75 O +ANISOU 639 OG SER A 92 2749 1732 2263 -418 -724 25 O +ATOM 640 N VAL A 93 -27.988 6.728 -8.624 1.00 13.61 N +ANISOU 640 N VAL A 93 2035 1668 1468 -64 -553 -44 N +ATOM 641 CA VAL A 93 -27.641 7.599 -9.764 1.00 13.38 C +ANISOU 641 CA VAL A 93 2108 1333 1641 -13 -528 -61 C +ATOM 642 C VAL A 93 -28.853 8.228 -10.450 1.00 14.84 C +ANISOU 642 C VAL A 93 2291 1463 1884 132 -586 -170 C +ATOM 643 O VAL A 93 -28.687 9.187 -11.224 1.00 17.10 O +ANISOU 643 O VAL A 93 2539 1854 2103 298 -449 126 O +ATOM 644 CB VAL A 93 -26.827 6.821 -10.839 1.00 13.45 C +ANISOU 644 CB VAL A 93 1719 1621 1771 -7 -598 -208 C +ATOM 645 CG1 VAL A 93 -25.540 6.232 -10.223 1.00 17.67 C +ANISOU 645 CG1 VAL A 93 2456 2346 1909 425 -852 231 C +ATOM 646 CG2 VAL A 93 -27.711 5.761 -11.552 1.00 14.97 C +ANISOU 646 CG2 VAL A 93 2338 1503 1848 -73 -681 -319 C +ATOM 647 N LYS A 94 -30.056 7.701 -10.171 1.00 15.50 N +ANISOU 647 N LYS A 94 2090 1574 2226 184 -730 -248 N +ATOM 648 CA LYS A 94 -31.319 8.179 -10.783 1.00 16.46 C +ANISOU 648 CA LYS A 94 2006 1811 2436 293 -583 -63 C +ATOM 649 C LYS A 94 -31.775 9.537 -10.262 1.00 17.56 C +ANISOU 649 C LYS A 94 2446 1838 2385 137 -792 -282 C +ATOM 650 O LYS A 94 -32.550 10.236 -10.931 1.00 20.59 O +ANISOU 650 O LYS A 94 2455 2138 3226 248 -705 155 O +ATOM 651 CB LYS A 94 -32.454 7.152 -10.604 1.00 21.65 C +ANISOU 651 CB LYS A 94 2619 2033 3571 -179 -1220 -285 C +ATOM 652 CG LYS A 94 -32.159 5.748 -11.130 1.00 29.65 C +ANISOU 652 CG LYS A 94 3444 2469 5351 507 -1902 -976 C +ATOM 653 CD LYS A 94 -33.346 4.808 -10.913 1.00 41.63 C +ANISOU 653 CD LYS A 94 4693 3981 7144 -716 -2529 -1126 C +ATOM 654 CE LYS A 94 -33.164 3.456 -11.602 1.00 43.68 C +ANISOU 654 CE LYS A 94 5783 4069 6741 1662 -3316 -799 C +ATOM 655 NZ LYS A 94 -33.112 3.547 -13.097 0.50 46.50 N +ANISOU 655 NZ LYS A 94 8149 2909 6608 4006 -5758 -1762 N +ATOM 656 N GLU A 95 -31.274 9.896 -9.083 1.00 15.63 N +ANISOU 656 N GLU A 95 2317 1496 2124 118 -379 -73 N +ATOM 657 CA AGLU A 95 -31.741 11.049 -8.316 0.50 16.75 C +ANISOU 657 CA AGLU A 95 2505 1552 2305 -124 90 -91 C +ATOM 658 CA BGLU A 95 -31.772 11.063 -8.359 0.50 17.30 C +ANISOU 658 CA BGLU A 95 2613 1542 2416 -159 135 -148 C +ATOM 659 C GLU A 95 -30.867 12.271 -8.600 1.00 14.34 C +ANISOU 659 C GLU A 95 1978 1476 1994 32 -375 203 C +ATOM 660 O GLU A 95 -30.044 12.669 -7.742 1.00 15.58 O +ANISOU 660 O GLU A 95 2422 1455 2042 -27 -224 -43 O +ATOM 661 CB AGLU A 95 -31.679 10.704 -6.820 0.50 18.93 C +ANISOU 661 CB AGLU A 95 2681 2065 2443 -689 49 281 C +ATOM 662 CB BGLU A 95 -31.912 10.725 -6.872 0.50 21.65 C +ANISOU 662 CB BGLU A 95 3156 2472 2596 -748 90 289 C +ATOM 663 CG AGLU A 95 -32.551 9.525 -6.402 0.50 20.54 C +ANISOU 663 CG AGLU A 95 2690 1665 3447 -401 -117 535 C +ATOM 664 CG BGLU A 95 -32.982 9.672 -6.594 0.50 26.24 C +ANISOU 664 CG BGLU A 95 3659 2174 4133 -932 21 5 C +ATOM 665 CD AGLU A 95 -34.030 9.835 -6.513 0.50 23.57 C +ANISOU 665 CD AGLU A 95 2538 2288 4127 -513 -10 143 C +ATOM 666 CD BGLU A 95 -33.057 9.296 -5.134 0.50 33.65 C +ANISOU 666 CD BGLU A 95 4974 3586 4224 -451 541 230 C +ATOM 667 OE1AGLU A 95 -34.408 11.037 -6.440 0.50 22.49 O +ANISOU 667 OE1AGLU A 95 2547 2223 3775 -427 23 876 O +ATOM 668 OE1BGLU A 95 -32.018 8.877 -4.586 0.50 42.34 O +ANISOU 668 OE1BGLU A 95 5693 5458 4933 1057 630 -263 O +ATOM 669 OE2AGLU A 95 -34.809 8.869 -6.672 0.50 23.79 O +ANISOU 669 OE2AGLU A 95 2137 2822 4080 -611 -111 28 O +ATOM 670 OE2BGLU A 95 -34.149 9.412 -4.536 0.50 40.91 O +ANISOU 670 OE2BGLU A 95 4954 3966 6624 284 882 -372 O +ATOM 671 N HIS A 96 -31.012 12.866 -9.800 1.00 12.99 N +ANISOU 671 N HIS A 96 1944 1216 1776 -169 -455 -142 N +ATOM 672 CA HIS A 96 -30.008 13.901 -10.209 1.00 12.81 C +ANISOU 672 CA HIS A 96 1949 1339 1578 -167 -195 -144 C +ATOM 673 C HIS A 96 -30.061 15.120 -9.321 1.00 11.11 C +ANISOU 673 C HIS A 96 1461 1218 1539 73 -207 -129 C +ATOM 674 O HIS A 96 -29.016 15.677 -8.971 1.00 12.01 O +ANISOU 674 O HIS A 96 1573 1380 1610 99 -464 -22 O +ATOM 675 CB HIS A 96 -30.121 14.310 -11.671 1.00 13.32 C +ANISOU 675 CB HIS A 96 2037 1436 1587 250 -575 -213 C +ATOM 676 CG HIS A 96 -29.731 13.202 -12.638 1.00 14.10 C +ANISOU 676 CG HIS A 96 1986 1638 1731 173 -533 -408 C +ATOM 677 ND1 HIS A 96 -29.542 13.419 -13.958 1.00 16.74 N +ANISOU 677 ND1 HIS A 96 2584 1954 1819 -397 -406 -553 N +ATOM 678 CD2 HIS A 96 -29.536 11.830 -12.438 1.00 14.00 C +ANISOU 678 CD2 HIS A 96 1636 1755 1927 191 -263 -248 C +ATOM 679 CE1 HIS A 96 -29.193 12.267 -14.561 1.00 17.49 C +ANISOU 679 CE1 HIS A 96 2819 1908 1918 101 -382 -256 C +ATOM 680 NE2 HIS A 96 -29.221 11.290 -13.652 1.00 15.45 N +ANISOU 680 NE2 HIS A 96 2214 1893 1761 271 -326 -226 N +ATOM 681 N ARG A 97 -31.261 15.560 -8.956 1.00 13.02 N +ANISOU 681 N ARG A 97 1725 1562 1659 367 -130 -152 N +ATOM 682 CA ARG A 97 -31.385 16.729 -8.041 1.00 12.43 C +ANISOU 682 CA ARG A 97 1566 1492 1663 209 -170 -158 C +ATOM 683 C ARG A 97 -30.725 16.433 -6.696 1.00 12.92 C +ANISOU 683 C ARG A 97 1853 1360 1696 -113 -246 15 C +ATOM 684 O ARG A 97 -29.995 17.282 -6.168 1.00 12.18 O +ANISOU 684 O ARG A 97 1735 1477 1415 47 -378 -184 O +ATOM 685 CB ARG A 97 -32.877 17.076 -7.813 1.00 14.36 C +ANISOU 685 CB ARG A 97 1463 1928 2063 263 -356 -178 C +ATOM 686 CG ARG A 97 -33.137 18.191 -6.765 1.00 14.24 C +ANISOU 686 CG ARG A 97 1602 1488 2319 102 -325 -134 C +ATOM 687 CD ARG A 97 -32.365 19.475 -7.075 1.00 12.16 C +ANISOU 687 CD ARG A 97 1428 1652 1539 100 -329 53 C +ATOM 688 NE ARG A 97 -32.680 20.055 -8.407 1.00 13.38 N +ANISOU 688 NE ARG A 97 1701 1701 1682 616 -194 285 N +ATOM 689 CZ ARG A 97 -31.875 20.930 -9.034 1.00 13.14 C +ANISOU 689 CZ ARG A 97 1811 1617 1562 177 -508 208 C +ATOM 690 NH1 ARG A 97 -30.711 21.281 -8.469 1.00 12.52 N +ANISOU 690 NH1 ARG A 97 1785 1567 1403 375 -341 -83 N +ATOM 691 NH2 ARG A 97 -32.226 21.456 -10.233 1.00 13.85 N +ANISOU 691 NH2 ARG A 97 1872 1817 1571 718 -573 110 N +ATOM 692 N LYS A 98 -30.936 15.234 -6.134 1.00 12.60 N +ANISOU 692 N LYS A 98 1768 1328 1688 186 -202 187 N +ATOM 693 CA LYS A 98 -30.284 14.914 -4.844 1.00 13.65 C +ANISOU 693 CA LYS A 98 1780 1492 1911 -85 -424 263 C +ATOM 694 C LYS A 98 -28.748 14.880 -4.971 1.00 12.56 C +ANISOU 694 C LYS A 98 1782 1439 1551 197 -339 -32 C +ATOM 695 O LYS A 98 -28.057 15.344 -4.051 1.00 12.49 O +ANISOU 695 O LYS A 98 1725 1299 1719 242 -483 19 O +ATOM 696 CB LYS A 98 -30.800 13.586 -4.263 1.00 13.77 C +ANISOU 696 CB LYS A 98 1938 1482 1811 -143 18 183 C +ATOM 697 CG LYS A 98 -32.297 13.599 -3.974 1.00 22.24 C +ANISOU 697 CG LYS A 98 2016 2794 3638 -288 308 700 C +ATOM 698 CD LYS A 98 -32.729 12.361 -3.208 1.00 27.95 C +ANISOU 698 CD LYS A 98 3463 3310 3846 -1173 505 594 C +ATOM 699 CE LYS A 98 -34.229 12.395 -2.958 1.00 35.22 C +ANISOU 699 CE LYS A 98 3364 4637 5379 -1170 329 931 C +ATOM 700 NZ LYS A 98 -34.598 11.331 -1.991 1.00 40.82 N +ANISOU 700 NZ LYS A 98 5389 4813 5308 -858 1179 779 N +ATOM 701 N ILE A 99 -28.233 14.383 -6.102 1.00 10.87 N +ANISOU 701 N ILE A 99 1322 1278 1529 -7 -442 101 N +ATOM 702 CA ILE A 99 -26.770 14.405 -6.357 1.00 11.63 C +ANISOU 702 CA ILE A 99 1552 1104 1762 121 -122 -176 C +ATOM 703 C ILE A 99 -26.265 15.863 -6.464 1.00 10.82 C +ANISOU 703 C ILE A 99 1680 1150 1280 16 -491 -47 C +ATOM 704 O ILE A 99 -25.270 16.225 -5.824 1.00 11.75 O +ANISOU 704 O ILE A 99 1672 1324 1467 139 -506 -187 O +ATOM 705 CB ILE A 99 -26.407 13.559 -7.583 1.00 10.21 C +ANISOU 705 CB ILE A 99 1495 1198 1183 -41 -205 121 C +ATOM 706 CG1 ILE A 99 -26.681 12.091 -7.246 1.00 12.89 C +ANISOU 706 CG1 ILE A 99 2277 1069 1549 -255 -557 -170 C +ATOM 707 CG2 ILE A 99 -24.939 13.735 -7.949 1.00 11.84 C +ANISOU 707 CG2 ILE A 99 1384 1503 1609 280 -87 -149 C +ATOM 708 CD1 ILE A 99 -26.735 11.187 -8.470 1.00 14.00 C +ANISOU 708 CD1 ILE A 99 2231 1465 1622 -8 -587 -460 C +ATOM 709 N TYR A 100 -26.975 16.704 -7.226 1.00 10.74 N +ANISOU 709 N TYR A 100 1620 1097 1362 199 -230 -34 N +ATOM 710 CA TYR A 100 -26.627 18.128 -7.274 1.00 11.24 C +ANISOU 710 CA TYR A 100 1988 1077 1205 221 -426 -79 C +ATOM 711 C TYR A 100 -26.568 18.741 -5.867 1.00 11.66 C +ANISOU 711 C TYR A 100 1890 1342 1197 0 -191 -98 C +ATOM 712 O TYR A 100 -25.600 19.438 -5.540 1.00 11.05 O +ANISOU 712 O TYR A 100 1724 1159 1314 257 -364 -167 O +ATOM 713 CB TYR A 100 -27.555 18.926 -8.205 1.00 11.25 C +ANISOU 713 CB TYR A 100 1922 1366 985 225 -367 2 C +ATOM 714 CG TYR A 100 -26.993 19.039 -9.635 1.00 10.03 C +ANISOU 714 CG TYR A 100 1804 952 1051 180 -269 -150 C +ATOM 715 CD1 TYR A 100 -26.669 17.902 -10.412 1.00 13.19 C +ANISOU 715 CD1 TYR A 100 2025 1373 1613 381 -332 -539 C +ATOM 716 CD2 TYR A 100 -26.705 20.282 -10.166 1.00 10.97 C +ANISOU 716 CD2 TYR A 100 1576 1304 1289 74 -318 325 C +ATOM 717 CE1 TYR A 100 -26.107 18.047 -11.666 1.00 14.65 C +ANISOU 717 CE1 TYR A 100 2118 1783 1663 48 -366 -140 C +ATOM 718 CE2 TYR A 100 -26.170 20.435 -11.441 1.00 12.00 C +ANISOU 718 CE2 TYR A 100 1941 1498 1119 63 -376 -132 C +ATOM 719 CZ TYR A 100 -25.853 19.324 -12.180 1.00 13.25 C +ANISOU 719 CZ TYR A 100 2001 1648 1386 273 -503 -262 C +ATOM 720 OH TYR A 100 -25.255 19.475 -13.424 1.00 15.32 O +ANISOU 720 OH TYR A 100 2474 1877 1468 324 -371 78 O +ATOM 721 N THR A 101 -27.567 18.451 -5.030 1.00 11.08 N +ANISOU 721 N THR A 101 1797 1264 1146 276 -155 -27 N +ATOM 722 CA THR A 101 -27.568 18.979 -3.652 1.00 10.90 C +ANISOU 722 CA THR A 101 1805 1249 1086 229 -103 64 C +ATOM 723 C THR A 101 -26.322 18.537 -2.875 1.00 12.15 C +ANISOU 723 C THR A 101 1900 1294 1420 149 -311 -81 C +ATOM 724 O THR A 101 -25.711 19.335 -2.162 1.00 13.34 O +ANISOU 724 O THR A 101 2107 1331 1628 146 -293 -277 O +ATOM 725 CB THR A 101 -28.871 18.546 -2.945 1.00 12.01 C +ANISOU 725 CB THR A 101 1694 1718 1149 326 -94 181 C +ATOM 726 OG1 THR A 101 -29.973 19.143 -3.646 1.00 13.24 O +ANISOU 726 OG1 THR A 101 1901 1385 1742 414 -203 278 O +ATOM 727 CG2 THR A 101 -28.903 18.970 -1.476 1.00 14.48 C +ANISOU 727 CG2 THR A 101 2477 1648 1375 -86 59 -159 C +ATOM 728 N MET A 102 -25.969 17.257 -2.977 1.00 12.60 N +ANISOU 728 N MET A 102 2050 1425 1312 476 -418 -149 N +ATOM 729 CA MET A 102 -24.766 16.754 -2.284 1.00 11.35 C +ANISOU 729 CA MET A 102 1770 1005 1536 270 -344 -66 C +ATOM 730 C MET A 102 -23.497 17.455 -2.801 1.00 11.91 C +ANISOU 730 C MET A 102 1966 1202 1355 83 -430 56 C +ATOM 731 O MET A 102 -22.582 17.740 -2.011 1.00 13.57 O +ANISOU 731 O MET A 102 2001 1425 1729 -100 -536 -16 O +ATOM 732 CB MET A 102 -24.666 15.220 -2.423 1.00 11.63 C +ANISOU 732 CB MET A 102 1911 931 1575 86 -366 264 C +ATOM 733 CG MET A 102 -25.748 14.520 -1.611 1.00 14.98 C +ANISOU 733 CG MET A 102 2232 1556 1901 -299 44 -46 C +ATOM 734 SD MET A 102 -25.590 12.705 -1.554 1.00 16.80 S +ANISOU 734 SD MET A 102 2586 1647 2147 0 -527 285 S +ATOM 735 CE MET A 102 -26.029 12.276 -3.227 1.00 17.26 C +ANISOU 735 CE MET A 102 2776 1691 2089 -108 -584 133 C +ATOM 736 N ILE A 103 -23.436 17.714 -4.109 1.00 10.36 N +ANISOU 736 N ILE A 103 1633 916 1386 77 -356 -58 N +ATOM 737 CA ILE A 103 -22.311 18.459 -4.665 1.00 10.49 C +ANISOU 737 CA ILE A 103 1715 1194 1076 -15 -414 -65 C +ATOM 738 C ILE A 103 -22.320 19.910 -4.183 1.00 11.05 C +ANISOU 738 C ILE A 103 1661 1194 1341 170 -572 -119 C +ATOM 739 O ILE A 103 -21.270 20.412 -3.774 1.00 11.83 O +ANISOU 739 O ILE A 103 1624 1277 1591 114 -606 -207 O +ATOM 740 CB ILE A 103 -22.293 18.396 -6.200 1.00 12.05 C +ANISOU 740 CB ILE A 103 2034 1506 1037 9 -380 -101 C +ATOM 741 CG1 ILE A 103 -22.083 16.910 -6.621 1.00 12.76 C +ANISOU 741 CG1 ILE A 103 1876 1572 1400 0 -611 -229 C +ATOM 742 CG2 ILE A 103 -21.203 19.328 -6.765 1.00 13.74 C +ANISOU 742 CG2 ILE A 103 2108 1852 1259 -92 -316 -47 C +ATOM 743 CD1 ILE A 103 -22.304 16.644 -8.100 1.00 14.54 C +ANISOU 743 CD1 ILE A 103 1979 2137 1406 -164 -430 -434 C +ATOM 744 N TYR A 104 -23.480 20.580 -4.171 1.00 11.87 N +ANISOU 744 N TYR A 104 1976 1120 1410 394 -162 -152 N +ATOM 745 CA TYR A 104 -23.509 22.002 -3.713 1.00 11.87 C +ANISOU 745 CA TYR A 104 1889 1262 1357 299 -571 -331 C +ATOM 746 C TYR A 104 -22.959 22.139 -2.289 1.00 12.10 C +ANISOU 746 C TYR A 104 2281 1072 1242 198 -560 -64 C +ATOM 747 O TYR A 104 -22.309 23.142 -1.978 1.00 12.85 O +ANISOU 747 O TYR A 104 1989 1439 1452 -27 -700 36 O +ATOM 748 CB TYR A 104 -24.927 22.583 -3.763 1.00 12.62 C +ANISOU 748 CB TYR A 104 1782 1669 1343 344 -495 201 C +ATOM 749 CG TYR A 104 -25.394 22.905 -5.182 1.00 11.59 C +ANISOU 749 CG TYR A 104 1950 1179 1274 138 -560 0 C +ATOM 750 CD1 TYR A 104 -26.574 22.362 -5.700 1.00 11.98 C +ANISOU 750 CD1 TYR A 104 1717 1604 1231 216 -591 -56 C +ATOM 751 CD2 TYR A 104 -24.666 23.790 -5.991 1.00 13.44 C +ANISOU 751 CD2 TYR A 104 1908 1763 1434 155 -397 380 C +ATOM 752 CE1 TYR A 104 -27.017 22.678 -7.007 1.00 11.47 C +ANISOU 752 CE1 TYR A 104 1668 1397 1289 369 -485 130 C +ATOM 753 CE2 TYR A 104 -25.095 24.088 -7.312 1.00 14.07 C +ANISOU 753 CE2 TYR A 104 2113 1678 1555 66 -573 431 C +ATOM 754 CZ TYR A 104 -26.297 23.546 -7.784 1.00 13.18 C +ANISOU 754 CZ TYR A 104 1921 1426 1658 363 -425 85 C +ATOM 755 OH TYR A 104 -26.712 23.807 -9.080 1.00 14.97 O +ANISOU 755 OH TYR A 104 2270 1602 1814 318 -527 73 O +ATOM 756 N ARG A 105 -23.173 21.126 -1.448 1.00 12.14 N +ANISOU 756 N ARG A 105 2182 1262 1166 318 -331 36 N +ATOM 757 CA ARG A 105 -22.638 21.171 -0.071 1.00 13.34 C +ANISOU 757 CA ARG A 105 2378 1318 1371 267 -687 102 C +ATOM 758 C ARG A 105 -21.108 21.289 -0.046 1.00 13.91 C +ANISOU 758 C ARG A 105 2384 1309 1589 291 -835 -207 C +ATOM 759 O ARG A 105 -20.516 21.752 0.964 1.00 17.90 O +ANISOU 759 O ARG A 105 3098 2225 1478 207 -978 -296 O +ATOM 760 CB ARG A 105 -23.002 19.894 0.686 1.00 19.47 C +ANISOU 760 CB ARG A 105 3274 1711 2410 21 -386 571 C +ATOM 761 CG ARG A 105 -24.474 19.688 0.902 1.00 24.14 C +ANISOU 761 CG ARG A 105 3694 2521 2956 10 -154 824 C +ATOM 762 CD ARG A 105 -24.757 18.799 2.108 1.00 36.91 C +ANISOU 762 CD ARG A 105 5606 4919 3500 -1183 1549 1291 C +ATOM 763 NE ARG A 105 -26.099 18.249 1.994 1.00 37.62 N +ANISOU 763 NE ARG A 105 6411 4678 3204 -1333 186 671 N +ATOM 764 CZ ARG A 105 -26.356 16.956 1.875 0.50 36.67 C +ANISOU 764 CZ ARG A 105 5321 4201 4410 -401 -357 479 C +ATOM 765 NH1 ARG A 105 -25.358 16.073 1.880 0.50 28.47 N +ANISOU 765 NH1 ARG A 105 4890 3947 1980 -755 -1018 -898 N +ATOM 766 NH2 ARG A 105 -27.609 16.548 1.766 0.50 35.82 N +ANISOU 766 NH2 ARG A 105 4570 4266 4771 621 -605 1982 N +ATOM 767 N ASN A 106 -20.497 20.829 -1.143 1.00 13.70 N +ANISOU 767 N ASN A 106 2137 1415 1652 146 -490 176 N +ATOM 768 CA ASN A 106 -19.064 20.692 -1.293 1.00 13.67 C +ANISOU 768 CA ASN A 106 2317 1135 1742 243 -515 -96 C +ATOM 769 C ASN A 106 -18.429 21.804 -2.096 1.00 12.73 C +ANISOU 769 C ASN A 106 2149 1398 1288 206 -774 20 C +ATOM 770 O ASN A 106 -17.236 21.734 -2.407 1.00 15.41 O +ANISOU 770 O ASN A 106 2228 1587 2037 230 -796 -36 O +ATOM 771 CB ASN A 106 -18.777 19.310 -1.910 1.00 12.91 C +ANISOU 771 CB ASN A 106 2330 965 1608 292 -684 131 C +ATOM 772 CG ASN A 106 -18.905 18.215 -0.899 1.00 15.55 C +ANISOU 772 CG ASN A 106 2669 1203 2035 49 -1185 419 C +ATOM 773 OD1 ASN A 106 -19.928 17.499 -0.829 1.00 18.59 O +ANISOU 773 OD1 ASN A 106 2632 1985 2446 -146 -940 128 O +ATOM 774 ND2 ASN A 106 -17.898 18.087 -0.091 1.00 16.95 N +ANISOU 774 ND2 ASN A 106 2421 1467 2552 64 -1246 600 N +ATOM 775 N LEU A 107 -19.219 22.840 -2.426 1.00 13.23 N +ANISOU 775 N LEU A 107 2207 1225 1593 268 -691 -92 N +ATOM 776 CA LEU A 107 -18.708 24.016 -3.144 1.00 13.69 C +ANISOU 776 CA LEU A 107 2049 1264 1887 121 -870 32 C +ATOM 777 C LEU A 107 -18.558 25.220 -2.235 1.00 14.58 C +ANISOU 777 C LEU A 107 2456 1416 1668 -198 -659 -9 C +ATOM 778 O LEU A 107 -19.277 25.341 -1.238 1.00 16.54 O +ANISOU 778 O LEU A 107 2635 1403 2246 -132 -598 -182 O +ATOM 779 CB LEU A 107 -19.664 24.431 -4.273 1.00 13.20 C +ANISOU 779 CB LEU A 107 2094 1360 1558 99 -726 35 C +ATOM 780 CG LEU A 107 -20.039 23.305 -5.243 1.00 13.11 C +ANISOU 780 CG LEU A 107 1848 1614 1518 129 -751 -57 C +ATOM 781 CD1 LEU A 107 -21.078 23.793 -6.221 1.00 17.03 C +ANISOU 781 CD1 LEU A 107 2429 2003 2037 173 -1106 440 C +ATOM 782 CD2 LEU A 107 -18.812 22.771 -5.992 1.00 14.60 C +ANISOU 782 CD2 LEU A 107 1755 1744 2046 451 -544 175 C +ATOM 783 N VAL A 108 -17.657 26.129 -2.588 1.00 14.48 N +ANISOU 783 N VAL A 108 1915 1248 2338 -96 -995 148 N +ATOM 784 CA VAL A 108 -17.527 27.397 -1.845 1.00 16.27 C +ANISOU 784 CA VAL A 108 2552 1568 2062 48 -955 -103 C +ATOM 785 C VAL A 108 -18.851 28.186 -1.931 1.00 18.26 C +ANISOU 785 C VAL A 108 2591 1959 2388 92 -716 149 C +ATOM 786 O VAL A 108 -19.513 28.172 -2.975 1.00 17.46 O +ANISOU 786 O VAL A 108 2415 1896 2320 310 -571 281 O +ATOM 787 CB VAL A 108 -16.356 28.209 -2.388 1.00 17.17 C +ANISOU 787 CB VAL A 108 2362 1254 2906 121 -1025 187 C +ATOM 788 CG1 VAL A 108 -16.270 29.592 -1.727 1.00 20.21 C +ANISOU 788 CG1 VAL A 108 3074 1300 3301 -487 -613 54 C +ATOM 789 CG2 VAL A 108 -15.046 27.455 -2.150 1.00 18.12 C +ANISOU 789 CG2 VAL A 108 2476 1640 2768 398 -1009 59 C +ATOM 790 OXT VAL A 108 -19.318 28.816 -0.958 1.00 22.60 O +ANISOU 790 OXT VAL A 108 3589 2063 2932 323 -417 166 O +TER 791 VAL A 108 +HETATM 792 O3 NUT A 201 -23.667 5.839 -16.568 1.00 18.16 O +ANISOU 792 O3 NUT A 201 2971 1682 2248 136 -173 -588 O +HETATM 793 C25 NUT A 201 -23.015 6.538 -15.757 1.00 16.08 C +ANISOU 793 C25 NUT A 201 2123 1719 2267 314 -363 -344 C +HETATM 794 N2 NUT A 201 -21.695 6.402 -15.710 1.00 16.62 N +ANISOU 794 N2 NUT A 201 2187 2008 2117 154 56 -1030 N +HETATM 795 C29 NUT A 201 -21.006 5.564 -16.697 1.00 18.26 C +ANISOU 795 C29 NUT A 201 2767 2416 1753 405 -93 -1129 C +HETATM 796 C28 NUT A 201 -19.624 6.037 -17.066 1.00 21.25 C +ANISOU 796 C28 NUT A 201 3157 2714 2199 536 400 -787 C +HETATM 797 O2 NUT A 201 -19.027 5.438 -17.957 1.00 26.40 O +ANISOU 797 O2 NUT A 201 3704 3591 2733 1379 798 -838 O +HETATM 798 N3 NUT A 201 -19.096 7.088 -16.423 1.00 19.48 N +ANISOU 798 N3 NUT A 201 2555 2737 2107 -18 258 -379 N +HETATM 799 C27 NUT A 201 -19.765 7.777 -15.316 1.00 18.67 C +ANISOU 799 C27 NUT A 201 2451 2591 2049 -86 188 -350 C +HETATM 800 C26 NUT A 201 -20.851 6.955 -14.647 1.00 17.26 C +ANISOU 800 C26 NUT A 201 1996 2035 2527 -202 -446 -317 C +HETATM 801 N1 NUT A 201 -23.728 7.387 -14.970 1.00 13.52 N +ANISOU 801 N1 NUT A 201 2033 1394 1708 -58 -456 -184 N +HETATM 802 C10 NUT A 201 -25.032 7.173 -14.710 1.00 15.25 C +ANISOU 802 C10 NUT A 201 2213 1466 2112 -164 -146 -292 C +HETATM 803 C9 NUT A 201 -25.716 5.849 -14.559 1.00 13.04 C +ANISOU 803 C9 NUT A 201 2045 1190 1718 142 -301 -125 C +HETATM 804 C3 NUT A 201 -27.003 5.643 -15.033 1.00 15.29 C +ANISOU 804 C3 NUT A 201 2308 1346 2152 -343 -478 -226 C +HETATM 805 C2 NUT A 201 -27.636 4.390 -14.872 1.00 13.86 C +ANISOU 805 C2 NUT A 201 2166 1362 1735 -310 -648 -336 C +HETATM 806 C5 NUT A 201 -25.021 4.742 -13.878 1.00 12.69 C +ANISOU 806 C5 NUT A 201 1861 1362 1596 22 -523 5 C +HETATM 807 O1 NUT A 201 -23.751 4.950 -13.415 1.00 14.16 O +ANISOU 807 O1 NUT A 201 1996 1489 1895 66 -794 -20 O +HETATM 808 C6 NUT A 201 -23.077 3.927 -12.640 1.00 14.20 C +ANISOU 808 C6 NUT A 201 2041 1299 2053 187 -837 -266 C +HETATM 809 C8 NUT A 201 -22.445 2.900 -13.586 1.00 17.73 C +ANISOU 809 C8 NUT A 201 2325 1903 2506 434 -583 -502 C +HETATM 810 C7 NUT A 201 -22.063 4.596 -11.718 1.00 16.82 C +ANISOU 810 C7 NUT A 201 2163 1746 2481 -436 -911 -44 C +HETATM 811 C4 NUT A 201 -25.678 3.512 -13.732 1.00 13.78 C +ANISOU 811 C4 NUT A 201 1725 1650 1859 -280 -605 -223 C +HETATM 812 C1 NUT A 201 -26.973 3.348 -14.207 1.00 14.18 C +ANISOU 812 C1 NUT A 201 1738 1722 1927 -308 -598 -37 C +HETATM 813 O NUT A 201 -27.557 2.127 -14.022 1.00 15.19 O +ANISOU 813 O NUT A 201 1823 1762 2183 -300 -672 -257 O +HETATM 814 C NUT A 201 -28.863 1.822 -14.540 1.00 16.25 C +ANISOU 814 C NUT A 201 1824 1736 2613 -235 -905 -177 C +HETATM 815 C18 NUT A 201 -23.330 8.774 -14.740 1.00 15.90 C +ANISOU 815 C18 NUT A 201 2442 1522 2076 3 -340 -673 C +HETATM 816 C19 NUT A 201 -22.897 9.233 -13.374 1.00 13.46 C +ANISOU 816 C19 NUT A 201 1805 1625 1682 -85 -213 -131 C +HETATM 817 C24 NUT A 201 -22.198 10.451 -13.326 1.00 14.37 C +ANISOU 817 C24 NUT A 201 2078 1552 1830 31 -401 -386 C +HETATM 818 C23 NUT A 201 -21.867 10.994 -12.087 1.00 13.16 C +ANISOU 818 C23 NUT A 201 2292 1179 1528 162 -65 -192 C +HETATM 819 C22 NUT A 201 -22.260 10.321 -10.942 1.00 13.69 C +ANISOU 819 C22 NUT A 201 1981 1538 1681 16 -265 80 C +HETATM 820 CL1 NUT A 201 -21.928 11.079 -9.376 1.00 17.12 CL +ANISOU 820 CL1 NUT A 201 2523 1738 2243 286 -664 -259 CL +HETATM 821 C21 NUT A 201 -22.988 9.123 -10.942 1.00 13.60 C +ANISOU 821 C21 NUT A 201 1978 1403 1785 29 -219 -205 C +HETATM 822 C20 NUT A 201 -23.300 8.579 -12.190 1.00 13.58 C +ANISOU 822 C20 NUT A 201 1825 1687 1648 277 -303 -67 C +HETATM 823 C11 NUT A 201 -24.792 9.367 -15.038 1.00 15.99 C +ANISOU 823 C11 NUT A 201 2361 1668 2044 -45 -3 -155 C +HETATM 824 N NUT A 201 -25.707 8.251 -14.709 1.00 15.64 N +ANISOU 824 N NUT A 201 2003 1838 2100 4 -811 -79 N +HETATM 825 C12 NUT A 201 -25.194 10.617 -14.301 1.00 13.29 C +ANISOU 825 C12 NUT A 201 1863 1637 1548 132 -261 61 C +HETATM 826 C17 NUT A 201 -24.980 11.874 -14.865 1.00 14.98 C +ANISOU 826 C17 NUT A 201 1984 1418 2287 32 -363 -191 C +HETATM 827 C16 NUT A 201 -25.355 13.035 -14.145 1.00 14.37 C +ANISOU 827 C16 NUT A 201 1746 1685 2029 121 -477 -301 C +HETATM 828 C15 NUT A 201 -25.935 12.921 -12.864 1.00 14.91 C +ANISOU 828 C15 NUT A 201 2076 1661 1926 -8 -572 -400 C +HETATM 829 CL NUT A 201 -26.417 14.360 -11.915 1.00 18.16 CL +ANISOU 829 CL NUT A 201 2319 1785 2796 87 -444 -559 CL +HETATM 830 C14 NUT A 201 -26.156 11.677 -12.254 1.00 13.49 C +ANISOU 830 C14 NUT A 201 2027 1627 1470 291 -592 -256 C +HETATM 831 C13 NUT A 201 -25.791 10.528 -13.019 1.00 12.86 C +ANISOU 831 C13 NUT A 201 1829 1532 1523 54 -281 -353 C +HETATM 832 S SO4 A 202 -30.284 -1.594 -12.096 0.50 13.77 S +ANISOU 832 S SO4 A 202 2066 1664 1500 -571 -724 -244 S +HETATM 833 O1 SO4 A 202 -29.183 -2.189 -12.837 0.50 13.11 O +ANISOU 833 O1 SO4 A 202 2167 1241 1572 -773 -655 -163 O +HETATM 834 O2 SO4 A 202 -30.937 -0.509 -12.871 0.50 15.40 O +ANISOU 834 O2 SO4 A 202 2040 2226 1583 -452 -582 -115 O +HETATM 835 O3 SO4 A 202 -31.363 -2.531 -11.808 0.50 15.67 O +ANISOU 835 O3 SO4 A 202 2349 1899 1704 -773 -568 -353 O +HETATM 836 O4 SO4 A 202 -29.767 -1.053 -10.801 0.50 13.42 O +ANISOU 836 O4 SO4 A 202 2223 1473 1404 -888 -243 -436 O +HETATM 837 O HOH A 301 -32.477 2.910 -5.224 1.00 34.51 O +ANISOU 837 O HOH A 301 4486 4141 4482 330 760 -432 O +HETATM 838 O HOH A 302 -21.073 31.489 -11.536 1.00 17.23 O +ANISOU 838 O HOH A 302 2331 1973 2242 246 -115 565 O +HETATM 839 O HOH A 303 -28.315 7.881 -0.260 1.00 24.61 O +ANISOU 839 O HOH A 303 3254 3068 3029 229 -334 -370 O +HETATM 840 O HOH A 304 -11.555 25.940 -2.675 1.00 28.19 O +ANISOU 840 O HOH A 304 3214 3249 4247 -1106 -1134 -149 O +HETATM 841 O HOH A 305 -29.730 21.101 -5.749 1.00 13.16 O +ANISOU 841 O HOH A 305 1698 1615 1686 247 -146 19 O +HETATM 842 O HOH A 306 -15.713 19.652 -0.782 1.00 19.66 O +ANISOU 842 O HOH A 306 2857 2045 2565 -43 -734 -32 O +HETATM 843 O HOH A 307 -28.500 8.768 -14.299 1.00 18.91 O +ANISOU 843 O HOH A 307 2708 1626 2851 -38 -666 -371 O +HETATM 844 O HOH A 308 -25.168 25.427 -10.621 1.00 20.24 O +ANISOU 844 O HOH A 308 2953 2788 1950 242 -140 432 O +HETATM 845 O HOH A 309 -24.587 17.719 -15.272 1.00 21.13 O +ANISOU 845 O HOH A 309 3302 2548 2176 332 -205 -129 O +HETATM 846 O HOH A 310 -10.766 7.760 -0.518 1.00 28.31 O +ANISOU 846 O HOH A 310 3027 3048 4678 474 3 374 O +HETATM 847 O HOH A 311 -21.141 15.566 -17.125 1.00 29.85 O +ANISOU 847 O HOH A 311 4655 3946 2740 601 -573 -627 O +HETATM 848 O HOH A 312 -32.148 17.707 -3.033 1.00 21.56 O +ANISOU 848 O HOH A 312 3184 2036 2970 171 573 444 O +HETATM 849 O HOH A 313 -33.466 13.652 -7.152 1.00 21.11 O +ANISOU 849 O HOH A 313 2858 1808 3353 -38 25 288 O +HETATM 850 O HOH A 314 -33.854 14.693 -10.011 1.00 24.60 O +ANISOU 850 O HOH A 314 2446 2846 4055 12 -924 -521 O +HETATM 851 O HOH A 315 -25.641 29.157 -17.112 1.00 21.89 O +ANISOU 851 O HOH A 315 2699 3067 2551 11 421 336 O +HETATM 852 O HOH A 316 -35.294 15.304 -5.786 1.00 31.04 O +ANISOU 852 O HOH A 316 3191 3700 4900 -583 -110 644 O +HETATM 853 O HOH A 317 -23.175 1.109 -9.778 1.00 21.96 O +ANISOU 853 O HOH A 317 3277 2345 2720 270 -685 -569 O +HETATM 854 O HOH A 318 -23.057 30.053 -17.657 1.00 26.24 O +ANISOU 854 O HOH A 318 3865 3131 2974 132 -339 -52 O +HETATM 855 O HOH A 319 -20.580 1.417 0.149 1.00 24.10 O +ANISOU 855 O HOH A 319 3595 2609 2953 -358 -84 -3 O +HETATM 856 O HOH A 320 -32.776 -2.086 -9.425 1.00 32.27 O +ANISOU 856 O HOH A 320 4096 4343 3822 -757 -687 252 O +HETATM 857 O HOH A 321 -18.055 28.753 1.475 1.00 30.35 O +ANISOU 857 O HOH A 321 4258 4469 2804 551 -1115 -867 O +HETATM 858 O HOH A 322 -24.190 27.223 -8.864 0.50 20.53 O +ANISOU 858 O HOH A 322 2901 2331 2569 966 -469 481 O +HETATM 859 O HOH A 323 -23.655 15.375 -16.466 1.00 30.01 O +ANISOU 859 O HOH A 323 4355 3220 3824 783 -395 -304 O +HETATM 860 O HOH A 324 -15.726 27.437 1.823 1.00 22.18 O +ANISOU 860 O HOH A 324 2856 2745 2823 332 -197 378 O +HETATM 861 O HOH A 325 -11.629 27.687 -0.731 1.00 31.77 O +ANISOU 861 O HOH A 325 3130 4321 4620 -1120 -691 -506 O +HETATM 862 O HOH A 326 -19.575 22.553 -19.244 1.00 29.51 O +ANISOU 862 O HOH A 326 4268 4320 2624 1442 -7 195 O +HETATM 863 O HOH A 327 -16.548 8.467 -17.045 1.00 29.99 O +ANISOU 863 O HOH A 327 3080 3840 4474 -446 388 -456 O +HETATM 864 O HOH A 328 -13.520 28.845 1.130 1.00 24.91 O +ANISOU 864 O HOH A 328 3190 2743 3532 -405 -547 300 O +HETATM 865 O HOH A 329 -29.349 15.197 -1.178 1.00 32.78 O +ANISOU 865 O HOH A 329 3447 3782 5224 600 -925 260 O +HETATM 866 O HOH A 330 -26.516 9.472 -18.351 1.00 50.31 O +ANISOU 866 O HOH A 330 7703 6308 5103 -2268 -1195 113 O +HETATM 867 O HOH A 331 -30.647 -5.141 -11.193 1.00 35.43 O +ANISOU 867 O HOH A 331 4688 3215 5558 -915 -290 -127 O +HETATM 868 O HOH A 332 -29.739 8.406 -3.351 1.00 27.45 O +ANISOU 868 O HOH A 332 2298 4883 3249 309 434 -1055 O +HETATM 869 O HOH A 333 -32.615 18.315 -0.267 1.00 40.52 O +ANISOU 869 O HOH A 333 6030 5079 4286 809 984 942 O +HETATM 870 O HOH A 334 -18.096 10.668 -16.231 1.00 28.49 O +ANISOU 870 O HOH A 334 4670 3043 3109 -513 -835 381 O +HETATM 871 O HOH A 335 -30.545 6.891 -14.699 1.00 32.51 O +ANISOU 871 O HOH A 335 3147 3196 6009 384 -1526 -1547 O +HETATM 872 O HOH A 336 -32.667 22.729 -19.999 1.00 32.53 O +ANISOU 872 O HOH A 336 5165 4550 2643 682 -1754 426 O +HETATM 873 O HOH A 337 -36.133 21.855 -13.565 1.00 36.13 O +ANISOU 873 O HOH A 337 3511 5815 4401 2099 -422 -56 O +HETATM 874 O HOH A 338 -25.569 6.744 -18.311 1.00 28.01 O +ANISOU 874 O HOH A 338 4979 2401 3261 323 -1845 -228 O +HETATM 875 O HOH A 339 -8.396 8.049 -13.855 1.00 45.37 O +ANISOU 875 O HOH A 339 6279 5767 5191 -176 269 737 O +HETATM 876 O HOH A 340 -11.431 25.079 -6.093 1.00 32.32 O +ANISOU 876 O HOH A 340 3236 5063 3982 -1468 -562 307 O +HETATM 877 O HOH A 341 -7.181 20.220 -2.867 1.00 34.57 O +ANISOU 877 O HOH A 341 3073 4558 5502 198 185 -899 O +HETATM 878 O HOH A 342 -10.004 4.919 -0.158 1.00 50.44 O +ANISOU 878 O HOH A 342 6204 6340 6621 2196 -2392 1278 O +HETATM 879 O HOH A 343 -28.809 4.090 -1.785 1.00 32.90 O +ANISOU 879 O HOH A 343 3638 4156 4706 446 461 61 O +HETATM 880 O HOH A 344 -19.231 12.823 6.366 1.00 38.00 O +ANISOU 880 O HOH A 344 6775 4104 3556 477 -935 -599 O +HETATM 881 O HOH A 345 -18.635 20.640 3.113 1.00 32.80 O +ANISOU 881 O HOH A 345 4129 4621 3711 -373 -1433 1375 O +HETATM 882 O HOH A 346 -6.907 23.177 -3.075 1.00 44.92 O +ANISOU 882 O HOH A 346 5646 6470 4950 -2097 -501 -1141 O +HETATM 883 O HOH A 347 -19.141 27.767 3.847 1.00 37.34 O +ANISOU 883 O HOH A 347 4472 6030 3685 791 -625 1201 O +HETATM 884 O HOH A 348 -33.594 5.970 -7.211 1.00 36.08 O +ANISOU 884 O HOH A 348 2695 5361 5652 -742 -828 132 O +HETATM 885 O HOH A 349 -10.363 27.585 -5.098 1.00 43.47 O +ANISOU 885 O HOH A 349 4280 7131 5104 -2901 -449 1161 O +HETATM 886 O HOH A 350 -34.526 17.065 -3.765 1.00 31.34 O +ANISOU 886 O HOH A 350 3530 4849 3528 643 55 949 O +HETATM 887 O HOH A 351 -4.764 16.656 -11.744 1.00 37.65 O +ANISOU 887 O HOH A 351 3139 5195 5969 280 850 1057 O +HETATM 888 O HOH A 352 -35.090 20.640 -16.307 1.00 45.52 O +ANISOU 888 O HOH A 352 6261 4255 6779 -1692 -1525 -1257 O +HETATM 889 O HOH A 353 -17.124 3.085 8.159 1.00 41.49 O +ANISOU 889 O HOH A 353 5672 2939 7153 -204 -119 273 O +HETATM 890 O HOH A 354 -9.405 20.379 -16.286 1.00 41.02 O +ANISOU 890 O HOH A 354 5177 4847 5559 2138 204 529 O +HETATM 891 O HOH A 355 -5.656 14.860 -5.856 1.00 33.90 O +ANISOU 891 O HOH A 355 2167 6295 4418 164 -615 -355 O +HETATM 892 O HOH A 356 -26.202 13.562 2.174 1.00 32.86 O +ANISOU 892 O HOH A 356 3848 4175 4461 -98 -330 -65 O +HETATM 893 O HOH A 357 -9.487 9.363 -2.837 1.00 50.15 O +ANISOU 893 O HOH A 357 5017 7900 6135 -1643 -2375 987 O +HETATM 894 O HOH A 358 -35.358 11.214 -10.602 1.00 44.53 O +ANISOU 894 O HOH A 358 3633 6404 6880 -514 -2074 943 O +HETATM 895 O HOH A 359 -8.196 30.056 -7.599 1.00 51.55 O +ANISOU 895 O HOH A 359 4893 8162 6530 65 -732 1587 O +HETATM 896 O HOH A 360 -14.907 25.644 -17.050 1.00 38.67 O +ANISOU 896 O HOH A 360 5754 4282 4656 -892 1807 146 O +HETATM 897 O HOH A 361 -12.914 3.235 -2.055 1.00 35.19 O +ANISOU 897 O HOH A 361 4926 2272 6169 -60 -1323 562 O +HETATM 898 O HOH A 362 -25.253 8.876 6.253 1.00 36.55 O +ANISOU 898 O HOH A 362 5874 4510 3500 -796 1144 951 O +HETATM 899 O HOH A 363 -25.946 21.223 -20.748 1.00 44.95 O +ANISOU 899 O HOH A 363 8190 4360 4528 1877 -1029 -1023 O +HETATM 900 O HOH A 364 -25.606 17.054 -19.586 1.00 40.98 O +ANISOU 900 O HOH A 364 6687 4890 3994 -338 881 -707 O +HETATM 901 O HOH A 365 -23.867 30.951 -20.265 1.00 35.64 O +ANISOU 901 O HOH A 365 5348 4417 3775 633 719 1477 O +HETATM 902 O HOH A 366 -28.624 10.318 -17.108 1.00 40.10 O +ANISOU 902 O HOH A 366 6442 5388 3403 -351 -612 160 O +HETATM 903 O HOH A 367 -12.852 26.938 -15.528 1.00 43.55 O +ANISOU 903 O HOH A 367 5331 7146 4069 1441 1120 2072 O +HETATM 904 O HOH A 368 -11.989 1.523 -4.406 1.00 43.79 O +ANISOU 904 O HOH A 368 5596 3926 7115 1259 -2019 236 O +HETATM 905 O HOH A 369 -14.333 31.475 0.830 1.00 41.82 O +ANISOU 905 O HOH A 369 5424 3955 6509 -205 -1349 -642 O +HETATM 906 O HOH A 370 -17.552 -0.429 3.606 1.00 31.84 O +ANISOU 906 O HOH A 370 4464 2747 4887 -610 -829 667 O +HETATM 907 O HOH A 371 -20.412 4.362 5.912 1.00 41.17 O +ANISOU 907 O HOH A 371 6177 4048 5415 -173 -1354 -536 O +HETATM 908 O HOH A 372 -26.340 29.195 -19.677 1.00 35.96 O +ANISOU 908 O HOH A 372 4199 5136 4327 -377 -399 1929 O +HETATM 909 O HOH A 373 -17.876 5.529 5.038 1.00 44.48 O +ANISOU 909 O HOH A 373 6818 5474 4606 -1898 617 612 O +HETATM 910 O HOH A 374 -21.545 22.939 3.207 1.00 41.09 O +ANISOU 910 O HOH A 374 4938 6995 3679 1452 -327 -494 O +HETATM 911 O HOH A 375 -5.155 12.598 -4.137 1.00 52.93 O +ANISOU 911 O HOH A 375 6583 7587 5940 3281 -1561 -924 O +HETATM 912 O HOH A 376 -17.868 17.741 -19.527 1.00 46.26 O +ANISOU 912 O HOH A 376 7174 5611 4788 -33 -1863 2064 O +HETATM 913 O HOH A 377 -28.507 12.243 0.628 1.00 40.62 O +ANISOU 913 O HOH A 377 4008 4380 7043 -1668 749 -199 O +HETATM 914 O HOH A 378 -27.323 5.256 2.086 1.00 47.28 O +ANISOU 914 O HOH A 378 4643 8949 4371 -803 -824 2245 O +HETATM 915 O HOH A 379 -17.274 8.900 -19.929 1.00 51.37 O +ANISOU 915 O HOH A 379 7306 7331 4881 1723 831 82 O +HETATM 916 O HOH A 380 -2.647 11.654 -9.621 1.00 55.85 O +ANISOU 916 O HOH A 380 6743 4122 10356 602 905 757 O +HETATM 917 O HOH A 381 -25.077 13.669 -17.976 1.00 39.69 O +ANISOU 917 O HOH A 381 5668 5157 4253 -1282 -1001 432 O +HETATM 918 O HOH A 382 -3.705 12.473 -7.178 1.00 45.41 O +ANISOU 918 O HOH A 382 5811 3921 7519 608 -1372 -1032 O +HETATM 919 O HOH A 383 -20.580 28.794 -18.996 1.00 45.56 O +ANISOU 919 O HOH A 383 4571 8522 4217 -800 1309 -68 O +HETATM 920 O HOH A 384 -19.057 19.993 -20.347 1.00 45.70 O +ANISOU 920 O HOH A 384 6703 6822 3837 324 276 346 O +HETATM 921 O HOH A 385 -1.397 17.273 -19.788 1.00 53.73 O +ANISOU 921 O HOH A 385 9236 5997 5181 416 934 -1182 O +HETATM 922 O HOH A 386 -9.113 1.683 -2.526 1.00 53.38 O +ANISOU 922 O HOH A 386 7689 5315 7277 2133 -428 -1107 O +HETATM 923 O HOH A 387 -20.995 26.561 -20.478 1.00 43.70 O +ANISOU 923 O HOH A 387 5654 6354 4594 -939 861 -1520 O +HETATM 924 O HOH A 388 -0.317 19.473 -18.228 1.00 53.87 O +ANISOU 924 O HOH A 388 6532 7955 5978 1373 -209 849 O +HETATM 925 O HOH A 389 -15.864 2.562 -1.345 1.00 44.97 O +ANISOU 925 O HOH A 389 5124 6041 5921 -373 274 75 O +HETATM 926 O HOH A 390 -28.675 10.316 -1.608 1.00 33.55 O +ANISOU 926 O HOH A 390 5853 2668 4226 -485 -818 -806 O +HETATM 927 O HOH A 391 -29.290 15.834 -15.443 1.00 27.18 O +ANISOU 927 O HOH A 391 4908 1291 4125 903 149 -9 O +HETATM 928 O HOH A 392 -31.944 26.199 -19.260 1.00 26.05 O +ANISOU 928 O HOH A 392 2370 3523 4002 -586 687 -883 O +HETATM 929 O HOH A 393 -34.565 20.536 -11.717 1.00 22.82 O +ANISOU 929 O HOH A 393 2879 2967 2823 -567 -808 250 O +HETATM 930 O HOH A 394 -27.648 -1.487 -1.526 1.00 32.57 O +ANISOU 930 O HOH A 394 4992 4124 3257 -1093 64 -274 O +HETATM 931 O HOH A 395 -35.145 17.242 -10.864 1.00 41.48 O +ANISOU 931 O HOH A 395 4900 5597 5260 1494 -2590 -732 O +HETATM 932 O HOH A 396 -27.525 14.406 -16.717 1.00 41.22 O +ANISOU 932 O HOH A 396 3889 7188 4582 911 98 -88 O +HETATM 933 O HOH A 397 -8.370 11.218 -4.198 1.00 51.28 O +ANISOU 933 O HOH A 397 4047 7790 7648 1053 126 122 O +CONECT 792 793 +CONECT 793 792 794 801 +CONECT 794 793 795 800 +CONECT 795 794 796 +CONECT 796 795 797 798 +CONECT 797 796 +CONECT 798 796 799 +CONECT 799 798 800 +CONECT 800 794 799 +CONECT 801 793 802 815 +CONECT 802 801 803 824 +CONECT 803 802 804 806 +CONECT 804 803 805 +CONECT 805 804 812 +CONECT 806 803 807 811 +CONECT 807 806 808 +CONECT 808 807 809 810 +CONECT 809 808 +CONECT 810 808 +CONECT 811 806 812 +CONECT 812 805 811 813 +CONECT 813 812 814 +CONECT 814 813 +CONECT 815 801 816 823 +CONECT 816 815 817 822 +CONECT 817 816 818 +CONECT 818 817 819 +CONECT 819 818 820 821 +CONECT 820 819 +CONECT 821 819 822 +CONECT 822 816 821 +CONECT 823 815 824 825 +CONECT 824 802 823 +CONECT 825 823 826 831 +CONECT 826 825 827 +CONECT 827 826 828 +CONECT 828 827 829 830 +CONECT 829 828 +CONECT 830 828 831 +CONECT 831 825 830 +CONECT 832 833 834 835 836 +CONECT 833 832 +CONECT 834 832 +CONECT 835 832 +CONECT 836 832 +MASTER 308 0 2 5 4 0 7 6 886 1 45 8 +END diff --git a/data/targets/ppi_sanity_check/mdm2_1ycr.pdb b/data/targets/ppi_sanity_check/mdm2_1ycr.pdb new file mode 100644 index 0000000000000000000000000000000000000000..10bea8fd1c089ff28184fde5c3e5161fbd6fc1c0 --- /dev/null +++ b/data/targets/ppi_sanity_check/mdm2_1ycr.pdb @@ -0,0 +1,1161 @@ +HEADER COMPLEX (ONCOGENE PROTEIN/PEPTIDE) 30-SEP-96 1YCR +TITLE MDM2 BOUND TO THE TRANSACTIVATION DOMAIN OF P53 +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: MDM2; +COMPND 3 CHAIN: A; +COMPND 4 FRAGMENT: RESIDUES 17 - 125; +COMPND 5 SYNONYM: MDM2; +COMPND 6 ENGINEERED: YES; +COMPND 7 MOL_ID: 2; +COMPND 8 MOLECULE: P53; +COMPND 9 CHAIN: B; +COMPND 10 FRAGMENT: RESIDUES 15 - 29; +COMPND 11 ENGINEERED: YES +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; +SOURCE 3 ORGANISM_COMMON: HUMAN; +SOURCE 4 ORGANISM_TAXID: 9606; +SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; +SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; +SOURCE 7 EXPRESSION_SYSTEM_PLASMID: PET3D; +SOURCE 8 MOL_ID: 2 +KEYWDS ANTI-ONCOGENE, DNA-BINDING, TRANSCRIPTION REGULATION, NUCLEAR +KEYWDS 2 PROTEIN, COMPLEX (ONCOGENE PROTEIN-PEPTIDE), PHOSPHORYLATION, +KEYWDS 3 ACTIVATOR, COMPLEX (ONCOGENE PROTEIN-PEPTIDE) COMPLEX +EXPDTA X-RAY DIFFRACTION +AUTHOR P.H.KUSSIE,N.P.PAVLETICH +REVDAT 5 14-FEB-24 1YCR 1 REMARK +REVDAT 4 14-AUG-19 1YCR 1 REMARK +REVDAT 3 17-JUL-19 1YCR 1 REMARK +REVDAT 2 24-FEB-09 1YCR 1 VERSN +REVDAT 1 19-NOV-97 1YCR 0 +JRNL AUTH P.H.KUSSIE,S.GORINA,V.MARECHAL,B.ELENBAAS,J.MOREAU, +JRNL AUTH 2 A.J.LEVINE,N.P.PAVLETICH +JRNL TITL STRUCTURE OF THE MDM2 ONCOPROTEIN BOUND TO THE P53 TUMOR +JRNL TITL 2 SUPPRESSOR TRANSACTIVATION DOMAIN. +JRNL REF SCIENCE V. 274 948 1996 +JRNL REFN ISSN 0036-8075 +JRNL PMID 8875929 +JRNL DOI 10.1126/SCIENCE.274.5289.948 +REMARK 2 +REMARK 2 RESOLUTION. 2.60 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : X-PLOR 3.1 +REMARK 3 AUTHORS : BRUNGER +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.60 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 8.00 +REMARK 3 DATA CUTOFF (SIGMA(F)) : 1.000 +REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL +REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL +REMARK 3 COMPLETENESS (WORKING+TEST) (%) : NULL +REMARK 3 NUMBER OF REFLECTIONS : 3293 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 CROSS-VALIDATION METHOD : NULL +REMARK 3 FREE R VALUE TEST SET SELECTION : NULL +REMARK 3 R VALUE (WORKING SET) : 0.200 +REMARK 3 FREE R VALUE : 0.276 +REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL +REMARK 3 FREE R VALUE TEST SET COUNT : NULL +REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL +REMARK 3 +REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. +REMARK 3 TOTAL NUMBER OF BINS USED : NULL +REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL +REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL +REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL +REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL +REMARK 3 BIN R VALUE (WORKING SET) : NULL +REMARK 3 BIN FREE R VALUE : NULL +REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL +REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL +REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 818 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 0 +REMARK 3 SOLVENT ATOMS : 0 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : NULL +REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : NULL +REMARK 3 B22 (A**2) : NULL +REMARK 3 B33 (A**2) : NULL +REMARK 3 B12 (A**2) : NULL +REMARK 3 B13 (A**2) : NULL +REMARK 3 B23 (A**2) : NULL +REMARK 3 +REMARK 3 ESTIMATED COORDINATE ERROR. +REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL +REMARK 3 ESD FROM SIGMAA (A) : NULL +REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL +REMARK 3 +REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. +REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL +REMARK 3 ESD FROM C-V SIGMAA (A) : NULL +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. +REMARK 3 BOND LENGTHS (A) : 0.013 +REMARK 3 BOND ANGLES (DEGREES) : 1.550 +REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL +REMARK 3 IMPROPER ANGLES (DEGREES) : NULL +REMARK 3 +REMARK 3 ISOTROPIC THERMAL MODEL : NULL +REMARK 3 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA +REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL +REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL +REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL +REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL +REMARK 3 +REMARK 3 NCS MODEL : NULL +REMARK 3 +REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT +REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL +REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL +REMARK 3 +REMARK 3 PARAMETER FILE 1 : NULL +REMARK 3 TOPOLOGY FILE 1 : NULL +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: NULL +REMARK 4 +REMARK 4 1YCR COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. +REMARK 100 THE DEPOSITION ID IS D_1000177367. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : 25-JUL-96 +REMARK 200 TEMPERATURE (KELVIN) : NULL +REMARK 200 PH : NULL +REMARK 200 NUMBER OF CRYSTALS USED : NULL +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : N +REMARK 200 RADIATION SOURCE : NULL +REMARK 200 BEAMLINE : NULL +REMARK 200 X-RAY GENERATOR MODEL : NULL +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 +REMARK 200 MONOCHROMATOR : NULL +REMARK 200 OPTICS : NULL +REMARK 200 +REMARK 200 DETECTOR TYPE : IMAGE PLATE +REMARK 200 DETECTOR MANUFACTURER : RIGAKU +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL +REMARK 200 DATA SCALING SOFTWARE : NULL +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 3559 +REMARK 200 RESOLUTION RANGE HIGH (A) : NULL +REMARK 200 RESOLUTION RANGE LOW (A) : NULL +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 90.0 +REMARK 200 DATA REDUNDANCY : 4.500 +REMARK 200 R MERGE (I) : 0.05200 +REMARK 200 R SYM (I) : NULL +REMARK 200 FOR THE DATA SET : NULL +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL +REMARK 200 COMPLETENESS FOR SHELL (%) : NULL +REMARK 200 DATA REDUNDANCY IN SHELL : NULL +REMARK 200 R MERGE FOR SHELL (I) : NULL +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 FOR SHELL : NULL +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: NULL +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL +REMARK 200 SOFTWARE USED: X-PLOR 3.1 +REMARK 200 STARTING MODEL: NULL +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 41.03 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.09 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: NULL +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 2 2 21 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -X,-Y,Z+1/2 +REMARK 290 3555 -X,Y,-Z+1/2 +REMARK 290 4555 X,-Y,-Z +REMARK 290 5555 X+1/2,Y+1/2,Z +REMARK 290 6555 -X+1/2,-Y+1/2,Z+1/2 +REMARK 290 7555 -X+1/2,Y+1/2,-Z+1/2 +REMARK 290 8555 X+1/2,-Y+1/2,-Z +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 27.42650 +REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 27.42650 +REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 21.70700 +REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 50.27300 +REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 21.70700 +REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 50.27300 +REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 27.42650 +REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 21.70700 +REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 50.27300 +REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 27.42650 +REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 21.70700 +REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 50.27300 +REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 1440 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 5440 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -12.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 465 +REMARK 465 MISSING RESIDUES +REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE +REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) +REMARK 465 +REMARK 465 M RES C SSSEQI +REMARK 465 SER A 17 +REMARK 465 GLN A 18 +REMARK 465 ILE A 19 +REMARK 465 PRO A 20 +REMARK 465 ALA A 21 +REMARK 465 SER A 22 +REMARK 465 GLU A 23 +REMARK 465 GLN A 24 +REMARK 465 VAL A 110 +REMARK 465 ASN A 111 +REMARK 465 GLN A 112 +REMARK 465 GLN A 113 +REMARK 465 GLU A 114 +REMARK 465 SER A 115 +REMARK 465 SER A 116 +REMARK 465 ASP A 117 +REMARK 465 SER A 118 +REMARK 465 GLY A 119 +REMARK 465 THR A 120 +REMARK 465 SER A 121 +REMARK 465 VAL A 122 +REMARK 465 SER A 123 +REMARK 465 GLU A 124 +REMARK 465 ASN A 125 +REMARK 465 SER B 15 +REMARK 465 GLN B 16 +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 ALA A 43 90.74 -69.28 +REMARK 500 ARG A 65 45.24 28.06 +REMARK 500 GLN A 71 79.07 -105.81 +REMARK 500 CYS A 77 18.22 -140.46 +REMARK 500 +REMARK 500 REMARK: NULL +DBREF 1YCR A 17 125 UNP Q00987 MDM2_HUMAN 17 125 +DBREF 1YCR B 15 29 UNP P04637 P53_HUMAN 15 29 +SEQRES 1 A 109 SER GLN ILE PRO ALA SER GLU GLN GLU THR LEU VAL ARG +SEQRES 2 A 109 PRO LYS PRO LEU LEU LEU LYS LEU LEU LYS SER VAL GLY +SEQRES 3 A 109 ALA GLN LYS ASP THR TYR THR MET LYS GLU VAL LEU PHE +SEQRES 4 A 109 TYR LEU GLY GLN TYR ILE MET THR LYS ARG LEU TYR ASP +SEQRES 5 A 109 GLU LYS GLN GLN HIS ILE VAL TYR CYS SER ASN ASP LEU +SEQRES 6 A 109 LEU GLY ASP LEU PHE GLY VAL PRO SER PHE SER VAL LYS +SEQRES 7 A 109 GLU HIS ARG LYS ILE TYR THR MET ILE TYR ARG ASN LEU +SEQRES 8 A 109 VAL VAL VAL ASN GLN GLN GLU SER SER ASP SER GLY THR +SEQRES 9 A 109 SER VAL SER GLU ASN +SEQRES 1 B 15 SER GLN GLU THR PHE SER ASP LEU TRP LYS LEU LEU PRO +SEQRES 2 B 15 GLU ASN +HELIX 1 1 PRO A 32 VAL A 41 1 10 +HELIX 2 2 MET A 50 THR A 63 1 14 +HELIX 3 3 LEU A 81 PHE A 86 1 6 +HELIX 4 4 HIS A 96 ASN A 106 1 11 +HELIX 5 5 PHE B 19 LEU B 25 1 7 +SHEET 1 A 2 ILE A 74 TYR A 76 0 +SHEET 2 A 2 SER A 90 SER A 92 -1 N PHE A 91 O VAL A 75 +CRYST1 43.414 100.546 54.853 90.00 90.00 90.00 C 2 2 21 8 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.023034 0.000000 0.000000 0.00000 +SCALE2 0.000000 0.009946 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.018231 0.00000 +ATOM 1 N GLU A 25 10.801 -12.147 -5.180 1.00 49.08 N +ATOM 2 CA GLU A 25 11.124 -13.382 -4.414 1.00 50.43 C +ATOM 3 C GLU A 25 11.769 -12.878 -3.130 1.00 49.75 C +ATOM 4 O GLU A 25 11.175 -12.047 -2.441 1.00 49.34 O +ATOM 5 CB GLU A 25 12.075 -14.259 -5.228 1.00 53.69 C +ATOM 6 CG GLU A 25 11.564 -14.543 -6.638 1.00 57.47 C +ATOM 7 CD GLU A 25 12.414 -15.556 -7.397 1.00 61.03 C +ATOM 8 OE1 GLU A 25 12.439 -16.745 -6.995 1.00 61.91 O +ATOM 9 OE2 GLU A 25 13.043 -15.163 -8.409 1.00 62.06 O +ATOM 10 N THR A 26 12.965 -13.355 -2.800 1.00 49.81 N +ATOM 11 CA THR A 26 13.656 -12.864 -1.611 1.00 48.43 C +ATOM 12 C THR A 26 14.518 -11.718 -2.102 1.00 44.63 C +ATOM 13 O THR A 26 15.519 -11.956 -2.778 1.00 45.84 O +ATOM 14 CB THR A 26 14.598 -13.915 -1.009 1.00 49.13 C +ATOM 15 OG1 THR A 26 15.478 -14.396 -2.032 1.00 49.45 O +ATOM 16 CG2 THR A 26 13.804 -15.068 -0.397 1.00 49.70 C +ATOM 17 N LEU A 27 14.081 -10.486 -1.869 1.00 38.63 N +ATOM 18 CA LEU A 27 14.863 -9.337 -2.294 1.00 35.16 C +ATOM 19 C LEU A 27 15.877 -8.978 -1.213 1.00 32.59 C +ATOM 20 O LEU A 27 15.495 -8.696 -0.082 1.00 30.66 O +ATOM 21 CB LEU A 27 13.960 -8.146 -2.616 1.00 32.87 C +ATOM 22 CG LEU A 27 13.336 -8.100 -4.010 1.00 29.89 C +ATOM 23 CD1 LEU A 27 13.942 -6.978 -4.794 1.00 29.32 C +ATOM 24 CD2 LEU A 27 13.546 -9.397 -4.744 1.00 27.86 C +ATOM 25 N VAL A 28 17.162 -9.063 -1.553 1.00 30.41 N +ATOM 26 CA VAL A 28 18.243 -8.753 -0.623 1.00 26.97 C +ATOM 27 C VAL A 28 19.056 -7.585 -1.146 1.00 29.59 C +ATOM 28 O VAL A 28 18.977 -7.247 -2.329 1.00 29.91 O +ATOM 29 CB VAL A 28 19.188 -9.980 -0.384 1.00 20.37 C +ATOM 30 CG1 VAL A 28 18.428 -11.110 0.261 1.00 17.22 C +ATOM 31 CG2 VAL A 28 19.819 -10.441 -1.688 1.00 19.17 C +ATOM 32 N ARG A 29 19.785 -6.941 -0.241 1.00 33.20 N +ATOM 33 CA ARG A 29 20.650 -5.812 -0.577 1.00 37.19 C +ATOM 34 C ARG A 29 22.031 -6.257 -0.132 1.00 34.37 C +ATOM 35 O ARG A 29 22.238 -6.530 1.050 1.00 35.05 O +ATOM 36 CB ARG A 29 20.239 -4.577 0.213 1.00 46.45 C +ATOM 37 CG ARG A 29 20.885 -3.295 -0.264 1.00 56.87 C +ATOM 38 CD ARG A 29 20.354 -2.071 0.489 1.00 62.95 C +ATOM 39 NE ARG A 29 18.892 -1.904 0.445 1.00 67.51 N +ATOM 40 CZ ARG A 29 18.168 -1.674 -0.657 1.00 69.80 C +ATOM 41 NH1 ARG A 29 18.743 -1.578 -1.853 1.00 70.00 N +ATOM 42 NH2 ARG A 29 16.853 -1.509 -0.560 1.00 70.00 N +ATOM 43 N PRO A 30 22.976 -6.407 -1.075 1.00 32.61 N +ATOM 44 CA PRO A 30 24.328 -6.842 -0.726 1.00 31.66 C +ATOM 45 C PRO A 30 25.179 -5.801 0.008 1.00 31.16 C +ATOM 46 O PRO A 30 25.136 -4.598 -0.297 1.00 33.84 O +ATOM 47 CB PRO A 30 24.915 -7.215 -2.086 1.00 31.15 C +ATOM 48 CG PRO A 30 24.291 -6.227 -2.989 1.00 31.13 C +ATOM 49 CD PRO A 30 22.853 -6.222 -2.532 1.00 32.34 C +ATOM 50 N LYS A 31 25.928 -6.279 0.997 1.00 26.84 N +ATOM 51 CA LYS A 31 26.812 -5.440 1.782 1.00 25.65 C +ATOM 52 C LYS A 31 27.962 -4.950 0.897 1.00 25.77 C +ATOM 53 O LYS A 31 28.271 -5.569 -0.123 1.00 24.89 O +ATOM 54 CB LYS A 31 27.298 -6.203 3.022 1.00 27.30 C +ATOM 55 CG LYS A 31 26.247 -6.219 4.140 1.00 28.71 C +ATOM 56 CD LYS A 31 26.650 -7.040 5.370 1.00 31.15 C +ATOM 57 CE LYS A 31 25.543 -6.988 6.439 1.00 31.90 C +ATOM 58 NZ LYS A 31 25.561 -8.096 7.463 1.00 32.60 N +ATOM 59 N PRO A 32 28.632 -3.852 1.294 1.00 27.32 N +ATOM 60 CA PRO A 32 29.752 -3.210 0.585 1.00 28.83 C +ATOM 61 C PRO A 32 30.758 -4.109 -0.155 1.00 28.49 C +ATOM 62 O PRO A 32 30.962 -3.960 -1.368 1.00 26.97 O +ATOM 63 CB PRO A 32 30.415 -2.397 1.693 1.00 30.47 C +ATOM 64 CG PRO A 32 29.249 -1.972 2.513 1.00 29.36 C +ATOM 65 CD PRO A 32 28.486 -3.257 2.637 1.00 27.44 C +ATOM 66 N LEU A 33 31.405 -5.018 0.569 1.00 28.99 N +ATOM 67 CA LEU A 33 32.370 -5.908 -0.059 1.00 30.75 C +ATOM 68 C LEU A 33 31.709 -6.751 -1.160 1.00 29.16 C +ATOM 69 O LEU A 33 32.216 -6.834 -2.292 1.00 28.31 O +ATOM 70 CB LEU A 33 33.014 -6.811 1.000 1.00 34.41 C +ATOM 71 CG LEU A 33 34.513 -6.663 1.322 1.00 36.11 C +ATOM 72 CD1 LEU A 33 34.816 -5.269 1.837 1.00 35.52 C +ATOM 73 CD2 LEU A 33 34.923 -7.714 2.356 1.00 36.44 C +ATOM 74 N LEU A 34 30.544 -7.316 -0.838 1.00 26.60 N +ATOM 75 CA LEU A 34 29.801 -8.160 -1.765 1.00 24.24 C +ATOM 76 C LEU A 34 29.264 -7.399 -2.961 1.00 23.47 C +ATOM 77 O LEU A 34 29.189 -7.933 -4.068 1.00 24.63 O +ATOM 78 CB LEU A 34 28.655 -8.872 -1.044 1.00 23.85 C +ATOM 79 CG LEU A 34 27.797 -9.797 -1.918 1.00 22.79 C +ATOM 80 CD1 LEU A 34 28.677 -10.890 -2.495 1.00 20.28 C +ATOM 81 CD2 LEU A 34 26.620 -10.369 -1.110 1.00 22.38 C +ATOM 82 N LEU A 35 28.892 -6.149 -2.747 1.00 22.96 N +ATOM 83 CA LEU A 35 28.366 -5.336 -3.833 1.00 23.98 C +ATOM 84 C LEU A 35 29.470 -5.044 -4.855 1.00 26.54 C +ATOM 85 O LEU A 35 29.231 -5.039 -6.069 1.00 27.25 O +ATOM 86 CB LEU A 35 27.784 -4.054 -3.268 1.00 22.75 C +ATOM 87 CG LEU A 35 26.684 -3.377 -4.074 1.00 23.66 C +ATOM 88 CD1 LEU A 35 27.195 -2.000 -4.438 1.00 26.56 C +ATOM 89 CD2 LEU A 35 26.257 -4.189 -5.304 1.00 21.58 C +ATOM 90 N LYS A 36 30.678 -4.830 -4.340 1.00 28.69 N +ATOM 91 CA LYS A 36 31.883 -4.570 -5.132 1.00 31.72 C +ATOM 92 C LYS A 36 32.209 -5.825 -5.981 1.00 31.71 C +ATOM 93 O LYS A 36 32.513 -5.730 -7.173 1.00 33.69 O +ATOM 94 CB LYS A 36 33.029 -4.269 -4.166 1.00 35.41 C +ATOM 95 CG LYS A 36 34.359 -4.005 -4.810 1.00 39.49 C +ATOM 96 CD LYS A 36 35.454 -4.022 -3.755 1.00 43.89 C +ATOM 97 CE LYS A 36 35.130 -3.090 -2.589 1.00 46.95 C +ATOM 98 NZ LYS A 36 36.283 -2.868 -1.655 1.00 47.38 N +ATOM 99 N LEU A 37 32.162 -6.990 -5.339 1.00 27.34 N +ATOM 100 CA LEU A 37 32.387 -8.279 -5.983 1.00 24.68 C +ATOM 101 C LEU A 37 31.378 -8.413 -7.125 1.00 25.88 C +ATOM 102 O LEU A 37 31.711 -8.866 -8.216 1.00 23.86 O +ATOM 103 CB LEU A 37 32.113 -9.371 -4.943 1.00 25.16 C +ATOM 104 CG LEU A 37 32.290 -10.884 -5.107 1.00 26.21 C +ATOM 105 CD1 LEU A 37 31.802 -11.369 -6.456 1.00 27.27 C +ATOM 106 CD2 LEU A 37 33.737 -11.232 -4.901 1.00 26.79 C +ATOM 107 N LEU A 38 30.130 -8.030 -6.846 1.00 30.28 N +ATOM 108 CA LEU A 38 29.030 -8.111 -7.813 1.00 29.47 C +ATOM 109 C LEU A 38 29.248 -7.215 -9.012 1.00 31.49 C +ATOM 110 O LEU A 38 29.178 -7.680 -10.151 1.00 31.19 O +ATOM 111 CB LEU A 38 27.696 -7.777 -7.134 1.00 24.98 C +ATOM 112 CG LEU A 38 26.681 -8.896 -6.865 1.00 20.36 C +ATOM 113 CD1 LEU A 38 27.327 -10.238 -6.748 1.00 17.92 C +ATOM 114 CD2 LEU A 38 25.941 -8.569 -5.596 1.00 20.85 C +ATOM 115 N LYS A 39 29.521 -5.934 -8.756 1.00 33.42 N +ATOM 116 CA LYS A 39 29.764 -4.979 -9.833 1.00 34.82 C +ATOM 117 C LYS A 39 30.869 -5.531 -10.710 1.00 35.75 C +ATOM 118 O LYS A 39 30.754 -5.535 -11.939 1.00 37.32 O +ATOM 119 CB LYS A 39 30.171 -3.603 -9.293 1.00 38.06 C +ATOM 120 CG LYS A 39 29.133 -2.935 -8.392 1.00 41.92 C +ATOM 121 CD LYS A 39 27.729 -3.178 -8.919 1.00 44.44 C +ATOM 122 CE LYS A 39 26.630 -2.584 -8.055 1.00 46.35 C +ATOM 123 NZ LYS A 39 26.391 -1.133 -8.324 1.00 46.80 N +ATOM 124 N SER A 40 31.889 -6.096 -10.069 1.00 36.07 N +ATOM 125 CA SER A 40 33.022 -6.663 -10.783 1.00 36.72 C +ATOM 126 C SER A 40 32.586 -7.569 -11.941 1.00 37.40 C +ATOM 127 O SER A 40 33.299 -7.675 -12.944 1.00 39.94 O +ATOM 128 CB SER A 40 33.939 -7.422 -9.816 1.00 37.52 C +ATOM 129 OG SER A 40 33.633 -8.802 -9.782 1.00 39.51 O +ATOM 130 N VAL A 41 31.416 -8.202 -11.824 1.00 34.16 N +ATOM 131 CA VAL A 41 30.957 -9.077 -12.896 1.00 30.18 C +ATOM 132 C VAL A 41 29.807 -8.535 -13.711 1.00 29.68 C +ATOM 133 O VAL A 41 29.119 -9.299 -14.378 1.00 32.08 O +ATOM 134 CB VAL A 41 30.651 -10.512 -12.411 1.00 26.76 C +ATOM 135 CG1 VAL A 41 31.934 -11.220 -12.068 1.00 26.46 C +ATOM 136 CG2 VAL A 41 29.764 -10.488 -11.204 1.00 25.44 C +ATOM 137 N GLY A 42 29.618 -7.220 -13.684 1.00 27.40 N +ATOM 138 CA GLY A 42 28.554 -6.605 -14.461 1.00 26.98 C +ATOM 139 C GLY A 42 27.242 -6.280 -13.771 1.00 29.87 C +ATOM 140 O GLY A 42 26.435 -5.515 -14.299 1.00 31.25 O +ATOM 141 N ALA A 43 27.006 -6.857 -12.599 1.00 31.86 N +ATOM 142 CA ALA A 43 25.767 -6.605 -11.863 1.00 33.11 C +ATOM 143 C ALA A 43 25.743 -5.173 -11.340 1.00 36.97 C +ATOM 144 O ALA A 43 26.183 -4.912 -10.224 1.00 37.99 O +ATOM 145 CB ALA A 43 25.629 -7.590 -10.709 1.00 31.88 C +ATOM 146 N GLN A 44 25.196 -4.258 -12.134 1.00 38.43 N +ATOM 147 CA GLN A 44 25.131 -2.841 -11.765 1.00 40.64 C +ATOM 148 C GLN A 44 23.950 -2.382 -10.881 1.00 38.73 C +ATOM 149 O GLN A 44 23.270 -1.417 -11.218 1.00 39.71 O +ATOM 150 CB GLN A 44 25.100 -1.997 -13.038 1.00 44.75 C +ATOM 151 CG GLN A 44 26.061 -2.371 -14.123 1.00 47.84 C +ATOM 152 CD GLN A 44 25.898 -1.446 -15.308 1.00 52.18 C +ATOM 153 OE1 GLN A 44 24.827 -1.385 -15.918 1.00 53.63 O +ATOM 154 NE2 GLN A 44 26.945 -0.680 -15.616 1.00 54.69 N +ATOM 155 N LYS A 45 23.712 -3.000 -9.735 1.00 36.33 N +ATOM 156 CA LYS A 45 22.587 -2.545 -8.939 1.00 35.35 C +ATOM 157 C LYS A 45 22.679 -2.802 -7.445 1.00 38.33 C +ATOM 158 O LYS A 45 23.568 -3.507 -6.978 1.00 40.86 O +ATOM 159 CB LYS A 45 21.277 -3.065 -9.526 1.00 34.15 C +ATOM 160 CG LYS A 45 21.215 -4.557 -9.704 1.00 33.47 C +ATOM 161 CD LYS A 45 19.840 -4.968 -10.170 1.00 33.07 C +ATOM 162 CE LYS A 45 19.581 -6.418 -9.848 1.00 33.29 C +ATOM 163 NZ LYS A 45 18.155 -6.740 -10.064 1.00 33.65 N +ATOM 164 N ASP A 46 21.731 -2.247 -6.703 1.00 39.51 N +ATOM 165 CA ASP A 46 21.717 -2.334 -5.253 1.00 43.18 C +ATOM 166 C ASP A 46 20.770 -3.333 -4.628 1.00 39.04 C +ATOM 167 O ASP A 46 20.897 -3.623 -3.454 1.00 39.67 O +ATOM 168 CB ASP A 46 21.387 -0.944 -4.706 1.00 53.36 C +ATOM 169 CG ASP A 46 21.760 -0.766 -3.242 1.00 63.20 C +ATOM 170 OD1 ASP A 46 22.354 -1.691 -2.634 1.00 67.17 O +ATOM 171 OD2 ASP A 46 21.475 0.336 -2.709 1.00 66.33 O +ATOM 172 N THR A 47 19.798 -3.829 -5.379 1.00 37.84 N +ATOM 173 CA THR A 47 18.826 -4.769 -4.826 1.00 37.77 C +ATOM 174 C THR A 47 18.751 -5.986 -5.729 1.00 33.96 C +ATOM 175 O THR A 47 18.709 -5.842 -6.947 1.00 34.85 O +ATOM 176 CB THR A 47 17.438 -4.093 -4.678 1.00 41.52 C +ATOM 177 OG1 THR A 47 17.606 -2.806 -4.059 1.00 44.57 O +ATOM 178 CG2 THR A 47 16.533 -4.918 -3.789 1.00 41.07 C +ATOM 179 N TYR A 48 18.757 -7.181 -5.139 1.00 29.39 N +ATOM 180 CA TYR A 48 18.751 -8.419 -5.918 1.00 25.54 C +ATOM 181 C TYR A 48 17.912 -9.518 -5.303 1.00 23.68 C +ATOM 182 O TYR A 48 17.644 -9.512 -4.108 1.00 24.17 O +ATOM 183 CB TYR A 48 20.180 -9.004 -5.990 1.00 23.33 C +ATOM 184 CG TYR A 48 21.250 -8.109 -6.562 1.00 20.34 C +ATOM 185 CD1 TYR A 48 21.808 -7.089 -5.796 1.00 19.97 C +ATOM 186 CD2 TYR A 48 21.694 -8.265 -7.875 1.00 19.16 C +ATOM 187 CE1 TYR A 48 22.770 -6.248 -6.323 1.00 18.70 C +ATOM 188 CE2 TYR A 48 22.656 -7.427 -8.400 1.00 19.06 C +ATOM 189 CZ TYR A 48 23.181 -6.424 -7.614 1.00 18.73 C +ATOM 190 OH TYR A 48 24.118 -5.576 -8.118 1.00 21.84 O +ATOM 191 N THR A 49 17.521 -10.484 -6.117 1.00 21.72 N +ATOM 192 CA THR A 49 16.819 -11.630 -5.577 1.00 22.96 C +ATOM 193 C THR A 49 17.970 -12.568 -5.189 1.00 23.47 C +ATOM 194 O THR A 49 19.105 -12.333 -5.602 1.00 21.98 O +ATOM 195 CB THR A 49 15.898 -12.290 -6.628 1.00 24.40 C +ATOM 196 OG1 THR A 49 16.624 -12.552 -7.835 1.00 25.85 O +ATOM 197 CG2 THR A 49 14.738 -11.367 -6.951 1.00 24.83 C +ATOM 198 N MET A 50 17.724 -13.577 -4.359 1.00 26.64 N +ATOM 199 CA MET A 50 18.794 -14.502 -3.998 1.00 28.05 C +ATOM 200 C MET A 50 19.413 -15.149 -5.246 1.00 28.41 C +ATOM 201 O MET A 50 20.624 -15.353 -5.303 1.00 31.46 O +ATOM 202 CB MET A 50 18.290 -15.585 -3.043 1.00 29.52 C +ATOM 203 CG MET A 50 18.786 -15.430 -1.616 1.00 31.67 C +ATOM 204 SD MET A 50 20.561 -15.673 -1.478 1.00 33.21 S +ATOM 205 CE MET A 50 20.698 -17.337 -2.115 1.00 33.22 C +ATOM 206 N LYS A 51 18.595 -15.443 -6.254 1.00 25.59 N +ATOM 207 CA LYS A 51 19.082 -16.054 -7.492 1.00 24.33 C +ATOM 208 C LYS A 51 20.123 -15.240 -8.275 1.00 20.13 C +ATOM 209 O LYS A 51 21.077 -15.814 -8.783 1.00 20.41 O +ATOM 210 CB LYS A 51 17.911 -16.421 -8.405 1.00 26.76 C +ATOM 211 CG LYS A 51 17.019 -17.491 -7.844 1.00 29.23 C +ATOM 212 CD LYS A 51 15.826 -17.759 -8.757 1.00 32.33 C +ATOM 213 CE LYS A 51 14.860 -18.758 -8.123 1.00 35.65 C +ATOM 214 NZ LYS A 51 13.726 -19.097 -9.045 1.00 39.61 N +ATOM 215 N GLU A 52 19.929 -13.927 -8.396 1.00 18.05 N +ATOM 216 CA GLU A 52 20.876 -13.065 -9.111 1.00 17.63 C +ATOM 217 C GLU A 52 22.214 -13.071 -8.387 1.00 18.96 C +ATOM 218 O GLU A 52 23.271 -13.141 -9.011 1.00 21.98 O +ATOM 219 CB GLU A 52 20.379 -11.623 -9.192 1.00 15.17 C +ATOM 220 CG GLU A 52 19.197 -11.420 -10.100 1.00 14.49 C +ATOM 221 CD GLU A 52 18.761 -9.957 -10.221 1.00 14.76 C +ATOM 222 OE1 GLU A 52 18.401 -9.331 -9.195 1.00 14.10 O +ATOM 223 OE2 GLU A 52 18.773 -9.430 -11.359 1.00 16.08 O +ATOM 224 N VAL A 53 22.162 -12.984 -7.063 1.00 16.80 N +ATOM 225 CA VAL A 53 23.367 -12.993 -6.256 1.00 15.61 C +ATOM 226 C VAL A 53 24.177 -14.251 -6.596 1.00 19.06 C +ATOM 227 O VAL A 53 25.280 -14.165 -7.121 1.00 19.53 O +ATOM 228 CB VAL A 53 23.022 -12.909 -4.732 1.00 10.83 C +ATOM 229 CG1 VAL A 53 24.221 -13.377 -3.855 1.00 9.30 C +ATOM 230 CG2 VAL A 53 22.617 -11.464 -4.356 1.00 6.78 C +ATOM 231 N LEU A 54 23.569 -15.414 -6.415 1.00 20.11 N +ATOM 232 CA LEU A 54 24.244 -16.672 -6.687 1.00 17.78 C +ATOM 233 C LEU A 54 24.751 -16.780 -8.105 1.00 18.36 C +ATOM 234 O LEU A 54 25.816 -17.334 -8.323 1.00 23.49 O +ATOM 235 CB LEU A 54 23.318 -17.850 -6.420 1.00 16.46 C +ATOM 236 CG LEU A 54 22.858 -18.137 -4.996 1.00 14.65 C +ATOM 237 CD1 LEU A 54 21.786 -19.217 -5.048 1.00 15.10 C +ATOM 238 CD2 LEU A 54 24.023 -18.574 -4.154 1.00 11.49 C +ATOM 239 N PHE A 55 23.983 -16.277 -9.065 1.00 15.68 N +ATOM 240 CA PHE A 55 24.341 -16.344 -10.489 1.00 12.20 C +ATOM 241 C PHE A 55 25.636 -15.630 -10.765 1.00 15.52 C +ATOM 242 O PHE A 55 26.546 -16.223 -11.342 1.00 17.40 O +ATOM 243 CB PHE A 55 23.223 -15.735 -11.350 1.00 6.10 C +ATOM 244 CG PHE A 55 23.615 -15.454 -12.776 1.00 1.58 C +ATOM 245 CD1 PHE A 55 23.765 -16.477 -13.688 1.00 1.07 C +ATOM 246 CD2 PHE A 55 23.835 -14.171 -13.197 1.00 1.00 C +ATOM 247 CE1 PHE A 55 24.135 -16.221 -14.999 1.00 1.00 C +ATOM 248 CE2 PHE A 55 24.200 -13.901 -14.497 1.00 1.00 C +ATOM 249 CZ PHE A 55 24.351 -14.915 -15.392 1.00 1.77 C +ATOM 250 N TYR A 56 25.697 -14.353 -10.376 1.00 18.18 N +ATOM 251 CA TYR A 56 26.886 -13.515 -10.570 1.00 21.08 C +ATOM 252 C TYR A 56 28.058 -14.009 -9.713 1.00 25.58 C +ATOM 253 O TYR A 56 29.203 -14.065 -10.171 1.00 27.28 O +ATOM 254 CB TYR A 56 26.588 -12.060 -10.211 1.00 19.30 C +ATOM 255 CG TYR A 56 25.665 -11.344 -11.164 1.00 18.72 C +ATOM 256 CD1 TYR A 56 26.036 -11.122 -12.493 1.00 19.77 C +ATOM 257 CD2 TYR A 56 24.418 -10.890 -10.739 1.00 17.69 C +ATOM 258 CE1 TYR A 56 25.187 -10.464 -13.377 1.00 19.76 C +ATOM 259 CE2 TYR A 56 23.566 -10.237 -11.602 1.00 18.54 C +ATOM 260 CZ TYR A 56 23.948 -10.022 -12.923 1.00 21.12 C +ATOM 261 OH TYR A 56 23.089 -9.339 -13.769 1.00 24.19 O +ATOM 262 N LEU A 57 27.760 -14.367 -8.468 1.00 25.21 N +ATOM 263 CA LEU A 57 28.758 -14.877 -7.542 1.00 21.43 C +ATOM 264 C LEU A 57 29.396 -16.144 -8.132 1.00 16.56 C +ATOM 265 O LEU A 57 30.583 -16.399 -7.952 1.00 16.93 O +ATOM 266 CB LEU A 57 28.097 -15.141 -6.188 1.00 21.93 C +ATOM 267 CG LEU A 57 28.991 -15.465 -4.993 1.00 23.25 C +ATOM 268 CD1 LEU A 57 30.098 -14.433 -4.883 1.00 24.87 C +ATOM 269 CD2 LEU A 57 28.163 -15.504 -3.729 1.00 22.07 C +ATOM 270 N GLY A 58 28.606 -16.903 -8.877 1.00 13.03 N +ATOM 271 CA GLY A 58 29.093 -18.105 -9.525 1.00 12.30 C +ATOM 272 C GLY A 58 29.881 -17.738 -10.769 1.00 15.61 C +ATOM 273 O GLY A 58 30.833 -18.418 -11.126 1.00 19.99 O +ATOM 274 N GLN A 59 29.489 -16.659 -11.427 1.00 14.86 N +ATOM 275 CA GLN A 59 30.166 -16.170 -12.622 1.00 16.02 C +ATOM 276 C GLN A 59 31.564 -15.657 -12.285 1.00 17.15 C +ATOM 277 O GLN A 59 32.486 -15.736 -13.091 1.00 20.04 O +ATOM 278 CB GLN A 59 29.368 -15.021 -13.216 1.00 18.21 C +ATOM 279 CG GLN A 59 28.089 -15.453 -13.826 1.00 21.13 C +ATOM 280 CD GLN A 59 28.336 -16.409 -14.942 1.00 23.42 C +ATOM 281 OE1 GLN A 59 28.794 -16.018 -16.008 1.00 26.16 O +ATOM 282 NE2 GLN A 59 28.071 -17.677 -14.700 1.00 24.91 N +ATOM 283 N TYR A 60 31.688 -15.061 -11.114 1.00 15.53 N +ATOM 284 CA TYR A 60 32.947 -14.515 -10.639 1.00 14.57 C +ATOM 285 C TYR A 60 33.933 -15.681 -10.434 1.00 16.46 C +ATOM 286 O TYR A 60 35.049 -15.679 -10.946 1.00 18.96 O +ATOM 287 CB TYR A 60 32.660 -13.784 -9.333 1.00 14.30 C +ATOM 288 CG TYR A 60 33.858 -13.295 -8.591 1.00 15.69 C +ATOM 289 CD1 TYR A 60 34.378 -12.026 -8.831 1.00 15.89 C +ATOM 290 CD2 TYR A 60 34.444 -14.077 -7.591 1.00 16.18 C +ATOM 291 CE1 TYR A 60 35.444 -11.550 -8.088 1.00 15.25 C +ATOM 292 CE2 TYR A 60 35.505 -13.607 -6.848 1.00 15.93 C +ATOM 293 CZ TYR A 60 35.996 -12.344 -7.101 1.00 16.11 C +ATOM 294 OH TYR A 60 37.017 -11.854 -6.336 1.00 18.25 O +ATOM 295 N ILE A 61 33.478 -16.702 -9.727 1.00 15.26 N +ATOM 296 CA ILE A 61 34.274 -17.877 -9.450 1.00 13.48 C +ATOM 297 C ILE A 61 34.684 -18.570 -10.724 1.00 16.31 C +ATOM 298 O ILE A 61 35.862 -18.831 -10.943 1.00 18.13 O +ATOM 299 CB ILE A 61 33.497 -18.858 -8.544 1.00 12.76 C +ATOM 300 CG1 ILE A 61 33.109 -18.151 -7.243 1.00 11.76 C +ATOM 301 CG2 ILE A 61 34.337 -20.069 -8.235 1.00 13.49 C +ATOM 302 CD1 ILE A 61 32.359 -19.041 -6.269 1.00 13.72 C +ATOM 303 N MET A 62 33.721 -18.882 -11.572 1.00 21.25 N +ATOM 304 CA MET A 62 34.048 -19.563 -12.815 1.00 26.19 C +ATOM 305 C MET A 62 35.038 -18.750 -13.618 1.00 26.57 C +ATOM 306 O MET A 62 36.084 -19.245 -14.022 1.00 27.73 O +ATOM 307 CB MET A 62 32.801 -19.801 -13.656 1.00 32.22 C +ATOM 308 CG MET A 62 32.041 -21.059 -13.299 1.00 40.65 C +ATOM 309 SD MET A 62 30.444 -21.159 -14.164 1.00 48.52 S +ATOM 310 CE MET A 62 29.206 -21.058 -12.752 1.00 48.60 C +ATOM 311 N THR A 63 34.719 -17.482 -13.804 1.00 26.49 N +ATOM 312 CA THR A 63 35.548 -16.577 -14.580 1.00 27.67 C +ATOM 313 C THR A 63 37.002 -16.428 -14.136 1.00 24.94 C +ATOM 314 O THR A 63 37.910 -16.429 -14.972 1.00 26.27 O +ATOM 315 CB THR A 63 34.862 -15.234 -14.662 1.00 32.91 C +ATOM 316 OG1 THR A 63 33.709 -15.368 -15.505 1.00 36.10 O +ATOM 317 CG2 THR A 63 35.789 -14.178 -15.199 1.00 36.18 C +ATOM 318 N LYS A 64 37.218 -16.302 -12.829 1.00 20.57 N +ATOM 319 CA LYS A 64 38.555 -16.168 -12.265 1.00 16.27 C +ATOM 320 C LYS A 64 39.105 -17.538 -11.869 1.00 17.22 C +ATOM 321 O LYS A 64 39.920 -17.652 -10.968 1.00 20.18 O +ATOM 322 CB LYS A 64 38.495 -15.265 -11.039 1.00 16.24 C +ATOM 323 CG LYS A 64 38.056 -13.868 -11.370 1.00 19.29 C +ATOM 324 CD LYS A 64 38.081 -12.988 -10.149 1.00 22.86 C +ATOM 325 CE LYS A 64 39.487 -12.826 -9.614 1.00 26.64 C +ATOM 326 NZ LYS A 64 39.479 -11.939 -8.409 1.00 29.52 N +ATOM 327 N ARG A 65 38.631 -18.575 -12.545 1.00 17.49 N +ATOM 328 CA ARG A 65 38.997 -19.964 -12.295 1.00 14.49 C +ATOM 329 C ARG A 65 39.410 -20.287 -10.874 1.00 14.03 C +ATOM 330 O ARG A 65 40.351 -21.044 -10.665 1.00 17.94 O +ATOM 331 CB ARG A 65 40.070 -20.431 -13.261 1.00 14.75 C +ATOM 332 CG ARG A 65 39.838 -20.028 -14.703 1.00 17.60 C +ATOM 333 CD ARG A 65 40.309 -21.126 -15.650 1.00 22.61 C +ATOM 334 NE ARG A 65 41.729 -21.456 -15.510 1.00 28.14 N +ATOM 335 CZ ARG A 65 42.190 -22.697 -15.392 1.00 34.90 C +ATOM 336 NH1 ARG A 65 41.349 -23.723 -15.395 1.00 38.13 N +ATOM 337 NH2 ARG A 65 43.493 -22.920 -15.289 1.00 38.07 N +ATOM 338 N LEU A 66 38.652 -19.796 -9.898 1.00 10.97 N +ATOM 339 CA LEU A 66 38.983 -20.045 -8.498 1.00 9.06 C +ATOM 340 C LEU A 66 38.692 -21.446 -7.968 1.00 9.71 C +ATOM 341 O LEU A 66 38.925 -21.724 -6.780 1.00 13.68 O +ATOM 342 CB LEU A 66 38.297 -19.034 -7.589 1.00 7.18 C +ATOM 343 CG LEU A 66 38.524 -17.554 -7.819 1.00 6.89 C +ATOM 344 CD1 LEU A 66 37.780 -16.767 -6.748 1.00 5.18 C +ATOM 345 CD2 LEU A 66 40.002 -17.272 -7.753 1.00 8.57 C +ATOM 346 N TYR A 67 38.179 -22.331 -8.806 1.00 8.57 N +ATOM 347 CA TYR A 67 37.861 -23.681 -8.338 1.00 12.51 C +ATOM 348 C TYR A 67 39.016 -24.624 -8.635 1.00 16.43 C +ATOM 349 O TYR A 67 39.865 -24.328 -9.477 1.00 19.05 O +ATOM 350 CB TYR A 67 36.567 -24.197 -8.995 1.00 11.42 C +ATOM 351 CG TYR A 67 36.529 -23.987 -10.501 1.00 15.91 C +ATOM 352 CD1 TYR A 67 37.095 -24.922 -11.377 1.00 18.44 C +ATOM 353 CD2 TYR A 67 35.967 -22.837 -11.052 1.00 17.76 C +ATOM 354 CE1 TYR A 67 37.102 -24.717 -12.744 1.00 17.83 C +ATOM 355 CE2 TYR A 67 35.975 -22.623 -12.422 1.00 19.57 C +ATOM 356 CZ TYR A 67 36.544 -23.567 -13.259 1.00 20.81 C +ATOM 357 OH TYR A 67 36.557 -23.357 -14.625 1.00 26.44 O +ATOM 358 N ASP A 68 39.070 -25.746 -7.926 1.00 16.73 N +ATOM 359 CA ASP A 68 40.119 -26.715 -8.163 1.00 19.56 C +ATOM 360 C ASP A 68 39.798 -27.404 -9.468 1.00 24.40 C +ATOM 361 O ASP A 68 38.656 -27.763 -9.727 1.00 28.26 O +ATOM 362 CB ASP A 68 40.187 -27.747 -7.054 1.00 19.74 C +ATOM 363 CG ASP A 68 41.407 -28.627 -7.173 1.00 19.84 C +ATOM 364 OD1 ASP A 68 42.476 -28.209 -6.693 1.00 22.77 O +ATOM 365 OD2 ASP A 68 41.311 -29.715 -7.763 1.00 19.07 O +ATOM 366 N GLU A 69 40.820 -27.662 -10.259 1.00 26.47 N +ATOM 367 CA GLU A 69 40.616 -28.281 -11.551 1.00 26.24 C +ATOM 368 C GLU A 69 40.161 -29.725 -11.510 1.00 27.23 C +ATOM 369 O GLU A 69 39.405 -30.182 -12.373 1.00 26.72 O +ATOM 370 CB GLU A 69 41.887 -28.180 -12.355 1.00 27.13 C +ATOM 371 CG GLU A 69 41.645 -28.315 -13.830 1.00 29.09 C +ATOM 372 CD GLU A 69 41.219 -27.024 -14.466 1.00 30.90 C +ATOM 373 OE1 GLU A 69 41.178 -25.975 -13.769 1.00 30.71 O +ATOM 374 OE2 GLU A 69 40.941 -27.076 -15.679 1.00 33.03 O +ATOM 375 N LYS A 70 40.657 -30.461 -10.529 1.00 30.01 N +ATOM 376 CA LYS A 70 40.297 -31.861 -10.402 1.00 34.47 C +ATOM 377 C LYS A 70 39.040 -32.074 -9.557 1.00 34.65 C +ATOM 378 O LYS A 70 38.120 -32.769 -9.971 1.00 38.08 O +ATOM 379 CB LYS A 70 41.490 -32.678 -9.875 1.00 40.08 C +ATOM 380 CG LYS A 70 42.609 -32.959 -10.934 1.00 45.97 C +ATOM 381 CD LYS A 70 43.362 -31.687 -11.431 1.00 50.20 C +ATOM 382 CE LYS A 70 44.171 -30.995 -10.309 1.00 53.12 C +ATOM 383 NZ LYS A 70 44.770 -29.677 -10.699 1.00 54.32 N +ATOM 384 N GLN A 71 39.005 -31.485 -8.371 1.00 30.70 N +ATOM 385 CA GLN A 71 37.857 -31.604 -7.484 1.00 27.30 C +ATOM 386 C GLN A 71 37.161 -30.259 -7.563 1.00 21.02 C +ATOM 387 O GLN A 71 37.289 -29.436 -6.666 1.00 18.60 O +ATOM 388 CB GLN A 71 38.352 -31.883 -6.068 1.00 32.17 C +ATOM 389 CG GLN A 71 38.983 -33.246 -5.920 1.00 37.01 C +ATOM 390 CD GLN A 71 37.950 -34.357 -5.964 1.00 43.82 C +ATOM 391 OE1 GLN A 71 37.068 -34.430 -5.110 1.00 47.96 O +ATOM 392 NE2 GLN A 71 38.040 -35.215 -6.968 1.00 44.79 N +ATOM 393 N GLN A 72 36.399 -30.056 -8.633 1.00 20.30 N +ATOM 394 CA GLN A 72 35.719 -28.784 -8.896 1.00 16.73 C +ATOM 395 C GLN A 72 34.859 -28.192 -7.812 1.00 15.22 C +ATOM 396 O GLN A 72 34.446 -27.045 -7.919 1.00 17.63 O +ATOM 397 CB GLN A 72 34.930 -28.851 -10.190 1.00 16.67 C +ATOM 398 CG GLN A 72 35.723 -29.443 -11.328 1.00 19.27 C +ATOM 399 CD GLN A 72 35.798 -28.544 -12.540 1.00 22.33 C +ATOM 400 OE1 GLN A 72 34.920 -27.711 -12.792 1.00 22.68 O +ATOM 401 NE2 GLN A 72 36.844 -28.726 -13.323 1.00 25.00 N +ATOM 402 N HIS A 73 34.592 -28.958 -6.763 1.00 14.02 N +ATOM 403 CA HIS A 73 33.791 -28.456 -5.652 1.00 13.96 C +ATOM 404 C HIS A 73 34.620 -27.629 -4.661 1.00 15.64 C +ATOM 405 O HIS A 73 34.056 -27.010 -3.742 1.00 17.41 O +ATOM 406 CB HIS A 73 33.074 -29.604 -4.931 1.00 14.80 C +ATOM 407 CG HIS A 73 33.991 -30.572 -4.261 1.00 16.64 C +ATOM 408 ND1 HIS A 73 34.318 -30.488 -2.924 1.00 18.85 N +ATOM 409 CD2 HIS A 73 34.639 -31.664 -4.736 1.00 15.41 C +ATOM 410 CE1 HIS A 73 35.124 -31.485 -2.604 1.00 16.68 C +ATOM 411 NE2 HIS A 73 35.335 -32.212 -3.686 1.00 15.48 N +ATOM 412 N ILE A 74 35.950 -27.646 -4.831 1.00 12.87 N +ATOM 413 CA ILE A 74 36.865 -26.894 -3.970 1.00 9.08 C +ATOM 414 C ILE A 74 37.119 -25.524 -4.577 1.00 5.48 C +ATOM 415 O ILE A 74 37.492 -25.418 -5.727 1.00 8.13 O +ATOM 416 CB ILE A 74 38.243 -27.630 -3.779 1.00 12.08 C +ATOM 417 CG1 ILE A 74 38.039 -29.024 -3.161 1.00 11.72 C +ATOM 418 CG2 ILE A 74 39.174 -26.832 -2.801 1.00 10.17 C +ATOM 419 CD1 ILE A 74 37.636 -28.963 -1.719 1.00 10.84 C +ATOM 420 N VAL A 75 36.889 -24.475 -3.812 1.00 2.49 N +ATOM 421 CA VAL A 75 37.130 -23.129 -4.293 1.00 4.31 C +ATOM 422 C VAL A 75 38.140 -22.513 -3.333 1.00 9.01 C +ATOM 423 O VAL A 75 38.054 -22.707 -2.115 1.00 10.49 O +ATOM 424 CB VAL A 75 35.840 -22.317 -4.362 1.00 3.43 C +ATOM 425 CG1 VAL A 75 36.107 -20.894 -4.774 1.00 1.00 C +ATOM 426 CG2 VAL A 75 34.913 -22.964 -5.355 1.00 4.30 C +ATOM 427 N TYR A 76 39.133 -21.847 -3.916 1.00 10.57 N +ATOM 428 CA TYR A 76 40.251 -21.237 -3.201 1.00 9.82 C +ATOM 429 C TYR A 76 40.091 -19.749 -3.237 1.00 13.54 C +ATOM 430 O TYR A 76 40.024 -19.179 -4.315 1.00 17.59 O +ATOM 431 CB TYR A 76 41.537 -21.582 -3.943 1.00 6.09 C +ATOM 432 CG TYR A 76 41.844 -23.073 -4.072 1.00 2.63 C +ATOM 433 CD1 TYR A 76 42.331 -23.796 -2.995 1.00 1.00 C +ATOM 434 CD2 TYR A 76 41.733 -23.719 -5.294 1.00 1.49 C +ATOM 435 CE1 TYR A 76 42.714 -25.101 -3.136 1.00 1.00 C +ATOM 436 CE2 TYR A 76 42.105 -25.032 -5.437 1.00 1.00 C +ATOM 437 CZ TYR A 76 42.600 -25.715 -4.354 1.00 1.93 C +ATOM 438 OH TYR A 76 43.024 -27.023 -4.493 1.00 5.30 O +ATOM 439 N CYS A 77 40.135 -19.090 -2.089 1.00 15.15 N +ATOM 440 CA CYS A 77 39.927 -17.653 -2.094 1.00 17.24 C +ATOM 441 C CYS A 77 40.798 -16.855 -1.166 1.00 19.10 C +ATOM 442 O CYS A 77 40.527 -15.676 -0.938 1.00 15.49 O +ATOM 443 CB CYS A 77 38.449 -17.351 -1.822 1.00 18.53 C +ATOM 444 SG CYS A 77 37.662 -18.378 -0.536 1.00 18.57 S +ATOM 445 N SER A 78 41.895 -17.469 -0.730 1.00 26.56 N +ATOM 446 CA SER A 78 42.874 -16.862 0.185 1.00 33.89 C +ATOM 447 C SER A 78 43.454 -15.587 -0.381 1.00 38.51 C +ATOM 448 O SER A 78 43.584 -14.563 0.294 1.00 42.17 O +ATOM 449 CB SER A 78 44.009 -17.847 0.444 1.00 34.90 C +ATOM 450 OG SER A 78 44.316 -18.547 -0.754 1.00 37.68 O +ATOM 451 N ASN A 79 43.779 -15.664 -1.653 1.00 39.64 N +ATOM 452 CA ASN A 79 44.366 -14.559 -2.394 1.00 43.62 C +ATOM 453 C ASN A 79 43.268 -13.694 -2.983 1.00 40.29 C +ATOM 454 O ASN A 79 43.551 -12.851 -3.836 1.00 39.90 O +ATOM 455 CB ASN A 79 45.102 -15.171 -3.579 1.00 49.71 C +ATOM 456 CG ASN A 79 44.178 -16.081 -4.420 1.00 53.95 C +ATOM 457 OD1 ASN A 79 43.807 -17.195 -3.989 1.00 55.43 O +ATOM 458 ND2 ASN A 79 43.749 -15.579 -5.581 1.00 54.43 N +ATOM 459 N ASP A 80 42.035 -13.869 -2.512 1.00 36.87 N +ATOM 460 CA ASP A 80 40.908 -13.190 -3.130 1.00 29.52 C +ATOM 461 C ASP A 80 39.959 -12.435 -2.231 1.00 27.60 C +ATOM 462 O ASP A 80 39.762 -12.820 -1.095 1.00 26.69 O +ATOM 463 CB ASP A 80 40.117 -14.258 -3.882 1.00 25.03 C +ATOM 464 CG ASP A 80 39.365 -13.714 -5.050 1.00 22.21 C +ATOM 465 OD1 ASP A 80 40.031 -13.307 -6.019 1.00 22.42 O +ATOM 466 OD2 ASP A 80 38.113 -13.724 -5.006 1.00 20.56 O +ATOM 467 N LEU A 81 39.310 -11.414 -2.804 1.00 28.92 N +ATOM 468 CA LEU A 81 38.294 -10.583 -2.133 1.00 30.59 C +ATOM 469 C LEU A 81 37.167 -11.478 -1.609 1.00 27.06 C +ATOM 470 O LEU A 81 36.514 -11.165 -0.620 1.00 27.06 O +ATOM 471 CB LEU A 81 37.703 -9.566 -3.128 1.00 37.34 C +ATOM 472 CG LEU A 81 36.292 -8.950 -2.964 1.00 42.99 C +ATOM 473 CD1 LEU A 81 36.205 -7.965 -1.782 1.00 44.45 C +ATOM 474 CD2 LEU A 81 35.909 -8.232 -4.262 1.00 43.58 C +ATOM 475 N LEU A 82 36.928 -12.576 -2.314 1.00 23.26 N +ATOM 476 CA LEU A 82 35.923 -13.537 -1.940 1.00 18.87 C +ATOM 477 C LEU A 82 36.295 -14.064 -0.568 1.00 20.31 C +ATOM 478 O LEU A 82 35.435 -14.279 0.266 1.00 22.63 O +ATOM 479 CB LEU A 82 35.927 -14.665 -2.956 1.00 18.68 C +ATOM 480 CG LEU A 82 34.818 -15.699 -2.920 1.00 16.28 C +ATOM 481 CD1 LEU A 82 33.477 -14.974 -2.843 1.00 17.88 C +ATOM 482 CD2 LEU A 82 34.923 -16.545 -4.168 1.00 11.40 C +ATOM 483 N GLY A 83 37.587 -14.250 -0.331 1.00 21.34 N +ATOM 484 CA GLY A 83 38.059 -14.747 0.954 1.00 19.72 C +ATOM 485 C GLY A 83 37.901 -13.695 2.031 1.00 22.61 C +ATOM 486 O GLY A 83 37.665 -14.045 3.183 1.00 25.72 O +ATOM 487 N ASP A 84 38.074 -12.416 1.681 1.00 24.08 N +ATOM 488 CA ASP A 84 37.917 -11.315 2.639 1.00 27.82 C +ATOM 489 C ASP A 84 36.469 -11.369 3.053 1.00 32.42 C +ATOM 490 O ASP A 84 36.142 -11.324 4.234 1.00 36.61 O +ATOM 491 CB ASP A 84 38.150 -9.953 1.978 1.00 31.47 C +ATOM 492 CG ASP A 84 39.600 -9.712 1.592 1.00 35.83 C +ATOM 493 OD1 ASP A 84 40.356 -10.688 1.379 1.00 38.48 O +ATOM 494 OD2 ASP A 84 39.984 -8.528 1.482 1.00 36.32 O +ATOM 495 N LEU A 85 35.621 -11.493 2.035 1.00 33.28 N +ATOM 496 CA LEU A 85 34.172 -11.582 2.136 1.00 31.28 C +ATOM 497 C LEU A 85 33.722 -12.742 3.012 1.00 28.59 C +ATOM 498 O LEU A 85 33.153 -12.529 4.074 1.00 32.02 O +ATOM 499 CB LEU A 85 33.599 -11.783 0.736 1.00 32.23 C +ATOM 500 CG LEU A 85 32.135 -11.469 0.508 1.00 33.98 C +ATOM 501 CD1 LEU A 85 32.041 -9.998 0.291 1.00 34.37 C +ATOM 502 CD2 LEU A 85 31.618 -12.202 -0.714 1.00 34.90 C +ATOM 503 N PHE A 86 33.970 -13.968 2.563 1.00 24.06 N +ATOM 504 CA PHE A 86 33.565 -15.157 3.314 1.00 22.65 C +ATOM 505 C PHE A 86 34.372 -15.379 4.573 1.00 20.98 C +ATOM 506 O PHE A 86 33.963 -16.148 5.432 1.00 21.83 O +ATOM 507 CB PHE A 86 33.643 -16.418 2.440 1.00 23.60 C +ATOM 508 CG PHE A 86 32.600 -16.475 1.346 1.00 25.25 C +ATOM 509 CD1 PHE A 86 31.609 -15.496 1.245 1.00 26.07 C +ATOM 510 CD2 PHE A 86 32.587 -17.519 0.439 1.00 26.99 C +ATOM 511 CE1 PHE A 86 30.628 -15.561 0.261 1.00 26.66 C +ATOM 512 CE2 PHE A 86 31.605 -17.596 -0.552 1.00 27.82 C +ATOM 513 CZ PHE A 86 30.627 -16.614 -0.638 1.00 28.09 C +ATOM 514 N GLY A 87 35.528 -14.727 4.660 1.00 20.07 N +ATOM 515 CA GLY A 87 36.406 -14.864 5.809 1.00 19.32 C +ATOM 516 C GLY A 87 37.016 -16.250 5.963 1.00 20.03 C +ATOM 517 O GLY A 87 37.169 -16.739 7.091 1.00 20.31 O +ATOM 518 N VAL A 88 37.337 -16.909 4.848 1.00 19.28 N +ATOM 519 CA VAL A 88 37.939 -18.256 4.889 1.00 18.20 C +ATOM 520 C VAL A 88 38.922 -18.424 3.734 1.00 19.23 C +ATOM 521 O VAL A 88 38.795 -17.764 2.700 1.00 22.03 O +ATOM 522 CB VAL A 88 36.879 -19.420 4.797 1.00 16.54 C +ATOM 523 CG1 VAL A 88 36.041 -19.490 6.046 1.00 13.24 C +ATOM 524 CG2 VAL A 88 36.008 -19.285 3.534 1.00 16.74 C +ATOM 525 N PRO A 89 39.936 -19.292 3.910 1.00 17.26 N +ATOM 526 CA PRO A 89 40.940 -19.547 2.873 1.00 15.01 C +ATOM 527 C PRO A 89 40.341 -20.305 1.690 1.00 16.26 C +ATOM 528 O PRO A 89 40.595 -19.957 0.536 1.00 20.02 O +ATOM 529 CB PRO A 89 41.987 -20.374 3.615 1.00 14.47 C +ATOM 530 CG PRO A 89 41.193 -21.108 4.634 1.00 14.57 C +ATOM 531 CD PRO A 89 40.272 -20.026 5.142 1.00 16.66 C +ATOM 532 N SER A 90 39.537 -21.327 1.968 1.00 14.88 N +ATOM 533 CA SER A 90 38.893 -22.107 0.918 1.00 15.30 C +ATOM 534 C SER A 90 37.525 -22.660 1.386 1.00 17.77 C +ATOM 535 O SER A 90 37.172 -22.532 2.562 1.00 17.21 O +ATOM 536 CB SER A 90 39.825 -23.238 0.476 1.00 13.07 C +ATOM 537 OG SER A 90 40.003 -24.201 1.499 1.00 10.50 O +ATOM 538 N PHE A 91 36.747 -23.242 0.471 1.00 17.71 N +ATOM 539 CA PHE A 91 35.443 -23.810 0.832 1.00 13.01 C +ATOM 540 C PHE A 91 34.952 -24.861 -0.174 1.00 13.62 C +ATOM 541 O PHE A 91 35.483 -24.952 -1.278 1.00 14.61 O +ATOM 542 CB PHE A 91 34.398 -22.696 1.069 1.00 9.68 C +ATOM 543 CG PHE A 91 34.044 -21.860 -0.158 1.00 5.81 C +ATOM 544 CD1 PHE A 91 33.094 -22.293 -1.067 1.00 6.55 C +ATOM 545 CD2 PHE A 91 34.579 -20.596 -0.338 1.00 5.77 C +ATOM 546 CE1 PHE A 91 32.671 -21.477 -2.129 1.00 5.62 C +ATOM 547 CE2 PHE A 91 34.164 -19.782 -1.392 1.00 5.00 C +ATOM 548 CZ PHE A 91 33.209 -20.230 -2.280 1.00 6.43 C +ATOM 549 N SER A 92 34.014 -25.714 0.241 1.00 13.98 N +ATOM 550 CA SER A 92 33.450 -26.746 -0.627 1.00 12.99 C +ATOM 551 C SER A 92 32.038 -26.359 -0.998 1.00 14.71 C +ATOM 552 O SER A 92 31.181 -26.253 -0.122 1.00 15.05 O +ATOM 553 CB SER A 92 33.399 -28.074 0.099 1.00 15.88 C +ATOM 554 OG SER A 92 32.677 -29.051 -0.652 1.00 19.78 O +ATOM 555 N VAL A 93 31.773 -26.173 -2.288 1.00 17.37 N +ATOM 556 CA VAL A 93 30.426 -25.784 -2.700 1.00 18.30 C +ATOM 557 C VAL A 93 29.429 -26.853 -2.295 1.00 20.89 C +ATOM 558 O VAL A 93 28.225 -26.606 -2.273 1.00 25.39 O +ATOM 559 CB VAL A 93 30.275 -25.513 -4.223 1.00 15.03 C +ATOM 560 CG1 VAL A 93 31.333 -24.544 -4.718 1.00 16.89 C +ATOM 561 CG2 VAL A 93 30.274 -26.792 -4.990 1.00 12.62 C +ATOM 562 N LYS A 94 29.934 -28.030 -1.951 1.00 16.49 N +ATOM 563 CA LYS A 94 29.078 -29.107 -1.549 1.00 15.72 C +ATOM 564 C LYS A 94 28.532 -28.949 -0.138 1.00 19.47 C +ATOM 565 O LYS A 94 27.718 -29.751 0.296 1.00 21.41 O +ATOM 566 CB LYS A 94 29.817 -30.419 -1.646 1.00 17.53 C +ATOM 567 CG LYS A 94 30.080 -30.892 -3.033 1.00 19.31 C +ATOM 568 CD LYS A 94 30.722 -32.253 -2.946 1.00 23.17 C +ATOM 569 CE LYS A 94 30.952 -32.844 -4.316 1.00 28.08 C +ATOM 570 NZ LYS A 94 31.566 -34.209 -4.222 1.00 30.82 N +ATOM 571 N GLU A 95 28.985 -27.954 0.609 1.00 22.29 N +ATOM 572 CA GLU A 95 28.477 -27.767 1.956 1.00 23.82 C +ATOM 573 C GLU A 95 27.485 -26.624 1.876 1.00 22.81 C +ATOM 574 O GLU A 95 27.821 -25.478 2.202 1.00 22.39 O +ATOM 575 CB GLU A 95 29.601 -27.367 2.890 1.00 31.07 C +ATOM 576 CG GLU A 95 30.820 -28.239 2.853 1.00 37.59 C +ATOM 577 CD GLU A 95 31.989 -27.593 3.595 1.00 43.46 C +ATOM 578 OE1 GLU A 95 32.296 -26.392 3.349 1.00 43.63 O +ATOM 579 OE2 GLU A 95 32.599 -28.297 4.429 1.00 46.58 O +ATOM 580 N HIS A 96 26.252 -26.947 1.488 1.00 21.86 N +ATOM 581 CA HIS A 96 25.184 -25.952 1.309 1.00 18.69 C +ATOM 582 C HIS A 96 24.900 -25.057 2.510 1.00 18.22 C +ATOM 583 O HIS A 96 24.782 -23.842 2.369 1.00 18.94 O +ATOM 584 CB HIS A 96 23.890 -26.617 0.839 1.00 17.58 C +ATOM 585 CG HIS A 96 24.017 -27.365 -0.457 1.00 16.90 C +ATOM 586 ND1 HIS A 96 24.923 -27.019 -1.434 1.00 15.62 N +ATOM 587 CD2 HIS A 96 23.371 -28.460 -0.919 1.00 18.23 C +ATOM 588 CE1 HIS A 96 24.839 -27.875 -2.440 1.00 16.07 C +ATOM 589 NE2 HIS A 96 23.904 -28.759 -2.151 1.00 17.70 N +ATOM 590 N ARG A 97 24.798 -25.638 3.694 1.00 17.37 N +ATOM 591 CA ARG A 97 24.525 -24.832 4.873 1.00 15.09 C +ATOM 592 C ARG A 97 25.645 -23.820 5.118 1.00 16.62 C +ATOM 593 O ARG A 97 25.395 -22.678 5.494 1.00 16.57 O +ATOM 594 CB ARG A 97 24.314 -25.730 6.093 1.00 12.02 C +ATOM 595 CG ARG A 97 23.811 -24.994 7.323 1.00 11.33 C +ATOM 596 CD ARG A 97 23.642 -25.948 8.472 1.00 12.38 C +ATOM 597 NE ARG A 97 22.697 -27.032 8.216 1.00 15.31 N +ATOM 598 CZ ARG A 97 21.422 -27.040 8.630 1.00 17.96 C +ATOM 599 NH1 ARG A 97 20.921 -26.012 9.312 1.00 15.89 N +ATOM 600 NH2 ARG A 97 20.666 -28.118 8.441 1.00 18.19 N +ATOM 601 N LYS A 98 26.883 -24.219 4.861 1.00 19.25 N +ATOM 602 CA LYS A 98 27.998 -23.312 5.072 1.00 20.50 C +ATOM 603 C LYS A 98 27.983 -22.184 4.079 1.00 18.09 C +ATOM 604 O LYS A 98 28.003 -21.023 4.478 1.00 20.14 O +ATOM 605 CB LYS A 98 29.324 -24.039 4.974 1.00 27.06 C +ATOM 606 CG LYS A 98 29.808 -24.623 6.264 1.00 33.25 C +ATOM 607 CD LYS A 98 31.240 -25.071 6.082 1.00 39.81 C +ATOM 608 CE LYS A 98 32.090 -23.947 5.472 1.00 44.47 C +ATOM 609 NZ LYS A 98 32.296 -22.815 6.427 1.00 47.34 N +ATOM 610 N ILE A 99 27.949 -22.524 2.788 1.00 15.40 N +ATOM 611 CA ILE A 99 27.938 -21.523 1.717 1.00 15.01 C +ATOM 612 C ILE A 99 26.802 -20.529 1.923 1.00 17.44 C +ATOM 613 O ILE A 99 27.014 -19.307 1.926 1.00 18.10 O +ATOM 614 CB ILE A 99 27.728 -22.153 0.328 1.00 15.52 C +ATOM 615 CG1 ILE A 99 28.645 -23.348 0.118 1.00 16.84 C +ATOM 616 CG2 ILE A 99 28.032 -21.138 -0.728 1.00 16.45 C +ATOM 617 CD1 ILE A 99 30.108 -22.999 0.168 1.00 18.50 C +ATOM 618 N TYR A 100 25.598 -21.070 2.126 1.00 19.20 N +ATOM 619 CA TYR A 100 24.403 -20.267 2.326 1.00 18.81 C +ATOM 620 C TYR A 100 24.547 -19.345 3.510 1.00 16.22 C +ATOM 621 O TYR A 100 24.117 -18.185 3.454 1.00 19.82 O +ATOM 622 CB TYR A 100 23.190 -21.153 2.496 1.00 24.97 C +ATOM 623 CG TYR A 100 21.898 -20.417 2.284 1.00 30.83 C +ATOM 624 CD1 TYR A 100 21.482 -20.044 1.004 1.00 31.83 C +ATOM 625 CD2 TYR A 100 21.095 -20.079 3.366 1.00 35.02 C +ATOM 626 CE1 TYR A 100 20.306 -19.348 0.814 1.00 34.30 C +ATOM 627 CE2 TYR A 100 19.917 -19.384 3.192 1.00 37.14 C +ATOM 628 CZ TYR A 100 19.526 -19.019 1.921 1.00 38.42 C +ATOM 629 OH TYR A 100 18.367 -18.281 1.803 1.00 42.34 O +ATOM 630 N THR A 101 25.186 -19.830 4.566 1.00 11.06 N +ATOM 631 CA THR A 101 25.388 -18.998 5.738 1.00 13.10 C +ATOM 632 C THR A 101 26.369 -17.858 5.493 1.00 11.97 C +ATOM 633 O THR A 101 26.133 -16.706 5.874 1.00 11.20 O +ATOM 634 CB THR A 101 25.880 -19.837 6.946 1.00 19.30 C +ATOM 635 OG1 THR A 101 24.880 -20.809 7.296 1.00 23.86 O +ATOM 636 CG2 THR A 101 26.154 -18.938 8.162 1.00 18.32 C +ATOM 637 N MET A 102 27.494 -18.180 4.873 1.00 13.67 N +ATOM 638 CA MET A 102 28.506 -17.169 4.622 1.00 14.03 C +ATOM 639 C MET A 102 27.932 -16.089 3.752 1.00 13.43 C +ATOM 640 O MET A 102 28.082 -14.910 4.059 1.00 13.36 O +ATOM 641 CB MET A 102 29.748 -17.787 3.990 1.00 15.52 C +ATOM 642 CG MET A 102 30.469 -18.757 4.907 1.00 16.74 C +ATOM 643 SD MET A 102 32.005 -19.317 4.198 1.00 19.43 S +ATOM 644 CE MET A 102 31.533 -20.724 3.326 1.00 17.64 C +ATOM 645 N ILE A 103 27.232 -16.506 2.697 1.00 15.07 N +ATOM 646 CA ILE A 103 26.593 -15.577 1.774 1.00 17.58 C +ATOM 647 C ILE A 103 25.575 -14.690 2.508 1.00 20.37 C +ATOM 648 O ILE A 103 25.527 -13.486 2.277 1.00 18.95 O +ATOM 649 CB ILE A 103 25.883 -16.321 0.634 1.00 17.88 C +ATOM 650 CG1 ILE A 103 26.896 -17.111 -0.193 1.00 17.49 C +ATOM 651 CG2 ILE A 103 25.152 -15.335 -0.267 1.00 17.47 C +ATOM 652 CD1 ILE A 103 26.266 -17.985 -1.286 1.00 15.46 C +ATOM 653 N TYR A 104 24.791 -15.269 3.417 1.00 26.57 N +ATOM 654 CA TYR A 104 23.812 -14.487 4.168 1.00 30.90 C +ATOM 655 C TYR A 104 24.384 -13.445 5.095 1.00 31.73 C +ATOM 656 O TYR A 104 23.786 -12.399 5.278 1.00 31.18 O +ATOM 657 CB TYR A 104 22.841 -15.375 4.922 1.00 36.22 C +ATOM 658 CG TYR A 104 21.502 -15.350 4.254 1.00 43.21 C +ATOM 659 CD1 TYR A 104 21.219 -16.222 3.208 1.00 46.10 C +ATOM 660 CD2 TYR A 104 20.546 -14.381 4.591 1.00 47.20 C +ATOM 661 CE1 TYR A 104 20.031 -16.134 2.505 1.00 49.00 C +ATOM 662 CE2 TYR A 104 19.338 -14.286 3.885 1.00 50.18 C +ATOM 663 CZ TYR A 104 19.091 -15.175 2.840 1.00 51.57 C +ATOM 664 OH TYR A 104 17.904 -15.133 2.138 1.00 53.78 O +ATOM 665 N ARG A 105 25.558 -13.712 5.652 1.00 35.53 N +ATOM 666 CA ARG A 105 26.227 -12.764 6.549 1.00 34.37 C +ATOM 667 C ARG A 105 26.539 -11.468 5.814 1.00 30.61 C +ATOM 668 O ARG A 105 26.762 -10.429 6.439 1.00 32.92 O +ATOM 669 CB ARG A 105 27.538 -13.365 7.096 1.00 38.15 C +ATOM 670 CG ARG A 105 27.350 -14.668 7.876 1.00 43.81 C +ATOM 671 CD ARG A 105 28.516 -14.975 8.808 1.00 49.18 C +ATOM 672 NE ARG A 105 29.578 -15.760 8.174 1.00 54.51 N +ATOM 673 CZ ARG A 105 30.684 -15.253 7.623 1.00 57.35 C +ATOM 674 NH1 ARG A 105 30.904 -13.938 7.603 1.00 58.70 N +ATOM 675 NH2 ARG A 105 31.589 -16.072 7.106 1.00 57.31 N +ATOM 676 N ASN A 106 26.546 -11.532 4.487 1.00 27.25 N +ATOM 677 CA ASN A 106 26.864 -10.377 3.657 1.00 27.34 C +ATOM 678 C ASN A 106 25.679 -9.699 3.022 1.00 27.34 C +ATOM 679 O ASN A 106 25.842 -8.848 2.149 1.00 25.54 O +ATOM 680 CB ASN A 106 27.853 -10.770 2.563 1.00 30.39 C +ATOM 681 CG ASN A 106 29.258 -10.946 3.091 1.00 30.78 C +ATOM 682 OD1 ASN A 106 29.664 -12.058 3.420 1.00 31.77 O +ATOM 683 ND2 ASN A 106 30.002 -9.839 3.207 1.00 28.54 N +ATOM 684 N LEU A 107 24.487 -10.065 3.465 1.00 29.67 N +ATOM 685 CA LEU A 107 23.276 -9.482 2.929 1.00 28.94 C +ATOM 686 C LEU A 107 22.467 -8.866 4.044 1.00 30.37 C +ATOM 687 O LEU A 107 22.684 -9.133 5.225 1.00 29.22 O +ATOM 688 CB LEU A 107 22.390 -10.558 2.300 1.00 25.42 C +ATOM 689 CG LEU A 107 22.846 -11.433 1.151 1.00 22.75 C +ATOM 690 CD1 LEU A 107 21.897 -12.599 1.086 1.00 23.42 C +ATOM 691 CD2 LEU A 107 22.903 -10.680 -0.153 1.00 20.95 C +ATOM 692 N VAL A 108 21.459 -8.118 3.631 1.00 32.60 N +ATOM 693 CA VAL A 108 20.518 -7.502 4.535 1.00 34.59 C +ATOM 694 C VAL A 108 19.180 -7.624 3.820 1.00 34.90 C +ATOM 695 O VAL A 108 19.119 -7.559 2.589 1.00 32.74 O +ATOM 696 CB VAL A 108 20.914 -6.048 4.869 1.00 36.33 C +ATOM 697 CG1 VAL A 108 21.650 -5.412 3.709 1.00 37.75 C +ATOM 698 CG2 VAL A 108 19.690 -5.236 5.243 1.00 36.99 C +ATOM 699 N VAL A 109 18.143 -7.864 4.619 1.00 38.64 N +ATOM 700 CA VAL A 109 16.736 -8.058 4.213 1.00 40.78 C +ATOM 701 C VAL A 109 16.520 -9.550 3.941 1.00 42.51 C +ATOM 702 O VAL A 109 17.481 -10.242 3.539 1.00 42.68 O +ATOM 703 CB VAL A 109 16.277 -7.204 2.975 1.00 41.86 C +ATOM 704 CG1 VAL A 109 14.762 -7.298 2.791 1.00 41.92 C +ATOM 705 CG2 VAL A 109 16.649 -5.745 3.141 1.00 43.61 C +TER 706 VAL A 109 +ATOM 707 N GLU B 17 32.075 -34.286 -11.853 1.00 52.56 N +ATOM 708 CA GLU B 17 31.206 -33.198 -11.326 1.00 50.89 C +ATOM 709 C GLU B 17 31.909 -31.865 -11.563 1.00 44.52 C +ATOM 710 O GLU B 17 32.999 -31.632 -11.049 1.00 46.37 O +ATOM 711 CB GLU B 17 30.912 -33.429 -9.824 1.00 55.17 C +ATOM 712 CG GLU B 17 32.078 -34.013 -8.980 1.00 58.48 C +ATOM 713 CD GLU B 17 32.839 -32.976 -8.139 1.00 60.32 C +ATOM 714 OE1 GLU B 17 32.302 -32.543 -7.098 1.00 60.54 O +ATOM 715 OE2 GLU B 17 33.988 -32.618 -8.498 1.00 60.63 O +ATOM 716 N THR B 18 31.324 -31.015 -12.390 1.00 36.89 N +ATOM 717 CA THR B 18 31.948 -29.737 -12.658 1.00 32.17 C +ATOM 718 C THR B 18 31.419 -28.661 -11.707 1.00 26.92 C +ATOM 719 O THR B 18 30.376 -28.848 -11.062 1.00 25.44 O +ATOM 720 CB THR B 18 31.733 -29.316 -14.107 1.00 33.65 C +ATOM 721 OG1 THR B 18 30.372 -28.917 -14.291 1.00 33.86 O +ATOM 722 CG2 THR B 18 32.040 -30.485 -15.032 1.00 35.00 C +ATOM 723 N PHE B 19 32.143 -27.542 -11.625 1.00 22.45 N +ATOM 724 CA PHE B 19 31.769 -26.453 -10.742 1.00 17.73 C +ATOM 725 C PHE B 19 30.344 -26.019 -10.974 1.00 21.74 C +ATOM 726 O PHE B 19 29.549 -25.992 -10.043 1.00 22.84 O +ATOM 727 CB PHE B 19 32.674 -25.245 -10.916 1.00 12.04 C +ATOM 728 CG PHE B 19 32.265 -24.076 -10.062 1.00 12.01 C +ATOM 729 CD1 PHE B 19 32.438 -24.116 -8.685 1.00 12.17 C +ATOM 730 CD2 PHE B 19 31.667 -22.955 -10.628 1.00 11.53 C +ATOM 731 CE1 PHE B 19 32.021 -23.055 -7.889 1.00 13.45 C +ATOM 732 CE2 PHE B 19 31.246 -21.888 -9.839 1.00 10.96 C +ATOM 733 CZ PHE B 19 31.421 -21.935 -8.468 1.00 11.75 C +ATOM 734 N SER B 20 30.030 -25.693 -12.225 1.00 24.64 N +ATOM 735 CA SER B 20 28.703 -25.237 -12.606 1.00 26.30 C +ATOM 736 C SER B 20 27.575 -26.173 -12.205 1.00 27.49 C +ATOM 737 O SER B 20 26.509 -25.712 -11.822 1.00 28.40 O +ATOM 738 CB SER B 20 28.652 -24.947 -14.093 1.00 27.55 C +ATOM 739 OG SER B 20 28.286 -23.593 -14.268 1.00 30.01 O +ATOM 740 N ASP B 21 27.809 -27.478 -12.284 1.00 27.30 N +ATOM 741 CA ASP B 21 26.814 -28.452 -11.882 1.00 28.79 C +ATOM 742 C ASP B 21 26.639 -28.352 -10.378 1.00 29.54 C +ATOM 743 O ASP B 21 25.519 -28.300 -9.873 1.00 33.11 O +ATOM 744 CB ASP B 21 27.281 -29.875 -12.205 1.00 33.00 C +ATOM 745 CG ASP B 21 27.479 -30.112 -13.692 1.00 38.52 C +ATOM 746 OD1 ASP B 21 26.877 -29.358 -14.503 1.00 39.73 O +ATOM 747 OD2 ASP B 21 28.238 -31.057 -14.042 1.00 40.32 O +ATOM 748 N LEU B 22 27.761 -28.324 -9.665 1.00 26.27 N +ATOM 749 CA LEU B 22 27.753 -28.274 -8.217 1.00 21.85 C +ATOM 750 C LEU B 22 27.124 -27.006 -7.657 1.00 22.11 C +ATOM 751 O LEU B 22 26.320 -27.064 -6.716 1.00 24.72 O +ATOM 752 CB LEU B 22 29.180 -28.412 -7.685 1.00 18.73 C +ATOM 753 CG LEU B 22 29.872 -29.738 -7.354 1.00 15.80 C +ATOM 754 CD1 LEU B 22 29.042 -30.916 -7.782 1.00 14.53 C +ATOM 755 CD2 LEU B 22 31.236 -29.774 -8.020 1.00 14.98 C +ATOM 756 N TRP B 23 27.477 -25.871 -8.251 1.00 19.21 N +ATOM 757 CA TRP B 23 27.021 -24.553 -7.803 1.00 20.10 C +ATOM 758 C TRP B 23 25.532 -24.284 -8.011 1.00 25.27 C +ATOM 759 O TRP B 23 24.919 -23.498 -7.297 1.00 27.09 O +ATOM 760 CB TRP B 23 27.892 -23.448 -8.451 1.00 14.64 C +ATOM 761 CG TRP B 23 27.585 -22.055 -8.009 1.00 11.74 C +ATOM 762 CD1 TRP B 23 26.730 -21.178 -8.613 1.00 10.40 C +ATOM 763 CD2 TRP B 23 28.090 -21.382 -6.842 1.00 11.59 C +ATOM 764 NE1 TRP B 23 26.659 -20.002 -7.892 1.00 8.62 N +ATOM 765 CE2 TRP B 23 27.478 -20.101 -6.799 1.00 10.54 C +ATOM 766 CE3 TRP B 23 28.990 -21.731 -5.830 1.00 11.67 C +ATOM 767 CZ2 TRP B 23 27.738 -19.177 -5.784 1.00 11.03 C +ATOM 768 CZ3 TRP B 23 29.251 -20.809 -4.825 1.00 10.73 C +ATOM 769 CH2 TRP B 23 28.623 -19.548 -4.812 1.00 10.81 C +ATOM 770 N LYS B 24 24.939 -24.930 -8.991 1.00 30.12 N +ATOM 771 CA LYS B 24 23.530 -24.716 -9.231 1.00 35.48 C +ATOM 772 C LYS B 24 22.646 -25.442 -8.219 1.00 35.68 C +ATOM 773 O LYS B 24 21.451 -25.171 -8.134 1.00 39.75 O +ATOM 774 CB LYS B 24 23.180 -25.083 -10.671 1.00 41.39 C +ATOM 775 CG LYS B 24 23.805 -24.114 -11.676 1.00 46.84 C +ATOM 776 CD LYS B 24 23.803 -24.649 -13.100 1.00 50.66 C +ATOM 777 CE LYS B 24 24.657 -23.764 -13.999 1.00 52.44 C +ATOM 778 NZ LYS B 24 24.754 -24.351 -15.355 1.00 53.53 N +ATOM 779 N LEU B 25 23.240 -26.308 -7.408 1.00 31.53 N +ATOM 780 CA LEU B 25 22.485 -27.035 -6.394 1.00 28.43 C +ATOM 781 C LEU B 25 22.403 -26.295 -5.067 1.00 27.36 C +ATOM 782 O LEU B 25 22.155 -26.900 -4.030 1.00 28.91 O +ATOM 783 CB LEU B 25 23.113 -28.401 -6.153 1.00 28.84 C +ATOM 784 CG LEU B 25 23.201 -29.321 -7.366 1.00 30.87 C +ATOM 785 CD1 LEU B 25 23.891 -30.600 -6.922 1.00 30.42 C +ATOM 786 CD2 LEU B 25 21.808 -29.605 -7.945 1.00 30.75 C +ATOM 787 N LEU B 26 22.657 -24.998 -5.083 1.00 28.16 N +ATOM 788 CA LEU B 26 22.616 -24.202 -3.862 1.00 30.58 C +ATOM 789 C LEU B 26 21.235 -23.583 -3.733 1.00 32.69 C +ATOM 790 O LEU B 26 20.630 -23.223 -4.753 1.00 33.43 O +ATOM 791 CB LEU B 26 23.652 -23.069 -3.918 1.00 30.27 C +ATOM 792 CG LEU B 26 25.131 -23.345 -4.163 1.00 29.57 C +ATOM 793 CD1 LEU B 26 25.825 -22.010 -4.268 1.00 29.65 C +ATOM 794 CD2 LEU B 26 25.723 -24.177 -3.038 1.00 29.90 C +ATOM 795 N PRO B 27 20.753 -23.387 -2.477 1.00 32.15 N +ATOM 796 CA PRO B 27 19.442 -22.801 -2.172 1.00 32.91 C +ATOM 797 C PRO B 27 19.329 -21.458 -2.877 1.00 36.74 C +ATOM 798 O PRO B 27 20.105 -20.538 -2.608 1.00 37.93 O +ATOM 799 CB PRO B 27 19.491 -22.646 -0.660 1.00 31.00 C +ATOM 800 CG PRO B 27 20.369 -23.774 -0.245 1.00 28.74 C +ATOM 801 CD PRO B 27 21.480 -23.661 -1.226 1.00 29.37 C +ATOM 802 N GLU B 28 18.368 -21.373 -3.794 1.00 39.68 N +ATOM 803 CA GLU B 28 18.139 -20.187 -4.619 1.00 41.42 C +ATOM 804 C GLU B 28 17.306 -19.049 -4.048 1.00 41.07 C +ATOM 805 O GLU B 28 17.039 -18.062 -4.733 1.00 44.94 O +ATOM 806 CB GLU B 28 17.603 -20.610 -5.988 1.00 43.50 C +ATOM 807 CG GLU B 28 16.553 -21.693 -5.923 1.00 46.41 C +ATOM 808 CD GLU B 28 16.395 -22.434 -7.228 1.00 50.74 C +ATOM 809 OE1 GLU B 28 17.341 -22.426 -8.054 1.00 50.52 O +ATOM 810 OE2 GLU B 28 15.315 -23.043 -7.418 1.00 54.75 O +ATOM 811 N ASN B 29 16.925 -19.172 -2.791 1.00 37.74 N +ATOM 812 CA ASN B 29 16.147 -18.147 -2.112 1.00 37.72 C +ATOM 813 C ASN B 29 16.548 -18.261 -0.669 1.00 30.80 C +ATOM 814 O ASN B 29 17.159 -19.284 -0.370 1.00 28.87 O +ATOM 815 CB ASN B 29 14.634 -18.393 -2.256 1.00 44.98 C +ATOM 816 CG ASN B 29 14.044 -17.784 -3.540 1.00 49.82 C +ATOM 817 OD1 ASN B 29 14.536 -16.773 -4.071 1.00 50.99 O +ATOM 818 ND2 ASN B 29 12.963 -18.387 -4.023 1.00 51.64 N +ATOM 819 OXT ASN B 29 16.296 -17.351 0.139 1.00 30.36 O +TER 820 ASN B 29 +MASTER 273 0 0 5 2 0 0 6 818 2 0 11 +END diff --git a/data/targets/ppi_sanity_check/mdm2_4hg7.pdb b/data/targets/ppi_sanity_check/mdm2_4hg7.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f48dbd46fd17a856f7d5cdd32b471ebd413f7567 --- /dev/null +++ b/data/targets/ppi_sanity_check/mdm2_4hg7.pdb @@ -0,0 +1,2303 @@ +HEADER LIGASE 07-OCT-12 4HG7 +TITLE CRYSTAL STRUCTURE OF AN MDM2/NUTLIN-3A COMPLEX +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: E3 UBIQUITIN-PROTEIN LIGASE MDM2; +COMPND 3 CHAIN: A; +COMPND 4 FRAGMENT: P53 BINDING DOMAIN (RESIDUES 17-125); +COMPND 5 SYNONYM: DOUBLE MINUTE 2 PROTEIN, HDM2, ONCOPROTEIN MDM2, P53-BINDING +COMPND 6 PROTEIN MDM2; +COMPND 7 EC: 6.3.2.-; +COMPND 8 ENGINEERED: YES; +COMPND 9 MUTATION: YES +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; +SOURCE 3 ORGANISM_COMMON: HUMAN; +SOURCE 4 ORGANISM_TAXID: 9606; +SOURCE 5 GENE: MDM2; +SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; +SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; +SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3); +SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; +SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PGEX6P1 +KEYWDS MDM2, NUTLIN-3A, SURFACE ENTROPY REDUCTION, MUTANT VALIDATION, LIGASE +EXPDTA X-RAY DIFFRACTION +AUTHOR M.E.M.NOBLE,B.ANIL,C.RIEDINGER,J.A.ENDICOTT +REVDAT 3 28-FEB-24 4HG7 1 REMARK SEQADV +REVDAT 2 21-AUG-13 4HG7 1 JRNL +REVDAT 1 31-JUL-13 4HG7 0 +JRNL AUTH B.ANIL,C.RIEDINGER,J.A.ENDICOTT,M.E.NOBLE +JRNL TITL THE STRUCTURE OF AN MDM2-NUTLIN-3A COMPLEX SOLVED BY THE USE +JRNL TITL 2 OF A VALIDATED MDM2 SURFACE-ENTROPY REDUCTION MUTANT. +JRNL REF ACTA CRYSTALLOGR.,SECT.D V. 69 1358 2013 +JRNL REFN ISSN 0907-4449 +JRNL PMID 23897459 +JRNL DOI 10.1107/S0907444913004459 +REMARK 2 +REMARK 2 RESOLUTION. 1.60 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : REFMAC 5.6.0117 +REMARK 3 AUTHORS : MURSHUDOV,SKUBAK,LEBEDEV,PANNU,STEINER, +REMARK 3 : NICHOLLS,WINN,LONG,VAGIN +REMARK 3 +REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.60 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 30.94 +REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.200 +REMARK 3 COMPLETENESS FOR RANGE (%) : 98.8 +REMARK 3 NUMBER OF REFLECTIONS : 20070 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT +REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM +REMARK 3 R VALUE (WORKING + TEST SET) : 0.176 +REMARK 3 R VALUE (WORKING SET) : 0.173 +REMARK 3 FREE R VALUE : 0.215 +REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 +REMARK 3 FREE R VALUE TEST SET COUNT : 1065 +REMARK 3 +REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. +REMARK 3 TOTAL NUMBER OF BINS USED : 20 +REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.60 +REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.64 +REMARK 3 REFLECTION IN BIN (WORKING SET) : 1299 +REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 98.84 +REMARK 3 BIN R VALUE (WORKING SET) : 0.2360 +REMARK 3 BIN FREE R VALUE SET COUNT : 61 +REMARK 3 BIN FREE R VALUE : 0.3060 +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 744 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 45 +REMARK 3 SOLVENT ATOMS : 97 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : NULL +REMARK 3 MEAN B VALUE (OVERALL, A**2) : 21.61 +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : -0.55000 +REMARK 3 B22 (A**2) : -0.55000 +REMARK 3 B33 (A**2) : 0.83000 +REMARK 3 B12 (A**2) : -0.28000 +REMARK 3 B13 (A**2) : 0.00000 +REMARK 3 B23 (A**2) : 0.00000 +REMARK 3 +REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. +REMARK 3 ESU BASED ON R VALUE (A): 0.081 +REMARK 3 ESU BASED ON FREE R VALUE (A): 0.076 +REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.043 +REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 2.668 +REMARK 3 +REMARK 3 CORRELATION COEFFICIENTS. +REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.955 +REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.934 +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT +REMARK 3 BOND LENGTHS REFINED ATOMS (A): 862 ; 0.014 ; 0.020 +REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL +REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 1181 ; 1.596 ; 2.063 +REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL +REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 108 ; 5.039 ; 5.000 +REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 35 ;41.647 ;24.286 +REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 165 ;12.277 ;15.000 +REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 4 ;16.794 ;15.000 +REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 132 ; 0.085 ; 0.200 +REMARK 3 GENERAL PLANES REFINED ATOMS (A): 646 ; 0.011 ; 0.021 +REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL +REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL +REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL +REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL +REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY VDW REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL +REMARK 3 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT +REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 LONG RANGE B REFINED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 LONG RANGE B OTHER ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 +REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT +REMARK 3 RIGID-BOND RESTRAINTS (A**2): 861 ; 4.481 ; 3.000 +REMARK 3 SPHERICITY; FREE ATOMS (A**2): 47 ;28.475 ; 5.000 +REMARK 3 SPHERICITY; BONDED ATOMS (A**2): 894 ;13.951 ; 5.000 +REMARK 3 +REMARK 3 NCS RESTRAINTS STATISTICS +REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL +REMARK 3 +REMARK 3 TLS DETAILS +REMARK 3 NUMBER OF TLS GROUPS : NULL +REMARK 3 +REMARK 3 BULK SOLVENT MODELLING. +REMARK 3 METHOD USED : MASK +REMARK 3 PARAMETERS FOR MASK CALCULATION +REMARK 3 VDW PROBE RADIUS : 1.20 +REMARK 3 ION PROBE RADIUS : 0.80 +REMARK 3 SHRINKAGE RADIUS : 0.80 +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN USED IF PRESENT IN +REMARK 3 THE INPUT +REMARK 4 +REMARK 4 4HG7 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 12-OCT-12. +REMARK 100 THE DEPOSITION ID IS D_1000075426. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : 26-NOV-10 +REMARK 200 TEMPERATURE (KELVIN) : 298 +REMARK 200 PH : 5.6 +REMARK 200 NUMBER OF CRYSTALS USED : 1 +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : Y +REMARK 200 RADIATION SOURCE : ESRF +REMARK 200 BEAMLINE : ID23-2 +REMARK 200 X-RAY GENERATOR MODEL : NULL +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 0.8726 +REMARK 200 MONOCHROMATOR : SI 111 CHANNEL +REMARK 200 OPTICS : NULL +REMARK 200 +REMARK 200 DETECTOR TYPE : CCD +REMARK 200 DETECTOR MANUFACTURER : MARMOSAIC 225 MM CCD +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS +REMARK 200 DATA SCALING SOFTWARE : XDS, SCALA +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 21274 +REMARK 200 RESOLUTION RANGE HIGH (A) : 1.600 +REMARK 200 RESOLUTION RANGE LOW (A) : 33.790 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 2.000 +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 99.5 +REMARK 200 DATA REDUNDANCY : NULL +REMARK 200 R MERGE (I) : NULL +REMARK 200 R SYM (I) : NULL +REMARK 200 FOR THE DATA SET : NULL +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.60 +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.69 +REMARK 200 COMPLETENESS FOR SHELL (%) : 99.5 +REMARK 200 DATA REDUNDANCY IN SHELL : NULL +REMARK 200 R MERGE FOR SHELL (I) : NULL +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 FOR SHELL : NULL +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT +REMARK 200 SOFTWARE USED: PHASER +REMARK 200 STARTING MODEL: NULL +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 64.50 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.46 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: 0.5 M AMMONIUM SULFATE, 0.1 M SODIUM +REMARK 280 CITRATE, 1.0 M LITHIUM SULFATE, PH 5.6, VAPOR DIFFUSION, SITTING +REMARK 280 DROP, TEMPERATURE 277K +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 65 2 2 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -Y,X-Y,Z+2/3 +REMARK 290 3555 -X+Y,-X,Z+1/3 +REMARK 290 4555 -X,-Y,Z+1/2 +REMARK 290 5555 Y,-X+Y,Z+1/6 +REMARK 290 6555 X-Y,X,Z+5/6 +REMARK 290 7555 Y,X,-Z+2/3 +REMARK 290 8555 X-Y,-Y,-Z +REMARK 290 9555 -X,-X+Y,-Z+1/3 +REMARK 290 10555 -Y,-X,-Z+1/6 +REMARK 290 11555 -X+Y,Y,-Z+1/2 +REMARK 290 12555 X,X-Y,-Z+5/6 +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 69.46933 +REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 34.73467 +REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 52.10200 +REMARK 290 SMTRY1 5 0.500000 0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 5 -0.866025 0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 17.36733 +REMARK 290 SMTRY1 6 0.500000 -0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 6 0.866025 0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 86.83667 +REMARK 290 SMTRY1 7 -0.500000 0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 7 0.866025 0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 69.46933 +REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 SMTRY1 9 -0.500000 -0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 9 -0.866025 0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 9 0.000000 0.000000 -1.000000 34.73467 +REMARK 290 SMTRY1 10 0.500000 -0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 10 -0.866025 -0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 10 0.000000 0.000000 -1.000000 17.36733 +REMARK 290 SMTRY1 11 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 11 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 11 0.000000 0.000000 -1.000000 52.10200 +REMARK 290 SMTRY1 12 0.500000 0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 12 0.866025 -0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 12 0.000000 0.000000 -1.000000 86.83667 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1, 2 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 +REMARK 350 BIOMOLECULE: 2 +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 1170 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 10140 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -9.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 BIOMT1 2 0.500000 0.866025 0.000000 -35.72500 +REMARK 350 BIOMT2 2 0.866025 -0.500000 0.000000 61.87752 +REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 -17.36733 +REMARK 465 +REMARK 465 MISSING RESIDUES +REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE +REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) +REMARK 465 +REMARK 465 M RES C SSSEQI +REMARK 465 GLY A 12 +REMARK 465 PRO A 13 +REMARK 465 LEU A 14 +REMARK 465 GLY A 15 +REMARK 465 SER A 16 +REMARK 465 SER A 17 +REMARK 800 +REMARK 800 SITE +REMARK 800 SITE_IDENTIFIER: AC1 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NUT A 201 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC2 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 202 +REMARK 900 +REMARK 900 RELATED ENTRIES +REMARK 900 RELATED ID: 4HFZ RELATED DB: PDB +REMARK 900 STRUCTURE SOLVED USING THE SAME SURFACE MUTATIONS OF THE SAME +REMARK 900 CONSTRUCT +DBREF 4HG7 A 17 108 UNP Q00987 MDM2_HUMAN 17 108 +SEQADV 4HG7 GLY A 12 UNP Q00987 EXPRESSION TAG +SEQADV 4HG7 PRO A 13 UNP Q00987 EXPRESSION TAG +SEQADV 4HG7 LEU A 14 UNP Q00987 EXPRESSION TAG +SEQADV 4HG7 GLY A 15 UNP Q00987 EXPRESSION TAG +SEQADV 4HG7 SER A 16 UNP Q00987 EXPRESSION TAG +SEQADV 4HG7 ALA A 69 UNP Q00987 GLU 69 ENGINEERED MUTATION +SEQADV 4HG7 ALA A 70 UNP Q00987 LYS 70 ENGINEERED MUTATION +SEQRES 1 A 97 GLY PRO LEU GLY SER SER GLN ILE PRO ALA SER GLU GLN +SEQRES 2 A 97 GLU THR LEU VAL ARG PRO LYS PRO LEU LEU LEU LYS LEU +SEQRES 3 A 97 LEU LYS SER VAL GLY ALA GLN LYS ASP THR TYR THR MET +SEQRES 4 A 97 LYS GLU VAL LEU PHE TYR LEU GLY GLN TYR ILE MET THR +SEQRES 5 A 97 LYS ARG LEU TYR ASP ALA ALA GLN GLN HIS ILE VAL TYR +SEQRES 6 A 97 CYS SER ASN ASP LEU LEU GLY ASP LEU PHE GLY VAL PRO +SEQRES 7 A 97 SER PHE SER VAL LYS GLU HIS ARG LYS ILE TYR THR MET +SEQRES 8 A 97 ILE TYR ARG ASN LEU VAL +HET NUT A 201 40 +HET SO4 A 202 5 +HETNAM NUT 4-({(4S,5R)-4,5-BIS(4-CHLOROPHENYL)-2-[4-METHOXY-2- +HETNAM 2 NUT (PROPAN-2-YLOXY)PHENYL]-4,5-DIHYDRO-1H-IMIDAZOL-1- +HETNAM 3 NUT YL}CARBONYL)PIPERAZIN-2-ONE +HETNAM SO4 SULFATE ION +HETSYN NUT NUTLIN 3A +FORMUL 2 NUT C30 H30 CL2 N4 O4 +FORMUL 3 SO4 O4 S 2- +FORMUL 4 HOH *97(H2 O) +HELIX 1 1 PRO A 20 GLU A 25 1 6 +HELIX 2 2 LYS A 31 VAL A 41 1 11 +HELIX 3 3 MET A 50 LYS A 64 1 15 +HELIX 4 4 ASP A 80 GLY A 87 1 8 +HELIX 5 5 GLU A 95 ARG A 105 1 11 +SHEET 1 A 2 LEU A 27 VAL A 28 0 +SHEET 2 A 2 TYR A 48 THR A 49 -1 O TYR A 48 N VAL A 28 +SHEET 1 B 2 ILE A 74 TYR A 76 0 +SHEET 2 B 2 SER A 90 SER A 92 -1 O PHE A 91 N VAL A 75 +SITE 1 AC1 14 PRO A 32 LEU A 54 LEU A 57 GLY A 58 +SITE 2 AC1 14 ILE A 61 MET A 62 GLN A 72 HIS A 73 +SITE 3 AC1 14 VAL A 93 HIS A 96 SO4 A 202 HOH A 307 +SITE 4 AC1 14 HOH A 327 HOH A 338 +SITE 1 AC2 9 LYS A 31 GLN A 71 GLN A 72 HIS A 73 +SITE 2 AC2 9 NUT A 201 HOH A 320 HOH A 324 HOH A 331 +SITE 3 AC2 9 HOH A 347 +CRYST1 71.450 71.450 104.204 90.00 90.00 120.00 P 65 2 2 12 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.013996 0.008080 0.000000 0.00000 +SCALE2 0.000000 0.016161 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.009597 0.00000 +ATOM 1 N GLN A 18 -33.251 16.116 -16.144 1.00 26.63 N +ANISOU 1 N GLN A 18 4640 2822 2656 -316 -1400 183 N +ATOM 2 CA GLN A 18 -33.744 16.395 -14.779 1.00 22.76 C +ANISOU 2 CA GLN A 18 3338 2405 2903 -275 -1288 305 C +ATOM 3 C GLN A 18 -33.202 17.722 -14.291 1.00 22.08 C +ANISOU 3 C GLN A 18 2621 2319 3449 -200 -497 -1 C +ATOM 4 O GLN A 18 -33.766 18.329 -13.368 1.00 24.13 O +ANISOU 4 O GLN A 18 2690 2483 3994 -237 -356 -205 O +ATOM 5 CB GLN A 18 -33.223 15.314 -13.819 1.00 21.88 C +ANISOU 5 CB GLN A 18 3432 1792 3088 -340 -1412 170 C +ATOM 6 CG GLN A 18 -33.750 13.922 -14.126 1.00 22.46 C +ANISOU 6 CG GLN A 18 3459 2103 2971 -580 -1541 -52 C +ATOM 7 CD GLN A 18 -33.207 12.844 -13.217 1.00 25.20 C +ANISOU 7 CD GLN A 18 3273 3187 3115 454 -1263 -53 C +ATOM 8 OE1 GLN A 18 -32.919 11.702 -13.662 1.00 29.66 O +ANISOU 8 OE1 GLN A 18 3349 3370 4550 232 -747 -698 O +ATOM 9 NE2 GLN A 18 -33.110 13.159 -11.948 1.00 17.15 N +ANISOU 9 NE2 GLN A 18 1933 1583 2999 -115 -781 -35 N +ATOM 10 N ILE A 19 -32.048 18.114 -14.839 1.00 17.77 N +ANISOU 10 N ILE A 19 2530 1935 2285 -338 -734 207 N +ATOM 11 CA ILE A 19 -31.388 19.371 -14.398 1.00 15.09 C +ANISOU 11 CA ILE A 19 2131 1737 1863 74 -659 62 C +ATOM 12 C ILE A 19 -31.360 20.363 -15.568 1.00 15.53 C +ANISOU 12 C ILE A 19 2361 1674 1864 182 -752 47 C +ATOM 13 O ILE A 19 -30.874 20.015 -16.645 1.00 17.20 O +ANISOU 13 O ILE A 19 2406 2015 2113 362 -660 -123 O +ATOM 14 CB ILE A 19 -29.940 19.163 -13.897 1.00 14.39 C +ANISOU 14 CB ILE A 19 2047 1801 1618 329 -410 228 C +ATOM 15 CG1 ILE A 19 -29.853 18.064 -12.782 1.00 12.77 C +ANISOU 15 CG1 ILE A 19 1935 1683 1231 127 -401 18 C +ATOM 16 CG2 ILE A 19 -29.332 20.499 -13.400 1.00 16.71 C +ANISOU 16 CG2 ILE A 19 1954 2286 2110 227 -202 -216 C +ATOM 17 CD1 ILE A 19 -30.565 18.411 -11.459 1.00 14.95 C +ANISOU 17 CD1 ILE A 19 2162 1975 1541 37 -134 -328 C +ATOM 18 N PRO A 20 -31.850 21.618 -15.350 1.00 15.79 N +ANISOU 18 N PRO A 20 2330 1730 1938 260 -608 14 N +ATOM 19 CA PRO A 20 -31.833 22.555 -16.472 1.00 16.93 C +ANISOU 19 CA PRO A 20 2676 1398 2358 320 -866 -67 C +ATOM 20 C PRO A 20 -30.406 22.832 -17.002 1.00 16.79 C +ANISOU 20 C PRO A 20 2548 1866 1964 138 -1057 145 C +ATOM 21 O PRO A 20 -29.440 22.933 -16.233 1.00 14.85 O +ANISOU 21 O PRO A 20 2305 1747 1591 299 -940 112 O +ATOM 22 CB PRO A 20 -32.480 23.840 -15.887 1.00 18.84 C +ANISOU 22 CB PRO A 20 2717 1295 3145 420 -428 91 C +ATOM 23 CG PRO A 20 -33.228 23.392 -14.660 1.00 21.77 C +ANISOU 23 CG PRO A 20 3463 2238 2569 951 -776 325 C +ATOM 24 CD PRO A 20 -32.571 22.141 -14.171 1.00 17.00 C +ANISOU 24 CD PRO A 20 2395 1895 2169 578 -544 157 C +ATOM 25 N ALA A 21 -30.285 22.997 -18.307 1.00 18.79 N +ANISOU 25 N ALA A 21 2905 2213 2022 250 -396 -137 N +ATOM 26 CA ALA A 21 -28.996 23.235 -18.942 1.00 18.45 C +ANISOU 26 CA ALA A 21 2932 2470 1605 -75 -384 67 C +ATOM 27 C ALA A 21 -28.269 24.431 -18.361 1.00 16.30 C +ANISOU 27 C ALA A 21 2630 1811 1750 274 -555 348 C +ATOM 28 O ALA A 21 -27.044 24.367 -18.157 1.00 17.22 O +ANISOU 28 O ALA A 21 2657 2174 1712 398 -620 64 O +ATOM 29 CB ALA A 21 -29.182 23.417 -20.449 1.00 21.78 C +ANISOU 29 CB ALA A 21 3815 2638 1820 308 -1291 -25 C +ATOM 30 N SER A 22 -28.998 25.516 -18.059 1.00 15.80 N +ANISOU 30 N SER A 22 2616 1886 1500 210 -835 148 N +ATOM 31 CA ASER A 22 -28.345 26.723 -17.527 0.80 15.69 C +ANISOU 31 CA ASER A 22 2635 1811 1516 415 -676 -30 C +ATOM 32 CA BSER A 22 -28.340 26.708 -17.516 0.20 15.19 C +ANISOU 32 CA BSER A 22 2460 1748 1563 299 -655 159 C +ATOM 33 C SER A 22 -27.637 26.438 -16.184 1.00 14.66 C +ANISOU 33 C SER A 22 2235 1760 1573 186 -587 265 C +ATOM 34 O SER A 22 -26.570 26.985 -15.905 1.00 15.22 O +ANISOU 34 O SER A 22 2118 1875 1790 210 -331 80 O +ATOM 35 CB ASER A 22 -29.349 27.885 -17.393 0.80 18.00 C +ANISOU 35 CB ASER A 22 2303 2321 2215 657 -523 449 C +ATOM 36 CB BSER A 22 -29.339 27.848 -17.370 0.20 15.24 C +ANISOU 36 CB BSER A 22 2316 1870 1603 397 -782 534 C +ATOM 37 OG ASER A 22 -30.358 27.609 -16.431 0.80 19.75 O +ANISOU 37 OG ASER A 22 2193 2306 3005 85 -402 427 O +ATOM 38 OG BSER A 22 -29.824 28.215 -18.642 0.20 15.16 O +ANISOU 38 OG BSER A 22 2227 1701 1831 446 -923 671 O +ATOM 39 N GLU A 23 -28.238 25.588 -15.365 1.00 13.27 N +ANISOU 39 N GLU A 23 2096 1531 1415 257 -548 46 N +ATOM 40 CA GLU A 23 -27.706 25.250 -14.063 1.00 11.57 C +ANISOU 40 CA GLU A 23 1771 1462 1163 353 -149 43 C +ATOM 41 C GLU A 23 -26.448 24.374 -14.226 1.00 12.43 C +ANISOU 41 C GLU A 23 1836 1591 1293 464 -281 -52 C +ATOM 42 O GLU A 23 -25.468 24.556 -13.499 1.00 14.56 O +ANISOU 42 O GLU A 23 1996 1841 1695 306 -436 240 O +ATOM 43 CB GLU A 23 -28.777 24.514 -13.238 1.00 12.59 C +ANISOU 43 CB GLU A 23 1860 1612 1309 214 -341 235 C +ATOM 44 CG GLU A 23 -28.287 24.177 -11.848 1.00 12.34 C +ANISOU 44 CG GLU A 23 1650 1493 1543 353 -578 286 C +ATOM 45 CD GLU A 23 -29.328 23.506 -10.983 1.00 13.98 C +ANISOU 45 CD GLU A 23 1851 1683 1775 365 -351 197 C +ATOM 46 OE1 GLU A 23 -30.501 23.358 -11.410 1.00 13.47 O +ANISOU 46 OE1 GLU A 23 1999 1782 1336 288 -445 222 O +ATOM 47 OE2 GLU A 23 -28.941 23.116 -9.853 1.00 13.93 O +ANISOU 47 OE2 GLU A 23 2487 1486 1320 427 -150 -209 O +ATOM 48 N GLN A 24 -26.479 23.471 -15.221 1.00 12.50 N +ANISOU 48 N GLN A 24 1584 1550 1615 226 -493 -215 N +ATOM 49 CA GLN A 24 -25.328 22.600 -15.501 1.00 13.66 C +ANISOU 49 CA GLN A 24 1791 1652 1745 283 -194 -182 C +ATOM 50 C GLN A 24 -24.129 23.416 -15.972 1.00 14.42 C +ANISOU 50 C GLN A 24 2127 1758 1593 247 -210 325 C +ATOM 51 O GLN A 24 -22.978 23.016 -15.766 1.00 15.26 O +ANISOU 51 O GLN A 24 2034 2152 1609 90 -218 204 O +ATOM 52 CB GLN A 24 -25.670 21.566 -16.587 1.00 14.10 C +ANISOU 52 CB GLN A 24 1895 1713 1747 132 25 -311 C +ATOM 53 CG GLN A 24 -26.841 20.662 -16.210 1.00 14.46 C +ANISOU 53 CG GLN A 24 2188 1596 1710 -162 -226 -61 C +ATOM 54 CD GLN A 24 -27.020 19.503 -17.177 1.00 18.58 C +ANISOU 54 CD GLN A 24 2896 2075 2085 -166 -348 -473 C +ATOM 55 OE1 GLN A 24 -26.041 18.835 -17.539 1.00 22.28 O +ANISOU 55 OE1 GLN A 24 3360 2345 2757 335 -464 -571 O +ATOM 56 NE2 GLN A 24 -28.266 19.248 -17.603 1.00 19.87 N +ANISOU 56 NE2 GLN A 24 3143 2237 2169 121 -820 -43 N +ATOM 57 N GLU A 25 -24.411 24.544 -16.624 1.00 14.67 N +ANISOU 57 N GLU A 25 2350 1814 1406 126 -397 307 N +ATOM 58 CA AGLU A 25 -23.328 25.316 -17.231 0.50 15.24 C +ANISOU 58 CA AGLU A 25 2618 1938 1233 143 -283 578 C +ATOM 59 CA BGLU A 25 -23.390 25.367 -17.271 0.50 15.29 C +ANISOU 59 CA BGLU A 25 2542 1946 1320 149 -363 555 C +ATOM 60 C GLU A 25 -22.832 26.463 -16.361 1.00 14.84 C +ANISOU 60 C GLU A 25 2312 1986 1338 370 -461 433 C +ATOM 61 O GLU A 25 -22.020 27.266 -16.793 1.00 21.60 O +ANISOU 61 O GLU A 25 3235 2514 2457 -118 -166 453 O +ATOM 62 CB AGLU A 25 -23.710 25.812 -18.634 0.50 16.61 C +ANISOU 62 CB AGLU A 25 2822 2281 1206 470 -336 474 C +ATOM 63 CB BGLU A 25 -23.934 25.982 -18.586 0.50 17.56 C +ANISOU 63 CB BGLU A 25 2931 2446 1291 58 -572 535 C +ATOM 64 CG AGLU A 25 -23.992 24.696 -19.628 0.50 22.33 C +ANISOU 64 CG AGLU A 25 3403 2803 2278 208 -378 -214 C +ATOM 65 CG BGLU A 25 -24.340 24.954 -19.636 0.50 21.22 C +ANISOU 65 CG BGLU A 25 3052 3438 1572 220 -1391 130 C +ATOM 66 CD AGLU A 25 -22.764 23.851 -19.922 0.50 21.72 C +ANISOU 66 CD AGLU A 25 3929 3237 1087 746 -361 -13 C +ATOM 67 CD BGLU A 25 -25.021 25.525 -20.879 0.50 26.01 C +ANISOU 67 CD BGLU A 25 3651 3640 2591 1145 -1344 203 C +ATOM 68 OE1AGLU A 25 -22.915 22.672 -20.297 0.50 30.23 O +ANISOU 68 OE1AGLU A 25 5597 3249 2639 543 -127 -348 O +ATOM 69 OE1BGLU A 25 -25.758 26.538 -20.824 0.50 27.52 O +ANISOU 69 OE1BGLU A 25 3838 3314 3304 1529 -879 1017 O +ATOM 70 OE2AGLU A 25 -21.642 24.363 -19.781 0.50 25.51 O +ANISOU 70 OE2AGLU A 25 3740 3979 1971 983 -71 -74 O +ATOM 71 OE2BGLU A 25 -24.842 24.920 -21.950 0.50 39.48 O +ANISOU 71 OE2BGLU A 25 5766 5705 3530 283 55 -1047 O +ATOM 72 N THR A 26 -23.281 26.509 -15.104 1.00 14.27 N +ANISOU 72 N THR A 26 2117 1823 1480 364 -543 171 N +ATOM 73 CA THR A 26 -22.842 27.558 -14.172 1.00 15.62 C +ANISOU 73 CA THR A 26 2160 1926 1849 165 -569 51 C +ATOM 74 C THR A 26 -21.462 27.224 -13.603 1.00 15.85 C +ANISOU 74 C THR A 26 2243 2018 1759 139 -516 219 C +ATOM 75 O THR A 26 -21.225 26.077 -13.205 1.00 15.10 O +ANISOU 75 O THR A 26 2039 1641 2057 -38 -339 96 O +ATOM 76 CB THR A 26 -23.883 27.687 -13.037 1.00 16.30 C +ANISOU 76 CB THR A 26 2216 2042 1934 271 -461 -87 C +ATOM 77 OG1 THR A 26 -25.091 28.192 -13.629 1.00 21.42 O +ANISOU 77 OG1 THR A 26 2551 2646 2940 360 -1031 -377 O +ATOM 78 CG2 THR A 26 -23.447 28.670 -11.975 1.00 17.75 C +ANISOU 78 CG2 THR A 26 2486 2193 2063 -226 -285 66 C +ATOM 79 N LEU A 27 -20.570 28.218 -13.588 1.00 15.17 N +ANISOU 79 N LEU A 27 1898 2232 1631 55 -479 130 N +ATOM 80 CA LEU A 27 -19.212 28.063 -13.030 1.00 14.25 C +ANISOU 80 CA LEU A 27 1936 1711 1766 -65 -482 578 C +ATOM 81 C LEU A 27 -19.252 28.024 -11.506 1.00 15.15 C +ANISOU 81 C LEU A 27 2201 1738 1815 125 -550 272 C +ATOM 82 O LEU A 27 -19.839 28.918 -10.873 1.00 15.64 O +ANISOU 82 O LEU A 27 2210 2017 1713 235 -442 373 O +ATOM 83 CB LEU A 27 -18.283 29.193 -13.512 1.00 16.16 C +ANISOU 83 CB LEU A 27 2037 1993 2108 -167 -296 672 C +ATOM 84 CG LEU A 27 -16.777 28.995 -13.263 1.00 19.41 C +ANISOU 84 CG LEU A 27 2214 2139 3022 -159 -394 315 C +ATOM 85 CD1 LEU A 27 -16.222 27.959 -14.241 1.00 21.37 C +ANISOU 85 CD1 LEU A 27 2366 2303 3450 634 -154 453 C +ATOM 86 CD2 LEU A 27 -16.050 30.325 -13.415 1.00 23.69 C +ANISOU 86 CD2 LEU A 27 2612 2629 3757 -541 -142 519 C +ATOM 87 N VAL A 28 -18.608 27.015 -10.910 1.00 14.49 N +ANISOU 87 N VAL A 28 2193 1493 1819 -160 -563 307 N +ATOM 88 CA VAL A 28 -18.543 26.887 -9.458 1.00 15.32 C +ANISOU 88 CA VAL A 28 2067 1758 1995 -378 -533 532 C +ATOM 89 C VAL A 28 -17.112 26.638 -8.995 1.00 15.78 C +ANISOU 89 C VAL A 28 2190 1754 2051 -188 -661 175 C +ATOM 90 O VAL A 28 -16.222 26.321 -9.811 1.00 15.89 O +ANISOU 90 O VAL A 28 2005 1809 2223 -39 -551 473 O +ATOM 91 CB VAL A 28 -19.461 25.735 -8.965 1.00 13.82 C +ANISOU 91 CB VAL A 28 1736 1714 1801 -136 -424 610 C +ATOM 92 CG1 VAL A 28 -20.934 26.068 -9.313 1.00 17.35 C +ANISOU 92 CG1 VAL A 28 1859 2517 2217 -24 -698 671 C +ATOM 93 CG2 VAL A 28 -19.030 24.400 -9.592 1.00 16.56 C +ANISOU 93 CG2 VAL A 28 2329 1725 2235 -434 -474 463 C +ATOM 94 N ARG A 29 -16.904 26.762 -7.682 1.00 14.38 N +ANISOU 94 N ARG A 29 1823 1628 2010 3 -704 634 N +ATOM 95 CA ARG A 29 -15.579 26.613 -7.073 1.00 13.71 C +ANISOU 95 CA ARG A 29 1776 1240 2191 -167 -843 241 C +ATOM 96 C ARG A 29 -15.649 25.531 -6.029 1.00 13.63 C +ANISOU 96 C ARG A 29 1898 1374 1907 -253 -739 126 C +ATOM 97 O ARG A 29 -16.136 25.779 -4.930 1.00 14.66 O +ANISOU 97 O ARG A 29 2062 1520 1988 -218 -721 148 O +ATOM 98 CB ARG A 29 -15.109 27.923 -6.425 1.00 15.65 C +ANISOU 98 CB ARG A 29 1991 1406 2549 -729 -476 307 C +ATOM 99 CG ARG A 29 -13.683 27.868 -5.884 1.00 21.97 C +ANISOU 99 CG ARG A 29 2555 2305 3487 -539 -1276 224 C +ATOM 100 CD ARG A 29 -13.241 29.194 -5.290 1.00 27.46 C +ANISOU 100 CD ARG A 29 4330 2716 3385 -1549 -757 368 C +ATOM 101 NE ARG A 29 -13.150 30.249 -6.290 1.00 32.40 N +ANISOU 101 NE ARG A 29 5718 2374 4216 -1757 -892 456 N +ATOM 102 CZ ARG A 29 -12.098 30.469 -7.085 1.00 38.59 C +ANISOU 102 CZ ARG A 29 6046 3877 4736 -601 -243 1252 C +ATOM 103 NH1 ARG A 29 -11.008 29.687 -7.031 1.00 33.71 N +ANISOU 103 NH1 ARG A 29 4592 3489 4725 -1999 -448 706 N +ATOM 104 NH2 ARG A 29 -12.143 31.485 -7.941 1.00 32.09 N +ANISOU 104 NH2 ARG A 29 4541 3571 4077 -343 -1348 885 N +ATOM 105 N PRO A 30 -15.181 24.316 -6.348 1.00 13.07 N +ANISOU 105 N PRO A 30 1693 1467 1805 -115 -663 269 N +ATOM 106 CA PRO A 30 -15.167 23.263 -5.294 1.00 13.18 C +ANISOU 106 CA PRO A 30 1905 1272 1828 43 -843 239 C +ATOM 107 C PRO A 30 -14.380 23.676 -4.026 1.00 14.69 C +ANISOU 107 C PRO A 30 2222 1502 1854 -115 -915 298 C +ATOM 108 O PRO A 30 -13.327 24.342 -4.121 1.00 16.92 O +ANISOU 108 O PRO A 30 2160 2071 2196 -149 -807 82 O +ATOM 109 CB PRO A 30 -14.405 22.110 -5.977 1.00 13.49 C +ANISOU 109 CB PRO A 30 2277 1242 1605 115 -788 235 C +ATOM 110 CG PRO A 30 -14.762 22.288 -7.456 1.00 15.77 C +ANISOU 110 CG PRO A 30 2552 1571 1867 -69 -942 969 C +ATOM 111 CD PRO A 30 -14.720 23.808 -7.660 1.00 14.98 C +ANISOU 111 CD PRO A 30 2158 1416 2117 118 -322 321 C +ATOM 112 N LYS A 31 -14.847 23.256 -2.852 1.00 14.59 N +ANISOU 112 N LYS A 31 2113 1686 1741 -220 -994 216 N +ATOM 113 CA LYS A 31 -13.977 23.335 -1.654 1.00 13.86 C +ANISOU 113 CA LYS A 31 1899 1465 1899 -226 -993 85 C +ATOM 114 C LYS A 31 -12.770 22.350 -1.863 1.00 15.59 C +ANISOU 114 C LYS A 31 1973 1674 2275 -103 -1118 -140 C +ATOM 115 O LYS A 31 -12.827 21.470 -2.737 1.00 14.44 O +ANISOU 115 O LYS A 31 2139 1438 1909 56 -1123 47 O +ATOM 116 CB LYS A 31 -14.767 22.947 -0.377 1.00 14.58 C +ANISOU 116 CB LYS A 31 2468 1600 1472 211 -811 -37 C +ATOM 117 CG LYS A 31 -15.923 23.899 -0.039 1.00 17.58 C +ANISOU 117 CG LYS A 31 2326 2106 2245 454 -848 231 C +ATOM 118 CD LYS A 31 -16.698 23.330 1.174 1.00 18.03 C +ANISOU 118 CD LYS A 31 2601 2157 2089 601 -574 207 C +ATOM 119 CE LYS A 31 -17.917 24.171 1.536 1.00 22.36 C +ANISOU 119 CE LYS A 31 3021 3146 2329 825 -362 294 C +ATOM 120 NZ LYS A 31 -18.520 23.621 2.790 1.00 22.36 N +ANISOU 120 NZ LYS A 31 2599 3744 2152 -38 -839 429 N +ATOM 121 N PRO A 32 -11.689 22.496 -1.083 1.00 14.00 N +ANISOU 121 N PRO A 32 1862 1556 1900 -232 -933 80 N +ATOM 122 CA PRO A 32 -10.471 21.711 -1.373 1.00 14.88 C +ANISOU 122 CA PRO A 32 1762 1640 2249 -417 -1129 215 C +ATOM 123 C PRO A 32 -10.620 20.195 -1.342 1.00 15.12 C +ANISOU 123 C PRO A 32 1852 1578 2312 -122 -1028 396 C +ATOM 124 O PRO A 32 -9.906 19.527 -2.091 1.00 17.98 O +ANISOU 124 O PRO A 32 2099 1665 3066 -161 -977 28 O +ATOM 125 CB PRO A 32 -9.494 22.178 -0.287 1.00 16.13 C +ANISOU 125 CB PRO A 32 1937 1600 2588 -449 -1406 239 C +ATOM 126 CG PRO A 32 -9.899 23.610 -0.065 1.00 17.20 C +ANISOU 126 CG PRO A 32 1719 1826 2989 -200 -948 225 C +ATOM 127 CD PRO A 32 -11.432 23.532 -0.055 1.00 15.96 C +ANISOU 127 CD PRO A 32 1743 1545 2777 -552 -1099 -268 C +ATOM 128 N LEU A 33 -11.503 19.630 -0.497 1.00 14.16 N +ANISOU 128 N LEU A 33 1915 1290 2174 -271 -979 276 N +ATOM 129 CA LEU A 33 -11.629 18.164 -0.491 1.00 13.71 C +ANISOU 129 CA LEU A 33 1711 1414 2082 -517 -791 161 C +ATOM 130 C LEU A 33 -12.263 17.635 -1.782 1.00 13.85 C +ANISOU 130 C LEU A 33 1784 1416 2061 -122 -976 240 C +ATOM 131 O LEU A 33 -11.824 16.615 -2.303 1.00 15.54 O +ANISOU 131 O LEU A 33 1737 1665 2499 255 -1029 10 O +ATOM 132 CB LEU A 33 -12.380 17.667 0.750 1.00 15.11 C +ANISOU 132 CB LEU A 33 2073 1711 1957 -291 -689 444 C +ATOM 133 CG LEU A 33 -11.661 17.938 2.072 1.00 16.99 C +ANISOU 133 CG LEU A 33 2367 2149 1939 -247 -782 576 C +ATOM 134 CD1 LEU A 33 -12.505 17.536 3.265 1.00 19.43 C +ANISOU 134 CD1 LEU A 33 2345 2353 2681 -697 -340 630 C +ATOM 135 CD2 LEU A 33 -10.289 17.279 2.121 1.00 19.80 C +ANISOU 135 CD2 LEU A 33 2364 2755 2402 -149 -1062 685 C +ATOM 136 N LEU A 34 -13.298 18.296 -2.281 1.00 13.66 N +ANISOU 136 N LEU A 34 1632 1634 1924 -361 -1154 212 N +ATOM 137 CA LEU A 34 -13.846 17.888 -3.563 1.00 12.93 C +ANISOU 137 CA LEU A 34 1544 1714 1653 -21 -876 108 C +ATOM 138 C LEU A 34 -12.805 18.134 -4.651 1.00 13.48 C +ANISOU 138 C LEU A 34 1558 1570 1992 -24 -789 169 C +ATOM 139 O LEU A 34 -12.677 17.308 -5.588 1.00 15.20 O +ANISOU 139 O LEU A 34 1795 1697 2282 150 -909 -9 O +ATOM 140 CB LEU A 34 -15.147 18.621 -3.880 1.00 13.60 C +ANISOU 140 CB LEU A 34 1946 1479 1742 162 -1097 227 C +ATOM 141 CG LEU A 34 -15.764 18.385 -5.268 1.00 13.33 C +ANISOU 141 CG LEU A 34 1680 1486 1896 55 -997 -316 C +ATOM 142 CD1 LEU A 34 -16.003 16.885 -5.555 1.00 14.65 C +ANISOU 142 CD1 LEU A 34 1914 1564 2088 117 -737 -679 C +ATOM 143 CD2 LEU A 34 -17.067 19.162 -5.437 1.00 16.29 C +ANISOU 143 CD2 LEU A 34 1920 1803 2465 397 -889 -370 C +ATOM 144 N LEU A 35 -12.069 19.248 -4.547 1.00 13.80 N +ANISOU 144 N LEU A 35 1435 1689 2119 -103 -567 363 N +ATOM 145 CA LEU A 35 -11.061 19.550 -5.571 1.00 15.22 C +ANISOU 145 CA LEU A 35 1952 1599 2230 -314 -248 256 C +ATOM 146 C LEU A 35 -10.012 18.424 -5.630 1.00 18.01 C +ANISOU 146 C LEU A 35 2072 2112 2656 -33 -718 335 C +ATOM 147 O LEU A 35 -9.621 18.009 -6.726 1.00 18.84 O +ANISOU 147 O LEU A 35 2100 2397 2659 -395 -300 149 O +ATOM 148 CB LEU A 35 -10.383 20.916 -5.327 1.00 19.62 C +ANISOU 148 CB LEU A 35 2628 2088 2737 -945 -457 154 C +ATOM 149 CG LEU A 35 -9.569 21.462 -6.513 1.00 22.63 C +ANISOU 149 CG LEU A 35 3041 2287 3271 -659 -305 572 C +ATOM 150 CD1 LEU A 35 -10.470 21.765 -7.700 1.00 25.75 C +ANISOU 150 CD1 LEU A 35 3898 2736 3148 -501 -527 692 C +ATOM 151 CD2 LEU A 35 -8.857 22.738 -6.081 1.00 27.69 C +ANISOU 151 CD2 LEU A 35 3380 2700 4438 -1402 -848 1134 C +ATOM 152 N LYS A 36 -9.569 17.940 -4.466 1.00 16.70 N +ANISOU 152 N LYS A 36 1767 2022 2555 -77 -745 375 N +ATOM 153 CA LYS A 36 -8.657 16.773 -4.362 1.00 18.01 C +ANISOU 153 CA LYS A 36 1842 2309 2689 238 -900 206 C +ATOM 154 C LYS A 36 -9.157 15.574 -5.186 1.00 18.81 C +ANISOU 154 C LYS A 36 1797 2192 3155 180 -493 90 C +ATOM 155 O LYS A 36 -8.394 14.946 -5.935 1.00 20.68 O +ANISOU 155 O LYS A 36 2061 3126 2670 638 -557 132 O +ATOM 156 CB LYS A 36 -8.448 16.347 -2.887 1.00 18.31 C +ANISOU 156 CB LYS A 36 1599 2682 2675 389 -979 318 C +ATOM 157 CG LYS A 36 -7.600 15.068 -2.671 1.00 27.44 C +ANISOU 157 CG LYS A 36 3756 3162 3505 1229 -1132 820 C +ATOM 158 CD LYS A 36 -7.466 14.629 -1.183 1.00 26.47 C +ANISOU 158 CD LYS A 36 4085 2674 3297 1594 -1208 432 C +ATOM 159 CE LYS A 36 -6.844 13.245 -0.985 1.00 39.07 C +ANISOU 159 CE LYS A 36 5595 4054 5196 2852 -1446 -288 C +ATOM 160 NZ LYS A 36 -5.442 13.217 -1.459 1.00 52.34 N +ANISOU 160 NZ LYS A 36 6093 6940 6853 3225 139 262 N +ATOM 161 N LEU A 37 -10.435 15.248 -4.996 1.00 16.56 N +ANISOU 161 N LEU A 37 1776 2153 2362 234 -667 87 N +ATOM 162 CA ALEU A 37 -11.074 14.181 -5.722 0.80 16.88 C +ANISOU 162 CA ALEU A 37 1831 1934 2648 -14 -398 235 C +ATOM 163 CA BLEU A 37 -11.110 14.185 -5.745 0.20 16.62 C +ANISOU 163 CA BLEU A 37 1799 1959 2556 176 -500 142 C +ATOM 164 C LEU A 37 -10.994 14.398 -7.244 1.00 15.74 C +ANISOU 164 C LEU A 37 1624 1776 2579 410 -458 276 C +ATOM 165 O LEU A 37 -10.601 13.485 -8.004 1.00 19.03 O +ANISOU 165 O LEU A 37 2199 1965 3065 613 -96 124 O +ATOM 166 CB ALEU A 37 -12.517 14.074 -5.247 0.80 18.13 C +ANISOU 166 CB ALEU A 37 1970 2398 2519 334 -185 597 C +ATOM 167 CB BLEU A 37 -12.597 14.123 -5.389 0.20 17.04 C +ANISOU 167 CB BLEU A 37 1866 2205 2402 261 -397 220 C +ATOM 168 CG ALEU A 37 -13.303 12.825 -5.576 0.80 17.96 C +ANISOU 168 CG ALEU A 37 2511 1716 2595 809 -188 178 C +ATOM 169 CG BLEU A 37 -13.025 13.500 -4.072 0.20 17.30 C +ANISOU 169 CG BLEU A 37 2257 1997 2317 341 -390 115 C +ATOM 170 CD1ALEU A 37 -14.388 12.587 -4.514 0.80 21.75 C +ANISOU 170 CD1ALEU A 37 2453 2454 3353 -180 88 444 C +ATOM 171 CD1BLEU A 37 -14.530 13.288 -4.075 0.20 16.85 C +ANISOU 171 CD1BLEU A 37 2218 2209 1975 447 69 -123 C +ATOM 172 CD2ALEU A 37 -13.907 12.941 -6.965 0.80 18.88 C +ANISOU 172 CD2ALEU A 37 1945 2082 3143 855 -633 -19 C +ATOM 173 CD2BLEU A 37 -12.296 12.182 -3.898 0.20 17.49 C +ANISOU 173 CD2BLEU A 37 1993 1921 2730 271 -543 -70 C +ATOM 174 N LEU A 38 -11.366 15.583 -7.699 1.00 14.85 N +ANISOU 174 N LEU A 38 1563 1690 2387 118 -377 288 N +ATOM 175 CA LEU A 38 -11.334 15.871 -9.128 1.00 15.76 C +ANISOU 175 CA LEU A 38 1852 1779 2357 625 -83 332 C +ATOM 176 C LEU A 38 -9.913 15.810 -9.692 1.00 17.86 C +ANISOU 176 C LEU A 38 1736 2358 2690 269 -238 464 C +ATOM 177 O LEU A 38 -9.712 15.249 -10.771 1.00 19.22 O +ANISOU 177 O LEU A 38 2253 2563 2487 376 -146 245 O +ATOM 178 CB LEU A 38 -11.965 17.248 -9.413 1.00 17.36 C +ANISOU 178 CB LEU A 38 2438 1870 2286 779 -170 323 C +ATOM 179 CG LEU A 38 -13.399 17.427 -8.890 1.00 19.92 C +ANISOU 179 CG LEU A 38 2042 1979 3544 591 -579 -8 C +ATOM 180 CD1 LEU A 38 -13.897 18.828 -9.233 1.00 21.77 C +ANISOU 180 CD1 LEU A 38 2939 2158 3172 522 -1159 404 C +ATOM 181 CD2 LEU A 38 -14.403 16.354 -9.330 1.00 21.39 C +ANISOU 181 CD2 LEU A 38 2251 2679 3194 261 -545 -43 C +ATOM 182 N LYS A 39 -8.941 16.369 -8.958 1.00 17.27 N +ANISOU 182 N LYS A 39 1581 2306 2674 156 -43 373 N +ATOM 183 CA ALYS A 39 -7.535 16.370 -9.384 0.80 20.32 C +ANISOU 183 CA ALYS A 39 1440 2772 3506 495 -174 261 C +ATOM 184 CA BLYS A 39 -7.542 16.372 -9.384 0.20 19.02 C +ANISOU 184 CA BLYS A 39 1580 2574 3072 188 -14 383 C +ATOM 185 C LYS A 39 -7.005 14.948 -9.502 1.00 20.77 C +ANISOU 185 C LYS A 39 1914 2602 3373 333 143 357 C +ATOM 186 O LYS A 39 -6.138 14.674 -10.339 1.00 22.91 O +ANISOU 186 O LYS A 39 2043 3079 3581 432 259 210 O +ATOM 187 CB ALYS A 39 -6.664 17.118 -8.365 0.80 27.22 C +ANISOU 187 CB ALYS A 39 2285 3428 4626 -285 -185 -341 C +ATOM 188 CB BLYS A 39 -6.683 17.175 -8.399 0.20 22.26 C +ANISOU 188 CB BLYS A 39 1994 3168 3295 -426 -18 381 C +ATOM 189 CG ALYS A 39 -6.998 18.593 -8.197 0.80 35.34 C +ANISOU 189 CG ALYS A 39 3461 3801 6167 -15 679 -1196 C +ATOM 190 CG BLYS A 39 -6.841 18.687 -8.504 0.20 16.46 C +ANISOU 190 CG BLYS A 39 1947 2806 1499 -1308 515 897 C +ATOM 191 CD ALYS A 39 -6.122 19.481 -9.058 0.80 46.73 C +ANISOU 191 CD ALYS A 39 4811 5447 7497 -572 819 -31 C +ATOM 192 CD BLYS A 39 -5.676 19.332 -9.235 0.20 24.97 C +ANISOU 192 CD BLYS A 39 2380 5093 2014 -1995 41 1153 C +ATOM 193 CE ALYS A 39 -6.504 20.944 -8.911 0.80 50.95 C +ANISOU 193 CE ALYS A 39 5353 5818 8184 -311 -309 -1517 C +ATOM 194 CE BLYS A 39 -5.863 20.837 -9.350 0.20 32.23 C +ANISOU 194 CE BLYS A 39 3810 4860 3573 -391 -551 914 C +ATOM 195 NZ ALYS A 39 -5.934 21.539 -7.673 0.80 45.67 N +ANISOU 195 NZ ALYS A 39 4217 5853 7283 2315 -1128 -828 N +ATOM 196 NZ BLYS A 39 -7.231 21.202 -9.814 0.20 27.20 N +ANISOU 196 NZ BLYS A 39 4825 2698 2808 -90 -1194 1608 N +ATOM 197 N SER A 40 -7.510 14.045 -8.650 1.00 20.31 N +ANISOU 197 N SER A 40 2050 2341 3323 140 -514 432 N +ATOM 198 CA SER A 40 -7.035 12.661 -8.650 1.00 20.43 C +ANISOU 198 CA SER A 40 2383 2350 3031 379 222 402 C +ATOM 199 C SER A 40 -7.358 11.925 -9.970 1.00 21.56 C +ANISOU 199 C SER A 40 2307 2703 3182 991 99 -57 C +ATOM 200 O SER A 40 -6.747 10.895 -10.276 1.00 26.02 O +ANISOU 200 O SER A 40 2461 3246 4179 1445 863 112 O +ATOM 201 CB SER A 40 -7.577 11.860 -7.450 1.00 21.29 C +ANISOU 201 CB SER A 40 2237 2438 3414 635 92 1087 C +ATOM 202 OG SER A 40 -8.902 11.408 -7.660 1.00 22.40 O +ANISOU 202 OG SER A 40 2618 2577 3313 534 -4 481 O +ATOM 203 N VAL A 41 -8.320 12.450 -10.729 1.00 20.85 N +ANISOU 203 N VAL A 41 2360 3066 2493 256 72 457 N +ATOM 204 CA VAL A 41 -8.633 11.890 -12.054 1.00 22.32 C +ANISOU 204 CA VAL A 41 2144 3185 3151 63 -201 -32 C +ATOM 205 C VAL A 41 -8.337 12.882 -13.186 1.00 25.13 C +ANISOU 205 C VAL A 41 2499 3581 3466 305 -201 220 C +ATOM 206 O VAL A 41 -8.910 12.814 -14.273 1.00 29.35 O +ANISOU 206 O VAL A 41 3330 4044 3775 -2 -700 -206 O +ATOM 207 CB VAL A 41 -10.066 11.325 -12.141 1.00 20.54 C +ANISOU 207 CB VAL A 41 2322 2422 3058 -163 330 -92 C +ATOM 208 CG1 VAL A 41 -10.173 10.030 -11.340 1.00 21.52 C +ANISOU 208 CG1 VAL A 41 1818 2620 3736 -204 654 265 C +ATOM 209 CG2 VAL A 41 -11.087 12.354 -11.688 1.00 23.39 C +ANISOU 209 CG2 VAL A 41 1924 3372 3588 126 -3 -196 C +ATOM 210 N GLY A 42 -7.410 13.792 -12.921 1.00 22.53 N +ANISOU 210 N GLY A 42 2489 2776 3293 465 444 101 N +ATOM 211 CA GLY A 42 -6.778 14.567 -13.977 1.00 26.78 C +ANISOU 211 CA GLY A 42 3437 3456 3280 434 182 797 C +ATOM 212 C GLY A 42 -7.330 15.966 -14.175 1.00 28.06 C +ANISOU 212 C GLY A 42 2937 3446 4275 442 983 535 C +ATOM 213 O GLY A 42 -6.894 16.683 -15.081 1.00 29.01 O +ANISOU 213 O GLY A 42 3508 4133 3378 649 1013 604 O +ATOM 214 N ALA A 43 -8.254 16.396 -13.328 1.00 22.63 N +ANISOU 214 N ALA A 43 2120 3158 3320 131 393 766 N +ATOM 215 CA ALA A 43 -8.718 17.778 -13.451 1.00 26.76 C +ANISOU 215 CA ALA A 43 2737 3161 4268 193 656 756 C +ATOM 216 C ALA A 43 -7.592 18.747 -13.070 1.00 31.60 C +ANISOU 216 C ALA A 43 3305 4195 4504 -193 -148 985 C +ATOM 217 O ALA A 43 -6.753 18.439 -12.215 1.00 34.55 O +ANISOU 217 O ALA A 43 3433 5076 4615 -664 -544 732 O +ATOM 218 CB ALA A 43 -9.971 18.001 -12.625 1.00 24.13 C +ANISOU 218 CB ALA A 43 2563 2942 3662 357 421 895 C +ATOM 219 N GLN A 44 -7.539 19.900 -13.722 1.00 29.02 N +ANISOU 219 N GLN A 44 2507 3463 5054 275 1068 469 N +ATOM 220 CA GLN A 44 -6.370 20.783 -13.560 1.00 36.59 C +ANISOU 220 CA GLN A 44 3982 4096 5821 -670 1429 -273 C +ATOM 221 C GLN A 44 -6.634 22.220 -13.106 1.00 38.50 C +ANISOU 221 C GLN A 44 3455 3678 7494 213 323 287 C +ATOM 222 O GLN A 44 -5.698 23.010 -12.995 1.00 49.02 O +ANISOU 222 O GLN A 44 3009 5657 9957 -236 145 408 O +ATOM 223 CB GLN A 44 -5.545 20.792 -14.848 1.00 41.85 C +ANISOU 223 CB GLN A 44 4356 5111 6431 -2 2037 642 C +ATOM 224 CG GLN A 44 -4.759 19.512 -15.064 1.00 44.13 C +ANISOU 224 CG GLN A 44 4714 5952 6101 306 1851 -252 C +ATOM 225 CD GLN A 44 -3.743 19.664 -16.160 1.00 36.81 C +ANISOU 225 CD GLN A 44 4008 5994 3984 978 487 -134 C +ATOM 226 OE1 GLN A 44 -4.096 19.773 -17.343 1.00 50.75 O +ANISOU 226 OE1 GLN A 44 7044 8120 4117 -126 -15 1012 O +ATOM 227 NE2 GLN A 44 -2.467 19.680 -15.781 1.00 47.46 N +ANISOU 227 NE2 GLN A 44 4246 6085 7699 -356 17 -545 N +ATOM 228 N LYS A 45 -7.889 22.552 -12.833 1.00 33.17 N +ANISOU 228 N LYS A 45 3195 4080 5327 -271 588 410 N +ATOM 229 CA LYS A 45 -8.305 23.942 -12.588 1.00 29.68 C +ANISOU 229 CA LYS A 45 2900 3965 4409 -455 301 758 C +ATOM 230 C LYS A 45 -8.889 24.065 -11.184 1.00 28.42 C +ANISOU 230 C LYS A 45 2999 3346 4452 -210 230 786 C +ATOM 231 O LYS A 45 -9.115 23.053 -10.528 1.00 24.06 O +ANISOU 231 O LYS A 45 2254 3049 3838 78 -356 762 O +ATOM 232 CB LYS A 45 -9.380 24.342 -13.600 1.00 36.24 C +ANISOU 232 CB LYS A 45 4538 4767 4461 -115 295 2205 C +ATOM 233 CG LYS A 45 -8.996 24.188 -15.069 1.00 47.61 C +ANISOU 233 CG LYS A 45 6243 6848 4998 1015 -54 566 C +ATOM 234 CD LYS A 45 -10.193 24.471 -15.969 1.00 47.58 C +ANISOU 234 CD LYS A 45 7347 7074 3656 241 -824 -640 C +ATOM 235 CE LYS A 45 -11.296 23.436 -15.778 1.00 54.67 C +ANISOU 235 CE LYS A 45 7562 7231 5976 165 -901 -494 C +ATOM 236 NZ LYS A 45 -12.624 23.910 -16.255 1.00 53.09 N +ANISOU 236 NZ LYS A 45 6576 4874 8722 -368 692 905 N +ATOM 237 N ASP A 46 -9.156 25.298 -10.746 1.00 22.74 N +ANISOU 237 N ASP A 46 1776 3451 3410 -403 -182 290 N +ATOM 238 CA ASP A 46 -9.816 25.549 -9.469 1.00 22.20 C +ANISOU 238 CA ASP A 46 2133 2657 3643 -225 -304 331 C +ATOM 239 C ASP A 46 -11.323 25.763 -9.624 1.00 20.26 C +ANISOU 239 C ASP A 46 2049 2865 2781 -447 -609 1194 C +ATOM 240 O ASP A 46 -12.053 25.720 -8.632 1.00 21.43 O +ANISOU 240 O ASP A 46 2362 2615 3162 -634 -373 693 O +ATOM 241 CB ASP A 46 -9.221 26.800 -8.802 1.00 27.42 C +ANISOU 241 CB ASP A 46 2734 3165 4518 -862 -834 210 C +ATOM 242 CG ASP A 46 -7.786 26.592 -8.336 1.00 34.01 C +ANISOU 242 CG ASP A 46 2796 3390 6734 -470 -997 586 C +ATOM 243 OD1 ASP A 46 -7.444 25.474 -7.892 1.00 33.09 O +ANISOU 243 OD1 ASP A 46 2422 4588 5560 -202 -960 1587 O +ATOM 244 OD2 ASP A 46 -6.996 27.557 -8.405 1.00 43.70 O +ANISOU 244 OD2 ASP A 46 2779 5750 8072 -1718 -842 543 O +ATOM 245 N THR A 47 -11.781 26.071 -10.845 1.00 17.73 N +ANISOU 245 N THR A 47 1742 2510 2484 -311 -506 399 N +ATOM 246 CA THR A 47 -13.216 26.316 -11.078 1.00 15.76 C +ANISOU 246 CA THR A 47 1837 1811 2339 -328 -658 380 C +ATOM 247 C THR A 47 -13.683 25.483 -12.252 1.00 17.16 C +ANISOU 247 C THR A 47 2073 2099 2347 -338 -509 369 C +ATOM 248 O THR A 47 -12.905 25.234 -13.162 1.00 20.22 O +ANISOU 248 O THR A 47 2311 2482 2888 -44 129 712 O +ATOM 249 CB THR A 47 -13.522 27.801 -11.344 1.00 18.68 C +ANISOU 249 CB THR A 47 2611 1950 2534 -221 -480 689 C +ATOM 250 OG1 THR A 47 -12.814 28.268 -12.496 1.00 23.64 O +ANISOU 250 OG1 THR A 47 2992 2440 3548 -763 -141 946 O +ATOM 251 CG2 THR A 47 -13.095 28.643 -10.135 1.00 23.97 C +ANISOU 251 CG2 THR A 47 3695 2819 2591 -355 -900 357 C +ATOM 252 N TYR A 48 -14.947 25.046 -12.211 1.00 16.31 N +ANISOU 252 N TYR A 48 2019 1892 2283 -427 -676 537 N +ATOM 253 CA TYR A 48 -15.509 24.142 -13.216 1.00 15.12 C +ANISOU 253 CA TYR A 48 1959 1816 1969 133 -724 419 C +ATOM 254 C TYR A 48 -16.980 24.461 -13.392 1.00 14.39 C +ANISOU 254 C TYR A 48 1876 1721 1869 189 -464 463 C +ATOM 255 O TYR A 48 -17.618 24.954 -12.456 1.00 17.68 O +ANISOU 255 O TYR A 48 2049 2311 2356 206 -388 100 O +ATOM 256 CB TYR A 48 -15.462 22.705 -12.691 1.00 17.93 C +ANISOU 256 CB TYR A 48 2177 1753 2881 112 -524 375 C +ATOM 257 CG TYR A 48 -14.063 22.223 -12.426 1.00 22.80 C +ANISOU 257 CG TYR A 48 2134 2752 3777 21 -673 441 C +ATOM 258 CD1 TYR A 48 -13.458 22.436 -11.166 1.00 21.36 C +ANISOU 258 CD1 TYR A 48 2250 2451 3414 -255 -501 981 C +ATOM 259 CD2 TYR A 48 -13.331 21.600 -13.410 1.00 26.80 C +ANISOU 259 CD2 TYR A 48 1981 3103 5099 -4 -311 -116 C +ATOM 260 CE1 TYR A 48 -12.182 22.003 -10.899 1.00 24.00 C +ANISOU 260 CE1 TYR A 48 2320 2684 4114 -104 -444 505 C +ATOM 261 CE2 TYR A 48 -12.018 21.160 -13.152 1.00 27.16 C +ANISOU 261 CE2 TYR A 48 2566 3311 4440 697 -803 311 C +ATOM 262 CZ TYR A 48 -11.459 21.369 -11.909 1.00 25.51 C +ANISOU 262 CZ TYR A 48 2449 2766 4478 56 -283 82 C +ATOM 263 OH TYR A 48 -10.179 20.943 -11.641 1.00 28.46 O +ANISOU 263 OH TYR A 48 2644 4340 3829 503 -197 483 O +ATOM 264 N THR A 49 -17.571 24.105 -14.525 1.00 14.72 N +ANISOU 264 N THR A 49 1839 1746 2006 162 -531 486 N +ATOM 265 CA THR A 49 -19.054 24.098 -14.542 1.00 14.61 C +ANISOU 265 CA THR A 49 1886 2042 1623 245 -312 484 C +ATOM 266 C THR A 49 -19.559 22.870 -13.769 1.00 14.96 C +ANISOU 266 C THR A 49 2029 1780 1872 184 -301 331 C +ATOM 267 O THR A 49 -18.813 21.881 -13.564 1.00 14.38 O +ANISOU 267 O THR A 49 1777 1828 1858 228 -429 68 O +ATOM 268 CB THR A 49 -19.609 24.015 -15.960 1.00 17.21 C +ANISOU 268 CB THR A 49 2829 2054 1655 101 -511 274 C +ATOM 269 OG1 THR A 49 -19.184 22.772 -16.543 1.00 16.36 O +ANISOU 269 OG1 THR A 49 2464 2055 1697 70 -237 317 O +ATOM 270 CG2 THR A 49 -19.132 25.216 -16.808 1.00 21.46 C +ANISOU 270 CG2 THR A 49 2948 2580 2622 -113 -424 841 C +ATOM 271 N MET A 50 -20.827 22.893 -13.358 1.00 14.11 N +ANISOU 271 N MET A 50 2028 1920 1413 148 -364 342 N +ATOM 272 CA MET A 50 -21.381 21.712 -12.683 1.00 13.67 C +ANISOU 272 CA MET A 50 1897 1723 1571 9 -221 155 C +ATOM 273 C MET A 50 -21.291 20.468 -13.595 1.00 13.47 C +ANISOU 273 C MET A 50 1948 1716 1450 21 -341 193 C +ATOM 274 O MET A 50 -20.989 19.353 -13.127 1.00 14.75 O +ANISOU 274 O MET A 50 1818 1992 1793 323 -204 300 O +ATOM 275 CB MET A 50 -22.835 21.950 -12.203 1.00 15.30 C +ANISOU 275 CB MET A 50 1864 2217 1729 519 -489 -293 C +ATOM 276 CG MET A 50 -22.918 22.827 -10.954 1.00 18.31 C +ANISOU 276 CG MET A 50 2820 2453 1683 199 -544 -322 C +ATOM 277 SD MET A 50 -22.226 22.016 -9.473 1.00 19.54 S +ANISOU 277 SD MET A 50 2305 3052 2067 -629 -613 277 S +ATOM 278 CE MET A 50 -23.601 20.990 -8.957 1.00 17.17 C +ANISOU 278 CE MET A 50 1958 2319 2245 -435 -652 127 C +ATOM 279 N LYS A 51 -21.540 20.653 -14.902 1.00 14.69 N +ANISOU 279 N LYS A 51 2101 2075 1404 98 -272 -40 N +ATOM 280 CA ALYS A 51 -21.438 19.548 -15.839 0.50 15.78 C +ANISOU 280 CA ALYS A 51 2495 2051 1447 303 -191 -24 C +ATOM 281 CA BLYS A 51 -21.430 19.558 -15.856 0.50 16.14 C +ANISOU 281 CA BLYS A 51 2525 2066 1538 332 -203 -69 C +ATOM 282 C LYS A 51 -20.030 18.919 -15.810 1.00 16.15 C +ANISOU 282 C LYS A 51 2310 1996 1830 72 -569 36 C +ATOM 283 O LYS A 51 -19.888 17.686 -15.854 1.00 15.66 O +ANISOU 283 O LYS A 51 2458 1912 1578 119 0 276 O +ATOM 284 CB ALYS A 51 -21.839 19.987 -17.256 0.50 17.96 C +ANISOU 284 CB ALYS A 51 3086 2147 1590 413 -463 11 C +ATOM 285 CB BLYS A 51 -21.786 20.025 -17.279 0.50 19.05 C +ANISOU 285 CB BLYS A 51 3297 2220 1719 407 -590 -23 C +ATOM 286 CG ALYS A 51 -22.098 18.826 -18.209 0.50 20.04 C +ANISOU 286 CG ALYS A 51 3239 2627 1746 179 -534 -207 C +ATOM 287 CG BLYS A 51 -21.732 18.915 -18.324 0.50 22.99 C +ANISOU 287 CG BLYS A 51 3790 2664 2278 463 -561 -473 C +ATOM 288 CD ALYS A 51 -22.588 19.321 -19.564 0.50 25.57 C +ANISOU 288 CD ALYS A 51 3420 4305 1989 119 -1138 -130 C +ATOM 289 CD BLYS A 51 -22.379 19.328 -19.639 0.50 30.62 C +ANISOU 289 CD BLYS A 51 4244 4696 2692 -28 -1334 -320 C +ATOM 290 CE ALYS A 51 -22.693 18.168 -20.541 0.50 31.73 C +ANISOU 290 CE ALYS A 51 4733 4145 3178 265 -1168 -447 C +ATOM 291 CE BLYS A 51 -22.190 18.235 -20.677 0.50 39.41 C +ANISOU 291 CE BLYS A 51 5773 5032 4167 20 -1349 -1117 C +ATOM 292 NZ ALYS A 51 -23.177 18.626 -21.871 0.50 31.08 N +ANISOU 292 NZ ALYS A 51 4608 3958 3241 726 -1177 -399 N +ATOM 293 NZ BLYS A 51 -22.549 16.895 -20.131 0.50 40.66 N +ANISOU 293 NZ BLYS A 51 5817 4672 4959 160 -569 -1281 N +ATOM 294 N GLU A 52 -18.987 19.758 -15.755 1.00 14.80 N +ANISOU 294 N GLU A 52 1974 2066 1583 182 -212 71 N +ATOM 295 CA GLU A 52 -17.600 19.258 -15.634 1.00 16.60 C +ANISOU 295 CA GLU A 52 2109 2284 1915 119 -18 383 C +ATOM 296 C GLU A 52 -17.376 18.531 -14.312 1.00 14.00 C +ANISOU 296 C GLU A 52 1902 1900 1517 120 -160 -48 C +ATOM 297 O GLU A 52 -16.707 17.493 -14.271 1.00 14.90 O +ANISOU 297 O GLU A 52 2244 1903 1511 218 -126 429 O +ATOM 298 CB GLU A 52 -16.591 20.404 -15.804 1.00 16.15 C +ANISOU 298 CB GLU A 52 2405 2137 1591 -23 287 413 C +ATOM 299 CG GLU A 52 -16.484 20.903 -17.229 1.00 20.95 C +ANISOU 299 CG GLU A 52 3135 2901 1924 156 582 919 C +ATOM 300 CD GLU A 52 -15.692 22.195 -17.368 1.00 26.18 C +ANISOU 300 CD GLU A 52 4001 3361 2585 -498 970 347 C +ATOM 301 OE1 GLU A 52 -15.714 23.017 -16.441 1.00 23.79 O +ANISOU 301 OE1 GLU A 52 3655 3024 2360 -556 449 599 O +ATOM 302 OE2 GLU A 52 -15.068 22.409 -18.436 0.50 27.20 O +ANISOU 302 OE2 GLU A 52 4138 3198 2995 -1739 1307 450 O +ATOM 303 N VAL A 53 -17.917 19.079 -13.210 1.00 13.20 N +ANISOU 303 N VAL A 53 1951 1894 1169 29 -207 182 N +ATOM 304 CA VAL A 53 -17.792 18.386 -11.901 1.00 12.43 C +ANISOU 304 CA VAL A 53 1826 1557 1339 152 -193 259 C +ATOM 305 C VAL A 53 -18.381 16.981 -11.992 1.00 12.23 C +ANISOU 305 C VAL A 53 1700 1714 1233 159 -353 141 C +ATOM 306 O VAL A 53 -17.753 16.006 -11.556 1.00 13.36 O +ANISOU 306 O VAL A 53 1866 1557 1650 248 -288 160 O +ATOM 307 CB VAL A 53 -18.443 19.191 -10.752 1.00 12.85 C +ANISOU 307 CB VAL A 53 2051 1348 1481 45 -96 314 C +ATOM 308 CG1 VAL A 53 -18.390 18.383 -9.469 1.00 13.15 C +ANISOU 308 CG1 VAL A 53 1605 1885 1505 182 -370 521 C +ATOM 309 CG2 VAL A 53 -17.706 20.522 -10.552 1.00 13.54 C +ANISOU 309 CG2 VAL A 53 1692 1489 1963 33 -124 -81 C +ATOM 310 N LEU A 54 -19.561 16.862 -12.612 1.00 12.17 N +ANISOU 310 N LEU A 54 1592 1691 1341 -144 -318 79 N +ATOM 311 CA LEU A 54 -20.178 15.536 -12.774 1.00 14.04 C +ANISOU 311 CA LEU A 54 1779 1835 1721 -60 -571 -263 C +ATOM 312 C LEU A 54 -19.363 14.610 -13.652 1.00 15.18 C +ANISOU 312 C LEU A 54 1971 1911 1885 91 -147 132 C +ATOM 313 O LEU A 54 -19.278 13.405 -13.373 1.00 16.02 O +ANISOU 313 O LEU A 54 2276 1731 2078 368 -572 -14 O +ATOM 314 CB LEU A 54 -21.606 15.693 -13.328 1.00 13.90 C +ANISOU 314 CB LEU A 54 1752 1856 1670 118 -519 221 C +ATOM 315 CG LEU A 54 -22.710 15.828 -12.277 1.00 14.83 C +ANISOU 315 CG LEU A 54 2440 1458 1733 -285 -30 -34 C +ATOM 316 CD1 LEU A 54 -22.787 14.614 -11.326 1.00 14.86 C +ANISOU 316 CD1 LEU A 54 2395 1606 1643 -167 -473 49 C +ATOM 317 CD2 LEU A 54 -22.487 17.114 -11.509 1.00 15.87 C +ANISOU 317 CD2 LEU A 54 2592 1486 1950 -163 16 -106 C +ATOM 318 N PHE A 55 -18.751 15.157 -14.712 1.00 15.46 N +ANISOU 318 N PHE A 55 2096 1931 1847 113 -132 145 N +ATOM 319 CA PHE A 55 -17.897 14.332 -15.573 1.00 15.52 C +ANISOU 319 CA PHE A 55 1828 2242 1826 111 -23 283 C +ATOM 320 C PHE A 55 -16.752 13.736 -14.759 1.00 16.22 C +ANISOU 320 C PHE A 55 2347 2005 1811 246 -344 -47 C +ATOM 321 O PHE A 55 -16.466 12.540 -14.820 1.00 18.75 O +ANISOU 321 O PHE A 55 2960 2153 2010 691 -353 234 O +ATOM 322 CB PHE A 55 -17.333 15.181 -16.707 1.00 17.06 C +ANISOU 322 CB PHE A 55 2378 2438 1666 263 181 196 C +ATOM 323 CG PHE A 55 -16.285 14.473 -17.502 1.00 21.18 C +ANISOU 323 CG PHE A 55 2933 3096 2017 847 222 -44 C +ATOM 324 CD1 PHE A 55 -16.650 13.545 -18.469 1.00 26.81 C +ANISOU 324 CD1 PHE A 55 4191 3190 2803 1062 -4 -261 C +ATOM 325 CD2 PHE A 55 -14.929 14.681 -17.228 1.00 22.41 C +ANISOU 325 CD2 PHE A 55 2958 3211 2345 594 259 457 C +ATOM 326 CE1 PHE A 55 -15.678 12.859 -19.186 1.00 29.79 C +ANISOU 326 CE1 PHE A 55 4320 3688 3310 1197 416 -295 C +ATOM 327 CE2 PHE A 55 -13.957 13.997 -17.933 1.00 27.78 C +ANISOU 327 CE2 PHE A 55 3775 3297 3483 857 72 -428 C +ATOM 328 CZ PHE A 55 -14.335 13.094 -18.922 1.00 32.42 C +ANISOU 328 CZ PHE A 55 4527 4330 3459 984 756 -1250 C +ATOM 329 N TYR A 56 -16.064 14.580 -14.009 1.00 14.56 N +ANISOU 329 N TYR A 56 2028 2087 1415 223 -338 10 N +ATOM 330 CA TYR A 56 -14.920 14.060 -13.228 1.00 16.29 C +ANISOU 330 CA TYR A 56 2032 2074 2083 1 -461 183 C +ATOM 331 C TYR A 56 -15.326 13.149 -12.075 1.00 16.29 C +ANISOU 331 C TYR A 56 2257 1846 2084 392 -163 51 C +ATOM 332 O TYR A 56 -14.615 12.185 -11.784 1.00 15.02 O +ANISOU 332 O TYR A 56 1969 1535 2201 219 141 185 O +ATOM 333 CB TYR A 56 -14.063 15.216 -12.730 1.00 16.34 C +ANISOU 333 CB TYR A 56 2024 2124 2061 -256 -124 251 C +ATOM 334 CG TYR A 56 -13.246 15.850 -13.847 1.00 19.35 C +ANISOU 334 CG TYR A 56 2283 2439 2630 -105 409 448 C +ATOM 335 CD1 TYR A 56 -12.200 15.154 -14.457 1.00 23.33 C +ANISOU 335 CD1 TYR A 56 2833 2864 3165 348 433 113 C +ATOM 336 CD2 TYR A 56 -13.506 17.160 -14.268 1.00 18.97 C +ANISOU 336 CD2 TYR A 56 2538 2251 2416 -404 71 391 C +ATOM 337 CE1 TYR A 56 -11.438 15.739 -15.466 1.00 26.23 C +ANISOU 337 CE1 TYR A 56 2883 3579 3502 179 553 109 C +ATOM 338 CE2 TYR A 56 -12.759 17.741 -15.284 1.00 24.67 C +ANISOU 338 CE2 TYR A 56 3133 3561 2680 -149 785 302 C +ATOM 339 CZ TYR A 56 -11.732 17.026 -15.874 1.00 28.60 C +ANISOU 339 CZ TYR A 56 3486 3827 3551 -169 1143 576 C +ATOM 340 OH TYR A 56 -11.005 17.631 -16.859 1.00 33.24 O +ANISOU 340 OH TYR A 56 3913 4345 4370 -276 1504 1118 O +ATOM 341 N LEU A 57 -16.448 13.446 -11.411 1.00 13.76 N +ANISOU 341 N LEU A 57 1938 1701 1590 71 -292 78 N +ATOM 342 CA ALEU A 57 -16.943 12.529 -10.365 0.80 13.84 C +ANISOU 342 CA ALEU A 57 2047 1508 1702 288 43 -12 C +ATOM 343 CA BLEU A 57 -16.987 12.565 -10.385 0.20 13.71 C +ANISOU 343 CA BLEU A 57 1990 1575 1642 256 -93 21 C +ATOM 344 C LEU A 57 -17.272 11.197 -11.002 1.00 13.42 C +ANISOU 344 C LEU A 57 1963 1569 1567 472 -176 -21 C +ATOM 345 O LEU A 57 -16.991 10.183 -10.428 1.00 13.47 O +ANISOU 345 O LEU A 57 1899 1587 1629 403 -104 49 O +ATOM 346 CB ALEU A 57 -18.195 13.045 -9.658 0.80 16.48 C +ANISOU 346 CB ALEU A 57 1849 2163 2247 217 27 -291 C +ATOM 347 CB BLEU A 57 -18.270 13.164 -9.812 0.20 14.24 C +ANISOU 347 CB BLEU A 57 1966 1703 1741 196 -57 -48 C +ATOM 348 CG ALEU A 57 -18.016 14.137 -8.621 0.80 14.32 C +ANISOU 348 CG ALEU A 57 1431 2086 1920 222 -246 -67 C +ATOM 349 CG BLEU A 57 -18.811 12.546 -8.530 0.20 13.28 C +ANISOU 349 CG BLEU A 57 2009 1306 1731 331 -128 17 C +ATOM 350 CD1ALEU A 57 -19.365 14.744 -8.217 0.80 16.63 C +ANISOU 350 CD1ALEU A 57 2066 1964 2289 578 250 -93 C +ATOM 351 CD1BLEU A 57 -17.685 12.314 -7.544 0.20 14.50 C +ANISOU 351 CD1BLEU A 57 2148 1524 1834 214 -274 26 C +ATOM 352 CD2ALEU A 57 -17.309 13.555 -7.407 0.80 19.69 C +ANISOU 352 CD2ALEU A 57 3185 2661 1635 391 -667 -112 C +ATOM 353 CD2BLEU A 57 -19.873 13.451 -7.923 0.20 12.64 C +ANISOU 353 CD2BLEU A 57 1739 1213 1850 278 -404 -92 C +ATOM 354 N GLY A 58 -17.881 11.195 -12.188 1.00 14.25 N +ANISOU 354 N GLY A 58 2266 1724 1421 390 -272 -38 N +ATOM 355 CA GLY A 58 -18.175 9.933 -12.879 1.00 15.10 C +ANISOU 355 CA GLY A 58 2042 2026 1668 226 -169 -245 C +ATOM 356 C GLY A 58 -16.906 9.176 -13.180 1.00 15.09 C +ANISOU 356 C GLY A 58 2244 1684 1805 327 -76 -64 C +ATOM 357 O GLY A 58 -16.863 7.962 -12.974 1.00 15.91 O +ANISOU 357 O GLY A 58 2495 1585 1964 415 -407 -203 O +ATOM 358 N GLN A 59 -15.856 9.885 -13.623 1.00 15.83 N +ANISOU 358 N GLN A 59 2242 1907 1865 391 -62 -56 N +ATOM 359 CA AGLN A 59 -14.567 9.246 -13.901 0.50 16.61 C +ANISOU 359 CA AGLN A 59 2078 2114 2118 276 22 175 C +ATOM 360 CA BGLN A 59 -14.541 9.277 -13.898 0.50 16.52 C +ANISOU 360 CA BGLN A 59 2074 2063 2140 265 -8 154 C +ATOM 361 C GLN A 59 -13.975 8.634 -12.629 1.00 16.89 C +ANISOU 361 C GLN A 59 2344 1956 2115 591 -58 -76 C +ATOM 362 O GLN A 59 -13.421 7.525 -12.653 1.00 17.86 O +ANISOU 362 O GLN A 59 2601 1885 2298 612 396 142 O +ATOM 363 CB AGLN A 59 -13.613 10.255 -14.540 0.50 22.46 C +ANISOU 363 CB AGLN A 59 2962 2877 2694 -112 623 422 C +ATOM 364 CB BGLN A 59 -13.555 10.336 -14.412 0.50 21.05 C +ANISOU 364 CB BGLN A 59 2646 2601 2749 -85 479 215 C +ATOM 365 CG AGLN A 59 -13.878 10.422 -16.025 0.50 27.61 C +ANISOU 365 CG AGLN A 59 3793 4098 2599 -358 861 -7 C +ATOM 366 CG BGLN A 59 -13.759 10.778 -15.854 0.50 25.33 C +ANISOU 366 CG BGLN A 59 3674 3139 2809 -125 146 -7 C +ATOM 367 CD AGLN A 59 -13.336 9.251 -16.816 0.50 33.08 C +ANISOU 367 CD AGLN A 59 4991 4549 3028 42 594 -633 C +ATOM 368 CD BGLN A 59 -12.461 11.274 -16.472 0.50 30.06 C +ANISOU 368 CD BGLN A 59 4121 3463 3838 -527 706 -262 C +ATOM 369 OE1AGLN A 59 -12.158 9.222 -17.163 0.50 39.26 O +ANISOU 369 OE1AGLN A 59 5124 5515 4276 235 781 -1721 O +ATOM 370 OE1BGLN A 59 -11.679 11.971 -15.820 0.50 35.52 O +ANISOU 370 OE1BGLN A 59 5006 4224 4265 -500 -331 -352 O +ATOM 371 NE2AGLN A 59 -14.189 8.274 -17.096 0.50 35.18 N +ANISOU 371 NE2AGLN A 59 4693 5743 2930 -347 886 -641 N +ATOM 372 NE2BGLN A 59 -12.219 10.908 -17.728 0.50 31.89 N +ANISOU 372 NE2BGLN A 59 4543 3794 3777 400 -1077 -1160 N +ATOM 373 N TYR A 60 -14.111 9.349 -11.517 1.00 16.08 N +ANISOU 373 N TYR A 60 2232 2124 1753 306 63 51 N +ATOM 374 CA TYR A 60 -13.626 8.859 -10.232 1.00 14.67 C +ANISOU 374 CA TYR A 60 1945 1832 1794 259 -207 -170 C +ATOM 375 C TYR A 60 -14.342 7.568 -9.804 1.00 16.46 C +ANISOU 375 C TYR A 60 1931 1926 2396 471 -272 136 C +ATOM 376 O TYR A 60 -13.697 6.572 -9.389 1.00 16.83 O +ANISOU 376 O TYR A 60 2274 2089 2031 587 -375 205 O +ATOM 377 CB TYR A 60 -13.809 9.966 -9.211 1.00 14.37 C +ANISOU 377 CB TYR A 60 2128 1362 1969 397 -482 -92 C +ATOM 378 CG TYR A 60 -13.387 9.609 -7.799 1.00 15.32 C +ANISOU 378 CG TYR A 60 1927 1769 2122 549 -480 183 C +ATOM 379 CD1 TYR A 60 -12.071 9.792 -7.383 1.00 15.79 C +ANISOU 379 CD1 TYR A 60 1841 1867 2290 430 -428 156 C +ATOM 380 CD2 TYR A 60 -14.314 9.102 -6.870 1.00 16.61 C +ANISOU 380 CD2 TYR A 60 2314 1742 2255 594 -310 266 C +ATOM 381 CE1 TYR A 60 -11.672 9.489 -6.075 1.00 16.07 C +ANISOU 381 CE1 TYR A 60 1954 1810 2339 154 -661 181 C +ATOM 382 CE2 TYR A 60 -13.924 8.789 -5.567 1.00 17.80 C +ANISOU 382 CE2 TYR A 60 2249 2078 2433 401 -767 172 C +ATOM 383 CZ TYR A 60 -12.595 8.982 -5.180 1.00 17.14 C +ANISOU 383 CZ TYR A 60 2164 1858 2491 151 -575 -16 C +ATOM 384 OH TYR A 60 -12.199 8.670 -3.896 1.00 19.94 O +ANISOU 384 OH TYR A 60 2251 2282 3040 28 -1042 260 O +ATOM 385 N ILE A 61 -15.674 7.569 -9.915 1.00 14.03 N +ANISOU 385 N ILE A 61 1777 1593 1957 175 -98 29 N +ATOM 386 CA ILE A 61 -16.456 6.356 -9.618 1.00 12.84 C +ANISOU 386 CA ILE A 61 1641 1440 1796 285 -317 9 C +ATOM 387 C ILE A 61 -16.059 5.165 -10.485 1.00 15.20 C +ANISOU 387 C ILE A 61 2313 1563 1899 405 -125 -11 C +ATOM 388 O ILE A 61 -15.937 4.027 -10.009 1.00 18.05 O +ANISOU 388 O ILE A 61 2814 1904 2137 800 -235 256 O +ATOM 389 CB ILE A 61 -17.969 6.691 -9.788 1.00 13.26 C +ANISOU 389 CB ILE A 61 1530 1412 2096 316 -242 -12 C +ATOM 390 CG1 ILE A 61 -18.430 7.590 -8.639 1.00 15.01 C +ANISOU 390 CG1 ILE A 61 2017 1437 2247 617 -196 29 C +ATOM 391 CG2 ILE A 61 -18.851 5.432 -9.960 1.00 14.62 C +ANISOU 391 CG2 ILE A 61 2056 1471 2028 90 -241 185 C +ATOM 392 CD1 ILE A 61 -19.742 8.318 -8.929 1.00 14.67 C +ANISOU 392 CD1 ILE A 61 1773 1715 2087 648 204 201 C +ATOM 393 N MET A 62 -15.818 5.407 -11.764 1.00 16.49 N +ANISOU 393 N MET A 62 2466 1834 1964 274 -33 -308 N +ATOM 394 CA MET A 62 -15.409 4.306 -12.649 1.00 16.93 C +ANISOU 394 CA MET A 62 2717 1896 1817 785 203 -91 C +ATOM 395 C MET A 62 -14.000 3.792 -12.353 1.00 19.20 C +ANISOU 395 C MET A 62 2879 1753 2664 928 101 -189 C +ATOM 396 O MET A 62 -13.768 2.577 -12.364 1.00 24.13 O +ANISOU 396 O MET A 62 3851 1797 3518 1257 -183 -228 O +ATOM 397 CB MET A 62 -15.533 4.726 -14.136 1.00 18.01 C +ANISOU 397 CB MET A 62 2898 2115 1828 955 -102 -109 C +ATOM 398 CG MET A 62 -16.932 5.133 -14.589 1.00 19.50 C +ANISOU 398 CG MET A 62 2893 1847 2666 363 -573 161 C +ATOM 399 SD MET A 62 -18.184 3.903 -14.223 1.00 22.09 S +ANISOU 399 SD MET A 62 3149 2313 2930 189 4 -46 S +ATOM 400 CE MET A 62 -17.679 2.577 -15.326 1.00 27.05 C +ANISOU 400 CE MET A 62 4079 2362 3835 -901 -616 -1322 C +ATOM 401 N THR A 63 -13.067 4.717 -12.093 1.00 20.09 N +ANISOU 401 N THR A 63 2461 2210 2961 791 117 29 N +ATOM 402 CA THR A 63 -11.663 4.405 -11.797 1.00 23.17 C +ANISOU 402 CA THR A 63 2864 2302 3635 1066 -275 453 C +ATOM 403 C THR A 63 -11.544 3.603 -10.508 1.00 23.62 C +ANISOU 403 C THR A 63 3217 2441 3313 1198 -106 278 C +ATOM 404 O THR A 63 -10.791 2.621 -10.455 1.00 27.28 O +ANISOU 404 O THR A 63 3342 2841 4181 1525 43 550 O +ATOM 405 CB THR A 63 -10.803 5.704 -11.716 1.00 25.07 C +ANISOU 405 CB THR A 63 2627 3021 3877 483 -254 360 C +ATOM 406 OG1 THR A 63 -10.809 6.342 -12.998 1.00 29.29 O +ANISOU 406 OG1 THR A 63 3226 3413 4489 -41 174 668 O +ATOM 407 CG2 THR A 63 -9.360 5.423 -11.332 1.00 32.50 C +ANISOU 407 CG2 THR A 63 2955 3674 5718 995 -330 758 C +ATOM 408 N LYS A 64 -12.298 3.998 -9.484 1.00 22.91 N +ANISOU 408 N LYS A 64 2718 2620 3365 632 33 397 N +ATOM 409 CA LYS A 64 -12.250 3.308 -8.193 1.00 22.69 C +ANISOU 409 CA LYS A 64 2380 2604 3634 919 -535 474 C +ATOM 410 C LYS A 64 -13.254 2.155 -8.085 1.00 24.11 C +ANISOU 410 C LYS A 64 3415 2239 3507 629 -428 161 C +ATOM 411 O LYS A 64 -13.351 1.489 -7.033 1.00 23.48 O +ANISOU 411 O LYS A 64 3096 2146 3677 853 -300 427 O +ATOM 412 CB LYS A 64 -12.454 4.288 -7.044 1.00 24.23 C +ANISOU 412 CB LYS A 64 2669 2629 3905 482 -786 213 C +ATOM 413 CG LYS A 64 -11.319 5.278 -6.906 1.00 27.70 C +ANISOU 413 CG LYS A 64 3098 3089 4336 -65 -391 22 C +ATOM 414 CD LYS A 64 -11.369 5.913 -5.546 1.00 30.06 C +ANISOU 414 CD LYS A 64 3760 3493 4168 452 -1117 -35 C +ATOM 415 CE LYS A 64 -10.432 5.268 -4.549 1.00 30.71 C +ANISOU 415 CE LYS A 64 2683 3977 5008 1332 -890 -508 C +ATOM 416 NZ LYS A 64 -10.377 6.203 -3.384 1.00 30.44 N +ANISOU 416 NZ LYS A 64 2493 3995 5078 520 -929 -638 N +ATOM 417 N ARG A 65 -13.981 1.919 -9.168 1.00 20.28 N +ANISOU 417 N ARG A 65 2992 1980 2733 848 94 -3 N +ATOM 418 CA ARG A 65 -14.936 0.795 -9.240 1.00 23.07 C +ANISOU 418 CA ARG A 65 3978 1821 2963 826 45 -149 C +ATOM 419 C ARG A 65 -15.971 0.846 -8.101 1.00 21.86 C +ANISOU 419 C ARG A 65 3539 1844 2921 1158 -206 184 C +ATOM 420 O ARG A 65 -16.259 -0.158 -7.454 1.00 22.60 O +ANISOU 420 O ARG A 65 3718 1970 2897 767 -105 90 O +ATOM 421 CB ARG A 65 -14.188 -0.565 -9.310 1.00 26.46 C +ANISOU 421 CB ARG A 65 3971 2171 3910 1174 384 149 C +ATOM 422 CG ARG A 65 -13.310 -0.709 -10.552 1.00 31.62 C +ANISOU 422 CG ARG A 65 4639 2847 4526 1238 772 -690 C +ATOM 423 CD ARG A 65 -13.025 -2.172 -10.861 0.50 34.39 C +ANISOU 423 CD ARG A 65 5260 3522 4284 2382 883 -1168 C +ATOM 424 NE ARG A 65 -11.811 -2.646 -10.210 0.50 48.05 N +ANISOU 424 NE ARG A 65 5670 5163 7422 1175 -1062 -782 N +ATOM 425 CZ ARG A 65 -11.370 -3.899 -10.287 0.50 52.27 C +ANISOU 425 CZ ARG A 65 7271 5508 7080 1789 -703 -1399 C +ATOM 426 NH1 ARG A 65 -12.053 -4.800 -10.981 0.50 53.80 N +ANISOU 426 NH1 ARG A 65 6732 4659 9047 723 -622 -362 N +ATOM 427 NH2 ARG A 65 -10.253 -4.252 -9.669 0.50 57.07 N +ANISOU 427 NH2 ARG A 65 7837 5859 7987 420 -2027 -733 N +ATOM 428 N LEU A 66 -16.568 2.026 -7.899 1.00 19.58 N +ANISOU 428 N LEU A 66 3316 1729 2393 859 -282 -39 N +ATOM 429 CA LEU A 66 -17.564 2.217 -6.852 1.00 15.96 C +ANISOU 429 CA LEU A 66 2596 1459 2009 525 -547 -341 C +ATOM 430 C LEU A 66 -18.941 1.808 -7.371 1.00 17.95 C +ANISOU 430 C LEU A 66 2784 2281 1754 543 -954 -39 C +ATOM 431 O LEU A 66 -19.939 1.920 -6.663 1.00 21.37 O +ANISOU 431 O LEU A 66 2939 2809 2369 -176 -674 -980 O +ATOM 432 CB LEU A 66 -17.580 3.691 -6.334 1.00 16.49 C +ANISOU 432 CB LEU A 66 2614 1161 2487 32 -766 25 C +ATOM 433 CG LEU A 66 -16.209 4.221 -5.858 1.00 16.00 C +ANISOU 433 CG LEU A 66 2440 1496 2141 214 -885 88 C +ATOM 434 CD1 LEU A 66 -16.339 5.660 -5.345 1.00 18.27 C +ANISOU 434 CD1 LEU A 66 2952 1914 2074 446 -479 -351 C +ATOM 435 CD2 LEU A 66 -15.674 3.276 -4.787 1.00 17.28 C +ANISOU 435 CD2 LEU A 66 2456 1631 2475 641 -914 72 C +ATOM 436 N TYR A 67 -18.996 1.400 -8.641 1.00 20.02 N +ANISOU 436 N TYR A 67 3142 2087 2375 659 -1008 -912 N +ATOM 437 CA TYR A 67 -20.209 0.799 -9.227 1.00 20.32 C +ANISOU 437 CA TYR A 67 3519 1937 2263 -104 -671 -478 C +ATOM 438 C TYR A 67 -20.465 -0.660 -8.739 1.00 21.05 C +ANISOU 438 C TYR A 67 3371 1913 2714 516 -686 -211 C +ATOM 439 O TYR A 67 -19.565 -1.302 -8.178 1.00 26.68 O +ANISOU 439 O TYR A 67 4605 2252 3279 1189 -1428 -832 O +ATOM 440 CB TYR A 67 -20.136 0.891 -10.757 1.00 20.67 C +ANISOU 440 CB TYR A 67 3548 1916 2390 663 -798 -199 C +ATOM 441 CG TYR A 67 -18.927 0.229 -11.390 1.00 22.02 C +ANISOU 441 CG TYR A 67 3598 2236 2531 794 -1081 -177 C +ATOM 442 CD1 TYR A 67 -18.889 -1.158 -11.571 1.00 22.55 C +ANISOU 442 CD1 TYR A 67 3062 2226 3279 1180 -1155 -750 C +ATOM 443 CD2 TYR A 67 -17.853 0.977 -11.841 1.00 24.01 C +ANISOU 443 CD2 TYR A 67 3562 2523 3037 730 -450 2 C +ATOM 444 CE1 TYR A 67 -17.804 -1.777 -12.158 1.00 26.76 C +ANISOU 444 CE1 TYR A 67 3576 3301 3290 631 -822 -1900 C +ATOM 445 CE2 TYR A 67 -16.749 0.355 -12.443 1.00 31.02 C +ANISOU 445 CE2 TYR A 67 4358 2974 4454 689 148 -719 C +ATOM 446 CZ TYR A 67 -16.744 -1.021 -12.604 1.00 26.64 C +ANISOU 446 CZ TYR A 67 3962 2826 3333 1129 -376 -471 C +ATOM 447 OH TYR A 67 -15.684 -1.695 -13.181 1.00 33.31 O +ANISOU 447 OH TYR A 67 4358 4941 3355 1515 -567 -968 O +ATOM 448 N ASP A 68 -21.681 -1.176 -8.977 1.00 23.68 N +ANISOU 448 N ASP A 68 4166 1926 2902 115 -975 -441 N +ATOM 449 CA ASP A 68 -22.049 -2.567 -8.656 1.00 26.24 C +ANISOU 449 CA ASP A 68 4985 2171 2813 -127 -609 -260 C +ATOM 450 C ASP A 68 -22.565 -3.220 -9.909 1.00 21.14 C +ANISOU 450 C ASP A 68 4024 1487 2519 487 -390 -315 C +ATOM 451 O ASP A 68 -23.507 -2.711 -10.473 1.00 23.87 O +ANISOU 451 O ASP A 68 3685 2105 3279 701 -648 -803 O +ATOM 452 CB ASP A 68 -23.194 -2.643 -7.624 1.00 27.35 C +ANISOU 452 CB ASP A 68 5136 2699 2556 612 -643 -34 C +ATOM 453 CG ASP A 68 -23.656 -4.095 -7.381 1.00 28.91 C +ANISOU 453 CG ASP A 68 4378 3680 2924 167 -172 1498 C +ATOM 454 OD1 ASP A 68 -22.810 -4.920 -6.969 0.50 29.10 O +ANISOU 454 OD1 ASP A 68 6490 2135 2429 1394 1085 1135 O +ATOM 455 OD2 ASP A 68 -24.843 -4.431 -7.596 0.50 31.73 O +ANISOU 455 OD2 ASP A 68 5345 2281 4428 -910 -1486 554 O +ATOM 456 N ALA A 69 -21.973 -4.334 -10.356 1.00 20.92 N +ANISOU 456 N ALA A 69 4309 1504 2136 325 -208 -234 N +ATOM 457 CA ALA A 69 -22.403 -4.944 -11.636 1.00 22.12 C +ANISOU 457 CA ALA A 69 4228 1638 2537 587 -232 -843 C +ATOM 458 C ALA A 69 -23.878 -5.384 -11.702 1.00 24.70 C +ANISOU 458 C ALA A 69 4382 2144 2858 600 -430 -374 C +ATOM 459 O ALA A 69 -24.543 -5.262 -12.775 1.00 29.92 O +ANISOU 459 O ALA A 69 5421 2941 3004 -389 -770 -462 O +ATOM 460 CB ALA A 69 -21.497 -6.123 -11.976 1.00 27.17 C +ANISOU 460 CB ALA A 69 4281 2370 3671 913 323 -1072 C +ATOM 461 N ALA A 70 -24.398 -5.900 -10.584 1.00 26.18 N +ANISOU 461 N ALA A 70 4615 1549 3783 77 737 -867 N +ATOM 462 CA ALA A 70 -25.763 -6.488 -10.600 1.00 23.96 C +ANISOU 462 CA ALA A 70 4699 2160 2245 -41 -730 -170 C +ATOM 463 C ALA A 70 -26.882 -5.450 -10.470 1.00 24.64 C +ANISOU 463 C ALA A 70 4618 2860 1883 226 -639 -169 C +ATOM 464 O ALA A 70 -27.924 -5.597 -11.104 1.00 31.81 O +ANISOU 464 O ALA A 70 5009 3496 3582 528 -977 -1001 O +ATOM 465 CB ALA A 70 -25.901 -7.587 -9.548 1.00 28.26 C +ANISOU 465 CB ALA A 70 4670 2837 3230 -57 241 504 C +ATOM 466 N GLN A 71 -26.648 -4.397 -9.679 1.00 27.52 N +ANISOU 466 N GLN A 71 5126 1746 3584 -307 1023 -144 N +ATOM 467 CA GLN A 71 -27.596 -3.313 -9.530 1.00 23.82 C +ANISOU 467 CA GLN A 71 3924 2035 3090 -391 -363 -180 C +ATOM 468 C GLN A 71 -26.814 -2.001 -9.779 1.00 21.82 C +ANISOU 468 C GLN A 71 4194 1619 2478 51 -312 293 C +ATOM 469 O GLN A 71 -26.339 -1.283 -8.854 1.00 21.85 O +ANISOU 469 O GLN A 71 3917 2424 1960 143 -185 272 O +ATOM 470 CB GLN A 71 -28.248 -3.349 -8.142 1.00 34.25 C +ANISOU 470 CB GLN A 71 5823 3563 3626 560 606 -461 C +ATOM 471 CG GLN A 71 -29.470 -2.440 -7.994 1.00 27.96 C +ANISOU 471 CG GLN A 71 4805 2594 3224 -446 593 -199 C +ATOM 472 CD GLN A 71 -30.317 -2.816 -6.787 1.00 36.46 C +ANISOU 472 CD GLN A 71 4884 5458 3509 -1300 -11 1338 C +ATOM 473 OE1 GLN A 71 -31.549 -2.749 -6.838 1.00 39.21 O +ANISOU 473 OE1 GLN A 71 4770 5783 4345 -292 -139 -29 O +ATOM 474 NE2 GLN A 71 -29.660 -3.206 -5.694 1.00 27.43 N +ANISOU 474 NE2 GLN A 71 3592 2979 3850 -892 -538 -149 N +ATOM 475 N GLN A 72 -26.679 -1.712 -11.064 1.00 18.12 N +ANISOU 475 N GLN A 72 3284 1375 2224 -29 -210 -122 N +ATOM 476 CA GLN A 72 -25.805 -0.675 -11.530 1.00 20.42 C +ANISOU 476 CA GLN A 72 4170 1572 2015 -461 -165 -435 C +ATOM 477 C GLN A 72 -26.204 0.718 -11.130 1.00 18.32 C +ANISOU 477 C GLN A 72 3137 1653 2168 -236 -474 -528 C +ATOM 478 O GLN A 72 -25.353 1.620 -11.166 1.00 18.89 O +ANISOU 478 O GLN A 72 3258 1789 2129 -378 -712 -220 O +ATOM 479 CB GLN A 72 -25.806 -0.725 -13.052 1.00 20.88 C +ANISOU 479 CB GLN A 72 3650 2365 1915 -214 -290 -757 C +ATOM 480 CG GLN A 72 -24.930 -1.823 -13.491 1.00 27.09 C +ANISOU 480 CG GLN A 72 4169 4069 2055 542 -238 -1078 C +ATOM 481 CD GLN A 72 -24.862 -1.876 -14.986 1.00 20.01 C +ANISOU 481 CD GLN A 72 2677 3060 1867 408 -744 -451 C +ATOM 482 OE1 GLN A 72 -24.706 -0.850 -15.682 1.00 18.80 O +ANISOU 482 OE1 GLN A 72 2202 2994 1945 683 -620 -561 O +ATOM 483 NE2 GLN A 72 -24.962 -3.062 -15.480 1.00 20.84 N +ANISOU 483 NE2 GLN A 72 2295 2931 2692 -263 -177 -371 N +ATOM 484 N HIS A 73 -27.467 0.898 -10.733 1.00 17.02 N +ANISOU 484 N HIS A 73 3161 1443 1862 -158 -859 -393 N +ATOM 485 CA HIS A 73 -27.967 2.238 -10.419 1.00 16.27 C +ANISOU 485 CA HIS A 73 2652 1468 2059 -46 -935 -206 C +ATOM 486 C HIS A 73 -27.558 2.762 -9.071 1.00 14.57 C +ANISOU 486 C HIS A 73 2313 1411 1811 -132 -746 82 C +ATOM 487 O HIS A 73 -27.869 3.912 -8.748 1.00 15.51 O +ANISOU 487 O HIS A 73 2853 1455 1583 -137 -796 3 O +ATOM 488 CB HIS A 73 -29.494 2.352 -10.637 1.00 20.23 C +ANISOU 488 CB HIS A 73 2566 2588 2532 -326 -986 -1 C +ATOM 489 CG HIS A 73 -30.325 1.984 -9.435 1.00 18.02 C +ANISOU 489 CG HIS A 73 2817 1764 2263 -623 -967 -586 C +ATOM 490 ND1 HIS A 73 -30.735 0.701 -9.187 1.00 22.87 N +ANISOU 490 ND1 HIS A 73 3261 2164 3264 -968 -239 -350 N +ATOM 491 CD2 HIS A 73 -30.843 2.773 -8.405 1.00 16.23 C +ANISOU 491 CD2 HIS A 73 2448 1822 1894 -349 -640 -13 C +ATOM 492 CE1 HIS A 73 -31.467 0.686 -8.050 1.00 25.89 C +ANISOU 492 CE1 HIS A 73 3474 2759 3602 -874 -102 -262 C +ATOM 493 NE2 HIS A 73 -31.521 1.954 -7.567 1.00 23.21 N +ANISOU 493 NE2 HIS A 73 3345 2201 3271 -821 -304 300 N +ATOM 494 N ILE A 74 -26.862 1.941 -8.274 1.00 13.68 N +ANISOU 494 N ILE A 74 2425 1315 1456 -85 -778 -49 N +ATOM 495 CA ILE A 74 -26.412 2.372 -6.920 1.00 13.35 C +ANISOU 495 CA ILE A 74 2553 941 1578 19 -726 -234 C +ATOM 496 C ILE A 74 -24.900 2.455 -6.887 1.00 14.64 C +ANISOU 496 C ILE A 74 2657 1338 1565 78 -613 -47 C +ATOM 497 O ILE A 74 -24.221 1.482 -7.265 1.00 16.13 O +ANISOU 497 O ILE A 74 2519 1609 1998 207 -519 -303 O +ATOM 498 CB ILE A 74 -26.932 1.435 -5.803 1.00 14.77 C +ANISOU 498 CB ILE A 74 2485 1520 1607 -93 -774 -118 C +ATOM 499 CG1 ILE A 74 -28.469 1.325 -5.878 1.00 17.92 C +ANISOU 499 CG1 ILE A 74 2570 1774 2464 -126 -164 131 C +ATOM 500 CG2 ILE A 74 -26.420 1.885 -4.443 1.00 14.95 C +ANISOU 500 CG2 ILE A 74 2842 1342 1494 132 -694 -74 C +ATOM 501 CD1 ILE A 74 -29.062 0.269 -4.976 1.00 24.06 C +ANISOU 501 CD1 ILE A 74 3516 2583 3040 -1192 -292 381 C +ATOM 502 N VAL A 75 -24.381 3.606 -6.462 1.00 14.11 N +ANISOU 502 N VAL A 75 2287 1496 1577 -138 -576 233 N +ATOM 503 CA VAL A 75 -22.950 3.793 -6.231 1.00 13.66 C +ANISOU 503 CA VAL A 75 2165 1437 1586 -30 -588 47 C +ATOM 504 C VAL A 75 -22.680 3.519 -4.756 1.00 13.20 C +ANISOU 504 C VAL A 75 2053 1251 1709 379 -561 -61 C +ATOM 505 O VAL A 75 -23.403 4.006 -3.892 1.00 15.17 O +ANISOU 505 O VAL A 75 2698 1562 1503 325 -443 -101 O +ATOM 506 CB VAL A 75 -22.533 5.239 -6.620 1.00 15.13 C +ANISOU 506 CB VAL A 75 2349 1846 1554 -417 -529 246 C +ATOM 507 CG1 VAL A 75 -21.123 5.558 -6.112 1.00 15.29 C +ANISOU 507 CG1 VAL A 75 2219 1739 1851 -234 -687 208 C +ATOM 508 CG2 VAL A 75 -22.655 5.435 -8.141 1.00 18.88 C +ANISOU 508 CG2 VAL A 75 2591 3076 1504 -163 -784 177 C +ATOM 509 N TYR A 76 -21.638 2.734 -4.494 1.00 11.99 N +ANISOU 509 N TYR A 76 2133 1031 1391 302 -983 69 N +ATOM 510 CA TYR A 76 -21.221 2.385 -3.156 1.00 11.81 C +ANISOU 510 CA TYR A 76 2292 972 1220 114 -825 -49 C +ATOM 511 C TYR A 76 -19.930 3.112 -2.789 1.00 14.91 C +ANISOU 511 C TYR A 76 2316 1416 1933 23 -613 -69 C +ATOM 512 O TYR A 76 -18.860 2.823 -3.347 1.00 18.23 O +ANISOU 512 O TYR A 76 2400 2319 2204 -18 -341 -452 O +ATOM 513 CB TYR A 76 -21.059 0.852 -3.093 1.00 15.72 C +ANISOU 513 CB TYR A 76 2802 979 2190 131 -865 130 C +ATOM 514 CG TYR A 76 -22.388 0.162 -3.225 1.00 16.34 C +ANISOU 514 CG TYR A 76 2921 1369 1919 77 -694 -161 C +ATOM 515 CD1 TYR A 76 -22.895 -0.212 -4.484 1.00 17.33 C +ANISOU 515 CD1 TYR A 76 2951 1246 2386 194 -1111 -334 C +ATOM 516 CD2 TYR A 76 -23.188 -0.039 -2.099 1.00 17.43 C +ANISOU 516 CD2 TYR A 76 2808 1571 2243 268 -586 253 C +ATOM 517 CE1 TYR A 76 -24.127 -0.820 -4.585 1.00 18.07 C +ANISOU 517 CE1 TYR A 76 2918 1221 2727 175 -491 -183 C +ATOM 518 CE2 TYR A 76 -24.432 -0.639 -2.198 1.00 18.56 C +ANISOU 518 CE2 TYR A 76 3010 1598 2443 100 -514 -270 C +ATOM 519 CZ TYR A 76 -24.912 -0.981 -3.440 1.00 17.70 C +ANISOU 519 CZ TYR A 76 3260 984 2478 -375 -675 -125 C +ATOM 520 OH TYR A 76 -26.158 -1.565 -3.537 1.00 20.37 O +ANISOU 520 OH TYR A 76 3070 1413 3255 -198 -1464 -368 O +ATOM 521 N CYS A 77 -20.028 4.040 -1.841 1.00 15.82 N +ANISOU 521 N CYS A 77 2615 1517 1878 -184 -714 -94 N +ATOM 522 CA CYS A 77 -18.931 4.955 -1.533 1.00 14.86 C +ANISOU 522 CA CYS A 77 2364 1342 1937 4 -575 -221 C +ATOM 523 C CYS A 77 -18.537 4.960 -0.053 1.00 16.39 C +ANISOU 523 C CYS A 77 2710 1456 2060 -54 -694 -73 C +ATOM 524 O CYS A 77 -17.921 5.914 0.414 1.00 18.38 O +ANISOU 524 O CYS A 77 2971 1266 2744 126 -1071 -304 O +ATOM 525 CB CYS A 77 -19.265 6.370 -2.027 1.00 15.87 C +ANISOU 525 CB CYS A 77 2293 1598 2138 -134 -694 167 C +ATOM 526 SG CYS A 77 -20.893 6.969 -1.532 1.00 16.49 S +ANISOU 526 SG CYS A 77 2678 1571 2014 -122 -466 93 S +ATOM 527 N SER A 78 -18.871 3.893 0.677 1.00 17.72 N +ANISOU 527 N SER A 78 3275 1428 2026 113 -673 16 N +ATOM 528 CA ASER A 78 -18.465 3.780 2.073 0.50 20.01 C +ANISOU 528 CA ASER A 78 3718 1592 2290 -310 -1099 228 C +ATOM 529 CA BSER A 78 -18.467 3.737 2.079 0.50 20.73 C +ANISOU 529 CA BSER A 78 3733 1783 2359 -345 -1170 341 C +ATOM 530 C SER A 78 -16.934 3.634 2.138 1.00 22.15 C +ANISOU 530 C SER A 78 3850 1847 2717 -20 -1014 278 C +ATOM 531 O SER A 78 -16.298 3.086 1.211 1.00 27.74 O +ANISOU 531 O SER A 78 3617 2681 4241 642 -574 245 O +ATOM 532 CB ASER A 78 -19.146 2.573 2.703 0.50 22.23 C +ANISOU 532 CB ASER A 78 4755 2262 1427 -763 -1300 520 C +ATOM 533 CB BSER A 78 -19.141 2.494 2.702 0.50 26.68 C +ANISOU 533 CB BSER A 78 4930 2324 2880 -976 -1477 787 C +ATOM 534 OG ASER A 78 -18.658 1.427 2.060 0.50 23.99 O +ANISOU 534 OG ASER A 78 3852 1605 3657 -672 -954 862 O +ATOM 535 OG BSER A 78 -19.215 2.576 4.123 0.50 29.11 O +ANISOU 535 OG BSER A 78 4423 3762 2872 -848 -1838 1860 O +ATOM 536 N ASN A 79 -16.324 4.145 3.198 1.00 24.79 N +ANISOU 536 N ASN A 79 4076 2690 2651 -445 -1348 1043 N +ATOM 537 CA ASN A 79 -14.856 4.069 3.314 1.00 26.09 C +ANISOU 537 CA ASN A 79 4008 2834 3069 127 -1118 626 C +ATOM 538 C ASN A 79 -14.099 4.685 2.136 1.00 27.24 C +ANISOU 538 C ASN A 79 4063 2723 3562 455 -1022 1190 C +ATOM 539 O ASN A 79 -13.000 4.238 1.774 1.00 28.62 O +ANISOU 539 O ASN A 79 4290 2735 3850 450 -681 1801 O +ATOM 540 CB ASN A 79 -14.418 2.617 3.499 1.00 29.79 C +ANISOU 540 CB ASN A 79 4166 3091 4059 152 -878 1557 C +ATOM 541 CG ASN A 79 -14.801 2.069 4.856 1.00 32.67 C +ANISOU 541 CG ASN A 79 4718 4131 3565 609 -640 1133 C +ATOM 542 OD1 ASN A 79 -14.939 0.869 5.023 1.00 38.45 O +ANISOU 542 OD1 ASN A 79 5561 4109 4939 328 372 670 O +ATOM 543 ND2 ASN A 79 -14.983 2.957 5.834 1.00 38.42 N +ANISOU 543 ND2 ASN A 79 6733 4376 3487 -1012 -863 682 N +ATOM 544 N ASP A 80 -14.712 5.690 1.519 1.00 22.58 N +ANISOU 544 N ASP A 80 3879 1766 2932 278 -562 692 N +ATOM 545 CA ASP A 80 -14.081 6.437 0.446 1.00 19.78 C +ANISOU 545 CA ASP A 80 2797 1937 2779 -53 -1014 688 C +ATOM 546 C ASP A 80 -14.285 7.924 0.710 1.00 19.05 C +ANISOU 546 C ASP A 80 2710 2127 2399 257 -917 508 C +ATOM 547 O ASP A 80 -15.301 8.324 1.308 1.00 18.93 O +ANISOU 547 O ASP A 80 2662 1808 2721 333 -996 533 O +ATOM 548 CB ASP A 80 -14.696 6.041 -0.896 1.00 20.37 C +ANISOU 548 CB ASP A 80 2918 2198 2623 -87 -528 212 C +ATOM 549 CG ASP A 80 -13.897 6.577 -2.080 1.00 21.34 C +ANISOU 549 CG ASP A 80 3104 2099 2904 260 -332 319 C +ATOM 550 OD1 ASP A 80 -13.058 5.828 -2.599 1.00 23.73 O +ANISOU 550 OD1 ASP A 80 2848 2586 3582 614 31 658 O +ATOM 551 OD2 ASP A 80 -14.088 7.747 -2.454 1.00 21.93 O +ANISOU 551 OD2 ASP A 80 3127 2293 2910 265 -783 654 O +ATOM 552 N LEU A 81 -13.326 8.746 0.289 1.00 19.99 N +ANISOU 552 N LEU A 81 2877 1754 2964 39 -1287 653 N +ATOM 553 CA LEU A 81 -13.499 10.214 0.393 1.00 20.55 C +ANISOU 553 CA LEU A 81 2669 1805 3332 -12 -1143 656 C +ATOM 554 C LEU A 81 -14.852 10.651 -0.139 1.00 17.26 C +ANISOU 554 C LEU A 81 2379 1957 2220 -50 -732 169 C +ATOM 555 O LEU A 81 -15.494 11.509 0.445 1.00 18.28 O +ANISOU 555 O LEU A 81 2154 1892 2898 148 -851 291 O +ATOM 556 CB LEU A 81 -12.389 10.975 -0.352 1.00 21.57 C +ANISOU 556 CB LEU A 81 1940 2095 4160 54 -722 472 C +ATOM 557 CG LEU A 81 -12.421 12.518 -0.302 1.00 24.33 C +ANISOU 557 CG LEU A 81 2770 2204 4268 389 -726 701 C +ATOM 558 CD1 LEU A 81 -12.406 13.031 1.119 1.00 26.74 C +ANISOU 558 CD1 LEU A 81 3220 2517 4420 -4 -1081 -305 C +ATOM 559 CD2 LEU A 81 -11.242 13.088 -1.055 1.00 28.45 C +ANISOU 559 CD2 LEU A 81 2151 3186 5472 342 -527 598 C +ATOM 560 N LEU A 82 -15.302 10.026 -1.223 1.00 14.83 N +ANISOU 560 N LEU A 82 1952 1383 2298 -4 -883 202 N +ATOM 561 CA LEU A 82 -16.596 10.436 -1.818 1.00 14.98 C +ANISOU 561 CA LEU A 82 2028 1492 2169 89 -873 192 C +ATOM 562 C LEU A 82 -17.738 10.280 -0.820 1.00 15.04 C +ANISOU 562 C LEU A 82 2382 1424 1906 70 -701 201 C +ATOM 563 O LEU A 82 -18.598 11.164 -0.707 1.00 15.06 O +ANISOU 563 O LEU A 82 2302 1543 1873 114 -865 -14 O +ATOM 564 CB LEU A 82 -16.912 9.658 -3.108 1.00 12.91 C +ANISOU 564 CB LEU A 82 1548 1646 1708 143 -626 284 C +ATOM 565 CG LEU A 82 -18.230 10.005 -3.793 1.00 13.76 C +ANISOU 565 CG LEU A 82 1851 1427 1949 354 -809 287 C +ATOM 566 CD1 LEU A 82 -18.331 11.492 -4.103 1.00 14.36 C +ANISOU 566 CD1 LEU A 82 2235 1473 1748 445 -233 475 C +ATOM 567 CD2 LEU A 82 -18.438 9.158 -5.033 1.00 18.48 C +ANISOU 567 CD2 LEU A 82 2735 2224 2060 272 -408 -223 C +ATOM 568 N GLY A 83 -17.770 9.150 -0.111 1.00 14.64 N +ANISOU 568 N GLY A 83 2376 1548 1636 -82 -812 260 N +ATOM 569 CA GLY A 83 -18.803 8.969 0.942 1.00 16.19 C +ANISOU 569 CA GLY A 83 2778 1321 2050 -75 -374 20 C +ATOM 570 C GLY A 83 -18.697 9.963 2.096 1.00 17.03 C +ANISOU 570 C GLY A 83 2719 1787 1965 -40 -733 -58 C +ATOM 571 O GLY A 83 -19.717 10.415 2.621 1.00 17.32 O +ANISOU 571 O GLY A 83 2939 1704 1935 10 -558 -123 O +ATOM 572 N ASP A 84 -17.483 10.345 2.481 1.00 15.65 N +ANISOU 572 N ASP A 84 2870 1354 1721 162 -1016 233 N +ATOM 573 CA ASP A 84 -17.344 11.371 3.537 1.00 17.85 C +ANISOU 573 CA ASP A 84 3044 1408 2328 -64 -1349 34 C +ATOM 574 C ASP A 84 -17.897 12.720 3.055 1.00 17.36 C +ANISOU 574 C ASP A 84 2853 1786 1955 284 -761 277 C +ATOM 575 O ASP A 84 -18.555 13.442 3.812 1.00 19.45 O +ANISOU 575 O ASP A 84 3341 1998 2050 232 -749 -203 O +ATOM 576 CB ASP A 84 -15.879 11.530 3.981 1.00 20.71 C +ANISOU 576 CB ASP A 84 2882 1917 3070 -40 -1501 435 C +ATOM 577 CG ASP A 84 -15.271 10.247 4.563 1.00 26.17 C +ANISOU 577 CG ASP A 84 3766 2151 4026 330 -1305 686 C +ATOM 578 OD1 ASP A 84 -16.004 9.340 5.039 0.50 23.74 O +ANISOU 578 OD1 ASP A 84 4590 1929 2501 -178 -2106 767 O +ATOM 579 OD2 ASP A 84 -14.029 10.172 4.541 0.50 28.13 O +ANISOU 579 OD2 ASP A 84 3394 2062 5229 127 -3050 144 O +ATOM 580 N LEU A 85 -17.641 13.056 1.793 1.00 15.39 N +ANISOU 580 N LEU A 85 2415 1613 1817 73 -1139 454 N +ATOM 581 CA LEU A 85 -18.120 14.344 1.226 1.00 15.37 C +ANISOU 581 CA LEU A 85 2465 1356 2016 2 -680 364 C +ATOM 582 C LEU A 85 -19.637 14.381 1.005 1.00 15.74 C +ANISOU 582 C LEU A 85 2474 1493 2014 -23 -560 -133 C +ATOM 583 O LEU A 85 -20.271 15.391 1.230 1.00 14.88 O +ANISOU 583 O LEU A 85 2367 1315 1970 -146 -485 154 O +ATOM 584 CB LEU A 85 -17.406 14.633 -0.082 1.00 16.72 C +ANISOU 584 CB LEU A 85 2113 1782 2457 -16 -568 552 C +ATOM 585 CG LEU A 85 -15.884 14.826 0.086 1.00 18.12 C +ANISOU 585 CG LEU A 85 2085 2388 2410 -203 -650 219 C +ATOM 586 CD1 LEU A 85 -15.345 15.247 -1.271 1.00 20.19 C +ANISOU 586 CD1 LEU A 85 2474 2542 2655 674 -132 696 C +ATOM 587 CD2 LEU A 85 -15.455 15.834 1.171 1.00 20.90 C +ANISOU 587 CD2 LEU A 85 2754 2546 2640 -17 -931 88 C +ATOM 588 N PHE A 86 -20.204 13.273 0.509 1.00 14.45 N +ANISOU 588 N PHE A 86 2324 1302 1863 -84 -796 194 N +ATOM 589 CA PHE A 86 -21.632 13.176 0.282 1.00 15.31 C +ANISOU 589 CA PHE A 86 2453 1672 1688 -375 -556 55 C +ATOM 590 C PHE A 86 -22.423 12.845 1.561 1.00 17.39 C +ANISOU 590 C PHE A 86 2927 1893 1784 -457 -517 255 C +ATOM 591 O PHE A 86 -23.637 13.079 1.611 1.00 17.93 O +ANISOU 591 O PHE A 86 3063 2006 1743 190 -208 -238 O +ATOM 592 CB PHE A 86 -21.905 12.136 -0.789 1.00 14.38 C +ANISOU 592 CB PHE A 86 2206 1837 1417 -80 -689 7 C +ATOM 593 CG PHE A 86 -21.776 12.655 -2.217 1.00 13.84 C +ANISOU 593 CG PHE A 86 2211 1490 1558 240 -648 184 C +ATOM 594 CD1 PHE A 86 -21.137 13.866 -2.510 1.00 16.23 C +ANISOU 594 CD1 PHE A 86 2431 1752 1982 264 -395 497 C +ATOM 595 CD2 PHE A 86 -22.303 11.916 -3.270 1.00 15.03 C +ANISOU 595 CD2 PHE A 86 2236 1706 1768 85 -504 -98 C +ATOM 596 CE1 PHE A 86 -21.052 14.340 -3.829 1.00 13.83 C +ANISOU 596 CE1 PHE A 86 1983 1666 1603 302 -315 60 C +ATOM 597 CE2 PHE A 86 -22.209 12.372 -4.581 1.00 14.97 C +ANISOU 597 CE2 PHE A 86 2168 1552 1968 1 -381 156 C +ATOM 598 CZ PHE A 86 -21.582 13.588 -4.865 1.00 14.18 C +ANISOU 598 CZ PHE A 86 2064 1475 1848 74 -244 39 C +ATOM 599 N GLY A 87 -21.735 12.308 2.579 1.00 16.12 N +ANISOU 599 N GLY A 87 3097 1459 1566 -84 -581 -232 N +ATOM 600 CA GLY A 87 -22.375 12.011 3.861 1.00 17.82 C +ANISOU 600 CA GLY A 87 3235 1528 2007 -235 -320 -151 C +ATOM 601 C GLY A 87 -23.225 10.765 3.843 1.00 18.28 C +ANISOU 601 C GLY A 87 3323 1583 2037 -287 -48 -247 C +ATOM 602 O GLY A 87 -24.099 10.608 4.714 1.00 20.48 O +ANISOU 602 O GLY A 87 3571 2216 1993 -467 52 -412 O +ATOM 603 N VAL A 88 -22.968 9.885 2.863 1.00 15.30 N +ANISOU 603 N VAL A 88 2845 1381 1584 -508 -353 -116 N +ATOM 604 CA VAL A 88 -23.773 8.627 2.687 1.00 13.90 C +ANISOU 604 CA VAL A 88 2806 1051 1423 -227 -520 -207 C +ATOM 605 C VAL A 88 -22.862 7.467 2.278 1.00 14.17 C +ANISOU 605 C VAL A 88 2904 1236 1242 76 -353 275 C +ATOM 606 O VAL A 88 -21.812 7.707 1.661 1.00 17.48 O +ANISOU 606 O VAL A 88 2916 1515 2207 -267 -316 -74 O +ATOM 607 CB VAL A 88 -24.909 8.766 1.611 1.00 15.42 C +ANISOU 607 CB VAL A 88 2593 1790 1473 24 -374 66 C +ATOM 608 CG1 VAL A 88 -25.978 9.778 2.033 1.00 20.38 C +ANISOU 608 CG1 VAL A 88 3263 1990 2489 142 -292 -736 C +ATOM 609 CG2 VAL A 88 -24.345 9.158 0.245 1.00 18.44 C +ANISOU 609 CG2 VAL A 88 3145 1911 1950 -407 -4 438 C +ATOM 610 N PRO A 89 -23.236 6.209 2.615 1.00 15.13 N +ANISOU 610 N PRO A 89 2791 1389 1566 -267 -265 -2 N +ATOM 611 CA PRO A 89 -22.436 5.043 2.184 1.00 15.49 C +ANISOU 611 CA PRO A 89 2935 1210 1740 -321 -460 -21 C +ATOM 612 C PRO A 89 -22.804 4.568 0.779 1.00 15.11 C +ANISOU 612 C PRO A 89 2787 1368 1583 12 -580 194 C +ATOM 613 O PRO A 89 -22.081 3.756 0.195 1.00 16.75 O +ANISOU 613 O PRO A 89 2676 1715 1972 -217 -470 190 O +ATOM 614 CB PRO A 89 -22.800 3.975 3.215 1.00 18.14 C +ANISOU 614 CB PRO A 89 3443 1309 2140 -158 -415 237 C +ATOM 615 CG PRO A 89 -24.224 4.327 3.571 1.00 17.94 C +ANISOU 615 CG PRO A 89 3368 1292 2155 -224 33 226 C +ATOM 616 CD PRO A 89 -24.244 5.838 3.626 1.00 17.86 C +ANISOU 616 CD PRO A 89 3362 1327 2095 -621 35 189 C +ATOM 617 N SER A 90 -23.917 5.073 0.241 1.00 14.72 N +ANISOU 617 N SER A 90 2649 1480 1463 -101 -656 -55 N +ATOM 618 CA SER A 90 -24.379 4.691 -1.109 1.00 13.69 C +ANISOU 618 CA SER A 90 2678 1181 1339 -178 -790 307 C +ATOM 619 C SER A 90 -25.396 5.712 -1.570 1.00 14.31 C +ANISOU 619 C SER A 90 2429 1386 1621 -68 -367 275 C +ATOM 620 O SER A 90 -25.974 6.422 -0.746 1.00 16.30 O +ANISOU 620 O SER A 90 2893 1604 1695 -14 -511 -149 O +ATOM 621 CB SER A 90 -25.051 3.287 -1.118 1.00 15.82 C +ANISOU 621 CB SER A 90 2822 1178 2009 -107 -353 251 C +ATOM 622 OG SER A 90 -26.282 3.288 -0.361 1.00 18.72 O +ANISOU 622 OG SER A 90 2880 1657 2574 -334 -486 276 O +ATOM 623 N PHE A 91 -25.619 5.782 -2.883 1.00 14.24 N +ANISOU 623 N PHE A 91 2462 1218 1731 81 -574 329 N +ATOM 624 CA PHE A 91 -26.649 6.671 -3.406 1.00 13.29 C +ANISOU 624 CA PHE A 91 2160 1326 1563 61 -578 116 C +ATOM 625 C PHE A 91 -27.108 6.195 -4.758 1.00 13.41 C +ANISOU 625 C PHE A 91 2030 1408 1657 -41 -401 -159 C +ATOM 626 O PHE A 91 -26.366 5.498 -5.494 1.00 13.72 O +ANISOU 626 O PHE A 91 2062 1199 1951 164 -337 -171 O +ATOM 627 CB PHE A 91 -26.201 8.166 -3.479 1.00 13.47 C +ANISOU 627 CB PHE A 91 2288 1277 1551 90 -389 -190 C +ATOM 628 CG PHE A 91 -25.031 8.432 -4.388 1.00 13.00 C +ANISOU 628 CG PHE A 91 2279 1167 1490 61 -431 161 C +ATOM 629 CD1 PHE A 91 -25.219 8.774 -5.754 1.00 13.71 C +ANISOU 629 CD1 PHE A 91 2702 1164 1343 187 -335 -169 C +ATOM 630 CD2 PHE A 91 -23.720 8.328 -3.900 1.00 15.66 C +ANISOU 630 CD2 PHE A 91 2300 1445 2203 216 -429 9 C +ATOM 631 CE1 PHE A 91 -24.124 9.017 -6.574 1.00 14.41 C +ANISOU 631 CE1 PHE A 91 2175 1372 1928 367 -447 -302 C +ATOM 632 CE2 PHE A 91 -22.625 8.605 -4.717 1.00 14.94 C +ANISOU 632 CE2 PHE A 91 2226 1470 1977 81 -343 -155 C +ATOM 633 CZ PHE A 91 -22.827 8.944 -6.062 1.00 15.42 C +ANISOU 633 CZ PHE A 91 2309 1518 2031 188 -581 -216 C +ATOM 634 N SER A 92 -28.341 6.552 -5.091 1.00 13.72 N +ANISOU 634 N SER A 92 2075 1454 1684 292 -341 -150 N +ATOM 635 CA SER A 92 -28.888 6.206 -6.420 1.00 15.10 C +ANISOU 635 CA SER A 92 2279 1638 1820 -69 -651 78 C +ATOM 636 C SER A 92 -28.495 7.225 -7.498 1.00 15.76 C +ANISOU 636 C SER A 92 2373 1744 1871 142 -177 -71 C +ATOM 637 O SER A 92 -28.685 8.445 -7.323 1.00 15.61 O +ANISOU 637 O SER A 92 2362 1731 1836 15 -288 -226 O +ATOM 638 CB SER A 92 -30.411 6.121 -6.352 1.00 18.24 C +ANISOU 638 CB SER A 92 2181 2475 2274 -122 -675 140 C +ATOM 639 OG SER A 92 -30.934 6.040 -7.673 1.00 17.75 O +ANISOU 639 OG SER A 92 2749 1732 2263 -418 -724 25 O +ATOM 640 N VAL A 93 -27.988 6.728 -8.624 1.00 13.61 N +ANISOU 640 N VAL A 93 2035 1668 1468 -64 -553 -44 N +ATOM 641 CA VAL A 93 -27.641 7.599 -9.764 1.00 13.38 C +ANISOU 641 CA VAL A 93 2108 1333 1641 -13 -528 -61 C +ATOM 642 C VAL A 93 -28.853 8.228 -10.450 1.00 14.84 C +ANISOU 642 C VAL A 93 2291 1463 1884 132 -586 -170 C +ATOM 643 O VAL A 93 -28.687 9.187 -11.224 1.00 17.10 O +ANISOU 643 O VAL A 93 2539 1854 2103 298 -449 126 O +ATOM 644 CB VAL A 93 -26.827 6.821 -10.839 1.00 13.45 C +ANISOU 644 CB VAL A 93 1719 1621 1771 -7 -598 -208 C +ATOM 645 CG1 VAL A 93 -25.540 6.232 -10.223 1.00 17.67 C +ANISOU 645 CG1 VAL A 93 2456 2346 1909 425 -852 231 C +ATOM 646 CG2 VAL A 93 -27.711 5.761 -11.552 1.00 14.97 C +ANISOU 646 CG2 VAL A 93 2338 1503 1848 -73 -681 -319 C +ATOM 647 N LYS A 94 -30.056 7.701 -10.171 1.00 15.50 N +ANISOU 647 N LYS A 94 2090 1574 2226 184 -730 -248 N +ATOM 648 CA LYS A 94 -31.319 8.179 -10.783 1.00 16.46 C +ANISOU 648 CA LYS A 94 2006 1811 2436 293 -583 -63 C +ATOM 649 C LYS A 94 -31.775 9.537 -10.262 1.00 17.56 C +ANISOU 649 C LYS A 94 2446 1838 2385 137 -792 -282 C +ATOM 650 O LYS A 94 -32.550 10.236 -10.931 1.00 20.59 O +ANISOU 650 O LYS A 94 2455 2138 3226 248 -705 155 O +ATOM 651 CB LYS A 94 -32.454 7.152 -10.604 1.00 21.65 C +ANISOU 651 CB LYS A 94 2619 2033 3571 -179 -1220 -285 C +ATOM 652 CG LYS A 94 -32.159 5.748 -11.130 1.00 29.65 C +ANISOU 652 CG LYS A 94 3444 2469 5351 507 -1902 -976 C +ATOM 653 CD LYS A 94 -33.346 4.808 -10.913 1.00 41.63 C +ANISOU 653 CD LYS A 94 4693 3981 7144 -716 -2529 -1126 C +ATOM 654 CE LYS A 94 -33.164 3.456 -11.602 1.00 43.68 C +ANISOU 654 CE LYS A 94 5783 4069 6741 1662 -3316 -799 C +ATOM 655 NZ LYS A 94 -33.112 3.547 -13.097 0.50 46.50 N +ANISOU 655 NZ LYS A 94 8149 2909 6608 4006 -5758 -1762 N +ATOM 656 N GLU A 95 -31.274 9.896 -9.083 1.00 15.63 N +ANISOU 656 N GLU A 95 2317 1496 2124 118 -379 -73 N +ATOM 657 CA AGLU A 95 -31.741 11.049 -8.316 0.50 16.75 C +ANISOU 657 CA AGLU A 95 2505 1552 2305 -124 90 -91 C +ATOM 658 CA BGLU A 95 -31.772 11.063 -8.359 0.50 17.30 C +ANISOU 658 CA BGLU A 95 2613 1542 2416 -159 135 -148 C +ATOM 659 C GLU A 95 -30.867 12.271 -8.600 1.00 14.34 C +ANISOU 659 C GLU A 95 1978 1476 1994 32 -375 203 C +ATOM 660 O GLU A 95 -30.044 12.669 -7.742 1.00 15.58 O +ANISOU 660 O GLU A 95 2422 1455 2042 -27 -224 -43 O +ATOM 661 CB AGLU A 95 -31.679 10.704 -6.820 0.50 18.93 C +ANISOU 661 CB AGLU A 95 2681 2065 2443 -689 49 281 C +ATOM 662 CB BGLU A 95 -31.912 10.725 -6.872 0.50 21.65 C +ANISOU 662 CB BGLU A 95 3156 2472 2596 -748 90 289 C +ATOM 663 CG AGLU A 95 -32.551 9.525 -6.402 0.50 20.54 C +ANISOU 663 CG AGLU A 95 2690 1665 3447 -401 -117 535 C +ATOM 664 CG BGLU A 95 -32.982 9.672 -6.594 0.50 26.24 C +ANISOU 664 CG BGLU A 95 3659 2174 4133 -932 21 5 C +ATOM 665 CD AGLU A 95 -34.030 9.835 -6.513 0.50 23.57 C +ANISOU 665 CD AGLU A 95 2538 2288 4127 -513 -10 143 C +ATOM 666 CD BGLU A 95 -33.057 9.296 -5.134 0.50 33.65 C +ANISOU 666 CD BGLU A 95 4974 3586 4224 -451 541 230 C +ATOM 667 OE1AGLU A 95 -34.408 11.037 -6.440 0.50 22.49 O +ANISOU 667 OE1AGLU A 95 2547 2223 3775 -427 23 876 O +ATOM 668 OE1BGLU A 95 -32.018 8.877 -4.586 0.50 42.34 O +ANISOU 668 OE1BGLU A 95 5693 5458 4933 1057 630 -263 O +ATOM 669 OE2AGLU A 95 -34.809 8.869 -6.672 0.50 23.79 O +ANISOU 669 OE2AGLU A 95 2137 2822 4080 -611 -111 28 O +ATOM 670 OE2BGLU A 95 -34.149 9.412 -4.536 0.50 40.91 O +ANISOU 670 OE2BGLU A 95 4954 3966 6624 284 882 -372 O +ATOM 671 N HIS A 96 -31.012 12.866 -9.800 1.00 12.99 N +ANISOU 671 N HIS A 96 1944 1216 1776 -169 -455 -142 N +ATOM 672 CA HIS A 96 -30.008 13.901 -10.209 1.00 12.81 C +ANISOU 672 CA HIS A 96 1949 1339 1578 -167 -195 -144 C +ATOM 673 C HIS A 96 -30.061 15.120 -9.321 1.00 11.11 C +ANISOU 673 C HIS A 96 1461 1218 1539 73 -207 -129 C +ATOM 674 O HIS A 96 -29.016 15.677 -8.971 1.00 12.01 O +ANISOU 674 O HIS A 96 1573 1380 1610 99 -464 -22 O +ATOM 675 CB HIS A 96 -30.121 14.310 -11.671 1.00 13.32 C +ANISOU 675 CB HIS A 96 2037 1436 1587 250 -575 -213 C +ATOM 676 CG HIS A 96 -29.731 13.202 -12.638 1.00 14.10 C +ANISOU 676 CG HIS A 96 1986 1638 1731 173 -533 -408 C +ATOM 677 ND1 HIS A 96 -29.542 13.419 -13.958 1.00 16.74 N +ANISOU 677 ND1 HIS A 96 2584 1954 1819 -397 -406 -553 N +ATOM 678 CD2 HIS A 96 -29.536 11.830 -12.438 1.00 14.00 C +ANISOU 678 CD2 HIS A 96 1636 1755 1927 191 -263 -248 C +ATOM 679 CE1 HIS A 96 -29.193 12.267 -14.561 1.00 17.49 C +ANISOU 679 CE1 HIS A 96 2819 1908 1918 101 -382 -256 C +ATOM 680 NE2 HIS A 96 -29.221 11.290 -13.652 1.00 15.45 N +ANISOU 680 NE2 HIS A 96 2214 1893 1761 271 -326 -226 N +ATOM 681 N ARG A 97 -31.261 15.560 -8.956 1.00 13.02 N +ANISOU 681 N ARG A 97 1725 1562 1659 367 -130 -152 N +ATOM 682 CA ARG A 97 -31.385 16.729 -8.041 1.00 12.43 C +ANISOU 682 CA ARG A 97 1566 1492 1663 209 -170 -158 C +ATOM 683 C ARG A 97 -30.725 16.433 -6.696 1.00 12.92 C +ANISOU 683 C ARG A 97 1853 1360 1696 -113 -246 15 C +ATOM 684 O ARG A 97 -29.995 17.282 -6.168 1.00 12.18 O +ANISOU 684 O ARG A 97 1735 1477 1415 47 -378 -184 O +ATOM 685 CB ARG A 97 -32.877 17.076 -7.813 1.00 14.36 C +ANISOU 685 CB ARG A 97 1463 1928 2063 263 -356 -178 C +ATOM 686 CG ARG A 97 -33.137 18.191 -6.765 1.00 14.24 C +ANISOU 686 CG ARG A 97 1602 1488 2319 102 -325 -134 C +ATOM 687 CD ARG A 97 -32.365 19.475 -7.075 1.00 12.16 C +ANISOU 687 CD ARG A 97 1428 1652 1539 100 -329 53 C +ATOM 688 NE ARG A 97 -32.680 20.055 -8.407 1.00 13.38 N +ANISOU 688 NE ARG A 97 1701 1701 1682 616 -194 285 N +ATOM 689 CZ ARG A 97 -31.875 20.930 -9.034 1.00 13.14 C +ANISOU 689 CZ ARG A 97 1811 1617 1562 177 -508 208 C +ATOM 690 NH1 ARG A 97 -30.711 21.281 -8.469 1.00 12.52 N +ANISOU 690 NH1 ARG A 97 1785 1567 1403 375 -341 -83 N +ATOM 691 NH2 ARG A 97 -32.226 21.456 -10.233 1.00 13.85 N +ANISOU 691 NH2 ARG A 97 1872 1817 1571 718 -573 110 N +ATOM 692 N LYS A 98 -30.936 15.234 -6.134 1.00 12.60 N +ANISOU 692 N LYS A 98 1768 1328 1688 186 -202 187 N +ATOM 693 CA LYS A 98 -30.284 14.914 -4.844 1.00 13.65 C +ANISOU 693 CA LYS A 98 1780 1492 1911 -85 -424 263 C +ATOM 694 C LYS A 98 -28.748 14.880 -4.971 1.00 12.56 C +ANISOU 694 C LYS A 98 1782 1439 1551 197 -339 -32 C +ATOM 695 O LYS A 98 -28.057 15.344 -4.051 1.00 12.49 O +ANISOU 695 O LYS A 98 1725 1299 1719 242 -483 19 O +ATOM 696 CB LYS A 98 -30.800 13.586 -4.263 1.00 13.77 C +ANISOU 696 CB LYS A 98 1938 1482 1811 -143 18 183 C +ATOM 697 CG LYS A 98 -32.297 13.599 -3.974 1.00 22.24 C +ANISOU 697 CG LYS A 98 2016 2794 3638 -288 308 700 C +ATOM 698 CD LYS A 98 -32.729 12.361 -3.208 1.00 27.95 C +ANISOU 698 CD LYS A 98 3463 3310 3846 -1173 505 594 C +ATOM 699 CE LYS A 98 -34.229 12.395 -2.958 1.00 35.22 C +ANISOU 699 CE LYS A 98 3364 4637 5379 -1170 329 931 C +ATOM 700 NZ LYS A 98 -34.598 11.331 -1.991 1.00 40.82 N +ANISOU 700 NZ LYS A 98 5389 4813 5308 -858 1179 779 N +ATOM 701 N ILE A 99 -28.233 14.383 -6.102 1.00 10.87 N +ANISOU 701 N ILE A 99 1322 1278 1529 -7 -442 101 N +ATOM 702 CA ILE A 99 -26.770 14.405 -6.357 1.00 11.63 C +ANISOU 702 CA ILE A 99 1552 1104 1762 121 -122 -176 C +ATOM 703 C ILE A 99 -26.265 15.863 -6.464 1.00 10.82 C +ANISOU 703 C ILE A 99 1680 1150 1280 16 -491 -47 C +ATOM 704 O ILE A 99 -25.270 16.225 -5.824 1.00 11.75 O +ANISOU 704 O ILE A 99 1672 1324 1467 139 -506 -187 O +ATOM 705 CB ILE A 99 -26.407 13.559 -7.583 1.00 10.21 C +ANISOU 705 CB ILE A 99 1495 1198 1183 -41 -205 121 C +ATOM 706 CG1 ILE A 99 -26.681 12.091 -7.246 1.00 12.89 C +ANISOU 706 CG1 ILE A 99 2277 1069 1549 -255 -557 -170 C +ATOM 707 CG2 ILE A 99 -24.939 13.735 -7.949 1.00 11.84 C +ANISOU 707 CG2 ILE A 99 1384 1503 1609 280 -87 -149 C +ATOM 708 CD1 ILE A 99 -26.735 11.187 -8.470 1.00 14.00 C +ANISOU 708 CD1 ILE A 99 2231 1465 1622 -8 -587 -460 C +ATOM 709 N TYR A 100 -26.975 16.704 -7.226 1.00 10.74 N +ANISOU 709 N TYR A 100 1620 1097 1362 199 -230 -34 N +ATOM 710 CA TYR A 100 -26.627 18.128 -7.274 1.00 11.24 C +ANISOU 710 CA TYR A 100 1988 1077 1205 221 -426 -79 C +ATOM 711 C TYR A 100 -26.568 18.741 -5.867 1.00 11.66 C +ANISOU 711 C TYR A 100 1890 1342 1197 0 -191 -98 C +ATOM 712 O TYR A 100 -25.600 19.438 -5.540 1.00 11.05 O +ANISOU 712 O TYR A 100 1724 1159 1314 257 -364 -167 O +ATOM 713 CB TYR A 100 -27.555 18.926 -8.205 1.00 11.25 C +ANISOU 713 CB TYR A 100 1922 1366 985 225 -367 2 C +ATOM 714 CG TYR A 100 -26.993 19.039 -9.635 1.00 10.03 C +ANISOU 714 CG TYR A 100 1804 952 1051 180 -269 -150 C +ATOM 715 CD1 TYR A 100 -26.669 17.902 -10.412 1.00 13.19 C +ANISOU 715 CD1 TYR A 100 2025 1373 1613 381 -332 -539 C +ATOM 716 CD2 TYR A 100 -26.705 20.282 -10.166 1.00 10.97 C +ANISOU 716 CD2 TYR A 100 1576 1304 1289 74 -318 325 C +ATOM 717 CE1 TYR A 100 -26.107 18.047 -11.666 1.00 14.65 C +ANISOU 717 CE1 TYR A 100 2118 1783 1663 48 -366 -140 C +ATOM 718 CE2 TYR A 100 -26.170 20.435 -11.441 1.00 12.00 C +ANISOU 718 CE2 TYR A 100 1941 1498 1119 63 -376 -132 C +ATOM 719 CZ TYR A 100 -25.853 19.324 -12.180 1.00 13.25 C +ANISOU 719 CZ TYR A 100 2001 1648 1386 273 -503 -262 C +ATOM 720 OH TYR A 100 -25.255 19.475 -13.424 1.00 15.32 O +ANISOU 720 OH TYR A 100 2474 1877 1468 324 -371 78 O +ATOM 721 N THR A 101 -27.567 18.451 -5.030 1.00 11.08 N +ANISOU 721 N THR A 101 1797 1264 1146 276 -155 -27 N +ATOM 722 CA THR A 101 -27.568 18.979 -3.652 1.00 10.90 C +ANISOU 722 CA THR A 101 1805 1249 1086 229 -103 64 C +ATOM 723 C THR A 101 -26.322 18.537 -2.875 1.00 12.15 C +ANISOU 723 C THR A 101 1900 1294 1420 149 -311 -81 C +ATOM 724 O THR A 101 -25.711 19.335 -2.162 1.00 13.34 O +ANISOU 724 O THR A 101 2107 1331 1628 146 -293 -277 O +ATOM 725 CB THR A 101 -28.871 18.546 -2.945 1.00 12.01 C +ANISOU 725 CB THR A 101 1694 1718 1149 326 -94 181 C +ATOM 726 OG1 THR A 101 -29.973 19.143 -3.646 1.00 13.24 O +ANISOU 726 OG1 THR A 101 1901 1385 1742 414 -203 278 O +ATOM 727 CG2 THR A 101 -28.903 18.970 -1.476 1.00 14.48 C +ANISOU 727 CG2 THR A 101 2477 1648 1375 -86 59 -159 C +ATOM 728 N MET A 102 -25.969 17.257 -2.977 1.00 12.60 N +ANISOU 728 N MET A 102 2050 1425 1312 476 -418 -149 N +ATOM 729 CA MET A 102 -24.766 16.754 -2.284 1.00 11.35 C +ANISOU 729 CA MET A 102 1770 1005 1536 270 -344 -66 C +ATOM 730 C MET A 102 -23.497 17.455 -2.801 1.00 11.91 C +ANISOU 730 C MET A 102 1966 1202 1355 83 -430 56 C +ATOM 731 O MET A 102 -22.582 17.740 -2.011 1.00 13.57 O +ANISOU 731 O MET A 102 2001 1425 1729 -100 -536 -16 O +ATOM 732 CB MET A 102 -24.666 15.220 -2.423 1.00 11.63 C +ANISOU 732 CB MET A 102 1911 931 1575 86 -366 264 C +ATOM 733 CG MET A 102 -25.748 14.520 -1.611 1.00 14.98 C +ANISOU 733 CG MET A 102 2232 1556 1901 -299 44 -46 C +ATOM 734 SD MET A 102 -25.590 12.705 -1.554 1.00 16.80 S +ANISOU 734 SD MET A 102 2586 1647 2147 0 -527 285 S +ATOM 735 CE MET A 102 -26.029 12.276 -3.227 1.00 17.26 C +ANISOU 735 CE MET A 102 2776 1691 2089 -108 -584 133 C +ATOM 736 N ILE A 103 -23.436 17.714 -4.109 1.00 10.36 N +ANISOU 736 N ILE A 103 1633 916 1386 77 -356 -58 N +ATOM 737 CA ILE A 103 -22.311 18.459 -4.665 1.00 10.49 C +ANISOU 737 CA ILE A 103 1715 1194 1076 -15 -414 -65 C +ATOM 738 C ILE A 103 -22.320 19.910 -4.183 1.00 11.05 C +ANISOU 738 C ILE A 103 1661 1194 1341 170 -572 -119 C +ATOM 739 O ILE A 103 -21.270 20.412 -3.774 1.00 11.83 O +ANISOU 739 O ILE A 103 1624 1277 1591 114 -606 -207 O +ATOM 740 CB ILE A 103 -22.293 18.396 -6.200 1.00 12.05 C +ANISOU 740 CB ILE A 103 2034 1506 1037 9 -380 -101 C +ATOM 741 CG1 ILE A 103 -22.083 16.910 -6.621 1.00 12.76 C +ANISOU 741 CG1 ILE A 103 1876 1572 1400 0 -611 -229 C +ATOM 742 CG2 ILE A 103 -21.203 19.328 -6.765 1.00 13.74 C +ANISOU 742 CG2 ILE A 103 2108 1852 1259 -92 -316 -47 C +ATOM 743 CD1 ILE A 103 -22.304 16.644 -8.100 1.00 14.54 C +ANISOU 743 CD1 ILE A 103 1979 2137 1406 -164 -430 -434 C +ATOM 744 N TYR A 104 -23.480 20.580 -4.171 1.00 11.87 N +ANISOU 744 N TYR A 104 1976 1120 1410 394 -162 -152 N +ATOM 745 CA TYR A 104 -23.509 22.002 -3.713 1.00 11.87 C +ANISOU 745 CA TYR A 104 1889 1262 1357 299 -571 -331 C +ATOM 746 C TYR A 104 -22.959 22.139 -2.289 1.00 12.10 C +ANISOU 746 C TYR A 104 2281 1072 1242 198 -560 -64 C +ATOM 747 O TYR A 104 -22.309 23.142 -1.978 1.00 12.85 O +ANISOU 747 O TYR A 104 1989 1439 1452 -27 -700 36 O +ATOM 748 CB TYR A 104 -24.927 22.583 -3.763 1.00 12.62 C +ANISOU 748 CB TYR A 104 1782 1669 1343 344 -495 201 C +ATOM 749 CG TYR A 104 -25.394 22.905 -5.182 1.00 11.59 C +ANISOU 749 CG TYR A 104 1950 1179 1274 138 -560 0 C +ATOM 750 CD1 TYR A 104 -26.574 22.362 -5.700 1.00 11.98 C +ANISOU 750 CD1 TYR A 104 1717 1604 1231 216 -591 -56 C +ATOM 751 CD2 TYR A 104 -24.666 23.790 -5.991 1.00 13.44 C +ANISOU 751 CD2 TYR A 104 1908 1763 1434 155 -397 380 C +ATOM 752 CE1 TYR A 104 -27.017 22.678 -7.007 1.00 11.47 C +ANISOU 752 CE1 TYR A 104 1668 1397 1289 369 -485 130 C +ATOM 753 CE2 TYR A 104 -25.095 24.088 -7.312 1.00 14.07 C +ANISOU 753 CE2 TYR A 104 2113 1678 1555 66 -573 431 C +ATOM 754 CZ TYR A 104 -26.297 23.546 -7.784 1.00 13.18 C +ANISOU 754 CZ TYR A 104 1921 1426 1658 363 -425 85 C +ATOM 755 OH TYR A 104 -26.712 23.807 -9.080 1.00 14.97 O +ANISOU 755 OH TYR A 104 2270 1602 1814 318 -527 73 O +ATOM 756 N ARG A 105 -23.173 21.126 -1.448 1.00 12.14 N +ANISOU 756 N ARG A 105 2182 1262 1166 318 -331 36 N +ATOM 757 CA ARG A 105 -22.638 21.171 -0.071 1.00 13.34 C +ANISOU 757 CA ARG A 105 2378 1318 1371 267 -687 102 C +ATOM 758 C ARG A 105 -21.108 21.289 -0.046 1.00 13.91 C +ANISOU 758 C ARG A 105 2384 1309 1589 291 -835 -207 C +ATOM 759 O ARG A 105 -20.516 21.752 0.964 1.00 17.90 O +ANISOU 759 O ARG A 105 3098 2225 1478 207 -978 -296 O +ATOM 760 CB ARG A 105 -23.002 19.894 0.686 1.00 19.47 C +ANISOU 760 CB ARG A 105 3274 1711 2410 21 -386 571 C +ATOM 761 CG ARG A 105 -24.474 19.688 0.902 1.00 24.14 C +ANISOU 761 CG ARG A 105 3694 2521 2956 10 -154 824 C +ATOM 762 CD ARG A 105 -24.757 18.799 2.108 1.00 36.91 C +ANISOU 762 CD ARG A 105 5606 4919 3500 -1183 1549 1291 C +ATOM 763 NE ARG A 105 -26.099 18.249 1.994 1.00 37.62 N +ANISOU 763 NE ARG A 105 6411 4678 3204 -1333 186 671 N +ATOM 764 CZ ARG A 105 -26.356 16.956 1.875 0.50 36.67 C +ANISOU 764 CZ ARG A 105 5321 4201 4410 -401 -357 479 C +ATOM 765 NH1 ARG A 105 -25.358 16.073 1.880 0.50 28.47 N +ANISOU 765 NH1 ARG A 105 4890 3947 1980 -755 -1018 -898 N +ATOM 766 NH2 ARG A 105 -27.609 16.548 1.766 0.50 35.82 N +ANISOU 766 NH2 ARG A 105 4570 4266 4771 621 -605 1982 N +ATOM 767 N ASN A 106 -20.497 20.829 -1.143 1.00 13.70 N +ANISOU 767 N ASN A 106 2137 1415 1652 146 -490 176 N +ATOM 768 CA ASN A 106 -19.064 20.692 -1.293 1.00 13.67 C +ANISOU 768 CA ASN A 106 2317 1135 1742 243 -515 -96 C +ATOM 769 C ASN A 106 -18.429 21.804 -2.096 1.00 12.73 C +ANISOU 769 C ASN A 106 2149 1398 1288 206 -774 20 C +ATOM 770 O ASN A 106 -17.236 21.734 -2.407 1.00 15.41 O +ANISOU 770 O ASN A 106 2228 1587 2037 230 -796 -36 O +ATOM 771 CB ASN A 106 -18.777 19.310 -1.910 1.00 12.91 C +ANISOU 771 CB ASN A 106 2330 965 1608 292 -684 131 C +ATOM 772 CG ASN A 106 -18.905 18.215 -0.899 1.00 15.55 C +ANISOU 772 CG ASN A 106 2669 1203 2035 49 -1185 419 C +ATOM 773 OD1 ASN A 106 -19.928 17.499 -0.829 1.00 18.59 O +ANISOU 773 OD1 ASN A 106 2632 1985 2446 -146 -940 128 O +ATOM 774 ND2 ASN A 106 -17.898 18.087 -0.091 1.00 16.95 N +ANISOU 774 ND2 ASN A 106 2421 1467 2552 64 -1246 600 N +ATOM 775 N LEU A 107 -19.219 22.840 -2.426 1.00 13.23 N +ANISOU 775 N LEU A 107 2207 1225 1593 268 -691 -92 N +ATOM 776 CA LEU A 107 -18.708 24.016 -3.144 1.00 13.69 C +ANISOU 776 CA LEU A 107 2049 1264 1887 121 -870 32 C +ATOM 777 C LEU A 107 -18.558 25.220 -2.235 1.00 14.58 C +ANISOU 777 C LEU A 107 2456 1416 1668 -198 -659 -9 C +ATOM 778 O LEU A 107 -19.277 25.341 -1.238 1.00 16.54 O +ANISOU 778 O LEU A 107 2635 1403 2246 -132 -598 -182 O +ATOM 779 CB LEU A 107 -19.664 24.431 -4.273 1.00 13.20 C +ANISOU 779 CB LEU A 107 2094 1360 1558 99 -726 35 C +ATOM 780 CG LEU A 107 -20.039 23.305 -5.243 1.00 13.11 C +ANISOU 780 CG LEU A 107 1848 1614 1518 129 -751 -57 C +ATOM 781 CD1 LEU A 107 -21.078 23.793 -6.221 1.00 17.03 C +ANISOU 781 CD1 LEU A 107 2429 2003 2037 173 -1106 440 C +ATOM 782 CD2 LEU A 107 -18.812 22.771 -5.992 1.00 14.60 C +ANISOU 782 CD2 LEU A 107 1755 1744 2046 451 -544 175 C +ATOM 783 N VAL A 108 -17.657 26.129 -2.588 1.00 14.48 N +ANISOU 783 N VAL A 108 1915 1248 2338 -96 -995 148 N +ATOM 784 CA VAL A 108 -17.527 27.397 -1.845 1.00 16.27 C +ANISOU 784 CA VAL A 108 2552 1568 2062 48 -955 -103 C +ATOM 785 C VAL A 108 -18.851 28.186 -1.931 1.00 18.26 C +ANISOU 785 C VAL A 108 2591 1959 2388 92 -716 149 C +ATOM 786 O VAL A 108 -19.513 28.172 -2.975 1.00 17.46 O +ANISOU 786 O VAL A 108 2415 1896 2320 310 -571 281 O +ATOM 787 CB VAL A 108 -16.356 28.209 -2.388 1.00 17.17 C +ANISOU 787 CB VAL A 108 2362 1254 2906 121 -1025 187 C +ATOM 788 CG1 VAL A 108 -16.270 29.592 -1.727 1.00 20.21 C +ANISOU 788 CG1 VAL A 108 3074 1300 3301 -487 -613 54 C +ATOM 789 CG2 VAL A 108 -15.046 27.455 -2.150 1.00 18.12 C +ANISOU 789 CG2 VAL A 108 2476 1640 2768 398 -1009 59 C +ATOM 790 OXT VAL A 108 -19.318 28.816 -0.958 1.00 22.60 O +ANISOU 790 OXT VAL A 108 3589 2063 2932 323 -417 166 O +TER 791 VAL A 108 +HETATM 792 O3 NUT A 201 -23.667 5.839 -16.568 1.00 18.16 O +ANISOU 792 O3 NUT A 201 2971 1682 2248 136 -173 -588 O +HETATM 793 C25 NUT A 201 -23.015 6.538 -15.757 1.00 16.08 C +ANISOU 793 C25 NUT A 201 2123 1719 2267 314 -363 -344 C +HETATM 794 N2 NUT A 201 -21.695 6.402 -15.710 1.00 16.62 N +ANISOU 794 N2 NUT A 201 2187 2008 2117 154 56 -1030 N +HETATM 795 C29 NUT A 201 -21.006 5.564 -16.697 1.00 18.26 C +ANISOU 795 C29 NUT A 201 2767 2416 1753 405 -93 -1129 C +HETATM 796 C28 NUT A 201 -19.624 6.037 -17.066 1.00 21.25 C +ANISOU 796 C28 NUT A 201 3157 2714 2199 536 400 -787 C +HETATM 797 O2 NUT A 201 -19.027 5.438 -17.957 1.00 26.40 O +ANISOU 797 O2 NUT A 201 3704 3591 2733 1379 798 -838 O +HETATM 798 N3 NUT A 201 -19.096 7.088 -16.423 1.00 19.48 N +ANISOU 798 N3 NUT A 201 2555 2737 2107 -18 258 -379 N +HETATM 799 C27 NUT A 201 -19.765 7.777 -15.316 1.00 18.67 C +ANISOU 799 C27 NUT A 201 2451 2591 2049 -86 188 -350 C +HETATM 800 C26 NUT A 201 -20.851 6.955 -14.647 1.00 17.26 C +ANISOU 800 C26 NUT A 201 1996 2035 2527 -202 -446 -317 C +HETATM 801 N1 NUT A 201 -23.728 7.387 -14.970 1.00 13.52 N +ANISOU 801 N1 NUT A 201 2033 1394 1708 -58 -456 -184 N +HETATM 802 C10 NUT A 201 -25.032 7.173 -14.710 1.00 15.25 C +ANISOU 802 C10 NUT A 201 2213 1466 2112 -164 -146 -292 C +HETATM 803 C9 NUT A 201 -25.716 5.849 -14.559 1.00 13.04 C +ANISOU 803 C9 NUT A 201 2045 1190 1718 142 -301 -125 C +HETATM 804 C3 NUT A 201 -27.003 5.643 -15.033 1.00 15.29 C +ANISOU 804 C3 NUT A 201 2308 1346 2152 -343 -478 -226 C +HETATM 805 C2 NUT A 201 -27.636 4.390 -14.872 1.00 13.86 C +ANISOU 805 C2 NUT A 201 2166 1362 1735 -310 -648 -336 C +HETATM 806 C5 NUT A 201 -25.021 4.742 -13.878 1.00 12.69 C +ANISOU 806 C5 NUT A 201 1861 1362 1596 22 -523 5 C +HETATM 807 O1 NUT A 201 -23.751 4.950 -13.415 1.00 14.16 O +ANISOU 807 O1 NUT A 201 1996 1489 1895 66 -794 -20 O +HETATM 808 C6 NUT A 201 -23.077 3.927 -12.640 1.00 14.20 C +ANISOU 808 C6 NUT A 201 2041 1299 2053 187 -837 -266 C +HETATM 809 C8 NUT A 201 -22.445 2.900 -13.586 1.00 17.73 C +ANISOU 809 C8 NUT A 201 2325 1903 2506 434 -583 -502 C +HETATM 810 C7 NUT A 201 -22.063 4.596 -11.718 1.00 16.82 C +ANISOU 810 C7 NUT A 201 2163 1746 2481 -436 -911 -44 C +HETATM 811 C4 NUT A 201 -25.678 3.512 -13.732 1.00 13.78 C +ANISOU 811 C4 NUT A 201 1725 1650 1859 -280 -605 -223 C +HETATM 812 C1 NUT A 201 -26.973 3.348 -14.207 1.00 14.18 C +ANISOU 812 C1 NUT A 201 1738 1722 1927 -308 -598 -37 C +HETATM 813 O NUT A 201 -27.557 2.127 -14.022 1.00 15.19 O +ANISOU 813 O NUT A 201 1823 1762 2183 -300 -672 -257 O +HETATM 814 C NUT A 201 -28.863 1.822 -14.540 1.00 16.25 C +ANISOU 814 C NUT A 201 1824 1736 2613 -235 -905 -177 C +HETATM 815 C18 NUT A 201 -23.330 8.774 -14.740 1.00 15.90 C +ANISOU 815 C18 NUT A 201 2442 1522 2076 3 -340 -673 C +HETATM 816 C19 NUT A 201 -22.897 9.233 -13.374 1.00 13.46 C +ANISOU 816 C19 NUT A 201 1805 1625 1682 -85 -213 -131 C +HETATM 817 C24 NUT A 201 -22.198 10.451 -13.326 1.00 14.37 C +ANISOU 817 C24 NUT A 201 2078 1552 1830 31 -401 -386 C +HETATM 818 C23 NUT A 201 -21.867 10.994 -12.087 1.00 13.16 C +ANISOU 818 C23 NUT A 201 2292 1179 1528 162 -65 -192 C +HETATM 819 C22 NUT A 201 -22.260 10.321 -10.942 1.00 13.69 C +ANISOU 819 C22 NUT A 201 1981 1538 1681 16 -265 80 C +HETATM 820 CL1 NUT A 201 -21.928 11.079 -9.376 1.00 17.12 CL +ANISOU 820 CL1 NUT A 201 2523 1738 2243 286 -664 -259 CL +HETATM 821 C21 NUT A 201 -22.988 9.123 -10.942 1.00 13.60 C +ANISOU 821 C21 NUT A 201 1978 1403 1785 29 -219 -205 C +HETATM 822 C20 NUT A 201 -23.300 8.579 -12.190 1.00 13.58 C +ANISOU 822 C20 NUT A 201 1825 1687 1648 277 -303 -67 C +HETATM 823 C11 NUT A 201 -24.792 9.367 -15.038 1.00 15.99 C +ANISOU 823 C11 NUT A 201 2361 1668 2044 -45 -3 -155 C +HETATM 824 N NUT A 201 -25.707 8.251 -14.709 1.00 15.64 N +ANISOU 824 N NUT A 201 2003 1838 2100 4 -811 -79 N +HETATM 825 C12 NUT A 201 -25.194 10.617 -14.301 1.00 13.29 C +ANISOU 825 C12 NUT A 201 1863 1637 1548 132 -261 61 C +HETATM 826 C17 NUT A 201 -24.980 11.874 -14.865 1.00 14.98 C +ANISOU 826 C17 NUT A 201 1984 1418 2287 32 -363 -191 C +HETATM 827 C16 NUT A 201 -25.355 13.035 -14.145 1.00 14.37 C +ANISOU 827 C16 NUT A 201 1746 1685 2029 121 -477 -301 C +HETATM 828 C15 NUT A 201 -25.935 12.921 -12.864 1.00 14.91 C +ANISOU 828 C15 NUT A 201 2076 1661 1926 -8 -572 -400 C +HETATM 829 CL NUT A 201 -26.417 14.360 -11.915 1.00 18.16 CL +ANISOU 829 CL NUT A 201 2319 1785 2796 87 -444 -559 CL +HETATM 830 C14 NUT A 201 -26.156 11.677 -12.254 1.00 13.49 C +ANISOU 830 C14 NUT A 201 2027 1627 1470 291 -592 -256 C +HETATM 831 C13 NUT A 201 -25.791 10.528 -13.019 1.00 12.86 C +ANISOU 831 C13 NUT A 201 1829 1532 1523 54 -281 -353 C +HETATM 832 S SO4 A 202 -30.284 -1.594 -12.096 0.50 13.77 S +ANISOU 832 S SO4 A 202 2066 1664 1500 -571 -724 -244 S +HETATM 833 O1 SO4 A 202 -29.183 -2.189 -12.837 0.50 13.11 O +ANISOU 833 O1 SO4 A 202 2167 1241 1572 -773 -655 -163 O +HETATM 834 O2 SO4 A 202 -30.937 -0.509 -12.871 0.50 15.40 O +ANISOU 834 O2 SO4 A 202 2040 2226 1583 -452 -582 -115 O +HETATM 835 O3 SO4 A 202 -31.363 -2.531 -11.808 0.50 15.67 O +ANISOU 835 O3 SO4 A 202 2349 1899 1704 -773 -568 -353 O +HETATM 836 O4 SO4 A 202 -29.767 -1.053 -10.801 0.50 13.42 O +ANISOU 836 O4 SO4 A 202 2223 1473 1404 -888 -243 -436 O +HETATM 837 O HOH A 301 -32.477 2.910 -5.224 1.00 34.51 O +ANISOU 837 O HOH A 301 4486 4141 4482 330 760 -432 O +HETATM 838 O HOH A 302 -21.073 31.489 -11.536 1.00 17.23 O +ANISOU 838 O HOH A 302 2331 1973 2242 246 -115 565 O +HETATM 839 O HOH A 303 -28.315 7.881 -0.260 1.00 24.61 O +ANISOU 839 O HOH A 303 3254 3068 3029 229 -334 -370 O +HETATM 840 O HOH A 304 -11.555 25.940 -2.675 1.00 28.19 O +ANISOU 840 O HOH A 304 3214 3249 4247 -1106 -1134 -149 O +HETATM 841 O HOH A 305 -29.730 21.101 -5.749 1.00 13.16 O +ANISOU 841 O HOH A 305 1698 1615 1686 247 -146 19 O +HETATM 842 O HOH A 306 -15.713 19.652 -0.782 1.00 19.66 O +ANISOU 842 O HOH A 306 2857 2045 2565 -43 -734 -32 O +HETATM 843 O HOH A 307 -28.500 8.768 -14.299 1.00 18.91 O +ANISOU 843 O HOH A 307 2708 1626 2851 -38 -666 -371 O +HETATM 844 O HOH A 308 -25.168 25.427 -10.621 1.00 20.24 O +ANISOU 844 O HOH A 308 2953 2788 1950 242 -140 432 O +HETATM 845 O HOH A 309 -24.587 17.719 -15.272 1.00 21.13 O +ANISOU 845 O HOH A 309 3302 2548 2176 332 -205 -129 O +HETATM 846 O HOH A 310 -10.766 7.760 -0.518 1.00 28.31 O +ANISOU 846 O HOH A 310 3027 3048 4678 474 3 374 O +HETATM 847 O HOH A 311 -21.141 15.566 -17.125 1.00 29.85 O +ANISOU 847 O HOH A 311 4655 3946 2740 601 -573 -627 O +HETATM 848 O HOH A 312 -32.148 17.707 -3.033 1.00 21.56 O +ANISOU 848 O HOH A 312 3184 2036 2970 171 573 444 O +HETATM 849 O HOH A 313 -33.466 13.652 -7.152 1.00 21.11 O +ANISOU 849 O HOH A 313 2858 1808 3353 -38 25 288 O +HETATM 850 O HOH A 314 -33.854 14.693 -10.011 1.00 24.60 O +ANISOU 850 O HOH A 314 2446 2846 4055 12 -924 -521 O +HETATM 851 O HOH A 315 -25.641 29.157 -17.112 1.00 21.89 O +ANISOU 851 O HOH A 315 2699 3067 2551 11 421 336 O +HETATM 852 O HOH A 316 -35.294 15.304 -5.786 1.00 31.04 O +ANISOU 852 O HOH A 316 3191 3700 4900 -583 -110 644 O +HETATM 853 O HOH A 317 -23.175 1.109 -9.778 1.00 21.96 O +ANISOU 853 O HOH A 317 3277 2345 2720 270 -685 -569 O +HETATM 854 O HOH A 318 -23.057 30.053 -17.657 1.00 26.24 O +ANISOU 854 O HOH A 318 3865 3131 2974 132 -339 -52 O +HETATM 855 O HOH A 319 -20.580 1.417 0.149 1.00 24.10 O +ANISOU 855 O HOH A 319 3595 2609 2953 -358 -84 -3 O +HETATM 856 O HOH A 320 -32.776 -2.086 -9.425 1.00 32.27 O +ANISOU 856 O HOH A 320 4096 4343 3822 -757 -687 252 O +HETATM 857 O HOH A 321 -18.055 28.753 1.475 1.00 30.35 O +ANISOU 857 O HOH A 321 4258 4469 2804 551 -1115 -867 O +HETATM 858 O HOH A 322 -24.190 27.223 -8.864 0.50 20.53 O +ANISOU 858 O HOH A 322 2901 2331 2569 966 -469 481 O +HETATM 859 O HOH A 323 -23.655 15.375 -16.466 1.00 30.01 O +ANISOU 859 O HOH A 323 4355 3220 3824 783 -395 -304 O +HETATM 860 O HOH A 324 -15.726 27.437 1.823 1.00 22.18 O +ANISOU 860 O HOH A 324 2856 2745 2823 332 -197 378 O +HETATM 861 O HOH A 325 -11.629 27.687 -0.731 1.00 31.77 O +ANISOU 861 O HOH A 325 3130 4321 4620 -1120 -691 -506 O +HETATM 862 O HOH A 326 -19.575 22.553 -19.244 1.00 29.51 O +ANISOU 862 O HOH A 326 4268 4320 2624 1442 -7 195 O +HETATM 863 O HOH A 327 -16.548 8.467 -17.045 1.00 29.99 O +ANISOU 863 O HOH A 327 3080 3840 4474 -446 388 -456 O +HETATM 864 O HOH A 328 -13.520 28.845 1.130 1.00 24.91 O +ANISOU 864 O HOH A 328 3190 2743 3532 -405 -547 300 O +HETATM 865 O HOH A 329 -29.349 15.197 -1.178 1.00 32.78 O +ANISOU 865 O HOH A 329 3447 3782 5224 600 -925 260 O +HETATM 866 O HOH A 330 -26.516 9.472 -18.351 1.00 50.31 O +ANISOU 866 O HOH A 330 7703 6308 5103 -2268 -1195 113 O +HETATM 867 O HOH A 331 -30.647 -5.141 -11.193 1.00 35.43 O +ANISOU 867 O HOH A 331 4688 3215 5558 -915 -290 -127 O +HETATM 868 O HOH A 332 -29.739 8.406 -3.351 1.00 27.45 O +ANISOU 868 O HOH A 332 2298 4883 3249 309 434 -1055 O +HETATM 869 O HOH A 333 -32.615 18.315 -0.267 1.00 40.52 O +ANISOU 869 O HOH A 333 6030 5079 4286 809 984 942 O +HETATM 870 O HOH A 334 -18.096 10.668 -16.231 1.00 28.49 O +ANISOU 870 O HOH A 334 4670 3043 3109 -513 -835 381 O +HETATM 871 O HOH A 335 -30.545 6.891 -14.699 1.00 32.51 O +ANISOU 871 O HOH A 335 3147 3196 6009 384 -1526 -1547 O +HETATM 872 O HOH A 336 -32.667 22.729 -19.999 1.00 32.53 O +ANISOU 872 O HOH A 336 5165 4550 2643 682 -1754 426 O +HETATM 873 O HOH A 337 -36.133 21.855 -13.565 1.00 36.13 O +ANISOU 873 O HOH A 337 3511 5815 4401 2099 -422 -56 O +HETATM 874 O HOH A 338 -25.569 6.744 -18.311 1.00 28.01 O +ANISOU 874 O HOH A 338 4979 2401 3261 323 -1845 -228 O +HETATM 875 O HOH A 339 -8.396 8.049 -13.855 1.00 45.37 O +ANISOU 875 O HOH A 339 6279 5767 5191 -176 269 737 O +HETATM 876 O HOH A 340 -11.431 25.079 -6.093 1.00 32.32 O +ANISOU 876 O HOH A 340 3236 5063 3982 -1468 -562 307 O +HETATM 877 O HOH A 341 -7.181 20.220 -2.867 1.00 34.57 O +ANISOU 877 O HOH A 341 3073 4558 5502 198 185 -899 O +HETATM 878 O HOH A 342 -10.004 4.919 -0.158 1.00 50.44 O +ANISOU 878 O HOH A 342 6204 6340 6621 2196 -2392 1278 O +HETATM 879 O HOH A 343 -28.809 4.090 -1.785 1.00 32.90 O +ANISOU 879 O HOH A 343 3638 4156 4706 446 461 61 O +HETATM 880 O HOH A 344 -19.231 12.823 6.366 1.00 38.00 O +ANISOU 880 O HOH A 344 6775 4104 3556 477 -935 -599 O +HETATM 881 O HOH A 345 -18.635 20.640 3.113 1.00 32.80 O +ANISOU 881 O HOH A 345 4129 4621 3711 -373 -1433 1375 O +HETATM 882 O HOH A 346 -6.907 23.177 -3.075 1.00 44.92 O +ANISOU 882 O HOH A 346 5646 6470 4950 -2097 -501 -1141 O +HETATM 883 O HOH A 347 -19.141 27.767 3.847 1.00 37.34 O +ANISOU 883 O HOH A 347 4472 6030 3685 791 -625 1201 O +HETATM 884 O HOH A 348 -33.594 5.970 -7.211 1.00 36.08 O +ANISOU 884 O HOH A 348 2695 5361 5652 -742 -828 132 O +HETATM 885 O HOH A 349 -10.363 27.585 -5.098 1.00 43.47 O +ANISOU 885 O HOH A 349 4280 7131 5104 -2901 -449 1161 O +HETATM 886 O HOH A 350 -34.526 17.065 -3.765 1.00 31.34 O +ANISOU 886 O HOH A 350 3530 4849 3528 643 55 949 O +HETATM 887 O HOH A 351 -4.764 16.656 -11.744 1.00 37.65 O +ANISOU 887 O HOH A 351 3139 5195 5969 280 850 1057 O +HETATM 888 O HOH A 352 -35.090 20.640 -16.307 1.00 45.52 O +ANISOU 888 O HOH A 352 6261 4255 6779 -1692 -1525 -1257 O +HETATM 889 O HOH A 353 -17.124 3.085 8.159 1.00 41.49 O +ANISOU 889 O HOH A 353 5672 2939 7153 -204 -119 273 O +HETATM 890 O HOH A 354 -9.405 20.379 -16.286 1.00 41.02 O +ANISOU 890 O HOH A 354 5177 4847 5559 2138 204 529 O +HETATM 891 O HOH A 355 -5.656 14.860 -5.856 1.00 33.90 O +ANISOU 891 O HOH A 355 2167 6295 4418 164 -615 -355 O +HETATM 892 O HOH A 356 -26.202 13.562 2.174 1.00 32.86 O +ANISOU 892 O HOH A 356 3848 4175 4461 -98 -330 -65 O +HETATM 893 O HOH A 357 -9.487 9.363 -2.837 1.00 50.15 O +ANISOU 893 O HOH A 357 5017 7900 6135 -1643 -2375 987 O +HETATM 894 O HOH A 358 -35.358 11.214 -10.602 1.00 44.53 O +ANISOU 894 O HOH A 358 3633 6404 6880 -514 -2074 943 O +HETATM 895 O HOH A 359 -8.196 30.056 -7.599 1.00 51.55 O +ANISOU 895 O HOH A 359 4893 8162 6530 65 -732 1587 O +HETATM 896 O HOH A 360 -14.907 25.644 -17.050 1.00 38.67 O +ANISOU 896 O HOH A 360 5754 4282 4656 -892 1807 146 O +HETATM 897 O HOH A 361 -12.914 3.235 -2.055 1.00 35.19 O +ANISOU 897 O HOH A 361 4926 2272 6169 -60 -1323 562 O +HETATM 898 O HOH A 362 -25.253 8.876 6.253 1.00 36.55 O +ANISOU 898 O HOH A 362 5874 4510 3500 -796 1144 951 O +HETATM 899 O HOH A 363 -25.946 21.223 -20.748 1.00 44.95 O +ANISOU 899 O HOH A 363 8190 4360 4528 1877 -1029 -1023 O +HETATM 900 O HOH A 364 -25.606 17.054 -19.586 1.00 40.98 O +ANISOU 900 O HOH A 364 6687 4890 3994 -338 881 -707 O +HETATM 901 O HOH A 365 -23.867 30.951 -20.265 1.00 35.64 O +ANISOU 901 O HOH A 365 5348 4417 3775 633 719 1477 O +HETATM 902 O HOH A 366 -28.624 10.318 -17.108 1.00 40.10 O +ANISOU 902 O HOH A 366 6442 5388 3403 -351 -612 160 O +HETATM 903 O HOH A 367 -12.852 26.938 -15.528 1.00 43.55 O +ANISOU 903 O HOH A 367 5331 7146 4069 1441 1120 2072 O +HETATM 904 O HOH A 368 -11.989 1.523 -4.406 1.00 43.79 O +ANISOU 904 O HOH A 368 5596 3926 7115 1259 -2019 236 O +HETATM 905 O HOH A 369 -14.333 31.475 0.830 1.00 41.82 O +ANISOU 905 O HOH A 369 5424 3955 6509 -205 -1349 -642 O +HETATM 906 O HOH A 370 -17.552 -0.429 3.606 1.00 31.84 O +ANISOU 906 O HOH A 370 4464 2747 4887 -610 -829 667 O +HETATM 907 O HOH A 371 -20.412 4.362 5.912 1.00 41.17 O +ANISOU 907 O HOH A 371 6177 4048 5415 -173 -1354 -536 O +HETATM 908 O HOH A 372 -26.340 29.195 -19.677 1.00 35.96 O +ANISOU 908 O HOH A 372 4199 5136 4327 -377 -399 1929 O +HETATM 909 O HOH A 373 -17.876 5.529 5.038 1.00 44.48 O +ANISOU 909 O HOH A 373 6818 5474 4606 -1898 617 612 O +HETATM 910 O HOH A 374 -21.545 22.939 3.207 1.00 41.09 O +ANISOU 910 O HOH A 374 4938 6995 3679 1452 -327 -494 O +HETATM 911 O HOH A 375 -5.155 12.598 -4.137 1.00 52.93 O +ANISOU 911 O HOH A 375 6583 7587 5940 3281 -1561 -924 O +HETATM 912 O HOH A 376 -17.868 17.741 -19.527 1.00 46.26 O +ANISOU 912 O HOH A 376 7174 5611 4788 -33 -1863 2064 O +HETATM 913 O HOH A 377 -28.507 12.243 0.628 1.00 40.62 O +ANISOU 913 O HOH A 377 4008 4380 7043 -1668 749 -199 O +HETATM 914 O HOH A 378 -27.323 5.256 2.086 1.00 47.28 O +ANISOU 914 O HOH A 378 4643 8949 4371 -803 -824 2245 O +HETATM 915 O HOH A 379 -17.274 8.900 -19.929 1.00 51.37 O +ANISOU 915 O HOH A 379 7306 7331 4881 1723 831 82 O +HETATM 916 O HOH A 380 -2.647 11.654 -9.621 1.00 55.85 O +ANISOU 916 O HOH A 380 6743 4122 10356 602 905 757 O +HETATM 917 O HOH A 381 -25.077 13.669 -17.976 1.00 39.69 O +ANISOU 917 O HOH A 381 5668 5157 4253 -1282 -1001 432 O +HETATM 918 O HOH A 382 -3.705 12.473 -7.178 1.00 45.41 O +ANISOU 918 O HOH A 382 5811 3921 7519 608 -1372 -1032 O +HETATM 919 O HOH A 383 -20.580 28.794 -18.996 1.00 45.56 O +ANISOU 919 O HOH A 383 4571 8522 4217 -800 1309 -68 O +HETATM 920 O HOH A 384 -19.057 19.993 -20.347 1.00 45.70 O +ANISOU 920 O HOH A 384 6703 6822 3837 324 276 346 O +HETATM 921 O HOH A 385 -1.397 17.273 -19.788 1.00 53.73 O +ANISOU 921 O HOH A 385 9236 5997 5181 416 934 -1182 O +HETATM 922 O HOH A 386 -9.113 1.683 -2.526 1.00 53.38 O +ANISOU 922 O HOH A 386 7689 5315 7277 2133 -428 -1107 O +HETATM 923 O HOH A 387 -20.995 26.561 -20.478 1.00 43.70 O +ANISOU 923 O HOH A 387 5654 6354 4594 -939 861 -1520 O +HETATM 924 O HOH A 388 -0.317 19.473 -18.228 1.00 53.87 O +ANISOU 924 O HOH A 388 6532 7955 5978 1373 -209 849 O +HETATM 925 O HOH A 389 -15.864 2.562 -1.345 1.00 44.97 O +ANISOU 925 O HOH A 389 5124 6041 5921 -373 274 75 O +HETATM 926 O HOH A 390 -28.675 10.316 -1.608 1.00 33.55 O +ANISOU 926 O HOH A 390 5853 2668 4226 -485 -818 -806 O +HETATM 927 O HOH A 391 -29.290 15.834 -15.443 1.00 27.18 O +ANISOU 927 O HOH A 391 4908 1291 4125 903 149 -9 O +HETATM 928 O HOH A 392 -31.944 26.199 -19.260 1.00 26.05 O +ANISOU 928 O HOH A 392 2370 3523 4002 -586 687 -883 O +HETATM 929 O HOH A 393 -34.565 20.536 -11.717 1.00 22.82 O +ANISOU 929 O HOH A 393 2879 2967 2823 -567 -808 250 O +HETATM 930 O HOH A 394 -27.648 -1.487 -1.526 1.00 32.57 O +ANISOU 930 O HOH A 394 4992 4124 3257 -1093 64 -274 O +HETATM 931 O HOH A 395 -35.145 17.242 -10.864 1.00 41.48 O +ANISOU 931 O HOH A 395 4900 5597 5260 1494 -2590 -732 O +HETATM 932 O HOH A 396 -27.525 14.406 -16.717 1.00 41.22 O +ANISOU 932 O HOH A 396 3889 7188 4582 911 98 -88 O +HETATM 933 O HOH A 397 -8.370 11.218 -4.198 1.00 51.28 O +ANISOU 933 O HOH A 397 4047 7790 7648 1053 126 122 O +CONECT 792 793 +CONECT 793 792 794 801 +CONECT 794 793 795 800 +CONECT 795 794 796 +CONECT 796 795 797 798 +CONECT 797 796 +CONECT 798 796 799 +CONECT 799 798 800 +CONECT 800 794 799 +CONECT 801 793 802 815 +CONECT 802 801 803 824 +CONECT 803 802 804 806 +CONECT 804 803 805 +CONECT 805 804 812 +CONECT 806 803 807 811 +CONECT 807 806 808 +CONECT 808 807 809 810 +CONECT 809 808 +CONECT 810 808 +CONECT 811 806 812 +CONECT 812 805 811 813 +CONECT 813 812 814 +CONECT 814 813 +CONECT 815 801 816 823 +CONECT 816 815 817 822 +CONECT 817 816 818 +CONECT 818 817 819 +CONECT 819 818 820 821 +CONECT 820 819 +CONECT 821 819 822 +CONECT 822 816 821 +CONECT 823 815 824 825 +CONECT 824 802 823 +CONECT 825 823 826 831 +CONECT 826 825 827 +CONECT 827 826 828 +CONECT 828 827 829 830 +CONECT 829 828 +CONECT 830 828 831 +CONECT 831 825 830 +CONECT 832 833 834 835 836 +CONECT 833 832 +CONECT 834 832 +CONECT 835 832 +CONECT 836 832 +MASTER 308 0 2 5 4 0 7 6 886 1 45 8 +END diff --git a/data/targets/prelim_set_abl1_1iep/abl1_1iep.pdb b/data/targets/prelim_set_abl1_1iep/abl1_1iep.pdb new file mode 100644 index 0000000000000000000000000000000000000000..c80378b88b7380f1c0f865382620e259410be382 --- /dev/null +++ b/data/targets/prelim_set_abl1_1iep/abl1_1iep.pdb @@ -0,0 +1,5365 @@ +HEADER TRANSFERASE 10-APR-01 1IEP +TITLE CRYSTAL STRUCTURE OF THE C-ABL KINASE DOMAIN IN COMPLEX WITH STI-571. +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ABL; +COMPND 3 CHAIN: A, B; +COMPND 4 FRAGMENT: KINASE DOMAIN; +COMPND 5 SYNONYM: P150, C-ABL; +COMPND 6 EC: 2.7.1.112; +COMPND 7 ENGINEERED: YES +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; +SOURCE 3 ORGANISM_COMMON: HOUSE MOUSE; +SOURCE 4 ORGANISM_TAXID: 10090; +SOURCE 5 EXPRESSION_SYSTEM: SPODOPTERA FRUGIPERDA; +SOURCE 6 EXPRESSION_SYSTEM_COMMON: FALL ARMYWORM; +SOURCE 7 EXPRESSION_SYSTEM_TAXID: 7108; +SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: BACULOVIRUS; +SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PFASTBAC +KEYWDS KINASE, KINASE INHIBITOR, STI-571, ACTIVATION LOOP, TRANSFERASE +EXPDTA X-RAY DIFFRACTION +AUTHOR B.NAGAR,W.BORNMANN,T.SCHINDLER,B.CLARKSON,J.KURIYAN +REVDAT 4 09-AUG-23 1IEP 1 REMARK SEQADV HETSYN +REVDAT 3 24-FEB-09 1IEP 1 VERSN +REVDAT 2 01-JUL-03 1IEP 1 JRNL +REVDAT 1 18-APR-01 1IEP 0 +JRNL AUTH B.NAGAR,W.BORNMANN,P.PELLICENA,T.SCHINDLER,D.R.VEACH, +JRNL AUTH 2 W.T.MILLER,B.CLARKSON,J.KURIYAN +JRNL TITL CRYSTAL STRUCTURES OF THE KINASE DOMAIN OF C-ABL IN COMPLEX +JRNL TITL 2 WITH THE SMALL MOLECULE INHIBITORS PD173955 AND IMATINIB +JRNL TITL 3 (STI-571) +JRNL REF CANCER RES. V. 62 4236 2002 +JRNL REFN ISSN 0008-5472 +JRNL PMID 12154025 +REMARK 2 +REMARK 2 RESOLUTION. 2.10 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : CNS +REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- +REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU, +REMARK 3 : READ,RICE,SIMONSON,WARREN +REMARK 3 +REMARK 3 REFINEMENT TARGET : ENGH & HUBER +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.10 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 29.14 +REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 +REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 565920.720 +REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000 +REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 95.6 +REMARK 3 NUMBER OF REFLECTIONS : 35704 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT +REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM +REMARK 3 R VALUE (WORKING SET) : 0.231 +REMARK 3 FREE R VALUE : 0.262 +REMARK 3 FREE R VALUE TEST SET SIZE (%) : 8.200 +REMARK 3 FREE R VALUE TEST SET COUNT : 2917 +REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.005 +REMARK 3 +REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. +REMARK 3 TOTAL NUMBER OF BINS USED : 6 +REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.10 +REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.23 +REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 88.60 +REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 4978 +REMARK 3 BIN R VALUE (WORKING SET) : 0.3330 +REMARK 3 BIN FREE R VALUE : 0.3930 +REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 8.30 +REMARK 3 BIN FREE R VALUE TEST SET COUNT : 452 +REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.018 +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 4458 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 80 +REMARK 3 SOLVENT ATOMS : 172 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : 28.00 +REMARK 3 MEAN B VALUE (OVERALL, A**2) : 55.10 +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : 20.66000 +REMARK 3 B22 (A**2) : -6.98000 +REMARK 3 B33 (A**2) : -13.67000 +REMARK 3 B12 (A**2) : 0.00000 +REMARK 3 B13 (A**2) : 0.00000 +REMARK 3 B23 (A**2) : 0.00000 +REMARK 3 +REMARK 3 ESTIMATED COORDINATE ERROR. +REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.30 +REMARK 3 ESD FROM SIGMAA (A) : 0.33 +REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 +REMARK 3 +REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. +REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.36 +REMARK 3 ESD FROM C-V SIGMAA (A) : 0.43 +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. +REMARK 3 BOND LENGTHS (A) : 0.005 +REMARK 3 BOND ANGLES (DEGREES) : 1.200 +REMARK 3 DIHEDRAL ANGLES (DEGREES) : 21.30 +REMARK 3 IMPROPER ANGLES (DEGREES) : 0.690 +REMARK 3 +REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED +REMARK 3 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA +REMARK 3 MAIN-CHAIN BOND (A**2) : 2.270 ; 1.500 +REMARK 3 MAIN-CHAIN ANGLE (A**2) : 3.530 ; 2.000 +REMARK 3 SIDE-CHAIN BOND (A**2) : 3.230 ; 2.000 +REMARK 3 SIDE-CHAIN ANGLE (A**2) : 4.690 ; 2.500 +REMARK 3 +REMARK 3 BULK SOLVENT MODELING. +REMARK 3 METHOD USED : FLAT MODEL +REMARK 3 KSOL : 0.35 +REMARK 3 BSOL : 49.07 +REMARK 3 +REMARK 3 NCS MODEL : NULL +REMARK 3 +REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT +REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL +REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL +REMARK 3 +REMARK 3 PARAMETER FILE 1 : PROTEIN_REP.PARAM +REMARK 3 PARAMETER FILE 2 : STIPIPFLIP.PAR +REMARK 3 PARAMETER FILE 3 : WATER_REP.PARAM +REMARK 3 PARAMETER FILE 4 : ION.PARAM +REMARK 3 PARAMETER FILE 5 : NULL +REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP +REMARK 3 TOPOLOGY FILE 2 : STIPIPFLIP.TOP +REMARK 3 TOPOLOGY FILE 3 : WATER.TOP +REMARK 3 TOPOLOGY FILE 4 : ION.TOP +REMARK 3 TOPOLOGY FILE 5 : NULL +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: NULL +REMARK 4 +REMARK 4 1IEP COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 11-APR-01. +REMARK 100 THE DEPOSITION ID IS D_1000013215. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : 30-JAN-01 +REMARK 200 TEMPERATURE (KELVIN) : 103 +REMARK 200 PH : 6.5 +REMARK 200 NUMBER OF CRYSTALS USED : 1 +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : Y +REMARK 200 RADIATION SOURCE : CHESS +REMARK 200 BEAMLINE : F1 +REMARK 200 X-RAY GENERATOR MODEL : NULL +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 0.949 +REMARK 200 MONOCHROMATOR : SI +REMARK 200 OPTICS : NULL +REMARK 200 +REMARK 200 DETECTOR TYPE : CCD +REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 4 +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO +REMARK 200 DATA SCALING SOFTWARE : SCALEPACK +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 37004 +REMARK 200 RESOLUTION RANGE HIGH (A) : 2.100 +REMARK 200 RESOLUTION RANGE LOW (A) : 29.140 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 99.0 +REMARK 200 DATA REDUNDANCY : 5.300 +REMARK 200 R MERGE (I) : NULL +REMARK 200 R SYM (I) : 0.04100 +REMARK 200 FOR THE DATA SET : 16.3000 +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.10 +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.18 +REMARK 200 COMPLETENESS FOR SHELL (%) : 97.1 +REMARK 200 DATA REDUNDANCY IN SHELL : 4.50 +REMARK 200 R MERGE FOR SHELL (I) : NULL +REMARK 200 R SYM FOR SHELL (I) : 0.27000 +REMARK 200 FOR SHELL : 4.200 +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: FOURIER SYNTHESIS +REMARK 200 SOFTWARE USED: CNS +REMARK 200 STARTING MODEL: PDB ENTRY 1FPU +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 53.00 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.60 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: PEG 4000, MAGNESIUM CHLORIDE, MES, PH +REMARK 280 6.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 277K +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: F 2 2 2 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -X,-Y,Z +REMARK 290 3555 -X,Y,-Z +REMARK 290 4555 X,-Y,-Z +REMARK 290 5555 X,Y+1/2,Z+1/2 +REMARK 290 6555 -X,-Y+1/2,Z+1/2 +REMARK 290 7555 -X,Y+1/2,-Z+1/2 +REMARK 290 8555 X,-Y+1/2,-Z+1/2 +REMARK 290 9555 X+1/2,Y,Z+1/2 +REMARK 290 10555 -X+1/2,-Y,Z+1/2 +REMARK 290 11555 -X+1/2,Y,-Z+1/2 +REMARK 290 12555 X+1/2,-Y,-Z+1/2 +REMARK 290 13555 X+1/2,Y+1/2,Z +REMARK 290 14555 -X+1/2,-Y+1/2,Z +REMARK 290 15555 -X+1/2,Y+1/2,-Z +REMARK 290 16555 X+1/2,-Y+1/2,-Z +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 73.68550 +REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 76.72100 +REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 73.68550 +REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 76.72100 +REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 73.68550 +REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 76.72100 +REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 73.68550 +REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 76.72100 +REMARK 290 SMTRY1 9 1.000000 0.000000 0.000000 56.44250 +REMARK 290 SMTRY2 9 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 9 0.000000 0.000000 1.000000 76.72100 +REMARK 290 SMTRY1 10 -1.000000 0.000000 0.000000 56.44250 +REMARK 290 SMTRY2 10 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 10 0.000000 0.000000 1.000000 76.72100 +REMARK 290 SMTRY1 11 -1.000000 0.000000 0.000000 56.44250 +REMARK 290 SMTRY2 11 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 11 0.000000 0.000000 -1.000000 76.72100 +REMARK 290 SMTRY1 12 1.000000 0.000000 0.000000 56.44250 +REMARK 290 SMTRY2 12 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 12 0.000000 0.000000 -1.000000 76.72100 +REMARK 290 SMTRY1 13 1.000000 0.000000 0.000000 56.44250 +REMARK 290 SMTRY2 13 0.000000 1.000000 0.000000 73.68550 +REMARK 290 SMTRY3 13 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 14 -1.000000 0.000000 0.000000 56.44250 +REMARK 290 SMTRY2 14 0.000000 -1.000000 0.000000 73.68550 +REMARK 290 SMTRY3 14 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 15 -1.000000 0.000000 0.000000 56.44250 +REMARK 290 SMTRY2 15 0.000000 1.000000 0.000000 73.68550 +REMARK 290 SMTRY3 15 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 SMTRY1 16 1.000000 0.000000 0.000000 56.44250 +REMARK 290 SMTRY2 16 0.000000 -1.000000 0.000000 73.68550 +REMARK 290 SMTRY3 16 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1, 2 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 +REMARK 350 BIOMOLECULE: 2 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC +REMARK 350 APPLY THE FOLLOWING TO CHAINS: B +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 465 +REMARK 465 MISSING RESIDUES +REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE +REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) +REMARK 465 +REMARK 465 M RES C SSSEQI +REMARK 465 GLY A 223 +REMARK 465 ALA A 224 +REMARK 465 GLU A 499 +REMARK 465 SER A 500 +REMARK 465 SER A 501 +REMARK 465 ILE A 502 +REMARK 465 SER A 503 +REMARK 465 ASP A 504 +REMARK 465 GLU A 505 +REMARK 465 VAL A 506 +REMARK 465 GLU A 507 +REMARK 465 LYS A 508 +REMARK 465 GLU A 509 +REMARK 465 LEU A 510 +REMARK 465 GLY A 511 +REMARK 465 LYS A 512 +REMARK 465 ARG A 513 +REMARK 465 GLY A 514 +REMARK 465 THR A 515 +REMARK 465 GLY B 223 +REMARK 465 ALA B 224 +REMARK 465 GLU B 499 +REMARK 465 SER B 500 +REMARK 465 SER B 501 +REMARK 465 ILE B 502 +REMARK 465 SER B 503 +REMARK 465 ASP B 504 +REMARK 465 GLU B 505 +REMARK 465 VAL B 506 +REMARK 465 GLU B 507 +REMARK 465 LYS B 508 +REMARK 465 GLU B 509 +REMARK 465 LEU B 510 +REMARK 465 GLY B 511 +REMARK 465 LYS B 512 +REMARK 465 ARG B 513 +REMARK 465 GLY B 514 +REMARK 465 THR B 515 +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 LYS A 245 -143.51 -126.27 +REMARK 500 LYS A 262 -63.58 -29.05 +REMARK 500 LYS A 263 -18.69 -42.64 +REMARK 500 LYS A 274 169.47 -49.52 +REMARK 500 GLU A 275 78.74 -52.31 +REMARK 500 ASP A 276 82.34 54.59 +REMARK 500 MET A 278 37.61 -70.50 +REMARK 500 ARG A 362 -16.49 87.76 +REMARK 500 ASP A 363 54.49 -150.99 +REMARK 500 HIS A 396 99.09 -174.66 +REMARK 500 TYR A 440 61.19 38.04 +REMARK 500 SER B 229 140.99 -39.16 +REMARK 500 LYS B 245 -129.10 -93.00 +REMARK 500 LYS B 262 -72.14 -26.96 +REMARK 500 LYS B 263 -34.93 -38.82 +REMARK 500 MET B 278 13.82 -150.89 +REMARK 500 ARG B 362 -19.72 87.89 +REMARK 500 ASP B 363 55.43 -146.51 +REMARK 500 LEU B 387 -38.40 -163.21 +REMARK 500 THR B 389 -176.15 -68.60 +REMARK 500 ASP B 391 -9.78 -58.19 +REMARK 500 HIS B 396 129.65 -170.86 +REMARK 500 MET B 496 20.35 -69.59 +REMARK 500 PHE B 497 -97.19 -142.59 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 800 +REMARK 800 SITE +REMARK 800 SITE_IDENTIFIER: AC1 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL A 1 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC2 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL A 2 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC3 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL B 3 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC4 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL A 4 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC5 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL A 5 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC6 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL B 6 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC7 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE STI A 201 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC8 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE STI B 202 +REMARK 900 +REMARK 900 RELATED ENTRIES +REMARK 900 RELATED ID: 1FPU RELATED DB: PDB +DBREF 1IEP A 229 515 UNP P00520 ABL1_MOUSE 229 515 +DBREF 1IEP B 229 515 UNP P00520 ABL1_MOUSE 229 515 +SEQADV 1IEP GLY A 223 UNP P00520 CLONING ARTIFACT +SEQADV 1IEP ALA A 224 UNP P00520 CLONING ARTIFACT +SEQADV 1IEP MET A 225 UNP P00520 CLONING ARTIFACT +SEQADV 1IEP ASP A 226 UNP P00520 CLONING ARTIFACT +SEQADV 1IEP PRO A 227 UNP P00520 CLONING ARTIFACT +SEQADV 1IEP SER A 228 UNP P00520 CLONING ARTIFACT +SEQADV 1IEP GLY B 223 UNP P00520 CLONING ARTIFACT +SEQADV 1IEP ALA B 224 UNP P00520 CLONING ARTIFACT +SEQADV 1IEP MET B 225 UNP P00520 CLONING ARTIFACT +SEQADV 1IEP ASP B 226 UNP P00520 CLONING ARTIFACT +SEQADV 1IEP PRO B 227 UNP P00520 CLONING ARTIFACT +SEQADV 1IEP SER B 228 UNP P00520 CLONING ARTIFACT +SEQRES 1 A 293 GLY ALA MET ASP PRO SER SER PRO ASN TYR ASP LYS TRP +SEQRES 2 A 293 GLU MET GLU ARG THR ASP ILE THR MET LYS HIS LYS LEU +SEQRES 3 A 293 GLY GLY GLY GLN TYR GLY GLU VAL TYR GLU GLY VAL TRP +SEQRES 4 A 293 LYS LYS TYR SER LEU THR VAL ALA VAL LYS THR LEU LYS +SEQRES 5 A 293 GLU ASP THR MET GLU VAL GLU GLU PHE LEU LYS GLU ALA +SEQRES 6 A 293 ALA VAL MET LYS GLU ILE LYS HIS PRO ASN LEU VAL GLN +SEQRES 7 A 293 LEU LEU GLY VAL CYS THR ARG GLU PRO PRO PHE TYR ILE +SEQRES 8 A 293 ILE THR GLU PHE MET THR TYR GLY ASN LEU LEU ASP TYR +SEQRES 9 A 293 LEU ARG GLU CYS ASN ARG GLN GLU VAL SER ALA VAL VAL +SEQRES 10 A 293 LEU LEU TYR MET ALA THR GLN ILE SER SER ALA MET GLU +SEQRES 11 A 293 TYR LEU GLU LYS LYS ASN PHE ILE HIS ARG ASP LEU ALA +SEQRES 12 A 293 ALA ARG ASN CYS LEU VAL GLY GLU ASN HIS LEU VAL LYS +SEQRES 13 A 293 VAL ALA ASP PHE GLY LEU SER ARG LEU MET THR GLY ASP +SEQRES 14 A 293 THR TYR THR ALA HIS ALA GLY ALA LYS PHE PRO ILE LYS +SEQRES 15 A 293 TRP THR ALA PRO GLU SER LEU ALA TYR ASN LYS PHE SER +SEQRES 16 A 293 ILE LYS SER ASP VAL TRP ALA PHE GLY VAL LEU LEU TRP +SEQRES 17 A 293 GLU ILE ALA THR TYR GLY MET SER PRO TYR PRO GLY ILE +SEQRES 18 A 293 ASP LEU SER GLN VAL TYR GLU LEU LEU GLU LYS ASP TYR +SEQRES 19 A 293 ARG MET GLU ARG PRO GLU GLY CYS PRO GLU LYS VAL TYR +SEQRES 20 A 293 GLU LEU MET ARG ALA CYS TRP GLN TRP ASN PRO SER ASP +SEQRES 21 A 293 ARG PRO SER PHE ALA GLU ILE HIS GLN ALA PHE GLU THR +SEQRES 22 A 293 MET PHE GLN GLU SER SER ILE SER ASP GLU VAL GLU LYS +SEQRES 23 A 293 GLU LEU GLY LYS ARG GLY THR +SEQRES 1 B 293 GLY ALA MET ASP PRO SER SER PRO ASN TYR ASP LYS TRP +SEQRES 2 B 293 GLU MET GLU ARG THR ASP ILE THR MET LYS HIS LYS LEU +SEQRES 3 B 293 GLY GLY GLY GLN TYR GLY GLU VAL TYR GLU GLY VAL TRP +SEQRES 4 B 293 LYS LYS TYR SER LEU THR VAL ALA VAL LYS THR LEU LYS +SEQRES 5 B 293 GLU ASP THR MET GLU VAL GLU GLU PHE LEU LYS GLU ALA +SEQRES 6 B 293 ALA VAL MET LYS GLU ILE LYS HIS PRO ASN LEU VAL GLN +SEQRES 7 B 293 LEU LEU GLY VAL CYS THR ARG GLU PRO PRO PHE TYR ILE +SEQRES 8 B 293 ILE THR GLU PHE MET THR TYR GLY ASN LEU LEU ASP TYR +SEQRES 9 B 293 LEU ARG GLU CYS ASN ARG GLN GLU VAL SER ALA VAL VAL +SEQRES 10 B 293 LEU LEU TYR MET ALA THR GLN ILE SER SER ALA MET GLU +SEQRES 11 B 293 TYR LEU GLU LYS LYS ASN PHE ILE HIS ARG ASP LEU ALA +SEQRES 12 B 293 ALA ARG ASN CYS LEU VAL GLY GLU ASN HIS LEU VAL LYS +SEQRES 13 B 293 VAL ALA ASP PHE GLY LEU SER ARG LEU MET THR GLY ASP +SEQRES 14 B 293 THR TYR THR ALA HIS ALA GLY ALA LYS PHE PRO ILE LYS +SEQRES 15 B 293 TRP THR ALA PRO GLU SER LEU ALA TYR ASN LYS PHE SER +SEQRES 16 B 293 ILE LYS SER ASP VAL TRP ALA PHE GLY VAL LEU LEU TRP +SEQRES 17 B 293 GLU ILE ALA THR TYR GLY MET SER PRO TYR PRO GLY ILE +SEQRES 18 B 293 ASP LEU SER GLN VAL TYR GLU LEU LEU GLU LYS ASP TYR +SEQRES 19 B 293 ARG MET GLU ARG PRO GLU GLY CYS PRO GLU LYS VAL TYR +SEQRES 20 B 293 GLU LEU MET ARG ALA CYS TRP GLN TRP ASN PRO SER ASP +SEQRES 21 B 293 ARG PRO SER PHE ALA GLU ILE HIS GLN ALA PHE GLU THR +SEQRES 22 B 293 MET PHE GLN GLU SER SER ILE SER ASP GLU VAL GLU LYS +SEQRES 23 B 293 GLU LEU GLY LYS ARG GLY THR +HET CL A 1 1 +HET CL A 2 1 +HET CL A 4 1 +HET CL A 5 1 +HET STI A 201 37 +HET CL B 3 1 +HET CL B 6 1 +HET STI B 202 37 +HETNAM CL CHLORIDE ION +HETNAM STI 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4- +HETNAM 2 STI PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE +HETSYN STI STI-571; IMATINIB +FORMUL 3 CL 6(CL 1-) +FORMUL 7 STI 2(C29 H31 N7 O) +FORMUL 11 HOH *172(H2 O) +HELIX 1 1 GLU A 238 THR A 240 5 3 +HELIX 2 2 GLY A 249 GLN A 252 5 4 +HELIX 3 3 LYS A 263 SER A 265 5 3 +HELIX 4 4 GLU A 279 LYS A 291 1 13 +HELIX 5 5 ASN A 322 CYS A 330 1 9 +HELIX 6 6 SER A 336 LYS A 357 1 22 +HELIX 7 7 ALA A 365 ARG A 367 5 3 +HELIX 8 8 GLU A 373 HIS A 375 5 3 +HELIX 9 9 PRO A 402 THR A 406 5 5 +HELIX 10 10 ALA A 407 ASN A 414 1 8 +HELIX 11 11 SER A 417 THR A 434 1 18 +HELIX 12 12 ASP A 444 SER A 446 5 3 +HELIX 13 13 GLN A 447 LYS A 454 1 8 +HELIX 14 14 PRO A 465 TRP A 476 1 12 +HELIX 15 15 ASN A 479 ARG A 483 5 5 +HELIX 16 16 SER A 485 GLN A 498 1 14 +HELIX 17 17 GLU B 238 THR B 240 5 3 +HELIX 18 18 GLY B 249 GLN B 252 5 4 +HELIX 19 19 LYS B 263 SER B 265 5 3 +HELIX 20 20 GLU B 279 LYS B 291 1 13 +HELIX 21 21 ASN B 322 CYS B 330 1 9 +HELIX 22 22 SER B 336 LYS B 357 1 22 +HELIX 23 23 ALA B 365 ARG B 367 5 3 +HELIX 24 24 GLU B 373 HIS B 375 5 3 +HELIX 25 25 GLY B 383 LEU B 387 5 5 +HELIX 26 26 PRO B 402 THR B 406 5 5 +HELIX 27 27 ALA B 407 ASN B 414 1 8 +HELIX 28 28 SER B 417 THR B 434 1 18 +HELIX 29 29 ASP B 444 SER B 446 5 3 +HELIX 30 30 GLN B 447 LYS B 454 1 8 +HELIX 31 31 PRO B 465 TRP B 476 1 12 +HELIX 32 32 ASN B 479 ARG B 483 5 5 +HELIX 33 33 SER B 485 MET B 496 1 12 +SHEET 1 A 5 ILE A 242 LYS A 247 0 +SHEET 2 A 5 VAL A 256 TRP A 261 -1 N GLU A 258 O HIS A 246 +SHEET 3 A 5 LEU A 266 THR A 272 -1 O LEU A 266 N TRP A 261 +SHEET 4 A 5 TYR A 312 GLU A 316 -1 O ILE A 313 N LYS A 271 +SHEET 5 A 5 LEU A 301 CYS A 305 -1 N LEU A 302 O ILE A 314 +SHEET 1 B 2 CYS A 369 VAL A 371 0 +SHEET 2 B 2 VAL A 377 VAL A 379 -1 O LYS A 378 N LEU A 370 +SHEET 1 C 2 THR A 394 HIS A 396 0 +SHEET 2 C 2 ALA A 399 PHE A 401 -1 O ALA A 399 N HIS A 396 +SHEET 1 D 5 ILE B 242 LYS B 247 0 +SHEET 2 D 5 VAL B 256 TRP B 261 -1 N GLU B 258 O HIS B 246 +SHEET 3 D 5 LEU B 266 THR B 272 -1 O LEU B 266 N TRP B 261 +SHEET 4 D 5 TYR B 312 GLU B 316 -1 O ILE B 313 N LYS B 271 +SHEET 5 D 5 LEU B 301 CYS B 305 -1 N LEU B 302 O ILE B 314 +SHEET 1 E 2 CYS B 369 VAL B 371 0 +SHEET 2 E 2 VAL B 377 VAL B 379 -1 O LYS B 378 N LEU B 370 +SHEET 1 F 2 THR B 394 HIS B 396 0 +SHEET 2 F 2 ALA B 399 PHE B 401 -1 O ALA B 399 N HIS B 396 +CISPEP 1 PRO A 309 PRO A 310 0 0.03 +CISPEP 2 PRO B 309 PRO B 310 0 0.04 +SITE 1 AC1 1 HOH A 60 +SITE 1 AC2 2 STI A 201 ILE A 360 +SITE 1 AC3 3 HOH B 151 STI B 202 ILE B 360 +SITE 1 AC4 2 THR A 319 GLY A 372 +SITE 1 AC5 4 STI A 201 TYR A 253 GLY A 321 ASN A 322 +SITE 1 AC6 4 STI B 202 TYR B 253 GLY B 321 ASN B 322 +SITE 1 AC7 20 CL A 2 CL A 5 HOH A 75 LEU A 248 +SITE 2 AC7 20 TYR A 253 ALA A 269 LYS A 271 GLU A 286 +SITE 3 AC7 20 MET A 290 VAL A 299 ILE A 313 THR A 315 +SITE 4 AC7 20 PHE A 317 MET A 318 ILE A 360 HIS A 361 +SITE 5 AC7 20 ARG A 362 ALA A 380 ASP A 381 PHE A 382 +SITE 1 AC8 19 CL B 3 CL B 6 HOH B 165 LEU B 248 +SITE 2 AC8 19 TYR B 253 VAL B 256 ALA B 269 LYS B 271 +SITE 3 AC8 19 GLU B 286 MET B 290 VAL B 299 ILE B 313 +SITE 4 AC8 19 THR B 315 MET B 318 ILE B 360 HIS B 361 +SITE 5 AC8 19 ALA B 380 ASP B 381 PHE B 382 +CRYST1 112.885 147.371 153.442 90.00 90.00 90.00 F 2 2 2 32 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.008859 0.000000 0.000000 0.00000 +SCALE2 0.000000 0.006786 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.006517 0.00000 +ATOM 1 N MET A 225 19.353 41.547 -3.887 1.00 72.26 N +ATOM 2 CA MET A 225 20.513 40.939 -4.592 1.00 70.80 C +ATOM 3 C MET A 225 20.150 39.658 -5.355 1.00 69.53 C +ATOM 4 O MET A 225 19.053 39.551 -5.903 1.00 68.86 O +ATOM 5 CB MET A 225 21.642 40.678 -3.592 1.00 71.61 C +ATOM 6 CG MET A 225 21.233 39.903 -2.360 1.00 72.49 C +ATOM 7 SD MET A 225 22.533 39.928 -1.113 1.00 76.72 S +ATOM 8 CE MET A 225 23.771 38.881 -1.885 1.00 71.61 C +ATOM 9 N ASP A 226 21.068 38.694 -5.390 1.00 67.35 N +ATOM 10 CA ASP A 226 20.856 37.440 -6.117 1.00 64.67 C +ATOM 11 C ASP A 226 20.124 36.371 -5.299 1.00 60.64 C +ATOM 12 O ASP A 226 20.680 35.818 -4.351 1.00 61.28 O +ATOM 13 CB ASP A 226 22.208 36.890 -6.586 1.00 68.19 C +ATOM 14 CG ASP A 226 22.073 35.863 -7.699 1.00 72.67 C +ATOM 15 OD1 ASP A 226 21.305 34.890 -7.529 1.00 73.52 O +ATOM 16 OD2 ASP A 226 22.740 36.029 -8.744 1.00 72.20 O +ATOM 17 N PRO A 227 18.872 36.052 -5.675 1.00 58.29 N +ATOM 18 CA PRO A 227 18.030 35.054 -4.999 1.00 56.77 C +ATOM 19 C PRO A 227 18.675 33.677 -4.831 1.00 58.61 C +ATOM 20 O PRO A 227 18.457 32.997 -3.824 1.00 57.58 O +ATOM 21 CB PRO A 227 16.788 34.997 -5.884 1.00 55.32 C +ATOM 22 CG PRO A 227 16.706 36.383 -6.436 1.00 57.16 C +ATOM 23 CD PRO A 227 18.142 36.670 -6.796 1.00 56.73 C +ATOM 24 N SER A 228 19.458 33.264 -5.821 1.00 59.84 N +ATOM 25 CA SER A 228 20.130 31.969 -5.773 1.00 62.95 C +ATOM 26 C SER A 228 21.464 32.040 -5.031 1.00 65.13 C +ATOM 27 O SER A 228 22.045 31.008 -4.688 1.00 66.16 O +ATOM 28 CB SER A 228 20.364 31.447 -7.191 1.00 62.28 C +ATOM 29 OG SER A 228 21.180 32.341 -7.928 1.00 62.06 O +ATOM 30 N SER A 229 21.950 33.253 -4.788 1.00 64.53 N +ATOM 31 CA SER A 229 23.216 33.437 -4.085 1.00 65.76 C +ATOM 32 C SER A 229 23.144 32.931 -2.643 1.00 66.52 C +ATOM 33 O SER A 229 22.121 33.077 -1.970 1.00 64.82 O +ATOM 34 CB SER A 229 23.619 34.914 -4.089 1.00 66.77 C +ATOM 35 OG SER A 229 24.716 35.143 -3.220 1.00 65.78 O +ATOM 36 N PRO A 230 24.239 32.327 -2.153 1.00 66.91 N +ATOM 37 CA PRO A 230 24.317 31.793 -0.789 1.00 67.68 C +ATOM 38 C PRO A 230 24.165 32.880 0.276 1.00 67.83 C +ATOM 39 O PRO A 230 23.752 32.609 1.406 1.00 68.00 O +ATOM 40 CB PRO A 230 25.702 31.145 -0.751 1.00 67.73 C +ATOM 41 CG PRO A 230 25.937 30.756 -2.179 1.00 67.84 C +ATOM 42 CD PRO A 230 25.446 31.972 -2.919 1.00 66.34 C +ATOM 43 N ASN A 231 24.500 34.111 -0.097 1.00 66.49 N +ATOM 44 CA ASN A 231 24.419 35.239 0.819 1.00 66.05 C +ATOM 45 C ASN A 231 23.237 36.164 0.516 1.00 61.13 C +ATOM 46 O ASN A 231 23.340 37.382 0.668 1.00 58.71 O +ATOM 47 CB ASN A 231 25.726 36.040 0.765 1.00 70.48 C +ATOM 48 CG ASN A 231 26.937 35.211 1.171 1.00 74.28 C +ATOM 49 OD1 ASN A 231 26.811 34.220 1.891 1.00 78.33 O +ATOM 50 ND2 ASN A 231 28.117 35.619 0.716 1.00 74.69 N +ATOM 51 N TYR A 232 22.114 35.591 0.092 1.00 55.17 N +ATOM 52 CA TYR A 232 20.945 36.405 -0.222 1.00 50.20 C +ATOM 53 C TYR A 232 20.279 36.969 1.023 1.00 48.25 C +ATOM 54 O TYR A 232 19.972 36.238 1.966 1.00 52.46 O +ATOM 55 CB TYR A 232 19.891 35.609 -0.999 1.00 46.52 C +ATOM 56 CG TYR A 232 18.676 36.451 -1.350 1.00 43.11 C +ATOM 57 CD1 TYR A 232 18.715 37.355 -2.411 1.00 40.63 C +ATOM 58 CD2 TYR A 232 17.508 36.387 -0.583 1.00 41.66 C +ATOM 59 CE1 TYR A 232 17.625 38.180 -2.700 1.00 42.95 C +ATOM 60 CE2 TYR A 232 16.408 37.210 -0.866 1.00 37.96 C +ATOM 61 CZ TYR A 232 16.478 38.102 -1.921 1.00 39.57 C +ATOM 62 OH TYR A 232 15.420 38.937 -2.194 1.00 40.75 O +ATOM 63 N ASP A 233 20.052 38.274 1.014 1.00 47.94 N +ATOM 64 CA ASP A 233 19.381 38.942 2.122 1.00 46.79 C +ATOM 65 C ASP A 233 18.290 39.792 1.493 1.00 43.90 C +ATOM 66 O ASP A 233 18.582 40.735 0.758 1.00 40.31 O +ATOM 67 CB ASP A 233 20.348 39.842 2.890 1.00 45.63 C +ATOM 68 CG ASP A 233 19.691 40.506 4.088 1.00 51.78 C +ATOM 69 OD1 ASP A 233 18.531 40.963 3.964 1.00 51.54 O +ATOM 70 OD2 ASP A 233 20.334 40.578 5.154 1.00 53.30 O +ATOM 71 N LYS A 234 17.035 39.457 1.771 1.00 43.11 N +ATOM 72 CA LYS A 234 15.920 40.207 1.200 1.00 42.42 C +ATOM 73 C LYS A 234 15.946 41.692 1.557 1.00 41.40 C +ATOM 74 O LYS A 234 15.401 42.516 0.827 1.00 39.09 O +ATOM 75 CB LYS A 234 14.591 39.605 1.655 1.00 44.79 C +ATOM 76 CG LYS A 234 14.361 39.636 3.156 1.00 47.10 C +ATOM 77 CD LYS A 234 13.049 38.955 3.503 1.00 49.82 C +ATOM 78 CE LYS A 234 12.810 38.914 5.001 1.00 51.10 C +ATOM 79 NZ LYS A 234 11.495 38.291 5.325 1.00 49.81 N +ATOM 80 N TRP A 235 16.592 42.034 2.667 1.00 41.10 N +ATOM 81 CA TRP A 235 16.640 43.427 3.107 1.00 40.69 C +ATOM 82 C TRP A 235 17.655 44.315 2.389 1.00 42.11 C +ATOM 83 O TRP A 235 17.481 45.535 2.351 1.00 37.17 O +ATOM 84 CB TRP A 235 16.880 43.493 4.619 1.00 37.95 C +ATOM 85 CG TRP A 235 15.806 42.843 5.431 1.00 34.37 C +ATOM 86 CD1 TRP A 235 15.874 41.639 6.063 1.00 35.72 C +ATOM 87 CD2 TRP A 235 14.500 43.373 5.715 1.00 36.45 C +ATOM 88 NE1 TRP A 235 14.695 41.384 6.729 1.00 38.24 N +ATOM 89 CE2 TRP A 235 13.837 42.433 6.532 1.00 36.83 C +ATOM 90 CE3 TRP A 235 13.830 44.552 5.359 1.00 36.90 C +ATOM 91 CZ2 TRP A 235 12.532 42.634 7.002 1.00 41.62 C +ATOM 92 CZ3 TRP A 235 12.530 44.753 5.827 1.00 40.27 C +ATOM 93 CH2 TRP A 235 11.899 43.798 6.639 1.00 39.51 C +ATOM 94 N GLU A 236 18.707 43.717 1.823 1.00 42.48 N +ATOM 95 CA GLU A 236 19.727 44.490 1.105 1.00 43.64 C +ATOM 96 C GLU A 236 19.069 45.163 -0.085 1.00 46.41 C +ATOM 97 O GLU A 236 18.358 44.515 -0.850 1.00 48.57 O +ATOM 98 CB GLU A 236 20.851 43.584 0.591 1.00 43.17 C +ATOM 99 CG GLU A 236 21.694 42.896 1.661 1.00 45.14 C +ATOM 100 CD GLU A 236 22.663 43.840 2.360 1.00 49.61 C +ATOM 101 OE1 GLU A 236 22.934 44.935 1.822 1.00 47.60 O +ATOM 102 OE2 GLU A 236 23.164 43.475 3.444 1.00 51.07 O +ATOM 103 N MET A 237 19.307 46.457 -0.256 1.00 47.75 N +ATOM 104 CA MET A 237 18.703 47.170 -1.371 1.00 52.18 C +ATOM 105 C MET A 237 19.714 48.004 -2.134 1.00 54.03 C +ATOM 106 O MET A 237 20.879 48.088 -1.750 1.00 53.01 O +ATOM 107 CB MET A 237 17.558 48.059 -0.878 1.00 54.76 C +ATOM 108 CG MET A 237 17.972 49.157 0.078 1.00 62.51 C +ATOM 109 SD MET A 237 16.541 50.098 0.656 1.00 74.54 S +ATOM 110 CE MET A 237 16.249 51.167 -0.758 1.00 74.99 C +ATOM 111 N GLU A 238 19.253 48.628 -3.212 1.00 56.90 N +ATOM 112 CA GLU A 238 20.119 49.442 -4.044 1.00 61.36 C +ATOM 113 C GLU A 238 20.302 50.859 -3.518 1.00 62.92 C +ATOM 114 O GLU A 238 19.362 51.655 -3.466 1.00 61.45 O +ATOM 115 CB GLU A 238 19.585 49.482 -5.478 1.00 66.85 C +ATOM 116 CG GLU A 238 20.532 50.153 -6.466 1.00 75.99 C +ATOM 117 CD GLU A 238 21.924 49.537 -6.452 1.00 80.91 C +ATOM 118 OE1 GLU A 238 22.046 48.327 -6.750 1.00 83.02 O +ATOM 119 OE2 GLU A 238 22.896 50.262 -6.140 1.00 81.87 O +ATOM 120 N ARG A 239 21.535 51.153 -3.127 1.00 62.34 N +ATOM 121 CA ARG A 239 21.921 52.456 -2.608 1.00 65.10 C +ATOM 122 C ARG A 239 21.474 53.576 -3.548 1.00 64.58 C +ATOM 123 O ARG A 239 21.137 54.671 -3.108 1.00 65.28 O +ATOM 124 CB ARG A 239 23.441 52.481 -2.451 1.00 66.01 C +ATOM 125 CG ARG A 239 24.041 53.792 -1.995 1.00 70.00 C +ATOM 126 CD ARG A 239 25.554 53.725 -2.155 1.00 69.64 C +ATOM 127 NE ARG A 239 26.097 52.511 -1.550 1.00 67.44 N +ATOM 128 CZ ARG A 239 26.127 52.277 -0.243 1.00 65.26 C +ATOM 129 NH1 ARG A 239 25.647 53.179 0.601 1.00 65.80 N +ATOM 130 NH2 ARG A 239 26.621 51.138 0.220 1.00 60.60 N +ATOM 131 N THR A 240 21.471 53.281 -4.844 1.00 66.16 N +ATOM 132 CA THR A 240 21.093 54.241 -5.880 1.00 67.57 C +ATOM 133 C THR A 240 19.599 54.568 -5.913 1.00 68.41 C +ATOM 134 O THR A 240 19.195 55.617 -6.420 1.00 66.88 O +ATOM 135 CB THR A 240 21.515 53.719 -7.273 1.00 68.91 C +ATOM 136 OG1 THR A 240 22.941 53.584 -7.319 1.00 70.67 O +ATOM 137 CG2 THR A 240 21.063 54.672 -8.368 1.00 68.90 C +ATOM 138 N ASP A 241 18.786 53.664 -5.376 1.00 69.49 N +ATOM 139 CA ASP A 241 17.336 53.846 -5.339 1.00 70.98 C +ATOM 140 C ASP A 241 16.904 54.991 -4.426 1.00 69.74 C +ATOM 141 O ASP A 241 15.808 55.536 -4.578 1.00 67.19 O +ATOM 142 CB ASP A 241 16.661 52.554 -4.868 1.00 73.87 C +ATOM 143 CG ASP A 241 16.602 51.496 -5.950 1.00 76.31 C +ATOM 144 OD1 ASP A 241 17.617 51.293 -6.649 1.00 77.15 O +ATOM 145 OD2 ASP A 241 15.537 50.859 -6.093 1.00 78.66 O +ATOM 146 N ILE A 242 17.769 55.355 -3.484 1.00 68.06 N +ATOM 147 CA ILE A 242 17.455 56.411 -2.528 1.00 66.29 C +ATOM 148 C ILE A 242 18.124 57.754 -2.799 1.00 66.55 C +ATOM 149 O ILE A 242 19.335 57.833 -2.996 1.00 66.04 O +ATOM 150 CB ILE A 242 17.825 55.972 -1.100 1.00 64.69 C +ATOM 151 CG1 ILE A 242 17.131 54.648 -0.771 1.00 64.66 C +ATOM 152 CG2 ILE A 242 17.426 57.053 -0.106 1.00 63.57 C +ATOM 153 CD1 ILE A 242 17.619 53.992 0.502 1.00 64.35 C +ATOM 154 N THR A 243 17.317 58.810 -2.800 1.00 67.08 N +ATOM 155 CA THR A 243 17.809 60.165 -3.014 1.00 69.10 C +ATOM 156 C THR A 243 18.158 60.736 -1.640 1.00 67.42 C +ATOM 157 O THR A 243 17.268 61.072 -0.861 1.00 65.86 O +ATOM 158 CB THR A 243 16.723 61.058 -3.663 1.00 71.41 C +ATOM 159 OG1 THR A 243 16.308 60.484 -4.907 1.00 74.68 O +ATOM 160 CG2 THR A 243 17.256 62.463 -3.912 1.00 70.63 C +ATOM 161 N MET A 244 19.450 60.829 -1.339 1.00 65.51 N +ATOM 162 CA MET A 244 19.892 61.352 -0.052 1.00 64.75 C +ATOM 163 C MET A 244 19.727 62.859 0.027 1.00 67.28 C +ATOM 164 O MET A 244 19.970 63.570 -0.948 1.00 69.88 O +ATOM 165 CB MET A 244 21.354 60.987 0.193 1.00 63.74 C +ATOM 166 CG MET A 244 21.583 59.509 0.383 1.00 61.24 C +ATOM 167 SD MET A 244 20.719 58.905 1.832 1.00 60.02 S +ATOM 168 CE MET A 244 21.935 59.234 3.098 1.00 55.60 C +ATOM 169 N LYS A 245 19.315 63.343 1.194 1.00 67.03 N +ATOM 170 CA LYS A 245 19.118 64.771 1.391 1.00 66.74 C +ATOM 171 C LYS A 245 19.884 65.301 2.594 1.00 67.96 C +ATOM 172 O LYS A 245 20.999 64.863 2.881 1.00 70.43 O +ATOM 173 CB LYS A 245 17.628 65.083 1.547 1.00 66.80 C +ATOM 174 CG LYS A 245 16.826 64.930 0.268 1.00 68.53 C +ATOM 175 CD LYS A 245 15.367 65.268 0.504 1.00 69.73 C +ATOM 176 CE LYS A 245 14.579 65.259 -0.793 1.00 72.27 C +ATOM 177 NZ LYS A 245 13.135 65.564 -0.567 1.00 71.73 N +ATOM 178 N HIS A 246 19.272 66.250 3.293 1.00 67.70 N +ATOM 179 CA HIS A 246 19.872 66.876 4.463 1.00 68.02 C +ATOM 180 C HIS A 246 19.775 65.984 5.697 1.00 65.33 C +ATOM 181 O HIS A 246 19.018 65.011 5.713 1.00 63.74 O +ATOM 182 CB HIS A 246 19.161 68.198 4.740 1.00 71.81 C +ATOM 183 CG HIS A 246 17.680 68.052 4.906 1.00 75.53 C +ATOM 184 ND1 HIS A 246 17.115 67.376 5.966 1.00 77.95 N +ATOM 185 CD2 HIS A 246 16.651 68.455 4.124 1.00 78.35 C +ATOM 186 CE1 HIS A 246 15.800 67.369 5.829 1.00 78.87 C +ATOM 187 NE2 HIS A 246 15.493 68.016 4.720 1.00 79.65 N +ATOM 188 N LYS A 247 20.543 66.322 6.729 1.00 61.87 N +ATOM 189 CA LYS A 247 20.520 65.560 7.967 1.00 61.27 C +ATOM 190 C LYS A 247 19.179 65.815 8.632 1.00 60.24 C +ATOM 191 O LYS A 247 18.655 66.930 8.591 1.00 59.45 O +ATOM 192 CB LYS A 247 21.648 65.995 8.900 1.00 60.33 C +ATOM 193 CG LYS A 247 23.024 65.863 8.293 1.00 62.87 C +ATOM 194 CD LYS A 247 24.113 66.062 9.330 1.00 65.68 C +ATOM 195 CE LYS A 247 24.133 64.927 10.338 1.00 63.92 C +ATOM 196 NZ LYS A 247 25.293 65.045 11.268 1.00 66.62 N +ATOM 197 N LEU A 248 18.630 64.773 9.241 1.00 58.44 N +ATOM 198 CA LEU A 248 17.339 64.855 9.904 1.00 59.05 C +ATOM 199 C LEU A 248 17.397 65.620 11.223 1.00 59.56 C +ATOM 200 O LEU A 248 18.366 65.514 11.977 1.00 57.75 O +ATOM 201 CB LEU A 248 16.810 63.440 10.144 1.00 57.98 C +ATOM 202 CG LEU A 248 15.358 63.175 9.766 1.00 55.91 C +ATOM 203 CD1 LEU A 248 15.080 63.715 8.372 1.00 58.37 C +ATOM 204 CD2 LEU A 248 15.095 61.687 9.832 1.00 56.69 C +ATOM 205 N GLY A 249 16.350 66.397 11.488 1.00 62.66 N +ATOM 206 CA GLY A 249 16.273 67.164 12.720 1.00 66.14 C +ATOM 207 C GLY A 249 17.475 68.037 13.027 1.00 67.59 C +ATOM 208 O GLY A 249 17.993 68.019 14.144 1.00 68.56 O +ATOM 209 N GLY A 250 17.921 68.803 12.039 1.00 68.57 N +ATOM 210 CA GLY A 250 19.059 69.681 12.244 1.00 70.68 C +ATOM 211 C GLY A 250 20.260 69.044 12.920 1.00 69.94 C +ATOM 212 O GLY A 250 21.095 69.747 13.487 1.00 71.58 O +ATOM 213 N GLY A 251 20.346 67.717 12.877 1.00 69.04 N +ATOM 214 CA GLY A 251 21.479 67.032 13.477 1.00 63.27 C +ATOM 215 C GLY A 251 21.268 66.389 14.837 1.00 61.05 C +ATOM 216 O GLY A 251 22.176 65.729 15.346 1.00 58.23 O +ATOM 217 N GLN A 252 20.087 66.561 15.426 1.00 59.44 N +ATOM 218 CA GLN A 252 19.812 65.988 16.744 1.00 57.04 C +ATOM 219 C GLN A 252 19.933 64.465 16.802 1.00 56.80 C +ATOM 220 O GLN A 252 20.284 63.907 17.844 1.00 56.74 O +ATOM 221 CB GLN A 252 18.423 66.423 17.243 1.00 60.05 C +ATOM 222 CG GLN A 252 17.242 65.992 16.376 1.00 62.36 C +ATOM 223 CD GLN A 252 15.912 66.572 16.857 1.00 64.34 C +ATOM 224 OE1 GLN A 252 15.520 66.394 18.011 1.00 66.78 O +ATOM 225 NE2 GLN A 252 15.213 67.266 15.966 1.00 61.51 N +ATOM 226 N TYR A 253 19.661 63.788 15.690 1.00 53.49 N +ATOM 227 CA TYR A 253 19.748 62.330 15.674 1.00 51.78 C +ATOM 228 C TYR A 253 21.114 61.802 15.262 1.00 51.62 C +ATOM 229 O TYR A 253 21.383 60.608 15.365 1.00 51.47 O +ATOM 230 CB TYR A 253 18.684 61.745 14.751 1.00 48.86 C +ATOM 231 CG TYR A 253 17.281 62.111 15.155 1.00 43.94 C +ATOM 232 CD1 TYR A 253 16.601 63.148 14.524 1.00 40.72 C +ATOM 233 CD2 TYR A 253 16.635 61.427 16.183 1.00 47.98 C +ATOM 234 CE1 TYR A 253 15.306 63.495 14.905 1.00 43.42 C +ATOM 235 CE2 TYR A 253 15.344 61.767 16.574 1.00 46.35 C +ATOM 236 CZ TYR A 253 14.687 62.799 15.932 1.00 42.81 C +ATOM 237 OH TYR A 253 13.413 63.123 16.323 1.00 48.55 O +ATOM 238 N GLY A 254 21.979 62.693 14.799 1.00 53.67 N +ATOM 239 CA GLY A 254 23.299 62.270 14.381 1.00 51.94 C +ATOM 240 C GLY A 254 23.345 62.070 12.881 1.00 52.22 C +ATOM 241 O GLY A 254 22.706 62.813 12.134 1.00 51.39 O +ATOM 242 N GLU A 255 24.092 61.061 12.442 1.00 49.22 N +ATOM 243 CA GLU A 255 24.235 60.763 11.023 1.00 49.63 C +ATOM 244 C GLU A 255 22.998 60.105 10.418 1.00 48.16 C +ATOM 245 O GLU A 255 23.084 59.029 9.822 1.00 46.17 O +ATOM 246 CB GLU A 255 25.452 59.864 10.795 1.00 53.08 C +ATOM 247 CG GLU A 255 26.788 60.532 11.102 1.00 61.51 C +ATOM 248 CD GLU A 255 27.021 61.787 10.274 1.00 66.06 C +ATOM 249 OE1 GLU A 255 26.880 61.719 9.033 1.00 66.28 O +ATOM 250 OE2 GLU A 255 27.350 62.840 10.863 1.00 69.86 O +ATOM 251 N VAL A 256 21.848 60.752 10.578 1.00 43.76 N +ATOM 252 CA VAL A 256 20.605 60.238 10.024 1.00 41.44 C +ATOM 253 C VAL A 256 20.060 61.267 9.052 1.00 42.09 C +ATOM 254 O VAL A 256 19.820 62.413 9.423 1.00 43.44 O +ATOM 255 CB VAL A 256 19.565 59.973 11.120 1.00 40.49 C +ATOM 256 CG1 VAL A 256 18.282 59.446 10.489 1.00 36.23 C +ATOM 257 CG2 VAL A 256 20.120 58.966 12.128 1.00 35.69 C +ATOM 258 N TYR A 257 19.860 60.853 7.807 1.00 42.35 N +ATOM 259 CA TYR A 257 19.384 61.766 6.779 1.00 44.91 C +ATOM 260 C TYR A 257 17.996 61.465 6.244 1.00 45.99 C +ATOM 261 O TYR A 257 17.520 60.329 6.295 1.00 45.15 O +ATOM 262 CB TYR A 257 20.361 61.774 5.592 1.00 43.74 C +ATOM 263 CG TYR A 257 21.788 62.118 5.956 1.00 44.36 C +ATOM 264 CD1 TYR A 257 22.560 61.253 6.733 1.00 44.33 C +ATOM 265 CD2 TYR A 257 22.361 63.316 5.539 1.00 46.49 C +ATOM 266 CE1 TYR A 257 23.862 61.575 7.091 1.00 49.80 C +ATOM 267 CE2 TYR A 257 23.667 63.652 5.891 1.00 49.96 C +ATOM 268 CZ TYR A 257 24.410 62.780 6.670 1.00 53.56 C +ATOM 269 OH TYR A 257 25.687 63.126 7.056 1.00 56.22 O +ATOM 270 N GLU A 258 17.349 62.505 5.735 1.00 45.89 N +ATOM 271 CA GLU A 258 16.044 62.345 5.124 1.00 50.20 C +ATOM 272 C GLU A 258 16.372 61.849 3.723 1.00 49.54 C +ATOM 273 O GLU A 258 17.372 62.259 3.133 1.00 48.75 O +ATOM 274 CB GLU A 258 15.304 63.681 5.030 1.00 51.89 C +ATOM 275 CG GLU A 258 13.954 63.575 4.327 1.00 57.93 C +ATOM 276 CD GLU A 258 13.162 64.871 4.364 1.00 64.20 C +ATOM 277 OE1 GLU A 258 13.608 65.863 3.751 1.00 67.16 O +ATOM 278 OE2 GLU A 258 12.091 64.895 5.011 1.00 66.36 O +ATOM 279 N GLY A 259 15.542 60.964 3.194 1.00 50.84 N +ATOM 280 CA GLY A 259 15.795 60.449 1.867 1.00 53.70 C +ATOM 281 C GLY A 259 14.512 60.212 1.109 1.00 55.83 C +ATOM 282 O GLY A 259 13.420 60.274 1.676 1.00 56.23 O +ATOM 283 N VAL A 260 14.643 59.947 -0.184 1.00 57.31 N +ATOM 284 CA VAL A 260 13.485 59.689 -1.020 1.00 58.97 C +ATOM 285 C VAL A 260 13.676 58.371 -1.750 1.00 60.14 C +ATOM 286 O VAL A 260 14.567 58.242 -2.588 1.00 59.15 O +ATOM 287 CB VAL A 260 13.285 60.802 -2.064 1.00 59.26 C +ATOM 288 CG1 VAL A 260 11.971 60.590 -2.798 1.00 59.57 C +ATOM 289 CG2 VAL A 260 13.308 62.162 -1.385 1.00 60.54 C +ATOM 290 N TRP A 261 12.853 57.384 -1.419 1.00 60.87 N +ATOM 291 CA TRP A 261 12.949 56.099 -2.085 1.00 62.33 C +ATOM 292 C TRP A 261 12.224 56.267 -3.418 1.00 64.33 C +ATOM 293 O TRP A 261 11.043 55.944 -3.544 1.00 62.30 O +ATOM 294 CB TRP A 261 12.292 55.003 -1.243 1.00 62.64 C +ATOM 295 CG TRP A 261 12.711 53.618 -1.644 1.00 64.19 C +ATOM 296 CD1 TRP A 261 13.631 53.284 -2.598 1.00 64.54 C +ATOM 297 CD2 TRP A 261 12.244 52.382 -1.088 1.00 66.16 C +ATOM 298 NE1 TRP A 261 13.766 51.920 -2.670 1.00 65.70 N +ATOM 299 CE2 TRP A 261 12.927 51.340 -1.756 1.00 67.43 C +ATOM 300 CE3 TRP A 261 11.315 52.053 -0.093 1.00 66.69 C +ATOM 301 CZ2 TRP A 261 12.712 49.991 -1.458 1.00 67.72 C +ATOM 302 CZ3 TRP A 261 11.099 50.711 0.204 1.00 67.55 C +ATOM 303 CH2 TRP A 261 11.795 49.697 -0.479 1.00 68.98 C +ATOM 304 N LYS A 262 12.953 56.799 -4.396 1.00 67.46 N +ATOM 305 CA LYS A 262 12.450 57.065 -5.743 1.00 70.51 C +ATOM 306 C LYS A 262 11.337 56.135 -6.213 1.00 71.37 C +ATOM 307 O LYS A 262 10.214 56.571 -6.470 1.00 70.06 O +ATOM 308 CB LYS A 262 13.600 56.991 -6.748 1.00 72.64 C +ATOM 309 CG LYS A 262 14.771 57.914 -6.458 1.00 74.62 C +ATOM 310 CD LYS A 262 15.854 57.726 -7.509 1.00 76.61 C +ATOM 311 CE LYS A 262 17.029 58.656 -7.290 1.00 79.97 C +ATOM 312 NZ LYS A 262 18.071 58.461 -8.339 1.00 81.88 N +ATOM 313 N LYS A 263 11.672 54.855 -6.330 1.00 73.06 N +ATOM 314 CA LYS A 263 10.748 53.823 -6.789 1.00 75.17 C +ATOM 315 C LYS A 263 9.336 53.918 -6.208 1.00 75.34 C +ATOM 316 O LYS A 263 8.398 53.340 -6.755 1.00 75.96 O +ATOM 317 CB LYS A 263 11.337 52.444 -6.481 1.00 76.94 C +ATOM 318 CG LYS A 263 10.609 51.282 -7.132 1.00 78.96 C +ATOM 319 CD LYS A 263 11.225 49.950 -6.724 1.00 81.00 C +ATOM 320 CE LYS A 263 12.696 49.868 -7.100 1.00 82.63 C +ATOM 321 NZ LYS A 263 13.313 48.592 -6.636 1.00 83.28 N +ATOM 322 N TYR A 264 9.178 54.639 -5.102 1.00 74.56 N +ATOM 323 CA TYR A 264 7.865 54.775 -4.486 1.00 72.45 C +ATOM 324 C TYR A 264 7.554 56.210 -4.067 1.00 70.42 C +ATOM 325 O TYR A 264 6.547 56.465 -3.403 1.00 67.50 O +ATOM 326 CB TYR A 264 7.758 53.846 -3.274 1.00 76.26 C +ATOM 327 CG TYR A 264 8.166 52.418 -3.566 1.00 79.90 C +ATOM 328 CD1 TYR A 264 9.509 52.042 -3.564 1.00 82.83 C +ATOM 329 CD2 TYR A 264 7.214 51.450 -3.881 1.00 81.18 C +ATOM 330 CE1 TYR A 264 9.895 50.738 -3.870 1.00 83.07 C +ATOM 331 CE2 TYR A 264 7.588 50.143 -4.191 1.00 82.35 C +ATOM 332 CZ TYR A 264 8.930 49.794 -4.184 1.00 83.29 C +ATOM 333 OH TYR A 264 9.310 48.507 -4.499 1.00 84.17 O +ATOM 334 N SER A 265 8.411 57.146 -4.466 1.00 68.74 N +ATOM 335 CA SER A 265 8.224 58.553 -4.118 1.00 67.51 C +ATOM 336 C SER A 265 7.960 58.633 -2.618 1.00 64.13 C +ATOM 337 O SER A 265 7.168 59.452 -2.153 1.00 65.76 O +ATOM 338 CB SER A 265 7.032 59.133 -4.882 1.00 69.42 C +ATOM 339 OG SER A 265 7.171 58.920 -6.275 1.00 72.47 O +ATOM 340 N LEU A 266 8.639 57.770 -1.872 1.00 58.48 N +ATOM 341 CA LEU A 266 8.480 57.695 -0.429 1.00 53.91 C +ATOM 342 C LEU A 266 9.614 58.376 0.328 1.00 51.41 C +ATOM 343 O LEU A 266 10.793 58.124 0.062 1.00 50.02 O +ATOM 344 CB LEU A 266 8.401 56.228 -0.006 1.00 51.74 C +ATOM 345 CG LEU A 266 8.126 55.926 1.468 1.00 53.35 C +ATOM 346 CD1 LEU A 266 6.696 56.323 1.812 1.00 50.66 C +ATOM 347 CD2 LEU A 266 8.340 54.444 1.732 1.00 48.73 C +ATOM 348 N THR A 267 9.252 59.247 1.266 1.00 47.07 N +ATOM 349 CA THR A 267 10.247 59.930 2.081 1.00 44.50 C +ATOM 350 C THR A 267 10.635 58.958 3.188 1.00 41.84 C +ATOM 351 O THR A 267 9.771 58.382 3.848 1.00 40.72 O +ATOM 352 CB THR A 267 9.691 61.212 2.708 1.00 45.02 C +ATOM 353 OG1 THR A 267 9.328 62.129 1.672 1.00 46.49 O +ATOM 354 CG2 THR A 267 10.736 61.856 3.606 1.00 40.98 C +ATOM 355 N VAL A 268 11.935 58.779 3.386 1.00 37.58 N +ATOM 356 CA VAL A 268 12.429 57.849 4.387 1.00 36.97 C +ATOM 357 C VAL A 268 13.546 58.467 5.214 1.00 39.82 C +ATOM 358 O VAL A 268 14.052 59.543 4.891 1.00 39.44 O +ATOM 359 CB VAL A 268 12.996 56.566 3.717 1.00 36.94 C +ATOM 360 CG1 VAL A 268 11.950 55.938 2.803 1.00 39.02 C +ATOM 361 CG2 VAL A 268 14.248 56.907 2.925 1.00 33.41 C +ATOM 362 N ALA A 269 13.915 57.776 6.289 1.00 36.76 N +ATOM 363 CA ALA A 269 15.004 58.208 7.156 1.00 35.79 C +ATOM 364 C ALA A 269 16.121 57.206 6.899 1.00 36.85 C +ATOM 365 O ALA A 269 15.887 56.000 6.889 1.00 36.10 O +ATOM 366 CB ALA A 269 14.583 58.157 8.619 1.00 28.49 C +ATOM 367 N VAL A 270 17.332 57.702 6.686 1.00 38.68 N +ATOM 368 CA VAL A 270 18.457 56.827 6.414 1.00 39.33 C +ATOM 369 C VAL A 270 19.606 57.048 7.389 1.00 41.20 C +ATOM 370 O VAL A 270 20.265 58.088 7.367 1.00 39.20 O +ATOM 371 CB VAL A 270 18.978 57.033 4.967 1.00 41.50 C +ATOM 372 CG1 VAL A 270 20.112 56.061 4.671 1.00 44.19 C +ATOM 373 CG2 VAL A 270 17.843 56.838 3.971 1.00 40.59 C +ATOM 374 N LYS A 271 19.832 56.072 8.262 1.00 41.77 N +ATOM 375 CA LYS A 271 20.934 56.165 9.198 1.00 42.80 C +ATOM 376 C LYS A 271 22.155 55.632 8.458 1.00 48.02 C +ATOM 377 O LYS A 271 22.061 54.651 7.716 1.00 44.88 O +ATOM 378 CB LYS A 271 20.684 55.319 10.447 1.00 41.74 C +ATOM 379 CG LYS A 271 21.824 55.414 11.465 1.00 40.61 C +ATOM 380 CD LYS A 271 21.542 54.654 12.745 1.00 39.04 C +ATOM 381 CE LYS A 271 22.647 54.906 13.769 1.00 43.13 C +ATOM 382 NZ LYS A 271 22.429 54.229 15.083 1.00 41.62 N +ATOM 383 N THR A 272 23.292 56.289 8.642 1.00 50.52 N +ATOM 384 CA THR A 272 24.514 55.857 7.990 1.00 57.69 C +ATOM 385 C THR A 272 25.669 55.875 8.981 1.00 61.64 C +ATOM 386 O THR A 272 25.496 56.238 10.146 1.00 57.70 O +ATOM 387 CB THR A 272 24.858 56.749 6.786 1.00 57.28 C +ATOM 388 OG1 THR A 272 26.062 56.271 6.175 1.00 61.89 O +ATOM 389 CG2 THR A 272 25.048 58.195 7.223 1.00 59.11 C +ATOM 390 N LEU A 273 26.848 55.476 8.520 1.00 66.84 N +ATOM 391 CA LEU A 273 28.011 55.436 9.391 1.00 73.77 C +ATOM 392 C LEU A 273 29.035 56.489 8.986 1.00 78.92 C +ATOM 393 O LEU A 273 29.333 56.657 7.801 1.00 78.87 O +ATOM 394 CB LEU A 273 28.630 54.040 9.344 1.00 72.50 C +ATOM 395 CG LEU A 273 29.473 53.616 10.542 1.00 73.48 C +ATOM 396 CD1 LEU A 273 28.739 53.933 11.834 1.00 71.62 C +ATOM 397 CD2 LEU A 273 29.764 52.126 10.441 1.00 74.69 C +ATOM 398 N LYS A 274 29.566 57.202 9.976 1.00 85.21 N +ATOM 399 CA LYS A 274 30.554 58.245 9.722 1.00 91.78 C +ATOM 400 C LYS A 274 31.666 57.720 8.818 1.00 95.68 C +ATOM 401 O LYS A 274 31.762 56.518 8.568 1.00 96.61 O +ATOM 402 CB LYS A 274 31.163 58.753 11.035 1.00 91.97 C +ATOM 403 CG LYS A 274 30.158 59.196 12.091 1.00 92.15 C +ATOM 404 CD LYS A 274 29.666 58.017 12.918 1.00 92.01 C +ATOM 405 CE LYS A 274 28.856 58.484 14.115 1.00 93.16 C +ATOM 406 NZ LYS A 274 28.526 57.359 15.036 1.00 94.89 N +ATOM 407 N GLU A 275 32.507 58.630 8.339 1.00 99.49 N +ATOM 408 CA GLU A 275 33.609 58.280 7.451 1.00103.37 C +ATOM 409 C GLU A 275 34.483 57.161 8.014 1.00104.67 C +ATOM 410 O GLU A 275 35.564 57.412 8.545 1.00104.96 O +ATOM 411 CB GLU A 275 34.466 59.518 7.180 1.00105.54 C +ATOM 412 CG GLU A 275 33.665 60.798 6.942 1.00109.06 C +ATOM 413 CD GLU A 275 32.617 60.658 5.849 1.00110.66 C +ATOM 414 OE1 GLU A 275 31.646 59.893 6.041 1.00112.02 O +ATOM 415 OE2 GLU A 275 32.763 61.316 4.797 1.00111.60 O +ATOM 416 N ASP A 276 34.004 55.927 7.891 1.00106.84 N +ATOM 417 CA ASP A 276 34.727 54.755 8.374 1.00108.62 C +ATOM 418 C ASP A 276 35.102 54.870 9.850 1.00108.52 C +ATOM 419 O ASP A 276 36.228 55.235 10.189 1.00108.58 O +ATOM 420 CB ASP A 276 35.985 54.545 7.529 1.00110.36 C +ATOM 421 CG ASP A 276 35.673 54.388 6.052 1.00112.32 C +ATOM 422 OD1 ASP A 276 36.624 54.333 5.244 1.00114.19 O +ATOM 423 OD2 ASP A 276 34.476 54.318 5.699 1.00112.05 O +ATOM 424 N THR A 277 34.150 54.548 10.721 1.00108.10 N +ATOM 425 CA THR A 277 34.370 54.612 12.161 1.00107.87 C +ATOM 426 C THR A 277 34.409 53.212 12.772 1.00107.13 C +ATOM 427 O THR A 277 33.844 52.268 12.221 1.00108.80 O +ATOM 428 CB THR A 277 33.265 55.442 12.851 1.00108.53 C +ATOM 429 OG1 THR A 277 33.275 56.775 12.324 1.00108.64 O +ATOM 430 CG2 THR A 277 33.494 55.500 14.356 1.00109.10 C +ATOM 431 N MET A 278 35.078 53.094 13.914 1.00105.49 N +ATOM 432 CA MET A 278 35.227 51.822 14.617 1.00104.49 C +ATOM 433 C MET A 278 33.928 51.327 15.249 1.00102.58 C +ATOM 434 O MET A 278 33.946 50.759 16.340 1.00101.99 O +ATOM 435 CB MET A 278 36.282 51.969 15.713 1.00106.87 C +ATOM 436 CG MET A 278 37.537 52.705 15.280 1.00108.96 C +ATOM 437 SD MET A 278 38.556 53.175 16.690 1.00112.57 S +ATOM 438 CE MET A 278 37.747 54.702 17.197 1.00108.93 C +ATOM 439 N GLU A 279 32.805 51.532 14.570 1.00100.41 N +ATOM 440 CA GLU A 279 31.519 51.104 15.108 1.00 97.21 C +ATOM 441 C GLU A 279 30.730 50.224 14.150 1.00 93.50 C +ATOM 442 O GLU A 279 29.541 49.985 14.360 1.00 93.12 O +ATOM 443 CB GLU A 279 30.676 52.323 15.477 1.00100.48 C +ATOM 444 CG GLU A 279 31.311 53.221 16.520 1.00104.42 C +ATOM 445 CD GLU A 279 30.496 54.471 16.773 1.00107.14 C +ATOM 446 OE1 GLU A 279 30.300 55.255 15.820 1.00108.12 O +ATOM 447 OE2 GLU A 279 30.050 54.667 17.924 1.00109.40 O +ATOM 448 N VAL A 280 31.389 49.744 13.102 1.00 88.61 N +ATOM 449 CA VAL A 280 30.730 48.892 12.121 1.00 84.21 C +ATOM 450 C VAL A 280 30.077 47.691 12.796 1.00 81.38 C +ATOM 451 O VAL A 280 28.927 47.354 12.513 1.00 81.23 O +ATOM 452 CB VAL A 280 31.731 48.383 11.065 1.00 83.29 C +ATOM 453 CG1 VAL A 280 31.025 47.472 10.077 1.00 82.30 C +ATOM 454 CG2 VAL A 280 32.361 49.562 10.341 1.00 83.12 C +ATOM 455 N GLU A 281 30.817 47.056 13.696 1.00 77.19 N +ATOM 456 CA GLU A 281 30.320 45.890 14.412 1.00 74.61 C +ATOM 457 C GLU A 281 28.995 46.170 15.115 1.00 71.94 C +ATOM 458 O GLU A 281 28.087 45.340 15.101 1.00 69.85 O +ATOM 459 CB GLU A 281 31.364 45.429 15.434 1.00 78.87 C +ATOM 460 CG GLU A 281 30.971 44.193 16.225 1.00 83.08 C +ATOM 461 CD GLU A 281 30.569 43.035 15.331 1.00 87.75 C +ATOM 462 OE1 GLU A 281 31.338 42.699 14.405 1.00 89.34 O +ATOM 463 OE2 GLU A 281 29.484 42.459 15.556 1.00 90.59 O +ATOM 464 N GLU A 282 28.886 47.343 15.729 1.00 68.51 N +ATOM 465 CA GLU A 282 27.671 47.709 16.442 1.00 65.04 C +ATOM 466 C GLU A 282 26.552 48.050 15.463 1.00 62.24 C +ATOM 467 O GLU A 282 25.398 47.667 15.660 1.00 58.75 O +ATOM 468 CB GLU A 282 27.936 48.905 17.358 1.00 66.22 C +ATOM 469 CG GLU A 282 27.076 48.896 18.606 1.00 71.71 C +ATOM 470 CD GLU A 282 27.249 47.612 19.405 1.00 74.81 C +ATOM 471 OE1 GLU A 282 28.397 47.315 19.803 1.00 73.26 O +ATOM 472 OE2 GLU A 282 26.244 46.900 19.631 1.00 74.49 O +ATOM 473 N PHE A 283 26.911 48.770 14.407 1.00 58.85 N +ATOM 474 CA PHE A 283 25.960 49.175 13.384 1.00 57.27 C +ATOM 475 C PHE A 283 25.299 47.930 12.788 1.00 59.11 C +ATOM 476 O PHE A 283 24.072 47.798 12.798 1.00 57.92 O +ATOM 477 CB PHE A 283 26.688 49.957 12.291 1.00 54.32 C +ATOM 478 CG PHE A 283 25.777 50.578 11.276 1.00 55.65 C +ATOM 479 CD1 PHE A 283 25.266 51.856 11.470 1.00 56.26 C +ATOM 480 CD2 PHE A 283 25.428 49.885 10.122 1.00 56.39 C +ATOM 481 CE1 PHE A 283 24.421 52.440 10.527 1.00 57.86 C +ATOM 482 CE2 PHE A 283 24.582 50.455 9.172 1.00 57.75 C +ATOM 483 CZ PHE A 283 24.078 51.736 9.374 1.00 56.56 C +ATOM 484 N LEU A 284 26.119 47.015 12.278 1.00 57.97 N +ATOM 485 CA LEU A 284 25.608 45.789 11.683 1.00 56.43 C +ATOM 486 C LEU A 284 24.746 44.988 12.649 1.00 53.73 C +ATOM 487 O LEU A 284 23.787 44.344 12.231 1.00 53.01 O +ATOM 488 CB LEU A 284 26.756 44.918 11.167 1.00 56.46 C +ATOM 489 CG LEU A 284 27.179 45.134 9.710 1.00 60.06 C +ATOM 490 CD1 LEU A 284 27.690 46.550 9.510 1.00 63.96 C +ATOM 491 CD2 LEU A 284 28.256 44.125 9.349 1.00 63.47 C +ATOM 492 N LYS A 285 25.076 45.028 13.936 1.00 50.01 N +ATOM 493 CA LYS A 285 24.290 44.291 14.920 1.00 50.13 C +ATOM 494 C LYS A 285 22.896 44.895 15.080 1.00 48.51 C +ATOM 495 O LYS A 285 21.926 44.179 15.351 1.00 45.48 O +ATOM 496 CB LYS A 285 24.987 44.271 16.282 1.00 53.64 C +ATOM 497 CG LYS A 285 24.178 43.527 17.338 1.00 59.24 C +ATOM 498 CD LYS A 285 24.916 43.371 18.656 1.00 63.43 C +ATOM 499 CE LYS A 285 24.130 42.457 19.594 1.00 66.18 C +ATOM 500 NZ LYS A 285 24.848 42.170 20.868 1.00 67.20 N +ATOM 501 N GLU A 286 22.803 46.214 14.922 1.00 46.42 N +ATOM 502 CA GLU A 286 21.524 46.906 15.044 1.00 43.23 C +ATOM 503 C GLU A 286 20.647 46.456 13.885 1.00 41.75 C +ATOM 504 O GLU A 286 19.487 46.081 14.068 1.00 39.37 O +ATOM 505 CB GLU A 286 21.718 48.422 14.968 1.00 45.84 C +ATOM 506 CG GLU A 286 20.487 49.204 15.395 1.00 48.48 C +ATOM 507 CD GLU A 286 20.604 50.692 15.147 1.00 48.38 C +ATOM 508 OE1 GLU A 286 21.742 51.204 15.070 1.00 54.00 O +ATOM 509 OE2 GLU A 286 19.551 51.355 15.043 1.00 46.58 O +ATOM 510 N ALA A 287 21.229 46.505 12.692 1.00 40.04 N +ATOM 511 CA ALA A 287 20.555 46.106 11.468 1.00 43.54 C +ATOM 512 C ALA A 287 19.992 44.691 11.594 1.00 43.53 C +ATOM 513 O ALA A 287 18.834 44.448 11.257 1.00 43.63 O +ATOM 514 CB ALA A 287 21.528 46.185 10.299 1.00 40.83 C +ATOM 515 N ALA A 288 20.810 43.767 12.093 1.00 39.76 N +ATOM 516 CA ALA A 288 20.389 42.379 12.256 1.00 41.18 C +ATOM 517 C ALA A 288 19.234 42.281 13.239 1.00 41.57 C +ATOM 518 O ALA A 288 18.293 41.508 13.041 1.00 40.79 O +ATOM 519 CB ALA A 288 21.561 41.525 12.742 1.00 42.62 C +ATOM 520 N VAL A 289 19.318 43.065 14.308 1.00 41.14 N +ATOM 521 CA VAL A 289 18.285 43.085 15.329 1.00 40.67 C +ATOM 522 C VAL A 289 16.953 43.579 14.765 1.00 38.56 C +ATOM 523 O VAL A 289 15.903 43.020 15.066 1.00 39.21 O +ATOM 524 CB VAL A 289 18.707 43.995 16.502 1.00 46.12 C +ATOM 525 CG1 VAL A 289 17.520 44.285 17.407 1.00 45.06 C +ATOM 526 CG2 VAL A 289 19.814 43.321 17.290 1.00 49.75 C +ATOM 527 N MET A 290 17.004 44.621 13.941 1.00 36.17 N +ATOM 528 CA MET A 290 15.794 45.198 13.359 1.00 37.51 C +ATOM 529 C MET A 290 15.089 44.287 12.356 1.00 39.07 C +ATOM 530 O MET A 290 13.885 44.419 12.112 1.00 35.14 O +ATOM 531 CB MET A 290 16.127 46.535 12.701 1.00 33.63 C +ATOM 532 CG MET A 290 16.531 47.613 13.704 1.00 36.33 C +ATOM 533 SD MET A 290 16.980 49.135 12.889 1.00 39.96 S +ATOM 534 CE MET A 290 18.684 48.806 12.519 1.00 51.96 C +ATOM 535 N LYS A 291 15.846 43.365 11.775 1.00 36.43 N +ATOM 536 CA LYS A 291 15.300 42.431 10.814 1.00 36.81 C +ATOM 537 C LYS A 291 14.493 41.367 11.541 1.00 39.17 C +ATOM 538 O LYS A 291 13.707 40.654 10.925 1.00 41.19 O +ATOM 539 CB LYS A 291 16.433 41.759 10.034 1.00 34.17 C +ATOM 540 CG LYS A 291 17.275 42.705 9.206 1.00 33.05 C +ATOM 541 CD LYS A 291 18.438 41.964 8.574 1.00 35.08 C +ATOM 542 CE LYS A 291 19.265 42.882 7.693 1.00 36.71 C +ATOM 543 NZ LYS A 291 20.480 42.180 7.195 1.00 37.23 N +ATOM 544 N GLU A 292 14.688 41.272 12.854 1.00 41.09 N +ATOM 545 CA GLU A 292 14.014 40.271 13.674 1.00 44.08 C +ATOM 546 C GLU A 292 12.728 40.757 14.327 1.00 46.84 C +ATOM 547 O GLU A 292 12.006 39.968 14.937 1.00 44.93 O +ATOM 548 CB GLU A 292 14.956 39.782 14.781 1.00 51.61 C +ATOM 549 CG GLU A 292 16.395 39.578 14.333 1.00 61.83 C +ATOM 550 CD GLU A 292 16.547 38.442 13.343 1.00 70.84 C +ATOM 551 OE1 GLU A 292 17.569 38.419 12.621 1.00 74.11 O +ATOM 552 OE2 GLU A 292 15.652 37.568 13.296 1.00 73.85 O +ATOM 553 N ILE A 293 12.433 42.047 14.221 1.00 45.34 N +ATOM 554 CA ILE A 293 11.224 42.549 14.854 1.00 43.04 C +ATOM 555 C ILE A 293 10.281 43.289 13.921 1.00 39.79 C +ATOM 556 O ILE A 293 10.700 43.964 12.982 1.00 41.36 O +ATOM 557 CB ILE A 293 11.572 43.447 16.073 1.00 44.39 C +ATOM 558 CG1 ILE A 293 12.469 44.606 15.649 1.00 42.85 C +ATOM 559 CG2 ILE A 293 12.283 42.617 17.136 1.00 43.52 C +ATOM 560 CD1 ILE A 293 13.039 45.400 16.830 1.00 38.44 C +ATOM 561 N LYS A 294 8.992 43.131 14.177 1.00 38.02 N +ATOM 562 CA LYS A 294 7.971 43.784 13.378 1.00 38.05 C +ATOM 563 C LYS A 294 6.726 43.914 14.232 1.00 37.49 C +ATOM 564 O LYS A 294 6.274 42.954 14.849 1.00 41.54 O +ATOM 565 CB LYS A 294 7.655 42.972 12.121 1.00 39.82 C +ATOM 566 CG LYS A 294 6.631 43.639 11.217 1.00 47.36 C +ATOM 567 CD LYS A 294 6.320 42.805 9.988 1.00 53.53 C +ATOM 568 CE LYS A 294 5.334 43.533 9.081 1.00 59.69 C +ATOM 569 NZ LYS A 294 4.940 42.705 7.902 1.00 65.62 N +ATOM 570 N HIS A 295 6.178 45.117 14.260 1.00 39.05 N +ATOM 571 CA HIS A 295 4.997 45.406 15.052 1.00 36.19 C +ATOM 572 C HIS A 295 4.506 46.778 14.604 1.00 36.03 C +ATOM 573 O HIS A 295 5.309 47.658 14.285 1.00 34.30 O +ATOM 574 CB HIS A 295 5.381 45.406 16.534 1.00 33.78 C +ATOM 575 CG HIS A 295 4.229 45.620 17.464 1.00 39.38 C +ATOM 576 ND1 HIS A 295 3.714 46.870 17.737 1.00 35.33 N +ATOM 577 CD2 HIS A 295 3.500 44.744 18.194 1.00 35.39 C +ATOM 578 CE1 HIS A 295 2.722 46.755 18.601 1.00 34.05 C +ATOM 579 NE2 HIS A 295 2.572 45.476 18.894 1.00 35.13 N +ATOM 580 N PRO A 296 3.178 46.976 14.561 1.00 38.60 N +ATOM 581 CA PRO A 296 2.626 48.266 14.136 1.00 34.76 C +ATOM 582 C PRO A 296 3.129 49.462 14.933 1.00 31.90 C +ATOM 583 O PRO A 296 3.106 50.585 14.435 1.00 29.90 O +ATOM 584 CB PRO A 296 1.117 48.063 14.279 1.00 34.42 C +ATOM 585 CG PRO A 296 1.016 47.064 15.393 1.00 40.77 C +ATOM 586 CD PRO A 296 2.106 46.080 15.036 1.00 36.24 C +ATOM 587 N ASN A 297 3.585 49.233 16.160 1.00 28.46 N +ATOM 588 CA ASN A 297 4.067 50.349 16.959 1.00 31.31 C +ATOM 589 C ASN A 297 5.577 50.390 17.213 1.00 31.59 C +ATOM 590 O ASN A 297 6.038 50.962 18.201 1.00 29.62 O +ATOM 591 CB ASN A 297 3.282 50.437 18.270 1.00 30.26 C +ATOM 592 CG ASN A 297 1.792 50.647 18.031 1.00 35.25 C +ATOM 593 OD1 ASN A 297 0.991 49.727 18.183 1.00 33.42 O +ATOM 594 ND2 ASN A 297 1.420 51.858 17.632 1.00 30.25 N +ATOM 595 N LEU A 298 6.337 49.775 16.309 1.00 31.76 N +ATOM 596 CA LEU A 298 7.794 49.804 16.369 1.00 30.17 C +ATOM 597 C LEU A 298 8.206 50.358 15.014 1.00 29.35 C +ATOM 598 O LEU A 298 7.685 49.925 13.984 1.00 31.76 O +ATOM 599 CB LEU A 298 8.383 48.402 16.589 1.00 34.10 C +ATOM 600 CG LEU A 298 8.334 47.914 18.044 1.00 37.93 C +ATOM 601 CD1 LEU A 298 8.761 46.461 18.142 1.00 44.49 C +ATOM 602 CD2 LEU A 298 9.250 48.790 18.891 1.00 42.06 C +ATOM 603 N VAL A 299 9.117 51.327 15.007 1.00 29.86 N +ATOM 604 CA VAL A 299 9.558 51.926 13.752 1.00 29.74 C +ATOM 605 C VAL A 299 9.880 50.799 12.788 1.00 32.64 C +ATOM 606 O VAL A 299 10.553 49.836 13.143 1.00 34.18 O +ATOM 607 CB VAL A 299 10.795 52.843 13.957 1.00 31.93 C +ATOM 608 CG1 VAL A 299 11.989 52.026 14.440 1.00 31.67 C +ATOM 609 CG2 VAL A 299 11.107 53.575 12.656 1.00 27.08 C +ATOM 610 N GLN A 300 9.395 50.918 11.561 1.00 36.89 N +ATOM 611 CA GLN A 300 9.581 49.858 10.586 1.00 34.35 C +ATOM 612 C GLN A 300 10.818 49.908 9.702 1.00 32.38 C +ATOM 613 O GLN A 300 11.059 50.888 9.002 1.00 28.78 O +ATOM 614 CB GLN A 300 8.329 49.783 9.711 1.00 38.24 C +ATOM 615 CG GLN A 300 8.360 48.722 8.633 1.00 45.76 C +ATOM 616 CD GLN A 300 7.021 48.608 7.920 1.00 58.64 C +ATOM 617 OE1 GLN A 300 6.469 49.605 7.438 1.00 54.86 O +ATOM 618 NE2 GLN A 300 6.489 47.390 7.851 1.00 62.71 N +ATOM 619 N LEU A 301 11.593 48.829 9.740 1.00 32.68 N +ATOM 620 CA LEU A 301 12.781 48.700 8.904 1.00 33.23 C +ATOM 621 C LEU A 301 12.273 48.546 7.473 1.00 36.25 C +ATOM 622 O LEU A 301 11.344 47.774 7.223 1.00 31.07 O +ATOM 623 CB LEU A 301 13.568 47.440 9.281 1.00 31.96 C +ATOM 624 CG LEU A 301 14.695 47.059 8.314 1.00 33.28 C +ATOM 625 CD1 LEU A 301 15.826 48.077 8.434 1.00 33.89 C +ATOM 626 CD2 LEU A 301 15.203 45.651 8.625 1.00 32.55 C +ATOM 627 N LEU A 302 12.865 49.278 6.534 1.00 35.26 N +ATOM 628 CA LEU A 302 12.447 49.163 5.145 1.00 35.73 C +ATOM 629 C LEU A 302 13.531 48.497 4.301 1.00 39.80 C +ATOM 630 O LEU A 302 13.247 47.912 3.254 1.00 37.37 O +ATOM 631 CB LEU A 302 12.102 50.539 4.566 1.00 34.10 C +ATOM 632 CG LEU A 302 10.853 51.207 5.153 1.00 34.54 C +ATOM 633 CD1 LEU A 302 10.554 52.502 4.403 1.00 32.15 C +ATOM 634 CD2 LEU A 302 9.665 50.252 5.042 1.00 36.35 C +ATOM 635 N GLY A 303 14.772 48.574 4.768 1.00 37.46 N +ATOM 636 CA GLY A 303 15.866 47.972 4.030 1.00 39.94 C +ATOM 637 C GLY A 303 17.224 48.400 4.541 1.00 42.93 C +ATOM 638 O GLY A 303 17.325 49.295 5.386 1.00 39.55 O +ATOM 639 N VAL A 304 18.269 47.755 4.031 1.00 43.17 N +ATOM 640 CA VAL A 304 19.635 48.070 4.429 1.00 45.73 C +ATOM 641 C VAL A 304 20.589 48.085 3.239 1.00 47.37 C +ATOM 642 O VAL A 304 20.256 47.628 2.146 1.00 46.95 O +ATOM 643 CB VAL A 304 20.183 47.049 5.450 1.00 43.53 C +ATOM 644 CG1 VAL A 304 19.294 47.005 6.674 1.00 46.51 C +ATOM 645 CG2 VAL A 304 20.291 45.667 4.801 1.00 46.43 C +ATOM 646 N CYS A 305 21.775 48.635 3.470 1.00 48.86 N +ATOM 647 CA CYS A 305 22.835 48.708 2.468 1.00 52.92 C +ATOM 648 C CYS A 305 24.108 48.473 3.260 1.00 54.98 C +ATOM 649 O CYS A 305 24.899 49.390 3.469 1.00 53.49 O +ATOM 650 CB CYS A 305 22.891 50.089 1.811 1.00 55.07 C +ATOM 651 SG CYS A 305 21.479 50.532 0.770 1.00 53.92 S +ATOM 652 N THR A 306 24.274 47.240 3.728 1.00 58.21 N +ATOM 653 CA THR A 306 25.433 46.859 4.521 1.00 63.84 C +ATOM 654 C THR A 306 26.261 45.825 3.773 1.00 69.89 C +ATOM 655 O THR A 306 26.799 44.885 4.363 1.00 69.00 O +ATOM 656 CB THR A 306 25.009 46.274 5.878 1.00 61.24 C +ATOM 657 OG1 THR A 306 24.179 45.127 5.665 1.00 62.30 O +ATOM 658 CG2 THR A 306 24.239 47.308 6.683 1.00 60.57 C +ATOM 659 N ARG A 307 26.350 46.011 2.463 1.00 74.98 N +ATOM 660 CA ARG A 307 27.113 45.122 1.604 1.00 81.68 C +ATOM 661 C ARG A 307 28.464 45.796 1.389 1.00 83.80 C +ATOM 662 O ARG A 307 29.518 45.163 1.466 1.00 83.37 O +ATOM 663 CB ARG A 307 26.389 44.955 0.264 1.00 85.14 C +ATOM 664 CG ARG A 307 26.952 43.877 -0.649 1.00 91.42 C +ATOM 665 CD ARG A 307 26.429 42.492 -0.289 1.00 95.61 C +ATOM 666 NE ARG A 307 26.811 42.080 1.059 1.00 99.22 N +ATOM 667 CZ ARG A 307 26.543 40.885 1.576 1.00100.78 C +ATOM 668 NH1 ARG A 307 25.890 39.980 0.857 1.00100.95 N +ATOM 669 NH2 ARG A 307 26.932 40.591 2.810 1.00101.65 N +ATOM 670 N GLU A 308 28.410 47.100 1.136 1.00 84.91 N +ATOM 671 CA GLU A 308 29.600 47.903 0.893 1.00 85.91 C +ATOM 672 C GLU A 308 29.396 49.283 1.505 1.00 84.27 C +ATOM 673 O GLU A 308 28.294 49.826 1.470 1.00 83.82 O +ATOM 674 CB GLU A 308 29.816 48.060 -0.612 1.00 88.44 C +ATOM 675 CG GLU A 308 29.669 46.773 -1.402 1.00 94.47 C +ATOM 676 CD GLU A 308 29.243 47.025 -2.835 1.00 98.64 C +ATOM 677 OE1 GLU A 308 28.166 47.630 -3.031 1.00100.43 O +ATOM 678 OE2 GLU A 308 29.980 46.620 -3.760 1.00100.21 O +ATOM 679 N PRO A 309 30.455 49.866 2.085 1.00 82.20 N +ATOM 680 CA PRO A 309 30.322 51.198 2.685 1.00 79.18 C +ATOM 681 C PRO A 309 29.982 52.224 1.599 1.00 74.74 C +ATOM 682 O PRO A 309 30.333 52.034 0.435 1.00 73.53 O +ATOM 683 CB PRO A 309 31.702 51.437 3.293 1.00 79.98 C +ATOM 684 CG PRO A 309 32.149 50.048 3.655 1.00 81.49 C +ATOM 685 CD PRO A 309 31.753 49.261 2.430 1.00 81.87 C +ATOM 686 N PRO A 310 29.280 53.314 1.959 1.00 71.89 N +ATOM 687 CA PRO A 310 28.777 53.671 3.293 1.00 68.73 C +ATOM 688 C PRO A 310 27.537 52.853 3.646 1.00 65.13 C +ATOM 689 O PRO A 310 26.596 52.770 2.858 1.00 64.84 O +ATOM 690 CB PRO A 310 28.444 55.160 3.156 1.00 69.64 C +ATOM 691 CG PRO A 310 29.257 55.611 1.974 1.00 72.03 C +ATOM 692 CD PRO A 310 29.123 54.449 1.038 1.00 71.40 C +ATOM 693 N PHE A 311 27.528 52.264 4.834 1.00 60.80 N +ATOM 694 CA PHE A 311 26.394 51.455 5.256 1.00 58.88 C +ATOM 695 C PHE A 311 25.128 52.270 5.519 1.00 55.00 C +ATOM 696 O PHE A 311 25.180 53.384 6.047 1.00 51.84 O +ATOM 697 CB PHE A 311 26.774 50.645 6.498 1.00 61.48 C +ATOM 698 CG PHE A 311 27.854 49.626 6.246 1.00 66.39 C +ATOM 699 CD1 PHE A 311 28.484 48.984 7.307 1.00 68.62 C +ATOM 700 CD2 PHE A 311 28.243 49.308 4.948 1.00 69.06 C +ATOM 701 CE1 PHE A 311 29.488 48.042 7.078 1.00 69.33 C +ATOM 702 CE2 PHE A 311 29.244 48.369 4.709 1.00 71.13 C +ATOM 703 CZ PHE A 311 29.867 47.735 5.778 1.00 69.02 C +ATOM 704 N TYR A 312 23.992 51.695 5.134 1.00 50.78 N +ATOM 705 CA TYR A 312 22.686 52.324 5.308 1.00 45.58 C +ATOM 706 C TYR A 312 21.700 51.433 6.059 1.00 46.07 C +ATOM 707 O TYR A 312 21.755 50.206 5.971 1.00 43.96 O +ATOM 708 CB TYR A 312 22.033 52.616 3.953 1.00 46.09 C +ATOM 709 CG TYR A 312 22.559 53.778 3.147 1.00 43.06 C +ATOM 710 CD1 TYR A 312 21.987 54.085 1.912 1.00 46.04 C +ATOM 711 CD2 TYR A 312 23.607 54.573 3.602 1.00 46.12 C +ATOM 712 CE1 TYR A 312 22.440 55.154 1.149 1.00 49.30 C +ATOM 713 CE2 TYR A 312 24.074 55.652 2.839 1.00 47.40 C +ATOM 714 CZ TYR A 312 23.483 55.933 1.617 1.00 51.68 C +ATOM 715 OH TYR A 312 23.929 56.990 0.854 1.00 59.35 O +ATOM 716 N ILE A 313 20.799 52.067 6.803 1.00 44.59 N +ATOM 717 CA ILE A 313 19.714 51.367 7.479 1.00 38.94 C +ATOM 718 C ILE A 313 18.563 52.313 7.219 1.00 40.63 C +ATOM 719 O ILE A 313 18.564 53.451 7.694 1.00 40.12 O +ATOM 720 CB ILE A 313 19.887 51.209 8.994 1.00 36.35 C +ATOM 721 CG1 ILE A 313 20.972 50.183 9.299 1.00 30.56 C +ATOM 722 CG2 ILE A 313 18.583 50.682 9.602 1.00 32.34 C +ATOM 723 CD1 ILE A 313 21.190 49.984 10.767 1.00 28.65 C +ATOM 724 N ILE A 314 17.597 51.846 6.440 1.00 37.19 N +ATOM 725 CA ILE A 314 16.456 52.663 6.076 1.00 36.89 C +ATOM 726 C ILE A 314 15.172 52.234 6.776 1.00 36.98 C +ATOM 727 O ILE A 314 14.820 51.051 6.792 1.00 34.48 O +ATOM 728 CB ILE A 314 16.218 52.622 4.545 1.00 35.83 C +ATOM 729 CG1 ILE A 314 17.507 52.973 3.797 1.00 38.96 C +ATOM 730 CG2 ILE A 314 15.133 53.611 4.149 1.00 30.95 C +ATOM 731 CD1 ILE A 314 18.236 51.777 3.233 1.00 42.05 C +ATOM 732 N THR A 315 14.488 53.206 7.369 1.00 37.45 N +ATOM 733 CA THR A 315 13.210 52.957 8.030 1.00 36.03 C +ATOM 734 C THR A 315 12.233 54.002 7.501 1.00 36.77 C +ATOM 735 O THR A 315 12.615 54.909 6.754 1.00 33.63 O +ATOM 736 CB THR A 315 13.279 53.135 9.552 1.00 34.61 C +ATOM 737 OG1 THR A 315 13.462 54.521 9.857 1.00 32.38 O +ATOM 738 CG2 THR A 315 14.424 52.319 10.148 1.00 36.12 C +ATOM 739 N GLU A 316 10.973 53.869 7.892 1.00 36.95 N +ATOM 740 CA GLU A 316 9.944 54.814 7.482 1.00 39.64 C +ATOM 741 C GLU A 316 10.248 56.164 8.125 1.00 38.83 C +ATOM 742 O GLU A 316 11.021 56.249 9.081 1.00 36.84 O +ATOM 743 CB GLU A 316 8.572 54.332 7.956 1.00 35.62 C +ATOM 744 CG GLU A 316 8.556 53.959 9.436 1.00 44.15 C +ATOM 745 CD GLU A 316 7.176 53.574 9.943 1.00 48.29 C +ATOM 746 OE1 GLU A 316 7.102 52.730 10.861 1.00 45.12 O +ATOM 747 OE2 GLU A 316 6.171 54.120 9.434 1.00 46.43 O +ATOM 748 N PHE A 317 9.638 57.215 7.592 1.00 40.75 N +ATOM 749 CA PHE A 317 9.810 58.560 8.125 1.00 43.41 C +ATOM 750 C PHE A 317 8.487 58.898 8.805 1.00 42.73 C +ATOM 751 O PHE A 317 7.425 58.773 8.195 1.00 44.97 O +ATOM 752 CB PHE A 317 10.083 59.558 6.990 1.00 43.36 C +ATOM 753 CG PHE A 317 10.260 60.978 7.456 1.00 47.40 C +ATOM 754 CD1 PHE A 317 11.443 61.384 8.067 1.00 49.36 C +ATOM 755 CD2 PHE A 317 9.234 61.907 7.306 1.00 47.67 C +ATOM 756 CE1 PHE A 317 11.602 62.696 8.523 1.00 49.52 C +ATOM 757 CE2 PHE A 317 9.384 63.220 7.759 1.00 46.05 C +ATOM 758 CZ PHE A 317 10.570 63.613 8.369 1.00 45.20 C +ATOM 759 N MET A 318 8.543 59.313 10.066 1.00 42.01 N +ATOM 760 CA MET A 318 7.324 59.654 10.793 1.00 37.92 C +ATOM 761 C MET A 318 7.109 61.159 10.734 1.00 39.19 C +ATOM 762 O MET A 318 7.885 61.936 11.295 1.00 34.76 O +ATOM 763 CB MET A 318 7.428 59.182 12.239 1.00 40.54 C +ATOM 764 CG MET A 318 7.673 57.686 12.379 1.00 47.22 C +ATOM 765 SD MET A 318 6.231 56.697 11.970 1.00 51.11 S +ATOM 766 CE MET A 318 5.201 57.012 13.414 1.00 47.41 C +ATOM 767 N THR A 319 6.036 61.551 10.055 1.00 37.84 N +ATOM 768 CA THR A 319 5.680 62.949 9.846 1.00 40.01 C +ATOM 769 C THR A 319 5.893 63.960 10.968 1.00 36.83 C +ATOM 770 O THR A 319 6.470 65.017 10.728 1.00 38.09 O +ATOM 771 CB THR A 319 4.211 63.071 9.369 1.00 40.70 C +ATOM 772 OG1 THR A 319 4.063 62.370 8.129 1.00 46.49 O +ATOM 773 CG2 THR A 319 3.830 64.536 9.148 1.00 39.92 C +ATOM 774 N TYR A 320 5.442 63.657 12.184 1.00 34.84 N +ATOM 775 CA TYR A 320 5.573 64.625 13.275 1.00 35.68 C +ATOM 776 C TYR A 320 6.790 64.536 14.193 1.00 33.49 C +ATOM 777 O TYR A 320 6.834 65.188 15.230 1.00 32.24 O +ATOM 778 CB TYR A 320 4.289 64.635 14.114 1.00 38.03 C +ATOM 779 CG TYR A 320 3.074 65.033 13.307 1.00 40.26 C +ATOM 780 CD1 TYR A 320 2.205 64.071 12.805 1.00 43.64 C +ATOM 781 CD2 TYR A 320 2.838 66.369 12.983 1.00 44.06 C +ATOM 782 CE1 TYR A 320 1.129 64.424 11.992 1.00 50.14 C +ATOM 783 CE2 TYR A 320 1.765 66.738 12.169 1.00 48.80 C +ATOM 784 CZ TYR A 320 0.917 65.758 11.678 1.00 51.39 C +ATOM 785 OH TYR A 320 -0.134 66.103 10.862 1.00 60.07 O +ATOM 786 N GLY A 321 7.772 63.727 13.823 1.00 32.07 N +ATOM 787 CA GLY A 321 8.977 63.636 14.629 1.00 32.17 C +ATOM 788 C GLY A 321 8.889 62.915 15.957 1.00 31.09 C +ATOM 789 O GLY A 321 7.975 62.120 16.195 1.00 31.74 O +ATOM 790 N ASN A 322 9.845 63.203 16.835 1.00 33.28 N +ATOM 791 CA ASN A 322 9.907 62.541 18.135 1.00 30.98 C +ATOM 792 C ASN A 322 8.812 62.999 19.088 1.00 30.73 C +ATOM 793 O ASN A 322 8.394 64.155 19.062 1.00 29.15 O +ATOM 794 CB ASN A 322 11.303 62.725 18.756 1.00 32.64 C +ATOM 795 CG ASN A 322 11.506 64.097 19.372 1.00 28.88 C +ATOM 796 OD1 ASN A 322 11.051 64.361 20.481 1.00 34.28 O +ATOM 797 ND2 ASN A 322 12.194 64.975 18.654 1.00 29.47 N +ATOM 798 N LEU A 323 8.349 62.068 19.922 1.00 31.92 N +ATOM 799 CA LEU A 323 7.278 62.318 20.876 1.00 29.50 C +ATOM 800 C LEU A 323 7.539 63.420 21.895 1.00 32.60 C +ATOM 801 O LEU A 323 6.629 64.178 22.234 1.00 31.46 O +ATOM 802 CB LEU A 323 6.926 61.026 21.618 1.00 27.79 C +ATOM 803 CG LEU A 323 5.769 61.120 22.622 1.00 29.00 C +ATOM 804 CD1 LEU A 323 4.475 61.475 21.901 1.00 24.70 C +ATOM 805 CD2 LEU A 323 5.626 59.798 23.359 1.00 30.34 C +ATOM 806 N LEU A 324 8.769 63.515 22.393 1.00 32.28 N +ATOM 807 CA LEU A 324 9.081 64.539 23.382 1.00 29.65 C +ATOM 808 C LEU A 324 8.743 65.945 22.872 1.00 31.92 C +ATOM 809 O LEU A 324 7.979 66.679 23.514 1.00 31.46 O +ATOM 810 CB LEU A 324 10.560 64.467 23.786 1.00 32.57 C +ATOM 811 CG LEU A 324 10.979 65.410 24.924 1.00 31.99 C +ATOM 812 CD1 LEU A 324 10.023 65.258 26.114 1.00 27.01 C +ATOM 813 CD2 LEU A 324 12.416 65.094 25.339 1.00 28.73 C +ATOM 814 N ASP A 325 9.296 66.321 21.723 1.00 27.40 N +ATOM 815 CA ASP A 325 9.012 67.641 21.177 1.00 37.16 C +ATOM 816 C ASP A 325 7.554 67.764 20.727 1.00 35.39 C +ATOM 817 O ASP A 325 6.966 68.841 20.820 1.00 35.86 O +ATOM 818 CB ASP A 325 9.949 67.965 20.005 1.00 35.98 C +ATOM 819 CG ASP A 325 11.405 68.046 20.434 1.00 41.86 C +ATOM 820 OD1 ASP A 325 11.660 68.381 21.608 1.00 42.47 O +ATOM 821 OD2 ASP A 325 12.294 67.787 19.597 1.00 46.46 O +ATOM 822 N TYR A 326 6.968 66.670 20.243 1.00 33.68 N +ATOM 823 CA TYR A 326 5.578 66.720 19.808 1.00 30.58 C +ATOM 824 C TYR A 326 4.690 67.124 20.985 1.00 31.75 C +ATOM 825 O TYR A 326 3.853 68.021 20.864 1.00 31.20 O +ATOM 826 CB TYR A 326 5.123 65.367 19.269 1.00 33.28 C +ATOM 827 CG TYR A 326 3.677 65.356 18.810 1.00 35.76 C +ATOM 828 CD1 TYR A 326 3.302 65.950 17.603 1.00 37.96 C +ATOM 829 CD2 TYR A 326 2.679 64.779 19.598 1.00 37.37 C +ATOM 830 CE1 TYR A 326 1.961 65.972 17.192 1.00 42.13 C +ATOM 831 CE2 TYR A 326 1.335 64.794 19.196 1.00 40.29 C +ATOM 832 CZ TYR A 326 0.986 65.395 17.995 1.00 41.42 C +ATOM 833 OH TYR A 326 -0.337 65.445 17.613 1.00 50.11 O +ATOM 834 N LEU A 327 4.888 66.474 22.127 1.00 30.34 N +ATOM 835 CA LEU A 327 4.094 66.767 23.313 1.00 33.30 C +ATOM 836 C LEU A 327 4.250 68.209 23.781 1.00 35.04 C +ATOM 837 O LEU A 327 3.290 68.817 24.255 1.00 32.74 O +ATOM 838 CB LEU A 327 4.474 65.827 24.461 1.00 36.35 C +ATOM 839 CG LEU A 327 4.021 64.367 24.415 1.00 35.86 C +ATOM 840 CD1 LEU A 327 4.898 63.551 25.347 1.00 38.63 C +ATOM 841 CD2 LEU A 327 2.563 64.244 24.819 1.00 37.88 C +ATOM 842 N ARG A 328 5.459 68.749 23.656 1.00 31.16 N +ATOM 843 CA ARG A 328 5.739 70.119 24.080 1.00 29.95 C +ATOM 844 C ARG A 328 5.195 71.165 23.120 1.00 28.22 C +ATOM 845 O ARG A 328 4.917 72.291 23.521 1.00 27.91 O +ATOM 846 CB ARG A 328 7.251 70.337 24.218 1.00 29.20 C +ATOM 847 CG ARG A 328 7.907 69.457 25.277 1.00 35.19 C +ATOM 848 CD ARG A 328 9.429 69.604 25.313 1.00 32.64 C +ATOM 849 NE ARG A 328 9.972 68.921 26.489 1.00 42.52 N +ATOM 850 CZ ARG A 328 11.262 68.852 26.805 1.00 39.78 C +ATOM 851 NH1 ARG A 328 12.176 69.427 26.036 1.00 37.72 N +ATOM 852 NH2 ARG A 328 11.637 68.196 27.895 1.00 39.05 N +ATOM 853 N GLU A 329 5.037 70.786 21.858 1.00 28.84 N +ATOM 854 CA GLU A 329 4.588 71.716 20.830 1.00 32.10 C +ATOM 855 C GLU A 329 3.175 71.512 20.296 1.00 31.72 C +ATOM 856 O GLU A 329 2.751 72.239 19.405 1.00 35.43 O +ATOM 857 CB GLU A 329 5.556 71.653 19.644 1.00 33.88 C +ATOM 858 CG GLU A 329 6.962 72.157 19.930 1.00 46.24 C +ATOM 859 CD GLU A 329 7.966 71.694 18.883 1.00 48.22 C +ATOM 860 OE1 GLU A 329 7.601 71.646 17.691 1.00 53.88 O +ATOM 861 OE2 GLU A 329 9.120 71.386 19.251 1.00 52.09 O +ATOM 862 N CYS A 330 2.445 70.546 20.832 1.00 31.37 N +ATOM 863 CA CYS A 330 1.109 70.259 20.323 1.00 35.50 C +ATOM 864 C CYS A 330 -0.013 71.197 20.757 1.00 36.50 C +ATOM 865 O CYS A 330 0.130 72.025 21.659 1.00 36.53 O +ATOM 866 CB CYS A 330 0.703 68.836 20.705 1.00 31.09 C +ATOM 867 SG CYS A 330 0.357 68.645 22.467 1.00 39.07 S +ATOM 868 N ASN A 331 -1.136 71.033 20.075 1.00 37.27 N +ATOM 869 CA ASN A 331 -2.361 71.766 20.343 1.00 36.92 C +ATOM 870 C ASN A 331 -2.963 70.899 21.447 1.00 35.95 C +ATOM 871 O ASN A 331 -3.427 69.789 21.183 1.00 35.13 O +ATOM 872 CB ASN A 331 -3.236 71.743 19.080 1.00 34.49 C +ATOM 873 CG ASN A 331 -4.638 72.290 19.320 1.00 34.75 C +ATOM 874 OD1 ASN A 331 -5.069 72.454 20.455 1.00 32.34 O +ATOM 875 ND2 ASN A 331 -5.359 72.566 18.234 1.00 31.96 N +ATOM 876 N ARG A 332 -2.936 71.385 22.683 1.00 35.52 N +ATOM 877 CA ARG A 332 -3.457 70.589 23.786 1.00 37.72 C +ATOM 878 C ARG A 332 -4.948 70.321 23.722 1.00 39.47 C +ATOM 879 O ARG A 332 -5.454 69.439 24.415 1.00 37.66 O +ATOM 880 CB ARG A 332 -3.097 71.224 25.120 1.00 37.75 C +ATOM 881 CG ARG A 332 -1.608 71.311 25.352 1.00 34.35 C +ATOM 882 CD ARG A 332 -1.312 71.584 26.810 1.00 35.19 C +ATOM 883 NE ARG A 332 0.111 71.800 27.049 1.00 40.25 N +ATOM 884 CZ ARG A 332 0.637 71.958 28.256 1.00 40.09 C +ATOM 885 NH1 ARG A 332 -0.148 71.917 29.324 1.00 39.85 N +ATOM 886 NH2 ARG A 332 1.940 72.166 28.394 1.00 39.11 N +ATOM 887 N GLN A 333 -5.655 71.087 22.902 1.00 39.42 N +ATOM 888 CA GLN A 333 -7.085 70.874 22.751 1.00 45.53 C +ATOM 889 C GLN A 333 -7.260 69.635 21.882 1.00 45.65 C +ATOM 890 O GLN A 333 -8.182 68.847 22.075 1.00 47.79 O +ATOM 891 CB GLN A 333 -7.739 72.087 22.087 1.00 45.54 C +ATOM 892 CG GLN A 333 -7.831 73.292 23.000 1.00 45.50 C +ATOM 893 CD GLN A 333 -8.627 72.990 24.248 1.00 47.72 C +ATOM 894 OE1 GLN A 333 -9.744 72.484 24.171 1.00 49.89 O +ATOM 895 NE2 GLN A 333 -8.057 73.299 25.408 1.00 48.21 N +ATOM 896 N GLU A 334 -6.355 69.472 20.925 1.00 43.73 N +ATOM 897 CA GLU A 334 -6.378 68.330 20.027 1.00 48.48 C +ATOM 898 C GLU A 334 -5.823 67.102 20.755 1.00 48.44 C +ATOM 899 O GLU A 334 -6.451 66.041 20.778 1.00 44.32 O +ATOM 900 CB GLU A 334 -5.532 68.633 18.795 1.00 52.34 C +ATOM 901 CG GLU A 334 -5.522 67.535 17.766 1.00 61.40 C +ATOM 902 CD GLU A 334 -4.484 67.781 16.698 1.00 68.17 C +ATOM 903 OE1 GLU A 334 -4.536 68.853 16.055 1.00 72.20 O +ATOM 904 OE2 GLU A 334 -3.617 66.902 16.505 1.00 70.17 O +ATOM 905 N VAL A 335 -4.642 67.256 21.349 1.00 46.04 N +ATOM 906 CA VAL A 335 -4.011 66.166 22.085 1.00 44.57 C +ATOM 907 C VAL A 335 -4.563 66.159 23.508 1.00 47.58 C +ATOM 908 O VAL A 335 -3.882 66.553 24.458 1.00 50.06 O +ATOM 909 CB VAL A 335 -2.471 66.332 22.134 1.00 42.30 C +ATOM 910 CG1 VAL A 335 -1.839 65.136 22.831 1.00 37.67 C +ATOM 911 CG2 VAL A 335 -1.920 66.477 20.728 1.00 35.84 C +ATOM 912 N SER A 336 -5.806 65.710 23.646 1.00 48.33 N +ATOM 913 CA SER A 336 -6.465 65.664 24.944 1.00 48.76 C +ATOM 914 C SER A 336 -6.091 64.429 25.749 1.00 49.69 C +ATOM 915 O SER A 336 -5.225 63.655 25.352 1.00 47.48 O +ATOM 916 CB SER A 336 -7.984 65.710 24.763 1.00 51.37 C +ATOM 917 OG SER A 336 -8.448 64.576 24.050 1.00 55.41 O +ATOM 918 N ALA A 337 -6.769 64.258 26.881 1.00 49.59 N +ATOM 919 CA ALA A 337 -6.538 63.145 27.792 1.00 51.26 C +ATOM 920 C ALA A 337 -6.717 61.774 27.150 1.00 50.70 C +ATOM 921 O ALA A 337 -5.955 60.853 27.433 1.00 52.27 O +ATOM 922 CB ALA A 337 -7.462 63.269 29.001 1.00 56.49 C +ATOM 923 N VAL A 338 -7.733 61.639 26.305 1.00 47.72 N +ATOM 924 CA VAL A 338 -8.004 60.374 25.633 1.00 45.61 C +ATOM 925 C VAL A 338 -6.883 60.057 24.649 1.00 44.76 C +ATOM 926 O VAL A 338 -6.513 58.896 24.470 1.00 41.38 O +ATOM 927 CB VAL A 338 -9.358 60.420 24.886 1.00 43.00 C +ATOM 928 CG1 VAL A 338 -9.412 61.632 23.978 1.00 46.44 C +ATOM 929 CG2 VAL A 338 -9.558 59.146 24.080 1.00 45.73 C +ATOM 930 N VAL A 339 -6.342 61.096 24.019 1.00 43.59 N +ATOM 931 CA VAL A 339 -5.252 60.920 23.071 1.00 40.06 C +ATOM 932 C VAL A 339 -3.980 60.512 23.817 1.00 41.67 C +ATOM 933 O VAL A 339 -3.239 59.641 23.354 1.00 38.69 O +ATOM 934 CB VAL A 339 -5.003 62.209 22.266 1.00 41.82 C +ATOM 935 CG1 VAL A 339 -3.820 62.021 21.317 1.00 35.36 C +ATOM 936 CG2 VAL A 339 -6.266 62.566 21.480 1.00 37.80 C +ATOM 937 N LEU A 340 -3.725 61.129 24.969 1.00 38.96 N +ATOM 938 CA LEU A 340 -2.541 60.773 25.750 1.00 40.04 C +ATOM 939 C LEU A 340 -2.629 59.305 26.152 1.00 38.37 C +ATOM 940 O LEU A 340 -1.655 58.561 26.050 1.00 41.57 O +ATOM 941 CB LEU A 340 -2.427 61.641 27.006 1.00 38.24 C +ATOM 942 CG LEU A 340 -2.116 63.119 26.775 1.00 42.43 C +ATOM 943 CD1 LEU A 340 -1.985 63.821 28.122 1.00 43.99 C +ATOM 944 CD2 LEU A 340 -0.826 63.259 25.965 1.00 36.22 C +ATOM 945 N LEU A 341 -3.807 58.896 26.607 1.00 37.65 N +ATOM 946 CA LEU A 341 -4.044 57.514 27.008 1.00 39.44 C +ATOM 947 C LEU A 341 -3.812 56.600 25.800 1.00 37.11 C +ATOM 948 O LEU A 341 -3.241 55.518 25.918 1.00 36.75 O +ATOM 949 CB LEU A 341 -5.482 57.363 27.512 1.00 45.25 C +ATOM 950 CG LEU A 341 -5.930 56.008 28.061 1.00 50.55 C +ATOM 951 CD1 LEU A 341 -5.192 55.691 29.359 1.00 50.89 C +ATOM 952 CD2 LEU A 341 -7.430 56.058 28.302 1.00 55.66 C +ATOM 953 N TYR A 342 -4.263 57.047 24.636 1.00 34.32 N +ATOM 954 CA TYR A 342 -4.092 56.283 23.410 1.00 36.29 C +ATOM 955 C TYR A 342 -2.602 56.113 23.083 1.00 35.87 C +ATOM 956 O TYR A 342 -2.166 55.046 22.650 1.00 34.78 O +ATOM 957 CB TYR A 342 -4.805 56.992 22.253 1.00 31.76 C +ATOM 958 CG TYR A 342 -4.556 56.372 20.893 1.00 34.42 C +ATOM 959 CD1 TYR A 342 -4.664 54.995 20.702 1.00 37.01 C +ATOM 960 CD2 TYR A 342 -4.226 57.167 19.794 1.00 34.82 C +ATOM 961 CE1 TYR A 342 -4.448 54.422 19.452 1.00 37.55 C +ATOM 962 CE2 TYR A 342 -4.007 56.603 18.536 1.00 35.22 C +ATOM 963 CZ TYR A 342 -4.119 55.231 18.375 1.00 39.08 C +ATOM 964 OH TYR A 342 -3.897 54.667 17.142 1.00 39.26 O +ATOM 965 N MET A 343 -1.822 57.167 23.296 1.00 33.42 N +ATOM 966 CA MET A 343 -0.395 57.093 23.007 1.00 34.11 C +ATOM 967 C MET A 343 0.317 56.124 23.948 1.00 34.28 C +ATOM 968 O MET A 343 1.205 55.377 23.524 1.00 34.69 O +ATOM 969 CB MET A 343 0.234 58.489 23.078 1.00 35.23 C +ATOM 970 CG MET A 343 -0.290 59.434 21.995 1.00 36.70 C +ATOM 971 SD MET A 343 0.487 61.075 21.966 1.00 50.47 S +ATOM 972 CE MET A 343 0.748 61.327 23.669 1.00 37.56 C +ATOM 973 N ALA A 344 -0.075 56.123 25.219 1.00 33.15 N +ATOM 974 CA ALA A 344 0.540 55.232 26.197 1.00 34.64 C +ATOM 975 C ALA A 344 0.158 53.781 25.900 1.00 38.58 C +ATOM 976 O ALA A 344 0.920 52.848 26.188 1.00 33.88 O +ATOM 977 CB ALA A 344 0.100 55.616 27.606 1.00 38.80 C +ATOM 978 N THR A 345 -1.025 53.594 25.321 1.00 35.92 N +ATOM 979 CA THR A 345 -1.493 52.258 24.978 1.00 39.14 C +ATOM 980 C THR A 345 -0.687 51.673 23.816 1.00 42.15 C +ATOM 981 O THR A 345 -0.361 50.480 23.820 1.00 43.66 O +ATOM 982 CB THR A 345 -2.982 52.274 24.595 1.00 43.26 C +ATOM 983 OG1 THR A 345 -3.756 52.719 25.716 1.00 44.46 O +ATOM 984 CG2 THR A 345 -3.444 50.875 24.190 1.00 44.78 C +ATOM 985 N GLN A 346 -0.364 52.501 22.822 1.00 36.14 N +ATOM 986 CA GLN A 346 0.410 52.015 21.682 1.00 35.80 C +ATOM 987 C GLN A 346 1.816 51.629 22.124 1.00 32.82 C +ATOM 988 O GLN A 346 2.344 50.600 21.708 1.00 30.20 O +ATOM 989 CB GLN A 346 0.484 53.074 20.585 1.00 37.11 C +ATOM 990 CG GLN A 346 -0.867 53.401 19.972 1.00 37.68 C +ATOM 991 CD GLN A 346 -0.793 54.552 18.997 1.00 35.70 C +ATOM 992 OE1 GLN A 346 -0.393 54.382 17.845 1.00 36.51 O +ATOM 993 NE2 GLN A 346 -1.166 55.740 19.459 1.00 33.21 N +ATOM 994 N ILE A 347 2.412 52.448 22.986 1.00 33.27 N +ATOM 995 CA ILE A 347 3.754 52.180 23.479 1.00 33.32 C +ATOM 996 C ILE A 347 3.809 50.892 24.302 1.00 34.58 C +ATOM 997 O ILE A 347 4.733 50.091 24.149 1.00 34.53 O +ATOM 998 CB ILE A 347 4.280 53.361 24.321 1.00 33.29 C +ATOM 999 CG1 ILE A 347 4.336 54.621 23.454 1.00 31.67 C +ATOM 1000 CG2 ILE A 347 5.669 53.036 24.857 1.00 30.31 C +ATOM 1001 CD1 ILE A 347 4.409 55.925 24.240 1.00 36.48 C +ATOM 1002 N SER A 348 2.816 50.676 25.161 1.00 34.44 N +ATOM 1003 CA SER A 348 2.795 49.463 25.976 1.00 34.85 C +ATOM 1004 C SER A 348 2.646 48.223 25.088 1.00 38.05 C +ATOM 1005 O SER A 348 3.109 47.141 25.435 1.00 36.36 O +ATOM 1006 CB SER A 348 1.645 49.516 26.988 1.00 38.53 C +ATOM 1007 OG SER A 348 0.380 49.519 26.345 1.00 41.53 O +ATOM 1008 N SER A 349 1.998 48.390 23.939 1.00 39.86 N +ATOM 1009 CA SER A 349 1.785 47.284 23.007 1.00 38.57 C +ATOM 1010 C SER A 349 3.118 46.872 22.392 1.00 39.55 C +ATOM 1011 O SER A 349 3.444 45.685 22.310 1.00 40.44 O +ATOM 1012 CB SER A 349 0.800 47.708 21.909 1.00 37.56 C +ATOM 1013 OG SER A 349 0.533 46.643 21.011 1.00 43.66 O +ATOM 1014 N ALA A 350 3.894 47.860 21.968 1.00 37.49 N +ATOM 1015 CA ALA A 350 5.192 47.592 21.374 1.00 34.90 C +ATOM 1016 C ALA A 350 6.104 46.898 22.378 1.00 37.39 C +ATOM 1017 O ALA A 350 6.821 45.955 22.032 1.00 39.41 O +ATOM 1018 CB ALA A 350 5.830 48.891 20.906 1.00 34.68 C +ATOM 1019 N MET A 351 6.071 47.360 23.624 1.00 34.22 N +ATOM 1020 CA MET A 351 6.920 46.788 24.659 1.00 36.08 C +ATOM 1021 C MET A 351 6.489 45.372 25.035 1.00 41.08 C +ATOM 1022 O MET A 351 7.327 44.527 25.375 1.00 35.73 O +ATOM 1023 CB MET A 351 6.928 47.695 25.891 1.00 35.92 C +ATOM 1024 CG MET A 351 7.573 49.067 25.647 1.00 34.95 C +ATOM 1025 SD MET A 351 9.232 48.953 24.893 1.00 38.64 S +ATOM 1026 CE MET A 351 10.076 47.893 26.063 1.00 37.65 C +ATOM 1027 N GLU A 352 5.183 45.125 24.969 1.00 38.19 N +ATOM 1028 CA GLU A 352 4.620 43.812 25.267 1.00 42.83 C +ATOM 1029 C GLU A 352 5.189 42.825 24.247 1.00 42.77 C +ATOM 1030 O GLU A 352 5.490 41.673 24.570 1.00 41.76 O +ATOM 1031 CB GLU A 352 3.092 43.867 25.140 1.00 46.72 C +ATOM 1032 CG GLU A 352 2.377 42.537 25.345 1.00 51.47 C +ATOM 1033 CD GLU A 352 0.867 42.650 25.165 1.00 55.73 C +ATOM 1034 OE1 GLU A 352 0.154 41.674 25.468 1.00 57.99 O +ATOM 1035 OE2 GLU A 352 0.389 43.713 24.716 1.00 61.83 O +ATOM 1036 N TYR A 353 5.339 43.301 23.014 1.00 40.07 N +ATOM 1037 CA TYR A 353 5.871 42.496 21.917 1.00 41.31 C +ATOM 1038 C TYR A 353 7.364 42.219 22.114 1.00 42.90 C +ATOM 1039 O TYR A 353 7.828 41.104 21.889 1.00 45.06 O +ATOM 1040 CB TYR A 353 5.638 43.223 20.589 1.00 38.62 C +ATOM 1041 CG TYR A 353 6.355 42.613 19.402 1.00 39.01 C +ATOM 1042 CD1 TYR A 353 5.843 41.488 18.750 1.00 37.53 C +ATOM 1043 CD2 TYR A 353 7.542 43.169 18.927 1.00 33.41 C +ATOM 1044 CE1 TYR A 353 6.499 40.935 17.646 1.00 37.63 C +ATOM 1045 CE2 TYR A 353 8.204 42.631 17.838 1.00 40.93 C +ATOM 1046 CZ TYR A 353 7.679 41.513 17.198 1.00 40.89 C +ATOM 1047 OH TYR A 353 8.350 40.979 16.123 1.00 38.64 O +ATOM 1048 N LEU A 354 8.116 43.235 22.524 1.00 41.88 N +ATOM 1049 CA LEU A 354 9.545 43.064 22.759 1.00 42.74 C +ATOM 1050 C LEU A 354 9.736 42.112 23.938 1.00 41.55 C +ATOM 1051 O LEU A 354 10.665 41.302 23.961 1.00 37.70 O +ATOM 1052 CB LEU A 354 10.195 44.419 23.047 1.00 40.31 C +ATOM 1053 CG LEU A 354 11.137 45.005 21.983 1.00 47.37 C +ATOM 1054 CD1 LEU A 354 10.719 44.602 20.581 1.00 46.63 C +ATOM 1055 CD2 LEU A 354 11.157 46.521 22.126 1.00 47.19 C +ATOM 1056 N GLU A 355 8.836 42.210 24.908 1.00 40.09 N +ATOM 1057 CA GLU A 355 8.876 41.355 26.085 1.00 44.81 C +ATOM 1058 C GLU A 355 8.685 39.916 25.606 1.00 49.02 C +ATOM 1059 O GLU A 355 9.455 39.022 25.960 1.00 49.21 O +ATOM 1060 CB GLU A 355 7.752 41.746 27.048 1.00 45.05 C +ATOM 1061 CG GLU A 355 7.704 40.934 28.328 1.00 49.69 C +ATOM 1062 CD GLU A 355 6.602 41.394 29.268 1.00 54.44 C +ATOM 1063 OE1 GLU A 355 5.408 41.227 28.929 1.00 53.39 O +ATOM 1064 OE2 GLU A 355 6.932 41.929 30.349 1.00 56.79 O +ATOM 1065 N LYS A 356 7.656 39.712 24.787 1.00 49.39 N +ATOM 1066 CA LYS A 356 7.342 38.403 24.233 1.00 49.79 C +ATOM 1067 C LYS A 356 8.553 37.809 23.525 1.00 49.69 C +ATOM 1068 O LYS A 356 8.844 36.625 23.674 1.00 48.42 O +ATOM 1069 CB LYS A 356 6.184 38.520 23.236 1.00 56.14 C +ATOM 1070 CG LYS A 356 5.885 37.236 22.464 1.00 66.49 C +ATOM 1071 CD LYS A 356 4.994 37.494 21.251 1.00 70.52 C +ATOM 1072 CE LYS A 356 3.632 38.038 21.657 1.00 77.41 C +ATOM 1073 NZ LYS A 356 2.885 37.086 22.532 1.00 81.29 N +ATOM 1074 N LYS A 357 9.257 38.636 22.757 1.00 47.02 N +ATOM 1075 CA LYS A 357 10.426 38.180 22.015 1.00 49.17 C +ATOM 1076 C LYS A 357 11.704 38.193 22.840 1.00 48.11 C +ATOM 1077 O LYS A 357 12.797 38.066 22.300 1.00 48.57 O +ATOM 1078 CB LYS A 357 10.628 39.038 20.769 1.00 51.90 C +ATOM 1079 CG LYS A 357 9.453 39.033 19.814 1.00 60.24 C +ATOM 1080 CD LYS A 357 9.821 39.731 18.521 1.00 67.51 C +ATOM 1081 CE LYS A 357 10.742 38.880 17.658 1.00 69.21 C +ATOM 1082 NZ LYS A 357 10.051 37.657 17.152 1.00 70.25 N +ATOM 1083 N ASN A 358 11.563 38.352 24.148 1.00 48.82 N +ATOM 1084 CA ASN A 358 12.712 38.378 25.044 1.00 50.66 C +ATOM 1085 C ASN A 358 13.764 39.426 24.663 1.00 48.27 C +ATOM 1086 O ASN A 358 14.957 39.235 24.905 1.00 47.58 O +ATOM 1087 CB ASN A 358 13.352 36.985 25.120 1.00 51.54 C +ATOM 1088 CG ASN A 358 12.350 35.904 25.514 1.00 57.88 C +ATOM 1089 OD1 ASN A 358 11.740 35.960 26.586 1.00 57.15 O +ATOM 1090 ND2 ASN A 358 12.173 34.917 24.641 1.00 59.25 N +ATOM 1091 N PHE A 359 13.320 40.523 24.053 1.00 46.43 N +ATOM 1092 CA PHE A 359 14.223 41.617 23.693 1.00 46.06 C +ATOM 1093 C PHE A 359 14.145 42.656 24.812 1.00 46.41 C +ATOM 1094 O PHE A 359 13.137 42.748 25.519 1.00 47.60 O +ATOM 1095 CB PHE A 359 13.808 42.297 22.384 1.00 48.77 C +ATOM 1096 CG PHE A 359 14.282 41.595 21.144 1.00 54.97 C +ATOM 1097 CD1 PHE A 359 13.442 40.729 20.452 1.00 57.91 C +ATOM 1098 CD2 PHE A 359 15.562 41.820 20.653 1.00 57.60 C +ATOM 1099 CE1 PHE A 359 13.869 40.099 19.284 1.00 56.02 C +ATOM 1100 CE2 PHE A 359 15.999 41.197 19.489 1.00 59.24 C +ATOM 1101 CZ PHE A 359 15.149 40.335 18.803 1.00 59.94 C +ATOM 1102 N ILE A 360 15.209 43.435 24.970 1.00 44.26 N +ATOM 1103 CA ILE A 360 15.259 44.477 25.990 1.00 43.82 C +ATOM 1104 C ILE A 360 15.549 45.785 25.277 1.00 41.69 C +ATOM 1105 O ILE A 360 16.429 45.843 24.426 1.00 45.67 O +ATOM 1106 CB ILE A 360 16.378 44.201 27.030 1.00 44.38 C +ATOM 1107 CG1 ILE A 360 15.972 43.044 27.950 1.00 43.64 C +ATOM 1108 CG2 ILE A 360 16.633 45.441 27.870 1.00 46.30 C +ATOM 1109 CD1 ILE A 360 15.819 41.711 27.256 1.00 51.88 C +ATOM 1110 N HIS A 361 14.813 46.839 25.610 1.00 40.74 N +ATOM 1111 CA HIS A 361 15.035 48.118 24.945 1.00 38.29 C +ATOM 1112 C HIS A 361 16.286 48.824 25.452 1.00 33.72 C +ATOM 1113 O HIS A 361 17.188 49.124 24.672 1.00 34.71 O +ATOM 1114 CB HIS A 361 13.817 49.029 25.113 1.00 37.42 C +ATOM 1115 CG HIS A 361 13.853 50.236 24.231 1.00 37.16 C +ATOM 1116 ND1 HIS A 361 14.729 51.281 24.434 1.00 38.41 N +ATOM 1117 CD2 HIS A 361 13.158 50.538 23.109 1.00 36.32 C +ATOM 1118 CE1 HIS A 361 14.576 52.173 23.471 1.00 40.15 C +ATOM 1119 NE2 HIS A 361 13.629 51.746 22.654 1.00 35.99 N +ATOM 1120 N ARG A 362 16.318 49.088 26.756 1.00 38.18 N +ATOM 1121 CA ARG A 362 17.433 49.755 27.444 1.00 43.16 C +ATOM 1122 C ARG A 362 17.413 51.283 27.497 1.00 42.04 C +ATOM 1123 O ARG A 362 18.133 51.873 28.297 1.00 41.66 O +ATOM 1124 CB ARG A 362 18.788 49.323 26.873 1.00 43.82 C +ATOM 1125 CG ARG A 362 19.318 47.999 27.405 1.00 53.00 C +ATOM 1126 CD ARG A 362 20.759 47.786 26.936 1.00 59.17 C +ATOM 1127 NE ARG A 362 21.169 46.385 26.992 1.00 66.01 N +ATOM 1128 CZ ARG A 362 21.897 45.846 27.966 1.00 66.59 C +ATOM 1129 NH1 ARG A 362 22.311 46.589 28.984 1.00 65.19 N +ATOM 1130 NH2 ARG A 362 22.207 44.557 27.919 1.00 64.39 N +ATOM 1131 N ASP A 363 16.609 51.932 26.663 1.00 39.71 N +ATOM 1132 CA ASP A 363 16.576 53.390 26.680 1.00 34.49 C +ATOM 1133 C ASP A 363 15.220 53.915 26.254 1.00 32.39 C +ATOM 1134 O ASP A 363 15.113 54.722 25.335 1.00 31.37 O +ATOM 1135 CB ASP A 363 17.662 53.943 25.761 1.00 33.01 C +ATOM 1136 CG ASP A 363 17.880 55.438 25.943 1.00 36.08 C +ATOM 1137 OD1 ASP A 363 17.359 56.013 26.928 1.00 37.24 O +ATOM 1138 OD2 ASP A 363 18.586 56.031 25.099 1.00 37.56 O +ATOM 1139 N LEU A 364 14.190 53.441 26.938 1.00 31.69 N +ATOM 1140 CA LEU A 364 12.817 53.823 26.664 1.00 32.60 C +ATOM 1141 C LEU A 364 12.539 55.192 27.275 1.00 31.68 C +ATOM 1142 O LEU A 364 12.713 55.393 28.476 1.00 33.58 O +ATOM 1143 CB LEU A 364 11.871 52.779 27.262 1.00 32.07 C +ATOM 1144 CG LEU A 364 10.378 53.030 27.064 1.00 36.27 C +ATOM 1145 CD1 LEU A 364 10.062 53.048 25.568 1.00 31.48 C +ATOM 1146 CD2 LEU A 364 9.581 51.937 27.779 1.00 31.97 C +ATOM 1147 N ALA A 365 12.105 56.125 26.439 1.00 31.70 N +ATOM 1148 CA ALA A 365 11.818 57.490 26.867 1.00 33.84 C +ATOM 1149 C ALA A 365 11.079 58.172 25.721 1.00 32.94 C +ATOM 1150 O ALA A 365 11.138 57.702 24.585 1.00 34.17 O +ATOM 1151 CB ALA A 365 13.133 58.230 27.162 1.00 34.30 C +ATOM 1152 N ALA A 366 10.390 59.274 26.009 1.00 32.78 N +ATOM 1153 CA ALA A 366 9.646 59.988 24.976 1.00 30.52 C +ATOM 1154 C ALA A 366 10.531 60.400 23.795 1.00 32.13 C +ATOM 1155 O ALA A 366 10.089 60.369 22.646 1.00 28.98 O +ATOM 1156 CB ALA A 366 8.957 61.219 25.578 1.00 33.56 C +ATOM 1157 N ARG A 367 11.781 60.766 24.076 1.00 27.44 N +ATOM 1158 CA ARG A 367 12.716 61.188 23.031 1.00 27.52 C +ATOM 1159 C ARG A 367 13.024 60.069 22.027 1.00 30.19 C +ATOM 1160 O ARG A 367 13.472 60.335 20.910 1.00 29.41 O +ATOM 1161 CB ARG A 367 14.025 61.675 23.664 1.00 32.56 C +ATOM 1162 CG ARG A 367 14.705 60.610 24.507 1.00 25.30 C +ATOM 1163 CD ARG A 367 15.991 61.101 25.174 1.00 34.84 C +ATOM 1164 NE ARG A 367 16.500 60.042 26.038 1.00 31.33 N +ATOM 1165 CZ ARG A 367 16.185 59.905 27.320 1.00 34.53 C +ATOM 1166 NH1 ARG A 367 15.374 60.777 27.907 1.00 31.97 N +ATOM 1167 NH2 ARG A 367 16.637 58.861 28.003 1.00 34.61 N +ATOM 1168 N ASN A 368 12.797 58.822 22.428 1.00 29.39 N +ATOM 1169 CA ASN A 368 13.043 57.691 21.539 1.00 32.68 C +ATOM 1170 C ASN A 368 11.765 57.190 20.851 1.00 34.67 C +ATOM 1171 O ASN A 368 11.739 56.090 20.298 1.00 35.61 O +ATOM 1172 CB ASN A 368 13.715 56.545 22.301 1.00 29.09 C +ATOM 1173 CG ASN A 368 15.233 56.630 22.256 1.00 33.68 C +ATOM 1174 OD1 ASN A 368 15.812 57.096 21.280 1.00 30.40 O +ATOM 1175 ND2 ASN A 368 15.879 56.172 23.312 1.00 36.21 N +ATOM 1176 N CYS A 369 10.706 57.998 20.890 1.00 32.29 N +ATOM 1177 CA CYS A 369 9.451 57.622 20.242 1.00 30.49 C +ATOM 1178 C CYS A 369 9.131 58.585 19.103 1.00 31.64 C +ATOM 1179 O CYS A 369 9.544 59.743 19.121 1.00 28.94 O +ATOM 1180 CB CYS A 369 8.302 57.594 21.255 1.00 28.47 C +ATOM 1181 SG CYS A 369 8.498 56.331 22.541 1.00 35.73 S +ATOM 1182 N LEU A 370 8.399 58.088 18.111 1.00 28.47 N +ATOM 1183 CA LEU A 370 8.042 58.868 16.934 1.00 30.18 C +ATOM 1184 C LEU A 370 6.531 58.994 16.816 1.00 33.38 C +ATOM 1185 O LEU A 370 5.789 58.100 17.229 1.00 33.69 O +ATOM 1186 CB LEU A 370 8.603 58.184 15.680 1.00 33.56 C +ATOM 1187 CG LEU A 370 9.803 58.747 14.903 1.00 40.67 C +ATOM 1188 CD1 LEU A 370 10.602 59.733 15.725 1.00 39.00 C +ATOM 1189 CD2 LEU A 370 10.660 57.580 14.446 1.00 39.09 C +ATOM 1190 N VAL A 371 6.081 60.107 16.246 1.00 31.57 N +ATOM 1191 CA VAL A 371 4.661 60.350 16.079 1.00 33.10 C +ATOM 1192 C VAL A 371 4.294 60.473 14.614 1.00 33.32 C +ATOM 1193 O VAL A 371 4.907 61.246 13.872 1.00 35.17 O +ATOM 1194 CB VAL A 371 4.221 61.645 16.799 1.00 34.98 C +ATOM 1195 CG1 VAL A 371 2.733 61.895 16.557 1.00 28.00 C +ATOM 1196 CG2 VAL A 371 4.509 61.534 18.280 1.00 28.15 C +ATOM 1197 N GLY A 372 3.291 59.704 14.202 1.00 34.94 N +ATOM 1198 CA GLY A 372 2.839 59.749 12.824 1.00 37.23 C +ATOM 1199 C GLY A 372 1.497 60.455 12.709 1.00 38.92 C +ATOM 1200 O GLY A 372 1.121 61.244 13.573 1.00 38.07 O +ATOM 1201 N GLU A 373 0.768 60.157 11.641 1.00 40.35 N +ATOM 1202 CA GLU A 373 -0.531 60.763 11.404 1.00 41.18 C +ATOM 1203 C GLU A 373 -1.567 60.135 12.330 1.00 40.15 C +ATOM 1204 O GLU A 373 -1.423 58.986 12.744 1.00 38.95 O +ATOM 1205 CB GLU A 373 -0.948 60.533 9.951 1.00 46.79 C +ATOM 1206 CG GLU A 373 -1.675 61.694 9.313 1.00 53.04 C +ATOM 1207 CD GLU A 373 -0.746 62.846 8.997 1.00 61.83 C +ATOM 1208 OE1 GLU A 373 0.183 62.654 8.182 1.00 63.39 O +ATOM 1209 OE2 GLU A 373 -0.943 63.943 9.565 1.00 67.69 O +ATOM 1210 N ASN A 374 -2.607 60.896 12.661 1.00 39.36 N +ATOM 1211 CA ASN A 374 -3.682 60.397 13.514 1.00 39.33 C +ATOM 1212 C ASN A 374 -3.174 59.897 14.867 1.00 39.13 C +ATOM 1213 O ASN A 374 -3.696 58.924 15.411 1.00 33.86 O +ATOM 1214 CB ASN A 374 -4.426 59.264 12.796 1.00 42.18 C +ATOM 1215 CG ASN A 374 -4.861 59.648 11.388 1.00 47.50 C +ATOM 1216 OD1 ASN A 374 -5.701 60.524 11.205 1.00 49.41 O +ATOM 1217 ND2 ASN A 374 -4.279 58.993 10.386 1.00 49.30 N +ATOM 1218 N HIS A 375 -2.148 60.559 15.398 1.00 37.89 N +ATOM 1219 CA HIS A 375 -1.582 60.202 16.698 1.00 34.55 C +ATOM 1220 C HIS A 375 -1.017 58.789 16.789 1.00 30.06 C +ATOM 1221 O HIS A 375 -0.993 58.183 17.864 1.00 33.14 O +ATOM 1222 CB HIS A 375 -2.630 60.426 17.792 1.00 37.33 C +ATOM 1223 CG HIS A 375 -3.125 61.837 17.855 1.00 44.51 C +ATOM 1224 ND1 HIS A 375 -4.460 62.154 17.980 1.00 46.17 N +ATOM 1225 CD2 HIS A 375 -2.462 63.016 17.790 1.00 47.32 C +ATOM 1226 CE1 HIS A 375 -4.599 63.468 17.987 1.00 49.15 C +ATOM 1227 NE2 HIS A 375 -3.401 64.015 17.873 1.00 50.82 N +ATOM 1228 N LEU A 376 -0.568 58.271 15.653 1.00 31.71 N +ATOM 1229 CA LEU A 376 0.052 56.954 15.594 1.00 30.69 C +ATOM 1230 C LEU A 376 1.401 57.163 16.304 1.00 33.87 C +ATOM 1231 O LEU A 376 2.103 58.140 16.026 1.00 30.46 O +ATOM 1232 CB LEU A 376 0.301 56.573 14.136 1.00 29.20 C +ATOM 1233 CG LEU A 376 0.501 55.123 13.679 1.00 39.64 C +ATOM 1234 CD1 LEU A 376 1.415 55.139 12.455 1.00 39.80 C +ATOM 1235 CD2 LEU A 376 1.100 54.263 14.771 1.00 36.37 C +ATOM 1236 N VAL A 377 1.759 56.268 17.217 1.00 32.89 N +ATOM 1237 CA VAL A 377 3.028 56.390 17.938 1.00 33.17 C +ATOM 1238 C VAL A 377 3.837 55.110 17.787 1.00 32.57 C +ATOM 1239 O VAL A 377 3.295 54.010 17.889 1.00 31.26 O +ATOM 1240 CB VAL A 377 2.809 56.639 19.450 1.00 32.64 C +ATOM 1241 CG1 VAL A 377 4.147 56.629 20.176 1.00 31.32 C +ATOM 1242 CG2 VAL A 377 2.113 57.964 19.670 1.00 24.75 C +ATOM 1243 N LYS A 378 5.134 55.253 17.537 1.00 29.95 N +ATOM 1244 CA LYS A 378 5.996 54.089 17.390 1.00 29.73 C +ATOM 1245 C LYS A 378 7.273 54.231 18.208 1.00 33.03 C +ATOM 1246 O LYS A 378 7.881 55.301 18.258 1.00 28.44 O +ATOM 1247 CB LYS A 378 6.348 53.865 15.920 1.00 32.33 C +ATOM 1248 CG LYS A 378 5.144 53.532 15.060 1.00 38.87 C +ATOM 1249 CD LYS A 378 5.541 53.022 13.683 1.00 39.86 C +ATOM 1250 CE LYS A 378 4.292 52.780 12.842 1.00 39.93 C +ATOM 1251 NZ LYS A 378 4.591 52.178 11.530 1.00 37.88 N +ATOM 1252 N VAL A 379 7.656 53.134 18.854 1.00 32.31 N +ATOM 1253 CA VAL A 379 8.851 53.081 19.669 1.00 31.15 C +ATOM 1254 C VAL A 379 10.060 52.841 18.773 1.00 32.16 C +ATOM 1255 O VAL A 379 10.016 52.031 17.842 1.00 29.32 O +ATOM 1256 CB VAL A 379 8.762 51.943 20.712 1.00 33.37 C +ATOM 1257 CG1 VAL A 379 10.105 51.763 21.415 1.00 30.34 C +ATOM 1258 CG2 VAL A 379 7.682 52.259 21.727 1.00 29.56 C +ATOM 1259 N ALA A 380 11.131 53.566 19.056 1.00 30.20 N +ATOM 1260 CA ALA A 380 12.370 53.447 18.303 1.00 27.94 C +ATOM 1261 C ALA A 380 13.548 53.446 19.282 1.00 31.12 C +ATOM 1262 O ALA A 380 13.346 53.374 20.497 1.00 30.00 O +ATOM 1263 CB ALA A 380 12.490 54.608 17.330 1.00 23.61 C +ATOM 1264 N ASP A 381 14.768 53.498 18.745 1.00 32.71 N +ATOM 1265 CA ASP A 381 15.997 53.536 19.548 1.00 34.41 C +ATOM 1266 C ASP A 381 17.043 54.230 18.679 1.00 34.91 C +ATOM 1267 O ASP A 381 17.668 53.621 17.804 1.00 34.83 O +ATOM 1268 CB ASP A 381 16.463 52.125 19.922 1.00 37.88 C +ATOM 1269 CG ASP A 381 17.682 52.134 20.839 1.00 47.19 C +ATOM 1270 OD1 ASP A 381 17.819 53.080 21.649 1.00 50.37 O +ATOM 1271 OD2 ASP A 381 18.500 51.193 20.759 1.00 52.55 O +ATOM 1272 N PHE A 382 17.212 55.521 18.922 1.00 30.18 N +ATOM 1273 CA PHE A 382 18.122 56.336 18.137 1.00 34.92 C +ATOM 1274 C PHE A 382 19.568 56.341 18.633 1.00 33.20 C +ATOM 1275 O PHE A 382 20.403 57.047 18.069 1.00 35.64 O +ATOM 1276 CB PHE A 382 17.580 57.770 18.092 1.00 34.74 C +ATOM 1277 CG PHE A 382 16.133 57.863 17.668 1.00 38.27 C +ATOM 1278 CD1 PHE A 382 15.255 58.713 18.335 1.00 41.10 C +ATOM 1279 CD2 PHE A 382 15.657 57.129 16.586 1.00 38.21 C +ATOM 1280 CE1 PHE A 382 13.926 58.833 17.930 1.00 43.41 C +ATOM 1281 CE2 PHE A 382 14.331 57.242 16.170 1.00 39.56 C +ATOM 1282 CZ PHE A 382 13.463 58.096 16.841 1.00 39.00 C +ATOM 1283 N GLY A 383 19.861 55.554 19.668 1.00 39.20 N +ATOM 1284 CA GLY A 383 21.213 55.512 20.213 1.00 36.80 C +ATOM 1285 C GLY A 383 21.674 56.924 20.526 1.00 40.70 C +ATOM 1286 O GLY A 383 22.694 57.384 20.018 1.00 41.71 O +ATOM 1287 N LEU A 384 20.908 57.608 21.373 1.00 42.68 N +ATOM 1288 CA LEU A 384 21.173 58.993 21.758 1.00 47.34 C +ATOM 1289 C LEU A 384 22.294 59.195 22.788 1.00 50.06 C +ATOM 1290 O LEU A 384 22.690 60.332 23.052 1.00 46.15 O +ATOM 1291 CB LEU A 384 19.873 59.625 22.278 1.00 42.35 C +ATOM 1292 CG LEU A 384 18.670 59.535 21.326 1.00 46.94 C +ATOM 1293 CD1 LEU A 384 17.373 59.886 22.055 1.00 43.27 C +ATOM 1294 CD2 LEU A 384 18.893 60.458 20.137 1.00 45.26 C +ATOM 1295 N SER A 385 22.795 58.101 23.361 1.00 54.99 N +ATOM 1296 CA SER A 385 23.871 58.148 24.359 1.00 59.78 C +ATOM 1297 C SER A 385 24.867 59.297 24.183 1.00 63.92 C +ATOM 1298 O SER A 385 24.945 60.194 25.022 1.00 62.95 O +ATOM 1299 CB SER A 385 24.651 56.830 24.362 1.00 57.71 C +ATOM 1300 OG SER A 385 23.944 55.802 25.029 1.00 62.16 O +ATOM 1301 N ARG A 386 25.632 59.256 23.096 1.00 70.27 N +ATOM 1302 CA ARG A 386 26.636 60.280 22.814 1.00 77.37 C +ATOM 1303 C ARG A 386 26.137 61.446 21.969 1.00 79.87 C +ATOM 1304 O ARG A 386 26.862 62.416 21.758 1.00 82.23 O +ATOM 1305 CB ARG A 386 27.845 59.661 22.112 1.00 80.99 C +ATOM 1306 CG ARG A 386 28.812 58.925 23.019 1.00 85.15 C +ATOM 1307 CD ARG A 386 30.091 58.622 22.253 1.00 89.57 C +ATOM 1308 NE ARG A 386 30.659 59.836 21.666 1.00 91.27 N +ATOM 1309 CZ ARG A 386 31.688 59.854 20.825 1.00 92.63 C +ATOM 1310 NH1 ARG A 386 32.274 58.720 20.463 1.00 93.39 N +ATOM 1311 NH2 ARG A 386 32.130 61.008 20.342 1.00 92.14 N +ATOM 1312 N LEU A 387 24.909 61.352 21.477 1.00 81.96 N +ATOM 1313 CA LEU A 387 24.351 62.416 20.656 1.00 84.55 C +ATOM 1314 C LEU A 387 23.886 63.582 21.526 1.00 86.34 C +ATOM 1315 O LEU A 387 24.273 64.730 21.301 1.00 86.43 O +ATOM 1316 CB LEU A 387 23.184 61.876 19.827 1.00 84.68 C +ATOM 1317 CG LEU A 387 23.535 60.681 18.939 1.00 84.96 C +ATOM 1318 CD1 LEU A 387 22.288 60.182 18.226 1.00 86.73 C +ATOM 1319 CD2 LEU A 387 24.609 61.086 17.941 1.00 84.01 C +ATOM 1320 N MET A 388 23.058 63.278 22.522 1.00 88.35 N +ATOM 1321 CA MET A 388 22.537 64.290 23.436 1.00 88.70 C +ATOM 1322 C MET A 388 23.670 65.123 24.027 1.00 89.12 C +ATOM 1323 O MET A 388 24.703 64.590 24.437 1.00 87.41 O +ATOM 1324 CB MET A 388 21.749 63.622 24.565 1.00 88.38 C +ATOM 1325 CG MET A 388 20.492 62.904 24.106 1.00 88.78 C +ATOM 1326 SD MET A 388 19.086 64.001 23.870 1.00 91.04 S +ATOM 1327 CE MET A 388 18.226 63.789 25.418 1.00 88.29 C +ATOM 1328 N THR A 389 23.466 66.434 24.066 1.00 90.62 N +ATOM 1329 CA THR A 389 24.463 67.352 24.601 1.00 91.97 C +ATOM 1330 C THR A 389 24.025 67.891 25.957 1.00 92.05 C +ATOM 1331 O THR A 389 24.797 68.558 26.651 1.00 93.05 O +ATOM 1332 CB THR A 389 24.685 68.542 23.645 1.00 92.00 C +ATOM 1333 OG1 THR A 389 23.441 69.219 23.429 1.00 90.66 O +ATOM 1334 CG2 THR A 389 25.234 68.057 22.310 1.00 91.11 C +ATOM 1335 N GLY A 390 22.785 67.588 26.332 1.00 90.27 N +ATOM 1336 CA GLY A 390 22.255 68.063 27.596 1.00 86.71 C +ATOM 1337 C GLY A 390 22.679 67.276 28.818 1.00 84.49 C +ATOM 1338 O GLY A 390 23.718 66.615 28.824 1.00 82.73 O +ATOM 1339 N ASP A 391 21.861 67.358 29.862 1.00 83.44 N +ATOM 1340 CA ASP A 391 22.126 66.665 31.115 1.00 80.54 C +ATOM 1341 C ASP A 391 21.284 65.391 31.202 1.00 75.27 C +ATOM 1342 O ASP A 391 21.197 64.762 32.259 1.00 72.51 O +ATOM 1343 CB ASP A 391 21.802 67.587 32.292 1.00 85.90 C +ATOM 1344 CG ASP A 391 22.301 67.043 33.616 1.00 91.25 C +ATOM 1345 OD1 ASP A 391 22.013 67.665 34.662 1.00 94.88 O +ATOM 1346 OD2 ASP A 391 22.986 65.996 33.611 1.00 95.02 O +ATOM 1347 N THR A 392 20.662 65.021 30.085 1.00 68.61 N +ATOM 1348 CA THR A 392 19.830 63.824 30.031 1.00 63.52 C +ATOM 1349 C THR A 392 20.673 62.584 30.315 1.00 58.70 C +ATOM 1350 O THR A 392 20.332 61.787 31.186 1.00 55.31 O +ATOM 1351 CB THR A 392 19.153 63.677 28.652 1.00 64.03 C +ATOM 1352 OG1 THR A 392 18.340 64.830 28.397 1.00 65.17 O +ATOM 1353 CG2 THR A 392 18.275 62.434 28.614 1.00 61.64 C +ATOM 1354 N TYR A 393 21.771 62.429 29.580 1.00 55.52 N +ATOM 1355 CA TYR A 393 22.670 61.295 29.776 1.00 58.14 C +ATOM 1356 C TYR A 393 23.935 61.736 30.513 1.00 61.89 C +ATOM 1357 O TYR A 393 24.536 62.757 30.172 1.00 62.42 O +ATOM 1358 CB TYR A 393 23.081 60.680 28.434 1.00 55.46 C +ATOM 1359 CG TYR A 393 21.947 60.113 27.610 1.00 55.93 C +ATOM 1360 CD1 TYR A 393 21.143 60.941 26.829 1.00 53.44 C +ATOM 1361 CD2 TYR A 393 21.684 58.743 27.603 1.00 53.95 C +ATOM 1362 CE1 TYR A 393 20.109 60.418 26.059 1.00 53.92 C +ATOM 1363 CE2 TYR A 393 20.652 58.212 26.837 1.00 52.31 C +ATOM 1364 CZ TYR A 393 19.869 59.054 26.066 1.00 53.22 C +ATOM 1365 OH TYR A 393 18.849 58.537 25.297 1.00 49.88 O +ATOM 1366 N THR A 394 24.339 60.967 31.520 1.00 63.83 N +ATOM 1367 CA THR A 394 25.547 61.285 32.279 1.00 66.99 C +ATOM 1368 C THR A 394 26.544 60.133 32.283 1.00 68.25 C +ATOM 1369 O THR A 394 26.165 58.963 32.349 1.00 64.94 O +ATOM 1370 CB THR A 394 25.231 61.672 33.739 1.00 67.07 C +ATOM 1371 OG1 THR A 394 23.915 61.229 34.086 1.00 68.14 O +ATOM 1372 CG2 THR A 394 25.334 63.181 33.918 1.00 68.34 C +ATOM 1373 N ALA A 395 27.823 60.490 32.217 1.00 70.62 N +ATOM 1374 CA ALA A 395 28.919 59.528 32.187 1.00 73.39 C +ATOM 1375 C ALA A 395 28.886 58.478 33.290 1.00 74.08 C +ATOM 1376 O ALA A 395 28.357 58.706 34.376 1.00 72.74 O +ATOM 1377 CB ALA A 395 30.252 60.271 32.219 1.00 73.75 C +ATOM 1378 N HIS A 396 29.468 57.322 32.983 1.00 78.42 N +ATOM 1379 CA HIS A 396 29.555 56.189 33.899 1.00 82.15 C +ATOM 1380 C HIS A 396 30.400 55.092 33.258 1.00 83.08 C +ATOM 1381 O HIS A 396 29.913 54.328 32.422 1.00 83.77 O +ATOM 1382 CB HIS A 396 28.164 55.632 34.222 1.00 83.55 C +ATOM 1383 CG HIS A 396 28.196 54.327 34.957 1.00 88.06 C +ATOM 1384 ND1 HIS A 396 28.700 53.171 34.399 1.00 89.55 N +ATOM 1385 CD2 HIS A 396 27.807 53.999 36.212 1.00 89.56 C +ATOM 1386 CE1 HIS A 396 28.620 52.188 35.277 1.00 89.09 C +ATOM 1387 NE2 HIS A 396 28.082 52.663 36.386 1.00 90.16 N +ATOM 1388 N ALA A 397 31.670 55.027 33.647 1.00 83.23 N +ATOM 1389 CA ALA A 397 32.588 54.024 33.119 1.00 83.89 C +ATOM 1390 C ALA A 397 32.601 53.970 31.590 1.00 84.00 C +ATOM 1391 O ALA A 397 32.330 52.926 30.995 1.00 84.56 O +ATOM 1392 CB ALA A 397 32.235 52.655 33.683 1.00 83.45 C +ATOM 1393 N GLY A 398 32.916 55.099 30.962 1.00 84.25 N +ATOM 1394 CA GLY A 398 32.987 55.158 29.511 1.00 81.86 C +ATOM 1395 C GLY A 398 31.670 55.075 28.768 1.00 80.53 C +ATOM 1396 O GLY A 398 31.651 55.016 27.537 1.00 81.57 O +ATOM 1397 N ALA A 399 30.571 55.063 29.512 1.00 77.56 N +ATOM 1398 CA ALA A 399 29.244 54.995 28.920 1.00 73.84 C +ATOM 1399 C ALA A 399 28.375 56.067 29.558 1.00 71.11 C +ATOM 1400 O ALA A 399 28.730 56.639 30.592 1.00 69.14 O +ATOM 1401 CB ALA A 399 28.635 53.621 29.152 1.00 72.33 C +ATOM 1402 N LYS A 400 27.241 56.348 28.931 1.00 66.15 N +ATOM 1403 CA LYS A 400 26.328 57.344 29.456 1.00 60.05 C +ATOM 1404 C LYS A 400 24.945 56.745 29.647 1.00 57.02 C +ATOM 1405 O LYS A 400 24.494 55.930 28.843 1.00 51.53 O +ATOM 1406 CB LYS A 400 26.275 58.556 28.529 1.00 63.63 C +ATOM 1407 CG LYS A 400 27.581 59.330 28.493 1.00 65.73 C +ATOM 1408 CD LYS A 400 27.397 60.691 27.858 1.00 71.53 C +ATOM 1409 CE LYS A 400 28.724 61.411 27.712 1.00 76.29 C +ATOM 1410 NZ LYS A 400 28.568 62.736 27.047 1.00 81.43 N +ATOM 1411 N PHE A 401 24.287 57.152 30.729 1.00 53.43 N +ATOM 1412 CA PHE A 401 22.965 56.655 31.066 1.00 54.17 C +ATOM 1413 C PHE A 401 22.039 57.784 31.496 1.00 51.94 C +ATOM 1414 O PHE A 401 22.467 58.735 32.148 1.00 52.64 O +ATOM 1415 CB PHE A 401 23.055 55.647 32.216 1.00 60.83 C +ATOM 1416 CG PHE A 401 24.020 54.522 31.971 1.00 68.33 C +ATOM 1417 CD1 PHE A 401 25.395 54.741 32.000 1.00 72.03 C +ATOM 1418 CD2 PHE A 401 23.552 53.240 31.709 1.00 71.61 C +ATOM 1419 CE1 PHE A 401 26.290 53.699 31.771 1.00 73.29 C +ATOM 1420 CE2 PHE A 401 24.435 52.191 31.479 1.00 73.80 C +ATOM 1421 CZ PHE A 401 25.807 52.420 31.510 1.00 75.20 C +ATOM 1422 N PRO A 402 20.752 57.695 31.126 1.00 47.72 N +ATOM 1423 CA PRO A 402 19.759 58.713 31.488 1.00 43.12 C +ATOM 1424 C PRO A 402 19.310 58.380 32.909 1.00 41.65 C +ATOM 1425 O PRO A 402 18.319 57.672 33.111 1.00 41.87 O +ATOM 1426 CB PRO A 402 18.659 58.497 30.451 1.00 43.24 C +ATOM 1427 CG PRO A 402 18.686 57.006 30.258 1.00 46.92 C +ATOM 1428 CD PRO A 402 20.175 56.690 30.211 1.00 46.81 C +ATOM 1429 N ILE A 403 20.053 58.890 33.888 1.00 39.52 N +ATOM 1430 CA ILE A 403 19.789 58.608 35.296 1.00 37.49 C +ATOM 1431 C ILE A 403 18.335 58.661 35.738 1.00 40.02 C +ATOM 1432 O ILE A 403 17.884 57.790 36.482 1.00 37.28 O +ATOM 1433 CB ILE A 403 20.608 59.546 36.219 1.00 41.72 C +ATOM 1434 CG1 ILE A 403 22.102 59.398 35.925 1.00 41.29 C +ATOM 1435 CG2 ILE A 403 20.355 59.199 37.682 1.00 37.34 C +ATOM 1436 CD1 ILE A 403 22.628 57.993 36.101 1.00 43.36 C +ATOM 1437 N LYS A 404 17.596 59.669 35.283 1.00 38.46 N +ATOM 1438 CA LYS A 404 16.203 59.812 35.694 1.00 39.37 C +ATOM 1439 C LYS A 404 15.211 58.827 35.074 1.00 36.29 C +ATOM 1440 O LYS A 404 14.033 58.824 35.432 1.00 39.06 O +ATOM 1441 CB LYS A 404 15.741 61.250 35.455 1.00 40.02 C +ATOM 1442 CG LYS A 404 16.285 62.230 36.490 1.00 46.10 C +ATOM 1443 CD LYS A 404 15.814 63.651 36.218 1.00 52.97 C +ATOM 1444 CE LYS A 404 16.155 64.576 37.381 1.00 57.06 C +ATOM 1445 NZ LYS A 404 17.596 64.498 37.734 1.00 60.00 N +ATOM 1446 N TRP A 405 15.691 57.999 34.155 1.00 35.32 N +ATOM 1447 CA TRP A 405 14.866 56.992 33.490 1.00 35.99 C +ATOM 1448 C TRP A 405 15.389 55.594 33.845 1.00 41.30 C +ATOM 1449 O TRP A 405 14.809 54.583 33.450 1.00 38.47 O +ATOM 1450 CB TRP A 405 14.940 57.172 31.971 1.00 33.55 C +ATOM 1451 CG TRP A 405 14.043 58.243 31.397 1.00 33.15 C +ATOM 1452 CD1 TRP A 405 12.799 58.067 30.869 1.00 33.65 C +ATOM 1453 CD2 TRP A 405 14.337 59.643 31.273 1.00 33.64 C +ATOM 1454 NE1 TRP A 405 12.299 59.264 30.419 1.00 33.22 N +ATOM 1455 CE2 TRP A 405 13.220 60.249 30.655 1.00 36.16 C +ATOM 1456 CE3 TRP A 405 15.434 60.442 31.622 1.00 30.32 C +ATOM 1457 CZ2 TRP A 405 13.167 61.622 30.378 1.00 33.71 C +ATOM 1458 CZ3 TRP A 405 15.385 61.807 31.346 1.00 33.76 C +ATOM 1459 CH2 TRP A 405 14.258 62.382 30.730 1.00 38.41 C +ATOM 1460 N THR A 406 16.486 55.546 34.597 1.00 41.28 N +ATOM 1461 CA THR A 406 17.111 54.278 34.960 1.00 40.75 C +ATOM 1462 C THR A 406 16.645 53.648 36.271 1.00 41.94 C +ATOM 1463 O THR A 406 16.569 54.311 37.307 1.00 43.75 O +ATOM 1464 CB THR A 406 18.627 54.447 35.004 1.00 38.69 C +ATOM 1465 OG1 THR A 406 19.061 55.089 33.798 1.00 34.99 O +ATOM 1466 CG2 THR A 406 19.312 53.094 35.121 1.00 39.19 C +ATOM 1467 N ALA A 407 16.341 52.353 36.220 1.00 42.11 N +ATOM 1468 CA ALA A 407 15.876 51.629 37.398 1.00 39.06 C +ATOM 1469 C ALA A 407 17.002 51.528 38.428 1.00 40.96 C +ATOM 1470 O ALA A 407 18.180 51.519 38.072 1.00 36.87 O +ATOM 1471 CB ALA A 407 15.401 50.239 37.000 1.00 37.96 C +ATOM 1472 N PRO A 408 16.648 51.460 39.721 1.00 44.10 N +ATOM 1473 CA PRO A 408 17.623 51.360 40.817 1.00 45.53 C +ATOM 1474 C PRO A 408 18.647 50.253 40.586 1.00 46.35 C +ATOM 1475 O PRO A 408 19.855 50.494 40.638 1.00 48.43 O +ATOM 1476 CB PRO A 408 16.743 51.084 42.032 1.00 47.24 C +ATOM 1477 CG PRO A 408 15.485 51.835 41.700 1.00 48.10 C +ATOM 1478 CD PRO A 408 15.271 51.474 40.246 1.00 44.89 C +ATOM 1479 N GLU A 409 18.156 49.044 40.321 1.00 44.60 N +ATOM 1480 CA GLU A 409 19.030 47.900 40.079 1.00 48.75 C +ATOM 1481 C GLU A 409 20.003 48.167 38.932 1.00 48.69 C +ATOM 1482 O GLU A 409 21.115 47.636 38.916 1.00 48.37 O +ATOM 1483 CB GLU A 409 18.203 46.651 39.751 1.00 51.61 C +ATOM 1484 CG GLU A 409 17.441 46.754 38.436 1.00 51.25 C +ATOM 1485 CD GLU A 409 15.962 47.037 38.623 1.00 52.13 C +ATOM 1486 OE1 GLU A 409 15.601 47.781 39.565 1.00 48.09 O +ATOM 1487 OE2 GLU A 409 15.160 46.518 37.813 1.00 50.69 O +ATOM 1488 N SER A 410 19.580 48.983 37.969 1.00 46.21 N +ATOM 1489 CA SER A 410 20.422 49.305 36.819 1.00 46.83 C +ATOM 1490 C SER A 410 21.519 50.298 37.193 1.00 48.01 C +ATOM 1491 O SER A 410 22.639 50.223 36.683 1.00 46.85 O +ATOM 1492 CB SER A 410 19.573 49.884 35.682 1.00 48.84 C +ATOM 1493 OG SER A 410 18.552 48.985 35.284 1.00 50.50 O +ATOM 1494 N LEU A 411 21.187 51.236 38.076 1.00 48.40 N +ATOM 1495 CA LEU A 411 22.152 52.233 38.531 1.00 50.19 C +ATOM 1496 C LEU A 411 23.155 51.569 39.468 1.00 51.28 C +ATOM 1497 O LEU A 411 24.353 51.818 39.389 1.00 51.73 O +ATOM 1498 CB LEU A 411 21.443 53.370 39.280 1.00 47.23 C +ATOM 1499 CG LEU A 411 20.635 54.396 38.476 1.00 48.52 C +ATOM 1500 CD1 LEU A 411 19.878 55.307 39.424 1.00 45.76 C +ATOM 1501 CD2 LEU A 411 21.564 55.211 37.599 1.00 40.71 C +ATOM 1502 N ALA A 412 22.648 50.704 40.341 1.00 54.06 N +ATOM 1503 CA ALA A 412 23.478 50.016 41.320 1.00 58.27 C +ATOM 1504 C ALA A 412 24.247 48.795 40.820 1.00 60.49 C +ATOM 1505 O ALA A 412 25.455 48.692 41.043 1.00 60.92 O +ATOM 1506 CB ALA A 412 22.627 49.625 42.518 1.00 58.21 C +ATOM 1507 N TYR A 413 23.565 47.877 40.140 1.00 59.20 N +ATOM 1508 CA TYR A 413 24.223 46.660 39.672 1.00 58.77 C +ATOM 1509 C TYR A 413 24.433 46.522 38.170 1.00 58.06 C +ATOM 1510 O TYR A 413 24.826 45.457 37.700 1.00 56.71 O +ATOM 1511 CB TYR A 413 23.451 45.440 40.179 1.00 61.91 C +ATOM 1512 CG TYR A 413 23.165 45.491 41.662 1.00 66.69 C +ATOM 1513 CD1 TYR A 413 21.971 46.024 42.145 1.00 67.31 C +ATOM 1514 CD2 TYR A 413 24.109 45.046 42.587 1.00 69.07 C +ATOM 1515 CE1 TYR A 413 21.724 46.114 43.512 1.00 70.56 C +ATOM 1516 CE2 TYR A 413 23.873 45.134 43.955 1.00 71.26 C +ATOM 1517 CZ TYR A 413 22.681 45.669 44.410 1.00 72.53 C +ATOM 1518 OH TYR A 413 22.454 45.769 45.761 1.00 74.20 O +ATOM 1519 N ASN A 414 24.189 47.586 37.416 1.00 57.88 N +ATOM 1520 CA ASN A 414 24.348 47.526 35.966 1.00 57.55 C +ATOM 1521 C ASN A 414 23.517 46.381 35.395 1.00 55.09 C +ATOM 1522 O ASN A 414 23.844 45.822 34.348 1.00 54.13 O +ATOM 1523 CB ASN A 414 25.817 47.322 35.584 1.00 58.44 C +ATOM 1524 CG ASN A 414 26.687 48.501 35.964 1.00 65.24 C +ATOM 1525 OD1 ASN A 414 26.318 49.653 35.739 1.00 69.44 O +ATOM 1526 ND2 ASN A 414 27.857 48.220 36.531 1.00 65.50 N +ATOM 1527 N LYS A 415 22.446 46.029 36.093 1.00 54.46 N +ATOM 1528 CA LYS A 415 21.576 44.957 35.642 1.00 56.97 C +ATOM 1529 C LYS A 415 20.390 45.501 34.849 1.00 57.47 C +ATOM 1530 O LYS A 415 19.530 46.202 35.390 1.00 56.38 O +ATOM 1531 CB LYS A 415 21.059 44.147 36.833 1.00 59.32 C +ATOM 1532 CG LYS A 415 20.088 43.045 36.436 1.00 63.50 C +ATOM 1533 CD LYS A 415 19.573 42.278 37.643 1.00 67.65 C +ATOM 1534 CE LYS A 415 18.531 41.244 37.230 1.00 66.61 C +ATOM 1535 NZ LYS A 415 17.354 41.876 36.568 1.00 65.11 N +ATOM 1536 N PHE A 416 20.356 45.175 33.562 1.00 56.66 N +ATOM 1537 CA PHE A 416 19.270 45.603 32.694 1.00 53.96 C +ATOM 1538 C PHE A 416 18.412 44.412 32.308 1.00 54.00 C +ATOM 1539 O PHE A 416 18.924 43.359 31.924 1.00 53.61 O +ATOM 1540 CB PHE A 416 19.813 46.269 31.429 1.00 54.41 C +ATOM 1541 CG PHE A 416 20.424 47.618 31.668 1.00 57.70 C +ATOM 1542 CD1 PHE A 416 21.669 47.737 32.277 1.00 56.17 C +ATOM 1543 CD2 PHE A 416 19.744 48.776 31.297 1.00 57.60 C +ATOM 1544 CE1 PHE A 416 22.229 48.991 32.513 1.00 56.74 C +ATOM 1545 CE2 PHE A 416 20.294 50.036 31.529 1.00 56.94 C +ATOM 1546 CZ PHE A 416 21.539 50.144 32.138 1.00 58.24 C +ATOM 1547 N SER A 417 17.101 44.582 32.426 1.00 51.25 N +ATOM 1548 CA SER A 417 16.157 43.534 32.073 1.00 48.77 C +ATOM 1549 C SER A 417 14.897 44.210 31.549 1.00 48.47 C +ATOM 1550 O SER A 417 14.837 45.434 31.451 1.00 45.86 O +ATOM 1551 CB SER A 417 15.808 42.685 33.296 1.00 49.71 C +ATOM 1552 OG SER A 417 14.930 43.381 34.164 1.00 49.29 O +ATOM 1553 N ILE A 418 13.891 43.413 31.215 1.00 43.31 N +ATOM 1554 CA ILE A 418 12.647 43.958 30.711 1.00 45.38 C +ATOM 1555 C ILE A 418 11.939 44.685 31.858 1.00 45.20 C +ATOM 1556 O ILE A 418 11.055 45.513 31.635 1.00 46.64 O +ATOM 1557 CB ILE A 418 11.768 42.827 30.117 1.00 42.31 C +ATOM 1558 CG1 ILE A 418 10.594 43.420 29.337 1.00 42.23 C +ATOM 1559 CG2 ILE A 418 11.310 41.895 31.223 1.00 42.45 C +ATOM 1560 CD1 ILE A 418 9.330 43.560 30.145 1.00 47.27 C +ATOM 1561 N LYS A 419 12.354 44.386 33.087 1.00 44.70 N +ATOM 1562 CA LYS A 419 11.783 45.026 34.270 1.00 43.08 C +ATOM 1563 C LYS A 419 12.302 46.456 34.436 1.00 40.19 C +ATOM 1564 O LYS A 419 11.588 47.333 34.929 1.00 40.34 O +ATOM 1565 CB LYS A 419 12.107 44.219 35.528 1.00 45.94 C +ATOM 1566 CG LYS A 419 10.918 43.466 36.103 1.00 47.85 C +ATOM 1567 CD LYS A 419 10.407 42.413 35.149 1.00 45.75 C +ATOM 1568 CE LYS A 419 9.233 41.652 35.748 1.00 51.99 C +ATOM 1569 NZ LYS A 419 8.010 42.483 35.860 1.00 48.56 N +ATOM 1570 N SER A 420 13.546 46.694 34.037 1.00 38.64 N +ATOM 1571 CA SER A 420 14.093 48.039 34.134 1.00 38.24 C +ATOM 1572 C SER A 420 13.471 48.851 32.995 1.00 38.33 C +ATOM 1573 O SER A 420 13.416 50.072 33.055 1.00 37.09 O +ATOM 1574 CB SER A 420 15.622 48.018 34.040 1.00 37.55 C +ATOM 1575 OG SER A 420 16.064 47.495 32.807 1.00 45.22 O +ATOM 1576 N ASP A 421 12.985 48.160 31.963 1.00 39.57 N +ATOM 1577 CA ASP A 421 12.323 48.834 30.846 1.00 36.89 C +ATOM 1578 C ASP A 421 10.957 49.283 31.366 1.00 37.52 C +ATOM 1579 O ASP A 421 10.476 50.360 31.024 1.00 39.28 O +ATOM 1580 CB ASP A 421 12.120 47.889 29.653 1.00 37.33 C +ATOM 1581 CG ASP A 421 13.355 47.768 28.758 1.00 44.45 C +ATOM 1582 OD1 ASP A 421 14.331 48.541 28.917 1.00 41.70 O +ATOM 1583 OD2 ASP A 421 13.334 46.891 27.867 1.00 44.75 O +ATOM 1584 N VAL A 422 10.339 48.445 32.198 1.00 35.54 N +ATOM 1585 CA VAL A 422 9.041 48.767 32.780 1.00 37.62 C +ATOM 1586 C VAL A 422 9.156 50.002 33.678 1.00 36.52 C +ATOM 1587 O VAL A 422 8.260 50.844 33.719 1.00 37.24 O +ATOM 1588 CB VAL A 422 8.491 47.587 33.606 1.00 37.84 C +ATOM 1589 CG1 VAL A 422 7.211 47.998 34.301 1.00 32.64 C +ATOM 1590 CG2 VAL A 422 8.235 46.386 32.692 1.00 35.58 C +ATOM 1591 N TRP A 423 10.262 50.105 34.405 1.00 38.86 N +ATOM 1592 CA TRP A 423 10.477 51.264 35.258 1.00 37.15 C +ATOM 1593 C TRP A 423 10.559 52.489 34.346 1.00 34.30 C +ATOM 1594 O TRP A 423 9.895 53.501 34.583 1.00 34.20 O +ATOM 1595 CB TRP A 423 11.777 51.111 36.054 1.00 38.15 C +ATOM 1596 CG TRP A 423 12.139 52.324 36.877 1.00 42.05 C +ATOM 1597 CD1 TRP A 423 12.578 53.534 36.413 1.00 42.10 C +ATOM 1598 CD2 TRP A 423 12.059 52.447 38.301 1.00 45.14 C +ATOM 1599 NE1 TRP A 423 12.772 54.404 37.462 1.00 40.34 N +ATOM 1600 CE2 TRP A 423 12.462 53.763 38.632 1.00 43.48 C +ATOM 1601 CE3 TRP A 423 11.684 51.572 39.333 1.00 48.85 C +ATOM 1602 CZ2 TRP A 423 12.503 54.227 39.952 1.00 46.14 C +ATOM 1603 CZ3 TRP A 423 11.724 52.033 40.650 1.00 47.77 C +ATOM 1604 CH2 TRP A 423 12.132 53.351 40.945 1.00 50.15 C +ATOM 1605 N ALA A 424 11.370 52.386 33.298 1.00 31.86 N +ATOM 1606 CA ALA A 424 11.533 53.483 32.350 1.00 32.19 C +ATOM 1607 C ALA A 424 10.188 53.856 31.724 1.00 34.24 C +ATOM 1608 O ALA A 424 9.924 55.027 31.433 1.00 34.14 O +ATOM 1609 CB ALA A 424 12.521 53.091 31.270 1.00 26.52 C +ATOM 1610 N PHE A 425 9.334 52.859 31.513 1.00 34.62 N +ATOM 1611 CA PHE A 425 8.021 53.121 30.933 1.00 34.77 C +ATOM 1612 C PHE A 425 7.227 53.981 31.913 1.00 37.90 C +ATOM 1613 O PHE A 425 6.450 54.858 31.515 1.00 36.59 O +ATOM 1614 CB PHE A 425 7.277 51.811 30.672 1.00 36.44 C +ATOM 1615 CG PHE A 425 5.874 52.005 30.190 1.00 37.73 C +ATOM 1616 CD1 PHE A 425 5.620 52.413 28.885 1.00 38.63 C +ATOM 1617 CD2 PHE A 425 4.805 51.809 31.051 1.00 39.30 C +ATOM 1618 CE1 PHE A 425 4.317 52.625 28.443 1.00 40.63 C +ATOM 1619 CE2 PHE A 425 3.496 52.018 30.624 1.00 43.76 C +ATOM 1620 CZ PHE A 425 3.250 52.427 29.315 1.00 42.72 C +ATOM 1621 N GLY A 426 7.424 53.720 33.202 1.00 37.58 N +ATOM 1622 CA GLY A 426 6.734 54.496 34.214 1.00 39.21 C +ATOM 1623 C GLY A 426 7.088 55.967 34.077 1.00 39.52 C +ATOM 1624 O GLY A 426 6.219 56.836 34.149 1.00 39.60 O +ATOM 1625 N VAL A 427 8.371 56.246 33.873 1.00 37.49 N +ATOM 1626 CA VAL A 427 8.834 57.618 33.725 1.00 36.01 C +ATOM 1627 C VAL A 427 8.251 58.210 32.447 1.00 39.10 C +ATOM 1628 O VAL A 427 7.868 59.381 32.408 1.00 40.26 O +ATOM 1629 CB VAL A 427 10.373 57.675 33.662 1.00 35.85 C +ATOM 1630 CG1 VAL A 427 10.840 59.116 33.572 1.00 30.62 C +ATOM 1631 CG2 VAL A 427 10.964 56.991 34.891 1.00 29.87 C +ATOM 1632 N LEU A 428 8.184 57.390 31.402 1.00 38.65 N +ATOM 1633 CA LEU A 428 7.637 57.823 30.123 1.00 38.10 C +ATOM 1634 C LEU A 428 6.183 58.270 30.280 1.00 35.20 C +ATOM 1635 O LEU A 428 5.775 59.292 29.725 1.00 33.35 O +ATOM 1636 CB LEU A 428 7.750 56.682 29.104 1.00 41.13 C +ATOM 1637 CG LEU A 428 7.139 56.833 27.711 1.00 43.82 C +ATOM 1638 CD1 LEU A 428 7.546 58.150 27.082 1.00 47.10 C +ATOM 1639 CD2 LEU A 428 7.594 55.662 26.849 1.00 45.90 C +ATOM 1640 N LEU A 429 5.402 57.504 31.035 1.00 36.01 N +ATOM 1641 CA LEU A 429 4.004 57.851 31.266 1.00 35.51 C +ATOM 1642 C LEU A 429 3.933 59.224 31.913 1.00 35.33 C +ATOM 1643 O LEU A 429 3.032 60.011 31.627 1.00 39.20 O +ATOM 1644 CB LEU A 429 3.341 56.832 32.189 1.00 38.22 C +ATOM 1645 CG LEU A 429 3.140 55.431 31.634 1.00 41.15 C +ATOM 1646 CD1 LEU A 429 2.503 54.565 32.708 1.00 46.70 C +ATOM 1647 CD2 LEU A 429 2.263 55.490 30.388 1.00 46.86 C +ATOM 1648 N TRP A 430 4.892 59.500 32.792 1.00 38.21 N +ATOM 1649 CA TRP A 430 4.962 60.780 33.479 1.00 35.57 C +ATOM 1650 C TRP A 430 5.245 61.879 32.457 1.00 35.43 C +ATOM 1651 O TRP A 430 4.633 62.947 32.504 1.00 34.87 O +ATOM 1652 CB TRP A 430 6.071 60.758 34.533 1.00 38.43 C +ATOM 1653 CG TRP A 430 5.965 61.873 35.527 1.00 39.02 C +ATOM 1654 CD1 TRP A 430 5.230 61.878 36.677 1.00 40.30 C +ATOM 1655 CD2 TRP A 430 6.589 63.160 35.444 1.00 41.17 C +ATOM 1656 NE1 TRP A 430 5.358 63.087 37.317 1.00 43.21 N +ATOM 1657 CE2 TRP A 430 6.185 63.894 36.582 1.00 41.67 C +ATOM 1658 CE3 TRP A 430 7.447 63.767 34.517 1.00 42.63 C +ATOM 1659 CZ2 TRP A 430 6.610 65.204 36.819 1.00 40.56 C +ATOM 1660 CZ3 TRP A 430 7.871 65.074 34.754 1.00 45.45 C +ATOM 1661 CH2 TRP A 430 7.451 65.776 35.896 1.00 44.07 C +ATOM 1662 N GLU A 431 6.178 61.615 31.540 1.00 34.18 N +ATOM 1663 CA GLU A 431 6.523 62.584 30.498 1.00 34.76 C +ATOM 1664 C GLU A 431 5.270 62.882 29.680 1.00 34.72 C +ATOM 1665 O GLU A 431 5.001 64.025 29.315 1.00 37.21 O +ATOM 1666 CB GLU A 431 7.585 62.030 29.535 1.00 33.13 C +ATOM 1667 CG GLU A 431 8.938 61.663 30.131 1.00 37.29 C +ATOM 1668 CD GLU A 431 9.975 61.353 29.047 1.00 38.84 C +ATOM 1669 OE1 GLU A 431 10.473 62.308 28.411 1.00 39.41 O +ATOM 1670 OE2 GLU A 431 10.277 60.159 28.818 1.00 32.01 O +ATOM 1671 N ILE A 432 4.511 61.835 29.384 1.00 34.91 N +ATOM 1672 CA ILE A 432 3.305 61.986 28.589 1.00 35.13 C +ATOM 1673 C ILE A 432 2.227 62.783 29.310 1.00 36.72 C +ATOM 1674 O ILE A 432 1.632 63.691 28.730 1.00 32.80 O +ATOM 1675 CB ILE A 432 2.741 60.612 28.183 1.00 34.79 C +ATOM 1676 CG1 ILE A 432 3.697 59.947 27.182 1.00 31.87 C +ATOM 1677 CG2 ILE A 432 1.336 60.775 27.589 1.00 35.70 C +ATOM 1678 CD1 ILE A 432 3.276 58.570 26.723 1.00 31.54 C +ATOM 1679 N ALA A 433 1.990 62.448 30.574 1.00 36.61 N +ATOM 1680 CA ALA A 433 0.967 63.125 31.363 1.00 39.28 C +ATOM 1681 C ALA A 433 1.280 64.598 31.632 1.00 39.41 C +ATOM 1682 O ALA A 433 0.378 65.378 31.931 1.00 42.51 O +ATOM 1683 CB ALA A 433 0.750 62.381 32.681 1.00 35.07 C +ATOM 1684 N THR A 434 2.548 64.984 31.520 1.00 38.47 N +ATOM 1685 CA THR A 434 2.941 66.373 31.759 1.00 36.09 C +ATOM 1686 C THR A 434 3.198 67.131 30.459 1.00 36.83 C +ATOM 1687 O THR A 434 3.717 68.255 30.478 1.00 35.32 O +ATOM 1688 CB THR A 434 4.227 66.457 32.606 1.00 37.97 C +ATOM 1689 OG1 THR A 434 5.313 65.854 31.885 1.00 38.29 O +ATOM 1690 CG2 THR A 434 4.038 65.741 33.941 1.00 33.07 C +ATOM 1691 N TYR A 435 2.837 66.520 29.335 1.00 34.27 N +ATOM 1692 CA TYR A 435 3.056 67.128 28.027 1.00 34.06 C +ATOM 1693 C TYR A 435 4.544 67.400 27.781 1.00 35.62 C +ATOM 1694 O TYR A 435 4.913 68.434 27.222 1.00 36.56 O +ATOM 1695 CB TYR A 435 2.252 68.433 27.881 1.00 35.56 C +ATOM 1696 CG TYR A 435 0.766 68.217 27.639 1.00 38.61 C +ATOM 1697 CD1 TYR A 435 0.291 67.834 26.381 1.00 37.99 C +ATOM 1698 CD2 TYR A 435 -0.160 68.356 28.675 1.00 36.92 C +ATOM 1699 CE1 TYR A 435 -1.065 67.592 26.160 1.00 34.47 C +ATOM 1700 CE2 TYR A 435 -1.525 68.115 28.463 1.00 35.96 C +ATOM 1701 CZ TYR A 435 -1.964 67.733 27.205 1.00 35.24 C +ATOM 1702 OH TYR A 435 -3.295 67.475 26.993 1.00 39.79 O +ATOM 1703 N GLY A 436 5.400 66.477 28.217 1.00 37.69 N +ATOM 1704 CA GLY A 436 6.827 66.622 27.968 1.00 35.25 C +ATOM 1705 C GLY A 436 7.729 67.295 28.987 1.00 37.09 C +ATOM 1706 O GLY A 436 8.794 67.797 28.618 1.00 38.29 O +ATOM 1707 N MET A 437 7.334 67.317 30.255 1.00 36.04 N +ATOM 1708 CA MET A 437 8.178 67.931 31.276 1.00 42.66 C +ATOM 1709 C MET A 437 9.350 67.028 31.648 1.00 43.80 C +ATOM 1710 O MET A 437 9.289 65.810 31.476 1.00 40.99 O +ATOM 1711 CB MET A 437 7.373 68.233 32.540 1.00 42.12 C +ATOM 1712 CG MET A 437 6.495 69.470 32.451 1.00 52.61 C +ATOM 1713 SD MET A 437 5.628 69.773 34.005 1.00 62.75 S +ATOM 1714 CE MET A 437 7.031 69.998 35.129 1.00 56.43 C +ATOM 1715 N SER A 438 10.415 67.633 32.165 1.00 44.83 N +ATOM 1716 CA SER A 438 11.585 66.877 32.589 1.00 47.44 C +ATOM 1717 C SER A 438 11.317 66.182 33.926 1.00 45.65 C +ATOM 1718 O SER A 438 10.747 66.774 34.839 1.00 47.04 O +ATOM 1719 CB SER A 438 12.793 67.803 32.717 1.00 48.95 C +ATOM 1720 OG SER A 438 13.239 68.209 31.439 1.00 54.56 O +ATOM 1721 N PRO A 439 11.728 64.909 34.050 1.00 43.62 N +ATOM 1722 CA PRO A 439 11.551 64.093 35.259 1.00 44.52 C +ATOM 1723 C PRO A 439 12.269 64.657 36.490 1.00 44.20 C +ATOM 1724 O PRO A 439 13.289 65.326 36.363 1.00 42.70 O +ATOM 1725 CB PRO A 439 12.119 62.733 34.848 1.00 44.46 C +ATOM 1726 CG PRO A 439 11.972 62.720 33.364 1.00 47.78 C +ATOM 1727 CD PRO A 439 12.366 64.121 32.985 1.00 43.99 C +ATOM 1728 N TYR A 440 11.735 64.361 37.675 1.00 47.10 N +ATOM 1729 CA TYR A 440 12.307 64.832 38.938 1.00 48.80 C +ATOM 1730 C TYR A 440 12.828 66.259 38.768 1.00 49.05 C +ATOM 1731 O TYR A 440 14.022 66.526 38.933 1.00 48.86 O +ATOM 1732 CB TYR A 440 13.448 63.906 39.398 1.00 47.73 C +ATOM 1733 CG TYR A 440 13.061 62.440 39.489 1.00 48.42 C +ATOM 1734 CD1 TYR A 440 13.317 61.560 38.429 1.00 47.97 C +ATOM 1735 CD2 TYR A 440 12.396 61.941 40.612 1.00 45.30 C +ATOM 1736 CE1 TYR A 440 12.915 60.221 38.484 1.00 41.00 C +ATOM 1737 CE2 TYR A 440 11.987 60.605 40.676 1.00 46.28 C +ATOM 1738 CZ TYR A 440 12.248 59.752 39.604 1.00 45.44 C +ATOM 1739 OH TYR A 440 11.805 58.448 39.639 1.00 43.80 O +ATOM 1740 N PRO A 441 11.929 67.198 38.433 1.00 48.41 N +ATOM 1741 CA PRO A 441 12.324 68.598 38.239 1.00 50.34 C +ATOM 1742 C PRO A 441 13.065 69.206 39.423 1.00 48.28 C +ATOM 1743 O PRO A 441 12.586 69.166 40.556 1.00 48.33 O +ATOM 1744 CB PRO A 441 10.992 69.298 37.954 1.00 48.09 C +ATOM 1745 CG PRO A 441 9.995 68.447 38.675 1.00 45.60 C +ATOM 1746 CD PRO A 441 10.465 67.052 38.359 1.00 46.52 C +ATOM 1747 N GLY A 442 14.244 69.755 39.150 1.00 48.71 N +ATOM 1748 CA GLY A 442 15.030 70.385 40.196 1.00 50.43 C +ATOM 1749 C GLY A 442 15.978 69.489 40.972 1.00 51.68 C +ATOM 1750 O GLY A 442 17.051 69.932 41.379 1.00 51.04 O +ATOM 1751 N ILE A 443 15.593 68.236 41.185 1.00 51.76 N +ATOM 1752 CA ILE A 443 16.433 67.304 41.928 1.00 54.04 C +ATOM 1753 C ILE A 443 17.711 66.991 41.156 1.00 55.01 C +ATOM 1754 O ILE A 443 17.657 66.615 39.989 1.00 54.64 O +ATOM 1755 CB ILE A 443 15.690 65.973 42.210 1.00 55.82 C +ATOM 1756 CG1 ILE A 443 14.396 66.240 42.979 1.00 55.62 C +ATOM 1757 CG2 ILE A 443 16.572 65.040 43.029 1.00 55.90 C +ATOM 1758 CD1 ILE A 443 13.296 66.851 42.145 1.00 60.24 C +ATOM 1759 N ASP A 444 18.865 67.149 41.799 1.00 57.59 N +ATOM 1760 CA ASP A 444 20.121 66.853 41.119 1.00 60.21 C +ATOM 1761 C ASP A 444 20.326 65.340 41.037 1.00 58.88 C +ATOM 1762 O ASP A 444 19.936 64.593 41.940 1.00 55.56 O +ATOM 1763 CB ASP A 444 21.306 67.531 41.819 1.00 63.81 C +ATOM 1764 CG ASP A 444 21.463 67.099 43.253 1.00 67.75 C +ATOM 1765 OD1 ASP A 444 20.494 67.248 44.025 1.00 74.01 O +ATOM 1766 OD2 ASP A 444 22.559 66.618 43.612 1.00 71.70 O +ATOM 1767 N LEU A 445 20.927 64.911 39.932 1.00 59.30 N +ATOM 1768 CA LEU A 445 21.178 63.505 39.636 1.00 60.86 C +ATOM 1769 C LEU A 445 21.834 62.678 40.737 1.00 59.33 C +ATOM 1770 O LEU A 445 21.427 61.545 40.985 1.00 60.00 O +ATOM 1771 CB LEU A 445 22.012 63.394 38.354 1.00 61.11 C +ATOM 1772 CG LEU A 445 21.340 63.786 37.031 1.00 63.72 C +ATOM 1773 CD1 LEU A 445 20.845 65.219 37.088 1.00 65.24 C +ATOM 1774 CD2 LEU A 445 22.334 63.624 35.896 1.00 63.43 C +ATOM 1775 N SER A 446 22.839 63.243 41.397 1.00 59.98 N +ATOM 1776 CA SER A 446 23.559 62.538 42.452 1.00 57.81 C +ATOM 1777 C SER A 446 22.735 62.143 43.679 1.00 56.34 C +ATOM 1778 O SER A 446 23.181 61.337 44.495 1.00 58.60 O +ATOM 1779 CB SER A 446 24.772 63.365 42.887 1.00 59.32 C +ATOM 1780 OG SER A 446 24.427 64.725 43.064 1.00 59.94 O +ATOM 1781 N GLN A 447 21.535 62.690 43.812 1.00 53.06 N +ATOM 1782 CA GLN A 447 20.702 62.359 44.960 1.00 49.65 C +ATOM 1783 C GLN A 447 19.450 61.555 44.602 1.00 48.00 C +ATOM 1784 O GLN A 447 18.688 61.160 45.487 1.00 50.61 O +ATOM 1785 CB GLN A 447 20.303 63.642 45.695 1.00 52.57 C +ATOM 1786 CG GLN A 447 21.489 64.485 46.156 1.00 51.21 C +ATOM 1787 CD GLN A 447 21.080 65.646 47.048 1.00 51.94 C +ATOM 1788 OE1 GLN A 447 20.466 65.452 48.100 1.00 50.86 O +ATOM 1789 NE2 GLN A 447 21.425 66.861 46.634 1.00 52.10 N +ATOM 1790 N VAL A 448 19.243 61.298 43.313 1.00 45.97 N +ATOM 1791 CA VAL A 448 18.068 60.551 42.868 1.00 46.48 C +ATOM 1792 C VAL A 448 17.956 59.148 43.469 1.00 45.49 C +ATOM 1793 O VAL A 448 16.912 58.785 44.015 1.00 42.49 O +ATOM 1794 CB VAL A 448 18.028 60.440 41.328 1.00 49.22 C +ATOM 1795 CG1 VAL A 448 16.900 59.510 40.899 1.00 50.34 C +ATOM 1796 CG2 VAL A 448 17.812 61.818 40.716 1.00 49.59 C +ATOM 1797 N TYR A 449 19.024 58.364 43.376 1.00 47.29 N +ATOM 1798 CA TYR A 449 19.008 57.005 43.911 1.00 51.96 C +ATOM 1799 C TYR A 449 18.588 56.990 45.380 1.00 53.31 C +ATOM 1800 O TYR A 449 17.585 56.368 45.743 1.00 53.97 O +ATOM 1801 CB TYR A 449 20.387 56.358 43.771 1.00 55.13 C +ATOM 1802 CG TYR A 449 20.403 54.895 44.162 1.00 59.27 C +ATOM 1803 CD1 TYR A 449 20.084 53.900 43.240 1.00 60.22 C +ATOM 1804 CD2 TYR A 449 20.727 54.506 45.459 1.00 61.07 C +ATOM 1805 CE1 TYR A 449 20.091 52.551 43.601 1.00 61.22 C +ATOM 1806 CE2 TYR A 449 20.737 53.164 45.831 1.00 61.46 C +ATOM 1807 CZ TYR A 449 20.420 52.192 44.900 1.00 62.51 C +ATOM 1808 OH TYR A 449 20.442 50.866 45.269 1.00 61.23 O +ATOM 1809 N GLU A 450 19.362 57.678 46.217 1.00 52.82 N +ATOM 1810 CA GLU A 450 19.086 57.756 47.647 1.00 51.29 C +ATOM 1811 C GLU A 450 17.614 58.040 47.914 1.00 49.29 C +ATOM 1812 O GLU A 450 16.995 57.412 48.776 1.00 46.98 O +ATOM 1813 CB GLU A 450 19.952 58.848 48.278 1.00 59.35 C +ATOM 1814 CG GLU A 450 21.437 58.540 48.244 1.00 64.32 C +ATOM 1815 CD GLU A 450 21.842 57.528 49.300 1.00 71.07 C +ATOM 1816 OE1 GLU A 450 22.363 57.945 50.358 1.00 72.58 O +ATOM 1817 OE2 GLU A 450 21.627 56.316 49.079 1.00 74.91 O +ATOM 1818 N LEU A 451 17.058 58.993 47.173 1.00 49.40 N +ATOM 1819 CA LEU A 451 15.654 59.357 47.325 1.00 45.11 C +ATOM 1820 C LEU A 451 14.745 58.187 46.949 1.00 45.53 C +ATOM 1821 O LEU A 451 13.796 57.873 47.672 1.00 42.48 O +ATOM 1822 CB LEU A 451 15.332 60.578 46.457 1.00 45.36 C +ATOM 1823 CG LEU A 451 15.856 61.922 46.977 1.00 46.32 C +ATOM 1824 CD1 LEU A 451 15.806 62.973 45.877 1.00 40.73 C +ATOM 1825 CD2 LEU A 451 15.017 62.350 48.175 1.00 43.04 C +ATOM 1826 N LEU A 452 15.034 57.542 45.820 1.00 46.82 N +ATOM 1827 CA LEU A 452 14.226 56.409 45.380 1.00 47.93 C +ATOM 1828 C LEU A 452 14.308 55.322 46.445 1.00 49.34 C +ATOM 1829 O LEU A 452 13.338 54.609 46.700 1.00 49.13 O +ATOM 1830 CB LEU A 452 14.728 55.878 44.026 1.00 44.58 C +ATOM 1831 CG LEU A 452 14.580 56.813 42.818 1.00 39.32 C +ATOM 1832 CD1 LEU A 452 15.237 56.188 41.601 1.00 41.27 C +ATOM 1833 CD2 LEU A 452 13.108 57.082 42.545 1.00 38.87 C +ATOM 1834 N GLU A 453 15.472 55.214 47.076 1.00 50.89 N +ATOM 1835 CA GLU A 453 15.678 54.228 48.124 1.00 55.27 C +ATOM 1836 C GLU A 453 14.877 54.641 49.351 1.00 56.68 C +ATOM 1837 O GLU A 453 14.348 53.793 50.070 1.00 58.95 O +ATOM 1838 CB GLU A 453 17.161 54.131 48.473 1.00 58.31 C +ATOM 1839 CG GLU A 453 17.497 53.009 49.430 1.00 63.64 C +ATOM 1840 CD GLU A 453 18.983 52.915 49.702 1.00 69.78 C +ATOM 1841 OE1 GLU A 453 19.565 53.911 50.187 1.00 72.96 O +ATOM 1842 OE2 GLU A 453 19.571 51.846 49.431 1.00 72.44 O +ATOM 1843 N LYS A 454 14.792 55.949 49.586 1.00 58.24 N +ATOM 1844 CA LYS A 454 14.036 56.481 50.720 1.00 60.19 C +ATOM 1845 C LYS A 454 12.546 56.395 50.416 1.00 58.87 C +ATOM 1846 O LYS A 454 11.719 56.901 51.171 1.00 58.04 O +ATOM 1847 CB LYS A 454 14.410 57.942 50.987 1.00 63.96 C +ATOM 1848 CG LYS A 454 15.754 58.154 51.664 1.00 65.94 C +ATOM 1849 CD LYS A 454 15.752 57.606 53.078 1.00 68.50 C +ATOM 1850 CE LYS A 454 16.910 58.173 53.882 1.00 70.51 C +ATOM 1851 NZ LYS A 454 18.209 57.996 53.181 1.00 70.82 N +ATOM 1852 N ASP A 455 12.227 55.761 49.289 1.00 58.99 N +ATOM 1853 CA ASP A 455 10.856 55.561 48.830 1.00 57.00 C +ATOM 1854 C ASP A 455 10.197 56.793 48.224 1.00 53.15 C +ATOM 1855 O ASP A 455 8.971 56.882 48.168 1.00 50.26 O +ATOM 1856 CB ASP A 455 9.988 55.014 49.965 1.00 62.26 C +ATOM 1857 CG ASP A 455 10.467 53.664 50.460 1.00 69.37 C +ATOM 1858 OD1 ASP A 455 10.491 52.706 49.656 1.00 72.07 O +ATOM 1859 OD2 ASP A 455 10.825 53.559 51.654 1.00 74.47 O +ATOM 1860 N TYR A 456 11.008 57.743 47.770 1.00 51.81 N +ATOM 1861 CA TYR A 456 10.477 58.947 47.140 1.00 50.56 C +ATOM 1862 C TYR A 456 10.123 58.613 45.694 1.00 50.60 C +ATOM 1863 O TYR A 456 10.835 57.851 45.042 1.00 49.50 O +ATOM 1864 CB TYR A 456 11.514 60.072 47.141 1.00 50.12 C +ATOM 1865 CG TYR A 456 11.021 61.322 46.443 1.00 50.26 C +ATOM 1866 CD1 TYR A 456 10.020 62.111 47.011 1.00 49.01 C +ATOM 1867 CD2 TYR A 456 11.524 61.695 45.199 1.00 52.02 C +ATOM 1868 CE1 TYR A 456 9.530 63.241 46.358 1.00 51.77 C +ATOM 1869 CE2 TYR A 456 11.040 62.827 44.532 1.00 55.56 C +ATOM 1870 CZ TYR A 456 10.043 63.595 45.119 1.00 53.61 C +ATOM 1871 OH TYR A 456 9.571 64.719 44.480 1.00 53.27 O +ATOM 1872 N ARG A 457 9.028 59.185 45.201 1.00 51.78 N +ATOM 1873 CA ARG A 457 8.577 58.963 43.826 1.00 55.14 C +ATOM 1874 C ARG A 457 7.911 60.239 43.318 1.00 56.75 C +ATOM 1875 O ARG A 457 7.426 61.042 44.113 1.00 58.90 O +ATOM 1876 CB ARG A 457 7.573 57.809 43.774 1.00 52.99 C +ATOM 1877 CG ARG A 457 8.137 56.452 44.175 1.00 53.17 C +ATOM 1878 CD ARG A 457 9.058 55.873 43.112 1.00 50.89 C +ATOM 1879 NE ARG A 457 9.477 54.516 43.456 1.00 49.73 N +ATOM 1880 CZ ARG A 457 10.377 54.218 44.389 1.00 50.62 C +ATOM 1881 NH1 ARG A 457 10.972 55.183 45.079 1.00 53.12 N +ATOM 1882 NH2 ARG A 457 10.672 52.952 44.647 1.00 46.08 N +ATOM 1883 N MET A 458 7.884 60.434 42.002 1.00 55.27 N +ATOM 1884 CA MET A 458 7.256 61.632 41.445 1.00 54.03 C +ATOM 1885 C MET A 458 5.763 61.697 41.768 1.00 54.51 C +ATOM 1886 O MET A 458 5.062 60.682 41.753 1.00 52.07 O +ATOM 1887 CB MET A 458 7.461 61.694 39.930 1.00 51.84 C +ATOM 1888 CG MET A 458 8.898 61.980 39.511 1.00 52.53 C +ATOM 1889 SD MET A 458 9.052 62.406 37.756 1.00 50.27 S +ATOM 1890 CE MET A 458 9.185 60.773 37.014 1.00 53.19 C +ATOM 1891 N GLU A 459 5.281 62.899 42.067 1.00 55.54 N +ATOM 1892 CA GLU A 459 3.875 63.099 42.404 1.00 60.21 C +ATOM 1893 C GLU A 459 2.999 62.944 41.165 1.00 58.56 C +ATOM 1894 O GLU A 459 3.473 63.070 40.038 1.00 57.22 O +ATOM 1895 CB GLU A 459 3.667 64.499 42.994 1.00 64.10 C +ATOM 1896 CG GLU A 459 3.758 65.605 41.952 1.00 70.85 C +ATOM 1897 CD GLU A 459 3.926 66.984 42.556 1.00 75.29 C +ATOM 1898 OE1 GLU A 459 2.964 67.504 43.158 1.00 81.29 O +ATOM 1899 OE2 GLU A 459 5.033 67.547 42.428 1.00 78.58 O +ATOM 1900 N ARG A 460 1.717 62.680 41.386 1.00 60.05 N +ATOM 1901 CA ARG A 460 0.766 62.524 40.294 1.00 62.94 C +ATOM 1902 C ARG A 460 0.609 63.834 39.530 1.00 64.04 C +ATOM 1903 O ARG A 460 0.169 64.839 40.088 1.00 63.65 O +ATOM 1904 CB ARG A 460 -0.596 62.093 40.836 1.00 63.24 C +ATOM 1905 CG ARG A 460 -1.652 61.901 39.764 1.00 64.84 C +ATOM 1906 CD ARG A 460 -2.975 61.481 40.375 1.00 67.95 C +ATOM 1907 NE ARG A 460 -3.519 62.517 41.248 1.00 70.94 N +ATOM 1908 CZ ARG A 460 -4.041 63.661 40.817 1.00 70.93 C +ATOM 1909 NH1 ARG A 460 -4.098 63.921 39.517 1.00 69.55 N +ATOM 1910 NH2 ARG A 460 -4.503 64.549 41.688 1.00 71.16 N +ATOM 1911 N PRO A 461 0.969 63.838 38.237 1.00 64.18 N +ATOM 1912 CA PRO A 461 0.853 65.049 37.422 1.00 65.75 C +ATOM 1913 C PRO A 461 -0.574 65.580 37.428 1.00 67.05 C +ATOM 1914 O PRO A 461 -1.532 64.809 37.519 1.00 65.35 O +ATOM 1915 CB PRO A 461 1.281 64.574 36.036 1.00 65.02 C +ATOM 1916 CG PRO A 461 2.252 63.478 36.343 1.00 65.94 C +ATOM 1917 CD PRO A 461 1.550 62.735 37.454 1.00 63.92 C +ATOM 1918 N GLU A 462 -0.712 66.897 37.332 1.00 69.32 N +ATOM 1919 CA GLU A 462 -2.026 67.518 37.323 1.00 71.44 C +ATOM 1920 C GLU A 462 -2.838 66.981 36.149 1.00 71.53 C +ATOM 1921 O GLU A 462 -2.349 66.918 35.020 1.00 71.45 O +ATOM 1922 CB GLU A 462 -1.882 69.038 37.216 1.00 75.79 C +ATOM 1923 CG GLU A 462 -3.198 69.798 37.175 1.00 81.37 C +ATOM 1924 CD GLU A 462 -2.995 71.303 37.146 1.00 86.96 C +ATOM 1925 OE1 GLU A 462 -2.254 71.787 36.264 1.00 87.47 O +ATOM 1926 OE2 GLU A 462 -3.577 72.001 38.004 1.00 89.99 O +ATOM 1927 N GLY A 463 -4.075 66.578 36.424 1.00 70.47 N +ATOM 1928 CA GLY A 463 -4.930 66.061 35.370 1.00 70.15 C +ATOM 1929 C GLY A 463 -4.681 64.611 35.000 1.00 68.46 C +ATOM 1930 O GLY A 463 -5.332 64.077 34.101 1.00 68.00 O +ATOM 1931 N CYS A 464 -3.737 63.971 35.681 1.00 67.42 N +ATOM 1932 CA CYS A 464 -3.428 62.573 35.407 1.00 67.39 C +ATOM 1933 C CYS A 464 -4.394 61.658 36.146 1.00 68.10 C +ATOM 1934 O CYS A 464 -4.424 61.635 37.377 1.00 68.74 O +ATOM 1935 CB CYS A 464 -1.998 62.237 35.833 1.00 63.92 C +ATOM 1936 SG CYS A 464 -1.581 60.486 35.645 1.00 61.70 S +ATOM 1937 N PRO A 465 -5.195 60.885 35.400 1.00 69.30 N +ATOM 1938 CA PRO A 465 -6.158 59.970 36.020 1.00 69.97 C +ATOM 1939 C PRO A 465 -5.531 59.083 37.095 1.00 70.99 C +ATOM 1940 O PRO A 465 -4.382 58.655 36.977 1.00 68.49 O +ATOM 1941 CB PRO A 465 -6.703 59.178 34.829 1.00 69.78 C +ATOM 1942 CG PRO A 465 -5.616 59.295 33.792 1.00 70.34 C +ATOM 1943 CD PRO A 465 -5.177 60.718 33.939 1.00 69.14 C +ATOM 1944 N GLU A 466 -6.301 58.820 38.147 1.00 72.81 N +ATOM 1945 CA GLU A 466 -5.842 58.003 39.263 1.00 72.30 C +ATOM 1946 C GLU A 466 -5.333 56.648 38.796 1.00 68.46 C +ATOM 1947 O GLU A 466 -4.277 56.189 39.231 1.00 67.22 O +ATOM 1948 CB GLU A 466 -6.978 57.806 40.269 1.00 76.45 C +ATOM 1949 CG GLU A 466 -6.516 57.838 41.710 1.00 83.68 C +ATOM 1950 CD GLU A 466 -5.793 59.132 42.047 1.00 88.14 C +ATOM 1951 OE1 GLU A 466 -6.403 60.215 41.899 1.00 89.70 O +ATOM 1952 OE2 GLU A 466 -4.613 59.065 42.453 1.00 89.82 O +ATOM 1953 N LYS A 467 -6.092 56.016 37.909 1.00 64.14 N +ATOM 1954 CA LYS A 467 -5.731 54.711 37.371 1.00 62.28 C +ATOM 1955 C LYS A 467 -4.357 54.720 36.704 1.00 59.44 C +ATOM 1956 O LYS A 467 -3.559 53.800 36.894 1.00 55.02 O +ATOM 1957 CB LYS A 467 -6.784 54.257 36.358 1.00 65.80 C +ATOM 1958 CG LYS A 467 -8.020 53.609 36.961 1.00 71.05 C +ATOM 1959 CD LYS A 467 -7.749 52.156 37.320 1.00 75.50 C +ATOM 1960 CE LYS A 467 -9.025 51.435 37.727 1.00 79.99 C +ATOM 1961 NZ LYS A 467 -8.795 49.979 37.971 1.00 80.66 N +ATOM 1962 N VAL A 468 -4.086 55.756 35.916 1.00 55.77 N +ATOM 1963 CA VAL A 468 -2.807 55.852 35.223 1.00 53.01 C +ATOM 1964 C VAL A 468 -1.667 56.073 36.207 1.00 51.09 C +ATOM 1965 O VAL A 468 -0.580 55.532 36.032 1.00 52.05 O +ATOM 1966 CB VAL A 468 -2.821 56.989 34.171 1.00 51.50 C +ATOM 1967 CG1 VAL A 468 -1.442 57.140 33.536 1.00 48.23 C +ATOM 1968 CG2 VAL A 468 -3.846 56.674 33.096 1.00 49.44 C +ATOM 1969 N TYR A 469 -1.915 56.863 37.246 1.00 51.00 N +ATOM 1970 CA TYR A 469 -0.884 57.119 38.243 1.00 50.70 C +ATOM 1971 C TYR A 469 -0.615 55.838 39.029 1.00 50.71 C +ATOM 1972 O TYR A 469 0.519 55.557 39.413 1.00 46.96 O +ATOM 1973 CB TYR A 469 -1.317 58.233 39.197 1.00 49.34 C +ATOM 1974 CG TYR A 469 -0.236 58.625 40.169 1.00 54.37 C +ATOM 1975 CD1 TYR A 469 1.005 59.064 39.712 1.00 53.37 C +ATOM 1976 CD2 TYR A 469 -0.441 58.547 41.547 1.00 56.56 C +ATOM 1977 CE1 TYR A 469 2.015 59.413 40.596 1.00 54.27 C +ATOM 1978 CE2 TYR A 469 0.568 58.898 42.445 1.00 54.26 C +ATOM 1979 CZ TYR A 469 1.795 59.331 41.959 1.00 53.40 C +ATOM 1980 OH TYR A 469 2.808 59.685 42.826 1.00 47.77 O +ATOM 1981 N GLU A 470 -1.670 55.065 39.270 1.00 53.70 N +ATOM 1982 CA GLU A 470 -1.533 53.806 39.991 1.00 56.31 C +ATOM 1983 C GLU A 470 -0.601 52.917 39.185 1.00 53.31 C +ATOM 1984 O GLU A 470 0.196 52.170 39.742 1.00 52.12 O +ATOM 1985 CB GLU A 470 -2.888 53.105 40.132 1.00 62.02 C +ATOM 1986 CG GLU A 470 -3.964 53.919 40.830 1.00 70.36 C +ATOM 1987 CD GLU A 470 -5.311 53.216 40.832 1.00 75.88 C +ATOM 1988 OE1 GLU A 470 -6.308 53.840 41.260 1.00 79.06 O +ATOM 1989 OE2 GLU A 470 -5.372 52.040 40.409 1.00 75.61 O +ATOM 1990 N LEU A 471 -0.714 53.007 37.862 1.00 51.94 N +ATOM 1991 CA LEU A 471 0.115 52.211 36.966 1.00 49.80 C +ATOM 1992 C LEU A 471 1.567 52.667 37.059 1.00 46.47 C +ATOM 1993 O LEU A 471 2.491 51.855 37.025 1.00 47.16 O +ATOM 1994 CB LEU A 471 -0.397 52.345 35.530 1.00 50.15 C +ATOM 1995 CG LEU A 471 -0.529 51.046 34.732 1.00 52.51 C +ATOM 1996 CD1 LEU A 471 -1.283 50.016 35.548 1.00 50.29 C +ATOM 1997 CD2 LEU A 471 -1.260 51.319 33.428 1.00 54.82 C +ATOM 1998 N MET A 472 1.755 53.975 37.187 1.00 46.13 N +ATOM 1999 CA MET A 472 3.083 54.569 37.294 1.00 47.19 C +ATOM 2000 C MET A 472 3.853 54.035 38.504 1.00 48.52 C +ATOM 2001 O MET A 472 5.021 53.650 38.395 1.00 42.21 O +ATOM 2002 CB MET A 472 2.954 56.083 37.422 1.00 46.06 C +ATOM 2003 CG MET A 472 3.520 56.869 36.263 1.00 48.62 C +ATOM 2004 SD MET A 472 3.354 58.628 36.595 1.00 52.19 S +ATOM 2005 CE MET A 472 1.937 59.029 35.602 1.00 49.27 C +ATOM 2006 N ARG A 473 3.192 54.030 39.659 1.00 49.41 N +ATOM 2007 CA ARG A 473 3.805 53.560 40.898 1.00 49.23 C +ATOM 2008 C ARG A 473 4.142 52.072 40.893 1.00 48.68 C +ATOM 2009 O ARG A 473 5.106 51.651 41.539 1.00 45.18 O +ATOM 2010 CB ARG A 473 2.899 53.879 42.088 1.00 52.52 C +ATOM 2011 CG ARG A 473 2.875 55.352 42.475 1.00 55.89 C +ATOM 2012 CD ARG A 473 4.288 55.865 42.716 1.00 61.17 C +ATOM 2013 NE ARG A 473 4.311 57.145 43.418 1.00 68.71 N +ATOM 2014 CZ ARG A 473 4.001 57.299 44.701 1.00 66.63 C +ATOM 2015 NH1 ARG A 473 3.643 56.250 45.430 1.00 67.60 N +ATOM 2016 NH2 ARG A 473 4.053 58.500 45.257 1.00 68.23 N +ATOM 2017 N ALA A 474 3.354 51.278 40.172 1.00 47.04 N +ATOM 2018 CA ALA A 474 3.603 49.842 40.093 1.00 42.73 C +ATOM 2019 C ALA A 474 4.870 49.596 39.273 1.00 46.26 C +ATOM 2020 O ALA A 474 5.603 48.631 39.512 1.00 44.07 O +ATOM 2021 CB ALA A 474 2.417 49.141 39.456 1.00 41.50 C +ATOM 2022 N CYS A 475 5.119 50.475 38.304 1.00 43.71 N +ATOM 2023 CA CYS A 475 6.308 50.368 37.461 1.00 45.05 C +ATOM 2024 C CYS A 475 7.528 50.809 38.253 1.00 43.44 C +ATOM 2025 O CYS A 475 8.655 50.432 37.928 1.00 43.80 O +ATOM 2026 CB CYS A 475 6.188 51.259 36.216 1.00 41.33 C +ATOM 2027 SG CYS A 475 4.878 50.805 35.056 1.00 48.04 S +ATOM 2028 N TRP A 476 7.294 51.608 39.293 1.00 45.82 N +ATOM 2029 CA TRP A 476 8.381 52.119 40.120 1.00 45.18 C +ATOM 2030 C TRP A 476 8.626 51.366 41.433 1.00 49.86 C +ATOM 2031 O TRP A 476 9.133 51.943 42.397 1.00 49.70 O +ATOM 2032 CB TRP A 476 8.159 53.603 40.424 1.00 44.99 C +ATOM 2033 CG TRP A 476 8.132 54.485 39.204 1.00 45.67 C +ATOM 2034 CD1 TRP A 476 8.782 54.274 38.019 1.00 43.46 C +ATOM 2035 CD2 TRP A 476 7.458 55.740 39.072 1.00 45.46 C +ATOM 2036 NE1 TRP A 476 8.552 55.321 37.158 1.00 46.19 N +ATOM 2037 CE2 TRP A 476 7.743 56.236 37.779 1.00 46.04 C +ATOM 2038 CE3 TRP A 476 6.641 56.498 39.922 1.00 44.62 C +ATOM 2039 CZ2 TRP A 476 7.238 57.455 37.316 1.00 44.66 C +ATOM 2040 CZ3 TRP A 476 6.140 57.708 39.461 1.00 47.22 C +ATOM 2041 CH2 TRP A 476 6.441 58.174 38.168 1.00 47.08 C +ATOM 2042 N GLN A 477 8.267 50.087 41.479 1.00 48.85 N +ATOM 2043 CA GLN A 477 8.503 49.287 42.676 1.00 49.78 C +ATOM 2044 C GLN A 477 10.009 49.087 42.766 1.00 50.11 C +ATOM 2045 O GLN A 477 10.665 48.833 41.755 1.00 51.08 O +ATOM 2046 CB GLN A 477 7.811 47.930 42.562 1.00 54.52 C +ATOM 2047 CG GLN A 477 6.297 47.993 42.635 1.00 60.61 C +ATOM 2048 CD GLN A 477 5.800 48.322 44.026 1.00 66.45 C +ATOM 2049 OE1 GLN A 477 6.120 47.626 44.990 1.00 68.24 O +ATOM 2050 NE2 GLN A 477 5.012 49.384 44.139 1.00 69.61 N +ATOM 2051 N TRP A 478 10.563 49.206 43.968 1.00 49.87 N +ATOM 2052 CA TRP A 478 12.001 49.048 44.146 1.00 50.14 C +ATOM 2053 C TRP A 478 12.476 47.691 43.637 1.00 49.59 C +ATOM 2054 O TRP A 478 13.514 47.588 42.977 1.00 46.63 O +ATOM 2055 CB TRP A 478 12.375 49.225 45.624 1.00 48.96 C +ATOM 2056 CG TRP A 478 13.853 49.181 45.879 1.00 48.33 C +ATOM 2057 CD1 TRP A 478 14.586 48.099 46.284 1.00 50.54 C +ATOM 2058 CD2 TRP A 478 14.785 50.256 45.710 1.00 46.98 C +ATOM 2059 NE1 TRP A 478 15.916 48.436 46.377 1.00 47.39 N +ATOM 2060 CE2 TRP A 478 16.066 49.753 46.031 1.00 48.77 C +ATOM 2061 CE3 TRP A 478 14.663 51.596 45.317 1.00 49.23 C +ATOM 2062 CZ2 TRP A 478 17.219 50.546 45.972 1.00 49.11 C +ATOM 2063 CZ3 TRP A 478 15.808 52.384 45.258 1.00 43.38 C +ATOM 2064 CH2 TRP A 478 17.070 51.855 45.585 1.00 48.21 C +ATOM 2065 N ASN A 479 11.706 46.653 43.938 1.00 50.10 N +ATOM 2066 CA ASN A 479 12.042 45.300 43.511 1.00 54.66 C +ATOM 2067 C ASN A 479 11.463 45.063 42.116 1.00 52.30 C +ATOM 2068 O ASN A 479 10.251 45.142 41.921 1.00 54.44 O +ATOM 2069 CB ASN A 479 11.457 44.293 44.511 1.00 59.26 C +ATOM 2070 CG ASN A 479 11.993 42.890 44.311 1.00 65.89 C +ATOM 2071 OD1 ASN A 479 13.041 42.699 43.693 1.00 69.39 O +ATOM 2072 ND2 ASN A 479 11.281 41.899 44.842 1.00 67.31 N +ATOM 2073 N PRO A 480 12.321 44.779 41.122 1.00 53.06 N +ATOM 2074 CA PRO A 480 11.827 44.543 39.761 1.00 52.94 C +ATOM 2075 C PRO A 480 10.774 43.440 39.655 1.00 55.12 C +ATOM 2076 O PRO A 480 9.769 43.594 38.955 1.00 50.26 O +ATOM 2077 CB PRO A 480 13.102 44.218 38.980 1.00 54.23 C +ATOM 2078 CG PRO A 480 14.039 43.692 40.032 1.00 52.53 C +ATOM 2079 CD PRO A 480 13.784 44.627 41.179 1.00 50.98 C +ATOM 2080 N SER A 481 10.994 42.337 40.361 1.00 54.25 N +ATOM 2081 CA SER A 481 10.051 41.228 40.317 1.00 57.76 C +ATOM 2082 C SER A 481 8.648 41.678 40.727 1.00 56.46 C +ATOM 2083 O SER A 481 7.662 41.011 40.415 1.00 53.48 O +ATOM 2084 CB SER A 481 10.515 40.093 41.238 1.00 59.65 C +ATOM 2085 OG SER A 481 10.358 40.444 42.604 1.00 66.29 O +ATOM 2086 N ASP A 482 8.559 42.811 41.418 1.00 54.81 N +ATOM 2087 CA ASP A 482 7.264 43.315 41.861 1.00 55.31 C +ATOM 2088 C ASP A 482 6.592 44.256 40.870 1.00 54.17 C +ATOM 2089 O ASP A 482 5.469 44.705 41.094 1.00 55.08 O +ATOM 2090 CB ASP A 482 7.408 44.004 43.215 1.00 60.59 C +ATOM 2091 CG ASP A 482 7.686 43.020 44.334 1.00 67.73 C +ATOM 2092 OD1 ASP A 482 6.862 42.099 44.523 1.00 69.33 O +ATOM 2093 OD2 ASP A 482 8.722 43.163 45.019 1.00 69.94 O +ATOM 2094 N ARG A 483 7.275 44.550 39.771 1.00 52.29 N +ATOM 2095 CA ARG A 483 6.717 45.433 38.754 1.00 50.35 C +ATOM 2096 C ARG A 483 5.863 44.625 37.790 1.00 50.49 C +ATOM 2097 O ARG A 483 6.206 43.496 37.442 1.00 49.11 O +ATOM 2098 CB ARG A 483 7.838 46.119 37.980 1.00 48.17 C +ATOM 2099 CG ARG A 483 8.717 47.000 38.838 1.00 46.36 C +ATOM 2100 CD ARG A 483 10.010 47.336 38.131 1.00 41.12 C +ATOM 2101 NE ARG A 483 10.938 47.970 39.054 1.00 38.94 N +ATOM 2102 CZ ARG A 483 12.255 47.980 38.899 1.00 41.17 C +ATOM 2103 NH1 ARG A 483 12.804 47.391 37.846 1.00 39.08 N +ATOM 2104 NH2 ARG A 483 13.022 48.565 39.808 1.00 42.46 N +ATOM 2105 N PRO A 484 4.736 45.193 37.342 1.00 49.44 N +ATOM 2106 CA PRO A 484 3.884 44.453 36.410 1.00 48.53 C +ATOM 2107 C PRO A 484 4.629 44.177 35.107 1.00 50.59 C +ATOM 2108 O PRO A 484 5.647 44.811 34.816 1.00 49.27 O +ATOM 2109 CB PRO A 484 2.696 45.389 36.221 1.00 50.39 C +ATOM 2110 CG PRO A 484 3.330 46.751 36.352 1.00 50.26 C +ATOM 2111 CD PRO A 484 4.246 46.569 37.535 1.00 47.87 C +ATOM 2112 N SER A 485 4.138 43.214 34.335 1.00 50.52 N +ATOM 2113 CA SER A 485 4.761 42.886 33.062 1.00 47.40 C +ATOM 2114 C SER A 485 4.077 43.782 32.049 1.00 43.83 C +ATOM 2115 O SER A 485 3.009 44.322 32.325 1.00 44.80 O +ATOM 2116 CB SER A 485 4.519 41.420 32.703 1.00 47.74 C +ATOM 2117 OG SER A 485 3.150 41.190 32.423 1.00 48.21 O +ATOM 2118 N PHE A 486 4.684 43.956 30.883 1.00 42.86 N +ATOM 2119 CA PHE A 486 4.072 44.796 29.871 1.00 41.35 C +ATOM 2120 C PHE A 486 2.752 44.202 29.394 1.00 41.79 C +ATOM 2121 O PHE A 486 1.863 44.923 28.939 1.00 44.98 O +ATOM 2122 CB PHE A 486 5.034 45.008 28.704 1.00 37.43 C +ATOM 2123 CG PHE A 486 6.030 46.105 28.948 1.00 41.81 C +ATOM 2124 CD1 PHE A 486 7.387 45.826 29.041 1.00 39.54 C +ATOM 2125 CD2 PHE A 486 5.602 47.421 29.114 1.00 34.69 C +ATOM 2126 CE1 PHE A 486 8.309 46.841 29.300 1.00 42.42 C +ATOM 2127 CE2 PHE A 486 6.509 48.437 29.372 1.00 36.70 C +ATOM 2128 CZ PHE A 486 7.867 48.150 29.467 1.00 35.48 C +ATOM 2129 N ALA A 487 2.621 42.886 29.511 1.00 45.91 N +ATOM 2130 CA ALA A 487 1.393 42.212 29.117 1.00 49.08 C +ATOM 2131 C ALA A 487 0.266 42.733 30.009 1.00 50.42 C +ATOM 2132 O ALA A 487 -0.830 43.031 29.530 1.00 54.72 O +ATOM 2133 CB ALA A 487 1.547 40.705 29.282 1.00 49.37 C +ATOM 2134 N GLU A 488 0.554 42.853 31.305 1.00 50.50 N +ATOM 2135 CA GLU A 488 -0.413 43.342 32.285 1.00 51.98 C +ATOM 2136 C GLU A 488 -0.651 44.841 32.111 1.00 50.95 C +ATOM 2137 O GLU A 488 -1.780 45.327 32.249 1.00 48.37 O +ATOM 2138 CB GLU A 488 0.097 43.090 33.706 1.00 54.53 C +ATOM 2139 CG GLU A 488 0.665 41.702 33.933 1.00 64.02 C +ATOM 2140 CD GLU A 488 1.279 41.545 35.312 1.00 67.36 C +ATOM 2141 OE1 GLU A 488 2.050 40.583 35.515 1.00 71.68 O +ATOM 2142 OE2 GLU A 488 0.986 42.379 36.197 1.00 71.28 O +ATOM 2143 N ILE A 489 0.422 45.576 31.830 1.00 46.98 N +ATOM 2144 CA ILE A 489 0.314 47.014 31.638 1.00 43.71 C +ATOM 2145 C ILE A 489 -0.578 47.317 30.447 1.00 40.95 C +ATOM 2146 O ILE A 489 -1.479 48.146 30.531 1.00 41.38 O +ATOM 2147 CB ILE A 489 1.691 47.663 31.385 1.00 41.58 C +ATOM 2148 CG1 ILE A 489 2.603 47.441 32.590 1.00 36.52 C +ATOM 2149 CG2 ILE A 489 1.514 49.150 31.108 1.00 41.39 C +ATOM 2150 CD1 ILE A 489 4.004 47.974 32.406 1.00 38.62 C +ATOM 2151 N HIS A 490 -0.323 46.640 29.335 1.00 44.71 N +ATOM 2152 CA HIS A 490 -1.109 46.861 28.125 1.00 48.32 C +ATOM 2153 C HIS A 490 -2.571 46.487 28.329 1.00 48.97 C +ATOM 2154 O HIS A 490 -3.476 47.247 27.973 1.00 49.76 O +ATOM 2155 CB HIS A 490 -0.539 46.055 26.957 1.00 45.31 C +ATOM 2156 CG HIS A 490 -1.270 46.273 25.669 1.00 47.44 C +ATOM 2157 ND1 HIS A 490 -1.239 47.472 24.991 1.00 46.91 N +ATOM 2158 CD2 HIS A 490 -2.090 45.461 24.960 1.00 48.72 C +ATOM 2159 CE1 HIS A 490 -2.009 47.391 23.921 1.00 48.00 C +ATOM 2160 NE2 HIS A 490 -2.538 46.181 23.879 1.00 48.44 N +ATOM 2161 N GLN A 491 -2.795 45.309 28.901 1.00 53.03 N +ATOM 2162 CA GLN A 491 -4.146 44.830 29.156 1.00 56.41 C +ATOM 2163 C GLN A 491 -4.902 45.881 29.959 1.00 55.69 C +ATOM 2164 O GLN A 491 -6.084 46.123 29.728 1.00 57.31 O +ATOM 2165 CB GLN A 491 -4.092 43.506 29.925 1.00 61.22 C +ATOM 2166 CG GLN A 491 -5.275 42.582 29.663 1.00 67.59 C +ATOM 2167 CD GLN A 491 -4.849 41.133 29.482 1.00 72.60 C +ATOM 2168 OE1 GLN A 491 -4.032 40.819 28.613 1.00 74.60 O +ATOM 2169 NE2 GLN A 491 -5.403 40.242 30.300 1.00 74.53 N +ATOM 2170 N ALA A 492 -4.205 46.518 30.893 1.00 55.72 N +ATOM 2171 CA ALA A 492 -4.818 47.545 31.724 1.00 56.83 C +ATOM 2172 C ALA A 492 -5.237 48.751 30.891 1.00 57.34 C +ATOM 2173 O ALA A 492 -6.353 49.250 31.034 1.00 56.86 O +ATOM 2174 CB ALA A 492 -3.850 47.975 32.822 1.00 57.41 C +ATOM 2175 N PHE A 493 -4.346 49.213 30.018 1.00 55.76 N +ATOM 2176 CA PHE A 493 -4.641 50.368 29.178 1.00 57.89 C +ATOM 2177 C PHE A 493 -5.808 50.146 28.228 1.00 61.72 C +ATOM 2178 O PHE A 493 -6.607 51.057 28.006 1.00 62.32 O +ATOM 2179 CB PHE A 493 -3.400 50.786 28.385 1.00 55.29 C +ATOM 2180 CG PHE A 493 -2.491 51.710 29.137 1.00 50.76 C +ATOM 2181 CD1 PHE A 493 -2.892 53.009 29.428 1.00 45.79 C +ATOM 2182 CD2 PHE A 493 -1.246 51.277 29.580 1.00 49.18 C +ATOM 2183 CE1 PHE A 493 -2.065 53.866 30.155 1.00 45.54 C +ATOM 2184 CE2 PHE A 493 -0.413 52.127 30.308 1.00 49.47 C +ATOM 2185 CZ PHE A 493 -0.824 53.422 30.596 1.00 47.31 C +ATOM 2186 N GLU A 494 -5.907 48.948 27.658 1.00 65.64 N +ATOM 2187 CA GLU A 494 -7.010 48.654 26.750 1.00 69.23 C +ATOM 2188 C GLU A 494 -8.303 48.889 27.511 1.00 70.47 C +ATOM 2189 O GLU A 494 -9.170 49.651 27.075 1.00 71.00 O +ATOM 2190 CB GLU A 494 -6.952 47.204 26.264 1.00 69.70 C +ATOM 2191 CG GLU A 494 -5.901 46.953 25.200 1.00 75.75 C +ATOM 2192 CD GLU A 494 -5.937 45.532 24.668 1.00 78.42 C +ATOM 2193 OE1 GLU A 494 -5.707 44.592 25.460 1.00 80.85 O +ATOM 2194 OE2 GLU A 494 -6.196 45.356 23.456 1.00 76.73 O +ATOM 2195 N THR A 495 -8.417 48.232 28.660 1.00 70.96 N +ATOM 2196 CA THR A 495 -9.589 48.369 29.505 1.00 71.99 C +ATOM 2197 C THR A 495 -9.893 49.850 29.673 1.00 74.44 C +ATOM 2198 O THR A 495 -11.007 50.300 29.410 1.00 75.51 O +ATOM 2199 CB THR A 495 -9.344 47.755 30.890 1.00 70.94 C +ATOM 2200 OG1 THR A 495 -8.954 46.385 30.743 1.00 65.92 O +ATOM 2201 CG2 THR A 495 -10.603 47.831 31.735 1.00 71.01 C +ATOM 2202 N MET A 496 -8.886 50.606 30.099 1.00 76.85 N +ATOM 2203 CA MET A 496 -9.048 52.038 30.304 1.00 79.61 C +ATOM 2204 C MET A 496 -9.516 52.779 29.057 1.00 81.95 C +ATOM 2205 O MET A 496 -10.635 53.288 29.022 1.00 83.24 O +ATOM 2206 CB MET A 496 -7.742 52.660 30.807 1.00 77.29 C +ATOM 2207 CG MET A 496 -7.383 52.281 32.231 1.00 76.43 C +ATOM 2208 SD MET A 496 -6.049 53.293 32.904 1.00 74.72 S +ATOM 2209 CE MET A 496 -4.665 52.174 32.781 1.00 75.06 C +ATOM 2210 N PHE A 497 -8.665 52.834 28.037 1.00 84.26 N +ATOM 2211 CA PHE A 497 -8.996 53.538 26.801 1.00 86.46 C +ATOM 2212 C PHE A 497 -10.446 53.364 26.363 1.00 87.59 C +ATOM 2213 O PHE A 497 -11.081 54.320 25.914 1.00 87.20 O +ATOM 2214 CB PHE A 497 -8.060 53.105 25.665 1.00 86.09 C +ATOM 2215 CG PHE A 497 -8.314 53.825 24.367 1.00 86.00 C +ATOM 2216 CD1 PHE A 497 -9.382 53.464 23.550 1.00 86.70 C +ATOM 2217 CD2 PHE A 497 -7.510 54.892 23.981 1.00 85.79 C +ATOM 2218 CE1 PHE A 497 -9.648 54.158 22.369 1.00 86.33 C +ATOM 2219 CE2 PHE A 497 -7.768 55.592 22.803 1.00 86.11 C +ATOM 2220 CZ PHE A 497 -8.840 55.223 21.996 1.00 85.79 C +ATOM 2221 N GLN A 498 -10.971 52.150 26.494 1.00 89.33 N +ATOM 2222 CA GLN A 498 -12.348 51.884 26.097 1.00 90.51 C +ATOM 2223 C GLN A 498 -13.346 52.524 27.059 1.00 90.96 C +ATOM 2224 O GLN A 498 -12.959 52.814 28.209 1.00 90.48 O +ATOM 2225 CB GLN A 498 -12.594 50.376 26.027 1.00 91.08 C +ATOM 2226 CG GLN A 498 -11.708 49.645 25.027 1.00 93.86 C +ATOM 2227 CD GLN A 498 -11.724 50.288 23.651 1.00 95.40 C +ATOM 2228 OE1 GLN A 498 -12.786 50.586 23.103 1.00 97.19 O +ATOM 2229 NE2 GLN A 498 -10.542 50.497 23.082 1.00 95.74 N +TER 2230 GLN A 498 +ATOM 2231 N MET B 225 8.895 115.777 72.069 1.00 66.21 N +ATOM 2232 CA MET B 225 7.964 115.677 73.229 1.00 67.57 C +ATOM 2233 C MET B 225 8.577 116.332 74.473 1.00 67.86 C +ATOM 2234 O MET B 225 9.799 116.348 74.640 1.00 65.18 O +ATOM 2235 CB MET B 225 7.641 114.206 73.505 1.00 69.59 C +ATOM 2236 CG MET B 225 6.364 113.982 74.294 1.00 74.31 C +ATOM 2237 SD MET B 225 5.924 112.234 74.408 1.00 78.96 S +ATOM 2238 CE MET B 225 5.398 111.927 72.771 1.00 75.85 C +ATOM 2239 N ASP B 226 7.720 116.875 75.335 1.00 67.79 N +ATOM 2240 CA ASP B 226 8.152 117.550 76.561 1.00 65.70 C +ATOM 2241 C ASP B 226 8.642 116.583 77.638 1.00 60.19 C +ATOM 2242 O ASP B 226 7.934 115.651 78.012 1.00 58.11 O +ATOM 2243 CB ASP B 226 7.001 118.404 77.109 1.00 72.35 C +ATOM 2244 CG ASP B 226 7.265 118.916 78.515 1.00 77.69 C +ATOM 2245 OD1 ASP B 226 8.325 119.540 78.739 1.00 80.27 O +ATOM 2246 OD2 ASP B 226 6.406 118.698 79.397 1.00 80.93 O +ATOM 2247 N PRO B 227 9.864 116.804 78.156 1.00 57.95 N +ATOM 2248 CA PRO B 227 10.484 115.970 79.194 1.00 56.85 C +ATOM 2249 C PRO B 227 9.616 115.766 80.431 1.00 59.80 C +ATOM 2250 O PRO B 227 9.603 114.682 81.013 1.00 60.52 O +ATOM 2251 CB PRO B 227 11.767 116.724 79.522 1.00 56.20 C +ATOM 2252 CG PRO B 227 12.113 117.376 78.233 1.00 58.49 C +ATOM 2253 CD PRO B 227 10.774 117.891 77.754 1.00 57.18 C +ATOM 2254 N SER B 228 8.899 116.812 80.833 1.00 61.30 N +ATOM 2255 CA SER B 228 8.032 116.744 82.007 1.00 64.43 C +ATOM 2256 C SER B 228 6.834 115.817 81.792 1.00 66.62 C +ATOM 2257 O SER B 228 6.408 115.119 82.714 1.00 66.74 O +ATOM 2258 CB SER B 228 7.537 118.146 82.373 1.00 61.78 C +ATOM 2259 OG SER B 228 8.629 119.010 82.648 1.00 60.05 O +ATOM 2260 N SER B 229 6.299 115.818 80.574 1.00 68.62 N +ATOM 2261 CA SER B 229 5.151 114.985 80.225 1.00 71.77 C +ATOM 2262 C SER B 229 5.192 113.597 80.847 1.00 72.94 C +ATOM 2263 O SER B 229 6.250 112.971 80.936 1.00 73.97 O +ATOM 2264 CB SER B 229 5.040 114.835 78.708 1.00 73.74 C +ATOM 2265 OG SER B 229 4.090 113.836 78.376 1.00 73.66 O +ATOM 2266 N PRO B 230 4.028 113.098 81.287 1.00 74.05 N +ATOM 2267 CA PRO B 230 3.893 111.777 81.908 1.00 73.39 C +ATOM 2268 C PRO B 230 4.091 110.662 80.885 1.00 71.08 C +ATOM 2269 O PRO B 230 4.531 109.563 81.220 1.00 72.24 O +ATOM 2270 CB PRO B 230 2.462 111.792 82.449 1.00 73.99 C +ATOM 2271 CG PRO B 230 2.173 113.250 82.650 1.00 75.89 C +ATOM 2272 CD PRO B 230 2.775 113.861 81.418 1.00 75.12 C +ATOM 2273 N ASN B 231 3.760 110.964 79.635 1.00 68.00 N +ATOM 2274 CA ASN B 231 3.868 110.001 78.549 1.00 66.50 C +ATOM 2275 C ASN B 231 5.108 110.248 77.689 1.00 62.44 C +ATOM 2276 O ASN B 231 5.112 109.945 76.493 1.00 59.31 O +ATOM 2277 CB ASN B 231 2.616 110.086 77.671 1.00 70.63 C +ATOM 2278 CG ASN B 231 1.334 110.071 78.485 1.00 75.81 C +ATOM 2279 OD1 ASN B 231 1.248 109.395 79.513 1.00 78.04 O +ATOM 2280 ND2 ASN B 231 0.331 110.814 78.027 1.00 75.51 N +ATOM 2281 N TYR B 232 6.161 110.794 78.291 1.00 55.60 N +ATOM 2282 CA TYR B 232 7.370 111.079 77.529 1.00 49.85 C +ATOM 2283 C TYR B 232 7.984 109.837 76.889 1.00 45.78 C +ATOM 2284 O TYR B 232 8.133 108.792 77.522 1.00 43.52 O +ATOM 2285 CB TYR B 232 8.434 111.756 78.400 1.00 45.84 C +ATOM 2286 CG TYR B 232 9.658 112.166 77.601 1.00 40.92 C +ATOM 2287 CD1 TYR B 232 9.637 113.299 76.789 1.00 34.85 C +ATOM 2288 CD2 TYR B 232 10.815 111.384 77.608 1.00 39.96 C +ATOM 2289 CE1 TYR B 232 10.738 113.640 75.999 1.00 39.84 C +ATOM 2290 CE2 TYR B 232 11.922 111.719 76.827 1.00 34.61 C +ATOM 2291 CZ TYR B 232 11.876 112.843 76.027 1.00 34.91 C +ATOM 2292 OH TYR B 232 12.964 113.174 75.259 1.00 37.48 O +ATOM 2293 N ASP B 233 8.331 109.970 75.618 1.00 44.38 N +ATOM 2294 CA ASP B 233 8.966 108.899 74.867 1.00 44.16 C +ATOM 2295 C ASP B 233 10.040 109.600 74.057 1.00 41.65 C +ATOM 2296 O ASP B 233 9.730 110.435 73.207 1.00 42.40 O +ATOM 2297 CB ASP B 233 7.971 108.224 73.924 1.00 49.77 C +ATOM 2298 CG ASP B 233 8.572 107.027 73.212 1.00 56.17 C +ATOM 2299 OD1 ASP B 233 9.699 107.150 72.683 1.00 58.30 O +ATOM 2300 OD2 ASP B 233 7.919 105.964 73.178 1.00 59.83 O +ATOM 2301 N LYS B 234 11.299 109.278 74.329 1.00 40.05 N +ATOM 2302 CA LYS B 234 12.409 109.909 73.625 1.00 37.62 C +ATOM 2303 C LYS B 234 12.375 109.653 72.124 1.00 38.66 C +ATOM 2304 O LYS B 234 12.900 110.447 71.343 1.00 41.84 O +ATOM 2305 CB LYS B 234 13.744 109.414 74.195 1.00 39.42 C +ATOM 2306 CG LYS B 234 13.990 107.927 74.006 1.00 38.82 C +ATOM 2307 CD LYS B 234 15.290 107.476 74.663 1.00 43.01 C +ATOM 2308 CE LYS B 234 15.545 105.988 74.421 1.00 41.65 C +ATOM 2309 NZ LYS B 234 16.740 105.477 75.160 1.00 39.76 N +ATOM 2310 N TRP B 235 11.752 108.553 71.713 1.00 38.60 N +ATOM 2311 CA TRP B 235 11.688 108.212 70.294 1.00 38.95 C +ATOM 2312 C TRP B 235 10.681 109.014 69.472 1.00 43.39 C +ATOM 2313 O TRP B 235 10.825 109.136 68.251 1.00 40.63 O +ATOM 2314 CB TRP B 235 11.416 106.717 70.135 1.00 39.35 C +ATOM 2315 CG TRP B 235 12.536 105.863 70.657 1.00 36.65 C +ATOM 2316 CD1 TRP B 235 12.543 105.126 71.807 1.00 35.18 C +ATOM 2317 CD2 TRP B 235 13.819 105.666 70.045 1.00 35.82 C +ATOM 2318 NE1 TRP B 235 13.748 104.479 71.947 1.00 39.42 N +ATOM 2319 CE2 TRP B 235 14.550 104.794 70.879 1.00 36.56 C +ATOM 2320 CE3 TRP B 235 14.420 106.144 68.871 1.00 37.90 C +ATOM 2321 CZ2 TRP B 235 15.861 104.382 70.576 1.00 40.60 C +ATOM 2322 CZ3 TRP B 235 15.722 105.738 68.569 1.00 42.36 C +ATOM 2323 CH2 TRP B 235 16.427 104.863 69.422 1.00 39.02 C +ATOM 2324 N GLU B 236 9.674 109.575 70.133 1.00 43.19 N +ATOM 2325 CA GLU B 236 8.657 110.358 69.437 1.00 43.64 C +ATOM 2326 C GLU B 236 9.267 111.614 68.836 1.00 46.68 C +ATOM 2327 O GLU B 236 10.049 112.300 69.492 1.00 49.88 O +ATOM 2328 CB GLU B 236 7.537 110.738 70.407 1.00 45.36 C +ATOM 2329 CG GLU B 236 6.782 109.542 70.973 1.00 49.21 C +ATOM 2330 CD GLU B 236 5.810 108.933 69.975 1.00 49.72 C +ATOM 2331 OE1 GLU B 236 5.305 107.817 70.230 1.00 50.59 O +ATOM 2332 OE2 GLU B 236 5.544 109.575 68.939 1.00 47.80 O +ATOM 2333 N MET B 237 8.918 111.919 67.588 1.00 48.00 N +ATOM 2334 CA MET B 237 9.457 113.108 66.942 1.00 53.79 C +ATOM 2335 C MET B 237 8.411 113.878 66.142 1.00 55.92 C +ATOM 2336 O MET B 237 7.283 113.419 65.974 1.00 55.89 O +ATOM 2337 CB MET B 237 10.635 112.733 66.039 1.00 55.54 C +ATOM 2338 CG MET B 237 10.258 112.021 64.755 1.00 61.06 C +ATOM 2339 SD MET B 237 11.726 111.575 63.795 1.00 72.12 S +ATOM 2340 CE MET B 237 12.077 113.124 62.956 1.00 70.36 C +ATOM 2341 N GLU B 238 8.798 115.056 65.660 1.00 60.34 N +ATOM 2342 CA GLU B 238 7.913 115.916 64.874 1.00 65.70 C +ATOM 2343 C GLU B 238 7.861 115.421 63.436 1.00 66.78 C +ATOM 2344 O GLU B 238 8.877 115.434 62.740 1.00 66.60 O +ATOM 2345 CB GLU B 238 8.434 117.359 64.871 1.00 68.39 C +ATOM 2346 CG GLU B 238 8.697 117.958 66.243 1.00 74.19 C +ATOM 2347 CD GLU B 238 7.425 118.304 66.991 1.00 78.42 C +ATOM 2348 OE1 GLU B 238 6.625 119.105 66.462 1.00 80.71 O +ATOM 2349 OE2 GLU B 238 7.229 117.779 68.109 1.00 80.67 O +ATOM 2350 N ARG B 239 6.688 114.986 62.984 1.00 68.99 N +ATOM 2351 CA ARG B 239 6.565 114.507 61.613 1.00 70.84 C +ATOM 2352 C ARG B 239 6.873 115.668 60.676 1.00 72.21 C +ATOM 2353 O ARG B 239 7.241 115.470 59.520 1.00 72.86 O +ATOM 2354 CB ARG B 239 5.156 113.977 61.334 1.00 71.10 C +ATOM 2355 CG ARG B 239 4.057 115.022 61.391 1.00 71.72 C +ATOM 2356 CD ARG B 239 2.823 114.543 60.634 1.00 75.66 C +ATOM 2357 NE ARG B 239 2.374 113.226 61.082 1.00 75.65 N +ATOM 2358 CZ ARG B 239 1.909 112.970 62.300 1.00 77.25 C +ATOM 2359 NH1 ARG B 239 1.829 113.941 63.199 1.00 79.32 N +ATOM 2360 NH2 ARG B 239 1.532 111.742 62.623 1.00 78.28 N +ATOM 2361 N THR B 240 6.727 116.882 61.195 1.00 73.37 N +ATOM 2362 CA THR B 240 6.988 118.086 60.419 1.00 73.68 C +ATOM 2363 C THR B 240 8.463 118.164 60.036 1.00 72.58 C +ATOM 2364 O THR B 240 8.812 118.732 59.003 1.00 72.44 O +ATOM 2365 CB THR B 240 6.619 119.346 61.219 1.00 75.13 C +ATOM 2366 OG1 THR B 240 5.297 119.202 61.752 1.00 76.75 O +ATOM 2367 CG2 THR B 240 6.663 120.574 60.325 1.00 76.54 C +ATOM 2368 N ASP B 241 9.326 117.593 60.872 1.00 71.66 N +ATOM 2369 CA ASP B 241 10.762 117.604 60.610 1.00 72.04 C +ATOM 2370 C ASP B 241 11.141 116.703 59.443 1.00 70.12 C +ATOM 2371 O ASP B 241 12.275 116.741 58.966 1.00 67.35 O +ATOM 2372 CB ASP B 241 11.541 117.159 61.852 1.00 75.25 C +ATOM 2373 CG ASP B 241 11.602 118.230 62.922 1.00 78.87 C +ATOM 2374 OD1 ASP B 241 12.329 118.026 63.918 1.00 81.75 O +ATOM 2375 OD2 ASP B 241 10.929 119.273 62.773 1.00 80.99 O +ATOM 2376 N ILE B 242 10.190 115.897 58.981 1.00 68.88 N +ATOM 2377 CA ILE B 242 10.452 114.981 57.879 1.00 67.96 C +ATOM 2378 C ILE B 242 9.691 115.311 56.601 1.00 67.08 C +ATOM 2379 O ILE B 242 8.512 115.652 56.634 1.00 65.82 O +ATOM 2380 CB ILE B 242 10.129 113.534 58.287 1.00 66.15 C +ATOM 2381 CG1 ILE B 242 10.996 113.136 59.481 1.00 67.37 C +ATOM 2382 CG2 ILE B 242 10.376 112.593 57.118 1.00 66.66 C +ATOM 2383 CD1 ILE B 242 10.715 111.752 60.013 1.00 71.69 C +ATOM 2384 N THR B 243 10.387 115.205 55.474 1.00 68.50 N +ATOM 2385 CA THR B 243 9.802 115.472 54.166 1.00 69.57 C +ATOM 2386 C THR B 243 9.489 114.140 53.493 1.00 70.22 C +ATOM 2387 O THR B 243 10.393 113.419 53.074 1.00 69.63 O +ATOM 2388 CB THR B 243 10.778 116.259 53.266 1.00 68.44 C +ATOM 2389 OG1 THR B 243 11.191 117.453 53.940 1.00 69.70 O +ATOM 2390 CG2 THR B 243 10.112 116.628 51.948 1.00 65.71 C +ATOM 2391 N MET B 244 8.205 113.815 53.396 1.00 71.95 N +ATOM 2392 CA MET B 244 7.784 112.567 52.775 1.00 73.94 C +ATOM 2393 C MET B 244 7.834 112.653 51.258 1.00 76.15 C +ATOM 2394 O MET B 244 7.035 113.356 50.640 1.00 77.32 O +ATOM 2395 CB MET B 244 6.367 112.210 53.220 1.00 75.45 C +ATOM 2396 CG MET B 244 6.264 111.845 54.687 1.00 75.93 C +ATOM 2397 SD MET B 244 7.263 110.401 55.070 1.00 78.51 S +ATOM 2398 CE MET B 244 6.086 109.088 54.734 1.00 74.62 C +ATOM 2399 N LYS B 245 8.778 111.930 50.664 1.00 77.00 N +ATOM 2400 CA LYS B 245 8.928 111.917 49.216 1.00 77.87 C +ATOM 2401 C LYS B 245 8.156 110.772 48.561 1.00 78.75 C +ATOM 2402 O LYS B 245 6.967 110.580 48.820 1.00 78.94 O +ATOM 2403 CB LYS B 245 10.408 111.825 48.835 1.00 78.51 C +ATOM 2404 CG LYS B 245 11.189 113.105 49.069 1.00 79.24 C +ATOM 2405 CD LYS B 245 12.524 113.057 48.348 1.00 80.98 C +ATOM 2406 CE LYS B 245 13.213 114.410 48.367 1.00 80.43 C +ATOM 2407 NZ LYS B 245 14.430 114.414 47.509 1.00 79.56 N +ATOM 2408 N HIS B 246 8.850 110.015 47.716 1.00 78.80 N +ATOM 2409 CA HIS B 246 8.260 108.894 46.988 1.00 78.93 C +ATOM 2410 C HIS B 246 8.473 107.565 47.708 1.00 76.59 C +ATOM 2411 O HIS B 246 9.345 107.448 48.566 1.00 75.62 O +ATOM 2412 CB HIS B 246 8.886 108.817 45.595 1.00 81.37 C +ATOM 2413 CG HIS B 246 10.374 108.663 45.620 1.00 84.31 C +ATOM 2414 ND1 HIS B 246 10.995 107.514 46.063 1.00 86.63 N +ATOM 2415 CD2 HIS B 246 11.366 109.529 45.305 1.00 85.67 C +ATOM 2416 CE1 HIS B 246 12.305 107.680 46.021 1.00 86.24 C +ATOM 2417 NE2 HIS B 246 12.557 108.894 45.565 1.00 86.74 N +ATOM 2418 N LYS B 247 7.678 106.561 47.350 1.00 74.17 N +ATOM 2419 CA LYS B 247 7.811 105.249 47.969 1.00 71.63 C +ATOM 2420 C LYS B 247 9.189 104.683 47.676 1.00 71.80 C +ATOM 2421 O LYS B 247 9.811 105.025 46.671 1.00 73.42 O +ATOM 2422 CB LYS B 247 6.728 104.295 47.457 1.00 70.17 C +ATOM 2423 CG LYS B 247 5.330 104.714 47.863 1.00 66.87 C +ATOM 2424 CD LYS B 247 4.318 103.608 47.662 1.00 67.49 C +ATOM 2425 CE LYS B 247 2.946 104.065 48.139 1.00 66.64 C +ATOM 2426 NZ LYS B 247 1.922 102.995 48.044 1.00 61.51 N +ATOM 2427 N LEU B 248 9.665 103.820 48.564 1.00 71.17 N +ATOM 2428 CA LEU B 248 10.979 103.216 48.411 1.00 71.98 C +ATOM 2429 C LEU B 248 10.925 101.924 47.598 1.00 72.91 C +ATOM 2430 O LEU B 248 9.996 101.128 47.742 1.00 72.43 O +ATOM 2431 CB LEU B 248 11.579 102.936 49.790 1.00 70.53 C +ATOM 2432 CG LEU B 248 12.974 103.501 50.055 1.00 71.32 C +ATOM 2433 CD1 LEU B 248 12.996 104.985 49.753 1.00 68.66 C +ATOM 2434 CD2 LEU B 248 13.352 103.251 51.499 1.00 72.48 C +ATOM 2435 N GLY B 249 11.927 101.732 46.743 1.00 73.39 N +ATOM 2436 CA GLY B 249 12.001 100.537 45.920 1.00 75.31 C +ATOM 2437 C GLY B 249 10.809 100.310 45.006 1.00 76.16 C +ATOM 2438 O GLY B 249 10.339 99.180 44.859 1.00 76.55 O +ATOM 2439 N GLY B 250 10.317 101.380 44.390 1.00 75.60 N +ATOM 2440 CA GLY B 250 9.183 101.255 43.492 1.00 75.30 C +ATOM 2441 C GLY B 250 7.924 100.745 44.169 1.00 76.04 C +ATOM 2442 O GLY B 250 6.958 100.371 43.501 1.00 76.64 O +ATOM 2443 N GLY B 251 7.929 100.723 45.497 1.00 74.35 N +ATOM 2444 CA GLY B 251 6.763 100.260 46.227 1.00 72.74 C +ATOM 2445 C GLY B 251 6.818 98.793 46.606 1.00 69.43 C +ATOM 2446 O GLY B 251 5.811 98.216 47.014 1.00 68.41 O +ATOM 2447 N GLN B 252 7.992 98.185 46.475 1.00 68.49 N +ATOM 2448 CA GLN B 252 8.159 96.777 46.817 1.00 68.17 C +ATOM 2449 C GLN B 252 8.086 96.542 48.328 1.00 67.48 C +ATOM 2450 O GLN B 252 7.977 95.399 48.777 1.00 67.41 O +ATOM 2451 CB GLN B 252 9.497 96.256 46.282 1.00 69.08 C +ATOM 2452 CG GLN B 252 10.713 96.994 46.824 1.00 70.66 C +ATOM 2453 CD GLN B 252 12.026 96.398 46.350 1.00 69.75 C +ATOM 2454 OE1 GLN B 252 12.353 95.251 46.664 1.00 72.19 O +ATOM 2455 NE2 GLN B 252 12.788 97.177 45.590 1.00 67.16 N +ATOM 2456 N TYR B 253 8.141 97.620 49.110 1.00 64.75 N +ATOM 2457 CA TYR B 253 8.086 97.501 50.566 1.00 59.57 C +ATOM 2458 C TYR B 253 6.760 97.947 51.168 1.00 58.11 C +ATOM 2459 O TYR B 253 6.618 98.019 52.388 1.00 56.11 O +ATOM 2460 CB TYR B 253 9.213 98.311 51.210 1.00 56.06 C +ATOM 2461 CG TYR B 253 10.596 97.916 50.759 1.00 52.60 C +ATOM 2462 CD1 TYR B 253 11.285 98.674 49.812 1.00 48.80 C +ATOM 2463 CD2 TYR B 253 11.222 96.785 51.281 1.00 52.19 C +ATOM 2464 CE1 TYR B 253 12.559 98.318 49.400 1.00 46.76 C +ATOM 2465 CE2 TYR B 253 12.497 96.420 50.875 1.00 48.94 C +ATOM 2466 CZ TYR B 253 13.161 97.189 49.936 1.00 49.30 C +ATOM 2467 OH TYR B 253 14.423 96.826 49.535 1.00 45.56 O +ATOM 2468 N GLY B 254 5.787 98.246 50.318 1.00 58.14 N +ATOM 2469 CA GLY B 254 4.503 98.690 50.825 1.00 62.23 C +ATOM 2470 C GLY B 254 4.548 100.164 51.178 1.00 65.20 C +ATOM 2471 O GLY B 254 5.215 100.946 50.496 1.00 64.94 O +ATOM 2472 N GLU B 255 3.852 100.547 52.245 1.00 65.59 N +ATOM 2473 CA GLU B 255 3.821 101.945 52.664 1.00 66.67 C +ATOM 2474 C GLU B 255 5.117 102.438 53.303 1.00 64.51 C +ATOM 2475 O GLU B 255 5.122 102.902 54.442 1.00 64.74 O +ATOM 2476 CB GLU B 255 2.653 102.191 53.625 1.00 70.01 C +ATOM 2477 CG GLU B 255 1.289 102.248 52.950 1.00 76.48 C +ATOM 2478 CD GLU B 255 1.206 103.341 51.897 1.00 79.45 C +ATOM 2479 OE1 GLU B 255 1.896 103.224 50.863 1.00 81.48 O +ATOM 2480 OE2 GLU B 255 0.457 104.320 52.106 1.00 79.95 O +ATOM 2481 N VAL B 256 6.214 102.326 52.566 1.00 60.20 N +ATOM 2482 CA VAL B 256 7.505 102.798 53.042 1.00 60.04 C +ATOM 2483 C VAL B 256 7.974 103.826 52.021 1.00 62.34 C +ATOM 2484 O VAL B 256 7.960 103.561 50.818 1.00 62.39 O +ATOM 2485 CB VAL B 256 8.546 101.665 53.131 1.00 56.64 C +ATOM 2486 CG1 VAL B 256 9.869 102.224 53.643 1.00 49.24 C +ATOM 2487 CG2 VAL B 256 8.042 100.563 54.047 1.00 52.11 C +ATOM 2488 N TYR B 257 8.384 104.997 52.496 1.00 62.20 N +ATOM 2489 CA TYR B 257 8.821 106.056 51.597 1.00 64.10 C +ATOM 2490 C TYR B 257 10.240 106.521 51.859 1.00 66.09 C +ATOM 2491 O TYR B 257 10.874 106.120 52.834 1.00 67.69 O +ATOM 2492 CB TYR B 257 7.881 107.258 51.709 1.00 61.84 C +ATOM 2493 CG TYR B 257 6.425 106.931 51.462 1.00 62.96 C +ATOM 2494 CD1 TYR B 257 5.710 106.117 52.342 1.00 62.76 C +ATOM 2495 CD2 TYR B 257 5.760 107.433 50.343 1.00 64.63 C +ATOM 2496 CE1 TYR B 257 4.370 105.811 52.116 1.00 62.33 C +ATOM 2497 CE2 TYR B 257 4.418 107.134 50.107 1.00 64.12 C +ATOM 2498 CZ TYR B 257 3.731 106.324 50.996 1.00 64.59 C +ATOM 2499 OH TYR B 257 2.410 106.026 50.758 1.00 64.89 O +ATOM 2500 N GLU B 258 10.735 107.367 50.966 1.00 68.82 N +ATOM 2501 CA GLU B 258 12.069 107.927 51.100 1.00 72.47 C +ATOM 2502 C GLU B 258 11.837 109.232 51.842 1.00 71.83 C +ATOM 2503 O GLU B 258 11.075 110.081 51.385 1.00 72.87 O +ATOM 2504 CB GLU B 258 12.674 108.199 49.722 1.00 75.28 C +ATOM 2505 CG GLU B 258 14.162 108.490 49.739 1.00 80.56 C +ATOM 2506 CD GLU B 258 14.750 108.566 48.343 1.00 83.66 C +ATOM 2507 OE1 GLU B 258 14.362 109.479 47.585 1.00 86.04 O +ATOM 2508 OE2 GLU B 258 15.594 107.709 48.004 1.00 85.23 O +ATOM 2509 N GLY B 259 12.475 109.388 52.993 1.00 70.86 N +ATOM 2510 CA GLY B 259 12.275 110.600 53.759 1.00 70.19 C +ATOM 2511 C GLY B 259 13.484 111.501 53.865 1.00 69.52 C +ATOM 2512 O GLY B 259 14.629 111.050 53.796 1.00 70.21 O +ATOM 2513 N VAL B 260 13.215 112.792 54.023 1.00 68.06 N +ATOM 2514 CA VAL B 260 14.262 113.790 54.169 1.00 66.55 C +ATOM 2515 C VAL B 260 14.114 114.408 55.549 1.00 65.01 C +ATOM 2516 O VAL B 260 13.159 115.138 55.807 1.00 64.72 O +ATOM 2517 CB VAL B 260 14.138 114.908 53.112 1.00 64.38 C +ATOM 2518 CG1 VAL B 260 15.059 116.060 53.466 1.00 66.78 C +ATOM 2519 CG2 VAL B 260 14.492 114.367 51.736 1.00 64.66 C +ATOM 2520 N TRP B 261 15.051 114.099 56.436 1.00 65.03 N +ATOM 2521 CA TRP B 261 15.018 114.639 57.786 1.00 67.45 C +ATOM 2522 C TRP B 261 15.669 116.021 57.768 1.00 69.87 C +ATOM 2523 O TRP B 261 16.873 116.155 57.996 1.00 68.59 O +ATOM 2524 CB TRP B 261 15.772 113.715 58.745 1.00 66.67 C +ATOM 2525 CG TRP B 261 15.539 114.031 60.192 1.00 69.46 C +ATOM 2526 CD1 TRP B 261 14.827 115.082 60.700 1.00 69.58 C +ATOM 2527 CD2 TRP B 261 16.013 113.287 61.319 1.00 70.80 C +ATOM 2528 NE1 TRP B 261 14.827 115.037 62.072 1.00 71.28 N +ATOM 2529 CE2 TRP B 261 15.548 113.946 62.480 1.00 72.44 C +ATOM 2530 CE3 TRP B 261 16.787 112.128 61.463 1.00 72.28 C +ATOM 2531 CZ2 TRP B 261 15.830 113.482 63.771 1.00 72.51 C +ATOM 2532 CZ3 TRP B 261 17.070 111.666 62.749 1.00 73.18 C +ATOM 2533 CH2 TRP B 261 16.591 112.345 63.885 1.00 73.02 C +ATOM 2534 N LYS B 262 14.854 117.035 57.488 1.00 71.77 N +ATOM 2535 CA LYS B 262 15.285 118.430 57.405 1.00 73.50 C +ATOM 2536 C LYS B 262 16.511 118.806 58.237 1.00 74.86 C +ATOM 2537 O LYS B 262 17.592 119.042 57.697 1.00 74.96 O +ATOM 2538 CB LYS B 262 14.127 119.350 57.794 1.00 73.01 C +ATOM 2539 CG LYS B 262 12.908 119.250 56.896 1.00 72.52 C +ATOM 2540 CD LYS B 262 11.797 120.154 57.403 1.00 71.53 C +ATOM 2541 CE LYS B 262 10.548 120.038 56.551 1.00 72.13 C +ATOM 2542 NZ LYS B 262 9.441 120.875 57.094 1.00 70.39 N +ATOM 2543 N LYS B 263 16.327 118.865 59.551 1.00 75.39 N +ATOM 2544 CA LYS B 263 17.392 119.241 60.475 1.00 76.84 C +ATOM 2545 C LYS B 263 18.788 118.713 60.156 1.00 74.93 C +ATOM 2546 O LYS B 263 19.777 119.397 60.404 1.00 76.29 O +ATOM 2547 CB LYS B 263 17.016 118.829 61.900 1.00 77.94 C +ATOM 2548 CG LYS B 263 15.793 119.545 62.452 1.00 80.50 C +ATOM 2549 CD LYS B 263 15.519 119.136 63.893 1.00 84.34 C +ATOM 2550 CE LYS B 263 15.281 117.635 64.009 1.00 84.81 C +ATOM 2551 NZ LYS B 263 15.065 117.209 65.418 1.00 86.07 N +ATOM 2552 N TYR B 264 18.875 117.505 59.612 1.00 73.15 N +ATOM 2553 CA TYR B 264 20.176 116.923 59.299 1.00 70.67 C +ATOM 2554 C TYR B 264 20.352 116.636 57.815 1.00 67.74 C +ATOM 2555 O TYR B 264 21.359 116.053 57.408 1.00 64.60 O +ATOM 2556 CB TYR B 264 20.377 115.623 60.086 1.00 72.77 C +ATOM 2557 CG TYR B 264 20.176 115.757 61.577 1.00 75.27 C +ATOM 2558 CD1 TYR B 264 18.908 115.991 62.113 1.00 75.71 C +ATOM 2559 CD2 TYR B 264 21.256 115.663 62.455 1.00 77.83 C +ATOM 2560 CE1 TYR B 264 18.720 116.130 63.486 1.00 76.68 C +ATOM 2561 CE2 TYR B 264 21.079 115.799 63.832 1.00 79.24 C +ATOM 2562 CZ TYR B 264 19.809 116.033 64.339 1.00 78.85 C +ATOM 2563 OH TYR B 264 19.632 116.170 65.696 1.00 78.63 O +ATOM 2564 N SER B 265 19.380 117.049 57.007 1.00 66.29 N +ATOM 2565 CA SER B 265 19.440 116.802 55.573 1.00 66.22 C +ATOM 2566 C SER B 265 19.798 115.331 55.362 1.00 64.65 C +ATOM 2567 O SER B 265 20.529 114.980 54.434 1.00 63.05 O +ATOM 2568 CB SER B 265 20.499 117.697 54.920 1.00 68.73 C +ATOM 2569 OG SER B 265 20.178 119.068 55.081 1.00 70.17 O +ATOM 2570 N LEU B 266 19.276 114.479 56.241 1.00 61.41 N +ATOM 2571 CA LEU B 266 19.538 113.048 56.181 1.00 57.93 C +ATOM 2572 C LEU B 266 18.407 112.310 55.468 1.00 57.67 C +ATOM 2573 O LEU B 266 17.225 112.548 55.740 1.00 54.50 O +ATOM 2574 CB LEU B 266 19.683 112.484 57.598 1.00 56.97 C +ATOM 2575 CG LEU B 266 20.673 111.342 57.852 1.00 59.28 C +ATOM 2576 CD1 LEU B 266 20.200 110.555 59.065 1.00 57.02 C +ATOM 2577 CD2 LEU B 266 20.776 110.424 56.643 1.00 58.58 C +ATOM 2578 N THR B 267 18.774 111.420 54.549 1.00 55.26 N +ATOM 2579 CA THR B 267 17.787 110.627 53.828 1.00 52.79 C +ATOM 2580 C THR B 267 17.434 109.441 54.717 1.00 50.47 C +ATOM 2581 O THR B 267 18.314 108.711 55.170 1.00 48.81 O +ATOM 2582 CB THR B 267 18.344 110.108 52.481 1.00 54.23 C +ATOM 2583 OG1 THR B 267 18.532 111.213 51.589 1.00 54.66 O +ATOM 2584 CG2 THR B 267 17.377 109.106 51.842 1.00 53.50 C +ATOM 2585 N VAL B 268 16.147 109.257 54.974 1.00 48.41 N +ATOM 2586 CA VAL B 268 15.701 108.161 55.822 1.00 45.25 C +ATOM 2587 C VAL B 268 14.587 107.362 55.152 1.00 47.86 C +ATOM 2588 O VAL B 268 14.134 107.702 54.056 1.00 44.86 O +ATOM 2589 CB VAL B 268 15.177 108.694 57.175 1.00 44.91 C +ATOM 2590 CG1 VAL B 268 16.252 109.534 57.865 1.00 43.88 C +ATOM 2591 CG2 VAL B 268 13.920 109.517 56.950 1.00 36.94 C +ATOM 2592 N ALA B 269 14.156 106.298 55.825 1.00 47.05 N +ATOM 2593 CA ALA B 269 13.082 105.445 55.336 1.00 47.19 C +ATOM 2594 C ALA B 269 11.943 105.556 56.342 1.00 48.39 C +ATOM 2595 O ALA B 269 12.148 105.370 57.543 1.00 49.56 O +ATOM 2596 CB ALA B 269 13.565 104.002 55.233 1.00 48.87 C +ATOM 2597 N VAL B 270 10.745 105.858 55.857 1.00 48.12 N +ATOM 2598 CA VAL B 270 9.597 106.023 56.742 1.00 49.64 C +ATOM 2599 C VAL B 270 8.441 105.069 56.446 1.00 49.99 C +ATOM 2600 O VAL B 270 7.790 105.174 55.411 1.00 49.78 O +ATOM 2601 CB VAL B 270 9.047 107.467 56.667 1.00 49.44 C +ATOM 2602 CG1 VAL B 270 8.094 107.719 57.826 1.00 49.97 C +ATOM 2603 CG2 VAL B 270 10.195 108.468 56.670 1.00 50.87 C +ATOM 2604 N LYS B 271 8.190 104.143 57.366 1.00 52.05 N +ATOM 2605 CA LYS B 271 7.094 103.191 57.221 1.00 55.06 C +ATOM 2606 C LYS B 271 5.859 103.854 57.822 1.00 57.88 C +ATOM 2607 O LYS B 271 5.951 104.530 58.848 1.00 57.00 O +ATOM 2608 CB LYS B 271 7.409 101.902 57.979 1.00 53.63 C +ATOM 2609 CG LYS B 271 6.390 100.785 57.810 1.00 55.33 C +ATOM 2610 CD LYS B 271 6.731 99.610 58.727 1.00 57.31 C +ATOM 2611 CE LYS B 271 5.854 98.387 58.471 1.00 56.69 C +ATOM 2612 NZ LYS B 271 6.286 97.620 57.269 1.00 56.31 N +ATOM 2613 N THR B 272 4.706 103.665 57.192 1.00 60.22 N +ATOM 2614 CA THR B 272 3.481 104.270 57.693 1.00 61.91 C +ATOM 2615 C THR B 272 2.277 103.361 57.494 1.00 65.00 C +ATOM 2616 O THR B 272 2.417 102.218 57.066 1.00 66.02 O +ATOM 2617 CB THR B 272 3.222 105.626 57.000 1.00 62.24 C +ATOM 2618 OG1 THR B 272 2.027 106.217 57.527 1.00 62.42 O +ATOM 2619 CG2 THR B 272 3.082 105.439 55.499 1.00 60.70 C +ATOM 2620 N LEU B 273 1.096 103.876 57.824 1.00 69.90 N +ATOM 2621 CA LEU B 273 -0.150 103.131 57.683 1.00 74.23 C +ATOM 2622 C LEU B 273 -1.199 103.974 56.968 1.00 78.99 C +ATOM 2623 O LEU B 273 -1.450 105.117 57.351 1.00 78.83 O +ATOM 2624 CB LEU B 273 -0.699 102.735 59.055 1.00 72.19 C +ATOM 2625 CG LEU B 273 0.086 101.748 59.920 1.00 73.70 C +ATOM 2626 CD1 LEU B 273 -0.610 101.601 61.267 1.00 70.32 C +ATOM 2627 CD2 LEU B 273 0.185 100.404 59.215 1.00 70.64 C +ATOM 2628 N LYS B 274 -1.810 103.411 55.929 1.00 85.50 N +ATOM 2629 CA LYS B 274 -2.855 104.118 55.194 1.00 91.76 C +ATOM 2630 C LYS B 274 -4.045 104.161 56.149 1.00 94.47 C +ATOM 2631 O LYS B 274 -3.912 103.771 57.308 1.00 95.87 O +ATOM 2632 CB LYS B 274 -3.224 103.349 53.922 1.00 92.85 C +ATOM 2633 CG LYS B 274 -4.164 104.098 52.990 1.00 96.08 C +ATOM 2634 CD LYS B 274 -4.453 103.299 51.732 1.00 97.23 C +ATOM 2635 CE LYS B 274 -5.304 104.098 50.759 1.00 98.90 C +ATOM 2636 NZ LYS B 274 -5.600 103.325 49.521 1.00100.97 N +ATOM 2637 N GLU B 275 -5.203 104.630 55.697 1.00 97.92 N +ATOM 2638 CA GLU B 275 -6.340 104.657 56.605 1.00100.28 C +ATOM 2639 C GLU B 275 -7.215 103.424 56.425 1.00101.72 C +ATOM 2640 O GLU B 275 -8.150 103.193 57.194 1.00101.97 O +ATOM 2641 CB GLU B 275 -7.164 105.932 56.438 1.00100.43 C +ATOM 2642 CG GLU B 275 -7.997 106.215 57.676 1.00100.24 C +ATOM 2643 CD GLU B 275 -7.191 106.034 58.956 1.00100.38 C +ATOM 2644 OE1 GLU B 275 -6.336 106.895 59.259 1.00 98.84 O +ATOM 2645 OE2 GLU B 275 -7.402 105.016 59.653 1.00100.82 O +ATOM 2646 N ASP B 276 -6.903 102.633 55.403 1.00103.05 N +ATOM 2647 CA ASP B 276 -7.621 101.390 55.156 1.00104.98 C +ATOM 2648 C ASP B 276 -6.941 100.405 56.099 1.00105.15 C +ATOM 2649 O ASP B 276 -7.049 99.186 55.950 1.00105.29 O +ATOM 2650 CB ASP B 276 -7.434 100.930 53.706 1.00106.53 C +ATOM 2651 CG ASP B 276 -8.137 101.831 52.710 1.00107.89 C +ATOM 2652 OD1 ASP B 276 -9.375 101.965 52.800 1.00109.35 O +ATOM 2653 OD2 ASP B 276 -7.454 102.403 51.834 1.00108.37 O +ATOM 2654 N THR B 277 -6.235 100.970 57.075 1.00104.63 N +ATOM 2655 CA THR B 277 -5.487 100.205 58.060 1.00103.55 C +ATOM 2656 C THR B 277 -6.312 99.675 59.221 1.00103.34 C +ATOM 2657 O THR B 277 -7.326 100.252 59.612 1.00102.49 O +ATOM 2658 CB THR B 277 -4.347 101.043 58.659 1.00103.05 C +ATOM 2659 OG1 THR B 277 -3.566 100.226 59.541 1.00101.90 O +ATOM 2660 CG2 THR B 277 -4.915 102.218 59.446 1.00102.80 C +ATOM 2661 N MET B 278 -5.835 98.566 59.770 1.00103.95 N +ATOM 2662 CA MET B 278 -6.448 97.891 60.902 1.00104.51 C +ATOM 2663 C MET B 278 -5.283 97.213 61.612 1.00103.42 C +ATOM 2664 O MET B 278 -5.470 96.346 62.466 1.00103.29 O +ATOM 2665 CB MET B 278 -7.447 96.833 60.425 1.00107.28 C +ATOM 2666 CG MET B 278 -7.691 96.811 58.918 1.00110.25 C +ATOM 2667 SD MET B 278 -6.211 96.432 57.943 1.00113.17 S +ATOM 2668 CE MET B 278 -6.224 94.642 57.973 1.00111.45 C +ATOM 2669 N GLU B 279 -4.076 97.626 61.234 1.00101.14 N +ATOM 2670 CA GLU B 279 -2.840 97.083 61.784 1.00 99.12 C +ATOM 2671 C GLU B 279 -2.216 97.998 62.830 1.00 96.18 C +ATOM 2672 O GLU B 279 -1.084 97.776 63.254 1.00 96.31 O +ATOM 2673 CB GLU B 279 -1.826 96.863 60.658 1.00100.60 C +ATOM 2674 CG GLU B 279 -2.276 95.905 59.573 1.00103.02 C +ATOM 2675 CD GLU B 279 -2.431 94.487 60.079 1.00105.50 C +ATOM 2676 OE1 GLU B 279 -3.335 94.242 60.906 1.00106.49 O +ATOM 2677 OE2 GLU B 279 -1.641 93.616 59.652 1.00107.15 O +ATOM 2678 N VAL B 280 -2.951 99.023 63.246 1.00 92.52 N +ATOM 2679 CA VAL B 280 -2.440 99.969 64.229 1.00 89.59 C +ATOM 2680 C VAL B 280 -1.720 99.314 65.406 1.00 87.63 C +ATOM 2681 O VAL B 280 -0.676 99.797 65.838 1.00 86.63 O +ATOM 2682 CB VAL B 280 -3.566 100.866 64.773 1.00 89.38 C +ATOM 2683 CG1 VAL B 280 -4.129 101.724 63.653 1.00 88.74 C +ATOM 2684 CG2 VAL B 280 -4.659 100.012 65.389 1.00 92.53 C +ATOM 2685 N GLU B 281 -2.266 98.214 65.916 1.00 84.68 N +ATOM 2686 CA GLU B 281 -1.652 97.524 67.047 1.00 82.76 C +ATOM 2687 C GLU B 281 -0.429 96.700 66.659 1.00 79.03 C +ATOM 2688 O GLU B 281 0.555 96.645 67.397 1.00 77.33 O +ATOM 2689 CB GLU B 281 -2.680 96.633 67.748 1.00 86.09 C +ATOM 2690 CG GLU B 281 -3.687 97.417 68.579 1.00 91.22 C +ATOM 2691 CD GLU B 281 -3.029 98.215 69.696 1.00 93.29 C +ATOM 2692 OE1 GLU B 281 -3.727 99.024 70.345 1.00 93.64 O +ATOM 2693 OE2 GLU B 281 -1.814 98.032 69.931 1.00 94.45 O +ATOM 2694 N GLU B 282 -0.496 96.054 65.502 1.00 75.09 N +ATOM 2695 CA GLU B 282 0.618 95.251 65.025 1.00 71.97 C +ATOM 2696 C GLU B 282 1.754 96.212 64.673 1.00 67.60 C +ATOM 2697 O GLU B 282 2.931 95.868 64.765 1.00 64.84 O +ATOM 2698 CB GLU B 282 0.186 94.458 63.791 1.00 76.83 C +ATOM 2699 CG GLU B 282 1.125 93.337 63.389 1.00 83.01 C +ATOM 2700 CD GLU B 282 0.578 92.526 62.225 1.00 88.27 C +ATOM 2701 OE1 GLU B 282 -0.541 91.981 62.353 1.00 89.82 O +ATOM 2702 OE2 GLU B 282 1.266 92.433 61.186 1.00 90.10 O +ATOM 2703 N PHE B 283 1.376 97.424 64.276 1.00 63.09 N +ATOM 2704 CA PHE B 283 2.322 98.473 63.909 1.00 59.37 C +ATOM 2705 C PHE B 283 2.997 98.968 65.185 1.00 57.26 C +ATOM 2706 O PHE B 283 4.224 99.035 65.268 1.00 54.76 O +ATOM 2707 CB PHE B 283 1.581 99.638 63.240 1.00 59.27 C +ATOM 2708 CG PHE B 283 2.486 100.634 62.564 1.00 59.97 C +ATOM 2709 CD1 PHE B 283 3.035 100.360 61.316 1.00 59.46 C +ATOM 2710 CD2 PHE B 283 2.785 101.849 63.173 1.00 60.33 C +ATOM 2711 CE1 PHE B 283 3.867 101.283 60.683 1.00 61.21 C +ATOM 2712 CE2 PHE B 283 3.616 102.775 62.549 1.00 58.23 C +ATOM 2713 CZ PHE B 283 4.157 102.492 61.300 1.00 59.44 C +ATOM 2714 N LEU B 284 2.178 99.301 66.179 1.00 52.71 N +ATOM 2715 CA LEU B 284 2.672 99.792 67.457 1.00 53.35 C +ATOM 2716 C LEU B 284 3.517 98.758 68.195 1.00 53.18 C +ATOM 2717 O LEU B 284 4.391 99.110 68.991 1.00 51.48 O +ATOM 2718 CB LEU B 284 1.499 100.250 68.324 1.00 52.15 C +ATOM 2719 CG LEU B 284 0.780 101.470 67.739 1.00 54.72 C +ATOM 2720 CD1 LEU B 284 -0.474 101.775 68.541 1.00 56.37 C +ATOM 2721 CD2 LEU B 284 1.728 102.662 67.736 1.00 53.48 C +ATOM 2722 N LYS B 285 3.261 97.482 67.931 1.00 51.93 N +ATOM 2723 CA LYS B 285 4.036 96.424 68.563 1.00 53.06 C +ATOM 2724 C LYS B 285 5.415 96.413 67.912 1.00 51.25 C +ATOM 2725 O LYS B 285 6.429 96.187 68.571 1.00 48.02 O +ATOM 2726 CB LYS B 285 3.359 95.066 68.366 1.00 57.20 C +ATOM 2727 CG LYS B 285 4.169 93.888 68.898 1.00 63.69 C +ATOM 2728 CD LYS B 285 4.454 94.027 70.390 1.00 69.42 C +ATOM 2729 CE LYS B 285 5.271 92.849 70.914 1.00 71.42 C +ATOM 2730 NZ LYS B 285 5.522 92.947 72.383 1.00 72.02 N +ATOM 2731 N GLU B 286 5.441 96.664 66.608 1.00 50.09 N +ATOM 2732 CA GLU B 286 6.692 96.695 65.868 1.00 47.74 C +ATOM 2733 C GLU B 286 7.551 97.848 66.389 1.00 45.82 C +ATOM 2734 O GLU B 286 8.749 97.689 66.615 1.00 44.03 O +ATOM 2735 CB GLU B 286 6.427 96.897 64.381 1.00 45.24 C +ATOM 2736 CG GLU B 286 7.589 96.475 63.514 1.00 47.98 C +ATOM 2737 CD GLU B 286 7.484 96.993 62.102 1.00 47.43 C +ATOM 2738 OE1 GLU B 286 6.349 97.191 61.615 1.00 51.18 O +ATOM 2739 OE2 GLU B 286 8.542 97.190 61.473 1.00 47.40 O +ATOM 2740 N ALA B 287 6.928 99.008 66.571 1.00 43.23 N +ATOM 2741 CA ALA B 287 7.629 100.186 67.071 1.00 45.43 C +ATOM 2742 C ALA B 287 8.267 99.875 68.415 1.00 45.06 C +ATOM 2743 O ALA B 287 9.474 100.036 68.593 1.00 44.64 O +ATOM 2744 CB ALA B 287 6.667 101.343 67.215 1.00 41.17 C +ATOM 2745 N ALA B 288 7.444 99.422 69.356 1.00 45.79 N +ATOM 2746 CA ALA B 288 7.909 99.079 70.696 1.00 44.49 C +ATOM 2747 C ALA B 288 9.071 98.091 70.671 1.00 42.85 C +ATOM 2748 O ALA B 288 10.043 98.256 71.404 1.00 43.86 O +ATOM 2749 CB ALA B 288 6.757 98.505 71.517 1.00 43.92 C +ATOM 2750 N VAL B 289 8.966 97.064 69.834 1.00 43.67 N +ATOM 2751 CA VAL B 289 10.015 96.050 69.728 1.00 44.66 C +ATOM 2752 C VAL B 289 11.327 96.640 69.214 1.00 42.18 C +ATOM 2753 O VAL B 289 12.409 96.283 69.683 1.00 41.46 O +ATOM 2754 CB VAL B 289 9.596 94.904 68.774 1.00 48.14 C +ATOM 2755 CG1 VAL B 289 10.755 93.931 68.582 1.00 49.47 C +ATOM 2756 CG2 VAL B 289 8.385 94.176 69.340 1.00 53.04 C +ATOM 2757 N MET B 290 11.229 97.538 68.242 1.00 38.63 N +ATOM 2758 CA MET B 290 12.418 98.157 67.671 1.00 40.62 C +ATOM 2759 C MET B 290 13.174 99.021 68.680 1.00 40.97 C +ATOM 2760 O MET B 290 14.370 99.269 68.521 1.00 41.99 O +ATOM 2761 CB MET B 290 12.032 98.977 66.442 1.00 37.94 C +ATOM 2762 CG MET B 290 11.593 98.114 65.263 1.00 35.51 C +ATOM 2763 SD MET B 290 11.144 99.096 63.826 1.00 40.33 S +ATOM 2764 CE MET B 290 12.791 99.594 63.254 1.00 35.00 C +ATOM 2765 N LYS B 291 12.483 99.458 69.729 1.00 41.50 N +ATOM 2766 CA LYS B 291 13.112 100.278 70.759 1.00 44.03 C +ATOM 2767 C LYS B 291 13.929 99.425 71.730 1.00 44.63 C +ATOM 2768 O LYS B 291 14.753 99.945 72.481 1.00 42.52 O +ATOM 2769 CB LYS B 291 12.046 101.054 71.532 1.00 39.81 C +ATOM 2770 CG LYS B 291 11.191 101.957 70.661 1.00 43.52 C +ATOM 2771 CD LYS B 291 10.009 102.523 71.438 1.00 42.55 C +ATOM 2772 CE LYS B 291 9.118 103.364 70.541 1.00 44.59 C +ATOM 2773 NZ LYS B 291 7.934 103.906 71.265 1.00 46.83 N +ATOM 2774 N GLU B 292 13.709 98.113 71.700 1.00 47.71 N +ATOM 2775 CA GLU B 292 14.409 97.194 72.597 1.00 48.45 C +ATOM 2776 C GLU B 292 15.693 96.641 72.000 1.00 50.15 C +ATOM 2777 O GLU B 292 16.502 96.043 72.711 1.00 50.66 O +ATOM 2778 CB GLU B 292 13.513 96.003 72.958 1.00 50.97 C +ATOM 2779 CG GLU B 292 12.121 96.353 73.442 1.00 57.08 C +ATOM 2780 CD GLU B 292 12.136 97.269 74.644 1.00 64.10 C +ATOM 2781 OE1 GLU B 292 12.947 97.032 75.566 1.00 68.18 O +ATOM 2782 OE2 GLU B 292 11.329 98.222 74.672 1.00 65.90 O +ATOM 2783 N ILE B 293 15.886 96.829 70.699 1.00 47.45 N +ATOM 2784 CA ILE B 293 17.074 96.292 70.062 1.00 48.13 C +ATOM 2785 C ILE B 293 18.024 97.326 69.471 1.00 47.34 C +ATOM 2786 O ILE B 293 17.611 98.315 68.863 1.00 44.83 O +ATOM 2787 CB ILE B 293 16.688 95.251 68.978 1.00 48.96 C +ATOM 2788 CG1 ILE B 293 15.659 95.843 68.018 1.00 47.32 C +ATOM 2789 CG2 ILE B 293 16.112 94.009 69.642 1.00 52.23 C +ATOM 2790 CD1 ILE B 293 15.171 94.864 66.966 1.00 50.69 C +ATOM 2791 N LYS B 294 19.312 97.082 69.675 1.00 45.70 N +ATOM 2792 CA LYS B 294 20.347 97.968 69.176 1.00 48.55 C +ATOM 2793 C LYS B 294 21.572 97.125 68.874 1.00 45.37 C +ATOM 2794 O LYS B 294 22.109 96.456 69.752 1.00 45.93 O +ATOM 2795 CB LYS B 294 20.693 99.034 70.219 1.00 48.34 C +ATOM 2796 CG LYS B 294 21.737 100.024 69.741 1.00 57.58 C +ATOM 2797 CD LYS B 294 22.142 100.990 70.844 1.00 62.78 C +ATOM 2798 CE LYS B 294 23.178 101.980 70.340 1.00 64.80 C +ATOM 2799 NZ LYS B 294 23.707 102.824 71.445 1.00 70.90 N +ATOM 2800 N HIS B 295 22.003 97.155 67.622 1.00 44.78 N +ATOM 2801 CA HIS B 295 23.162 96.386 67.198 1.00 41.63 C +ATOM 2802 C HIS B 295 23.667 97.022 65.915 1.00 39.81 C +ATOM 2803 O HIS B 295 22.876 97.515 65.107 1.00 37.71 O +ATOM 2804 CB HIS B 295 22.761 94.929 66.946 1.00 41.78 C +ATOM 2805 CG HIS B 295 23.920 94.002 66.736 1.00 39.91 C +ATOM 2806 ND1 HIS B 295 24.580 93.891 65.531 1.00 39.97 N +ATOM 2807 CD2 HIS B 295 24.527 93.133 67.578 1.00 38.92 C +ATOM 2808 CE1 HIS B 295 25.538 92.988 65.638 1.00 39.92 C +ATOM 2809 NE2 HIS B 295 25.528 92.513 66.869 1.00 39.29 N +ATOM 2810 N PRO B 296 24.993 97.035 65.712 1.00 38.89 N +ATOM 2811 CA PRO B 296 25.538 97.634 64.492 1.00 40.88 C +ATOM 2812 C PRO B 296 25.086 96.924 63.218 1.00 39.02 C +ATOM 2813 O PRO B 296 25.135 97.496 62.132 1.00 41.49 O +ATOM 2814 CB PRO B 296 27.051 97.555 64.707 1.00 38.73 C +ATOM 2815 CG PRO B 296 27.210 96.383 65.620 1.00 45.47 C +ATOM 2816 CD PRO B 296 26.073 96.561 66.592 1.00 43.33 C +ATOM 2817 N ASN B 297 24.631 95.684 63.351 1.00 36.42 N +ATOM 2818 CA ASN B 297 24.186 94.942 62.183 1.00 38.46 C +ATOM 2819 C ASN B 297 22.679 94.703 62.105 1.00 37.08 C +ATOM 2820 O ASN B 297 22.228 93.770 61.451 1.00 37.87 O +ATOM 2821 CB ASN B 297 24.959 93.625 62.078 1.00 35.04 C +ATOM 2822 CG ASN B 297 26.440 93.849 61.790 1.00 37.96 C +ATOM 2823 OD1 ASN B 297 27.298 93.563 62.623 1.00 41.01 O +ATOM 2824 ND2 ASN B 297 26.739 94.379 60.608 1.00 34.80 N +ATOM 2825 N LEU B 298 21.915 95.563 62.778 1.00 37.90 N +ATOM 2826 CA LEU B 298 20.448 95.528 62.765 1.00 35.52 C +ATOM 2827 C LEU B 298 20.005 96.925 62.335 1.00 37.04 C +ATOM 2828 O LEU B 298 20.478 97.921 62.885 1.00 40.44 O +ATOM 2829 CB LEU B 298 19.885 95.220 64.160 1.00 38.34 C +ATOM 2830 CG LEU B 298 19.834 93.756 64.618 1.00 40.46 C +ATOM 2831 CD1 LEU B 298 19.328 93.686 66.048 1.00 46.77 C +ATOM 2832 CD2 LEU B 298 18.912 92.957 63.699 1.00 43.88 C +ATOM 2833 N VAL B 299 19.112 97.013 61.353 1.00 40.02 N +ATOM 2834 CA VAL B 299 18.660 98.322 60.881 1.00 40.09 C +ATOM 2835 C VAL B 299 18.421 99.236 62.088 1.00 41.93 C +ATOM 2836 O VAL B 299 17.810 98.828 63.074 1.00 39.37 O +ATOM 2837 CB VAL B 299 17.378 98.202 60.013 1.00 43.03 C +ATOM 2838 CG1 VAL B 299 16.186 97.773 60.866 1.00 33.94 C +ATOM 2839 CG2 VAL B 299 17.115 99.518 59.293 1.00 40.22 C +ATOM 2840 N GLN B 300 18.929 100.463 62.006 1.00 41.69 N +ATOM 2841 CA GLN B 300 18.822 101.422 63.101 1.00 42.82 C +ATOM 2842 C GLN B 300 17.542 102.256 63.160 1.00 39.69 C +ATOM 2843 O GLN B 300 17.201 102.974 62.220 1.00 39.77 O +ATOM 2844 CB GLN B 300 20.039 102.358 63.073 1.00 48.28 C +ATOM 2845 CG GLN B 300 20.006 103.482 64.105 1.00 54.40 C +ATOM 2846 CD GLN B 300 21.277 104.319 64.106 1.00 58.81 C +ATOM 2847 OE1 GLN B 300 21.773 104.724 63.051 1.00 60.74 O +ATOM 2848 NE2 GLN B 300 21.805 104.591 65.295 1.00 60.51 N +ATOM 2849 N LEU B 301 16.834 102.153 64.277 1.00 39.92 N +ATOM 2850 CA LEU B 301 15.614 102.925 64.477 1.00 38.27 C +ATOM 2851 C LEU B 301 16.035 104.359 64.781 1.00 39.61 C +ATOM 2852 O LEU B 301 16.908 104.585 65.617 1.00 37.55 O +ATOM 2853 CB LEU B 301 14.817 102.362 65.657 1.00 42.60 C +ATOM 2854 CG LEU B 301 13.647 103.204 66.176 1.00 44.54 C +ATOM 2855 CD1 LEU B 301 12.585 103.330 65.091 1.00 47.25 C +ATOM 2856 CD2 LEU B 301 13.061 102.559 67.430 1.00 42.06 C +ATOM 2857 N LEU B 302 15.422 105.326 64.105 1.00 41.87 N +ATOM 2858 CA LEU B 302 15.766 106.723 64.329 1.00 42.94 C +ATOM 2859 C LEU B 302 14.674 107.459 65.090 1.00 46.38 C +ATOM 2860 O LEU B 302 14.932 108.479 65.731 1.00 47.22 O +ATOM 2861 CB LEU B 302 16.042 107.423 62.996 1.00 40.70 C +ATOM 2862 CG LEU B 302 17.296 106.916 62.279 1.00 40.15 C +ATOM 2863 CD1 LEU B 302 17.503 107.670 60.972 1.00 37.70 C +ATOM 2864 CD2 LEU B 302 18.494 107.100 63.194 1.00 39.61 C +ATOM 2865 N GLY B 303 13.455 106.938 65.024 1.00 46.94 N +ATOM 2866 CA GLY B 303 12.353 107.569 65.723 1.00 45.87 C +ATOM 2867 C GLY B 303 10.998 107.072 65.257 1.00 49.88 C +ATOM 2868 O GLY B 303 10.902 106.227 64.361 1.00 48.56 O +ATOM 2869 N VAL B 304 9.945 107.594 65.877 1.00 47.71 N +ATOM 2870 CA VAL B 304 8.586 107.219 65.523 1.00 48.60 C +ATOM 2871 C VAL B 304 7.653 108.412 65.673 1.00 51.43 C +ATOM 2872 O VAL B 304 8.003 109.426 66.275 1.00 50.21 O +ATOM 2873 CB VAL B 304 8.039 106.089 66.432 1.00 47.34 C +ATOM 2874 CG1 VAL B 304 9.014 104.913 66.472 1.00 42.52 C +ATOM 2875 CG2 VAL B 304 7.776 106.632 67.831 1.00 45.85 C +ATOM 2876 N CYS B 305 6.463 108.270 65.105 1.00 53.91 N +ATOM 2877 CA CYS B 305 5.416 109.275 65.178 1.00 55.79 C +ATOM 2878 C CYS B 305 4.159 108.444 65.383 1.00 59.32 C +ATOM 2879 O CYS B 305 3.495 108.060 64.423 1.00 60.75 O +ATOM 2880 CB CYS B 305 5.321 110.062 63.874 1.00 54.76 C +ATOM 2881 SG CYS B 305 6.755 111.082 63.524 1.00 54.65 S +ATOM 2882 N THR B 306 3.854 108.150 66.642 1.00 63.16 N +ATOM 2883 CA THR B 306 2.700 107.330 66.969 1.00 66.97 C +ATOM 2884 C THR B 306 1.766 107.932 68.012 1.00 69.42 C +ATOM 2885 O THR B 306 1.186 107.214 68.827 1.00 70.15 O +ATOM 2886 CB THR B 306 3.151 105.930 67.435 1.00 66.09 C +ATOM 2887 OG1 THR B 306 4.182 106.060 68.420 1.00 65.74 O +ATOM 2888 CG2 THR B 306 3.688 105.130 66.259 1.00 65.86 C +ATOM 2889 N ARG B 307 1.627 109.252 67.988 1.00 72.21 N +ATOM 2890 CA ARG B 307 0.729 109.934 68.912 1.00 75.89 C +ATOM 2891 C ARG B 307 -0.561 110.230 68.158 1.00 77.84 C +ATOM 2892 O ARG B 307 -1.656 110.158 68.713 1.00 78.89 O +ATOM 2893 CB ARG B 307 1.337 111.249 69.396 1.00 76.46 C +ATOM 2894 CG ARG B 307 2.589 111.102 70.230 1.00 77.44 C +ATOM 2895 CD ARG B 307 2.928 112.426 70.891 1.00 79.57 C +ATOM 2896 NE ARG B 307 1.880 112.857 71.813 1.00 81.27 N +ATOM 2897 CZ ARG B 307 1.521 112.190 72.906 1.00 82.29 C +ATOM 2898 NH1 ARG B 307 2.125 111.051 73.225 1.00 82.63 N +ATOM 2899 NH2 ARG B 307 0.555 112.661 73.681 1.00 82.10 N +ATOM 2900 N GLU B 308 -0.407 110.559 66.880 1.00 78.98 N +ATOM 2901 CA GLU B 308 -1.527 110.877 66.006 1.00 79.65 C +ATOM 2902 C GLU B 308 -1.210 110.376 64.598 1.00 79.06 C +ATOM 2903 O GLU B 308 -0.045 110.289 64.212 1.00 80.11 O +ATOM 2904 CB GLU B 308 -1.754 112.390 65.996 1.00 81.27 C +ATOM 2905 CG GLU B 308 -2.140 112.950 67.358 1.00 85.08 C +ATOM 2906 CD GLU B 308 -1.881 114.440 67.486 1.00 87.37 C +ATOM 2907 OE1 GLU B 308 -0.704 114.849 67.396 1.00 88.19 O +ATOM 2908 OE2 GLU B 308 -2.850 115.202 67.680 1.00 89.48 O +ATOM 2909 N PRO B 309 -2.245 110.023 63.818 1.00 77.47 N +ATOM 2910 CA PRO B 309 -2.054 109.528 62.449 1.00 75.71 C +ATOM 2911 C PRO B 309 -1.594 110.623 61.486 1.00 74.68 C +ATOM 2912 O PRO B 309 -1.889 111.802 61.688 1.00 74.41 O +ATOM 2913 CB PRO B 309 -3.437 108.992 62.081 1.00 77.33 C +ATOM 2914 CG PRO B 309 -4.048 108.650 63.417 1.00 77.12 C +ATOM 2915 CD PRO B 309 -3.637 109.826 64.250 1.00 76.27 C +ATOM 2916 N PRO B 310 -0.864 110.247 60.422 1.00 72.24 N +ATOM 2917 CA PRO B 310 -0.454 108.879 60.077 1.00 70.36 C +ATOM 2918 C PRO B 310 0.753 108.420 60.894 1.00 68.15 C +ATOM 2919 O PRO B 310 1.733 109.155 61.035 1.00 66.86 O +ATOM 2920 CB PRO B 310 -0.113 108.978 58.588 1.00 70.72 C +ATOM 2921 CG PRO B 310 -0.868 110.200 58.123 1.00 73.50 C +ATOM 2922 CD PRO B 310 -0.667 111.143 59.272 1.00 72.48 C +ATOM 2923 N PHE B 311 0.677 107.203 61.423 1.00 63.96 N +ATOM 2924 CA PHE B 311 1.763 106.641 62.219 1.00 60.36 C +ATOM 2925 C PHE B 311 3.029 106.475 61.387 1.00 57.99 C +ATOM 2926 O PHE B 311 2.973 106.026 60.242 1.00 57.75 O +ATOM 2927 CB PHE B 311 1.348 105.284 62.795 1.00 63.83 C +ATOM 2928 CG PHE B 311 0.314 105.372 63.886 1.00 66.15 C +ATOM 2929 CD1 PHE B 311 -0.312 104.223 64.357 1.00 69.44 C +ATOM 2930 CD2 PHE B 311 -0.022 106.596 64.457 1.00 68.86 C +ATOM 2931 CE1 PHE B 311 -1.258 104.291 65.380 1.00 70.64 C +ATOM 2932 CE2 PHE B 311 -0.964 106.673 65.478 1.00 68.35 C +ATOM 2933 CZ PHE B 311 -1.582 105.518 65.939 1.00 68.72 C +ATOM 2934 N TYR B 312 4.167 106.845 61.972 1.00 53.44 N +ATOM 2935 CA TYR B 312 5.462 106.737 61.305 1.00 49.80 C +ATOM 2936 C TYR B 312 6.465 105.915 62.110 1.00 48.42 C +ATOM 2937 O TYR B 312 6.414 105.879 63.339 1.00 47.96 O +ATOM 2938 CB TYR B 312 6.100 108.117 61.106 1.00 53.86 C +ATOM 2939 CG TYR B 312 5.578 108.981 59.978 1.00 56.83 C +ATOM 2940 CD1 TYR B 312 6.218 110.183 59.667 1.00 59.45 C +ATOM 2941 CD2 TYR B 312 4.459 108.619 59.231 1.00 57.92 C +ATOM 2942 CE1 TYR B 312 5.762 111.005 58.645 1.00 62.27 C +ATOM 2943 CE2 TYR B 312 3.986 109.439 58.199 1.00 59.17 C +ATOM 2944 CZ TYR B 312 4.645 110.631 57.913 1.00 64.08 C +ATOM 2945 OH TYR B 312 4.195 111.457 56.904 1.00 63.59 O +ATOM 2946 N ILE B 313 7.377 105.261 61.396 1.00 45.91 N +ATOM 2947 CA ILE B 313 8.470 104.505 61.998 1.00 44.77 C +ATOM 2948 C ILE B 313 9.653 104.811 61.083 1.00 46.30 C +ATOM 2949 O ILE B 313 9.748 104.297 59.966 1.00 45.95 O +ATOM 2950 CB ILE B 313 8.217 102.993 62.042 1.00 43.93 C +ATOM 2951 CG1 ILE B 313 7.037 102.687 62.971 1.00 46.60 C +ATOM 2952 CG2 ILE B 313 9.466 102.286 62.566 1.00 44.15 C +ATOM 2953 CD1 ILE B 313 6.732 101.206 63.129 1.00 44.84 C +ATOM 2954 N ILE B 314 10.532 105.684 61.560 1.00 44.10 N +ATOM 2955 CA ILE B 314 11.687 106.121 60.796 1.00 42.86 C +ATOM 2956 C ILE B 314 12.951 105.361 61.152 1.00 44.59 C +ATOM 2957 O ILE B 314 13.235 105.101 62.325 1.00 43.77 O +ATOM 2958 CB ILE B 314 11.960 107.633 61.014 1.00 43.26 C +ATOM 2959 CG1 ILE B 314 10.709 108.453 60.692 1.00 45.30 C +ATOM 2960 CG2 ILE B 314 13.100 108.094 60.129 1.00 41.20 C +ATOM 2961 CD1 ILE B 314 9.668 108.458 61.800 1.00 49.42 C +ATOM 2962 N THR B 315 13.708 105.008 60.121 1.00 44.97 N +ATOM 2963 CA THR B 315 14.963 104.298 60.297 1.00 43.79 C +ATOM 2964 C THR B 315 15.930 104.879 59.285 1.00 44.37 C +ATOM 2965 O THR B 315 15.540 105.689 58.446 1.00 42.63 O +ATOM 2966 CB THR B 315 14.809 102.788 60.025 1.00 43.24 C +ATOM 2967 OG1 THR B 315 14.610 102.572 58.626 1.00 40.87 O +ATOM 2968 CG2 THR B 315 13.614 102.230 60.788 1.00 42.13 C +ATOM 2969 N GLU B 316 17.190 104.476 59.374 1.00 47.15 N +ATOM 2970 CA GLU B 316 18.205 104.947 58.444 1.00 50.49 C +ATOM 2971 C GLU B 316 17.896 104.412 57.052 1.00 52.53 C +ATOM 2972 O GLU B 316 17.120 103.469 56.903 1.00 52.41 O +ATOM 2973 CB GLU B 316 19.578 104.447 58.878 1.00 50.38 C +ATOM 2974 CG GLU B 316 19.608 102.956 59.131 1.00 52.76 C +ATOM 2975 CD GLU B 316 21.001 102.446 59.414 1.00 55.33 C +ATOM 2976 OE1 GLU B 316 21.128 101.289 59.865 1.00 54.24 O +ATOM 2977 OE2 GLU B 316 21.969 103.201 59.180 1.00 59.39 O +ATOM 2978 N PHE B 317 18.503 105.024 56.039 1.00 53.38 N +ATOM 2979 CA PHE B 317 18.321 104.606 54.652 1.00 54.44 C +ATOM 2980 C PHE B 317 19.639 103.984 54.202 1.00 55.98 C +ATOM 2981 O PHE B 317 20.661 104.665 54.159 1.00 57.86 O +ATOM 2982 CB PHE B 317 18.004 105.815 53.770 1.00 56.09 C +ATOM 2983 CG PHE B 317 17.780 105.473 52.320 1.00 55.20 C +ATOM 2984 CD1 PHE B 317 16.494 105.297 51.824 1.00 58.03 C +ATOM 2985 CD2 PHE B 317 18.856 105.336 51.450 1.00 57.28 C +ATOM 2986 CE1 PHE B 317 16.279 104.991 50.479 1.00 60.12 C +ATOM 2987 CE2 PHE B 317 18.654 105.030 50.104 1.00 59.44 C +ATOM 2988 CZ PHE B 317 17.363 104.858 49.617 1.00 57.35 C +ATOM 2989 N MET B 318 19.620 102.695 53.880 1.00 55.18 N +ATOM 2990 CA MET B 318 20.831 102.004 53.447 1.00 55.11 C +ATOM 2991 C MET B 318 21.102 102.259 51.965 1.00 54.30 C +ATOM 2992 O MET B 318 20.317 101.876 51.098 1.00 53.04 O +ATOM 2993 CB MET B 318 20.702 100.503 53.713 1.00 58.18 C +ATOM 2994 CG MET B 318 20.524 100.140 55.185 1.00 60.90 C +ATOM 2995 SD MET B 318 21.896 100.667 56.221 1.00 63.63 S +ATOM 2996 CE MET B 318 23.154 99.492 55.734 1.00 63.35 C +ATOM 2997 N THR B 319 22.231 102.901 51.689 1.00 53.53 N +ATOM 2998 CA THR B 319 22.636 103.262 50.332 1.00 52.80 C +ATOM 2999 C THR B 319 22.333 102.283 49.191 1.00 50.74 C +ATOM 3000 O THR B 319 21.649 102.643 48.233 1.00 47.84 O +ATOM 3001 CB THR B 319 24.149 103.582 50.283 1.00 56.49 C +ATOM 3002 OG1 THR B 319 24.452 104.623 51.220 1.00 55.62 O +ATOM 3003 CG2 THR B 319 24.554 104.036 48.881 1.00 56.51 C +ATOM 3004 N TYR B 320 22.823 101.050 49.294 1.00 48.18 N +ATOM 3005 CA TYR B 320 22.644 100.081 48.215 1.00 48.42 C +ATOM 3006 C TYR B 320 21.425 99.155 48.175 1.00 47.26 C +ATOM 3007 O TYR B 320 21.452 98.144 47.478 1.00 46.18 O +ATOM 3008 CB TYR B 320 23.918 99.240 48.079 1.00 52.04 C +ATOM 3009 CG TYR B 320 25.153 100.071 47.792 1.00 57.47 C +ATOM 3010 CD1 TYR B 320 25.736 100.848 48.789 1.00 60.26 C +ATOM 3011 CD2 TYR B 320 25.721 100.102 46.517 1.00 61.19 C +ATOM 3012 CE1 TYR B 320 26.855 101.640 48.528 1.00 64.21 C +ATOM 3013 CE2 TYR B 320 26.844 100.891 46.245 1.00 63.56 C +ATOM 3014 CZ TYR B 320 27.402 101.656 47.259 1.00 63.08 C +ATOM 3015 OH TYR B 320 28.506 102.436 47.015 1.00 65.46 O +ATOM 3016 N GLY B 321 20.362 99.490 48.901 1.00 44.85 N +ATOM 3017 CA GLY B 321 19.162 98.663 48.871 1.00 44.07 C +ATOM 3018 C GLY B 321 19.242 97.295 49.527 1.00 40.43 C +ATOM 3019 O GLY B 321 20.138 97.034 50.323 1.00 40.92 O +ATOM 3020 N ASN B 322 18.303 96.413 49.193 1.00 41.21 N +ATOM 3021 CA ASN B 322 18.284 95.080 49.789 1.00 40.96 C +ATOM 3022 C ASN B 322 19.392 94.170 49.257 1.00 39.30 C +ATOM 3023 O ASN B 322 19.801 94.266 48.095 1.00 36.04 O +ATOM 3024 CB ASN B 322 16.907 94.426 49.597 1.00 44.57 C +ATOM 3025 CG ASN B 322 16.743 93.780 48.236 1.00 48.29 C +ATOM 3026 OD1 ASN B 322 17.335 92.732 47.953 1.00 42.76 O +ATOM 3027 ND2 ASN B 322 15.932 94.399 47.384 1.00 47.94 N +ATOM 3028 N LEU B 323 19.857 93.280 50.128 1.00 36.11 N +ATOM 3029 CA LEU B 323 20.935 92.348 49.826 1.00 40.45 C +ATOM 3030 C LEU B 323 20.690 91.415 48.641 1.00 43.61 C +ATOM 3031 O LEU B 323 21.619 91.108 47.895 1.00 43.91 O +ATOM 3032 CB LEU B 323 21.249 91.513 51.069 1.00 39.01 C +ATOM 3033 CG LEU B 323 22.407 90.523 50.966 1.00 40.68 C +ATOM 3034 CD1 LEU B 323 23.714 91.274 50.715 1.00 41.15 C +ATOM 3035 CD2 LEU B 323 22.484 89.709 52.250 1.00 38.09 C +ATOM 3036 N LEU B 324 19.455 90.958 48.466 1.00 43.66 N +ATOM 3037 CA LEU B 324 19.156 90.055 47.361 1.00 43.80 C +ATOM 3038 C LEU B 324 19.513 90.715 46.035 1.00 45.76 C +ATOM 3039 O LEU B 324 20.338 90.195 45.282 1.00 44.41 O +ATOM 3040 CB LEU B 324 17.676 89.648 47.362 1.00 40.04 C +ATOM 3041 CG LEU B 324 17.278 88.702 46.217 1.00 43.07 C +ATOM 3042 CD1 LEU B 324 18.294 87.583 46.100 1.00 40.87 C +ATOM 3043 CD2 LEU B 324 15.895 88.131 46.465 1.00 38.63 C +ATOM 3044 N ASP B 325 18.894 91.858 45.754 1.00 44.48 N +ATOM 3045 CA ASP B 325 19.165 92.586 44.520 1.00 45.85 C +ATOM 3046 C ASP B 325 20.630 93.008 44.407 1.00 46.19 C +ATOM 3047 O ASP B 325 21.212 92.989 43.321 1.00 45.31 O +ATOM 3048 CB ASP B 325 18.274 93.824 44.422 1.00 46.82 C +ATOM 3049 CG ASP B 325 16.830 93.478 44.147 1.00 53.16 C +ATOM 3050 OD1 ASP B 325 16.588 92.561 43.331 1.00 51.05 O +ATOM 3051 OD2 ASP B 325 15.937 94.129 44.731 1.00 56.50 O +ATOM 3052 N TYR B 326 21.224 93.391 45.529 1.00 43.57 N +ATOM 3053 CA TYR B 326 22.617 93.808 45.536 1.00 46.83 C +ATOM 3054 C TYR B 326 23.506 92.697 44.984 1.00 45.51 C +ATOM 3055 O TYR B 326 24.261 92.909 44.039 1.00 48.14 O +ATOM 3056 CB TYR B 326 23.056 94.156 46.959 1.00 47.74 C +ATOM 3057 CG TYR B 326 24.497 94.587 47.058 1.00 51.11 C +ATOM 3058 CD1 TYR B 326 24.923 95.795 46.507 1.00 52.80 C +ATOM 3059 CD2 TYR B 326 25.444 93.776 47.681 1.00 48.59 C +ATOM 3060 CE1 TYR B 326 26.259 96.184 46.574 1.00 51.77 C +ATOM 3061 CE2 TYR B 326 26.780 94.155 47.753 1.00 50.33 C +ATOM 3062 CZ TYR B 326 27.180 95.359 47.198 1.00 52.60 C +ATOM 3063 OH TYR B 326 28.498 95.739 47.274 1.00 57.84 O +ATOM 3064 N LEU B 327 23.415 91.515 45.583 1.00 43.22 N +ATOM 3065 CA LEU B 327 24.211 90.371 45.154 1.00 44.02 C +ATOM 3066 C LEU B 327 24.020 90.046 43.672 1.00 44.99 C +ATOM 3067 O LEU B 327 24.978 89.728 42.970 1.00 46.22 O +ATOM 3068 CB LEU B 327 23.848 89.143 45.991 1.00 44.34 C +ATOM 3069 CG LEU B 327 24.360 89.093 47.430 1.00 45.55 C +ATOM 3070 CD1 LEU B 327 23.612 88.015 48.197 1.00 48.00 C +ATOM 3071 CD2 LEU B 327 25.853 88.815 47.435 1.00 47.93 C +ATOM 3072 N ARG B 328 22.781 90.127 43.201 1.00 45.42 N +ATOM 3073 CA ARG B 328 22.477 89.825 41.809 1.00 47.89 C +ATOM 3074 C ARG B 328 23.045 90.835 40.816 1.00 49.17 C +ATOM 3075 O ARG B 328 23.442 90.463 39.712 1.00 51.35 O +ATOM 3076 CB ARG B 328 20.960 89.727 41.612 1.00 45.50 C +ATOM 3077 CG ARG B 328 20.316 88.529 42.302 1.00 44.91 C +ATOM 3078 CD ARG B 328 18.805 88.513 42.095 1.00 45.92 C +ATOM 3079 NE ARG B 328 18.200 87.296 42.631 1.00 49.21 N +ATOM 3080 CZ ARG B 328 16.891 87.093 42.736 1.00 49.44 C +ATOM 3081 NH1 ARG B 328 16.040 88.031 42.342 1.00 52.11 N +ATOM 3082 NH2 ARG B 328 16.433 85.953 43.239 1.00 47.26 N +ATOM 3083 N GLU B 329 23.099 92.103 41.214 1.00 48.97 N +ATOM 3084 CA GLU B 329 23.579 93.168 40.332 1.00 49.49 C +ATOM 3085 C GLU B 329 24.990 93.687 40.605 1.00 47.42 C +ATOM 3086 O GLU B 329 25.404 94.684 40.017 1.00 46.12 O +ATOM 3087 CB GLU B 329 22.618 94.353 40.402 1.00 52.14 C +ATOM 3088 CG GLU B 329 21.156 93.985 40.282 1.00 61.85 C +ATOM 3089 CD GLU B 329 20.254 95.197 40.409 1.00 66.93 C +ATOM 3090 OE1 GLU B 329 20.322 96.080 39.527 1.00 73.06 O +ATOM 3091 OE2 GLU B 329 19.483 95.273 41.390 1.00 68.68 O +ATOM 3092 N CYS B 330 25.737 93.012 41.467 1.00 44.78 N +ATOM 3093 CA CYS B 330 27.073 93.475 41.817 1.00 47.71 C +ATOM 3094 C CYS B 330 28.235 93.050 40.920 1.00 49.26 C +ATOM 3095 O CYS B 330 28.135 92.116 40.122 1.00 50.26 O +ATOM 3096 CB CYS B 330 27.402 93.034 43.236 1.00 46.81 C +ATOM 3097 SG CYS B 330 27.776 91.274 43.333 1.00 50.74 S +ATOM 3098 N ASN B 331 29.344 93.763 41.079 1.00 48.79 N +ATOM 3099 CA ASN B 331 30.583 93.473 40.371 1.00 51.27 C +ATOM 3100 C ASN B 331 31.213 92.365 41.219 1.00 52.77 C +ATOM 3101 O ASN B 331 31.718 92.626 42.313 1.00 52.53 O +ATOM 3102 CB ASN B 331 31.491 94.705 40.380 1.00 49.05 C +ATOM 3103 CG ASN B 331 32.894 94.409 39.867 1.00 51.83 C +ATOM 3104 OD1 ASN B 331 33.350 93.261 39.875 1.00 47.55 O +ATOM 3105 ND2 ASN B 331 33.593 95.452 39.436 1.00 46.57 N +ATOM 3106 N ARG B 332 31.185 91.133 40.726 1.00 51.62 N +ATOM 3107 CA ARG B 332 31.733 90.027 41.494 1.00 49.92 C +ATOM 3108 C ARG B 332 33.227 90.117 41.762 1.00 53.80 C +ATOM 3109 O ARG B 332 33.756 89.367 42.583 1.00 52.49 O +ATOM 3110 CB ARG B 332 31.387 88.702 40.827 1.00 45.57 C +ATOM 3111 CG ARG B 332 29.894 88.495 40.690 1.00 42.61 C +ATOM 3112 CD ARG B 332 29.570 87.048 40.409 1.00 38.94 C +ATOM 3113 NE ARG B 332 28.152 86.837 40.146 1.00 39.75 N +ATOM 3114 CZ ARG B 332 27.606 85.636 39.961 1.00 40.38 C +ATOM 3115 NH1 ARG B 332 28.364 84.550 40.018 1.00 36.74 N +ATOM 3116 NH2 ARG B 332 26.310 85.518 39.711 1.00 37.28 N +ATOM 3117 N GLN B 333 33.913 91.027 41.078 1.00 55.68 N +ATOM 3118 CA GLN B 333 35.337 91.200 41.318 1.00 54.78 C +ATOM 3119 C GLN B 333 35.462 92.041 42.584 1.00 54.70 C +ATOM 3120 O GLN B 333 36.415 91.899 43.351 1.00 55.32 O +ATOM 3121 CB GLN B 333 36.010 91.912 40.140 1.00 56.79 C +ATOM 3122 CG GLN B 333 36.085 91.076 38.872 1.00 57.13 C +ATOM 3123 CD GLN B 333 36.856 89.782 39.073 1.00 56.63 C +ATOM 3124 OE1 GLN B 333 38.039 89.798 39.407 1.00 59.14 O +ATOM 3125 NE2 GLN B 333 36.184 88.654 38.872 1.00 55.08 N +ATOM 3126 N GLU B 334 34.485 92.919 42.790 1.00 55.37 N +ATOM 3127 CA GLU B 334 34.446 93.786 43.964 1.00 57.55 C +ATOM 3128 C GLU B 334 33.935 92.967 45.148 1.00 57.43 C +ATOM 3129 O GLU B 334 34.604 92.847 46.181 1.00 55.18 O +ATOM 3130 CB GLU B 334 33.498 94.960 43.714 1.00 62.58 C +ATOM 3131 CG GLU B 334 33.369 95.919 44.885 1.00 69.67 C +ATOM 3132 CD GLU B 334 32.207 96.879 44.721 1.00 74.32 C +ATOM 3133 OE1 GLU B 334 32.142 97.559 43.674 1.00 79.00 O +ATOM 3134 OE2 GLU B 334 31.359 96.954 45.639 1.00 74.17 O +ATOM 3135 N VAL B 335 32.738 92.407 44.982 1.00 54.23 N +ATOM 3136 CA VAL B 335 32.112 91.581 46.008 1.00 49.67 C +ATOM 3137 C VAL B 335 32.639 90.162 45.846 1.00 47.95 C +ATOM 3138 O VAL B 335 31.941 89.282 45.350 1.00 51.25 O +ATOM 3139 CB VAL B 335 30.576 91.568 45.851 1.00 46.70 C +ATOM 3140 CG1 VAL B 335 29.941 90.797 46.995 1.00 45.17 C +ATOM 3141 CG2 VAL B 335 30.048 92.987 45.805 1.00 44.62 C +ATOM 3142 N SER B 336 33.882 89.954 46.264 1.00 50.19 N +ATOM 3143 CA SER B 336 34.529 88.654 46.162 1.00 50.78 C +ATOM 3144 C SER B 336 34.196 87.718 47.320 1.00 51.46 C +ATOM 3145 O SER B 336 33.421 88.061 48.212 1.00 53.78 O +ATOM 3146 CB SER B 336 36.046 88.838 46.062 1.00 51.89 C +ATOM 3147 OG SER B 336 36.520 89.730 47.055 1.00 52.11 O +ATOM 3148 N ALA B 337 34.797 86.533 47.294 1.00 49.94 N +ATOM 3149 CA ALA B 337 34.570 85.519 48.315 1.00 50.03 C +ATOM 3150 C ALA B 337 34.806 86.025 49.734 1.00 49.83 C +ATOM 3151 O ALA B 337 34.033 85.711 50.637 1.00 50.04 O +ATOM 3152 CB ALA B 337 35.454 84.296 48.040 1.00 46.75 C +ATOM 3153 N VAL B 338 35.870 86.801 49.933 1.00 50.24 N +ATOM 3154 CA VAL B 338 36.176 87.330 51.258 1.00 49.68 C +ATOM 3155 C VAL B 338 35.099 88.309 51.718 1.00 48.88 C +ATOM 3156 O VAL B 338 34.864 88.471 52.912 1.00 50.22 O +ATOM 3157 CB VAL B 338 37.545 88.046 51.285 1.00 52.98 C +ATOM 3158 CG1 VAL B 338 37.495 89.317 50.445 1.00 54.75 C +ATOM 3159 CG2 VAL B 338 37.928 88.366 52.722 1.00 52.71 C +ATOM 3160 N VAL B 339 34.445 88.964 50.767 1.00 47.51 N +ATOM 3161 CA VAL B 339 33.393 89.911 51.099 1.00 45.37 C +ATOM 3162 C VAL B 339 32.117 89.148 51.436 1.00 47.62 C +ATOM 3163 O VAL B 339 31.339 89.571 52.292 1.00 43.96 O +ATOM 3164 CB VAL B 339 33.115 90.865 49.931 1.00 45.16 C +ATOM 3165 CG1 VAL B 339 32.023 91.851 50.312 1.00 45.11 C +ATOM 3166 CG2 VAL B 339 34.392 91.600 49.556 1.00 47.25 C +ATOM 3167 N LEU B 340 31.896 88.026 50.756 1.00 46.11 N +ATOM 3168 CA LEU B 340 30.711 87.213 51.024 1.00 45.91 C +ATOM 3169 C LEU B 340 30.838 86.664 52.445 1.00 45.38 C +ATOM 3170 O LEU B 340 29.868 86.608 53.200 1.00 41.81 O +ATOM 3171 CB LEU B 340 30.621 86.056 50.029 1.00 45.14 C +ATOM 3172 CG LEU B 340 30.543 86.401 48.542 1.00 43.88 C +ATOM 3173 CD1 LEU B 340 30.475 85.100 47.752 1.00 45.19 C +ATOM 3174 CD2 LEU B 340 29.323 87.287 48.250 1.00 37.44 C +ATOM 3175 N LEU B 341 32.054 86.264 52.801 1.00 45.97 N +ATOM 3176 CA LEU B 341 32.326 85.737 54.131 1.00 49.34 C +ATOM 3177 C LEU B 341 32.064 86.840 55.159 1.00 48.11 C +ATOM 3178 O LEU B 341 31.441 86.608 56.192 1.00 48.89 O +ATOM 3179 CB LEU B 341 33.783 85.276 54.218 1.00 52.29 C +ATOM 3180 CG LEU B 341 34.211 84.500 55.466 1.00 56.79 C +ATOM 3181 CD1 LEU B 341 33.396 83.213 55.591 1.00 57.66 C +ATOM 3182 CD2 LEU B 341 35.694 84.184 55.369 1.00 56.52 C +ATOM 3183 N TYR B 342 32.541 88.041 54.859 1.00 45.46 N +ATOM 3184 CA TYR B 342 32.364 89.190 55.741 1.00 46.48 C +ATOM 3185 C TYR B 342 30.890 89.517 55.933 1.00 45.88 C +ATOM 3186 O TYR B 342 30.470 89.856 57.038 1.00 46.08 O +ATOM 3187 CB TYR B 342 33.096 90.408 55.167 1.00 47.30 C +ATOM 3188 CG TYR B 342 32.873 91.703 55.922 1.00 55.58 C +ATOM 3189 CD1 TYR B 342 33.197 91.816 57.275 1.00 55.84 C +ATOM 3190 CD2 TYR B 342 32.359 92.827 55.274 1.00 56.33 C +ATOM 3191 CE1 TYR B 342 33.016 93.019 57.963 1.00 58.12 C +ATOM 3192 CE2 TYR B 342 32.175 94.032 55.950 1.00 56.29 C +ATOM 3193 CZ TYR B 342 32.505 94.122 57.292 1.00 58.32 C +ATOM 3194 OH TYR B 342 32.324 95.315 57.958 1.00 58.50 O +ATOM 3195 N MET B 343 30.106 89.408 54.861 1.00 45.59 N +ATOM 3196 CA MET B 343 28.679 89.703 54.933 1.00 47.21 C +ATOM 3197 C MET B 343 27.937 88.643 55.744 1.00 47.55 C +ATOM 3198 O MET B 343 26.936 88.934 56.397 1.00 45.86 O +ATOM 3199 CB MET B 343 28.073 89.791 53.528 1.00 49.90 C +ATOM 3200 CG MET B 343 28.706 90.849 52.632 1.00 51.07 C +ATOM 3201 SD MET B 343 27.659 91.305 51.225 1.00 60.44 S +ATOM 3202 CE MET B 343 27.502 89.733 50.405 1.00 48.36 C +ATOM 3203 N ALA B 344 28.429 87.412 55.692 1.00 46.38 N +ATOM 3204 CA ALA B 344 27.817 86.318 56.432 1.00 47.23 C +ATOM 3205 C ALA B 344 28.162 86.457 57.909 1.00 46.49 C +ATOM 3206 O ALA B 344 27.360 86.121 58.777 1.00 46.22 O +ATOM 3207 CB ALA B 344 28.315 84.982 55.904 1.00 44.73 C +ATOM 3208 N THR B 345 29.364 86.949 58.188 1.00 45.51 N +ATOM 3209 CA THR B 345 29.804 87.135 59.561 1.00 45.91 C +ATOM 3210 C THR B 345 28.943 88.196 60.233 1.00 44.61 C +ATOM 3211 O THR B 345 28.535 88.039 61.380 1.00 45.63 O +ATOM 3212 CB THR B 345 31.282 87.569 59.624 1.00 48.50 C +ATOM 3213 OG1 THR B 345 32.115 86.492 59.177 1.00 51.77 O +ATOM 3214 CG2 THR B 345 31.669 87.946 61.046 1.00 45.81 C +ATOM 3215 N GLN B 346 28.658 89.268 59.503 1.00 43.78 N +ATOM 3216 CA GLN B 346 27.842 90.356 60.026 1.00 44.27 C +ATOM 3217 C GLN B 346 26.435 89.895 60.386 1.00 42.12 C +ATOM 3218 O GLN B 346 25.907 90.258 61.433 1.00 43.51 O +ATOM 3219 CB GLN B 346 27.748 91.478 59.000 1.00 42.02 C +ATOM 3220 CG GLN B 346 29.088 92.022 58.564 1.00 48.35 C +ATOM 3221 CD GLN B 346 28.953 93.152 57.576 1.00 46.02 C +ATOM 3222 OE1 GLN B 346 28.454 94.231 57.909 1.00 49.26 O +ATOM 3223 NE2 GLN B 346 29.387 92.911 56.345 1.00 44.94 N +ATOM 3224 N ILE B 347 25.827 89.107 59.504 1.00 41.15 N +ATOM 3225 CA ILE B 347 24.476 88.608 59.723 1.00 36.97 C +ATOM 3226 C ILE B 347 24.400 87.688 60.946 1.00 35.56 C +ATOM 3227 O ILE B 347 23.468 87.793 61.745 1.00 37.56 O +ATOM 3228 CB ILE B 347 23.952 87.867 58.460 1.00 41.25 C +ATOM 3229 CG1 ILE B 347 23.798 88.866 57.307 1.00 38.78 C +ATOM 3230 CG2 ILE B 347 22.612 87.200 58.754 1.00 35.71 C +ATOM 3231 CD1 ILE B 347 23.465 88.231 55.971 1.00 39.11 C +ATOM 3232 N SER B 348 25.371 86.792 61.098 1.00 32.63 N +ATOM 3233 CA SER B 348 25.374 85.891 62.244 1.00 37.65 C +ATOM 3234 C SER B 348 25.622 86.696 63.522 1.00 39.72 C +ATOM 3235 O SER B 348 25.186 86.313 64.600 1.00 39.52 O +ATOM 3236 CB SER B 348 26.441 84.798 62.082 1.00 39.08 C +ATOM 3237 OG SER B 348 27.744 85.338 61.974 1.00 39.72 O +ATOM 3238 N SER B 349 26.314 87.822 63.399 1.00 39.81 N +ATOM 3239 CA SER B 349 26.571 88.659 64.565 1.00 41.68 C +ATOM 3240 C SER B 349 25.253 89.254 65.059 1.00 36.17 C +ATOM 3241 O SER B 349 24.989 89.296 66.257 1.00 32.69 O +ATOM 3242 CB SER B 349 27.542 89.791 64.216 1.00 37.93 C +ATOM 3243 OG SER B 349 27.790 90.587 65.359 1.00 44.60 O +ATOM 3244 N ALA B 350 24.434 89.715 64.119 1.00 37.36 N +ATOM 3245 CA ALA B 350 23.139 90.305 64.433 1.00 36.42 C +ATOM 3246 C ALA B 350 22.184 89.252 64.991 1.00 42.46 C +ATOM 3247 O ALA B 350 21.376 89.545 65.878 1.00 41.06 O +ATOM 3248 CB ALA B 350 22.541 90.929 63.188 1.00 37.98 C +ATOM 3249 N MET B 351 22.270 88.033 64.464 1.00 40.36 N +ATOM 3250 CA MET B 351 21.407 86.954 64.923 1.00 41.47 C +ATOM 3251 C MET B 351 21.825 86.447 66.301 1.00 41.57 C +ATOM 3252 O MET B 351 20.977 86.044 67.095 1.00 36.51 O +ATOM 3253 CB MET B 351 21.403 85.795 63.920 1.00 41.63 C +ATOM 3254 CG MET B 351 20.660 86.100 62.623 1.00 41.13 C +ATOM 3255 SD MET B 351 19.047 86.874 62.913 1.00 43.15 S +ATOM 3256 CE MET B 351 18.236 85.597 63.882 1.00 42.87 C +ATOM 3257 N GLU B 352 23.127 86.467 66.583 1.00 39.99 N +ATOM 3258 CA GLU B 352 23.629 86.027 67.879 1.00 43.93 C +ATOM 3259 C GLU B 352 23.086 86.954 68.966 1.00 43.48 C +ATOM 3260 O GLU B 352 22.755 86.515 70.064 1.00 44.68 O +ATOM 3261 CB GLU B 352 25.164 86.035 67.893 1.00 48.86 C +ATOM 3262 CG GLU B 352 25.779 85.972 69.293 1.00 57.34 C +ATOM 3263 CD GLU B 352 27.291 85.764 69.280 1.00 63.06 C +ATOM 3264 OE1 GLU B 352 27.983 86.423 68.473 1.00 65.40 O +ATOM 3265 OE2 GLU B 352 27.790 84.948 70.087 1.00 67.45 O +ATOM 3266 N TYR B 353 22.986 88.238 68.636 1.00 42.90 N +ATOM 3267 CA TYR B 353 22.479 89.256 69.553 1.00 41.89 C +ATOM 3268 C TYR B 353 20.978 89.089 69.784 1.00 44.83 C +ATOM 3269 O TYR B 353 20.486 89.229 70.905 1.00 37.53 O +ATOM 3270 CB TYR B 353 22.755 90.646 68.974 1.00 42.28 C +ATOM 3271 CG TYR B 353 21.989 91.768 69.633 1.00 44.38 C +ATOM 3272 CD1 TYR B 353 22.502 92.438 70.747 1.00 44.91 C +ATOM 3273 CD2 TYR B 353 20.752 92.174 69.130 1.00 41.70 C +ATOM 3274 CE1 TYR B 353 21.797 93.498 71.339 1.00 43.06 C +ATOM 3275 CE2 TYR B 353 20.043 93.218 69.710 1.00 42.52 C +ATOM 3276 CZ TYR B 353 20.569 93.880 70.810 1.00 44.80 C +ATOM 3277 OH TYR B 353 19.872 94.936 71.351 1.00 45.54 O +ATOM 3278 N LEU B 354 20.255 88.804 68.709 1.00 44.23 N +ATOM 3279 CA LEU B 354 18.814 88.625 68.788 1.00 45.25 C +ATOM 3280 C LEU B 354 18.550 87.387 69.637 1.00 45.48 C +ATOM 3281 O LEU B 354 17.584 87.326 70.400 1.00 44.21 O +ATOM 3282 CB LEU B 354 18.245 88.443 67.382 1.00 46.09 C +ATOM 3283 CG LEU B 354 16.989 89.230 67.015 1.00 50.52 C +ATOM 3284 CD1 LEU B 354 17.219 90.721 67.209 1.00 45.57 C +ATOM 3285 CD2 LEU B 354 16.626 88.932 65.568 1.00 49.98 C +ATOM 3286 N GLU B 355 19.430 86.403 69.501 1.00 46.83 N +ATOM 3287 CA GLU B 355 19.330 85.160 70.252 1.00 48.13 C +ATOM 3288 C GLU B 355 19.435 85.487 71.738 1.00 50.27 C +ATOM 3289 O GLU B 355 18.570 85.116 72.531 1.00 49.16 O +ATOM 3290 CB GLU B 355 20.468 84.222 69.839 1.00 49.61 C +ATOM 3291 CG GLU B 355 20.430 82.836 70.457 1.00 52.59 C +ATOM 3292 CD GLU B 355 21.483 81.916 69.857 1.00 59.47 C +ATOM 3293 OE1 GLU B 355 22.677 82.065 70.202 1.00 59.55 O +ATOM 3294 OE2 GLU B 355 21.118 81.052 69.025 1.00 59.17 O +ATOM 3295 N LYS B 356 20.498 86.201 72.097 1.00 50.22 N +ATOM 3296 CA LYS B 356 20.751 86.591 73.479 1.00 51.76 C +ATOM 3297 C LYS B 356 19.598 87.370 74.107 1.00 51.92 C +ATOM 3298 O LYS B 356 19.281 87.173 75.280 1.00 55.00 O +ATOM 3299 CB LYS B 356 22.027 87.433 73.557 1.00 57.08 C +ATOM 3300 CG LYS B 356 22.384 87.884 74.963 1.00 60.99 C +ATOM 3301 CD LYS B 356 22.726 89.372 75.013 1.00 68.06 C +ATOM 3302 CE LYS B 356 23.909 89.721 74.114 1.00 68.70 C +ATOM 3303 NZ LYS B 356 24.292 91.160 74.222 1.00 68.76 N +ATOM 3304 N LYS B 357 18.977 88.259 73.338 1.00 51.34 N +ATOM 3305 CA LYS B 357 17.869 89.053 73.857 1.00 52.55 C +ATOM 3306 C LYS B 357 16.563 88.264 73.787 1.00 52.39 C +ATOM 3307 O LYS B 357 15.479 88.810 74.006 1.00 54.66 O +ATOM 3308 CB LYS B 357 17.737 90.372 73.077 1.00 55.59 C +ATOM 3309 CG LYS B 357 18.961 91.297 73.154 1.00 56.63 C +ATOM 3310 CD LYS B 357 19.171 91.930 74.542 1.00 63.56 C +ATOM 3311 CE LYS B 357 18.636 93.368 74.618 1.00 67.06 C +ATOM 3312 NZ LYS B 357 19.040 94.077 75.877 1.00 68.49 N +ATOM 3313 N ASN B 358 16.681 86.976 73.483 1.00 49.52 N +ATOM 3314 CA ASN B 358 15.525 86.086 73.391 1.00 53.82 C +ATOM 3315 C ASN B 358 14.467 86.459 72.354 1.00 51.77 C +ATOM 3316 O ASN B 358 13.276 86.233 72.566 1.00 49.27 O +ATOM 3317 CB ASN B 358 14.857 85.953 74.762 1.00 57.34 C +ATOM 3318 CG ASN B 358 15.710 85.191 75.751 1.00 63.23 C +ATOM 3319 OD1 ASN B 358 16.002 84.009 75.553 1.00 64.88 O +ATOM 3320 ND2 ASN B 358 16.121 85.863 76.823 1.00 64.37 N +ATOM 3321 N PHE B 359 14.893 87.037 71.237 1.00 50.74 N +ATOM 3322 CA PHE B 359 13.956 87.386 70.179 1.00 48.94 C +ATOM 3323 C PHE B 359 14.117 86.366 69.062 1.00 48.91 C +ATOM 3324 O PHE B 359 15.153 85.710 68.956 1.00 47.05 O +ATOM 3325 CB PHE B 359 14.239 88.778 69.605 1.00 49.23 C +ATOM 3326 CG PHE B 359 13.835 89.908 70.502 1.00 54.15 C +ATOM 3327 CD1 PHE B 359 14.650 90.303 71.556 1.00 59.49 C +ATOM 3328 CD2 PHE B 359 12.643 90.592 70.284 1.00 55.84 C +ATOM 3329 CE1 PHE B 359 14.286 91.369 72.384 1.00 59.73 C +ATOM 3330 CE2 PHE B 359 12.269 91.656 71.103 1.00 60.03 C +ATOM 3331 CZ PHE B 359 13.097 92.045 72.157 1.00 58.83 C +ATOM 3332 N ILE B 360 13.084 86.230 68.240 1.00 47.61 N +ATOM 3333 CA ILE B 360 13.119 85.321 67.102 1.00 45.03 C +ATOM 3334 C ILE B 360 12.891 86.236 65.909 1.00 43.76 C +ATOM 3335 O ILE B 360 12.130 87.196 66.012 1.00 44.52 O +ATOM 3336 CB ILE B 360 11.977 84.281 67.164 1.00 47.39 C +ATOM 3337 CG1 ILE B 360 12.125 83.416 68.411 1.00 46.50 C +ATOM 3338 CG2 ILE B 360 11.994 83.407 65.917 1.00 49.94 C +ATOM 3339 CD1 ILE B 360 10.991 82.422 68.591 1.00 53.95 C +ATOM 3340 N HIS B 361 13.551 85.969 64.787 1.00 42.35 N +ATOM 3341 CA HIS B 361 13.362 86.824 63.629 1.00 37.28 C +ATOM 3342 C HIS B 361 12.130 86.373 62.854 1.00 42.02 C +ATOM 3343 O HIS B 361 11.218 87.170 62.625 1.00 37.92 O +ATOM 3344 CB HIS B 361 14.592 86.809 62.721 1.00 34.94 C +ATOM 3345 CG HIS B 361 14.512 87.805 61.605 1.00 38.51 C +ATOM 3346 ND1 HIS B 361 13.534 87.755 60.634 1.00 41.05 N +ATOM 3347 CD2 HIS B 361 15.235 88.922 61.352 1.00 36.94 C +ATOM 3348 CE1 HIS B 361 13.655 88.799 59.834 1.00 43.74 C +ATOM 3349 NE2 HIS B 361 14.679 89.523 60.249 1.00 41.38 N +ATOM 3350 N ARG B 362 12.122 85.098 62.454 1.00 43.91 N +ATOM 3351 CA ARG B 362 11.007 84.476 61.725 1.00 49.09 C +ATOM 3352 C ARG B 362 10.984 84.569 60.203 1.00 47.30 C +ATOM 3353 O ARG B 362 10.291 83.792 59.548 1.00 49.17 O +ATOM 3354 CB ARG B 362 9.665 84.989 62.250 1.00 47.78 C +ATOM 3355 CG ARG B 362 8.965 84.061 63.214 1.00 53.51 C +ATOM 3356 CD ARG B 362 7.611 84.641 63.578 1.00 63.27 C +ATOM 3357 NE ARG B 362 6.991 83.952 64.704 1.00 73.72 N +ATOM 3358 CZ ARG B 362 5.989 84.455 65.419 1.00 78.38 C +ATOM 3359 NH1 ARG B 362 5.496 85.652 65.120 1.00 79.63 N +ATOM 3360 NH2 ARG B 362 5.486 83.769 66.438 1.00 79.55 N +ATOM 3361 N ASP B 363 11.716 85.514 59.631 1.00 45.67 N +ATOM 3362 CA ASP B 363 11.725 85.646 58.181 1.00 41.11 C +ATOM 3363 C ASP B 363 13.098 86.114 57.719 1.00 40.65 C +ATOM 3364 O ASP B 363 13.238 87.123 57.030 1.00 40.60 O +ATOM 3365 CB ASP B 363 10.629 86.621 57.753 1.00 40.55 C +ATOM 3366 CG ASP B 363 10.401 86.630 56.256 1.00 42.37 C +ATOM 3367 OD1 ASP B 363 10.935 85.748 55.553 1.00 40.32 O +ATOM 3368 OD2 ASP B 363 9.671 87.524 55.781 1.00 45.37 O +ATOM 3369 N LEU B 364 14.111 85.351 58.114 1.00 38.51 N +ATOM 3370 CA LEU B 364 15.490 85.642 57.770 1.00 40.49 C +ATOM 3371 C LEU B 364 15.748 85.230 56.324 1.00 41.07 C +ATOM 3372 O LEU B 364 15.540 84.078 55.952 1.00 41.06 O +ATOM 3373 CB LEU B 364 16.421 84.871 58.705 1.00 40.42 C +ATOM 3374 CG LEU B 364 17.882 85.297 58.767 1.00 42.42 C +ATOM 3375 CD1 LEU B 364 17.968 86.766 59.177 1.00 41.71 C +ATOM 3376 CD2 LEU B 364 18.615 84.411 59.771 1.00 43.45 C +ATOM 3377 N ALA B 365 16.198 86.181 55.514 1.00 37.10 N +ATOM 3378 CA ALA B 365 16.481 85.926 54.110 1.00 38.81 C +ATOM 3379 C ALA B 365 17.201 87.136 53.537 1.00 40.47 C +ATOM 3380 O ALA B 365 17.167 88.220 54.123 1.00 44.04 O +ATOM 3381 CB ALA B 365 15.181 85.683 53.345 1.00 35.54 C +ATOM 3382 N ALA B 366 17.846 86.955 52.391 1.00 37.66 N +ATOM 3383 CA ALA B 366 18.568 88.048 51.759 1.00 37.36 C +ATOM 3384 C ALA B 366 17.639 89.215 51.455 1.00 36.88 C +ATOM 3385 O ALA B 366 18.059 90.370 51.494 1.00 41.13 O +ATOM 3386 CB ALA B 366 19.239 87.563 50.479 1.00 36.20 C +ATOM 3387 N ARG B 367 16.375 88.918 51.165 1.00 36.20 N +ATOM 3388 CA ARG B 367 15.408 89.962 50.840 1.00 37.47 C +ATOM 3389 C ARG B 367 15.084 90.850 52.035 1.00 39.58 C +ATOM 3390 O ARG B 367 14.469 91.906 51.879 1.00 40.48 O +ATOM 3391 CB ARG B 367 14.112 89.352 50.282 1.00 39.82 C +ATOM 3392 CG ARG B 367 13.443 88.356 51.214 1.00 38.32 C +ATOM 3393 CD ARG B 367 12.083 87.891 50.697 1.00 38.54 C +ATOM 3394 NE ARG B 367 11.494 86.944 51.637 1.00 35.40 N +ATOM 3395 CZ ARG B 367 11.858 85.672 51.743 1.00 39.37 C +ATOM 3396 NH1 ARG B 367 12.806 85.181 50.952 1.00 39.13 N +ATOM 3397 NH2 ARG B 367 11.303 84.900 52.667 1.00 39.80 N +ATOM 3398 N ASN B 368 15.500 90.424 53.225 1.00 40.23 N +ATOM 3399 CA ASN B 368 15.256 91.199 54.439 1.00 41.87 C +ATOM 3400 C ASN B 368 16.529 91.806 55.011 1.00 43.14 C +ATOM 3401 O ASN B 368 16.586 92.147 56.190 1.00 44.09 O +ATOM 3402 CB ASN B 368 14.587 90.329 55.509 1.00 42.88 C +ATOM 3403 CG ASN B 368 13.080 90.327 55.392 1.00 42.86 C +ATOM 3404 OD1 ASN B 368 12.454 91.386 55.368 1.00 41.81 O +ATOM 3405 ND2 ASN B 368 12.484 89.139 55.325 1.00 46.50 N +ATOM 3406 N CYS B 369 17.551 91.937 54.174 1.00 43.07 N +ATOM 3407 CA CYS B 369 18.817 92.506 54.606 1.00 44.05 C +ATOM 3408 C CYS B 369 19.163 93.698 53.722 1.00 45.02 C +ATOM 3409 O CYS B 369 18.729 93.767 52.570 1.00 43.08 O +ATOM 3410 CB CYS B 369 19.923 91.453 54.534 1.00 38.25 C +ATOM 3411 SG CYS B 369 19.694 90.076 55.668 1.00 42.97 S +ATOM 3412 N LEU B 370 19.933 94.633 54.272 1.00 40.84 N +ATOM 3413 CA LEU B 370 20.332 95.831 53.539 1.00 43.08 C +ATOM 3414 C LEU B 370 21.842 95.917 53.439 1.00 40.71 C +ATOM 3415 O LEU B 370 22.558 95.310 54.229 1.00 42.49 O +ATOM 3416 CB LEU B 370 19.819 97.092 54.236 1.00 42.39 C +ATOM 3417 CG LEU B 370 18.315 97.313 54.389 1.00 42.77 C +ATOM 3418 CD1 LEU B 370 17.656 97.374 53.020 1.00 43.01 C +ATOM 3419 CD2 LEU B 370 17.729 96.198 55.231 1.00 48.97 C +ATOM 3420 N VAL B 371 22.322 96.676 52.461 1.00 40.28 N +ATOM 3421 CA VAL B 371 23.754 96.844 52.272 1.00 42.22 C +ATOM 3422 C VAL B 371 24.088 98.326 52.322 1.00 43.56 C +ATOM 3423 O VAL B 371 23.490 99.134 51.612 1.00 44.01 O +ATOM 3424 CB VAL B 371 24.222 96.275 50.914 1.00 39.08 C +ATOM 3425 CG1 VAL B 371 25.744 96.309 50.831 1.00 38.10 C +ATOM 3426 CG2 VAL B 371 23.716 94.856 50.746 1.00 38.10 C +ATOM 3427 N GLY B 372 25.035 98.678 53.182 1.00 44.86 N +ATOM 3428 CA GLY B 372 25.440 100.064 53.301 1.00 45.48 C +ATOM 3429 C GLY B 372 26.768 100.262 52.605 1.00 47.52 C +ATOM 3430 O GLY B 372 27.174 99.436 51.785 1.00 44.70 O +ATOM 3431 N GLU B 373 27.453 101.351 52.934 1.00 51.07 N +ATOM 3432 CA GLU B 373 28.742 101.638 52.325 1.00 52.60 C +ATOM 3433 C GLU B 373 29.776 100.670 52.880 1.00 49.91 C +ATOM 3434 O GLU B 373 29.658 100.205 54.012 1.00 48.06 O +ATOM 3435 CB GLU B 373 29.163 103.077 52.631 1.00 59.32 C +ATOM 3436 CG GLU B 373 30.043 103.709 51.565 1.00 66.60 C +ATOM 3437 CD GLU B 373 29.277 104.012 50.290 1.00 72.06 C +ATOM 3438 OE1 GLU B 373 28.258 104.733 50.369 1.00 74.97 O +ATOM 3439 OE2 GLU B 373 29.691 103.534 49.210 1.00 76.33 O +ATOM 3440 N ASN B 374 30.782 100.362 52.071 1.00 50.75 N +ATOM 3441 CA ASN B 374 31.852 99.456 52.472 1.00 51.23 C +ATOM 3442 C ASN B 374 31.360 98.057 52.837 1.00 49.34 C +ATOM 3443 O ASN B 374 31.865 97.432 53.769 1.00 48.33 O +ATOM 3444 CB ASN B 374 32.631 100.059 53.641 1.00 57.43 C +ATOM 3445 CG ASN B 374 33.260 101.396 53.289 1.00 62.52 C +ATOM 3446 OD1 ASN B 374 34.108 101.481 52.399 1.00 65.43 O +ATOM 3447 ND2 ASN B 374 32.840 102.449 53.982 1.00 64.66 N +ATOM 3448 N HIS B 375 30.367 97.575 52.098 1.00 47.47 N +ATOM 3449 CA HIS B 375 29.826 96.237 52.314 1.00 47.74 C +ATOM 3450 C HIS B 375 29.304 95.998 53.723 1.00 44.50 C +ATOM 3451 O HIS B 375 29.449 94.905 54.283 1.00 41.71 O +ATOM 3452 CB HIS B 375 30.896 95.207 51.958 1.00 51.06 C +ATOM 3453 CG HIS B 375 31.372 95.321 50.545 1.00 52.88 C +ATOM 3454 ND1 HIS B 375 32.684 95.112 50.180 1.00 54.17 N +ATOM 3455 CD2 HIS B 375 30.713 95.657 49.411 1.00 51.98 C +ATOM 3456 CE1 HIS B 375 32.814 95.321 48.882 1.00 54.37 C +ATOM 3457 NE2 HIS B 375 31.633 95.653 48.392 1.00 53.75 N +ATOM 3458 N LEU B 376 28.698 97.038 54.285 1.00 41.92 N +ATOM 3459 CA LEU B 376 28.112 96.974 55.613 1.00 45.47 C +ATOM 3460 C LEU B 376 26.752 96.324 55.382 1.00 42.97 C +ATOM 3461 O LEU B 376 26.012 96.738 54.491 1.00 39.45 O +ATOM 3462 CB LEU B 376 27.916 98.386 56.178 1.00 40.75 C +ATOM 3463 CG LEU B 376 27.933 98.582 57.698 1.00 48.67 C +ATOM 3464 CD1 LEU B 376 27.477 100.005 58.020 1.00 47.57 C +ATOM 3465 CD2 LEU B 376 27.037 97.571 58.386 1.00 42.83 C +ATOM 3466 N VAL B 377 26.431 95.305 56.170 1.00 43.20 N +ATOM 3467 CA VAL B 377 25.151 94.625 56.028 1.00 45.83 C +ATOM 3468 C VAL B 377 24.359 94.604 57.330 1.00 44.54 C +ATOM 3469 O VAL B 377 24.893 94.268 58.389 1.00 43.34 O +ATOM 3470 CB VAL B 377 25.343 93.172 55.547 1.00 46.68 C +ATOM 3471 CG1 VAL B 377 23.999 92.483 55.442 1.00 49.77 C +ATOM 3472 CG2 VAL B 377 26.043 93.164 54.200 1.00 46.39 C +ATOM 3473 N LYS B 378 23.084 94.970 57.245 1.00 43.50 N +ATOM 3474 CA LYS B 378 22.218 94.978 58.414 1.00 44.23 C +ATOM 3475 C LYS B 378 20.972 94.132 58.201 1.00 43.11 C +ATOM 3476 O LYS B 378 20.404 94.110 57.111 1.00 43.44 O +ATOM 3477 CB LYS B 378 21.799 96.409 58.776 1.00 45.43 C +ATOM 3478 CG LYS B 378 22.728 97.091 59.774 1.00 48.24 C +ATOM 3479 CD LYS B 378 23.717 98.005 59.094 1.00 50.86 C +ATOM 3480 CE LYS B 378 23.290 99.459 59.226 1.00 54.33 C +ATOM 3481 NZ LYS B 378 23.361 99.953 60.637 1.00 53.28 N +ATOM 3482 N VAL B 379 20.553 93.434 59.250 1.00 42.09 N +ATOM 3483 CA VAL B 379 19.357 92.607 59.180 1.00 39.06 C +ATOM 3484 C VAL B 379 18.143 93.487 59.456 1.00 41.73 C +ATOM 3485 O VAL B 379 18.201 94.436 60.251 1.00 36.73 O +ATOM 3486 CB VAL B 379 19.386 91.470 60.222 1.00 42.29 C +ATOM 3487 CG1 VAL B 379 18.054 90.728 60.217 1.00 38.55 C +ATOM 3488 CG2 VAL B 379 20.531 90.510 59.918 1.00 41.15 C +ATOM 3489 N ALA B 380 17.040 93.170 58.795 1.00 38.27 N +ATOM 3490 CA ALA B 380 15.816 93.928 58.965 1.00 39.90 C +ATOM 3491 C ALA B 380 14.625 92.978 58.893 1.00 41.97 C +ATOM 3492 O ALA B 380 14.795 91.764 58.750 1.00 38.02 O +ATOM 3493 CB ALA B 380 15.714 94.985 57.871 1.00 36.31 C +ATOM 3494 N ASP B 381 13.425 93.535 59.005 1.00 40.71 N +ATOM 3495 CA ASP B 381 12.202 92.743 58.911 1.00 44.98 C +ATOM 3496 C ASP B 381 11.152 93.648 58.295 1.00 42.69 C +ATOM 3497 O ASP B 381 10.478 94.398 58.995 1.00 42.92 O +ATOM 3498 CB ASP B 381 11.739 92.266 60.286 1.00 46.36 C +ATOM 3499 CG ASP B 381 10.585 91.279 60.197 1.00 52.76 C +ATOM 3500 OD1 ASP B 381 9.566 91.607 59.552 1.00 55.91 O +ATOM 3501 OD2 ASP B 381 10.695 90.175 60.768 1.00 56.26 O +ATOM 3502 N PHE B 382 11.021 93.568 56.977 1.00 42.29 N +ATOM 3503 CA PHE B 382 10.086 94.411 56.243 1.00 44.71 C +ATOM 3504 C PHE B 382 8.643 93.923 56.218 1.00 45.58 C +ATOM 3505 O PHE B 382 7.775 94.601 55.669 1.00 47.77 O +ATOM 3506 CB PHE B 382 10.587 94.581 54.806 1.00 44.03 C +ATOM 3507 CG PHE B 382 12.011 95.054 54.713 1.00 42.22 C +ATOM 3508 CD1 PHE B 382 12.884 94.493 53.783 1.00 40.74 C +ATOM 3509 CD2 PHE B 382 12.476 96.071 55.539 1.00 45.39 C +ATOM 3510 CE1 PHE B 382 14.195 94.941 53.678 1.00 45.20 C +ATOM 3511 CE2 PHE B 382 13.789 96.528 55.441 1.00 42.75 C +ATOM 3512 CZ PHE B 382 14.649 95.964 54.509 1.00 42.32 C +ATOM 3513 N GLY B 383 8.380 92.764 56.815 1.00 44.09 N +ATOM 3514 CA GLY B 383 7.028 92.231 56.806 1.00 48.34 C +ATOM 3515 C GLY B 383 6.614 91.972 55.368 1.00 50.90 C +ATOM 3516 O GLY B 383 5.533 92.367 54.931 1.00 51.41 O +ATOM 3517 N LEU B 384 7.491 91.295 54.634 1.00 52.75 N +ATOM 3518 CA LEU B 384 7.275 90.992 53.228 1.00 55.19 C +ATOM 3519 C LEU B 384 6.114 90.057 52.892 1.00 58.94 C +ATOM 3520 O LEU B 384 5.530 90.167 51.816 1.00 59.47 O +ATOM 3521 CB LEU B 384 8.573 90.446 52.632 1.00 54.88 C +ATOM 3522 CG LEU B 384 9.726 91.454 52.662 1.00 51.59 C +ATOM 3523 CD1 LEU B 384 11.017 90.796 52.208 1.00 45.97 C +ATOM 3524 CD2 LEU B 384 9.373 92.637 51.771 1.00 53.04 C +ATOM 3525 N SER B 385 5.774 89.140 53.792 1.00 64.05 N +ATOM 3526 CA SER B 385 4.665 88.222 53.535 1.00 70.12 C +ATOM 3527 C SER B 385 3.354 88.996 53.607 1.00 75.85 C +ATOM 3528 O SER B 385 2.314 88.534 53.139 1.00 76.77 O +ATOM 3529 CB SER B 385 4.644 87.096 54.572 1.00 67.12 C +ATOM 3530 OG SER B 385 4.282 87.583 55.852 1.00 58.83 O +ATOM 3531 N ARG B 386 3.428 90.182 54.200 1.00 82.61 N +ATOM 3532 CA ARG B 386 2.281 91.063 54.383 1.00 88.74 C +ATOM 3533 C ARG B 386 1.923 91.878 53.135 1.00 92.31 C +ATOM 3534 O ARG B 386 0.913 92.586 53.123 1.00 92.08 O +ATOM 3535 CB ARG B 386 2.571 92.001 55.564 1.00 90.89 C +ATOM 3536 CG ARG B 386 1.681 93.230 55.686 1.00 93.95 C +ATOM 3537 CD ARG B 386 2.246 94.181 56.733 1.00 95.77 C +ATOM 3538 NE ARG B 386 1.632 95.505 56.687 1.00 96.72 N +ATOM 3539 CZ ARG B 386 2.028 96.535 57.430 1.00 97.73 C +ATOM 3540 NH1 ARG B 386 3.037 96.392 58.279 1.00 97.41 N +ATOM 3541 NH2 ARG B 386 1.421 97.710 57.322 1.00 97.83 N +ATOM 3542 N LEU B 387 2.728 91.772 52.081 1.00 95.98 N +ATOM 3543 CA LEU B 387 2.449 92.543 50.874 1.00 99.89 C +ATOM 3544 C LEU B 387 3.150 92.098 49.589 1.00102.93 C +ATOM 3545 O LEU B 387 2.554 92.136 48.510 1.00104.09 O +ATOM 3546 CB LEU B 387 2.756 94.022 51.144 1.00 98.96 C +ATOM 3547 CG LEU B 387 3.996 94.333 51.993 1.00 98.28 C +ATOM 3548 CD1 LEU B 387 5.267 93.986 51.236 1.00 97.78 C +ATOM 3549 CD2 LEU B 387 3.992 95.803 52.361 1.00 98.14 C +ATOM 3550 N MET B 388 4.407 91.680 49.699 1.00105.85 N +ATOM 3551 CA MET B 388 5.177 91.256 48.532 1.00107.68 C +ATOM 3552 C MET B 388 4.792 89.870 48.025 1.00108.48 C +ATOM 3553 O MET B 388 5.165 88.855 48.613 1.00109.34 O +ATOM 3554 CB MET B 388 6.676 91.300 48.854 1.00108.44 C +ATOM 3555 CG MET B 388 7.590 90.839 47.725 1.00108.77 C +ATOM 3556 SD MET B 388 8.091 89.110 47.867 1.00109.33 S +ATOM 3557 CE MET B 388 9.663 89.289 48.714 1.00105.50 C +ATOM 3558 N THR B 389 4.042 89.840 46.927 1.00108.91 N +ATOM 3559 CA THR B 389 3.608 88.585 46.324 1.00109.26 C +ATOM 3560 C THR B 389 4.803 87.844 45.727 1.00109.02 C +ATOM 3561 O THR B 389 5.945 88.282 45.862 1.00108.94 O +ATOM 3562 CB THR B 389 2.553 88.839 45.217 1.00109.72 C +ATOM 3563 OG1 THR B 389 2.282 87.617 44.516 1.00108.56 O +ATOM 3564 CG2 THR B 389 3.046 89.897 44.240 1.00109.05 C +ATOM 3565 N GLY B 390 4.537 86.718 45.074 1.00108.54 N +ATOM 3566 CA GLY B 390 5.610 85.950 44.472 1.00107.43 C +ATOM 3567 C GLY B 390 5.700 84.538 45.010 1.00107.08 C +ATOM 3568 O GLY B 390 5.191 84.240 46.092 1.00107.57 O +ATOM 3569 N ASP B 391 6.361 83.668 44.252 1.00106.09 N +ATOM 3570 CA ASP B 391 6.530 82.270 44.632 1.00103.55 C +ATOM 3571 C ASP B 391 7.237 82.178 45.984 1.00100.42 C +ATOM 3572 O ASP B 391 7.327 81.105 46.583 1.00 99.63 O +ATOM 3573 CB ASP B 391 7.344 81.537 43.563 1.00105.12 C +ATOM 3574 CG ASP B 391 7.140 80.036 43.602 1.00107.68 C +ATOM 3575 OD1 ASP B 391 7.918 79.311 42.944 1.00108.66 O +ATOM 3576 OD2 ASP B 391 6.195 79.581 44.280 1.00108.47 O +ATOM 3577 N THR B 392 7.738 83.318 46.454 1.00 96.37 N +ATOM 3578 CA THR B 392 8.428 83.391 47.732 1.00 92.38 C +ATOM 3579 C THR B 392 7.475 83.004 48.850 1.00 90.43 C +ATOM 3580 O THR B 392 7.679 81.999 49.527 1.00 89.91 O +ATOM 3581 CB THR B 392 8.945 84.812 48.024 1.00 91.96 C +ATOM 3582 OG1 THR B 392 9.865 85.212 47.002 1.00 91.73 O +ATOM 3583 CG2 THR B 392 9.643 84.850 49.372 1.00 90.52 C +ATOM 3584 N TYR B 393 6.435 83.805 49.054 1.00 88.33 N +ATOM 3585 CA TYR B 393 5.484 83.500 50.110 1.00 87.81 C +ATOM 3586 C TYR B 393 4.281 82.724 49.614 1.00 88.50 C +ATOM 3587 O TYR B 393 3.725 83.004 48.552 1.00 87.91 O +ATOM 3588 CB TYR B 393 5.041 84.773 50.823 1.00 84.96 C +ATOM 3589 CG TYR B 393 6.185 85.463 51.516 1.00 81.76 C +ATOM 3590 CD1 TYR B 393 6.928 86.443 50.860 1.00 79.05 C +ATOM 3591 CD2 TYR B 393 6.547 85.115 52.817 1.00 79.35 C +ATOM 3592 CE1 TYR B 393 8.001 87.063 51.480 1.00 77.45 C +ATOM 3593 CE2 TYR B 393 7.623 85.728 53.451 1.00 77.45 C +ATOM 3594 CZ TYR B 393 8.345 86.704 52.775 1.00 77.81 C +ATOM 3595 OH TYR B 393 9.405 87.331 53.389 1.00 73.09 O +ATOM 3596 N THR B 394 3.885 81.743 50.411 1.00 88.86 N +ATOM 3597 CA THR B 394 2.772 80.877 50.078 1.00 90.08 C +ATOM 3598 C THR B 394 1.830 80.741 51.265 1.00 90.30 C +ATOM 3599 O THR B 394 2.140 81.197 52.363 1.00 90.29 O +ATOM 3600 CB THR B 394 3.311 79.491 49.664 1.00 90.77 C +ATOM 3601 OG1 THR B 394 3.947 79.597 48.385 1.00 90.67 O +ATOM 3602 CG2 THR B 394 2.205 78.461 49.607 1.00 91.02 C +ATOM 3603 N ALA B 395 0.683 80.108 51.032 1.00 92.17 N +ATOM 3604 CA ALA B 395 -0.330 79.894 52.062 1.00 93.30 C +ATOM 3605 C ALA B 395 0.110 78.906 53.144 1.00 94.85 C +ATOM 3606 O ALA B 395 0.607 77.816 52.850 1.00 95.37 O +ATOM 3607 CB ALA B 395 -1.619 79.412 51.418 1.00 92.96 C +ATOM 3608 N HIS B 396 -0.096 79.294 54.400 1.00 96.13 N +ATOM 3609 CA HIS B 396 0.285 78.465 55.537 1.00 97.49 C +ATOM 3610 C HIS B 396 -0.261 79.037 56.841 1.00 97.02 C +ATOM 3611 O HIS B 396 -0.073 80.220 57.138 1.00 96.46 O +ATOM 3612 CB HIS B 396 1.808 78.377 55.606 1.00100.00 C +ATOM 3613 CG HIS B 396 2.318 77.268 56.469 1.00103.17 C +ATOM 3614 ND1 HIS B 396 2.308 77.324 57.848 1.00105.51 N +ATOM 3615 CD2 HIS B 396 2.879 76.081 56.145 1.00104.07 C +ATOM 3616 CE1 HIS B 396 2.846 76.219 58.333 1.00105.21 C +ATOM 3617 NE2 HIS B 396 3.201 75.448 57.321 1.00105.24 N +ATOM 3618 N ALA B 397 -0.919 78.182 57.620 1.00 96.42 N +ATOM 3619 CA ALA B 397 -1.510 78.584 58.889 1.00 95.22 C +ATOM 3620 C ALA B 397 -2.421 79.762 58.603 1.00 94.55 C +ATOM 3621 O ALA B 397 -2.515 80.707 59.388 1.00 95.07 O +ATOM 3622 CB ALA B 397 -0.426 78.976 59.875 1.00 94.46 C +ATOM 3623 N GLY B 398 -3.087 79.690 57.456 1.00 93.37 N +ATOM 3624 CA GLY B 398 -3.985 80.751 57.051 1.00 92.57 C +ATOM 3625 C GLY B 398 -3.207 81.961 56.573 1.00 92.15 C +ATOM 3626 O GLY B 398 -3.670 82.704 55.706 1.00 93.22 O +ATOM 3627 N ALA B 399 -2.021 82.159 57.142 1.00 90.20 N +ATOM 3628 CA ALA B 399 -1.160 83.279 56.775 1.00 86.69 C +ATOM 3629 C ALA B 399 -0.246 82.850 55.633 1.00 83.96 C +ATOM 3630 O ALA B 399 -0.533 81.878 54.934 1.00 82.76 O +ATOM 3631 CB ALA B 399 -0.330 83.722 57.977 1.00 86.13 C +ATOM 3632 N LYS B 400 0.848 83.577 55.435 1.00 80.89 N +ATOM 3633 CA LYS B 400 1.785 83.237 54.373 1.00 77.37 C +ATOM 3634 C LYS B 400 3.196 83.069 54.909 1.00 74.19 C +ATOM 3635 O LYS B 400 3.632 83.820 55.776 1.00 72.06 O +ATOM 3636 CB LYS B 400 1.761 84.300 53.271 1.00 78.88 C +ATOM 3637 CG LYS B 400 0.458 84.337 52.487 1.00 79.79 C +ATOM 3638 CD LYS B 400 0.579 85.204 51.247 1.00 82.91 C +ATOM 3639 CE LYS B 400 -0.699 85.165 50.423 1.00 83.71 C +ATOM 3640 NZ LYS B 400 -0.578 85.965 49.173 1.00 83.83 N +ATOM 3641 N PHE B 401 3.903 82.075 54.380 1.00 73.11 N +ATOM 3642 CA PHE B 401 5.268 81.778 54.800 1.00 71.48 C +ATOM 3643 C PHE B 401 6.141 81.423 53.602 1.00 68.24 C +ATOM 3644 O PHE B 401 5.652 80.894 52.604 1.00 69.79 O +ATOM 3645 CB PHE B 401 5.273 80.593 55.777 1.00 76.06 C +ATOM 3646 CG PHE B 401 4.671 80.898 57.124 1.00 80.39 C +ATOM 3647 CD1 PHE B 401 4.005 79.905 57.836 1.00 81.97 C +ATOM 3648 CD2 PHE B 401 4.787 82.164 57.694 1.00 82.77 C +ATOM 3649 CE1 PHE B 401 3.462 80.169 59.093 1.00 83.90 C +ATOM 3650 CE2 PHE B 401 4.248 82.437 58.950 1.00 82.28 C +ATOM 3651 CZ PHE B 401 3.585 81.439 59.650 1.00 83.17 C +ATOM 3652 N PRO B 402 7.446 81.731 53.678 1.00 64.67 N +ATOM 3653 CA PRO B 402 8.375 81.422 52.587 1.00 60.15 C +ATOM 3654 C PRO B 402 8.840 79.978 52.780 1.00 57.73 C +ATOM 3655 O PRO B 402 9.864 79.720 53.416 1.00 57.02 O +ATOM 3656 CB PRO B 402 9.489 82.436 52.797 1.00 61.76 C +ATOM 3657 CG PRO B 402 9.562 82.521 54.288 1.00 61.06 C +ATOM 3658 CD PRO B 402 8.099 82.579 54.694 1.00 63.09 C +ATOM 3659 N ILE B 403 8.062 79.046 52.237 1.00 54.84 N +ATOM 3660 CA ILE B 403 8.329 77.615 52.352 1.00 49.28 C +ATOM 3661 C ILE B 403 9.788 77.196 52.181 1.00 46.51 C +ATOM 3662 O ILE B 403 10.310 76.417 52.979 1.00 46.17 O +ATOM 3663 CB ILE B 403 7.473 76.822 51.343 1.00 53.22 C +ATOM 3664 CG1 ILE B 403 5.990 77.127 51.569 1.00 56.68 C +ATOM 3665 CG2 ILE B 403 7.728 75.331 51.496 1.00 54.57 C +ATOM 3666 CD1 ILE B 403 5.478 76.726 52.943 1.00 60.66 C +ATOM 3667 N LYS B 404 10.449 77.710 51.150 1.00 43.32 N +ATOM 3668 CA LYS B 404 11.839 77.345 50.897 1.00 45.29 C +ATOM 3669 C LYS B 404 12.862 77.845 51.927 1.00 45.08 C +ATOM 3670 O LYS B 404 14.029 77.462 51.874 1.00 40.37 O +ATOM 3671 CB LYS B 404 12.253 77.799 49.495 1.00 47.44 C +ATOM 3672 CG LYS B 404 11.600 77.010 48.364 1.00 51.71 C +ATOM 3673 CD LYS B 404 12.136 77.457 47.010 1.00 59.07 C +ATOM 3674 CE LYS B 404 11.398 76.797 45.852 1.00 63.83 C +ATOM 3675 NZ LYS B 404 11.518 75.316 45.872 1.00 66.28 N +ATOM 3676 N TRP B 405 12.421 78.690 52.857 1.00 43.26 N +ATOM 3677 CA TRP B 405 13.287 79.230 53.914 1.00 44.35 C +ATOM 3678 C TRP B 405 12.816 78.714 55.275 1.00 45.92 C +ATOM 3679 O TRP B 405 13.487 78.902 56.289 1.00 46.80 O +ATOM 3680 CB TRP B 405 13.220 80.766 53.931 1.00 41.89 C +ATOM 3681 CG TRP B 405 14.113 81.469 52.947 1.00 37.51 C +ATOM 3682 CD1 TRP B 405 15.362 81.976 53.188 1.00 41.01 C +ATOM 3683 CD2 TRP B 405 13.824 81.756 51.572 1.00 40.95 C +ATOM 3684 NE1 TRP B 405 15.866 82.564 52.051 1.00 38.04 N +ATOM 3685 CE2 TRP B 405 14.943 82.443 51.044 1.00 39.54 C +ATOM 3686 CE3 TRP B 405 12.727 81.503 50.734 1.00 39.21 C +ATOM 3687 CZ2 TRP B 405 14.994 82.879 49.716 1.00 37.01 C +ATOM 3688 CZ3 TRP B 405 12.780 81.938 49.414 1.00 37.12 C +ATOM 3689 CH2 TRP B 405 13.905 82.619 48.920 1.00 41.36 C +ATOM 3690 N THR B 406 11.663 78.053 55.282 1.00 45.75 N +ATOM 3691 CA THR B 406 11.053 77.548 56.507 1.00 45.29 C +ATOM 3692 C THR B 406 11.493 76.167 56.975 1.00 45.66 C +ATOM 3693 O THR B 406 11.519 75.208 56.203 1.00 45.29 O +ATOM 3694 CB THR B 406 9.529 77.543 56.367 1.00 45.72 C +ATOM 3695 OG1 THR B 406 9.095 78.843 55.952 1.00 49.87 O +ATOM 3696 CG2 THR B 406 8.869 77.184 57.689 1.00 49.56 C +ATOM 3697 N ALA B 407 11.810 76.080 58.264 1.00 44.67 N +ATOM 3698 CA ALA B 407 12.258 74.839 58.886 1.00 43.43 C +ATOM 3699 C ALA B 407 11.137 73.786 58.939 1.00 45.39 C +ATOM 3700 O ALA B 407 9.954 74.122 59.030 1.00 36.97 O +ATOM 3701 CB ALA B 407 12.770 75.135 60.293 1.00 36.35 C +ATOM 3702 N PRO B 408 11.503 72.496 58.881 1.00 47.56 N +ATOM 3703 CA PRO B 408 10.539 71.388 58.922 1.00 49.63 C +ATOM 3704 C PRO B 408 9.515 71.499 60.052 1.00 50.38 C +ATOM 3705 O PRO B 408 8.307 71.433 59.810 1.00 51.33 O +ATOM 3706 CB PRO B 408 11.435 70.163 59.075 1.00 52.37 C +ATOM 3707 CG PRO B 408 12.646 70.551 58.281 1.00 52.18 C +ATOM 3708 CD PRO B 408 12.876 71.989 58.711 1.00 47.72 C +ATOM 3709 N GLU B 409 10.001 71.669 61.279 1.00 47.91 N +ATOM 3710 CA GLU B 409 9.127 71.780 62.443 1.00 47.85 C +ATOM 3711 C GLU B 409 8.154 72.949 62.306 1.00 49.49 C +ATOM 3712 O GLU B 409 7.024 72.886 62.796 1.00 51.37 O +ATOM 3713 CB GLU B 409 9.954 71.976 63.714 1.00 50.73 C +ATOM 3714 CG GLU B 409 10.641 73.333 63.782 1.00 49.30 C +ATOM 3715 CD GLU B 409 12.117 73.270 63.443 1.00 49.71 C +ATOM 3716 OE1 GLU B 409 12.510 72.407 62.631 1.00 51.12 O +ATOM 3717 OE2 GLU B 409 12.883 74.095 63.983 1.00 51.98 O +ATOM 3718 N SER B 410 8.603 74.018 61.652 1.00 44.40 N +ATOM 3719 CA SER B 410 7.776 75.204 61.454 1.00 45.83 C +ATOM 3720 C SER B 410 6.685 74.939 60.424 1.00 46.48 C +ATOM 3721 O SER B 410 5.587 75.477 60.523 1.00 48.07 O +ATOM 3722 CB SER B 410 8.639 76.385 60.992 1.00 44.33 C +ATOM 3723 OG SER B 410 9.675 76.658 61.922 1.00 43.10 O +ATOM 3724 N LEU B 411 7.001 74.117 59.428 1.00 47.38 N +ATOM 3725 CA LEU B 411 6.041 73.769 58.386 1.00 49.69 C +ATOM 3726 C LEU B 411 4.993 72.780 58.900 1.00 50.59 C +ATOM 3727 O LEU B 411 3.801 72.933 58.633 1.00 49.41 O +ATOM 3728 CB LEU B 411 6.764 73.159 57.178 1.00 48.27 C +ATOM 3729 CG LEU B 411 7.581 74.106 56.288 1.00 45.55 C +ATOM 3730 CD1 LEU B 411 8.377 73.319 55.249 1.00 45.56 C +ATOM 3731 CD2 LEU B 411 6.642 75.077 55.611 1.00 46.75 C +ATOM 3732 N ALA B 412 5.440 71.783 59.656 1.00 52.49 N +ATOM 3733 CA ALA B 412 4.548 70.749 60.177 1.00 57.20 C +ATOM 3734 C ALA B 412 3.726 71.100 61.417 1.00 59.67 C +ATOM 3735 O ALA B 412 2.547 70.746 61.495 1.00 59.80 O +ATOM 3736 CB ALA B 412 5.345 69.472 60.437 1.00 55.68 C +ATOM 3737 N TYR B 413 4.332 71.787 62.383 1.00 61.57 N +ATOM 3738 CA TYR B 413 3.617 72.131 63.611 1.00 62.41 C +ATOM 3739 C TYR B 413 3.602 73.622 63.935 1.00 60.98 C +ATOM 3740 O TYR B 413 3.224 74.019 65.039 1.00 54.23 O +ATOM 3741 CB TYR B 413 4.216 71.361 64.792 1.00 66.43 C +ATOM 3742 CG TYR B 413 4.663 69.960 64.436 1.00 72.86 C +ATOM 3743 CD1 TYR B 413 5.924 69.730 63.882 1.00 75.43 C +ATOM 3744 CD2 TYR B 413 3.817 68.868 64.622 1.00 75.63 C +ATOM 3745 CE1 TYR B 413 6.331 68.443 63.522 1.00 77.75 C +ATOM 3746 CE2 TYR B 413 4.213 67.576 64.263 1.00 78.28 C +ATOM 3747 CZ TYR B 413 5.471 67.371 63.714 1.00 78.89 C +ATOM 3748 OH TYR B 413 5.864 66.100 63.356 1.00 79.66 O +ATOM 3749 N ASN B 414 4.007 74.443 62.972 1.00 60.67 N +ATOM 3750 CA ASN B 414 4.038 75.890 63.163 1.00 62.84 C +ATOM 3751 C ASN B 414 4.831 76.309 64.395 1.00 60.64 C +ATOM 3752 O ASN B 414 4.504 77.299 65.046 1.00 57.18 O +ATOM 3753 CB ASN B 414 2.614 76.438 63.258 1.00 67.26 C +ATOM 3754 CG ASN B 414 1.893 76.419 61.928 1.00 73.04 C +ATOM 3755 OD1 ASN B 414 2.031 77.338 61.118 1.00 76.92 O +ATOM 3756 ND2 ASN B 414 1.123 75.364 61.692 1.00 73.40 N +ATOM 3757 N LYS B 415 5.875 75.551 64.711 1.00 59.71 N +ATOM 3758 CA LYS B 415 6.718 75.862 65.856 1.00 59.77 C +ATOM 3759 C LYS B 415 7.915 76.696 65.413 1.00 58.43 C +ATOM 3760 O LYS B 415 8.851 76.186 64.792 1.00 58.59 O +ATOM 3761 CB LYS B 415 7.201 74.574 66.529 1.00 64.86 C +ATOM 3762 CG LYS B 415 6.091 73.781 67.207 1.00 71.55 C +ATOM 3763 CD LYS B 415 6.595 72.447 67.744 1.00 76.07 C +ATOM 3764 CE LYS B 415 5.465 71.656 68.389 1.00 78.31 C +ATOM 3765 NZ LYS B 415 5.894 70.292 68.808 1.00 78.93 N +ATOM 3766 N PHE B 416 7.871 77.985 65.723 1.00 53.98 N +ATOM 3767 CA PHE B 416 8.957 78.886 65.369 1.00 52.76 C +ATOM 3768 C PHE B 416 9.841 79.144 66.576 1.00 51.11 C +ATOM 3769 O PHE B 416 9.355 79.300 67.693 1.00 52.83 O +ATOM 3770 CB PHE B 416 8.413 80.218 64.857 1.00 50.17 C +ATOM 3771 CG PHE B 416 7.721 80.121 63.534 1.00 54.39 C +ATOM 3772 CD1 PHE B 416 6.405 79.681 63.452 1.00 54.94 C +ATOM 3773 CD2 PHE B 416 8.385 80.478 62.366 1.00 54.34 C +ATOM 3774 CE1 PHE B 416 5.759 79.601 62.221 1.00 56.03 C +ATOM 3775 CE2 PHE B 416 7.751 80.401 61.132 1.00 55.73 C +ATOM 3776 CZ PHE B 416 6.435 79.963 61.058 1.00 55.82 C +ATOM 3777 N SER B 417 11.144 79.191 66.349 1.00 47.39 N +ATOM 3778 CA SER B 417 12.076 79.439 67.434 1.00 47.42 C +ATOM 3779 C SER B 417 13.384 79.974 66.874 1.00 47.40 C +ATOM 3780 O SER B 417 13.507 80.230 65.677 1.00 47.39 O +ATOM 3781 CB SER B 417 12.339 78.149 68.222 1.00 43.71 C +ATOM 3782 OG SER B 417 13.054 77.208 67.441 1.00 39.03 O +ATOM 3783 N ILE B 418 14.361 80.136 67.753 1.00 47.40 N +ATOM 3784 CA ILE B 418 15.661 80.633 67.355 1.00 48.26 C +ATOM 3785 C ILE B 418 16.301 79.617 66.401 1.00 45.79 C +ATOM 3786 O ILE B 418 17.032 79.987 65.479 1.00 44.19 O +ATOM 3787 CB ILE B 418 16.549 80.860 68.608 1.00 46.43 C +ATOM 3788 CG1 ILE B 418 17.400 82.114 68.417 1.00 48.11 C +ATOM 3789 CG2 ILE B 418 17.412 79.640 68.884 1.00 45.13 C +ATOM 3790 CD1 ILE B 418 18.308 82.069 67.227 1.00 48.96 C +ATOM 3791 N LYS B 419 16.007 78.336 66.615 1.00 46.30 N +ATOM 3792 CA LYS B 419 16.556 77.279 65.771 1.00 44.64 C +ATOM 3793 C LYS B 419 15.925 77.267 64.379 1.00 44.82 C +ATOM 3794 O LYS B 419 16.535 76.788 63.421 1.00 47.43 O +ATOM 3795 CB LYS B 419 16.379 75.915 66.440 1.00 47.35 C +ATOM 3796 CG LYS B 419 17.202 75.736 67.709 1.00 49.72 C +ATOM 3797 CD LYS B 419 18.691 75.849 67.421 1.00 47.13 C +ATOM 3798 CE LYS B 419 19.519 75.550 68.656 1.00 45.98 C +ATOM 3799 NZ LYS B 419 20.958 75.832 68.401 1.00 49.71 N +ATOM 3800 N SER B 420 14.707 77.782 64.258 1.00 41.60 N +ATOM 3801 CA SER B 420 14.077 77.832 62.946 1.00 43.13 C +ATOM 3802 C SER B 420 14.754 78.976 62.193 1.00 41.45 C +ATOM 3803 O SER B 420 14.919 78.912 60.975 1.00 41.75 O +ATOM 3804 CB SER B 420 12.558 78.045 63.055 1.00 41.00 C +ATOM 3805 OG SER B 420 12.223 79.222 63.764 1.00 52.30 O +ATOM 3806 N ASP B 421 15.164 80.016 62.921 1.00 39.77 N +ATOM 3807 CA ASP B 421 15.873 81.126 62.292 1.00 37.44 C +ATOM 3808 C ASP B 421 17.214 80.577 61.810 1.00 37.08 C +ATOM 3809 O ASP B 421 17.734 80.999 60.778 1.00 36.38 O +ATOM 3810 CB ASP B 421 16.146 82.266 63.279 1.00 39.97 C +ATOM 3811 CG ASP B 421 14.912 83.085 63.597 1.00 46.97 C +ATOM 3812 OD1 ASP B 421 13.957 83.090 62.787 1.00 47.16 O +ATOM 3813 OD2 ASP B 421 14.912 83.746 64.661 1.00 50.54 O +ATOM 3814 N VAL B 422 17.775 79.637 62.567 1.00 33.02 N +ATOM 3815 CA VAL B 422 19.054 79.035 62.198 1.00 36.44 C +ATOM 3816 C VAL B 422 18.945 78.272 60.875 1.00 38.23 C +ATOM 3817 O VAL B 422 19.888 78.250 60.083 1.00 40.47 O +ATOM 3818 CB VAL B 422 19.568 78.071 63.298 1.00 37.51 C +ATOM 3819 CG1 VAL B 422 20.818 77.337 62.812 1.00 36.35 C +ATOM 3820 CG2 VAL B 422 19.881 78.853 64.572 1.00 34.87 C +ATOM 3821 N TRP B 423 17.796 77.647 60.631 1.00 38.90 N +ATOM 3822 CA TRP B 423 17.611 76.911 59.382 1.00 37.96 C +ATOM 3823 C TRP B 423 17.557 77.922 58.248 1.00 33.76 C +ATOM 3824 O TRP B 423 18.247 77.775 57.243 1.00 33.02 O +ATOM 3825 CB TRP B 423 16.317 76.088 59.415 1.00 36.76 C +ATOM 3826 CG TRP B 423 15.986 75.416 58.106 1.00 42.85 C +ATOM 3827 CD1 TRP B 423 15.540 76.020 56.960 1.00 46.50 C +ATOM 3828 CD2 TRP B 423 16.056 74.012 57.816 1.00 38.45 C +ATOM 3829 NE1 TRP B 423 15.326 75.077 55.978 1.00 44.40 N +ATOM 3830 CE2 TRP B 423 15.633 73.838 56.477 1.00 41.58 C +ATOM 3831 CE3 TRP B 423 16.433 72.884 58.557 1.00 41.07 C +ATOM 3832 CZ2 TRP B 423 15.577 72.580 55.863 1.00 40.24 C +ATOM 3833 CZ3 TRP B 423 16.380 71.626 57.943 1.00 40.67 C +ATOM 3834 CH2 TRP B 423 15.955 71.489 56.612 1.00 41.80 C +ATOM 3835 N ALA B 424 16.734 78.950 58.427 1.00 33.67 N +ATOM 3836 CA ALA B 424 16.577 79.995 57.428 1.00 36.84 C +ATOM 3837 C ALA B 424 17.920 80.673 57.147 1.00 39.93 C +ATOM 3838 O ALA B 424 18.171 81.120 56.029 1.00 41.78 O +ATOM 3839 CB ALA B 424 15.538 81.024 57.904 1.00 35.37 C +ATOM 3840 N PHE B 425 18.785 80.743 58.157 1.00 41.75 N +ATOM 3841 CA PHE B 425 20.099 81.359 57.977 1.00 43.51 C +ATOM 3842 C PHE B 425 20.921 80.510 57.013 1.00 44.33 C +ATOM 3843 O PHE B 425 21.627 81.034 56.150 1.00 44.00 O +ATOM 3844 CB PHE B 425 20.846 81.465 59.309 1.00 41.03 C +ATOM 3845 CG PHE B 425 22.227 82.054 59.179 1.00 40.39 C +ATOM 3846 CD1 PHE B 425 22.396 83.408 58.902 1.00 41.59 C +ATOM 3847 CD2 PHE B 425 23.355 81.250 59.297 1.00 36.50 C +ATOM 3848 CE1 PHE B 425 23.675 83.954 58.742 1.00 40.99 C +ATOM 3849 CE2 PHE B 425 24.636 81.785 59.139 1.00 42.92 C +ATOM 3850 CZ PHE B 425 24.795 83.139 58.861 1.00 39.73 C +ATOM 3851 N GLY B 426 20.833 79.192 57.177 1.00 45.81 N +ATOM 3852 CA GLY B 426 21.560 78.288 56.304 1.00 40.63 C +ATOM 3853 C GLY B 426 21.194 78.540 54.852 1.00 40.02 C +ATOM 3854 O GLY B 426 22.050 78.486 53.969 1.00 40.34 O +ATOM 3855 N VAL B 427 19.918 78.812 54.598 1.00 34.79 N +ATOM 3856 CA VAL B 427 19.468 79.084 53.242 1.00 37.36 C +ATOM 3857 C VAL B 427 20.017 80.443 52.823 1.00 38.06 C +ATOM 3858 O VAL B 427 20.434 80.625 51.681 1.00 39.05 O +ATOM 3859 CB VAL B 427 17.925 79.092 53.147 1.00 39.99 C +ATOM 3860 CG1 VAL B 427 17.485 79.341 51.708 1.00 37.02 C +ATOM 3861 CG2 VAL B 427 17.371 77.764 53.631 1.00 40.07 C +ATOM 3862 N LEU B 428 20.021 81.396 53.754 1.00 39.64 N +ATOM 3863 CA LEU B 428 20.543 82.727 53.469 1.00 36.14 C +ATOM 3864 C LEU B 428 22.005 82.592 53.062 1.00 34.95 C +ATOM 3865 O LEU B 428 22.488 83.329 52.208 1.00 39.78 O +ATOM 3866 CB LEU B 428 20.410 83.634 54.698 1.00 38.86 C +ATOM 3867 CG LEU B 428 21.080 85.016 54.681 1.00 37.61 C +ATOM 3868 CD1 LEU B 428 20.808 85.753 53.380 1.00 37.71 C +ATOM 3869 CD2 LEU B 428 20.552 85.825 55.855 1.00 41.60 C +ATOM 3870 N LEU B 429 22.701 81.641 53.676 1.00 35.82 N +ATOM 3871 CA LEU B 429 24.100 81.384 53.359 1.00 38.01 C +ATOM 3872 C LEU B 429 24.203 80.876 51.930 1.00 42.21 C +ATOM 3873 O LEU B 429 25.123 81.235 51.189 1.00 41.90 O +ATOM 3874 CB LEU B 429 24.682 80.326 54.294 1.00 38.19 C +ATOM 3875 CG LEU B 429 25.458 80.788 55.523 1.00 41.65 C +ATOM 3876 CD1 LEU B 429 26.068 79.571 56.206 1.00 43.36 C +ATOM 3877 CD2 LEU B 429 26.555 81.767 55.104 1.00 43.09 C +ATOM 3878 N TRP B 430 23.254 80.025 51.552 1.00 41.28 N +ATOM 3879 CA TRP B 430 23.227 79.465 50.211 1.00 42.13 C +ATOM 3880 C TRP B 430 22.981 80.587 49.197 1.00 44.07 C +ATOM 3881 O TRP B 430 23.538 80.581 48.100 1.00 45.20 O +ATOM 3882 CB TRP B 430 22.125 78.418 50.111 1.00 43.08 C +ATOM 3883 CG TRP B 430 22.156 77.657 48.835 1.00 49.45 C +ATOM 3884 CD1 TRP B 430 22.866 76.520 48.570 1.00 47.92 C +ATOM 3885 CD2 TRP B 430 21.468 77.992 47.628 1.00 49.72 C +ATOM 3886 NE1 TRP B 430 22.662 76.127 47.271 1.00 48.22 N +ATOM 3887 CE2 TRP B 430 21.807 77.013 46.669 1.00 50.02 C +ATOM 3888 CE3 TRP B 430 20.597 79.028 47.261 1.00 49.58 C +ATOM 3889 CZ2 TRP B 430 21.304 77.037 45.365 1.00 48.11 C +ATOM 3890 CZ3 TRP B 430 20.098 79.052 45.966 1.00 52.83 C +ATOM 3891 CH2 TRP B 430 20.455 78.060 45.033 1.00 49.33 C +ATOM 3892 N GLU B 431 22.147 81.551 49.575 1.00 43.13 N +ATOM 3893 CA GLU B 431 21.842 82.683 48.708 1.00 46.13 C +ATOM 3894 C GLU B 431 23.085 83.529 48.457 1.00 47.35 C +ATOM 3895 O GLU B 431 23.356 83.929 47.326 1.00 52.17 O +ATOM 3896 CB GLU B 431 20.781 83.587 49.334 1.00 42.28 C +ATOM 3897 CG GLU B 431 19.443 82.951 49.615 1.00 42.51 C +ATOM 3898 CD GLU B 431 18.411 83.993 50.017 1.00 43.26 C +ATOM 3899 OE1 GLU B 431 18.001 84.785 49.142 1.00 42.72 O +ATOM 3900 OE2 GLU B 431 18.023 84.037 51.207 1.00 40.21 O +ATOM 3901 N ILE B 432 23.825 83.819 49.522 1.00 45.89 N +ATOM 3902 CA ILE B 432 25.032 84.627 49.412 1.00 43.12 C +ATOM 3903 C ILE B 432 26.083 83.903 48.574 1.00 45.83 C +ATOM 3904 O ILE B 432 26.733 84.504 47.716 1.00 46.60 O +ATOM 3905 CB ILE B 432 25.605 84.956 50.815 1.00 42.29 C +ATOM 3906 CG1 ILE B 432 24.607 85.839 51.581 1.00 41.69 C +ATOM 3907 CG2 ILE B 432 26.968 85.648 50.686 1.00 37.88 C +ATOM 3908 CD1 ILE B 432 25.041 86.197 53.007 1.00 38.55 C +ATOM 3909 N ALA B 433 26.237 82.607 48.819 1.00 47.49 N +ATOM 3910 CA ALA B 433 27.200 81.802 48.083 1.00 46.38 C +ATOM 3911 C ALA B 433 26.891 81.796 46.591 1.00 46.90 C +ATOM 3912 O ALA B 433 27.804 81.747 45.769 1.00 47.19 O +ATOM 3913 CB ALA B 433 27.202 80.371 48.615 1.00 45.44 C +ATOM 3914 N THR B 434 25.607 81.863 46.243 1.00 43.96 N +ATOM 3915 CA THR B 434 25.201 81.833 44.839 1.00 43.74 C +ATOM 3916 C THR B 434 24.974 83.204 44.218 1.00 44.33 C +ATOM 3917 O THR B 434 24.612 83.302 43.046 1.00 44.15 O +ATOM 3918 CB THR B 434 23.901 81.020 44.649 1.00 46.56 C +ATOM 3919 OG1 THR B 434 22.815 81.699 45.294 1.00 44.62 O +ATOM 3920 CG2 THR B 434 24.048 79.624 45.241 1.00 42.53 C +ATOM 3921 N TYR B 435 25.179 84.259 45.000 1.00 42.75 N +ATOM 3922 CA TYR B 435 24.975 85.618 44.518 1.00 41.36 C +ATOM 3923 C TYR B 435 23.514 85.931 44.217 1.00 41.88 C +ATOM 3924 O TYR B 435 23.209 86.592 43.224 1.00 42.26 O +ATOM 3925 CB TYR B 435 25.827 85.881 43.270 1.00 41.53 C +ATOM 3926 CG TYR B 435 27.297 86.077 43.569 1.00 40.59 C +ATOM 3927 CD1 TYR B 435 27.784 87.313 44.010 1.00 39.66 C +ATOM 3928 CD2 TYR B 435 28.195 85.023 43.442 1.00 39.60 C +ATOM 3929 CE1 TYR B 435 29.132 87.489 44.315 1.00 35.84 C +ATOM 3930 CE2 TYR B 435 29.546 85.184 43.751 1.00 40.26 C +ATOM 3931 CZ TYR B 435 30.005 86.418 44.188 1.00 39.80 C +ATOM 3932 OH TYR B 435 31.328 86.569 44.523 1.00 41.31 O +ATOM 3933 N GLY B 436 22.609 85.444 45.062 1.00 42.17 N +ATOM 3934 CA GLY B 436 21.198 85.745 44.870 1.00 40.66 C +ATOM 3935 C GLY B 436 20.298 84.772 44.127 1.00 43.38 C +ATOM 3936 O GLY B 436 19.208 85.157 43.697 1.00 43.79 O +ATOM 3937 N MET B 437 20.722 83.524 43.965 1.00 42.83 N +ATOM 3938 CA MET B 437 19.885 82.549 43.273 1.00 49.56 C +ATOM 3939 C MET B 437 18.720 82.117 44.150 1.00 50.64 C +ATOM 3940 O MET B 437 18.804 82.156 45.373 1.00 51.38 O +ATOM 3941 CB MET B 437 20.692 81.308 42.884 1.00 54.72 C +ATOM 3942 CG MET B 437 21.568 81.470 41.655 1.00 61.08 C +ATOM 3943 SD MET B 437 22.231 79.874 41.117 1.00 72.83 S +ATOM 3944 CE MET B 437 20.785 79.169 40.303 1.00 70.56 C +ATOM 3945 N SER B 438 17.631 81.702 43.518 1.00 53.01 N +ATOM 3946 CA SER B 438 16.461 81.241 44.249 1.00 54.54 C +ATOM 3947 C SER B 438 16.759 79.850 44.800 1.00 54.75 C +ATOM 3948 O SER B 438 17.398 79.038 44.131 1.00 57.07 O +ATOM 3949 CB SER B 438 15.257 81.183 43.315 1.00 57.64 C +ATOM 3950 OG SER B 438 15.042 82.442 42.709 1.00 62.90 O +ATOM 3951 N PRO B 439 16.310 79.560 46.033 1.00 53.51 N +ATOM 3952 CA PRO B 439 16.521 78.265 46.692 1.00 50.55 C +ATOM 3953 C PRO B 439 15.781 77.130 45.980 1.00 51.54 C +ATOM 3954 O PRO B 439 14.718 77.347 45.399 1.00 49.77 O +ATOM 3955 CB PRO B 439 15.971 78.498 48.096 1.00 53.99 C +ATOM 3956 CG PRO B 439 16.103 79.972 48.288 1.00 56.68 C +ATOM 3957 CD PRO B 439 15.669 80.508 46.956 1.00 53.67 C +ATOM 3958 N TYR B 440 16.337 75.923 46.048 1.00 50.39 N +ATOM 3959 CA TYR B 440 15.742 74.752 45.404 1.00 52.12 C +ATOM 3960 C TYR B 440 15.229 75.127 44.016 1.00 50.82 C +ATOM 3961 O TYR B 440 14.044 74.994 43.720 1.00 52.03 O +ATOM 3962 CB TYR B 440 14.592 74.200 46.252 1.00 52.34 C +ATOM 3963 CG TYR B 440 14.980 73.904 47.682 1.00 51.44 C +ATOM 3964 CD1 TYR B 440 14.850 74.874 48.676 1.00 49.67 C +ATOM 3965 CD2 TYR B 440 15.516 72.666 48.035 1.00 53.25 C +ATOM 3966 CE1 TYR B 440 15.247 74.618 49.989 1.00 49.90 C +ATOM 3967 CE2 TYR B 440 15.917 72.399 49.342 1.00 51.16 C +ATOM 3968 CZ TYR B 440 15.780 73.381 50.314 1.00 50.26 C +ATOM 3969 OH TYR B 440 16.180 73.125 51.605 1.00 48.52 O +ATOM 3970 N PRO B 441 16.128 75.607 43.147 1.00 50.72 N +ATOM 3971 CA PRO B 441 15.750 76.005 41.791 1.00 50.56 C +ATOM 3972 C PRO B 441 15.180 74.865 40.953 1.00 51.83 C +ATOM 3973 O PRO B 441 15.832 73.836 40.748 1.00 51.92 O +ATOM 3974 CB PRO B 441 17.054 76.567 41.225 1.00 51.16 C +ATOM 3975 CG PRO B 441 18.102 75.764 41.935 1.00 50.37 C +ATOM 3976 CD PRO B 441 17.586 75.716 43.346 1.00 48.25 C +ATOM 3977 N GLY B 442 13.952 75.057 40.483 1.00 50.46 N +ATOM 3978 CA GLY B 442 13.300 74.055 39.664 1.00 50.72 C +ATOM 3979 C GLY B 442 12.395 73.127 40.446 1.00 50.92 C +ATOM 3980 O GLY B 442 11.463 72.550 39.887 1.00 49.75 O +ATOM 3981 N ILE B 443 12.661 72.980 41.739 1.00 51.89 N +ATOM 3982 CA ILE B 443 11.852 72.102 42.577 1.00 51.76 C +ATOM 3983 C ILE B 443 10.549 72.776 42.979 1.00 54.37 C +ATOM 3984 O ILE B 443 10.544 73.918 43.439 1.00 56.52 O +ATOM 3985 CB ILE B 443 12.611 71.694 43.842 1.00 48.10 C +ATOM 3986 CG1 ILE B 443 13.966 71.104 43.455 1.00 47.84 C +ATOM 3987 CG2 ILE B 443 11.791 70.687 44.632 1.00 47.19 C +ATOM 3988 CD1 ILE B 443 14.825 70.713 44.632 1.00 50.74 C +ATOM 3989 N ASP B 444 9.445 72.059 42.816 1.00 59.51 N +ATOM 3990 CA ASP B 444 8.138 72.602 43.149 1.00 63.91 C +ATOM 3991 C ASP B 444 7.838 72.575 44.648 1.00 63.76 C +ATOM 3992 O ASP B 444 8.008 71.556 45.319 1.00 61.45 O +ATOM 3993 CB ASP B 444 7.053 71.858 42.362 1.00 73.09 C +ATOM 3994 CG ASP B 444 7.310 71.878 40.857 1.00 81.69 C +ATOM 3995 OD1 ASP B 444 7.885 72.874 40.363 1.00 84.47 O +ATOM 3996 OD2 ASP B 444 6.928 70.907 40.167 1.00 86.76 O +ATOM 3997 N LEU B 445 7.388 73.719 45.155 1.00 61.63 N +ATOM 3998 CA LEU B 445 7.066 73.904 46.565 1.00 63.08 C +ATOM 3999 C LEU B 445 6.351 72.732 47.235 1.00 61.27 C +ATOM 4000 O LEU B 445 6.596 72.436 48.405 1.00 62.08 O +ATOM 4001 CB LEU B 445 6.226 75.172 46.733 1.00 61.68 C +ATOM 4002 CG LEU B 445 6.836 76.465 46.185 1.00 64.84 C +ATOM 4003 CD1 LEU B 445 5.871 77.615 46.420 1.00 66.55 C +ATOM 4004 CD2 LEU B 445 8.166 76.746 46.860 1.00 63.83 C +ATOM 4005 N SER B 446 5.474 72.064 46.498 1.00 60.76 N +ATOM 4006 CA SER B 446 4.720 70.941 47.048 1.00 59.35 C +ATOM 4007 C SER B 446 5.580 69.737 47.437 1.00 57.35 C +ATOM 4008 O SER B 446 5.134 68.873 48.189 1.00 57.70 O +ATOM 4009 CB SER B 446 3.655 70.492 46.046 1.00 58.49 C +ATOM 4010 OG SER B 446 4.253 70.048 44.839 1.00 59.86 O +ATOM 4011 N GLN B 447 6.807 69.680 46.929 1.00 54.81 N +ATOM 4012 CA GLN B 447 7.703 68.559 47.219 1.00 55.48 C +ATOM 4013 C GLN B 447 8.768 68.867 48.271 1.00 54.12 C +ATOM 4014 O GLN B 447 9.441 67.963 48.770 1.00 52.37 O +ATOM 4015 CB GLN B 447 8.393 68.107 45.928 1.00 53.95 C +ATOM 4016 CG GLN B 447 7.429 67.689 44.837 1.00 55.14 C +ATOM 4017 CD GLN B 447 6.638 66.459 45.218 1.00 53.26 C +ATOM 4018 OE1 GLN B 447 7.187 65.364 45.316 1.00 57.08 O +ATOM 4019 NE2 GLN B 447 5.342 66.634 45.445 1.00 52.00 N +ATOM 4020 N VAL B 448 8.915 70.143 48.606 1.00 55.02 N +ATOM 4021 CA VAL B 448 9.916 70.576 49.575 1.00 51.09 C +ATOM 4022 C VAL B 448 9.948 69.794 50.888 1.00 50.08 C +ATOM 4023 O VAL B 448 10.990 69.251 51.262 1.00 48.91 O +ATOM 4024 CB VAL B 448 9.751 72.074 49.888 1.00 51.50 C +ATOM 4025 CG1 VAL B 448 10.746 72.501 50.951 1.00 50.05 C +ATOM 4026 CG2 VAL B 448 9.951 72.885 48.613 1.00 49.00 C +ATOM 4027 N TYR B 449 8.823 69.728 51.591 1.00 49.33 N +ATOM 4028 CA TYR B 449 8.805 69.016 52.864 1.00 50.76 C +ATOM 4029 C TYR B 449 9.240 67.560 52.751 1.00 50.84 C +ATOM 4030 O TYR B 449 10.174 67.135 53.430 1.00 49.36 O +ATOM 4031 CB TYR B 449 7.419 69.061 53.516 1.00 48.45 C +ATOM 4032 CG TYR B 449 7.443 68.536 54.938 1.00 46.80 C +ATOM 4033 CD1 TYR B 449 7.856 69.350 55.993 1.00 43.28 C +ATOM 4034 CD2 TYR B 449 7.117 67.207 55.221 1.00 44.43 C +ATOM 4035 CE1 TYR B 449 7.948 68.857 57.294 1.00 46.67 C +ATOM 4036 CE2 TYR B 449 7.209 66.702 56.520 1.00 44.35 C +ATOM 4037 CZ TYR B 449 7.626 67.533 57.550 1.00 48.41 C +ATOM 4038 OH TYR B 449 7.740 67.039 58.831 1.00 47.72 O +ATOM 4039 N GLU B 450 8.559 66.796 51.899 1.00 52.40 N +ATOM 4040 CA GLU B 450 8.876 65.380 51.730 1.00 50.03 C +ATOM 4041 C GLU B 450 10.320 65.148 51.315 1.00 48.46 C +ATOM 4042 O GLU B 450 10.973 64.232 51.812 1.00 51.56 O +ATOM 4043 CB GLU B 450 7.931 64.738 50.710 1.00 55.87 C +ATOM 4044 CG GLU B 450 8.166 63.250 50.515 1.00 57.71 C +ATOM 4045 CD GLU B 450 7.112 62.603 49.646 1.00 61.16 C +ATOM 4046 OE1 GLU B 450 6.783 63.175 48.584 1.00 64.81 O +ATOM 4047 OE2 GLU B 450 6.617 61.520 50.021 1.00 63.15 O +ATOM 4048 N LEU B 451 10.823 65.970 50.402 1.00 46.85 N +ATOM 4049 CA LEU B 451 12.207 65.827 49.970 1.00 44.16 C +ATOM 4050 C LEU B 451 13.117 66.004 51.182 1.00 45.64 C +ATOM 4051 O LEU B 451 14.005 65.188 51.428 1.00 45.62 O +ATOM 4052 CB LEU B 451 12.546 66.870 48.905 1.00 43.01 C +ATOM 4053 CG LEU B 451 11.963 66.656 47.508 1.00 43.47 C +ATOM 4054 CD1 LEU B 451 12.209 67.888 46.656 1.00 44.92 C +ATOM 4055 CD2 LEU B 451 12.608 65.432 46.864 1.00 46.65 C +ATOM 4056 N LEU B 452 12.886 67.071 51.944 1.00 46.52 N +ATOM 4057 CA LEU B 452 13.685 67.337 53.136 1.00 47.63 C +ATOM 4058 C LEU B 452 13.528 66.193 54.140 1.00 49.06 C +ATOM 4059 O LEU B 452 14.483 65.811 54.818 1.00 47.18 O +ATOM 4060 CB LEU B 452 13.256 68.659 53.784 1.00 47.13 C +ATOM 4061 CG LEU B 452 13.564 69.953 53.021 1.00 45.08 C +ATOM 4062 CD1 LEU B 452 13.007 71.139 53.788 1.00 43.06 C +ATOM 4063 CD2 LEU B 452 15.065 70.096 52.831 1.00 43.74 C +ATOM 4064 N GLU B 453 12.316 65.651 54.224 1.00 51.09 N +ATOM 4065 CA GLU B 453 12.022 64.552 55.136 1.00 53.61 C +ATOM 4066 C GLU B 453 12.854 63.326 54.775 1.00 52.75 C +ATOM 4067 O GLU B 453 13.283 62.580 55.652 1.00 52.83 O +ATOM 4068 CB GLU B 453 10.530 64.210 55.077 1.00 58.18 C +ATOM 4069 CG GLU B 453 10.101 63.090 56.013 1.00 64.73 C +ATOM 4070 CD GLU B 453 8.587 62.945 56.098 1.00 69.01 C +ATOM 4071 OE1 GLU B 453 7.947 62.691 55.053 1.00 65.85 O +ATOM 4072 OE2 GLU B 453 8.041 63.089 57.215 1.00 69.82 O +ATOM 4073 N LYS B 454 13.082 63.126 53.481 1.00 52.62 N +ATOM 4074 CA LYS B 454 13.875 61.996 53.012 1.00 51.51 C +ATOM 4075 C LYS B 454 15.343 62.393 52.814 1.00 50.97 C +ATOM 4076 O LYS B 454 16.053 61.842 51.968 1.00 50.09 O +ATOM 4077 CB LYS B 454 13.283 61.437 51.714 1.00 51.70 C +ATOM 4078 CG LYS B 454 11.899 60.816 51.898 1.00 51.40 C +ATOM 4079 CD LYS B 454 11.296 60.410 50.567 1.00 48.77 C +ATOM 4080 CE LYS B 454 9.824 60.065 50.706 1.00 49.44 C +ATOM 4081 NZ LYS B 454 9.592 58.918 51.617 1.00 46.72 N +ATOM 4082 N ASP B 455 15.778 63.362 53.612 1.00 49.06 N +ATOM 4083 CA ASP B 455 17.151 63.852 53.607 1.00 45.55 C +ATOM 4084 C ASP B 455 17.678 64.595 52.391 1.00 45.48 C +ATOM 4085 O ASP B 455 18.889 64.640 52.186 1.00 45.98 O +ATOM 4086 CB ASP B 455 18.119 62.715 53.934 1.00 48.09 C +ATOM 4087 CG ASP B 455 17.925 62.173 55.334 1.00 54.91 C +ATOM 4088 OD1 ASP B 455 17.612 62.973 56.243 1.00 59.31 O +ATOM 4089 OD2 ASP B 455 18.097 60.951 55.532 1.00 57.71 O +ATOM 4090 N TYR B 456 16.805 65.175 51.576 1.00 43.02 N +ATOM 4091 CA TYR B 456 17.310 65.931 50.437 1.00 44.87 C +ATOM 4092 C TYR B 456 17.773 67.294 50.950 1.00 42.99 C +ATOM 4093 O TYR B 456 17.097 67.913 51.774 1.00 41.44 O +ATOM 4094 CB TYR B 456 16.229 66.150 49.377 1.00 45.59 C +ATOM 4095 CG TYR B 456 16.747 66.913 48.175 1.00 47.10 C +ATOM 4096 CD1 TYR B 456 17.454 66.262 47.163 1.00 46.32 C +ATOM 4097 CD2 TYR B 456 16.578 68.295 48.074 1.00 46.82 C +ATOM 4098 CE1 TYR B 456 17.980 66.965 46.082 1.00 48.04 C +ATOM 4099 CE2 TYR B 456 17.101 69.008 47.002 1.00 48.78 C +ATOM 4100 CZ TYR B 456 17.802 68.339 46.007 1.00 51.72 C +ATOM 4101 OH TYR B 456 18.334 69.044 44.941 1.00 50.92 O +ATOM 4102 N ARG B 457 18.922 67.756 50.470 1.00 44.74 N +ATOM 4103 CA ARG B 457 19.452 69.059 50.873 1.00 48.44 C +ATOM 4104 C ARG B 457 20.146 69.700 49.677 1.00 49.91 C +ATOM 4105 O ARG B 457 20.821 69.013 48.911 1.00 48.57 O +ATOM 4106 CB ARG B 457 20.459 68.908 52.024 1.00 47.10 C +ATOM 4107 CG ARG B 457 19.874 68.392 53.340 1.00 47.75 C +ATOM 4108 CD ARG B 457 18.959 69.418 53.998 1.00 43.45 C +ATOM 4109 NE ARG B 457 18.473 68.964 55.300 1.00 43.61 N +ATOM 4110 CZ ARG B 457 17.574 68.000 55.482 1.00 44.65 C +ATOM 4111 NH1 ARG B 457 17.042 67.371 54.441 1.00 42.47 N +ATOM 4112 NH2 ARG B 457 17.206 67.664 56.712 1.00 39.59 N +ATOM 4113 N MET B 458 19.984 71.012 49.515 1.00 52.55 N +ATOM 4114 CA MET B 458 20.621 71.709 48.402 1.00 52.62 C +ATOM 4115 C MET B 458 22.101 71.376 48.363 1.00 53.40 C +ATOM 4116 O MET B 458 22.749 71.239 49.403 1.00 51.42 O +ATOM 4117 CB MET B 458 20.447 73.222 48.521 1.00 54.31 C +ATOM 4118 CG MET B 458 19.024 73.706 48.310 1.00 57.78 C +ATOM 4119 SD MET B 458 18.940 75.500 48.150 1.00 56.57 S +ATOM 4120 CE MET B 458 18.845 76.000 49.890 1.00 52.75 C +ATOM 4121 N GLU B 459 22.629 71.249 47.152 1.00 55.65 N +ATOM 4122 CA GLU B 459 24.031 70.916 46.945 1.00 60.44 C +ATOM 4123 C GLU B 459 24.965 72.116 47.117 1.00 59.59 C +ATOM 4124 O GLU B 459 24.542 73.270 47.029 1.00 59.19 O +ATOM 4125 CB GLU B 459 24.199 70.313 45.550 1.00 63.06 C +ATOM 4126 CG GLU B 459 23.673 71.202 44.443 1.00 68.77 C +ATOM 4127 CD GLU B 459 23.502 70.462 43.135 1.00 74.42 C +ATOM 4128 OE1 GLU B 459 24.476 69.824 42.680 1.00 74.07 O +ATOM 4129 OE2 GLU B 459 22.391 70.522 42.562 1.00 77.45 O +ATOM 4130 N ARG B 460 26.239 71.832 47.363 1.00 58.53 N +ATOM 4131 CA ARG B 460 27.236 72.879 47.543 1.00 60.76 C +ATOM 4132 C ARG B 460 27.376 73.732 46.284 1.00 61.64 C +ATOM 4133 O ARG B 460 27.797 73.243 45.234 1.00 60.26 O +ATOM 4134 CB ARG B 460 28.587 72.257 47.900 1.00 61.01 C +ATOM 4135 CG ARG B 460 29.688 73.270 48.165 1.00 66.21 C +ATOM 4136 CD ARG B 460 30.880 72.626 48.864 1.00 67.22 C +ATOM 4137 NE ARG B 460 31.666 71.778 47.975 1.00 70.59 N +ATOM 4138 CZ ARG B 460 32.444 72.239 47.002 1.00 70.04 C +ATOM 4139 NH1 ARG B 460 32.544 73.543 46.791 1.00 71.64 N +ATOM 4140 NH2 ARG B 460 33.123 71.395 46.239 1.00 73.02 N +ATOM 4141 N PRO B 461 27.015 75.023 46.373 1.00 62.36 N +ATOM 4142 CA PRO B 461 27.112 75.930 45.226 1.00 62.62 C +ATOM 4143 C PRO B 461 28.536 75.995 44.683 1.00 64.00 C +ATOM 4144 O PRO B 461 29.503 75.825 45.425 1.00 61.66 O +ATOM 4145 CB PRO B 461 26.658 77.267 45.804 1.00 62.56 C +ATOM 4146 CG PRO B 461 25.681 76.858 46.859 1.00 60.45 C +ATOM 4147 CD PRO B 461 26.394 75.705 47.523 1.00 61.10 C +ATOM 4148 N GLU B 462 28.656 76.240 43.384 1.00 66.71 N +ATOM 4149 CA GLU B 462 29.959 76.329 42.740 1.00 70.91 C +ATOM 4150 C GLU B 462 30.786 77.441 43.382 1.00 68.63 C +ATOM 4151 O GLU B 462 30.293 78.548 43.600 1.00 67.85 O +ATOM 4152 CB GLU B 462 29.781 76.606 41.243 1.00 73.76 C +ATOM 4153 CG GLU B 462 31.054 76.487 40.418 1.00 83.52 C +ATOM 4154 CD GLU B 462 31.594 75.065 40.362 1.00 88.99 C +ATOM 4155 OE1 GLU B 462 30.947 74.149 40.917 1.00 90.90 O +ATOM 4156 OE2 GLU B 462 32.669 74.861 39.757 1.00 91.99 O +ATOM 4157 N GLY B 463 32.039 77.133 43.702 1.00 68.97 N +ATOM 4158 CA GLY B 463 32.917 78.120 44.307 1.00 68.10 C +ATOM 4159 C GLY B 463 32.741 78.341 45.799 1.00 67.27 C +ATOM 4160 O GLY B 463 33.477 79.124 46.401 1.00 67.64 O +ATOM 4161 N CYS B 464 31.771 77.663 46.403 1.00 67.65 N +ATOM 4162 CA CYS B 464 31.529 77.806 47.835 1.00 64.80 C +ATOM 4163 C CYS B 464 32.488 76.925 48.624 1.00 63.63 C +ATOM 4164 O CYS B 464 32.559 75.719 48.400 1.00 65.40 O +ATOM 4165 CB CYS B 464 30.089 77.422 48.174 1.00 64.16 C +ATOM 4166 SG CYS B 464 29.715 77.472 49.941 1.00 62.67 S +ATOM 4167 N PRO B 465 33.243 77.517 49.560 1.00 63.38 N +ATOM 4168 CA PRO B 465 34.192 76.740 50.362 1.00 64.99 C +ATOM 4169 C PRO B 465 33.514 75.687 51.240 1.00 67.30 C +ATOM 4170 O PRO B 465 32.495 75.957 51.877 1.00 67.63 O +ATOM 4171 CB PRO B 465 34.918 77.813 51.172 1.00 63.51 C +ATOM 4172 CG PRO B 465 33.892 78.889 51.305 1.00 64.46 C +ATOM 4173 CD PRO B 465 33.277 78.941 49.935 1.00 61.91 C +ATOM 4174 N GLU B 466 34.094 74.489 51.262 1.00 67.98 N +ATOM 4175 CA GLU B 466 33.565 73.370 52.039 1.00 69.95 C +ATOM 4176 C GLU B 466 33.181 73.771 53.458 1.00 68.32 C +ATOM 4177 O GLU B 466 32.091 73.448 53.933 1.00 67.99 O +ATOM 4178 CB GLU B 466 34.599 72.247 52.115 1.00 74.09 C +ATOM 4179 CG GLU B 466 35.258 71.899 50.795 1.00 80.47 C +ATOM 4180 CD GLU B 466 36.253 70.760 50.933 1.00 86.17 C +ATOM 4181 OE1 GLU B 466 37.011 70.750 51.927 1.00 88.80 O +ATOM 4182 OE2 GLU B 466 36.284 69.882 50.045 1.00 87.25 O +ATOM 4183 N LYS B 467 34.092 74.468 54.128 1.00 66.60 N +ATOM 4184 CA LYS B 467 33.882 74.914 55.500 1.00 64.62 C +ATOM 4185 C LYS B 467 32.552 75.654 55.663 1.00 59.46 C +ATOM 4186 O LYS B 467 31.893 75.547 56.696 1.00 55.68 O +ATOM 4187 CB LYS B 467 35.042 75.819 55.929 1.00 69.56 C +ATOM 4188 CG LYS B 467 36.040 75.172 56.881 1.00 73.43 C +ATOM 4189 CD LYS B 467 37.150 76.141 57.263 1.00 78.43 C +ATOM 4190 CE LYS B 467 37.153 76.421 58.760 1.00 79.51 C +ATOM 4191 NZ LYS B 467 38.031 77.576 59.120 1.00 82.50 N +ATOM 4192 N VAL B 468 32.157 76.401 54.638 1.00 56.21 N +ATOM 4193 CA VAL B 468 30.906 77.149 54.689 1.00 51.50 C +ATOM 4194 C VAL B 468 29.708 76.243 54.406 1.00 50.52 C +ATOM 4195 O VAL B 468 28.657 76.383 55.037 1.00 46.87 O +ATOM 4196 CB VAL B 468 30.917 78.312 53.681 1.00 49.90 C +ATOM 4197 CG1 VAL B 468 29.613 79.086 53.759 1.00 48.66 C +ATOM 4198 CG2 VAL B 468 32.095 79.229 53.972 1.00 49.70 C +ATOM 4199 N TYR B 469 29.871 75.313 53.467 1.00 48.05 N +ATOM 4200 CA TYR B 469 28.797 74.383 53.123 1.00 50.90 C +ATOM 4201 C TYR B 469 28.498 73.492 54.327 1.00 51.34 C +ATOM 4202 O TYR B 469 27.338 73.208 54.630 1.00 48.97 O +ATOM 4203 CB TYR B 469 29.194 73.514 51.926 1.00 51.04 C +ATOM 4204 CG TYR B 469 28.100 72.572 51.469 1.00 51.87 C +ATOM 4205 CD1 TYR B 469 26.877 73.064 51.012 1.00 51.30 C +ATOM 4206 CD2 TYR B 469 28.282 71.190 51.503 1.00 53.00 C +ATOM 4207 CE1 TYR B 469 25.859 72.203 50.600 1.00 51.40 C +ATOM 4208 CE2 TYR B 469 27.269 70.317 51.094 1.00 51.54 C +ATOM 4209 CZ TYR B 469 26.062 70.831 50.644 1.00 51.96 C +ATOM 4210 OH TYR B 469 25.059 69.978 50.243 1.00 50.44 O +ATOM 4211 N GLU B 470 29.554 73.058 55.009 1.00 52.64 N +ATOM 4212 CA GLU B 470 29.419 72.222 56.194 1.00 55.84 C +ATOM 4213 C GLU B 470 28.551 72.940 57.220 1.00 55.96 C +ATOM 4214 O GLU B 470 27.690 72.337 57.855 1.00 57.50 O +ATOM 4215 CB GLU B 470 30.792 71.950 56.806 1.00 60.62 C +ATOM 4216 CG GLU B 470 31.671 71.009 56.005 1.00 68.53 C +ATOM 4217 CD GLU B 470 33.121 71.048 56.458 1.00 74.86 C +ATOM 4218 OE1 GLU B 470 33.360 71.125 57.683 1.00 78.48 O +ATOM 4219 OE2 GLU B 470 34.020 70.992 55.589 1.00 77.84 O +ATOM 4220 N LEU B 471 28.794 74.235 57.379 1.00 55.69 N +ATOM 4221 CA LEU B 471 28.047 75.055 58.324 1.00 53.89 C +ATOM 4222 C LEU B 471 26.609 75.155 57.829 1.00 50.22 C +ATOM 4223 O LEU B 471 25.658 75.213 58.610 1.00 47.81 O +ATOM 4224 CB LEU B 471 28.672 76.449 58.397 1.00 56.51 C +ATOM 4225 CG LEU B 471 28.331 77.336 59.591 1.00 56.96 C +ATOM 4226 CD1 LEU B 471 28.864 76.698 60.867 1.00 60.07 C +ATOM 4227 CD2 LEU B 471 28.949 78.708 59.388 1.00 58.28 C +ATOM 4228 N MET B 472 26.472 75.169 56.511 1.00 49.58 N +ATOM 4229 CA MET B 472 25.177 75.249 55.856 1.00 48.54 C +ATOM 4230 C MET B 472 24.386 73.976 56.171 1.00 48.08 C +ATOM 4231 O MET B 472 23.217 74.034 56.551 1.00 49.20 O +ATOM 4232 CB MET B 472 25.386 75.374 54.343 1.00 52.40 C +ATOM 4233 CG MET B 472 24.412 76.284 53.626 1.00 54.97 C +ATOM 4234 SD MET B 472 24.735 76.325 51.855 1.00 55.91 S +ATOM 4235 CE MET B 472 26.023 77.531 51.761 1.00 52.49 C +ATOM 4236 N ARG B 473 25.038 72.827 56.019 1.00 45.44 N +ATOM 4237 CA ARG B 473 24.397 71.544 56.280 1.00 47.10 C +ATOM 4238 C ARG B 473 24.023 71.404 57.752 1.00 47.76 C +ATOM 4239 O ARG B 473 23.009 70.784 58.088 1.00 45.69 O +ATOM 4240 CB ARG B 473 25.324 70.393 55.871 1.00 48.79 C +ATOM 4241 CG ARG B 473 25.638 70.334 54.381 1.00 49.69 C +ATOM 4242 CD ARG B 473 24.361 70.198 53.562 1.00 58.18 C +ATOM 4243 NE ARG B 473 23.632 68.972 53.880 1.00 61.09 N +ATOM 4244 CZ ARG B 473 24.031 67.750 53.539 1.00 62.66 C +ATOM 4245 NH1 ARG B 473 25.158 67.580 52.858 1.00 61.92 N +ATOM 4246 NH2 ARG B 473 23.309 66.694 53.890 1.00 61.82 N +ATOM 4247 N ALA B 474 24.843 71.983 58.626 1.00 43.97 N +ATOM 4248 CA ALA B 474 24.597 71.917 60.062 1.00 43.91 C +ATOM 4249 C ALA B 474 23.336 72.688 60.422 1.00 42.71 C +ATOM 4250 O ALA B 474 22.599 72.302 61.330 1.00 44.78 O +ATOM 4251 CB ALA B 474 25.790 72.476 60.824 1.00 41.55 C +ATOM 4252 N CYS B 475 23.096 73.782 59.704 1.00 43.40 N +ATOM 4253 CA CYS B 475 21.916 74.613 59.929 1.00 40.35 C +ATOM 4254 C CYS B 475 20.679 73.882 59.440 1.00 42.22 C +ATOM 4255 O CYS B 475 19.559 74.203 59.840 1.00 41.69 O +ATOM 4256 CB CYS B 475 22.037 75.935 59.165 1.00 40.68 C +ATOM 4257 SG CYS B 475 23.302 77.068 59.791 1.00 44.56 S +ATOM 4258 N TRP B 476 20.889 72.895 58.572 1.00 41.78 N +ATOM 4259 CA TRP B 476 19.784 72.145 58.003 1.00 46.21 C +ATOM 4260 C TRP B 476 19.530 70.778 58.621 1.00 47.89 C +ATOM 4261 O TRP B 476 18.956 69.905 57.973 1.00 47.70 O +ATOM 4262 CB TRP B 476 19.976 71.996 56.490 1.00 45.04 C +ATOM 4263 CG TRP B 476 19.950 73.305 55.743 1.00 48.16 C +ATOM 4264 CD1 TRP B 476 19.223 74.420 56.062 1.00 45.92 C +ATOM 4265 CD2 TRP B 476 20.653 73.619 54.535 1.00 48.09 C +ATOM 4266 NE1 TRP B 476 19.432 75.405 55.129 1.00 43.64 N +ATOM 4267 CE2 TRP B 476 20.304 74.941 54.180 1.00 45.18 C +ATOM 4268 CE3 TRP B 476 21.545 72.910 53.717 1.00 51.29 C +ATOM 4269 CZ2 TRP B 476 20.815 75.573 53.041 1.00 47.44 C +ATOM 4270 CZ3 TRP B 476 22.056 73.540 52.582 1.00 52.81 C +ATOM 4271 CH2 TRP B 476 21.687 74.859 52.256 1.00 52.08 C +ATOM 4272 N GLN B 477 19.953 70.586 59.867 1.00 47.92 N +ATOM 4273 CA GLN B 477 19.720 69.314 60.541 1.00 47.97 C +ATOM 4274 C GLN B 477 18.220 69.201 60.774 1.00 48.21 C +ATOM 4275 O GLN B 477 17.566 70.180 61.134 1.00 50.67 O +ATOM 4276 CB GLN B 477 20.466 69.256 61.877 1.00 46.98 C +ATOM 4277 CG GLN B 477 21.973 69.243 61.733 1.00 54.60 C +ATOM 4278 CD GLN B 477 22.465 68.040 60.949 1.00 59.08 C +ATOM 4279 OE1 GLN B 477 22.330 66.902 61.394 1.00 60.66 O +ATOM 4280 NE2 GLN B 477 23.030 68.287 59.771 1.00 62.09 N +ATOM 4281 N TRP B 478 17.673 68.008 60.566 1.00 48.07 N +ATOM 4282 CA TRP B 478 16.241 67.795 60.734 1.00 46.26 C +ATOM 4283 C TRP B 478 15.714 68.171 62.119 1.00 44.14 C +ATOM 4284 O TRP B 478 14.676 68.826 62.239 1.00 43.06 O +ATOM 4285 CB TRP B 478 15.884 66.337 60.417 1.00 48.42 C +ATOM 4286 CG TRP B 478 14.408 66.104 60.401 1.00 48.46 C +ATOM 4287 CD1 TRP B 478 13.647 65.593 61.410 1.00 49.20 C +ATOM 4288 CD2 TRP B 478 13.500 66.462 59.354 1.00 48.55 C +ATOM 4289 NE1 TRP B 478 12.318 65.614 61.059 1.00 52.53 N +ATOM 4290 CE2 TRP B 478 12.200 66.143 59.801 1.00 50.11 C +ATOM 4291 CE3 TRP B 478 13.659 67.026 58.081 1.00 51.03 C +ATOM 4292 CZ2 TRP B 478 11.061 66.369 59.021 1.00 50.82 C +ATOM 4293 CZ3 TRP B 478 12.523 67.253 57.302 1.00 50.16 C +ATOM 4294 CH2 TRP B 478 11.243 66.923 57.777 1.00 51.21 C +ATOM 4295 N ASN B 479 16.423 67.755 63.161 1.00 45.09 N +ATOM 4296 CA ASN B 479 16.015 68.061 64.528 1.00 45.92 C +ATOM 4297 C ASN B 479 16.596 69.406 64.956 1.00 45.78 C +ATOM 4298 O ASN B 479 17.815 69.583 64.998 1.00 47.81 O +ATOM 4299 CB ASN B 479 16.483 66.956 65.481 1.00 50.53 C +ATOM 4300 CG ASN B 479 16.066 67.210 66.924 1.00 56.71 C +ATOM 4301 OD1 ASN B 479 15.327 68.153 67.215 1.00 58.73 O +ATOM 4302 ND2 ASN B 479 16.538 66.363 67.835 1.00 55.57 N +ATOM 4303 N PRO B 480 15.725 70.371 65.290 1.00 45.28 N +ATOM 4304 CA PRO B 480 16.148 71.709 65.714 1.00 45.56 C +ATOM 4305 C PRO B 480 17.229 71.763 66.790 1.00 44.86 C +ATOM 4306 O PRO B 480 18.109 72.621 66.739 1.00 47.06 O +ATOM 4307 CB PRO B 480 14.839 72.371 66.150 1.00 47.78 C +ATOM 4308 CG PRO B 480 13.946 71.216 66.489 1.00 50.73 C +ATOM 4309 CD PRO B 480 14.264 70.221 65.414 1.00 45.37 C +ATOM 4310 N SER B 481 17.181 70.846 67.750 1.00 46.11 N +ATOM 4311 CA SER B 481 18.178 70.836 68.814 1.00 47.31 C +ATOM 4312 C SER B 481 19.544 70.411 68.284 1.00 48.02 C +ATOM 4313 O SER B 481 20.569 70.700 68.898 1.00 48.97 O +ATOM 4314 CB SER B 481 17.745 69.901 69.955 1.00 51.11 C +ATOM 4315 OG SER B 481 17.778 68.539 69.562 1.00 50.21 O +ATOM 4316 N ASP B 482 19.553 69.728 67.141 1.00 49.16 N +ATOM 4317 CA ASP B 482 20.795 69.269 66.520 1.00 50.75 C +ATOM 4318 C ASP B 482 21.500 70.423 65.814 1.00 51.02 C +ATOM 4319 O ASP B 482 22.668 70.318 65.447 1.00 52.47 O +ATOM 4320 CB ASP B 482 20.509 68.168 65.494 1.00 58.07 C +ATOM 4321 CG ASP B 482 20.055 66.872 66.133 1.00 64.28 C +ATOM 4322 OD1 ASP B 482 19.175 66.917 67.018 1.00 68.08 O +ATOM 4323 OD2 ASP B 482 20.573 65.804 65.740 1.00 66.07 O +ATOM 4324 N ARG B 483 20.784 71.523 65.622 1.00 48.51 N +ATOM 4325 CA ARG B 483 21.357 72.680 64.954 1.00 49.07 C +ATOM 4326 C ARG B 483 22.162 73.514 65.941 1.00 50.00 C +ATOM 4327 O ARG B 483 21.809 73.618 67.117 1.00 48.70 O +ATOM 4328 CB ARG B 483 20.247 73.534 64.334 1.00 46.81 C +ATOM 4329 CG ARG B 483 19.358 72.773 63.360 1.00 44.59 C +ATOM 4330 CD ARG B 483 18.123 73.574 62.993 1.00 44.85 C +ATOM 4331 NE ARG B 483 17.101 72.722 62.395 1.00 38.52 N +ATOM 4332 CZ ARG B 483 15.802 73.001 62.394 1.00 42.59 C +ATOM 4333 NH1 ARG B 483 15.356 74.117 62.957 1.00 34.53 N +ATOM 4334 NH2 ARG B 483 14.941 72.148 61.851 1.00 48.78 N +ATOM 4335 N PRO B 484 23.265 74.115 65.471 1.00 50.79 N +ATOM 4336 CA PRO B 484 24.118 74.946 66.325 1.00 48.53 C +ATOM 4337 C PRO B 484 23.469 76.300 66.568 1.00 47.93 C +ATOM 4338 O PRO B 484 22.572 76.703 65.825 1.00 46.83 O +ATOM 4339 CB PRO B 484 25.395 75.069 65.509 1.00 48.66 C +ATOM 4340 CG PRO B 484 24.861 75.115 64.099 1.00 52.42 C +ATOM 4341 CD PRO B 484 23.827 74.007 64.112 1.00 47.94 C +ATOM 4342 N SER B 485 23.923 76.993 67.610 1.00 46.41 N +ATOM 4343 CA SER B 485 23.405 78.313 67.944 1.00 43.67 C +ATOM 4344 C SER B 485 24.118 79.347 67.091 1.00 43.92 C +ATOM 4345 O SER B 485 25.133 79.047 66.449 1.00 44.03 O +ATOM 4346 CB SER B 485 23.662 78.629 69.416 1.00 48.41 C +ATOM 4347 OG SER B 485 25.054 78.615 69.690 1.00 49.69 O +ATOM 4348 N PHE B 486 23.589 80.565 67.090 1.00 41.64 N +ATOM 4349 CA PHE B 486 24.186 81.646 66.327 1.00 42.65 C +ATOM 4350 C PHE B 486 25.507 82.076 66.951 1.00 48.66 C +ATOM 4351 O PHE B 486 26.369 82.640 66.274 1.00 48.28 O +ATOM 4352 CB PHE B 486 23.220 82.825 66.241 1.00 43.12 C +ATOM 4353 CG PHE B 486 22.192 82.675 65.154 1.00 41.40 C +ATOM 4354 CD1 PHE B 486 22.579 82.641 63.818 1.00 40.43 C +ATOM 4355 CD2 PHE B 486 20.848 82.563 65.459 1.00 37.96 C +ATOM 4356 CE1 PHE B 486 21.638 82.498 62.801 1.00 42.33 C +ATOM 4357 CE2 PHE B 486 19.894 82.418 64.450 1.00 43.67 C +ATOM 4358 CZ PHE B 486 20.288 82.387 63.119 1.00 44.38 C +ATOM 4359 N ALA B 487 25.672 81.806 68.244 1.00 50.12 N +ATOM 4360 CA ALA B 487 26.918 82.155 68.912 1.00 50.58 C +ATOM 4361 C ALA B 487 28.005 81.246 68.345 1.00 49.15 C +ATOM 4362 O ALA B 487 29.108 81.696 68.052 1.00 49.92 O +ATOM 4363 CB ALA B 487 26.790 81.956 70.414 1.00 51.47 C +ATOM 4364 N GLU B 488 27.679 79.966 68.183 1.00 49.57 N +ATOM 4365 CA GLU B 488 28.625 78.997 67.636 1.00 52.59 C +ATOM 4366 C GLU B 488 28.897 79.274 66.160 1.00 53.67 C +ATOM 4367 O GLU B 488 30.012 79.074 65.670 1.00 55.59 O +ATOM 4368 CB GLU B 488 28.078 77.575 67.793 1.00 55.50 C +ATOM 4369 CG GLU B 488 28.010 77.090 69.231 1.00 61.36 C +ATOM 4370 CD GLU B 488 27.361 75.721 69.354 1.00 65.99 C +ATOM 4371 OE1 GLU B 488 26.164 75.597 69.018 1.00 63.63 O +ATOM 4372 OE2 GLU B 488 28.048 74.769 69.786 1.00 71.01 O +ATOM 4373 N ILE B 489 27.868 79.733 65.455 1.00 50.98 N +ATOM 4374 CA ILE B 489 27.988 80.039 64.037 1.00 49.02 C +ATOM 4375 C ILE B 489 28.901 81.245 63.822 1.00 48.92 C +ATOM 4376 O ILE B 489 29.761 81.234 62.941 1.00 45.77 O +ATOM 4377 CB ILE B 489 26.596 80.329 63.416 1.00 45.04 C +ATOM 4378 CG1 ILE B 489 25.764 79.040 63.387 1.00 44.78 C +ATOM 4379 CG2 ILE B 489 26.757 80.912 62.021 1.00 46.26 C +ATOM 4380 CD1 ILE B 489 24.347 79.211 62.872 1.00 40.67 C +ATOM 4381 N HIS B 490 28.704 82.284 64.629 1.00 51.34 N +ATOM 4382 CA HIS B 490 29.509 83.497 64.526 1.00 52.32 C +ATOM 4383 C HIS B 490 30.969 83.171 64.808 1.00 53.57 C +ATOM 4384 O HIS B 490 31.872 83.654 64.122 1.00 45.70 O +ATOM 4385 CB HIS B 490 29.020 84.551 65.521 1.00 55.30 C +ATOM 4386 CG HIS B 490 29.803 85.825 65.475 1.00 59.98 C +ATOM 4387 ND1 HIS B 490 29.823 86.647 64.368 1.00 60.67 N +ATOM 4388 CD2 HIS B 490 30.614 86.408 66.390 1.00 61.28 C +ATOM 4389 CE1 HIS B 490 30.612 87.680 64.602 1.00 60.41 C +ATOM 4390 NE2 HIS B 490 31.105 87.559 65.822 1.00 62.50 N +ATOM 4391 N GLN B 491 31.185 82.348 65.828 1.00 56.40 N +ATOM 4392 CA GLN B 491 32.522 81.932 66.215 1.00 59.70 C +ATOM 4393 C GLN B 491 33.201 81.256 65.031 1.00 61.42 C +ATOM 4394 O GLN B 491 34.383 81.474 64.775 1.00 59.41 O +ATOM 4395 CB GLN B 491 32.446 80.957 67.392 1.00 63.30 C +ATOM 4396 CG GLN B 491 33.799 80.495 67.899 1.00 69.42 C +ATOM 4397 CD GLN B 491 34.640 81.643 68.417 1.00 73.97 C +ATOM 4398 OE1 GLN B 491 34.259 82.325 69.370 1.00 76.23 O +ATOM 4399 NE2 GLN B 491 35.790 81.868 67.788 1.00 74.92 N +ATOM 4400 N ALA B 492 32.439 80.441 64.306 1.00 62.82 N +ATOM 4401 CA ALA B 492 32.962 79.725 63.147 1.00 62.98 C +ATOM 4402 C ALA B 492 33.365 80.680 62.030 1.00 63.71 C +ATOM 4403 O ALA B 492 34.462 80.575 61.484 1.00 64.68 O +ATOM 4404 CB ALA B 492 31.927 78.733 62.635 1.00 64.24 C +ATOM 4405 N PHE B 493 32.473 81.603 61.685 1.00 63.23 N +ATOM 4406 CA PHE B 493 32.762 82.572 60.636 1.00 66.54 C +ATOM 4407 C PHE B 493 33.888 83.513 61.035 1.00 68.04 C +ATOM 4408 O PHE B 493 34.659 83.960 60.186 1.00 68.34 O +ATOM 4409 CB PHE B 493 31.516 83.391 60.293 1.00 65.27 C +ATOM 4410 CG PHE B 493 30.646 82.756 59.254 1.00 68.07 C +ATOM 4411 CD1 PHE B 493 31.166 82.426 58.005 1.00 66.76 C +ATOM 4412 CD2 PHE B 493 29.306 82.490 59.515 1.00 66.62 C +ATOM 4413 CE1 PHE B 493 30.367 81.841 57.031 1.00 66.62 C +ATOM 4414 CE2 PHE B 493 28.498 81.905 58.545 1.00 68.15 C +ATOM 4415 CZ PHE B 493 29.032 81.580 57.300 1.00 65.95 C +ATOM 4416 N GLU B 494 33.978 83.817 62.326 1.00 69.70 N +ATOM 4417 CA GLU B 494 35.020 84.705 62.815 1.00 72.98 C +ATOM 4418 C GLU B 494 36.358 83.980 62.758 1.00 74.90 C +ATOM 4419 O GLU B 494 37.407 84.611 62.661 1.00 75.94 O +ATOM 4420 CB GLU B 494 34.721 85.146 64.247 1.00 74.74 C +ATOM 4421 CG GLU B 494 35.660 86.227 64.764 1.00 82.17 C +ATOM 4422 CD GLU B 494 35.327 86.660 66.179 1.00 87.43 C +ATOM 4423 OE1 GLU B 494 34.384 86.089 66.769 1.00 90.63 O +ATOM 4424 OE2 GLU B 494 36.009 87.570 66.702 1.00 88.07 O +ATOM 4425 N THR B 495 36.317 82.653 62.817 1.00 77.31 N +ATOM 4426 CA THR B 495 37.536 81.853 62.746 1.00 80.18 C +ATOM 4427 C THR B 495 38.042 81.872 61.310 1.00 80.90 C +ATOM 4428 O THR B 495 39.239 82.018 61.066 1.00 81.34 O +ATOM 4429 CB THR B 495 37.285 80.396 63.173 1.00 80.26 C +ATOM 4430 OG1 THR B 495 36.961 80.356 64.568 1.00 80.67 O +ATOM 4431 CG2 THR B 495 38.523 79.548 62.921 1.00 80.29 C +ATOM 4432 N MET B 496 37.121 81.723 60.362 1.00 82.31 N +ATOM 4433 CA MET B 496 37.468 81.759 58.946 1.00 84.62 C +ATOM 4434 C MET B 496 37.860 83.196 58.616 1.00 87.04 C +ATOM 4435 O MET B 496 37.836 83.618 57.460 1.00 86.75 O +ATOM 4436 CB MET B 496 36.269 81.338 58.096 1.00 81.82 C +ATOM 4437 CG MET B 496 35.860 79.888 58.278 1.00 80.74 C +ATOM 4438 SD MET B 496 34.320 79.500 57.429 1.00 75.91 S +ATOM 4439 CE MET B 496 33.187 79.402 58.804 1.00 78.90 C +ATOM 4440 N PHE B 497 38.211 83.936 59.663 1.00 90.42 N +ATOM 4441 CA PHE B 497 38.620 85.332 59.572 1.00 93.05 C +ATOM 4442 C PHE B 497 39.740 85.555 60.585 1.00 94.67 C +ATOM 4443 O PHE B 497 40.909 85.261 60.324 1.00 92.26 O +ATOM 4444 CB PHE B 497 37.450 86.253 59.933 1.00 93.91 C +ATOM 4445 CG PHE B 497 36.866 86.994 58.768 1.00 93.96 C +ATOM 4446 CD1 PHE B 497 35.755 86.498 58.095 1.00 94.24 C +ATOM 4447 CD2 PHE B 497 37.420 88.200 58.351 1.00 93.85 C +ATOM 4448 CE1 PHE B 497 35.202 87.197 57.023 1.00 94.81 C +ATOM 4449 CE2 PHE B 497 36.877 88.904 57.282 1.00 94.40 C +ATOM 4450 CZ PHE B 497 35.764 88.402 56.616 1.00 95.25 C +ATOM 4451 N GLN B 498 39.346 86.074 61.747 1.00 97.48 N +ATOM 4452 CA GLN B 498 40.241 86.370 62.861 1.00 99.26 C +ATOM 4453 C GLN B 498 41.016 87.663 62.621 1.00 99.49 C +ATOM 4454 O GLN B 498 42.257 87.648 62.759 1.00100.35 O +ATOM 4455 CB GLN B 498 41.211 85.205 63.093 1.00100.80 C +ATOM 4456 CG GLN B 498 41.391 84.831 64.556 1.00102.53 C +ATOM 4457 CD GLN B 498 40.090 84.391 65.210 1.00103.58 C +ATOM 4458 OE1 GLN B 498 39.140 85.169 65.318 1.00103.62 O +ATOM 4459 NE2 GLN B 498 40.041 83.136 65.647 1.00102.89 N +TER 4460 GLN B 498 +HETATM 4461 CL CL A 1 14.207 35.375 1.662 1.00 50.30 CL +HETATM 4462 CL CL A 2 18.095 42.377 23.842 1.00 64.60 CL +HETATM 4463 CL CL A 4 3.753 59.155 9.290 1.00 86.31 CL +HETATM 4464 CL CL A 5 12.290 64.724 15.103 1.00 49.39 CL +HETATM 4465 C1 STI A 201 11.879 62.272 12.570 1.00 35.17 C +HETATM 4466 C6 STI A 201 13.002 61.429 12.910 1.00 32.96 C +HETATM 4467 C5 STI A 201 13.097 60.070 12.392 1.00 33.74 C +HETATM 4468 C4 STI A 201 12.031 59.591 11.525 1.00 31.40 C +HETATM 4469 N3 STI A 201 10.961 60.425 11.216 1.00 33.76 N +HETATM 4470 C2 STI A 201 10.858 61.734 11.710 1.00 35.46 C +HETATM 4471 C7 STI A 201 14.238 59.155 12.712 1.00 33.05 C +HETATM 4472 C12 STI A 201 15.433 59.579 13.383 1.00 30.85 C +HETATM 4473 C11 STI A 201 16.428 58.603 13.615 1.00 35.42 C +HETATM 4474 N10 STI A 201 16.232 57.303 13.202 1.00 32.08 N +HETATM 4475 C9 STI A 201 15.067 56.927 12.559 1.00 33.83 C +HETATM 4476 N8 STI A 201 14.101 57.840 12.327 1.00 33.44 N +HETATM 4477 N13 STI A 201 14.852 55.627 12.128 1.00 32.90 N +HETATM 4478 C14 STI A 201 15.822 54.641 12.322 1.00 32.92 C +HETATM 4479 C19 STI A 201 16.950 54.502 11.393 1.00 28.09 C +HETATM 4480 C18 STI A 201 17.915 53.471 11.648 1.00 26.77 C +HETATM 4481 C17 STI A 201 17.774 52.597 12.786 1.00 25.91 C +HETATM 4482 C16 STI A 201 16.678 52.727 13.688 1.00 30.34 C +HETATM 4483 C15 STI A 201 15.698 53.772 13.436 1.00 29.33 C +HETATM 4484 N21 STI A 201 16.600 51.810 14.798 1.00 31.22 N +HETATM 4485 C22 STI A 201 15.629 51.747 15.784 1.00 33.27 C +HETATM 4486 C23 STI A 201 15.595 50.558 16.689 1.00 31.14 C +HETATM 4487 C25 STI A 201 14.423 50.268 17.519 1.00 34.22 C +HETATM 4488 C26 STI A 201 14.423 49.124 18.396 1.00 31.64 C +HETATM 4489 C27 STI A 201 15.600 48.260 18.446 1.00 38.05 C +HETATM 4490 C28 STI A 201 16.747 48.568 17.608 1.00 29.43 C +HETATM 4491 C29 STI A 201 16.751 49.689 16.748 1.00 34.20 C +HETATM 4492 C46 STI A 201 15.696 47.030 19.368 1.00 35.44 C +HETATM 4493 N48 STI A 201 16.917 46.907 20.219 1.00 46.28 N +HETATM 4494 C53 STI A 201 17.097 48.140 21.070 1.00 45.06 C +HETATM 4495 C52 STI A 201 18.375 48.041 21.949 1.00 46.67 C +HETATM 4496 N51 STI A 201 18.337 46.794 22.821 1.00 48.74 N +HETATM 4497 C54 STI A 201 19.522 46.655 23.680 1.00 49.83 C +HETATM 4498 C50 STI A 201 18.172 45.533 21.971 1.00 45.31 C +HETATM 4499 C49 STI A 201 16.877 45.658 21.104 1.00 44.33 C +HETATM 4500 O29 STI A 201 14.789 52.612 15.983 1.00 38.89 O +HETATM 4501 C20 STI A 201 17.148 55.406 10.154 1.00 26.25 C +HETATM 4502 CL CL B 3 10.209 87.546 69.257 1.00 64.95 CL +HETATM 4503 CL CL B 6 16.086 97.995 48.278 1.00 73.93 CL +HETATM 4504 C1 STI B 202 16.356 100.406 50.614 1.00 54.02 C +HETATM 4505 C6 STI B 202 15.218 100.012 51.414 1.00 52.26 C +HETATM 4506 C5 STI B 202 15.089 100.453 52.798 1.00 49.43 C +HETATM 4507 C4 STI B 202 16.138 101.298 53.339 1.00 47.99 C +HETATM 4508 N3 STI B 202 17.220 101.660 52.543 1.00 51.14 N +HETATM 4509 C2 STI B 202 17.356 101.243 51.215 1.00 52.94 C +HETATM 4510 C7 STI B 202 13.928 100.078 53.673 1.00 48.61 C +HETATM 4511 C12 STI B 202 12.723 99.470 53.173 1.00 45.68 C +HETATM 4512 C11 STI B 202 11.704 99.172 54.114 1.00 47.75 C +HETATM 4513 N10 STI B 202 11.881 99.464 55.456 1.00 45.18 N +HETATM 4514 C9 STI B 202 13.053 100.050 55.907 1.00 48.27 C +HETATM 4515 N8 STI B 202 14.046 100.345 55.023 1.00 42.11 N +HETATM 4516 N13 STI B 202 13.263 100.362 57.253 1.00 45.65 N +HETATM 4517 C14 STI B 202 12.302 100.109 58.246 1.00 42.05 C +HETATM 4518 C19 STI B 202 11.195 101.040 58.488 1.00 40.08 C +HETATM 4519 C18 STI B 202 10.251 100.722 59.524 1.00 41.64 C +HETATM 4520 C17 STI B 202 10.386 99.520 60.309 1.00 38.14 C +HETATM 4521 C16 STI B 202 11.456 98.610 60.086 1.00 38.18 C +HETATM 4522 C15 STI B 202 12.424 98.921 59.032 1.00 40.05 C +HETATM 4523 N21 STI B 202 11.516 97.436 60.923 1.00 36.88 N +HETATM 4524 C22 STI B 202 12.446 96.415 60.910 1.00 34.79 C +HETATM 4525 C23 STI B 202 12.472 95.442 62.042 1.00 39.43 C +HETATM 4526 C25 STI B 202 13.689 94.696 62.364 1.00 41.52 C +HETATM 4527 C26 STI B 202 13.682 93.749 63.449 1.00 42.92 C +HETATM 4528 C27 STI B 202 12.463 93.546 64.214 1.00 41.50 C +HETATM 4529 C28 STI B 202 11.274 94.301 63.879 1.00 41.95 C +HETATM 4530 C29 STI B 202 11.272 95.230 62.817 1.00 42.07 C +HETATM 4531 C46 STI B 202 12.371 92.542 65.368 1.00 42.63 C +HETATM 4532 N48 STI B 202 11.230 91.579 65.364 1.00 46.81 N +HETATM 4533 C53 STI B 202 11.214 90.778 64.093 1.00 41.12 C +HETATM 4534 C52 STI B 202 10.031 89.776 64.067 1.00 42.59 C +HETATM 4535 N51 STI B 202 10.081 88.858 65.278 1.00 45.71 N +HETATM 4536 C54 STI B 202 8.985 87.875 65.306 1.00 47.72 C +HETATM 4537 C50 STI B 202 10.070 89.659 66.572 1.00 46.99 C +HETATM 4538 C49 STI B 202 11.273 90.652 66.574 1.00 44.56 C +HETATM 4539 O29 STI B 202 13.258 96.231 60.024 1.00 40.42 O +HETATM 4540 C20 STI B 202 10.986 102.351 57.694 1.00 40.72 C +HETATM 4541 O HOH A 7 16.209 44.973 36.093 1.00 45.16 O +HETATM 4542 O HOH A 8 13.642 39.493 8.579 1.00 48.49 O +HETATM 4543 O HOH A 9 10.491 69.478 34.185 1.00 45.11 O +HETATM 4544 O HOH A 10 11.145 64.895 29.334 1.00 37.52 O +HETATM 4545 O HOH A 12 5.403 73.226 26.076 1.00 46.61 O +HETATM 4546 O HOH A 13 12.534 61.665 26.746 1.00 38.42 O +HETATM 4547 O HOH A 14 19.402 53.852 15.819 1.00 36.90 O +HETATM 4548 O HOH A 15 7.940 47.193 12.882 1.00 35.20 O +HETATM 4549 O HOH A 16 18.083 41.985 -1.483 1.00 44.94 O +HETATM 4550 O HOH A 18 -1.047 69.021 17.963 1.00 36.16 O +HETATM 4551 O HOH A 19 15.013 63.513 27.481 1.00 36.71 O +HETATM 4552 O HOH A 20 7.226 60.031 47.313 1.00 43.88 O +HETATM 4553 O HOH A 22 6.959 66.074 8.462 1.00 51.30 O +HETATM 4554 O HOH A 23 4.108 40.456 26.663 1.00 50.81 O +HETATM 4555 O HOH A 24 10.395 70.723 31.866 1.00 41.95 O +HETATM 4556 O HOH A 30 14.636 51.401 28.990 1.00 46.35 O +HETATM 4557 O HOH A 33 11.594 52.361 47.282 1.00 42.67 O +HETATM 4558 O HOH A 34 21.809 55.119 27.572 1.00 59.40 O +HETATM 4559 O HOH A 35 -0.785 63.086 14.873 1.00 40.67 O +HETATM 4560 O HOH A 37 21.183 59.301 42.207 1.00 44.53 O +HETATM 4561 O HOH A 39 21.415 61.351 33.589 1.00 47.70 O +HETATM 4562 O HOH A 41 16.230 56.818 38.243 1.00 39.70 O +HETATM 4563 O HOH A 42 6.020 46.959 10.766 1.00 47.71 O +HETATM 4564 O HOH A 43 6.864 65.328 41.429 1.00 49.66 O +HETATM 4565 O HOH A 45 16.323 48.699 30.660 1.00 39.36 O +HETATM 4566 O HOH A 47 18.689 56.297 22.046 1.00 61.39 O +HETATM 4567 O HOH A 48 1.922 43.577 21.411 1.00 51.52 O +HETATM 4568 O HOH A 49 -1.460 52.387 16.468 1.00 41.24 O +HETATM 4569 O HOH A 50 21.476 59.099 45.154 1.00 58.02 O +HETATM 4570 O HOH A 51 13.587 65.302 28.928 1.00 42.75 O +HETATM 4571 O HOH A 53 13.550 57.158 37.582 1.00 35.48 O +HETATM 4572 O HOH A 54 9.386 58.385 40.439 1.00 46.46 O +HETATM 4573 O HOH A 56 18.316 61.826 33.381 1.00 47.56 O +HETATM 4574 O HOH A 58 2.320 71.389 25.188 1.00 42.59 O +HETATM 4575 O HOH A 60 16.500 36.572 3.259 1.00 45.20 O +HETATM 4576 O HOH A 61 10.444 68.230 42.004 1.00 48.92 O +HETATM 4577 O HOH A 62 2.303 52.409 10.054 1.00 43.35 O +HETATM 4578 O HOH A 63 22.368 56.937 -1.555 1.00 68.64 O +HETATM 4579 O HOH A 65 14.652 40.479 30.791 1.00 46.97 O +HETATM 4580 O HOH A 66 -3.133 63.681 11.797 1.00 50.24 O +HETATM 4581 O HOH A 67 9.708 65.356 41.632 1.00 54.04 O +HETATM 4582 O HOH A 69 -4.037 56.196 14.811 1.00 49.91 O +HETATM 4583 O HOH A 72 -1.178 48.382 17.799 1.00 60.27 O +HETATM 4584 O HOH A 73 1.671 51.071 12.084 1.00 46.22 O +HETATM 4585 O HOH A 75 18.433 56.108 14.294 1.00 36.90 O +HETATM 4586 O HOH A 76 14.778 62.721 20.176 1.00 42.96 O +HETATM 4587 O HOH A 77 22.437 43.881 7.276 1.00 53.63 O +HETATM 4588 O HOH A 78 12.417 46.825 12.788 1.00 41.04 O +HETATM 4589 O HOH A 83 16.535 51.402 31.009 1.00 54.39 O +HETATM 4590 O HOH A 84 16.711 64.494 20.198 1.00 55.91 O +HETATM 4591 O HOH A 88 20.694 64.337 12.484 1.00 53.07 O +HETATM 4592 O HOH A 90 16.499 39.527 35.431 1.00 49.78 O +HETATM 4593 O HOH A 91 28.431 57.743 5.387 1.00 56.05 O +HETATM 4594 O HOH A 92 8.591 46.471 45.293 1.00 56.71 O +HETATM 4595 O HOH A 93 21.614 55.171 24.382 1.00 57.34 O +HETATM 4596 O HOH A 94 8.222 56.482 5.241 1.00 46.99 O +HETATM 4597 O HOH A 97 -4.949 71.817 28.119 1.00 68.24 O +HETATM 4598 O HOH A 99 3.607 54.824 9.684 1.00 68.60 O +HETATM 4599 O HOH A 101 0.040 56.521 9.276 1.00 63.71 O +HETATM 4600 O HOH A 102 20.159 53.143 29.476 1.00 53.30 O +HETATM 4601 O HOH A 104 8.208 66.091 17.154 1.00 44.59 O +HETATM 4602 O HOH A 106 6.576 59.747 1.584 1.00 56.53 O +HETATM 4603 O HOH A 107 0.981 62.571 44.291 1.00 58.70 O +HETATM 4604 O HOH A 108 15.748 37.784 8.619 1.00 64.64 O +HETATM 4605 O HOH A 109 22.290 64.563 27.818 1.00 48.62 O +HETATM 4606 O HOH A 110 27.710 64.047 29.162 1.00 64.21 O +HETATM 4607 O HOH A 112 -1.861 56.721 11.106 1.00 59.68 O +HETATM 4608 O HOH A 114 5.284 49.659 12.055 1.00 51.77 O +HETATM 4609 O HOH A 115 14.085 65.200 21.747 1.00 50.10 O +HETATM 4610 O HOH A 117 14.810 68.306 20.358 1.00 55.65 O +HETATM 4611 O HOH A 118 23.859 56.925 17.743 1.00 48.82 O +HETATM 4612 O HOH A 119 25.236 53.204 26.090 1.00 65.85 O +HETATM 4613 O HOH A 120 5.152 71.226 28.004 1.00 42.37 O +HETATM 4614 O HOH A 125 -3.032 71.270 29.804 1.00 56.32 O +HETATM 4615 O HOH A 126 18.530 64.543 33.844 1.00 53.28 O +HETATM 4616 O HOH A 127 23.763 43.119 9.581 1.00 44.42 O +HETATM 4617 O HOH A 128 1.774 38.638 32.478 1.00 49.41 O +HETATM 4618 O HOH A 129 18.991 51.017 23.819 1.00 49.63 O +HETATM 4619 O HOH A 131 2.843 42.869 12.408 1.00 68.74 O +HETATM 4620 O HOH A 135 10.310 47.024 11.373 1.00 53.60 O +HETATM 4621 O HOH A 137 19.578 33.382 -10.048 1.00 49.20 O +HETATM 4622 O HOH A 142 10.757 39.019 28.467 1.00 58.69 O +HETATM 4623 O HOH A 143 10.127 66.615 5.784 1.00 53.38 O +HETATM 4624 O HOH A 144 11.631 44.153 10.295 1.00 53.09 O +HETATM 4625 O HOH A 147 15.641 55.564 29.056 1.00 39.54 O +HETATM 4626 O HOH A 154 21.287 51.247 25.041 1.00 55.18 O +HETATM 4627 O HOH A 155 13.452 50.657 49.349 1.00 59.71 O +HETATM 4628 O HOH A 157 19.808 44.152 -4.596 1.00 59.10 O +HETATM 4629 O HOH A 158 3.481 45.494 11.666 1.00 44.96 O +HETATM 4630 O HOH A 159 14.108 67.537 27.752 1.00 58.45 O +HETATM 4631 O HOH A 160 15.458 68.310 25.691 1.00 61.95 O +HETATM 4632 O HOH A 161 22.830 46.339 -0.252 1.00 45.32 O +HETATM 4633 O HOH A 162 24.355 47.545 17.963 1.00 66.39 O +HETATM 4634 O HOH A 163 15.402 51.758 33.317 1.00 69.46 O +HETATM 4635 O HOH A 167 12.197 48.371 14.804 1.00 52.86 O +HETATM 4636 O HOH A 169 8.525 67.997 8.081 1.00 72.81 O +HETATM 4637 O HOH A 170 -2.218 74.214 23.146 1.00 31.91 O +HETATM 4638 O HOH A 173 7.270 69.430 6.470 1.00 82.12 O +HETATM 4639 O HOH A 174 6.490 71.630 8.060 1.00 81.99 O +HETATM 4640 O HOH B 11 18.658 72.371 51.678 1.00 36.37 O +HETATM 4641 O HOH B 17 12.502 83.602 55.783 1.00 36.11 O +HETATM 4642 O HOH B 21 22.841 87.721 38.698 1.00 45.80 O +HETATM 4643 O HOH B 25 13.741 83.196 59.950 1.00 38.64 O +HETATM 4644 O HOH B 26 23.584 84.415 71.451 1.00 40.64 O +HETATM 4645 O HOH B 27 23.166 85.622 40.378 1.00 52.38 O +HETATM 4646 O HOH B 28 25.704 88.443 40.616 1.00 56.11 O +HETATM 4647 O HOH B 29 28.986 98.333 49.763 1.00 56.66 O +HETATM 4648 O HOH B 31 8.806 96.442 58.752 1.00 38.76 O +HETATM 4649 O HOH B 32 15.765 65.162 57.133 1.00 40.47 O +HETATM 4650 O HOH B 36 17.445 83.881 46.665 1.00 42.99 O +HETATM 4651 O HOH B 38 7.120 88.027 56.738 1.00 49.27 O +HETATM 4652 O HOH B 40 26.246 90.547 38.761 1.00 50.27 O +HETATM 4653 O HOH B 44 27.667 69.362 58.949 1.00 54.05 O +HETATM 4654 O HOH B 46 26.055 84.895 72.313 1.00 67.68 O +HETATM 4655 O HOH B 52 13.438 85.909 48.046 1.00 49.82 O +HETATM 4656 O HOH B 55 11.708 81.438 59.384 1.00 64.42 O +HETATM 4657 O HOH B 57 12.135 74.469 53.662 1.00 38.31 O +HETATM 4658 O HOH B 59 29.747 95.523 60.428 1.00 54.09 O +HETATM 4659 O HOH B 64 21.632 68.991 56.288 1.00 41.02 O +HETATM 4660 O HOH B 68 29.225 96.222 43.252 1.00 54.30 O +HETATM 4661 O HOH B 70 20.497 98.698 65.564 1.00 34.78 O +HETATM 4662 O HOH B 71 5.839 103.930 69.406 1.00 48.43 O +HETATM 4663 O HOH B 74 10.236 113.162 72.074 1.00 45.46 O +HETATM 4664 O HOH B 79 26.409 103.130 54.833 1.00 61.21 O +HETATM 4665 O HOH B 80 21.803 100.889 66.301 1.00 55.81 O +HETATM 4666 O HOH B 81 22.904 99.775 63.715 1.00 49.29 O +HETATM 4667 O HOH B 82 13.177 93.111 49.532 1.00 52.51 O +HETATM 4668 O HOH B 85 29.401 97.940 62.305 1.00 57.21 O +HETATM 4669 O HOH B 86 26.458 99.944 61.993 1.00 43.79 O +HETATM 4670 O HOH B 87 9.502 79.874 48.864 1.00 43.69 O +HETATM 4671 O HOH B 89 5.748 67.558 50.657 1.00 46.53 O +HETATM 4672 O HOH B 95 25.650 101.532 63.795 1.00 51.93 O +HETATM 4673 O HOH B 96 22.074 104.699 56.547 1.00 60.08 O +HETATM 4674 O HOH B 98 20.107 96.605 74.003 1.00 56.83 O +HETATM 4675 O HOH B 100 17.284 109.452 66.429 1.00 48.32 O +HETATM 4676 O HOH B 103 26.906 97.317 43.079 1.00 57.29 O +HETATM 4677 O HOH B 105 16.399 102.637 75.006 1.00 56.12 O +HETATM 4678 O HOH B 111 11.480 75.733 65.633 1.00 49.62 O +HETATM 4679 O HOH B 113 15.058 84.308 46.098 1.00 46.65 O +HETATM 4680 O HOH B 116 19.664 107.483 56.854 1.00 45.78 O +HETATM 4681 O HOH B 121 20.148 96.409 46.350 1.00 47.03 O +HETATM 4682 O HOH B 122 38.123 92.099 47.443 1.00 51.86 O +HETATM 4683 O HOH B 123 18.145 100.420 66.245 1.00 48.56 O +HETATM 4684 O HOH B 124 32.722 77.652 66.309 1.00 50.94 O +HETATM 4685 O HOH B 130 23.932 103.748 54.158 1.00 57.99 O +HETATM 4686 O HOH B 132 9.386 99.323 73.734 1.00 43.59 O +HETATM 4687 O HOH B 133 6.605 79.689 49.326 1.00 56.25 O +HETATM 4688 O HOH B 134 7.609 97.182 54.946 1.00 61.21 O +HETATM 4689 O HOH B 136 9.434 90.139 56.089 1.00 46.70 O +HETATM 4690 O HOH B 138 4.712 101.353 70.418 1.00 49.76 O +HETATM 4691 O HOH B 139 5.432 111.672 67.702 1.00 57.82 O +HETATM 4692 O HOH B 140 31.107 83.881 40.531 1.00 52.41 O +HETATM 4693 O HOH B 141 20.194 102.750 67.584 1.00 77.96 O +HETATM 4694 O HOH B 145 4.232 108.492 74.741 1.00 55.24 O +HETATM 4695 O HOH B 146 14.451 75.419 53.347 1.00 44.97 O +HETATM 4696 O HOH B 148 32.325 97.513 56.275 1.00 67.13 O +HETATM 4697 O HOH B 149 14.205 69.129 69.393 1.00 59.47 O +HETATM 4698 O HOH B 150 20.291 104.918 47.009 1.00 55.37 O +HETATM 4699 O HOH B 151 8.170 85.881 67.766 1.00 47.66 O +HETATM 4700 O HOH B 152 5.923 62.517 46.035 1.00 57.74 O +HETATM 4701 O HOH B 153 13.728 80.196 70.506 1.00 45.27 O +HETATM 4702 O HOH B 156 22.733 107.598 62.504 1.00 63.82 O +HETATM 4703 O HOH B 164 12.406 115.280 72.487 1.00 64.13 O +HETATM 4704 O HOH B 165 9.612 98.238 56.739 1.00 56.74 O +HETATM 4705 O HOH B 166 16.189 96.980 64.153 1.00 64.52 O +HETATM 4706 O HOH B 168 14.489 102.942 46.768 1.00 84.23 O +HETATM 4707 O HOH B 171 19.279 65.863 59.526 1.00 36.89 O +HETATM 4708 O HOH B 172 15.826 86.328 49.861 1.00 40.94 O +HETATM 4709 O HOH B 175 2.670 108.370 72.620 1.00 78.90 O +HETATM 4710 O HOH B 176 5.240 106.810 72.760 1.00 74.68 O +HETATM 4711 O HOH B 177 17.030 101.860 47.161 1.00 80.63 O +HETATM 4712 O HOH B 178 14.420 105.221 45.150 1.00 80.78 O +CONECT 4465 4466 4470 +CONECT 4466 4465 4467 +CONECT 4467 4466 4468 4471 +CONECT 4468 4467 4469 +CONECT 4469 4468 4470 +CONECT 4470 4465 4469 +CONECT 4471 4467 4472 4476 +CONECT 4472 4471 4473 +CONECT 4473 4472 4474 +CONECT 4474 4473 4475 +CONECT 4475 4474 4476 4477 +CONECT 4476 4471 4475 +CONECT 4477 4475 4478 +CONECT 4478 4477 4479 4483 +CONECT 4479 4478 4480 4501 +CONECT 4480 4479 4481 +CONECT 4481 4480 4482 +CONECT 4482 4481 4483 4484 +CONECT 4483 4478 4482 +CONECT 4484 4482 4485 +CONECT 4485 4484 4486 4500 +CONECT 4486 4485 4487 4491 +CONECT 4487 4486 4488 +CONECT 4488 4487 4489 +CONECT 4489 4488 4490 4492 +CONECT 4490 4489 4491 +CONECT 4491 4486 4490 +CONECT 4492 4489 4493 +CONECT 4493 4492 4494 4499 +CONECT 4494 4493 4495 +CONECT 4495 4494 4496 +CONECT 4496 4495 4497 4498 +CONECT 4497 4496 +CONECT 4498 4496 4499 +CONECT 4499 4493 4498 +CONECT 4500 4485 +CONECT 4501 4479 +CONECT 4504 4505 4509 +CONECT 4505 4504 4506 +CONECT 4506 4505 4507 4510 +CONECT 4507 4506 4508 +CONECT 4508 4507 4509 +CONECT 4509 4504 4508 +CONECT 4510 4506 4511 4515 +CONECT 4511 4510 4512 +CONECT 4512 4511 4513 +CONECT 4513 4512 4514 +CONECT 4514 4513 4515 4516 +CONECT 4515 4510 4514 +CONECT 4516 4514 4517 +CONECT 4517 4516 4518 4522 +CONECT 4518 4517 4519 4540 +CONECT 4519 4518 4520 +CONECT 4520 4519 4521 +CONECT 4521 4520 4522 4523 +CONECT 4522 4517 4521 +CONECT 4523 4521 4524 +CONECT 4524 4523 4525 4539 +CONECT 4525 4524 4526 4530 +CONECT 4526 4525 4527 +CONECT 4527 4526 4528 +CONECT 4528 4527 4529 4531 +CONECT 4529 4528 4530 +CONECT 4530 4525 4529 +CONECT 4531 4528 4532 +CONECT 4532 4531 4533 4538 +CONECT 4533 4532 4534 +CONECT 4534 4533 4535 +CONECT 4535 4534 4536 4537 +CONECT 4536 4535 +CONECT 4537 4535 4538 +CONECT 4538 4532 4537 +CONECT 4539 4524 +CONECT 4540 4518 +MASTER 393 0 8 33 18 0 16 6 4710 2 74 46 +END diff --git a/data/targets/prelim_set_egfr_4wkq/egfr_4wkq.pdb b/data/targets/prelim_set_egfr_4wkq/egfr_4wkq.pdb new file mode 100644 index 0000000000000000000000000000000000000000..ceec6eb3872a7b8dc00cbe1218a29e2fc7bb5257 --- /dev/null +++ b/data/targets/prelim_set_egfr_4wkq/egfr_4wkq.pdb @@ -0,0 +1,5468 @@ +HEADER TRANSFERASE/TRANSFERASE INHIBITOR 03-OCT-14 4WKQ +TITLE 1.85 ANGSTROM STRUCTURE OF EGFR KINASE DOMAIN WITH GEFITINIB +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: EPIDERMAL GROWTH FACTOR RECEPTOR; +COMPND 3 CHAIN: A; +COMPND 4 FRAGMENT: UNP RESIDUES 696-1022; +COMPND 5 SYNONYM: PROTO-ONCOGENE C-ERBB-1,RECEPTOR TYROSINE-PROTEIN KINASE +COMPND 6 ERBB-1; +COMPND 7 EC: 2.7.10.1; +COMPND 8 ENGINEERED: YES +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; +SOURCE 3 ORGANISM_COMMON: HUMAN; +SOURCE 4 ORGANISM_TAXID: 9606; +SOURCE 5 CELL_LINE: SF9; +SOURCE 6 GENE: EGFR, ERBB, ERBB1, HER1; +SOURCE 7 EXPRESSION_SYSTEM: SPODOPTERA FRUGIPERDA; +SOURCE 8 EXPRESSION_SYSTEM_TAXID: 7108; +SOURCE 9 EXPRESSION_SYSTEM_CELL_LINE: SF9; +SOURCE 10 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; +SOURCE 11 EXPRESSION_SYSTEM_PLASMID: PFASTBACHTB +KEYWDS INHIBITOR, COMPLEX, KINASE, EPIDERMAL GROWTH FACTOR RECEPTOR, +KEYWDS 2 TRANSFERASE, TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX +EXPDTA X-RAY DIFFRACTION +AUTHOR Y.YOSAATMADJA,C.J.SQUIRE +REVDAT 3 27-MAR-24 4WKQ 1 REMARK +REVDAT 2 27-SEP-23 4WKQ 1 SOURCE REMARK LINK +REVDAT 1 05-NOV-14 4WKQ 0 +JRNL AUTH Y.YOSAATMADJA,C.J.SQUIRE,M.MCKEAGE,J.U.FLANAGAN +JRNL TITL 1.85 ANGSTROM STRUCTURE OF EGFR KINASE DOMAIN WITH GEFITINIB +JRNL REF TO BE PUBLISHED +JRNL REFN +REMARK 2 +REMARK 2 RESOLUTION. 1.85 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : REFMAC 5.8.0071 +REMARK 3 AUTHORS : MURSHUDOV,SKUBAK,LEBEDEV,PANNU,STEINER, +REMARK 3 : NICHOLLS,WINN,LONG,VAGIN +REMARK 3 +REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.85 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 100.00 +REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL +REMARK 3 COMPLETENESS FOR RANGE (%) : 99.8 +REMARK 3 NUMBER OF REFLECTIONS : 40025 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT +REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM +REMARK 3 R VALUE (WORKING + TEST SET) : 0.196 +REMARK 3 R VALUE (WORKING SET) : 0.194 +REMARK 3 FREE R VALUE : 0.225 +REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.800 +REMARK 3 FREE R VALUE TEST SET COUNT : 1997 +REMARK 3 +REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. +REMARK 3 TOTAL NUMBER OF BINS USED : 20 +REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.85 +REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.90 +REMARK 3 REFLECTION IN BIN (WORKING SET) : 2933 +REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 99.80 +REMARK 3 BIN R VALUE (WORKING SET) : 0.3590 +REMARK 3 BIN FREE R VALUE SET COUNT : 137 +REMARK 3 BIN FREE R VALUE : 0.3840 +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 2317 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 44 +REMARK 3 SOLVENT ATOMS : 121 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : NULL +REMARK 3 MEAN B VALUE (OVERALL, A**2) : 43.06 +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : 0.00000 +REMARK 3 B22 (A**2) : 0.00000 +REMARK 3 B33 (A**2) : 0.00000 +REMARK 3 B12 (A**2) : 0.00000 +REMARK 3 B13 (A**2) : 0.00000 +REMARK 3 B23 (A**2) : 0.00000 +REMARK 3 +REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. +REMARK 3 ESU BASED ON R VALUE (A): 0.106 +REMARK 3 ESU BASED ON FREE R VALUE (A): 0.106 +REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.095 +REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 6.519 +REMARK 3 +REMARK 3 CORRELATION COEFFICIENTS. +REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.967 +REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.959 +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT +REMARK 3 BOND LENGTHS REFINED ATOMS (A): 2441 ; 0.013 ; 0.019 +REMARK 3 BOND LENGTHS OTHERS (A): 2357 ; 0.002 ; 0.020 +REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 3317 ; 1.685 ; 1.995 +REMARK 3 BOND ANGLES OTHERS (DEGREES): 5426 ; 1.040 ; 3.006 +REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 301 ; 6.175 ; 5.000 +REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 99 ;37.132 ;24.040 +REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 417 ;14.545 ;15.000 +REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 14 ;20.989 ;15.000 +REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 373 ; 0.095 ; 0.200 +REMARK 3 GENERAL PLANES REFINED ATOMS (A): 2680 ; 0.007 ; 0.021 +REMARK 3 GENERAL PLANES OTHERS (A): 520 ; 0.001 ; 0.020 +REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL +REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL +REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL +REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY VDW REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL +REMARK 3 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT +REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 1192 ; 2.208 ; 2.783 +REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): 1191 ; 2.198 ; 2.779 +REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1485 ; 3.353 ; 4.142 +REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): 1486 ; 3.352 ; 4.147 +REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 1249 ; 2.905 ; 3.121 +REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): 1249 ; 2.905 ; 3.121 +REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): 1829 ; 4.465 ; 4.553 +REMARK 3 LONG RANGE B REFINED ATOMS (A**2): 2821 ; 6.324 ;22.941 +REMARK 3 LONG RANGE B OTHER ATOMS (A**2): 2820 ; 6.325 ;22.924 +REMARK 3 +REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT +REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL +REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 +REMARK 3 NCS RESTRAINTS STATISTICS +REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL +REMARK 3 +REMARK 3 TLS DETAILS +REMARK 3 NUMBER OF TLS GROUPS : 1 +REMARK 3 +REMARK 3 TLS GROUP : 1 +REMARK 3 NUMBER OF COMPONENTS GROUP : 1 +REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI +REMARK 3 RESIDUE RANGE : A 697 A 1018 +REMARK 3 ORIGIN FOR THE GROUP (A): 9.3940 202.1820 23.8660 +REMARK 3 T TENSOR +REMARK 3 T11: 0.0873 T22: 0.0158 +REMARK 3 T33: 0.0242 T12: -0.0075 +REMARK 3 T13: 0.0272 T23: 0.0004 +REMARK 3 L TENSOR +REMARK 3 L11: 2.8111 L22: 0.9190 +REMARK 3 L33: 2.3724 L12: 0.2362 +REMARK 3 L13: -1.0550 L23: -0.2241 +REMARK 3 S TENSOR +REMARK 3 S11: -0.1264 S12: -0.0470 S13: -0.2248 +REMARK 3 S21: -0.0150 S22: -0.0207 S23: 0.0288 +REMARK 3 S31: 0.3623 S32: -0.1177 S33: 0.1471 +REMARK 3 +REMARK 3 BULK SOLVENT MODELLING. +REMARK 3 METHOD USED : MASK +REMARK 3 PARAMETERS FOR MASK CALCULATION +REMARK 3 VDW PROBE RADIUS : 1.20 +REMARK 3 ION PROBE RADIUS : 0.80 +REMARK 3 SHRINKAGE RADIUS : 0.80 +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE RIDING +REMARK 3 POSITIONS +REMARK 4 +REMARK 4 4WKQ COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 03-OCT-14. +REMARK 100 THE DEPOSITION ID IS D_1000203992. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : 16-SEP-14 +REMARK 200 TEMPERATURE (KELVIN) : 100 +REMARK 200 PH : 7.0 +REMARK 200 NUMBER OF CRYSTALS USED : NULL +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : Y +REMARK 200 RADIATION SOURCE : AUSTRALIAN SYNCHROTRON +REMARK 200 BEAMLINE : MX1 +REMARK 200 X-RAY GENERATOR MODEL : NULL +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 0.9537 +REMARK 200 MONOCHROMATOR : NULL +REMARK 200 OPTICS : NULL +REMARK 200 +REMARK 200 DETECTOR TYPE : CCD +REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 315R +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : NULL +REMARK 200 DATA SCALING SOFTWARE : NULL +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 42074 +REMARK 200 RESOLUTION RANGE HIGH (A) : 1.850 +REMARK 200 RESOLUTION RANGE LOW (A) : 101.620 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 99.9 +REMARK 200 DATA REDUNDANCY : 40.60 +REMARK 200 R MERGE (I) : NULL +REMARK 200 R SYM (I) : NULL +REMARK 200 FOR THE DATA SET : 19.4000 +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.85 +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.89 +REMARK 200 COMPLETENESS FOR SHELL (%) : 99.9 +REMARK 200 DATA REDUNDANCY IN SHELL : 20.30 +REMARK 200 R MERGE FOR SHELL (I) : NULL +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 FOR SHELL : 1.000 +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT +REMARK 200 SOFTWARE USED: NULL +REMARK 200 STARTING MODEL: 2ITY +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 62.63 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.29 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1 M MES, PH 7.0, 1 M SODIUM CITRATE, +REMARK 280 VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 291K +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: I 2 3 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -X,-Y,Z +REMARK 290 3555 -X,Y,-Z +REMARK 290 4555 X,-Y,-Z +REMARK 290 5555 Z,X,Y +REMARK 290 6555 Z,-X,-Y +REMARK 290 7555 -Z,-X,Y +REMARK 290 8555 -Z,X,-Y +REMARK 290 9555 Y,Z,X +REMARK 290 10555 -Y,Z,-X +REMARK 290 11555 Y,-Z,-X +REMARK 290 12555 -Y,-Z,X +REMARK 290 13555 X+1/2,Y+1/2,Z+1/2 +REMARK 290 14555 -X+1/2,-Y+1/2,Z+1/2 +REMARK 290 15555 -X+1/2,Y+1/2,-Z+1/2 +REMARK 290 16555 X+1/2,-Y+1/2,-Z+1/2 +REMARK 290 17555 Z+1/2,X+1/2,Y+1/2 +REMARK 290 18555 Z+1/2,-X+1/2,-Y+1/2 +REMARK 290 19555 -Z+1/2,-X+1/2,Y+1/2 +REMARK 290 20555 -Z+1/2,X+1/2,-Y+1/2 +REMARK 290 21555 Y+1/2,Z+1/2,X+1/2 +REMARK 290 22555 -Y+1/2,Z+1/2,-X+1/2 +REMARK 290 23555 Y+1/2,-Z+1/2,-X+1/2 +REMARK 290 24555 -Y+1/2,-Z+1/2,X+1/2 +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 SMTRY1 5 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY2 5 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY3 5 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY1 6 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY2 6 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY3 6 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY1 7 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 SMTRY2 7 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY3 7 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY1 8 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 SMTRY2 8 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY3 8 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY1 9 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY2 9 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY3 9 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY1 10 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY2 10 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY3 10 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY1 11 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY2 11 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 SMTRY3 11 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY1 12 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY2 12 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 SMTRY3 12 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY1 13 1.000000 0.000000 0.000000 71.85700 +REMARK 290 SMTRY2 13 0.000000 1.000000 0.000000 71.85700 +REMARK 290 SMTRY3 13 0.000000 0.000000 1.000000 71.85700 +REMARK 290 SMTRY1 14 -1.000000 0.000000 0.000000 71.85700 +REMARK 290 SMTRY2 14 0.000000 -1.000000 0.000000 71.85700 +REMARK 290 SMTRY3 14 0.000000 0.000000 1.000000 71.85700 +REMARK 290 SMTRY1 15 -1.000000 0.000000 0.000000 71.85700 +REMARK 290 SMTRY2 15 0.000000 1.000000 0.000000 71.85700 +REMARK 290 SMTRY3 15 0.000000 0.000000 -1.000000 71.85700 +REMARK 290 SMTRY1 16 1.000000 0.000000 0.000000 71.85700 +REMARK 290 SMTRY2 16 0.000000 -1.000000 0.000000 71.85700 +REMARK 290 SMTRY3 16 0.000000 0.000000 -1.000000 71.85700 +REMARK 290 SMTRY1 17 0.000000 0.000000 1.000000 71.85700 +REMARK 290 SMTRY2 17 1.000000 0.000000 0.000000 71.85700 +REMARK 290 SMTRY3 17 0.000000 1.000000 0.000000 71.85700 +REMARK 290 SMTRY1 18 0.000000 0.000000 1.000000 71.85700 +REMARK 290 SMTRY2 18 -1.000000 0.000000 0.000000 71.85700 +REMARK 290 SMTRY3 18 0.000000 -1.000000 0.000000 71.85700 +REMARK 290 SMTRY1 19 0.000000 0.000000 -1.000000 71.85700 +REMARK 290 SMTRY2 19 -1.000000 0.000000 0.000000 71.85700 +REMARK 290 SMTRY3 19 0.000000 1.000000 0.000000 71.85700 +REMARK 290 SMTRY1 20 0.000000 0.000000 -1.000000 71.85700 +REMARK 290 SMTRY2 20 1.000000 0.000000 0.000000 71.85700 +REMARK 290 SMTRY3 20 0.000000 -1.000000 0.000000 71.85700 +REMARK 290 SMTRY1 21 0.000000 1.000000 0.000000 71.85700 +REMARK 290 SMTRY2 21 0.000000 0.000000 1.000000 71.85700 +REMARK 290 SMTRY3 21 1.000000 0.000000 0.000000 71.85700 +REMARK 290 SMTRY1 22 0.000000 -1.000000 0.000000 71.85700 +REMARK 290 SMTRY2 22 0.000000 0.000000 1.000000 71.85700 +REMARK 290 SMTRY3 22 -1.000000 0.000000 0.000000 71.85700 +REMARK 290 SMTRY1 23 0.000000 1.000000 0.000000 71.85700 +REMARK 290 SMTRY2 23 0.000000 0.000000 -1.000000 71.85700 +REMARK 290 SMTRY3 23 -1.000000 0.000000 0.000000 71.85700 +REMARK 290 SMTRY1 24 0.000000 -1.000000 0.000000 71.85700 +REMARK 290 SMTRY2 24 0.000000 0.000000 -1.000000 71.85700 +REMARK 290 SMTRY3 24 1.000000 0.000000 0.000000 71.85700 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 375 +REMARK 375 SPECIAL POSITION +REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS +REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL +REMARK 375 POSITIONS. +REMARK 375 +REMARK 375 ATOM RES CSSEQI +REMARK 375 HOH A1241 LIES ON A SPECIAL POSITION. +REMARK 465 +REMARK 465 MISSING RESIDUES +REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE +REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) +REMARK 465 +REMARK 465 M RES C SSSEQI +REMARK 465 GLY A 693 +REMARK 465 GLY A 721 +REMARK 465 ALA A 722 +REMARK 465 PHE A 723 +REMARK 465 LEU A 747 +REMARK 465 ARG A 748 +REMARK 465 GLU A 749 +REMARK 465 ALA A 750 +REMARK 465 THR A 751 +REMARK 465 GLU A 985 +REMARK 465 ARG A 986 +REMARK 465 MET A 987 +REMARK 465 HIS A 988 +REMARK 465 LEU A 989 +REMARK 465 PRO A 990 +REMARK 465 SER A 991 +REMARK 465 PRO A 992 +REMARK 465 THR A 993 +REMARK 465 ASP A 994 +REMARK 465 SER A 995 +REMARK 465 ASN A 996 +REMARK 465 PHE A 997 +REMARK 465 TYR A 998 +REMARK 465 ARG A 999 +REMARK 465 ALA A 1000 +REMARK 465 LEU A 1001 +REMARK 465 MET A 1002 +REMARK 465 ASP A 1003 +REMARK 465 GLU A 1004 +REMARK 465 GLU A 1005 +REMARK 465 ASP A 1006 +REMARK 465 GLN A 1021 +REMARK 465 GLY A 1022 +REMARK 470 +REMARK 470 MISSING ATOM +REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; +REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; +REMARK 470 I=INSERTION CODE): +REMARK 470 M RES CSSEQI ATOMS +REMARK 470 LYS A 713 CG CD CE NZ +REMARK 470 LYS A 716 CG CD CE NZ +REMARK 470 SER A 720 OG +REMARK 470 GLU A 734 CG CD OE1 OE2 +REMARK 470 GLU A 736 CG CD OE1 OE2 +REMARK 470 LYS A 737 CG CD CE NZ +REMARK 470 LYS A 754 CG CD CE NZ +REMARK 470 ASN A 756 CG OD1 ND2 +REMARK 470 LYS A 757 CG CD CE NZ +REMARK 470 GLU A 758 CG CD OE1 OE2 +REMARK 470 SER A 784 OG +REMARK 470 THR A 785 OG1 CG2 +REMARK 470 GLU A 804 CG CD OE1 OE2 +REMARK 470 LYS A 867 CG CD CE NZ +REMARK 470 GLU A 872 CG CD OE1 OE2 +REMARK 470 LYS A 875 CG CD CE NZ +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: COVALENT BOND ANGLES +REMARK 500 +REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES +REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE +REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) +REMARK 500 +REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 +REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 +REMARK 500 +REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 +REMARK 500 ARG A 836 NE - CZ - NH1 ANGL. DEV. = 3.1 DEGREES +REMARK 500 ARG A 841 NE - CZ - NH2 ANGL. DEV. = 3.1 DEGREES +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 ILE A 715 -49.83 -131.65 +REMARK 500 GLU A 734 -130.11 25.41 +REMARK 500 ASP A 837 36.95 -147.23 +REMARK 500 ASP A 855 82.01 56.09 +REMARK 500 ASP A 855 77.93 60.80 +REMARK 500 GLU A 865 59.75 -119.99 +REMARK 500 GLU A 872 -149.60 -88.93 +REMARK 500 PRO A 877 99.96 -65.00 +REMARK 500 PRO A1019 152.65 -49.95 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 620 +REMARK 620 METAL COORDINATION +REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 NA A1102 NA +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 GLN A 976 OE1 +REMARK 620 2 HOH A1205 O 111.4 +REMARK 620 3 HOH A1226 O 94.1 83.0 +REMARK 620 4 HOH A1227 O 112.5 135.9 97.8 +REMARK 620 5 HOH A1266 O 99.8 81.4 162.1 87.4 +REMARK 620 N 1 2 3 4 +REMARK 800 +REMARK 800 SITE +REMARK 800 SITE_IDENTIFIER: AC1 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: binding site for residue IRE A 1101 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC2 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: binding site for residue NA A 1102 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC3 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: binding site for residue MES A 1103 +REMARK 900 +REMARK 900 RELATED ENTRIES +REMARK 900 RELATED ID: 2ITY RELATED DB: PDB +REMARK 900 2ITY CONTAINS SAME PROTEIN AND GEFITINIB (IRESSA) LIGAND BUT +REMARK 900 RESOLUTION IS 3.4 ANGSTROM +DBREF 4WKQ A 696 1022 UNP P00533 EGFR_HUMAN 696 1022 +SEQADV 4WKQ GLY A 693 UNP P00533 EXPRESSION TAG +SEQADV 4WKQ ALA A 694 UNP P00533 EXPRESSION TAG +SEQADV 4WKQ MET A 695 UNP P00533 EXPRESSION TAG +SEQRES 1 A 330 GLY ALA MET GLY GLU ALA PRO ASN GLN ALA LEU LEU ARG +SEQRES 2 A 330 ILE LEU LYS GLU THR GLU PHE LYS LYS ILE LYS VAL LEU +SEQRES 3 A 330 GLY SER GLY ALA PHE GLY THR VAL TYR LYS GLY LEU TRP +SEQRES 4 A 330 ILE PRO GLU GLY GLU LYS VAL LYS ILE PRO VAL ALA ILE +SEQRES 5 A 330 LYS GLU LEU ARG GLU ALA THR SER PRO LYS ALA ASN LYS +SEQRES 6 A 330 GLU ILE LEU ASP GLU ALA TYR VAL MET ALA SER VAL ASP +SEQRES 7 A 330 ASN PRO HIS VAL CYS ARG LEU LEU GLY ILE CYS LEU THR +SEQRES 8 A 330 SER THR VAL GLN LEU ILE THR GLN LEU MET PRO PHE GLY +SEQRES 9 A 330 CSX LEU LEU ASP TYR VAL ARG GLU HIS LYS ASP ASN ILE +SEQRES 10 A 330 GLY SER GLN TYR LEU LEU ASN TRP CYS VAL GLN ILE ALA +SEQRES 11 A 330 LYS GLY MET ASN TYR LEU GLU ASP ARG ARG LEU VAL HIS +SEQRES 12 A 330 ARG ASP LEU ALA ALA ARG ASN VAL LEU VAL LYS THR PRO +SEQRES 13 A 330 GLN HIS VAL LYS ILE THR ASP PHE GLY LEU ALA LYS LEU +SEQRES 14 A 330 LEU GLY ALA GLU GLU LYS GLU TYR HIS ALA GLU GLY GLY +SEQRES 15 A 330 LYS VAL PRO ILE LYS TRP MET ALA LEU GLU SER ILE LEU +SEQRES 16 A 330 HIS ARG ILE TYR THR HIS GLN SER ASP VAL TRP SER TYR +SEQRES 17 A 330 GLY VAL THR VAL TRP GLU LEU MET THR PHE GLY SER LYS +SEQRES 18 A 330 PRO TYR ASP GLY ILE PRO ALA SER GLU ILE SER SER ILE +SEQRES 19 A 330 LEU GLU LYS GLY GLU ARG LEU PRO GLN PRO PRO ILE CYS +SEQRES 20 A 330 THR ILE ASP VAL TYR MET ILE MET VAL LYS CYS TRP MET +SEQRES 21 A 330 ILE ASP ALA ASP SER ARG PRO LYS PHE ARG GLU LEU ILE +SEQRES 22 A 330 ILE GLU PHE SER LYS MET ALA ARG ASP PRO GLN ARG TYR +SEQRES 23 A 330 LEU VAL ILE GLN GLY ASP GLU ARG MET HIS LEU PRO SER +SEQRES 24 A 330 PRO THR ASP SER ASN PHE TYR ARG ALA LEU MET ASP GLU +SEQRES 25 A 330 GLU ASP MET ASP ASP VAL VAL ASP ALA ASP GLU TYR LEU +SEQRES 26 A 330 ILE PRO GLN GLN GLY +MODRES 4WKQ CSX A 797 CYS MODIFIED RESIDUE +HET CSX A 797 7 +HET IRE A1101 31 +HET NA A1102 1 +HET MES A1103 12 +HETNAM CSX S-OXY CYSTEINE +HETNAM IRE GEFITINIB +HETNAM NA SODIUM ION +HETNAM MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID +FORMUL 1 CSX C3 H7 N O3 S +FORMUL 2 IRE C22 H24 CL F N4 O3 +FORMUL 3 NA NA 1+ +FORMUL 4 MES C6 H13 N O4 S +FORMUL 5 HOH *121(H2 O) +HELIX 1 AA1 LYS A 708 THR A 710 5 3 +HELIX 2 AA2 PRO A 753 SER A 768 1 16 +HELIX 3 AA3 CSX A 797 HIS A 805 1 9 +HELIX 4 AA4 LYS A 806 ILE A 809 5 4 +HELIX 5 AA5 GLY A 810 ARG A 831 1 22 +HELIX 6 AA6 ALA A 839 ARG A 841 5 3 +HELIX 7 AA7 PRO A 877 MET A 881 5 5 +HELIX 8 AA8 ALA A 882 ARG A 889 1 8 +HELIX 9 AA9 THR A 892 THR A 909 1 18 +HELIX 10 AB1 PRO A 919 SER A 921 5 3 +HELIX 11 AB2 GLU A 922 LYS A 929 1 8 +HELIX 12 AB3 THR A 940 CYS A 950 1 11 +HELIX 13 AB4 ASP A 954 ARG A 958 5 5 +HELIX 14 AB5 LYS A 960 ARG A 973 1 14 +HELIX 15 AB6 ASP A 974 LEU A 979 1 6 +HELIX 16 AB7 ASP A 1012 TYR A 1016 5 5 +SHEET 1 AA1 5 PHE A 712 GLY A 719 0 +SHEET 2 AA1 5 VAL A 726 TRP A 731 -1 O VAL A 726 N LEU A 718 +SHEET 3 AA1 5 ILE A 740 LYS A 745 -1 O ILE A 740 N TRP A 731 +SHEET 4 AA1 5 VAL A 786 GLN A 791 -1 O LEU A 788 N LYS A 745 +SHEET 5 AA1 5 LEU A 777 LEU A 782 -1 N CYS A 781 O GLN A 787 +SHEET 1 AA2 2 LEU A 833 VAL A 834 0 +SHEET 2 AA2 2 LYS A 860 LEU A 861 -1 O LYS A 860 N VAL A 834 +SHEET 1 AA3 2 VAL A 843 THR A 847 0 +SHEET 2 AA3 2 HIS A 850 ILE A 853 -1 O LYS A 852 N LEU A 844 +SHEET 1 AA4 2 TYR A 869 HIS A 870 0 +SHEET 2 AA4 2 ILE A 890 TYR A 891 -1 O TYR A 891 N TYR A 869 +LINK C GLY A 796 N CSX A 797 1555 1555 1.33 +LINK C CSX A 797 N LEU A 798 1555 1555 1.32 +LINK OE1 GLN A 976 NA NA A1102 1555 1555 2.32 +LINK NA NA A1102 O HOH A1205 1555 1555 2.24 +LINK NA NA A1102 O HOH A1226 1555 4585 2.45 +LINK NA NA A1102 O HOH A1227 1555 1555 2.40 +LINK NA NA A1102 O HOH A1266 1555 1555 2.46 +SITE 1 AC1 16 LEU A 718 ALA A 743 LYS A 745 GLU A 762 +SITE 2 AC1 16 MET A 766 LEU A 788 THR A 790 GLN A 791 +SITE 3 AC1 16 MET A 793 PRO A 794 GLY A 796 CSX A 797 +SITE 4 AC1 16 ASP A 800 LEU A 844 THR A 854 HOH A1320 +SITE 1 AC2 4 GLN A 976 HOH A1205 HOH A1227 HOH A1266 +SITE 1 AC3 5 ARG A 841 PRO A 877 ILE A 878 LYS A 879 +SITE 2 AC3 5 ALA A 920 +CRYST1 143.714 143.714 143.714 90.00 90.00 90.00 I 2 3 24 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.006958 0.000000 0.000000 0.00000 +SCALE2 0.000000 0.006958 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.006958 0.00000 +ATOM 1 N ALA A 694 15.538 216.263 50.657 1.00 50.95 N +ATOM 2 CA ALA A 694 14.386 216.765 51.468 1.00 43.81 C +ATOM 3 C ALA A 694 13.036 216.837 50.734 1.00 37.00 C +ATOM 4 O ALA A 694 12.042 216.989 51.404 1.00 36.14 O +ATOM 5 CB ALA A 694 14.722 218.100 52.080 1.00 48.10 C +ATOM 6 N MET A 695 12.978 216.706 49.406 1.00 32.42 N +ATOM 7 CA AMET A 695 11.693 216.695 48.683 0.50 36.73 C +ATOM 8 CA BMET A 695 11.682 216.737 48.705 0.50 35.93 C +ATOM 9 C MET A 695 10.919 215.459 49.073 1.00 36.84 C +ATOM 10 O MET A 695 11.504 214.390 49.171 1.00 35.90 O +ATOM 11 CB AMET A 695 11.889 216.627 47.177 0.50 38.17 C +ATOM 12 CB BMET A 695 11.849 216.870 47.180 0.50 36.17 C +ATOM 13 CG AMET A 695 12.440 217.886 46.569 0.50 39.56 C +ATOM 14 CG BMET A 695 10.594 217.315 46.419 0.50 36.90 C +ATOM 15 SD AMET A 695 12.243 217.905 44.784 0.50 45.90 S +ATOM 16 SD BMET A 695 10.744 217.033 44.624 0.50 40.27 S +ATOM 17 CE AMET A 695 10.450 217.994 44.658 0.50 45.78 C +ATOM 18 CE BMET A 695 11.129 218.658 43.971 0.50 42.14 C +ATOM 19 N GLY A 696 9.622 215.598 49.307 1.00 33.11 N +ATOM 20 CA GLY A 696 8.770 214.429 49.624 1.00 33.61 C +ATOM 21 C GLY A 696 8.095 213.879 48.365 1.00 33.73 C +ATOM 22 O GLY A 696 8.479 214.269 47.219 1.00 32.91 O +ATOM 23 N GLU A 697 7.002 213.124 48.562 1.00 47.33 N +ANISOU 23 N GLU A 697 5517 8762 3702 -622 629 -1453 N +ATOM 24 CA GLU A 697 6.294 212.516 47.438 1.00 44.89 C +ANISOU 24 CA GLU A 697 5260 8189 3608 -524 633 -1273 C +ATOM 25 C GLU A 697 4.857 212.985 47.385 1.00 39.35 C +ANISOU 25 C GLU A 697 4566 7374 3011 -493 751 -1373 C +ATOM 26 O GLU A 697 4.221 213.099 48.397 1.00 40.36 O +ANISOU 26 O GLU A 697 4655 7684 2994 -523 829 -1457 O +ATOM 27 CB GLU A 697 6.307 210.995 47.635 1.00 46.21 C +ANISOU 27 CB GLU A 697 5419 8467 3669 -483 586 -977 C +ATOM 28 CG GLU A 697 7.689 210.419 47.917 1.00 47.09 C +ANISOU 28 CG GLU A 697 5501 8750 3638 -492 479 -846 C +ATOM 29 CD GLU A 697 8.493 210.372 46.669 1.00 47.13 C +ANISOU 29 CD GLU A 697 5546 8530 3829 -449 405 -782 C +ATOM 30 OE1 GLU A 697 7.909 210.496 45.575 1.00 44.48 O +ANISOU 30 OE1 GLU A 697 5268 7915 3715 -404 430 -781 O +ATOM 31 OE2 GLU A 697 9.722 210.197 46.794 1.00 54.59 O +ANISOU 31 OE2 GLU A 697 6454 9600 4685 -458 320 -727 O +ATOM 32 N ALA A 698 4.331 213.173 46.194 1.00 35.81 N +ANISOU 32 N ALA A 698 4156 6647 2803 -425 764 -1343 N +ATOM 33 CA ALA A 698 2.936 213.627 46.020 1.00 37.07 C +ANISOU 33 CA ALA A 698 4304 6700 3081 -375 873 -1416 C +ATOM 34 C ALA A 698 2.010 212.403 45.710 1.00 34.92 C +ANISOU 34 C ALA A 698 4019 6421 2828 -334 873 -1185 C +ATOM 35 O ALA A 698 2.464 211.406 45.114 1.00 31.85 O +ANISOU 35 O ALA A 698 3660 5978 2462 -323 789 -985 O +ATOM 36 CB ALA A 698 2.883 214.570 44.828 1.00 37.71 C +ANISOU 36 CB ALA A 698 4420 6493 3414 -319 885 -1498 C +ATOM 37 N PRO A 699 0.721 212.527 45.987 1.00 35.14 N +ANISOU 37 N PRO A 699 4002 6476 2871 -310 972 -1223 N +ATOM 38 CA PRO A 699 -0.204 211.404 45.712 1.00 35.07 C +ANISOU 38 CA PRO A 699 3972 6470 2882 -297 981 -1022 C +ATOM 39 C PRO A 699 -0.332 211.101 44.254 1.00 35.33 C +ANISOU 39 C PRO A 699 4034 6270 3120 -251 923 -909 C +ATOM 40 O PRO A 699 -0.152 211.988 43.419 1.00 34.54 O +ANISOU 40 O PRO A 699 3950 5998 3175 -203 909 -1000 O +ATOM 41 CB PRO A 699 -1.529 211.848 46.289 1.00 36.90 C +ANISOU 41 CB PRO A 699 4131 6788 3099 -281 1107 -1125 C +ATOM 42 CG PRO A 699 -1.335 213.217 46.784 1.00 38.80 C +ANISOU 42 CG PRO A 699 4368 7040 3334 -271 1174 -1383 C +ATOM 43 CD PRO A 699 0.086 213.642 46.678 1.00 36.86 C +ANISOU 43 CD PRO A 699 4182 6748 3072 -305 1091 -1455 C +ATOM 44 N ASN A 700 -0.556 209.824 43.928 1.00 34.25 N +ANISOU 44 N ASN A 700 3909 6125 2979 -273 890 -706 N +ATOM 45 CA ASN A 700 -0.839 209.419 42.585 1.00 32.23 C +ANISOU 45 CA ASN A 700 3671 5680 2893 -249 845 -607 C +ATOM 46 C ASN A 700 -2.345 209.180 42.503 1.00 34.61 C +ANISOU 46 C ASN A 700 3898 6014 3238 -255 920 -581 C +ATOM 47 O ASN A 700 -2.876 208.189 43.041 1.00 34.29 O +ANISOU 47 O ASN A 700 3839 6080 3109 -315 956 -467 O +ATOM 48 CB ASN A 700 -0.087 208.144 42.226 1.00 33.44 C +ANISOU 48 CB ASN A 700 3892 5786 3026 -280 773 -420 C +ATOM 49 CG ASN A 700 -0.304 207.740 40.773 1.00 32.11 C +ANISOU 49 CG ASN A 700 3749 5423 3025 -268 728 -346 C +ATOM 50 OD1 ASN A 700 -1.218 208.254 40.106 1.00 32.93 O +ANISOU 50 OD1 ASN A 700 3803 5469 3240 -245 751 -402 O +ATOM 51 ND2 ASN A 700 0.514 206.818 40.272 1.00 31.30 N +ANISOU 51 ND2 ASN A 700 3719 5236 2937 -279 669 -219 N +ATOM 52 N GLN A 701 -3.071 210.098 41.888 1.00 33.67 N +ANISOU 52 N GLN A 701 3725 5817 3250 -193 951 -677 N +ATOM 53 CA GLN A 701 -4.521 210.001 41.934 1.00 35.06 C +ANISOU 53 CA GLN A 701 3801 6068 3453 -192 1028 -666 C +ATOM 54 C GLN A 701 -5.083 209.420 40.637 1.00 33.70 C +ANISOU 54 C GLN A 701 3603 5792 3407 -202 979 -554 C +ATOM 55 O GLN A 701 -6.280 209.550 40.393 1.00 35.51 O +ANISOU 55 O GLN A 701 3728 6073 3691 -186 1027 -556 O +ATOM 56 CB GLN A 701 -5.176 211.350 42.251 1.00 36.00 C +ANISOU 56 CB GLN A 701 3846 6211 3621 -105 1120 -837 C +ATOM 57 CG GLN A 701 -4.969 211.837 43.673 1.00 38.91 C +ANISOU 57 CG GLN A 701 4215 6730 3838 -120 1200 -973 C +ATOM 58 CD GLN A 701 -5.495 213.250 43.867 1.00 39.12 C +ANISOU 58 CD GLN A 701 4190 6727 3944 -25 1303 -1165 C +ATOM 59 OE1 GLN A 701 -4.948 214.212 43.337 1.00 42.74 O +ANISOU 59 OE1 GLN A 701 4693 7023 4522 36 1290 -1261 O +ATOM 60 NE2 GLN A 701 -6.535 213.358 44.540 1.00 40.32 N +ANISOU 60 NE2 GLN A 701 4253 7017 4048 -10 1410 -1211 N +ATOM 61 N ALA A 702 -4.269 208.704 39.888 1.00 34.48 N +ANISOU 61 N ALA A 702 3787 5777 3536 -236 890 -458 N +ATOM 62 CA ALA A 702 -4.743 208.003 38.677 1.00 33.35 C +ANISOU 62 CA ALA A 702 3629 5552 3488 -273 844 -363 C +ATOM 63 C ALA A 702 -5.914 207.122 39.020 1.00 35.60 C +ANISOU 63 C ALA A 702 3839 5954 3731 -363 905 -294 C +ATOM 64 O ALA A 702 -6.024 206.629 40.146 1.00 32.98 O +ANISOU 64 O ALA A 702 3512 5735 3284 -415 965 -262 O +ATOM 65 CB ALA A 702 -3.634 207.195 38.042 1.00 33.28 C +ANISOU 65 CB ALA A 702 3735 5416 3493 -309 762 -277 C +ATOM 66 N LEU A 703 -6.843 206.990 38.069 1.00 35.34 N +ANISOU 66 N LEU A 703 3724 5918 3785 -384 893 -272 N +ATOM 67 CA LEU A 703 -8.025 206.159 38.253 1.00 37.30 C +ANISOU 67 CA LEU A 703 3883 6281 4006 -490 949 -214 C +ATOM 68 C LEU A 703 -7.805 204.869 37.498 1.00 36.03 C +ANISOU 68 C LEU A 703 3796 6022 3872 -613 904 -118 C +ATOM 69 O LEU A 703 -7.456 204.884 36.335 1.00 38.47 O +ANISOU 69 O LEU A 703 4135 6222 4257 -603 828 -121 O +ATOM 70 CB LEU A 703 -9.289 206.839 37.733 1.00 39.59 C +ANISOU 70 CB LEU A 703 4006 6669 4364 -445 970 -258 C +ATOM 71 CG LEU A 703 -9.793 208.095 38.420 1.00 43.00 C +ANISOU 71 CG LEU A 703 4344 7197 4796 -317 1045 -356 C +ATOM 72 CD1 LEU A 703 -11.132 208.481 37.765 1.00 45.37 C +ANISOU 72 CD1 LEU A 703 4461 7605 5170 -279 1064 -354 C +ATOM 73 CD2 LEU A 703 -9.992 207.919 39.938 1.00 42.93 C +ANISOU 73 CD2 LEU A 703 4329 7323 4659 -352 1147 -379 C +ATOM 74 N LEU A 704 -7.977 203.744 38.170 1.00 38.00 N +ANISOU 74 N LEU A 704 4080 6301 4057 -731 961 -32 N +ATOM 75 CA LEU A 704 -7.821 202.435 37.548 1.00 37.39 C +ANISOU 75 CA LEU A 704 4084 6105 4017 -859 948 52 C +ATOM 76 C LEU A 704 -9.184 201.958 37.129 1.00 37.98 C +ANISOU 76 C LEU A 704 4036 6270 4122 -989 985 53 C +ATOM 77 O LEU A 704 -10.050 201.751 37.968 1.00 35.69 O +ANISOU 77 O LEU A 704 3662 6119 3778 -1050 1070 77 O +ATOM 78 CB LEU A 704 -7.251 201.457 38.537 1.00 40.30 C +ANISOU 78 CB LEU A 704 4562 6440 4311 -913 1005 164 C +ATOM 79 CG LEU A 704 -6.973 200.043 38.018 1.00 41.34 C +ANISOU 79 CG LEU A 704 4804 6407 4496 -1034 1019 260 C +ATOM 80 CD1 LEU A 704 -6.034 200.066 36.849 1.00 39.73 C +ANISOU 80 CD1 LEU A 704 4690 6031 4372 -987 930 228 C +ATOM 81 CD2 LEU A 704 -6.401 199.246 39.179 1.00 44.34 C +ANISOU 81 CD2 LEU A 704 5279 6771 4794 -1046 1088 399 C +ATOM 82 N ARG A 705 -9.405 201.813 35.831 1.00 36.80 N +ANISOU 82 N ARG A 705 3861 6069 4049 -1036 922 21 N +ATOM 83 CA ARG A 705 -10.761 201.476 35.381 1.00 40.30 C +ANISOU 83 CA ARG A 705 4155 6643 4510 -1165 946 5 C +ATOM 84 C ARG A 705 -10.882 199.963 35.197 1.00 38.73 C +ANISOU 84 C ARG A 705 4035 6350 4328 -1374 991 59 C +ATOM 85 O ARG A 705 -9.994 199.341 34.626 1.00 38.26 O +ANISOU 85 O ARG A 705 4123 6104 4309 -1402 960 73 O +ATOM 86 CB ARG A 705 -11.074 202.196 34.066 1.00 43.09 C +ANISOU 86 CB ARG A 705 4409 7042 4920 -1112 853 -59 C +ATOM 87 CG ARG A 705 -12.580 202.181 33.786 1.00 47.84 C +ANISOU 87 CG ARG A 705 4800 7858 5518 -1204 874 -77 C +ATOM 88 CD ARG A 705 -12.876 202.773 32.412 1.00 50.89 C +ANISOU 88 CD ARG A 705 5080 8311 5942 -1158 774 -116 C +ATOM 89 NE ARG A 705 -14.309 202.695 32.092 1.00 52.55 N +ANISOU 89 NE ARG A 705 5068 8758 6138 -1253 784 -125 N +ATOM 90 CZ ARG A 705 -14.908 203.408 31.139 1.00 57.29 C +ANISOU 90 CZ ARG A 705 5504 9513 6751 -1184 712 -137 C +ATOM 91 NH1 ARG A 705 -14.217 204.287 30.419 1.00 60.86 N +ANISOU 91 NH1 ARG A 705 5996 9890 7236 -1015 633 -136 N +ATOM 92 NH2 ARG A 705 -16.205 203.254 30.893 1.00 61.57 N +ANISOU 92 NH2 ARG A 705 5826 10296 7268 -1281 720 -137 N +ATOM 93 N ILE A 706 -11.941 199.406 35.732 1.00 40.04 N +ANISOU 93 N ILE A 706 4107 6637 4470 -1513 1077 88 N +ATOM 94 CA ILE A 706 -12.188 197.983 35.698 1.00 42.91 C +ANISOU 94 CA ILE A 706 4538 6906 4857 -1730 1149 139 C +ATOM 95 C ILE A 706 -13.216 197.754 34.597 1.00 43.76 C +ANISOU 95 C ILE A 706 4508 7115 5004 -1886 1117 58 C +ATOM 96 O ILE A 706 -14.341 198.206 34.737 1.00 43.74 O +ANISOU 96 O ILE A 706 4308 7338 4972 -1909 1131 33 O +ATOM 97 CB ILE A 706 -12.814 197.457 36.998 1.00 45.50 C +ANISOU 97 CB ILE A 706 4834 7324 5130 -1818 1276 228 C +ATOM 98 CG1 ILE A 706 -11.969 197.776 38.238 1.00 46.00 C +ANISOU 98 CG1 ILE A 706 4991 7368 5115 -1667 1310 309 C +ATOM 99 CG2 ILE A 706 -13.080 195.956 36.886 1.00 48.05 C +ANISOU 99 CG2 ILE A 706 5238 7516 5503 -2057 1365 286 C +ATOM 100 CD1 ILE A 706 -10.518 197.460 38.112 1.00 45.87 C +ANISOU 100 CD1 ILE A 706 5176 7132 5121 -1584 1269 359 C +ATOM 101 N LEU A 707 -12.834 197.056 33.535 1.00 41.90 N +ANISOU 101 N LEU A 707 4366 6730 4823 -1992 1079 15 N +ATOM 102 CA LEU A 707 -13.752 196.767 32.440 1.00 45.55 C +ANISOU 102 CA LEU A 707 4699 7306 5302 -2166 1043 -75 C +ATOM 103 C LEU A 707 -14.389 195.408 32.599 1.00 48.59 C +ANISOU 103 C LEU A 707 5105 7640 5714 -2445 1153 -68 C +ATOM 104 O LEU A 707 -13.726 194.473 32.995 1.00 49.61 O +ANISOU 104 O LEU A 707 5426 7535 5887 -2505 1234 -8 O +ATOM 105 CB LEU A 707 -12.985 196.822 31.129 1.00 45.86 C +ANISOU 105 CB LEU A 707 4822 7229 5370 -2135 943 -149 C +ATOM 106 CG LEU A 707 -12.234 198.131 30.947 1.00 47.53 C +ANISOU 106 CG LEU A 707 5035 7454 5568 -1868 845 -145 C +ATOM 107 CD1 LEU A 707 -11.630 198.139 29.571 1.00 48.87 C +ANISOU 107 CD1 LEU A 707 5263 7547 5756 -1864 752 -215 C +ATOM 108 CD2 LEU A 707 -13.137 199.347 31.156 1.00 48.81 C +ANISOU 108 CD2 LEU A 707 4976 7875 5693 -1745 811 -146 C +ATOM 109 N LYS A 708 -15.675 195.312 32.301 1.00 51.25 N +ANISOU 109 N LYS A 708 5241 8199 6031 -2611 1160 -123 N +ATOM 110 CA LYS A 708 -16.390 194.037 32.264 1.00 56.68 C +ANISOU 110 CA LYS A 708 5927 8855 6752 -2919 1262 -146 C +ATOM 111 C LYS A 708 -16.042 193.268 31.009 1.00 57.75 C +ANISOU 111 C LYS A 708 6167 8837 6936 -3082 1230 -260 C +ATOM 112 O LYS A 708 -15.934 193.863 29.936 1.00 53.61 O +ANISOU 112 O LYS A 708 5576 8409 6383 -3018 1105 -348 O +ATOM 113 CB LYS A 708 -17.885 194.284 32.274 1.00 61.82 C +ANISOU 113 CB LYS A 708 6297 9835 7355 -3046 1267 -181 C +ATOM 114 CG LYS A 708 -18.344 195.061 33.482 1.00 65.82 C +ANISOU 114 CG LYS A 708 6680 10517 7809 -2890 1312 -87 C +ATOM 115 CD LYS A 708 -19.804 195.460 33.399 1.00 71.23 C +ANISOU 115 CD LYS A 708 7060 11556 8447 -2972 1308 -122 C +ATOM 116 CE LYS A 708 -20.079 196.528 34.455 1.00 74.36 C +ANISOU 116 CE LYS A 708 7341 12118 8793 -2740 1337 -51 C +ATOM 117 NZ LYS A 708 -21.526 196.594 34.819 1.00 79.18 N +ANISOU 117 NZ LYS A 708 7677 13043 9363 -2851 1398 -48 N +ATOM 118 N GLU A 709 -15.878 191.952 31.118 1.00 63.63 N +ANISOU 118 N GLU A 709 7074 9345 7754 -3292 1350 -259 N +ATOM 119 CA GLU A 709 -15.532 191.144 29.934 1.00 69.42 C +ANISOU 119 CA GLU A 709 7925 9908 8541 -3463 1343 -392 C +ATOM 120 C GLU A 709 -16.617 191.215 28.842 1.00 66.61 C +ANISOU 120 C GLU A 709 7350 9829 8130 -3669 1267 -553 C +ATOM 121 O GLU A 709 -16.307 191.174 27.659 1.00 67.41 O +ANISOU 121 O GLU A 709 7477 9917 8217 -3711 1188 -680 O +ATOM 122 CB GLU A 709 -15.193 189.674 30.268 1.00 76.31 C +ANISOU 122 CB GLU A 709 9023 10445 9526 -3656 1512 -365 C +ATOM 123 CG GLU A 709 -14.669 188.926 29.019 1.00 83.38 C +ANISOU 123 CG GLU A 709 10063 11134 10481 -3794 1512 -524 C +ATOM 124 CD GLU A 709 -13.537 187.930 29.272 1.00 85.54 C +ANISOU 124 CD GLU A 709 10636 10985 10877 -3769 1640 -459 C +ATOM 125 OE1 GLU A 709 -12.407 188.167 28.757 1.00 86.63 O +ANISOU 125 OE1 GLU A 709 10907 10980 11028 -3584 1580 -474 O +ATOM 126 OE2 GLU A 709 -13.783 186.910 29.963 1.00 85.08 O +ANISOU 126 OE2 GLU A 709 10676 10742 10907 -3931 1807 -385 O +ATOM 127 N THR A 710 -17.864 191.393 29.244 1.00 65.20 N +ANISOU 127 N THR A 710 6940 9927 7904 -3781 1284 -541 N +ATOM 128 CA THR A 710 -18.950 191.560 28.288 1.00 66.31 C +ANISOU 128 CA THR A 710 6829 10391 7972 -3958 1201 -672 C +ATOM 129 C THR A 710 -18.818 192.795 27.367 1.00 64.25 C +ANISOU 129 C THR A 710 6429 10356 7625 -3738 1018 -705 C +ATOM 130 O THR A 710 -19.439 192.817 26.316 1.00 62.15 O +ANISOU 130 O THR A 710 6000 10322 7292 -3880 934 -822 O +ATOM 131 CB THR A 710 -20.315 191.610 29.002 1.00 68.34 C +ANISOU 131 CB THR A 710 6838 10932 8194 -4087 1257 -629 C +ATOM 132 OG1 THR A 710 -20.284 192.614 30.026 1.00 68.16 O +ANISOU 132 OG1 THR A 710 6750 11003 8144 -3800 1251 -483 O +ATOM 133 CG2 THR A 710 -20.657 190.253 29.600 1.00 72.19 C +ANISOU 133 CG2 THR A 710 7430 11236 8762 -4392 1437 -627 C +ATOM 134 N GLU A 711 -18.014 193.802 27.746 1.00 60.48 N +ANISOU 134 N GLU A 711 6015 9817 7146 -3403 962 -601 N +ATOM 135 CA GLU A 711 -17.934 195.051 26.998 1.00 60.36 C +ANISOU 135 CA GLU A 711 5865 10004 7064 -3178 810 -602 C +ATOM 136 C GLU A 711 -17.009 194.962 25.792 1.00 61.39 C +ANISOU 136 C GLU A 711 6133 10005 7187 -3159 726 -689 C +ATOM 137 O GLU A 711 -17.004 195.871 24.965 1.00 59.89 O +ANISOU 137 O GLU A 711 5825 9997 6932 -3017 600 -695 O +ATOM 138 CB GLU A 711 -17.351 196.175 27.852 1.00 61.32 C +ANISOU 138 CB GLU A 711 6021 10077 7199 -2840 796 -473 C +ATOM 139 CG GLU A 711 -18.151 196.740 29.015 1.00 62.68 C +ANISOU 139 CG GLU A 711 6035 10422 7358 -2750 855 -382 C +ATOM 140 CD GLU A 711 -17.314 197.812 29.726 1.00 61.95 C +ANISOU 140 CD GLU A 711 6028 10227 7280 -2425 841 -294 C +ATOM 141 OE1 GLU A 711 -16.843 197.624 30.874 1.00 61.91 O +ANISOU 141 OE1 GLU A 711 6159 10065 7298 -2370 932 -225 O +ATOM 142 OE2 GLU A 711 -17.051 198.846 29.105 1.00 60.84 O +ANISOU 142 OE2 GLU A 711 5831 10158 7126 -2226 738 -293 O +ATOM 143 N PHE A 712 -16.165 193.940 25.694 1.00 61.90 N +ANISOU 143 N PHE A 712 6450 9751 7318 -3272 802 -741 N +ATOM 144 CA PHE A 712 -15.209 193.913 24.589 1.00 62.71 C +ANISOU 144 CA PHE A 712 6687 9728 7410 -3227 732 -823 C +ATOM 145 C PHE A 712 -15.160 192.533 23.950 1.00 69.07 C +ANISOU 145 C PHE A 712 7624 10369 8249 -3533 811 -977 C +ATOM 146 O PHE A 712 -15.385 191.525 24.626 1.00 72.76 O +ANISOU 146 O PHE A 712 8185 10665 8796 -3717 951 -978 O +ATOM 147 CB PHE A 712 -13.804 194.461 24.994 1.00 63.10 C +ANISOU 147 CB PHE A 712 6935 9529 7509 -2930 721 -720 C +ATOM 148 CG PHE A 712 -13.173 193.726 26.118 1.00 61.18 C +ANISOU 148 CG PHE A 712 6900 8982 7360 -2921 855 -638 C +ATOM 149 CD1 PHE A 712 -13.491 194.044 27.411 1.00 61.44 C +ANISOU 149 CD1 PHE A 712 6886 9054 7404 -2831 910 -513 C +ATOM 150 CD2 PHE A 712 -12.278 192.694 25.875 1.00 65.39 C +ANISOU 150 CD2 PHE A 712 7673 9203 7968 -3002 935 -682 C +ATOM 151 CE1 PHE A 712 -12.931 193.341 28.451 1.00 63.95 C +ANISOU 151 CE1 PHE A 712 7385 9123 7790 -2825 1032 -418 C +ATOM 152 CE2 PHE A 712 -11.703 191.974 26.911 1.00 63.87 C +ANISOU 152 CE2 PHE A 712 7665 8736 7864 -2982 1064 -579 C +ATOM 153 CZ PHE A 712 -12.029 192.298 28.202 1.00 65.25 C +ANISOU 153 CZ PHE A 712 7784 8972 8033 -2896 1108 -439 C +ATOM 154 N LYS A 713 -14.974 192.521 22.625 1.00 67.47 N +ANISOU 154 N LYS A 713 7407 10247 7979 -3600 726 -1111 N +ATOM 155 CA LYS A 713 -14.951 191.306 21.821 1.00 71.66 C +ANISOU 155 CA LYS A 713 8049 10654 8524 -3898 793 -1301 C +ATOM 156 C LYS A 713 -13.527 191.112 21.312 1.00 71.80 C +ANISOU 156 C LYS A 713 8319 10375 8586 -3769 804 -1334 C +ATOM 157 O LYS A 713 -12.939 192.036 20.725 1.00 71.12 O +ANISOU 157 O LYS A 713 8207 10382 8434 -3549 684 -1300 O +ATOM 158 CB LYS A 713 -15.937 191.420 20.648 1.00 71.13 C +ANISOU 158 CB LYS A 713 7740 10970 8313 -4103 686 -1452 C +ATOM 159 N LYS A 714 -12.943 189.941 21.564 1.00 71.85 N +ANISOU 159 N LYS A 714 8569 10017 8713 -3887 957 -1383 N +ATOM 160 CA LYS A 714 -11.689 189.573 20.900 1.00 71.03 C +ANISOU 160 CA LYS A 714 8691 9647 8650 -3813 985 -1453 C +ATOM 161 C LYS A 714 -11.971 189.344 19.424 1.00 72.12 C +ANISOU 161 C LYS A 714 8763 9958 8678 -4017 924 -1681 C +ATOM 162 O LYS A 714 -13.115 189.132 19.048 1.00 73.87 O +ANISOU 162 O LYS A 714 8806 10435 8822 -4271 900 -1796 O +ATOM 163 CB LYS A 714 -11.078 188.333 21.522 1.00 73.37 C +ANISOU 163 CB LYS A 714 9252 9512 9111 -3888 1179 -1443 C +ATOM 164 CG LYS A 714 -10.049 188.642 22.577 1.00 75.18 C +ANISOU 164 CG LYS A 714 9622 9517 9426 -3584 1212 -1224 C +ATOM 165 CD LYS A 714 -9.565 187.388 23.291 1.00 79.22 C +ANISOU 165 CD LYS A 714 10371 9626 10101 -3650 1413 -1173 C +ATOM 166 CE LYS A 714 -10.133 187.233 24.696 1.00 80.24 C +ANISOU 166 CE LYS A 714 10468 9738 10281 -3661 1494 -996 C +ATOM 167 NZ LYS A 714 -9.014 187.009 25.660 1.00 78.55 N +ANISOU 167 NZ LYS A 714 10446 9234 10164 -3429 1579 -797 N +ATOM 168 N ILE A 715 -10.944 189.423 18.593 1.00 69.59 N +ANISOU 168 N ILE A 715 8571 9532 8336 -3906 895 -1745 N +ATOM 169 CA ILE A 715 -11.103 189.179 17.156 1.00 75.30 C +ANISOU 169 CA ILE A 715 9248 10423 8938 -4095 844 -1971 C +ATOM 170 C ILE A 715 -10.057 188.229 16.625 1.00 75.01 C +ANISOU 170 C ILE A 715 9480 10037 8980 -4145 969 -2113 C +ATOM 171 O ILE A 715 -10.387 187.298 15.915 1.00 78.14 O +ANISOU 171 O ILE A 715 9922 10403 9363 -4439 1046 -2345 O +ATOM 172 CB ILE A 715 -11.010 190.455 16.278 1.00 75.07 C +ANISOU 172 CB ILE A 715 9044 10739 8738 -3909 649 -1931 C +ATOM 173 CG1 ILE A 715 -11.839 191.614 16.855 1.00 73.28 C +ANISOU 173 CG1 ILE A 715 8566 10823 8454 -3761 528 -1747 C +ATOM 174 CG2 ILE A 715 -11.444 190.128 14.844 1.00 78.24 C +ANISOU 174 CG2 ILE A 715 9355 11392 8980 -4159 595 -2169 C +ATOM 175 CD1 ILE A 715 -13.327 191.352 17.020 1.00 75.40 C +ANISOU 175 CD1 ILE A 715 8613 11363 8670 -4017 521 -1803 C +ATOM 176 N LYS A 716 -8.801 188.502 16.938 1.00 72.66 N +ANISOU 176 N LYS A 716 9348 9496 8762 -3859 989 -1984 N +ATOM 177 CA LYS A 716 -7.713 187.708 16.437 1.00 74.89 C +ANISOU 177 CA LYS A 716 9873 9457 9122 -3853 1106 -2096 C +ATOM 178 C LYS A 716 -6.539 187.841 17.390 1.00 73.41 C +ANISOU 178 C LYS A 716 9853 8963 9073 -3547 1165 -1881 C +ATOM 179 O LYS A 716 -6.441 188.806 18.148 1.00 71.78 O +ANISOU 179 O LYS A 716 9558 8861 8854 -3319 1072 -1674 O +ATOM 180 CB LYS A 716 -7.330 188.184 15.031 1.00 75.34 C +ANISOU 180 CB LYS A 716 9880 9724 9019 -3830 997 -2232 C +ATOM 181 N VAL A 717 -5.643 186.869 17.349 1.00 73.82 N +ANISOU 181 N VAL A 717 10145 8646 9255 -3543 1324 -1936 N +ATOM 182 CA VAL A 717 -4.412 186.919 18.126 1.00 72.69 C +ANISOU 182 CA VAL A 717 10157 8227 9232 -3250 1381 -1741 C +ATOM 183 C VAL A 717 -3.396 187.749 17.369 1.00 71.09 C +ANISOU 183 C VAL A 717 9948 8117 8944 -3023 1273 -1732 C +ATOM 184 O VAL A 717 -3.437 187.800 16.150 1.00 74.15 O +ANISOU 184 O VAL A 717 10301 8649 9222 -3125 1227 -1917 O +ATOM 185 CB VAL A 717 -3.859 185.496 18.360 1.00 75.05 C +ANISOU 185 CB VAL A 717 10711 8084 9718 -3323 1612 -1789 C +ATOM 186 CG1 VAL A 717 -2.548 185.530 19.135 1.00 72.50 C +ANISOU 186 CG1 VAL A 717 10530 7506 9508 -3004 1666 -1571 C +ATOM 187 CG2 VAL A 717 -4.895 184.646 19.075 1.00 76.29 C +ANISOU 187 CG2 VAL A 717 10878 8138 9967 -3571 1734 -1795 C +ATOM 188 N LEU A 718 -2.508 188.416 18.101 1.00 71.26 N +ANISOU 188 N LEU A 718 9993 8077 9003 -2727 1231 -1518 N +ATOM 189 CA LEU A 718 -1.405 189.185 17.534 1.00 72.73 C +ANISOU 189 CA LEU A 718 10186 8313 9133 -2496 1147 -1481 C +ATOM 190 C LEU A 718 -0.012 188.616 17.921 1.00 80.88 C +ANISOU 190 C LEU A 718 11420 9007 10302 -2303 1271 -1394 C +ATOM 191 O LEU A 718 1.004 189.036 17.358 1.00 90.15 O +ANISOU 191 O LEU A 718 12622 10184 11444 -2135 1233 -1389 O +ATOM 192 CB LEU A 718 -1.500 190.661 17.981 1.00 67.87 C +ANISOU 192 CB LEU A 718 9396 7960 8430 -2303 974 -1308 C +ATOM 193 CG LEU A 718 -2.668 191.536 17.500 1.00 66.08 C +ANISOU 193 CG LEU A 718 8943 8105 8057 -2401 827 -1350 C +ATOM 194 CD1 LEU A 718 -2.857 192.756 18.393 1.00 62.38 C +ANISOU 194 CD1 LEU A 718 8339 7791 7569 -2212 718 -1155 C +ATOM 195 CD2 LEU A 718 -2.427 191.985 16.068 1.00 66.51 C +ANISOU 195 CD2 LEU A 718 8944 8347 7979 -2409 739 -1471 C +ATOM 196 N GLY A 719 0.051 187.708 18.901 1.00 85.90 N +ANISOU 196 N GLY A 719 12181 9369 11085 -2312 1416 -1303 N +ATOM 197 CA GLY A 719 1.306 187.009 19.242 1.00 89.35 C +ANISOU 197 CA GLY A 719 12806 9479 11662 -2136 1554 -1213 C +ATOM 198 C GLY A 719 1.228 186.322 20.600 1.00 90.29 C +ANISOU 198 C GLY A 719 13009 9377 11918 -2106 1674 -1028 C +ATOM 199 O GLY A 719 0.987 186.993 21.591 1.00 84.89 O +ANISOU 199 O GLY A 719 12224 8832 11198 -2011 1589 -851 O +ATOM 200 N SER A 720 1.417 184.992 20.644 1.00 94.17 N +ANISOU 200 N SER A 720 13686 9527 12565 -2186 1879 -1068 N +ATOM 201 CA SER A 720 1.297 184.187 21.886 1.00 90.03 C +ANISOU 201 CA SER A 720 13258 8766 12182 -2174 2022 -880 C +ATOM 202 C SER A 720 2.660 183.819 22.472 1.00 87.73 C +ANISOU 202 C SER A 720 13097 8231 12004 -1887 2115 -676 C +ATOM 203 O SER A 720 3.564 184.655 22.527 1.00 84.46 O +ANISOU 203 O SER A 720 12619 7950 11521 -1648 1999 -576 O +ATOM 204 CB SER A 720 0.496 182.910 21.630 1.00 90.03 C +ANISOU 204 CB SER A 720 13380 8528 12300 -2470 2209 -1038 C +ATOM 205 N GLY A 724 2.637 185.406 28.263 1.00 95.02 N +ANISOU 205 N GLY A 724 13736 9587 12778 -1341 1934 393 N +ATOM 206 CA GLY A 724 2.270 186.564 27.461 1.00 94.06 C +ANISOU 206 CA GLY A 724 13469 9739 12528 -1395 1756 203 C +ATOM 207 C GLY A 724 1.615 186.206 26.130 1.00 94.04 C +ANISOU 207 C GLY A 724 13493 9683 12553 -1627 1784 -65 C +ATOM 208 O GLY A 724 2.282 185.680 25.235 1.00 99.03 O +ANISOU 208 O GLY A 724 14237 10131 13255 -1608 1854 -171 O +ATOM 209 N THR A 725 0.304 186.470 26.018 1.00 89.24 N +ANISOU 209 N THR A 725 12775 9251 11881 -1846 1735 -176 N +ATOM 210 CA THR A 725 -0.418 186.552 24.719 1.00 82.04 C +ANISOU 210 CA THR A 725 11809 8436 10923 -2061 1691 -441 C +ATOM 211 C THR A 725 -1.159 187.933 24.542 1.00 74.21 C +ANISOU 211 C THR A 725 10596 7832 9769 -2073 1491 -491 C +ATOM 212 O THR A 725 -1.670 188.503 25.515 1.00 65.98 O +ANISOU 212 O THR A 725 9445 6950 8675 -2036 1437 -366 O +ATOM 213 CB THR A 725 -1.364 185.342 24.496 1.00 84.55 C +ANISOU 213 CB THR A 725 12209 8578 11337 -2360 1850 -565 C +ATOM 214 OG1 THR A 725 -2.186 185.560 23.342 1.00 84.67 O +ANISOU 214 OG1 THR A 725 12128 8774 11268 -2582 1778 -817 O +ATOM 215 CG2 THR A 725 -2.250 185.099 25.684 1.00 89.91 C +ANISOU 215 CG2 THR A 725 12844 9281 12036 -2454 1905 -421 C +ATOM 216 N VAL A 726 -1.170 188.466 23.312 1.00 65.32 N +ANISOU 216 N VAL A 726 9404 6851 8563 -2110 1391 -665 N +ATOM 217 CA VAL A 726 -1.781 189.772 22.992 1.00 58.80 C +ANISOU 217 CA VAL A 726 8375 6371 7595 -2097 1211 -702 C +ATOM 218 C VAL A 726 -2.790 189.600 21.872 1.00 58.36 C +ANISOU 218 C VAL A 726 8237 6460 7475 -2349 1185 -917 C +ATOM 219 O VAL A 726 -2.478 189.012 20.832 1.00 61.65 O +ANISOU 219 O VAL A 726 8742 6777 7903 -2442 1233 -1077 O +ATOM 220 CB VAL A 726 -0.728 190.824 22.581 1.00 58.16 C +ANISOU 220 CB VAL A 726 8264 6381 7453 -1860 1091 -665 C +ATOM 221 CG1 VAL A 726 -1.373 192.158 22.181 1.00 54.82 C +ANISOU 221 CG1 VAL A 726 7642 6285 6901 -1841 924 -695 C +ATOM 222 CG2 VAL A 726 0.264 191.060 23.713 1.00 57.63 C +ANISOU 222 CG2 VAL A 726 8252 6216 7428 -1624 1103 -461 C +ATOM 223 N TYR A 727 -4.009 190.077 22.097 1.00 55.39 N +ANISOU 223 N TYR A 727 7686 6331 7026 -2464 1115 -924 N +ATOM 224 CA TYR A 727 -5.113 189.947 21.138 1.00 56.53 C +ANISOU 224 CA TYR A 727 7711 6675 7092 -2716 1077 -1112 C +ATOM 225 C TYR A 727 -5.532 191.316 20.621 1.00 55.66 C +ANISOU 225 C TYR A 727 7388 6920 6838 -2628 893 -1108 C +ATOM 226 O TYR A 727 -5.436 192.318 21.324 1.00 48.16 O +ANISOU 226 O TYR A 727 6353 6076 5868 -2431 816 -957 O +ATOM 227 CB TYR A 727 -6.345 189.345 21.782 1.00 60.52 C +ANISOU 227 CB TYR A 727 8153 7213 7627 -2944 1152 -1119 C +ATOM 228 CG TYR A 727 -6.161 187.995 22.453 1.00 67.92 C +ANISOU 228 CG TYR A 727 9285 7802 8718 -3052 1350 -1091 C +ATOM 229 CD1 TYR A 727 -5.625 187.902 23.743 1.00 70.31 C +ANISOU 229 CD1 TYR A 727 9676 7934 9103 -2877 1419 -873 C +ATOM 230 CD2 TYR A 727 -6.561 186.815 21.815 1.00 74.31 C +ANISOU 230 CD2 TYR A 727 10186 8461 9587 -3336 1476 -1278 C +ATOM 231 CE1 TYR A 727 -5.473 186.671 24.369 1.00 76.79 C +ANISOU 231 CE1 TYR A 727 10671 8437 10066 -2961 1607 -813 C +ATOM 232 CE2 TYR A 727 -6.422 185.571 22.433 1.00 79.54 C +ANISOU 232 CE2 TYR A 727 11035 8775 10411 -3435 1677 -1240 C +ATOM 233 CZ TYR A 727 -5.872 185.503 23.709 1.00 80.74 C +ANISOU 233 CZ TYR A 727 11272 8755 10647 -3236 1743 -992 C +ATOM 234 OH TYR A 727 -5.719 184.289 24.345 1.00 83.97 O +ANISOU 234 OH TYR A 727 11865 8820 11219 -3311 1947 -918 O +ATOM 235 N LYS A 728 -6.038 191.347 19.405 1.00 54.79 N +ANISOU 235 N LYS A 728 7187 7002 6629 -2781 831 -1274 N +ATOM 236 CA LYS A 728 -6.695 192.528 18.911 1.00 55.48 C +ANISOU 236 CA LYS A 728 7048 7450 6581 -2731 670 -1257 C +ATOM 237 C LYS A 728 -8.179 192.323 19.212 1.00 51.90 C +ANISOU 237 C LYS A 728 6424 7199 6094 -2946 671 -1293 C +ATOM 238 O LYS A 728 -8.649 191.202 19.192 1.00 54.69 O +ANISOU 238 O LYS A 728 6836 7450 6491 -3198 778 -1411 O +ATOM 239 CB LYS A 728 -6.392 192.703 17.420 1.00 57.27 C +ANISOU 239 CB LYS A 728 7253 7809 6695 -2764 596 -1395 C +ATOM 240 CG LYS A 728 -7.542 193.188 16.574 1.00 62.35 C +ANISOU 240 CG LYS A 728 7661 8844 7184 -2900 477 -1471 C +ATOM 241 CD LYS A 728 -7.181 193.056 15.106 1.00 68.55 C +ANISOU 241 CD LYS A 728 8462 9732 7852 -2977 435 -1629 C +ATOM 242 CE LYS A 728 -8.415 193.171 14.227 1.00 77.32 C +ANISOU 242 CE LYS A 728 9344 11237 8796 -3187 340 -1742 C +ATOM 243 NZ LYS A 728 -8.726 194.599 13.933 1.00 78.21 N +ANISOU 243 NZ LYS A 728 9242 11676 8796 -2989 177 -1588 N +ATOM 244 N GLY A 729 -8.894 193.410 19.509 1.00 48.13 N +ANISOU 244 N GLY A 729 5738 6999 5550 -2842 563 -1188 N +ATOM 245 CA GLY A 729 -10.328 193.399 19.828 1.00 47.62 C +ANISOU 245 CA GLY A 729 5471 7178 5444 -3009 551 -1198 C +ATOM 246 C GLY A 729 -11.073 194.727 19.682 1.00 46.48 C +ANISOU 246 C GLY A 729 5068 7394 5199 -2874 410 -1109 C +ATOM 247 O GLY A 729 -10.559 195.730 19.160 1.00 46.10 O +ANISOU 247 O GLY A 729 4982 7434 5098 -2664 308 -1047 O +ATOM 248 N LEU A 730 -12.306 194.740 20.138 1.00 48.74 N +ANISOU 248 N LEU A 730 5169 7887 5462 -2991 412 -1094 N +ATOM 249 CA LEU A 730 -13.156 195.924 20.054 1.00 48.65 C +ANISOU 249 CA LEU A 730 4892 8224 5366 -2866 298 -1004 C +ATOM 250 C LEU A 730 -13.811 196.165 21.402 1.00 46.99 C +ANISOU 250 C LEU A 730 4600 8034 5218 -2812 357 -890 C +ATOM 251 O LEU A 730 -14.378 195.259 21.983 1.00 46.79 O +ANISOU 251 O LEU A 730 4586 7957 5233 -3020 456 -932 O +ATOM 252 CB LEU A 730 -14.222 195.711 18.982 1.00 52.48 C +ANISOU 252 CB LEU A 730 5162 9056 5720 -3094 224 -1125 C +ATOM 253 CG LEU A 730 -14.793 196.917 18.230 1.00 54.24 C +ANISOU 253 CG LEU A 730 5127 9663 5819 -2949 73 -1049 C +ATOM 254 CD1 LEU A 730 -13.694 197.615 17.453 1.00 52.23 C +ANISOU 254 CD1 LEU A 730 4972 9338 5533 -2735 -1 -1006 C +ATOM 255 CD2 LEU A 730 -15.959 196.491 17.318 1.00 57.94 C +ANISOU 255 CD2 LEU A 730 5365 10503 6145 -3223 11 -1174 C +ATOM 256 N TRP A 731 -13.758 197.386 21.897 1.00 44.72 N +ANISOU 256 N TRP A 731 4229 7824 4937 -2541 307 -751 N +ATOM 257 CA TRP A 731 -14.336 197.678 23.188 1.00 45.38 C +ANISOU 257 CA TRP A 731 4236 7936 5068 -2475 370 -654 C +ATOM 258 C TRP A 731 -15.548 198.582 22.969 1.00 47.55 C +ANISOU 258 C TRP A 731 4207 8587 5272 -2418 293 -608 C +ATOM 259 O TRP A 731 -15.473 199.569 22.241 1.00 46.73 O +ANISOU 259 O TRP A 731 4002 8631 5121 -2245 190 -561 O +ATOM 260 CB TRP A 731 -13.302 198.316 24.080 1.00 43.61 C +ANISOU 260 CB TRP A 731 4167 7484 4916 -2214 399 -547 C +ATOM 261 CG TRP A 731 -13.859 198.771 25.386 1.00 43.01 C +ANISOU 261 CG TRP A 731 4007 7465 4870 -2122 459 -456 C +ATOM 262 CD1 TRP A 731 -14.762 198.147 26.137 1.00 45.52 C +ANISOU 262 CD1 TRP A 731 4248 7853 5191 -2285 545 -457 C +ATOM 263 CD2 TRP A 731 -13.512 199.967 26.074 1.00 42.24 C +ANISOU 263 CD2 TRP A 731 3897 7356 4797 -1849 447 -361 C +ATOM 264 NE1 TRP A 731 -15.031 198.883 27.273 1.00 45.35 N +ANISOU 264 NE1 TRP A 731 4160 7884 5185 -2123 587 -366 N +ATOM 265 CE2 TRP A 731 -14.276 200.016 27.237 1.00 43.63 C +ANISOU 265 CE2 TRP A 731 3980 7614 4980 -1855 528 -316 C +ATOM 266 CE3 TRP A 731 -12.661 201.018 25.791 1.00 41.47 C +ANISOU 266 CE3 TRP A 731 3849 7191 4713 -1611 383 -319 C +ATOM 267 CZ2 TRP A 731 -14.181 201.059 28.145 1.00 44.59 C +ANISOU 267 CZ2 TRP A 731 4072 7747 5121 -1631 549 -246 C +ATOM 268 CZ3 TRP A 731 -12.555 202.035 26.682 1.00 41.63 C +ANISOU 268 CZ3 TRP A 731 3845 7204 4765 -1400 405 -249 C +ATOM 269 CH2 TRP A 731 -13.302 202.057 27.845 1.00 41.12 C +ANISOU 269 CH2 TRP A 731 3698 7219 4704 -1409 488 -221 C +ATOM 270 N ILE A 732 -16.675 198.206 23.549 1.00 47.99 N +ANISOU 270 N ILE A 732 4109 8803 5320 -2571 349 -613 N +ATOM 271 CA ILE A 732 -17.908 198.913 23.337 1.00 53.47 C +ANISOU 271 CA ILE A 732 4494 9876 5946 -2540 287 -572 C +ATOM 272 C ILE A 732 -18.454 199.230 24.701 1.00 56.70 C +ANISOU 272 C ILE A 732 4831 10303 6408 -2453 379 -485 C +ATOM 273 O ILE A 732 -19.148 198.428 25.274 1.00 56.96 O +ANISOU 273 O ILE A 732 4818 10376 6448 -2663 464 -518 O +ATOM 274 CB ILE A 732 -18.895 198.063 22.548 1.00 57.17 C +ANISOU 274 CB ILE A 732 4797 10596 6328 -2860 262 -690 C +ATOM 275 CG1 ILE A 732 -18.272 197.658 21.201 1.00 58.77 C +ANISOU 275 CG1 ILE A 732 5096 10768 6465 -2966 184 -804 C +ATOM 276 CG2 ILE A 732 -20.162 198.858 22.315 1.00 60.68 C +ANISOU 276 CG2 ILE A 732 4891 11470 6694 -2801 189 -626 C +ATOM 277 CD1 ILE A 732 -19.067 196.628 20.417 1.00 63.64 C +ANISOU 277 CD1 ILE A 732 5603 11583 6995 -3333 175 -968 C +ATOM 278 N PRO A 733 -18.079 200.387 25.250 1.00 57.70 N +ANISOU 278 N PRO A 733 4965 10382 6575 -2148 373 -381 N +ATOM 279 CA PRO A 733 -18.420 200.665 26.646 1.00 60.38 C +ANISOU 279 CA PRO A 733 5278 10701 6960 -2059 477 -316 C +ATOM 280 C PRO A 733 -19.888 200.959 26.926 1.00 67.78 C +ANISOU 280 C PRO A 733 5911 11978 7861 -2089 497 -286 C +ATOM 281 O PRO A 733 -20.695 201.134 25.992 1.00 62.04 O +ANISOU 281 O PRO A 733 4957 11544 7070 -2141 412 -295 O +ATOM 282 CB PRO A 733 -17.542 201.868 27.000 1.00 58.11 C +ANISOU 282 CB PRO A 733 5089 10266 6723 -1735 461 -243 C +ATOM 283 CG PRO A 733 -17.135 202.463 25.702 1.00 56.93 C +ANISOU 283 CG PRO A 733 4920 10161 6549 -1631 339 -238 C +ATOM 284 CD PRO A 733 -17.189 201.394 24.663 1.00 54.56 C +ANISOU 284 CD PRO A 733 4638 9903 6188 -1894 290 -332 C +ATOM 285 N GLU A 734 -20.199 200.930 28.231 1.00 73.48 N +ANISOU 285 N GLU A 734 6632 12672 8615 -2068 613 -248 N +ATOM 286 CA GLU A 734 -21.434 201.459 28.824 1.00 74.83 C +ANISOU 286 CA GLU A 734 6533 13128 8768 -2012 661 -200 C +ATOM 287 C GLU A 734 -22.584 201.491 27.835 1.00 78.82 C +ANISOU 287 C GLU A 734 6738 14000 9207 -2115 580 -212 C +ATOM 288 O GLU A 734 -22.874 200.481 27.190 1.00 83.41 O +ANISOU 288 O GLU A 734 7298 14650 9744 -2403 553 -291 O +ATOM 289 CB GLU A 734 -21.163 202.856 29.408 1.00 72.61 C +ANISOU 289 CB GLU A 734 6241 12814 8531 -1662 679 -129 C +ATOM 290 N GLY A 735 -23.253 202.637 27.737 1.00 81.63 N +ANISOU 290 N GLY A 735 6858 14597 9558 -1882 549 -135 N +ATOM 291 CA GLY A 735 -24.309 202.843 26.743 1.00 85.93 C +ANISOU 291 CA GLY A 735 7088 15530 10029 -1926 455 -115 C +ATOM 292 C GLY A 735 -23.889 204.046 25.925 1.00 85.73 C +ANISOU 292 C GLY A 735 7033 15524 10014 -1625 353 -32 C +ATOM 293 O GLY A 735 -24.583 205.062 25.892 1.00 87.18 O +ANISOU 293 O GLY A 735 6985 15930 10209 -1396 345 67 O +ATOM 294 N GLU A 736 -22.743 203.926 25.259 1.00 78.78 N +ANISOU 294 N GLU A 736 6388 14405 9137 -1620 286 -65 N +ATOM 295 CA GLU A 736 -22.094 205.082 24.687 1.00 75.52 C +ANISOU 295 CA GLU A 736 6016 13918 8758 -1323 218 20 C +ATOM 296 C GLU A 736 -22.130 205.250 23.155 1.00 74.45 C +ANISOU 296 C GLU A 736 5769 13985 8533 -1329 70 51 C +ATOM 297 O GLU A 736 -21.727 206.298 22.667 1.00 77.14 O +ANISOU 297 O GLU A 736 6108 14298 8902 -1067 21 152 O +ATOM 298 CB GLU A 736 -20.631 205.092 25.136 1.00 20.00 C +ATOM 299 N LYS A 737 -22.582 204.251 22.400 1.00 71.67 N +ANISOU 299 N LYS A 737 5327 13832 8070 -1628 7 -37 N +ATOM 300 CA LYS A 737 -22.560 204.312 20.925 1.00 70.92 C +ANISOU 300 CA LYS A 737 5136 13948 7860 -1666 -135 -28 C +ATOM 301 C LYS A 737 -21.162 204.661 20.381 1.00 67.93 C +ANISOU 301 C LYS A 737 5025 13272 7510 -1528 -177 -17 C +ATOM 302 O LYS A 737 -20.994 205.497 19.488 1.00 72.61 O +ANISOU 302 O LYS A 737 5543 13980 8064 -1340 -267 88 O +ATOM 303 CB LYS A 737 -23.647 205.271 20.375 1.00 74.08 C +ANISOU 303 CB LYS A 737 5172 14776 8199 -1482 -210 121 C +ATOM 304 N VAL A 738 -20.151 204.012 20.937 1.00 62.22 N +ANISOU 304 N VAL A 738 4609 12173 6857 -1618 -106 -114 N +ATOM 305 CA VAL A 738 -18.810 204.044 20.366 1.00 60.45 C +ANISOU 305 CA VAL A 738 4641 11681 6646 -1562 -142 -136 C +ATOM 306 C VAL A 738 -18.204 202.650 20.390 1.00 56.83 C +ANISOU 306 C VAL A 738 4409 11002 6179 -1851 -100 -300 C +ATOM 307 O VAL A 738 -18.522 201.850 21.272 1.00 56.57 O +ANISOU 307 O VAL A 738 4419 10886 6187 -2020 -6 -366 O +ATOM 308 CB VAL A 738 -17.860 205.000 21.118 1.00 60.23 C +ANISOU 308 CB VAL A 738 4794 11342 6748 -1269 -85 -51 C +ATOM 309 CG1 VAL A 738 -18.401 206.416 21.090 1.00 62.70 C +ANISOU 309 CG1 VAL A 738 4908 11820 7095 -968 -103 107 C +ATOM 310 CG2 VAL A 738 -17.650 204.548 22.550 1.00 59.59 C +ANISOU 310 CG2 VAL A 738 4864 11019 6758 -1315 40 -102 C +ATOM 311 N LYS A 739 -17.314 202.386 19.441 1.00 53.15 N +ANISOU 311 N LYS A 739 4092 10432 5667 -1895 -157 -357 N +ATOM 312 CA LYS A 739 -16.556 201.145 19.360 1.00 52.10 C +ANISOU 312 CA LYS A 739 4204 10046 5544 -2125 -108 -507 C +ATOM 313 C LYS A 739 -15.085 201.481 19.210 1.00 48.35 C +ANISOU 313 C LYS A 739 3981 9262 5126 -1952 -109 -482 C +ATOM 314 O LYS A 739 -14.708 202.109 18.256 1.00 49.09 O +ANISOU 314 O LYS A 739 4048 9440 5161 -1834 -195 -437 O +ATOM 315 CB LYS A 739 -16.972 200.323 18.152 1.00 54.02 C +ANISOU 315 CB LYS A 739 4362 10512 5651 -2401 -173 -643 C +ATOM 316 CG LYS A 739 -18.452 200.124 17.996 1.00 60.20 C +ANISOU 316 CG LYS A 739 4842 11688 6342 -2577 -206 -666 C +ATOM 317 CD LYS A 739 -18.688 199.156 16.840 1.00 63.33 C +ANISOU 317 CD LYS A 739 5201 12261 6600 -2896 -258 -845 C +ATOM 318 CE LYS A 739 -20.082 198.571 16.867 1.00 70.44 C +ANISOU 318 CE LYS A 739 5846 13491 7426 -3170 -258 -922 C +ATOM 319 NZ LYS A 739 -21.091 199.574 16.426 1.00 72.64 N +ANISOU 319 NZ LYS A 739 5770 14233 7596 -3026 -374 -784 N +ATOM 320 N ILE A 740 -14.263 201.038 20.149 1.00 45.16 N +ANISOU 320 N ILE A 740 3812 8517 4829 -1943 -11 -504 N +ATOM 321 CA ILE A 740 -12.905 201.456 20.238 1.00 44.46 C +ANISOU 321 CA ILE A 740 3937 8149 4805 -1758 -4 -463 C +ATOM 322 C ILE A 740 -12.016 200.250 19.976 1.00 44.18 C +ANISOU 322 C ILE A 740 4134 7868 4781 -1932 44 -585 C +ATOM 323 O ILE A 740 -12.106 199.262 20.714 1.00 44.74 O +ANISOU 323 O ILE A 740 4302 7791 4905 -2090 140 -642 O +ATOM 324 CB ILE A 740 -12.634 202.016 21.660 1.00 44.16 C +ANISOU 324 CB ILE A 740 3967 7934 4877 -1577 72 -375 C +ATOM 325 CG1 ILE A 740 -13.476 203.276 21.876 1.00 46.31 C +ANISOU 325 CG1 ILE A 740 4017 8426 5152 -1382 41 -264 C +ATOM 326 CG2 ILE A 740 -11.167 202.351 21.846 1.00 41.96 C +ANISOU 326 CG2 ILE A 740 3912 7365 4663 -1414 85 -346 C +ATOM 327 CD1 ILE A 740 -14.202 203.276 23.171 1.00 51.32 C +ANISOU 327 CD1 ILE A 740 4581 9083 5833 -1381 129 -242 C +ATOM 328 N PRO A 741 -11.156 200.321 18.959 1.00 43.22 N +ANISOU 328 N PRO A 741 4106 7695 4618 -1896 -8 -616 N +ATOM 329 CA PRO A 741 -10.191 199.251 18.698 1.00 41.82 C +ANISOU 329 CA PRO A 741 4161 7262 4467 -2021 50 -728 C +ATOM 330 C PRO A 741 -9.148 199.138 19.794 1.00 38.90 C +ANISOU 330 C PRO A 741 4002 6557 4220 -1897 136 -673 C +ATOM 331 O PRO A 741 -8.477 200.136 20.199 1.00 35.74 O +ANISOU 331 O PRO A 741 3634 6080 3864 -1658 114 -563 O +ATOM 332 CB PRO A 741 -9.549 199.684 17.353 1.00 42.81 C +ANISOU 332 CB PRO A 741 4295 7464 4504 -1954 -37 -744 C +ATOM 333 CG PRO A 741 -10.586 200.551 16.726 1.00 44.48 C +ANISOU 333 CG PRO A 741 4241 8046 4610 -1911 -143 -678 C +ATOM 334 CD PRO A 741 -11.077 201.348 17.897 1.00 44.35 C +ANISOU 334 CD PRO A 741 4135 8033 4681 -1746 -120 -547 C +ATOM 335 N VAL A 742 -9.024 197.931 20.328 1.00 39.39 N +ANISOU 335 N VAL A 742 4204 6422 4341 -2060 241 -741 N +ATOM 336 CA VAL A 742 -8.092 197.712 21.450 1.00 37.96 C +ANISOU 336 CA VAL A 742 4208 5948 4264 -1950 327 -671 C +ATOM 337 C VAL A 742 -7.115 196.538 21.259 1.00 37.29 C +ANISOU 337 C VAL A 742 4352 5580 4235 -2038 413 -744 C +ATOM 338 O VAL A 742 -7.343 195.662 20.465 1.00 39.35 O +ANISOU 338 O VAL A 742 4643 5836 4471 -2237 441 -875 O +ATOM 339 CB VAL A 742 -8.855 197.462 22.757 1.00 37.56 C +ANISOU 339 CB VAL A 742 4112 5900 4259 -2001 403 -615 C +ATOM 340 CG1 VAL A 742 -9.660 198.691 23.184 1.00 37.05 C +ANISOU 340 CG1 VAL A 742 3841 6071 4163 -1862 344 -529 C +ATOM 341 CG2 VAL A 742 -9.732 196.259 22.642 1.00 40.47 C +ANISOU 341 CG2 VAL A 742 4460 6293 4624 -2288 473 -715 C +ATOM 342 N ALA A 743 -6.033 196.567 22.020 1.00 36.30 N +ANISOU 342 N ALA A 743 4379 5227 4183 -1881 460 -658 N +ATOM 343 CA ALA A 743 -5.195 195.404 22.200 1.00 37.97 C +ANISOU 343 CA ALA A 743 4800 5153 4473 -1937 569 -685 C +ATOM 344 C ALA A 743 -5.428 194.941 23.640 1.00 39.82 C +ANISOU 344 C ALA A 743 5077 5278 4775 -1949 664 -586 C +ATOM 345 O ALA A 743 -5.665 195.742 24.546 1.00 36.91 O +ANISOU 345 O ALA A 743 4623 5008 4393 -1827 635 -484 O +ATOM 346 CB ALA A 743 -3.739 195.729 21.952 1.00 35.89 C +ANISOU 346 CB ALA A 743 4663 4740 4233 -1745 550 -645 C +ATOM 347 N ILE A 744 -5.358 193.645 23.834 1.00 40.73 N +ANISOU 347 N ILE A 744 5328 5186 4960 -2095 787 -617 N +ATOM 348 CA ILE A 744 -5.744 192.991 25.106 1.00 44.62 C +ANISOU 348 CA ILE A 744 5860 5579 5512 -2155 898 -522 C +ATOM 349 C ILE A 744 -4.633 192.026 25.499 1.00 47.83 C +ANISOU 349 C ILE A 744 6488 5666 6018 -2103 1014 -457 C +ATOM 350 O ILE A 744 -4.452 191.017 24.826 1.00 50.26 O +ANISOU 350 O ILE A 744 6914 5795 6385 -2237 1098 -556 O +ATOM 351 CB ILE A 744 -7.032 192.185 24.918 1.00 45.21 C +ANISOU 351 CB ILE A 744 5866 5720 5590 -2442 961 -620 C +ATOM 352 CG1 ILE A 744 -8.188 193.100 24.538 1.00 45.38 C +ANISOU 352 CG1 ILE A 744 5644 6088 5510 -2488 847 -668 C +ATOM 353 CG2 ILE A 744 -7.395 191.420 26.188 1.00 47.79 C +ANISOU 353 CG2 ILE A 744 6248 5925 5984 -2518 1093 -510 C +ATOM 354 CD1 ILE A 744 -9.339 192.418 23.842 1.00 47.43 C +ANISOU 354 CD1 ILE A 744 5805 6473 5740 -2784 869 -815 C +ATOM 355 N LYS A 745 -3.865 192.348 26.537 1.00 48.31 N +ANISOU 355 N LYS A 745 6599 5663 6093 -1905 1022 -298 N +ATOM 356 CA LYS A 745 -2.706 191.548 26.927 1.00 51.58 C +ANISOU 356 CA LYS A 745 7201 5804 6591 -1809 1119 -204 C +ATOM 357 C LYS A 745 -2.974 190.690 28.167 1.00 57.22 C +ANISOU 357 C LYS A 745 7981 6396 7362 -1859 1250 -62 C +ATOM 358 O LYS A 745 -3.477 191.194 29.179 1.00 51.29 O +ANISOU 358 O LYS A 745 7133 5798 6554 -1824 1230 34 O +ATOM 359 CB LYS A 745 -1.487 192.448 27.180 1.00 53.26 C +ANISOU 359 CB LYS A 745 7423 6041 6771 -1547 1034 -114 C +ATOM 360 CG LYS A 745 -0.297 191.754 27.848 1.00 55.62 C +ANISOU 360 CG LYS A 745 7875 6117 7137 -1410 1123 28 C +ATOM 361 CD LYS A 745 0.952 192.565 27.601 1.00 57.77 C +ANISOU 361 CD LYS A 745 8151 6419 7379 -1197 1032 54 C +ATOM 362 CE LYS A 745 2.024 192.319 28.641 1.00 59.49 C +ANISOU 362 CE LYS A 745 8443 6545 7616 -1022 1075 237 C +ATOM 363 NZ LYS A 745 3.204 193.172 28.324 1.00 58.81 N +ANISOU 363 NZ LYS A 745 8337 6514 7494 -838 979 242 N +ATOM 364 N GLU A 746 -2.622 189.401 28.076 1.00 62.50 N +ANISOU 364 N GLU A 746 8819 6784 8143 -1935 1395 -48 N +ATOM 365 CA GLU A 746 -2.559 188.497 29.242 1.00 68.17 C +ANISOU 365 CA GLU A 746 9638 7331 8933 -1935 1538 132 C +ATOM 366 C GLU A 746 -1.306 187.601 29.193 1.00 69.35 C +ANISOU 366 C GLU A 746 9983 7171 9194 -1812 1647 220 C +ATOM 367 O GLU A 746 -1.131 186.702 30.020 1.00 76.63 O +ANISOU 367 O GLU A 746 11012 7904 10197 -1799 1786 385 O +ATOM 368 CB GLU A 746 -3.829 187.659 29.336 1.00 70.66 C +ANISOU 368 CB GLU A 746 9943 7606 9296 -2213 1650 80 C +ATOM 369 CG GLU A 746 -4.125 186.812 28.110 1.00 75.39 C +ANISOU 369 CG GLU A 746 10621 8045 9978 -2433 1722 -125 C +ATOM 370 CD GLU A 746 -5.504 186.166 28.162 1.00 80.59 C +ANISOU 370 CD GLU A 746 11227 8729 10663 -2740 1810 -204 C +ATOM 371 OE1 GLU A 746 -6.464 186.846 28.559 1.00 81.72 O +ANISOU 371 OE1 GLU A 746 11188 9150 10711 -2797 1732 -197 O +ATOM 372 OE2 GLU A 746 -5.642 184.980 27.794 1.00 86.75 O +ANISOU 372 OE2 GLU A 746 12143 9250 11564 -2930 1965 -282 O +ATOM 373 N SER A 752 2.694 180.815 39.133 1.00119.02 N +ANISOU 373 N SER A 752 17022 12364 15836 -739 2772 2872 N +ATOM 374 CA SER A 752 1.610 181.484 38.428 1.00118.77 C +ANISOU 374 CA SER A 752 16906 12453 15765 -994 2680 2540 C +ATOM 375 C SER A 752 1.068 182.689 39.226 1.00123.73 C +ANISOU 375 C SER A 752 17334 13527 16148 -1011 2511 2520 C +ATOM 376 O SER A 752 0.915 183.772 38.647 1.00124.21 O +ANISOU 376 O SER A 752 17279 13797 16117 -1041 2340 2274 O +ATOM 377 CB SER A 752 0.503 180.481 38.071 1.00118.92 C +ANISOU 377 CB SER A 752 17038 12188 15958 -1283 2870 2462 C +ATOM 378 OG SER A 752 -0.659 181.135 37.592 1.00111.91 O +ANISOU 378 OG SER A 752 16032 11486 15002 -1531 2777 2184 O +ATOM 379 N PRO A 753 0.775 182.518 40.548 1.00127.66 N +ANISOU 379 N PRO A 753 17791 14172 16541 -988 2565 2779 N +ATOM 380 CA PRO A 753 0.506 183.706 41.395 1.00123.70 C +ANISOU 380 CA PRO A 753 17102 14109 15789 -953 2407 2770 C +ATOM 381 C PRO A 753 1.653 184.752 41.425 1.00123.78 C +ANISOU 381 C PRO A 753 17018 14354 15656 -718 2216 2740 C +ATOM 382 O PRO A 753 1.386 185.957 41.539 1.00115.62 O +ANISOU 382 O PRO A 753 15840 13625 14465 -733 2061 2576 O +ATOM 383 CB PRO A 753 0.274 183.102 42.791 1.00122.45 C +ANISOU 383 CB PRO A 753 16950 14022 15554 -931 2528 3101 C +ATOM 384 CG PRO A 753 -0.228 181.724 42.533 1.00124.66 C +ANISOU 384 CG PRO A 753 17395 13910 16059 -1082 2756 3194 C +ATOM 385 CD PRO A 753 0.443 181.263 41.262 1.00127.74 C +ANISOU 385 CD PRO A 753 17920 13957 16656 -1044 2787 3053 C +ATOM 386 N LYS A 754 2.905 184.291 41.312 1.00122.41 N +ANISOU 386 N LYS A 754 16927 14035 15547 -508 2238 2892 N +ATOM 387 CA LYS A 754 4.075 185.177 41.247 1.00113.66 C +ANISOU 387 CA LYS A 754 15734 13126 14325 -297 2071 2863 C +ATOM 388 C LYS A 754 4.058 186.100 40.020 1.00107.11 C +ANISOU 388 C LYS A 754 14858 12318 13520 -358 1934 2520 C +ATOM 389 O LYS A 754 4.687 187.156 40.047 1.00105.75 O +ANISOU 389 O LYS A 754 14576 12383 13218 -248 1774 2440 O +ATOM 390 CB LYS A 754 5.371 184.352 41.269 1.00112.78 C +ANISOU 390 CB LYS A 754 15718 12827 14306 -65 2145 3103 C +ATOM 391 N ALA A 755 3.330 185.707 38.964 1.00103.27 N +ANISOU 391 N ALA A 755 14449 11594 13192 -542 2000 2322 N +ATOM 392 CA ALA A 755 3.252 186.470 37.697 1.00 97.05 C +ANISOU 392 CA ALA A 755 13626 10815 12433 -609 1884 2011 C +ATOM 393 C ALA A 755 2.141 187.538 37.618 1.00 90.20 C +ANISOU 393 C ALA A 755 12617 10199 11455 -768 1772 1799 C +ATOM 394 O ALA A 755 2.327 188.550 36.933 1.00 77.04 O +ANISOU 394 O ALA A 755 10872 8656 9741 -744 1631 1605 O +ATOM 395 CB ALA A 755 3.123 185.510 36.518 1.00 98.15 C +ANISOU 395 CB ALA A 755 13913 10595 12782 -719 2007 1893 C +ATOM 396 N ASN A 756 0.994 187.310 38.281 1.00 91.90 N +ANISOU 396 N ASN A 756 12797 10480 11637 -926 1842 1841 N +ATOM 397 CA ASN A 756 -0.093 188.330 38.379 1.00 88.10 C +ANISOU 397 CA ASN A 756 12163 10266 11043 -1052 1749 1671 C +ATOM 398 C ASN A 756 0.345 189.636 39.076 1.00 82.95 C +ANISOU 398 C ASN A 756 11376 9937 10203 -903 1600 1665 C +ATOM 399 O ASN A 756 -0.220 190.702 38.818 1.00 78.28 O +ANISOU 399 O ASN A 756 10666 9530 9544 -951 1497 1478 O +ATOM 400 CB ASN A 756 -1.341 187.758 39.076 1.00 87.41 C +ANISOU 400 CB ASN A 756 12058 10200 10953 -1238 1871 1747 C +ATOM 401 N LYS A 757 1.346 189.527 39.959 1.00 82.52 N +ANISOU 401 N LYS A 757 11337 9948 10066 -726 1597 1871 N +ATOM 402 CA LYS A 757 1.976 190.675 40.632 1.00 77.41 C +ANISOU 402 CA LYS A 757 10575 9596 9240 -585 1462 1865 C +ATOM 403 C LYS A 757 2.725 191.530 39.642 1.00 69.49 C +ANISOU 403 C LYS A 757 9549 8590 8264 -504 1332 1681 C +ATOM 404 O LYS A 757 2.682 192.742 39.748 1.00 66.45 O +ANISOU 404 O LYS A 757 9054 8418 7773 -485 1218 1542 O +ATOM 405 CB LYS A 757 2.943 190.225 41.749 1.00 77.26 C +ANISOU 405 CB LYS A 757 10574 9659 9121 -419 1491 2144 C +ATOM 406 N GLU A 758 3.413 190.906 38.679 1.00 67.99 N +ANISOU 406 N GLU A 758 9464 8151 8217 -459 1359 1677 N +ATOM 407 CA GLU A 758 4.152 191.665 37.641 1.00 62.57 C +ANISOU 407 CA GLU A 758 8758 7452 7560 -388 1245 1508 C +ATOM 408 C GLU A 758 3.187 192.364 36.664 1.00 60.07 C +ANISOU 408 C GLU A 758 8391 7152 7281 -533 1189 1254 C +ATOM 409 O GLU A 758 3.433 193.509 36.248 1.00 48.61 O +ANISOU 409 O GLU A 758 6860 5829 5781 -489 1068 1111 O +ATOM 410 CB GLU A 758 5.166 190.782 36.878 1.00 61.83 C +ANISOU 410 CB GLU A 758 8788 7100 7603 -292 1302 1572 C +ATOM 411 N ILE A 759 2.075 191.700 36.318 1.00 60.21 N +ANISOU 411 N ILE A 759 8445 7052 7380 -707 1277 1206 N +ATOM 412 CA ILE A 759 1.116 192.319 35.385 1.00 58.11 C +ANISOU 412 CA ILE A 759 8109 6834 7136 -843 1221 983 C +ATOM 413 C ILE A 759 0.376 193.481 36.077 1.00 52.10 C +ANISOU 413 C ILE A 759 7196 6352 6246 -856 1146 924 C +ATOM 414 O ILE A 759 0.102 194.469 35.420 1.00 41.46 O +ANISOU 414 O ILE A 759 5765 5100 4884 -862 1052 763 O +ATOM 415 CB ILE A 759 0.156 191.317 34.683 1.00 59.94 C +ANISOU 415 CB ILE A 759 8404 6883 7486 -1046 1327 917 C +ATOM 416 CG1 ILE A 759 -0.090 191.761 33.230 1.00 62.26 C +ANISOU 416 CG1 ILE A 759 8670 7161 7826 -1119 1251 694 C +ATOM 417 CG2 ILE A 759 -1.165 191.197 35.405 1.00 62.69 C +ANISOU 417 CG2 ILE A 759 8678 7347 7793 -1199 1385 939 C +ATOM 418 CD1 ILE A 759 -0.909 190.783 32.404 1.00 63.85 C +ANISOU 418 CD1 ILE A 759 8931 7197 8132 -1331 1345 596 C +ATOM 419 N LEU A 760 0.098 193.376 37.387 1.00 50.47 N +ANISOU 419 N LEU A 760 6957 6274 5946 -848 1195 1060 N +ATOM 420 CA LEU A 760 -0.443 194.544 38.112 1.00 48.74 C +ANISOU 420 CA LEU A 760 6598 6324 5595 -834 1132 993 C +ATOM 421 C LEU A 760 0.554 195.685 38.356 1.00 44.68 C +ANISOU 421 C LEU A 760 6035 5949 4990 -676 1019 950 C +ATOM 422 O LEU A 760 0.136 196.833 38.398 1.00 41.09 O +ANISOU 422 O LEU A 760 5478 5652 4481 -670 954 815 O +ATOM 423 CB LEU A 760 -1.141 194.150 39.389 1.00 50.70 C +ANISOU 423 CB LEU A 760 6814 6695 5756 -892 1223 1124 C +ATOM 424 CG LEU A 760 -2.465 193.383 39.124 1.00 54.76 C +ANISOU 424 CG LEU A 760 7324 7131 6349 -1090 1325 1108 C +ATOM 425 CD1 LEU A 760 -3.152 193.079 40.421 1.00 57.55 C +ANISOU 425 CD1 LEU A 760 7633 7629 6604 -1146 1418 1242 C +ATOM 426 CD2 LEU A 760 -3.451 194.113 38.227 1.00 55.68 C +ANISOU 426 CD2 LEU A 760 7334 7319 6501 -1187 1267 897 C +ATOM 427 N ASP A 761 1.855 195.408 38.458 1.00 42.85 N +ANISOU 427 N ASP A 761 5870 5657 4752 -551 998 1053 N +ATOM 428 CA ASP A 761 2.838 196.508 38.498 1.00 42.35 C +ANISOU 428 CA ASP A 761 5755 5716 4618 -426 886 985 C +ATOM 429 C ASP A 761 2.844 197.240 37.176 1.00 40.13 C +ANISOU 429 C ASP A 761 5459 5360 4427 -435 810 801 C +ATOM 430 O ASP A 761 2.954 198.488 37.120 1.00 37.64 O +ANISOU 430 O ASP A 761 5067 5167 4068 -396 729 676 O +ATOM 431 CB ASP A 761 4.269 196.015 38.796 1.00 45.91 C +ANISOU 431 CB ASP A 761 6262 6134 5046 -290 876 1140 C +ATOM 432 CG ASP A 761 4.451 195.528 40.246 1.00 50.68 C +ANISOU 432 CG ASP A 761 6853 6884 5516 -246 927 1343 C +ATOM 433 OD1 ASP A 761 3.791 196.014 41.187 1.00 50.96 O +ANISOU 433 OD1 ASP A 761 6811 7123 5426 -292 932 1326 O +ATOM 434 OD2 ASP A 761 5.280 194.627 40.450 1.00 59.51 O +ANISOU 434 OD2 ASP A 761 8037 7921 6652 -157 968 1532 O +ATOM 435 N GLU A 762 2.771 196.464 36.089 1.00 37.35 N +ANISOU 435 N GLU A 762 5187 4802 4202 -486 844 785 N +ATOM 436 CA GLU A 762 2.669 197.020 34.745 1.00 36.38 C +ANISOU 436 CA GLU A 762 5050 4616 4154 -511 781 624 C +ATOM 437 C GLU A 762 1.396 197.857 34.569 1.00 34.25 C +ANISOU 437 C GLU A 762 4673 4471 3868 -597 754 492 C +ATOM 438 O GLU A 762 1.452 198.939 34.022 1.00 32.84 O +ANISOU 438 O GLU A 762 4432 4354 3689 -555 675 381 O +ATOM 439 CB GLU A 762 2.726 195.871 33.716 1.00 39.05 C +ANISOU 439 CB GLU A 762 5497 4725 4612 -573 843 627 C +ATOM 440 CG GLU A 762 2.806 196.318 32.282 1.00 39.18 C +ANISOU 440 CG GLU A 762 5509 4688 4688 -590 780 477 C +ATOM 441 CD GLU A 762 3.078 195.148 31.323 1.00 41.21 C +ANISOU 441 CD GLU A 762 5885 4721 5049 -641 851 469 C +ATOM 442 OE1 GLU A 762 3.441 194.065 31.803 1.00 43.90 O +ANISOU 442 OE1 GLU A 762 6322 4923 5433 -626 948 594 O +ATOM 443 OE2 GLU A 762 2.936 195.299 30.089 1.00 42.30 O +ANISOU 443 OE2 GLU A 762 6024 4820 5227 -693 818 339 O +ATOM 444 N ALA A 763 0.254 197.370 35.050 1.00 32.75 N +ANISOU 444 N ALA A 763 4454 4321 3668 -710 825 518 N +ATOM 445 CA ALA A 763 -0.974 198.142 34.948 1.00 33.47 C +ANISOU 445 CA ALA A 763 4424 4552 3741 -778 806 408 C +ATOM 446 C ALA A 763 -0.862 199.442 35.724 1.00 35.92 C +ANISOU 446 C ALA A 763 4645 5040 3963 -677 757 364 C +ATOM 447 O ALA A 763 -1.326 200.478 35.230 1.00 35.17 O +ANISOU 447 O ALA A 763 4463 5016 3882 -657 706 248 O +ATOM 448 CB ALA A 763 -2.149 197.367 35.468 1.00 33.39 C +ANISOU 448 CB ALA A 763 4387 4574 3725 -917 901 455 C +ATOM 449 N TYR A 764 -0.224 199.396 36.913 1.00 35.57 N +ANISOU 449 N TYR A 764 4621 5067 3825 -613 777 455 N +ATOM 450 CA TYR A 764 -0.001 200.591 37.713 1.00 35.68 C +ANISOU 450 CA TYR A 764 4562 5249 3744 -532 738 393 C +ATOM 451 C TYR A 764 0.729 201.663 36.925 1.00 35.06 C +ANISOU 451 C TYR A 764 4473 5136 3709 -448 649 280 C +ATOM 452 O TYR A 764 0.305 202.832 36.865 1.00 32.80 O +ANISOU 452 O TYR A 764 4109 4927 3424 -421 624 161 O +ATOM 453 CB TYR A 764 0.777 200.272 39.019 1.00 38.29 C +ANISOU 453 CB TYR A 764 4920 5679 3949 -481 761 514 C +ATOM 454 CG TYR A 764 0.955 201.485 39.920 1.00 39.04 C +ANISOU 454 CG TYR A 764 4936 5968 3926 -426 732 421 C +ATOM 455 CD1 TYR A 764 2.011 202.386 39.727 1.00 38.84 C +ANISOU 455 CD1 TYR A 764 4910 5954 3893 -345 653 339 C +ATOM 456 CD2 TYR A 764 0.082 201.720 40.966 1.00 40.92 C +ANISOU 456 CD2 TYR A 764 5103 6380 4062 -465 793 405 C +ATOM 457 CE1 TYR A 764 2.159 203.505 40.529 1.00 37.26 C +ANISOU 457 CE1 TYR A 764 4645 5916 3593 -316 638 227 C +ATOM 458 CE2 TYR A 764 0.237 202.836 41.791 1.00 42.50 C +ANISOU 458 CE2 TYR A 764 5239 6754 4153 -423 779 292 C +ATOM 459 CZ TYR A 764 1.288 203.736 41.539 1.00 39.03 C +ANISOU 459 CZ TYR A 764 4807 6304 3719 -353 702 195 C +ATOM 460 OH TYR A 764 1.433 204.848 42.348 1.00 37.91 O +ANISOU 460 OH TYR A 764 4607 6319 3475 -332 701 58 O +ATOM 461 N VAL A 765 1.869 201.308 36.354 1.00 34.00 N +ANISOU 461 N VAL A 765 4418 4885 3614 -398 609 324 N +ATOM 462 CA VAL A 765 2.623 202.276 35.556 1.00 35.87 C +ANISOU 462 CA VAL A 765 4647 5084 3895 -328 531 231 C +ATOM 463 C VAL A 765 1.805 202.819 34.382 1.00 33.75 C +ANISOU 463 C VAL A 765 4336 4770 3717 -359 507 129 C +ATOM 464 O VAL A 765 1.731 204.047 34.121 1.00 34.99 O +ANISOU 464 O VAL A 765 4434 4966 3893 -312 468 32 O +ATOM 465 CB VAL A 765 3.926 201.643 35.042 1.00 36.68 C +ANISOU 465 CB VAL A 765 4836 5068 4031 -275 505 305 C +ATOM 466 CG1 VAL A 765 4.625 202.560 34.063 1.00 36.14 C +ANISOU 466 CG1 VAL A 765 4759 4953 4018 -221 433 215 C +ATOM 467 CG2 VAL A 765 4.815 201.287 36.224 1.00 38.69 C +ANISOU 467 CG2 VAL A 765 5106 5410 4184 -220 514 417 C +ATOM 468 N MET A 766 1.222 201.906 33.641 1.00 33.73 N +ANISOU 468 N MET A 766 4361 4682 3771 -438 533 154 N +ATOM 469 CA MET A 766 0.500 202.288 32.408 1.00 33.50 C +ANISOU 469 CA MET A 766 4283 4635 3809 -474 500 72 C +ATOM 470 C MET A 766 -0.730 203.123 32.729 1.00 34.28 C +ANISOU 470 C MET A 766 4260 4871 3893 -485 511 12 C +ATOM 471 O MET A 766 -1.133 203.955 31.924 1.00 36.77 O +ANISOU 471 O MET A 766 4508 5212 4250 -455 470 -50 O +ATOM 472 CB MET A 766 0.030 201.065 31.659 1.00 36.00 C +ANISOU 472 CB MET A 766 4646 4861 4171 -587 534 93 C +ATOM 473 CG MET A 766 0.987 200.522 30.649 1.00 38.57 C +ANISOU 473 CG MET A 766 5068 5040 4545 -574 514 96 C +ATOM 474 SD MET A 766 0.229 199.218 29.649 1.00 41.09 S +ANISOU 474 SD MET A 766 5432 5262 4918 -738 564 65 S +ATOM 475 CE MET A 766 -0.007 199.974 28.047 1.00 41.70 C +ANISOU 475 CE MET A 766 5443 5389 5010 -744 478 -44 C +ATOM 476 N ALA A 767 -1.312 202.963 33.924 1.00 34.13 N +ANISOU 476 N ALA A 767 4204 4949 3811 -514 571 39 N +ATOM 477 CA ALA A 767 -2.428 203.831 34.325 1.00 34.82 C +ANISOU 477 CA ALA A 767 4168 5177 3883 -504 595 -23 C +ATOM 478 C ALA A 767 -1.973 205.218 34.771 1.00 35.69 C +ANISOU 478 C ALA A 767 4249 5331 3980 -388 575 -99 C +ATOM 479 O ALA A 767 -2.800 206.114 34.935 1.00 39.28 O +ANISOU 479 O ALA A 767 4606 5871 4447 -350 599 -164 O +ATOM 480 CB ALA A 767 -3.264 203.189 35.424 1.00 34.82 C +ANISOU 480 CB ALA A 767 4133 5279 3816 -583 678 24 C +ATOM 481 N SER A 768 -0.685 205.395 35.004 1.00 32.53 N +ANISOU 481 N SER A 768 3925 4876 3557 -334 543 -93 N +ATOM 482 CA SER A 768 -0.179 206.623 35.580 1.00 35.55 C +ANISOU 482 CA SER A 768 4288 5301 3917 -255 537 -179 C +ATOM 483 C SER A 768 0.477 207.527 34.528 1.00 35.96 C +ANISOU 483 C SER A 768 4355 5248 4059 -188 478 -231 C +ATOM 484 O SER A 768 1.020 208.573 34.863 1.00 38.37 O +ANISOU 484 O SER A 768 4657 5553 4367 -133 475 -309 O +ATOM 485 CB SER A 768 0.893 206.276 36.635 1.00 35.44 C +ANISOU 485 CB SER A 768 4333 5333 3798 -252 537 -141 C +ATOM 486 OG SER A 768 0.352 205.491 37.678 1.00 36.55 O +ANISOU 486 OG SER A 768 4462 5582 3843 -306 597 -74 O +ATOM 487 N VAL A 769 0.509 207.083 33.284 1.00 33.78 N +ANISOU 487 N VAL A 769 4101 4883 3849 -202 436 -188 N +ATOM 488 CA VAL A 769 1.170 207.846 32.224 1.00 33.44 C +ANISOU 488 CA VAL A 769 4074 4748 3881 -143 382 -213 C +ATOM 489 C VAL A 769 0.124 208.379 31.268 1.00 35.77 C +ANISOU 489 C VAL A 769 4289 5055 4246 -122 376 -226 C +ATOM 490 O VAL A 769 -0.861 207.718 31.006 1.00 36.49 O +ANISOU 490 O VAL A 769 4333 5202 4329 -181 386 -198 O +ATOM 491 CB VAL A 769 2.207 207.006 31.445 1.00 33.92 C +ANISOU 491 CB VAL A 769 4223 4714 3950 -161 337 -153 C +ATOM 492 CG1 VAL A 769 3.361 206.596 32.342 1.00 35.82 C +ANISOU 492 CG1 VAL A 769 4526 4958 4126 -153 338 -122 C +ATOM 493 CG2 VAL A 769 1.588 205.794 30.816 1.00 35.07 C +ANISOU 493 CG2 VAL A 769 4384 4839 4101 -240 344 -103 C +ATOM 494 N ASP A 770 0.351 209.588 30.769 1.00 33.62 N +ANISOU 494 N ASP A 770 3994 4736 4041 -39 362 -262 N +ATOM 495 CA ASP A 770 -0.532 210.213 29.834 1.00 35.48 C +ANISOU 495 CA ASP A 770 4146 4989 4343 9 354 -247 C +ATOM 496 C ASP A 770 0.279 211.164 28.968 1.00 31.46 C +ANISOU 496 C ASP A 770 3666 4379 3907 84 322 -242 C +ATOM 497 O ASP A 770 0.500 212.306 29.337 1.00 31.32 O +ANISOU 497 O ASP A 770 3644 4310 3945 155 359 -290 O +ATOM 498 CB ASP A 770 -1.622 210.965 30.567 1.00 38.80 C +ANISOU 498 CB ASP A 770 4471 5488 4783 60 419 -290 C +ATOM 499 CG ASP A 770 -2.614 211.595 29.634 1.00 43.06 C +ANISOU 499 CG ASP A 770 4901 6069 5390 130 414 -251 C +ATOM 500 OD1 ASP A 770 -2.789 211.132 28.489 1.00 46.92 O +ANISOU 500 OD1 ASP A 770 5367 6584 5875 101 354 -187 O +ATOM 501 OD2 ASP A 770 -3.259 212.540 30.066 1.00 48.83 O +ANISOU 501 OD2 ASP A 770 5560 6821 6170 218 474 -283 O +ATOM 502 N ASN A 771 0.691 210.681 27.813 1.00 27.42 N +ANISOU 502 N ASN A 771 3185 3837 3396 60 265 -188 N +ATOM 503 CA ASN A 771 1.491 211.495 26.869 1.00 26.73 C +ANISOU 503 CA ASN A 771 3124 3663 3368 123 236 -163 C +ATOM 504 C ASN A 771 1.256 210.918 25.482 1.00 26.59 C +ANISOU 504 C ASN A 771 3087 3685 3328 94 181 -99 C +ATOM 505 O ASN A 771 1.099 209.681 25.335 1.00 27.84 O +ANISOU 505 O ASN A 771 3268 3884 3424 2 164 -99 O +ATOM 506 CB ASN A 771 2.977 211.417 27.259 1.00 25.58 C +ANISOU 506 CB ASN A 771 3077 3432 3210 105 228 -191 C +ATOM 507 CG ASN A 771 3.880 212.235 26.368 1.00 28.24 C +ANISOU 507 CG ASN A 771 3440 3681 3608 153 209 -168 C +ATOM 508 OD1 ASN A 771 4.433 211.726 25.415 1.00 28.45 O +ANISOU 508 OD1 ASN A 771 3499 3693 3616 134 167 -121 O +ATOM 509 ND2 ASN A 771 4.022 213.500 26.671 1.00 28.45 N +ANISOU 509 ND2 ASN A 771 3456 3642 3710 211 249 -203 N +ATOM 510 N PRO A 772 1.267 211.783 24.443 1.00 26.41 N +ANISOU 510 N PRO A 772 3028 3650 3354 167 161 -45 N +ATOM 511 CA PRO A 772 1.012 211.285 23.067 1.00 28.61 C +ANISOU 511 CA PRO A 772 3277 4006 3587 136 105 12 C +ATOM 512 C PRO A 772 2.027 210.237 22.562 1.00 27.13 C +ANISOU 512 C PRO A 772 3188 3776 3344 55 75 -4 C +ATOM 513 O PRO A 772 1.756 209.583 21.570 1.00 29.48 O +ANISOU 513 O PRO A 772 3468 4146 3583 -1 39 8 O +ATOM 514 CB PRO A 772 1.124 212.551 22.219 1.00 30.42 C +ANISOU 514 CB PRO A 772 3466 4211 3881 247 100 90 C +ATOM 515 CG PRO A 772 0.675 213.643 23.163 1.00 32.38 C +ANISOU 515 CG PRO A 772 3675 4407 4220 339 165 73 C +ATOM 516 CD PRO A 772 1.247 213.252 24.515 1.00 29.20 C +ANISOU 516 CD PRO A 772 3351 3938 3804 280 200 -30 C +ATOM 517 N HIS A 773 3.171 210.079 23.230 1.00 26.64 N +ANISOU 517 N HIS A 773 3218 3608 3293 50 94 -37 N +ATOM 518 CA HIS A 773 4.204 209.150 22.793 1.00 26.23 C +ANISOU 518 CA HIS A 773 3255 3508 3204 0 79 -44 C +ATOM 519 C HIS A 773 4.481 208.025 23.793 1.00 26.58 C +ANISOU 519 C HIS A 773 3363 3518 3216 -58 107 -78 C +ATOM 520 O HIS A 773 5.521 207.383 23.747 1.00 26.68 O +ANISOU 520 O HIS A 773 3452 3468 3216 -68 111 -76 O +ATOM 521 CB HIS A 773 5.470 209.902 22.400 1.00 25.24 C +ANISOU 521 CB HIS A 773 3168 3305 3115 58 73 -23 C +ATOM 522 CG HIS A 773 5.245 210.856 21.273 1.00 26.10 C +ANISOU 522 CG HIS A 773 3225 3441 3250 113 53 37 C +ATOM 523 ND1 HIS A 773 4.890 210.431 20.014 1.00 27.06 N +ANISOU 523 ND1 HIS A 773 3320 3646 3313 86 19 70 N +ATOM 524 CD2 HIS A 773 5.198 212.210 21.236 1.00 27.79 C +ANISOU 524 CD2 HIS A 773 3400 3617 3540 193 70 76 C +ATOM 525 CE1 HIS A 773 4.723 211.489 19.231 1.00 27.32 C +ANISOU 525 CE1 HIS A 773 3298 3706 3374 157 8 148 C +ATOM 526 NE2 HIS A 773 4.891 212.566 19.948 1.00 27.63 N +ANISOU 526 NE2 HIS A 773 3333 3657 3506 226 44 158 N +ATOM 527 N VAL A 774 3.516 207.766 24.665 1.00 25.84 N +ANISOU 527 N VAL A 774 3233 3475 3110 -91 132 -95 N +ATOM 528 CA VAL A 774 3.552 206.631 25.565 1.00 26.36 C +ANISOU 528 CA VAL A 774 3350 3521 3141 -153 167 -102 C +ATOM 529 C VAL A 774 2.198 205.946 25.489 1.00 26.74 C +ANISOU 529 C VAL A 774 3348 3644 3166 -240 182 -112 C +ATOM 530 O VAL A 774 1.177 206.646 25.403 1.00 27.55 O +ANISOU 530 O VAL A 774 3351 3839 3277 -224 174 -116 O +ATOM 531 CB VAL A 774 3.834 207.152 27.006 1.00 30.01 C +ANISOU 531 CB VAL A 774 3811 3989 3601 -112 193 -112 C +ATOM 532 CG1 VAL A 774 3.610 206.041 27.977 1.00 37.04 C +ANISOU 532 CG1 VAL A 774 4734 4891 4445 -171 234 -94 C +ATOM 533 CG2 VAL A 774 5.265 207.675 27.093 1.00 29.82 C +ANISOU 533 CG2 VAL A 774 3831 3906 3590 -55 177 -112 C +ATOM 534 N CYS A 775 2.159 204.606 25.520 1.00 26.69 N +ANISOU 534 N CYS A 775 3404 3598 3137 -332 212 -113 N +ATOM 535 CA CYS A 775 0.882 203.885 25.538 1.00 30.23 C +ANISOU 535 CA CYS A 775 3805 4115 3566 -444 237 -132 C +ATOM 536 C CYS A 775 0.257 203.883 26.948 1.00 32.88 C +ANISOU 536 C CYS A 775 4106 4497 3890 -453 284 -114 C +ATOM 537 O CYS A 775 0.915 203.498 27.901 1.00 37.87 O +ANISOU 537 O CYS A 775 4807 5068 4512 -434 319 -81 O +ATOM 538 CB CYS A 775 1.099 202.445 25.133 1.00 32.42 C +ANISOU 538 CB CYS A 775 4176 4301 3839 -550 275 -147 C +ATOM 539 SG CYS A 775 1.592 202.379 23.384 1.00 39.25 S +ANISOU 539 SG CYS A 775 5066 5151 4693 -564 230 -195 S +ATOM 540 N ARG A 776 -1.001 204.232 27.082 1.00 34.73 N +ANISOU 540 N ARG A 776 4226 4853 4115 -483 289 -129 N +ATOM 541 CA ARG A 776 -1.612 204.187 28.391 1.00 39.39 C +ANISOU 541 CA ARG A 776 4779 5500 4685 -497 343 -117 C +ATOM 542 C ARG A 776 -2.692 203.147 28.481 1.00 36.02 C +ANISOU 542 C ARG A 776 4317 5127 4239 -641 387 -117 C +ATOM 543 O ARG A 776 -3.196 202.668 27.490 1.00 32.02 O +ANISOU 543 O ARG A 776 3782 4648 3734 -734 367 -146 O +ATOM 544 CB ARG A 776 -2.191 205.531 28.781 1.00 46.74 C +ANISOU 544 CB ARG A 776 5600 6531 5628 -399 339 -135 C +ATOM 545 CG ARG A 776 -3.461 205.951 28.022 1.00 55.33 C +ANISOU 545 CG ARG A 776 6544 7750 6726 -410 318 -144 C +ATOM 546 CD ARG A 776 -4.231 207.026 28.794 1.00 62.66 C +ANISOU 546 CD ARG A 776 7361 8774 7671 -318 354 -155 C +ATOM 547 NE ARG A 776 -3.668 207.185 30.133 1.00 69.13 N +ANISOU 547 NE ARG A 776 8247 9546 8472 -283 406 -174 N +ATOM 548 CZ ARG A 776 -4.245 207.839 31.126 1.00 75.34 C +ANISOU 548 CZ ARG A 776 8965 10407 9251 -232 464 -204 C +ATOM 549 NH1 ARG A 776 -5.397 208.470 30.938 1.00 83.47 N +ANISOU 549 NH1 ARG A 776 9855 11547 10310 -186 483 -210 N +ATOM 550 NH2 ARG A 776 -3.622 207.900 32.301 1.00 74.91 N +ANISOU 550 NH2 ARG A 776 8976 10329 9155 -218 504 -230 N +ATOM 551 N LEU A 777 -3.052 202.826 29.707 1.00 35.98 N +ANISOU 551 N LEU A 777 4308 5153 4209 -670 450 -89 N +ATOM 552 CA LEU A 777 -3.994 201.766 29.959 1.00 36.37 C +ANISOU 552 CA LEU A 777 4336 5237 4245 -821 510 -78 C +ATOM 553 C LEU A 777 -5.391 202.329 29.771 1.00 37.61 C +ANISOU 553 C LEU A 777 4320 5577 4392 -851 502 -112 C +ATOM 554 O LEU A 777 -5.670 203.402 30.294 1.00 36.93 O +ANISOU 554 O LEU A 777 4149 5581 4299 -740 500 -117 O +ATOM 555 CB LEU A 777 -3.830 201.294 31.411 1.00 36.28 C +ANISOU 555 CB LEU A 777 4376 5209 4198 -826 586 -12 C +ATOM 556 CG LEU A 777 -4.548 200.002 31.735 1.00 37.14 C +ANISOU 556 CG LEU A 777 4503 5301 4306 -990 668 25 C +ATOM 557 CD1 LEU A 777 -3.846 198.849 31.042 1.00 38.73 C +ANISOU 557 CD1 LEU A 777 4845 5313 4556 -1062 686 39 C +ATOM 558 CD2 LEU A 777 -4.611 199.769 33.227 1.00 39.92 C +ANISOU 558 CD2 LEU A 777 4868 5694 4605 -983 743 105 C +ATOM 559 N LEU A 778 -6.263 201.634 29.040 1.00 34.80 N +ANISOU 559 N LEU A 778 3905 5282 4035 -998 502 -141 N +ATOM 560 CA LEU A 778 -7.661 201.977 29.053 1.00 35.72 C +ANISOU 560 CA LEU A 778 3839 5600 4132 -1043 507 -157 C +ATOM 561 C LEU A 778 -8.349 201.381 30.324 1.00 35.67 C +ANISOU 561 C LEU A 778 3808 5641 4102 -1132 605 -124 C +ATOM 562 O LEU A 778 -9.218 202.022 30.954 1.00 35.91 O +ANISOU 562 O LEU A 778 3701 5830 4113 -1089 632 -119 O +ATOM 563 CB LEU A 778 -8.350 201.482 27.798 1.00 38.35 C +ANISOU 563 CB LEU A 778 4095 6021 4453 -1183 464 -207 C +ATOM 564 CG LEU A 778 -7.913 202.138 26.483 1.00 41.80 C +ANISOU 564 CG LEU A 778 4516 6476 4889 -1101 367 -229 C +ATOM 565 CD1 LEU A 778 -8.587 201.473 25.306 1.00 42.70 C +ANISOU 565 CD1 LEU A 778 4558 6702 4964 -1273 330 -290 C +ATOM 566 CD2 LEU A 778 -8.238 203.632 26.534 1.00 44.53 C +ANISOU 566 CD2 LEU A 778 4730 6945 5244 -912 328 -192 C +ATOM 567 N GLY A 779 -7.980 200.154 30.675 1.00 33.46 N +ANISOU 567 N GLY A 779 3659 5225 3829 -1253 667 -95 N +ATOM 568 CA GLY A 779 -8.468 199.553 31.908 1.00 36.00 C +ANISOU 568 CA GLY A 779 3978 5572 4125 -1330 767 -37 C +ATOM 569 C GLY A 779 -8.005 198.116 32.048 1.00 37.04 C +ANISOU 569 C GLY A 779 4269 5516 4287 -1463 840 10 C +ATOM 570 O GLY A 779 -7.225 197.634 31.219 1.00 36.60 O +ANISOU 570 O GLY A 779 4331 5300 4273 -1478 815 -12 O +ATOM 571 N ILE A 780 -8.446 197.439 33.093 1.00 35.88 N +ANISOU 571 N ILE A 780 4131 5378 4121 -1550 941 84 N +ATOM 572 CA ILE A 780 -8.080 196.032 33.243 1.00 37.97 C +ANISOU 572 CA ILE A 780 4551 5444 4433 -1676 1032 149 C +ATOM 573 C ILE A 780 -9.351 195.246 33.363 1.00 38.32 C +ANISOU 573 C ILE A 780 4516 5556 4489 -1899 1118 142 C +ATOM 574 O ILE A 780 -10.374 195.788 33.751 1.00 37.12 O +ANISOU 574 O ILE A 780 4196 5620 4288 -1921 1121 126 O +ATOM 575 CB ILE A 780 -7.183 195.736 34.474 1.00 39.30 C +ANISOU 575 CB ILE A 780 4841 5518 4572 -1573 1093 291 C +ATOM 576 CG1 ILE A 780 -7.865 196.178 35.756 1.00 41.42 C +ANISOU 576 CG1 ILE A 780 5003 5980 4754 -1551 1141 348 C +ATOM 577 CG2 ILE A 780 -5.835 196.398 34.324 1.00 40.10 C +ANISOU 577 CG2 ILE A 780 5021 5549 4664 -1376 1010 294 C +ATOM 578 CD1 ILE A 780 -7.171 195.650 37.008 1.00 43.54 C +ANISOU 578 CD1 ILE A 780 5379 6189 4973 -1496 1217 506 C +ATOM 579 N CYS A 781 -9.286 193.967 33.011 1.00 40.17 N +ANISOU 579 N CYS A 781 4868 5599 4794 -2067 1197 148 N +ATOM 580 CA ACYS A 781 -10.400 193.068 33.173 0.70 42.90 C +ANISOU 580 CA ACYS A 781 5163 5971 5164 -2310 1300 145 C +ATOM 581 CA BCYS A 781 -10.406 193.050 33.184 0.30 44.11 C +ANISOU 581 CA BCYS A 781 5317 6123 5318 -2313 1302 147 C +ATOM 582 C CYS A 781 -9.944 191.935 34.086 1.00 44.56 C +ANISOU 582 C CYS A 781 5543 5965 5421 -2356 1441 295 C +ATOM 583 O CYS A 781 -8.865 191.378 33.867 1.00 45.74 O +ANISOU 583 O CYS A 781 5872 5872 5632 -2293 1464 337 O +ATOM 584 CB ACYS A 781 -10.832 192.489 31.826 0.70 44.07 C +ANISOU 584 CB ACYS A 781 5301 6075 5366 -2511 1285 -2 C +ATOM 585 CB BCYS A 781 -10.854 192.452 31.856 0.30 46.48 C +ANISOU 585 CB BCYS A 781 5608 6378 5673 -2517 1290 0 C +ATOM 586 SG ACYS A 781 -12.254 191.414 31.988 0.70 46.71 S +ANISOU 586 SG ACYS A 781 5554 6459 5732 -2846 1412 -29 S +ATOM 587 SG BCYS A 781 -11.479 193.690 30.721 0.30 49.23 S +ANISOU 587 SG BCYS A 781 5737 7011 5954 -2473 1126 -145 S +ATOM 588 N LEU A 782 -10.737 191.650 35.091 1.00 45.26 N +ANISOU 588 N LEU A 782 5567 6151 5479 -2446 1537 386 N +ATOM 589 CA LEU A 782 -10.399 190.659 36.107 1.00 50.01 C +ANISOU 589 CA LEU A 782 6309 6584 6108 -2475 1679 567 C +ATOM 590 C LEU A 782 -11.080 189.357 35.745 1.00 54.93 C +ANISOU 590 C LEU A 782 6987 7045 6837 -2758 1810 547 C +ATOM 591 O LEU A 782 -12.190 189.101 36.153 1.00 59.25 O +ANISOU 591 O LEU A 782 7423 7719 7369 -2933 1885 557 O +ATOM 592 CB LEU A 782 -10.884 191.109 37.476 1.00 49.59 C +ANISOU 592 CB LEU A 782 6150 6746 5942 -2417 1720 686 C +ATOM 593 CG LEU A 782 -10.336 192.450 37.943 1.00 49.15 C +ANISOU 593 CG LEU A 782 6028 6869 5775 -2163 1607 680 C +ATOM 594 CD1 LEU A 782 -10.939 192.741 39.305 1.00 53.27 C +ANISOU 594 CD1 LEU A 782 6449 7607 6182 -2146 1676 779 C +ATOM 595 CD2 LEU A 782 -8.825 192.460 37.988 1.00 47.87 C +ANISOU 595 CD2 LEU A 782 6030 6537 5620 -1973 1563 752 C +ATOM 596 N THR A 783 -10.381 188.549 34.968 1.00 62.72 N +ANISOU 596 N THR A 783 8146 7747 7935 -2801 1845 511 N +ATOM 597 CA THR A 783 -10.853 187.212 34.583 1.00 71.51 C +ANISOU 597 CA THR A 783 9356 8639 9175 -3074 1992 477 C +ATOM 598 C THR A 783 -9.984 186.202 35.316 1.00 77.27 C +ANISOU 598 C THR A 783 10306 9060 9993 -3010 2140 685 C +ATOM 599 O THR A 783 -9.186 186.603 36.176 1.00 80.10 O +ANISOU 599 O THR A 783 10700 9448 10284 -2771 2113 853 O +ATOM 600 CB THR A 783 -10.726 187.015 33.051 1.00 72.46 C +ANISOU 600 CB THR A 783 9513 8655 9360 -3182 1937 255 C +ATOM 601 OG1 THR A 783 -9.572 187.719 32.565 1.00 67.10 O +ANISOU 601 OG1 THR A 783 8891 7948 8654 -2931 1812 231 O +ATOM 602 CG2 THR A 783 -11.950 187.565 32.364 1.00 74.15 C +ANISOU 602 CG2 THR A 783 9501 9164 9507 -3352 1848 73 C +ATOM 603 N SER A 784 -10.139 184.913 34.989 1.00 80.86 N +ANISOU 603 N SER A 784 10902 9225 10594 -3221 2299 675 N +ATOM 604 CA SER A 784 -9.215 183.868 35.433 1.00 81.95 C +ANISOU 604 CA SER A 784 11273 9010 10853 -3146 2451 863 C +ATOM 605 C SER A 784 -7.798 184.422 35.509 1.00 80.32 C +ANISOU 605 C SER A 784 11141 8770 10605 -2815 2350 950 C +ATOM 606 O SER A 784 -7.140 184.288 36.540 1.00 80.96 O +ANISOU 606 O SER A 784 11288 8812 10659 -2636 2397 1191 O +ATOM 607 CB SER A 784 -9.265 182.669 34.472 1.00 84.86 C +ANISOU 607 CB SER A 784 11801 9035 11404 -3372 2588 731 C +ATOM 608 N THR A 785 -7.357 185.038 34.403 1.00 76.18 N +ANISOU 608 N THR A 785 10595 8281 10066 -2746 2212 756 N +ATOM 609 CA THR A 785 -6.117 185.808 34.320 1.00 72.59 C +ANISOU 609 CA THR A 785 10164 7862 9552 -2452 2084 791 C +ATOM 610 C THR A 785 -6.479 187.301 34.145 1.00 68.91 C +ANISOU 610 C THR A 785 9491 7756 8934 -2375 1889 669 C +ATOM 611 O THR A 785 -7.465 187.641 33.478 1.00 69.00 O +ANISOU 611 O THR A 785 9371 7924 8920 -2541 1835 493 O +ATOM 612 CB THR A 785 -5.248 185.370 33.120 1.00 68.62 C +ANISOU 612 CB THR A 785 9806 7106 9160 -2423 2090 666 C +ATOM 613 N VAL A 786 -5.687 188.182 34.753 1.00 62.68 N +ANISOU 613 N VAL A 786 8668 7100 8046 -2124 1791 768 N +ATOM 614 CA VAL A 786 -5.849 189.615 34.569 1.00 56.84 C +ANISOU 614 CA VAL A 786 7762 6647 7186 -2023 1622 658 C +ATOM 615 C VAL A 786 -5.472 190.040 33.131 1.00 55.85 C +ANISOU 615 C VAL A 786 7638 6492 7091 -2004 1514 466 C +ATOM 616 O VAL A 786 -4.405 189.670 32.634 1.00 58.44 O +ANISOU 616 O VAL A 786 8101 6619 7483 -1911 1522 474 O +ATOM 617 CB VAL A 786 -4.984 190.388 35.571 1.00 55.98 C +ANISOU 617 CB VAL A 786 7638 6659 6972 -1776 1559 796 C +ATOM 618 CG1 VAL A 786 -4.957 191.881 35.242 1.00 54.72 C +ANISOU 618 CG1 VAL A 786 7338 6733 6720 -1657 1396 666 C +ATOM 619 CG2 VAL A 786 -5.471 190.124 36.998 1.00 59.26 C +ANISOU 619 CG2 VAL A 786 8021 7176 7318 -1797 1652 973 C +ATOM 620 N GLN A 787 -6.343 190.840 32.500 1.00 51.61 N +ANISOU 620 N GLN A 787 6938 6170 6499 -2080 1417 311 N +ATOM 621 CA GLN A 787 -6.120 191.380 31.156 1.00 48.74 C +ANISOU 621 CA GLN A 787 6543 5839 6135 -2062 1304 143 C +ATOM 622 C GLN A 787 -5.885 192.875 31.246 1.00 46.42 C +ANISOU 622 C GLN A 787 6125 5764 5746 -1865 1160 131 C +ATOM 623 O GLN A 787 -6.628 193.564 31.964 1.00 43.82 O +ANISOU 623 O GLN A 787 5658 5643 5348 -1848 1139 159 O +ATOM 624 CB GLN A 787 -7.355 191.146 30.292 1.00 53.36 C +ANISOU 624 CB GLN A 787 7021 6527 6726 -2306 1302 -16 C +ATOM 625 CG GLN A 787 -7.602 189.700 29.911 1.00 56.17 C +ANISOU 625 CG GLN A 787 7503 6651 7188 -2541 1443 -66 C +ATOM 626 CD GLN A 787 -8.988 189.461 29.354 1.00 60.52 C +ANISOU 626 CD GLN A 787 7914 7356 7723 -2816 1451 -210 C +ATOM 627 OE1 GLN A 787 -9.988 189.717 30.009 1.00 68.56 O +ANISOU 627 OE1 GLN A 787 8785 8570 8693 -2889 1459 -170 O +ATOM 628 NE2 GLN A 787 -9.053 188.910 28.158 1.00 62.95 N +ANISOU 628 NE2 GLN A 787 8267 7583 8068 -2980 1458 -382 N +ATOM 629 N LEU A 788 -4.835 193.353 30.568 1.00 43.61 N +ANISOU 629 N LEU A 788 5825 5348 5394 -1717 1079 95 N +ATOM 630 CA LEU A 788 -4.621 194.773 30.330 1.00 41.72 C +ANISOU 630 CA LEU A 788 5476 5286 5087 -1559 946 53 C +ATOM 631 C LEU A 788 -5.186 195.158 28.948 1.00 41.84 C +ANISOU 631 C LEU A 788 5398 5403 5093 -1641 864 -97 C +ATOM 632 O LEU A 788 -4.937 194.443 27.981 1.00 40.92 O +ANISOU 632 O LEU A 788 5365 5162 5020 -1735 883 -176 O +ATOM 633 CB LEU A 788 -3.148 195.101 30.385 1.00 42.60 C +ANISOU 633 CB LEU A 788 5690 5292 5203 -1361 906 109 C +ATOM 634 CG LEU A 788 -2.253 194.626 31.513 1.00 46.28 C +ANISOU 634 CG LEU A 788 6263 5647 5671 -1257 971 265 C +ATOM 635 CD1 LEU A 788 -0.878 195.275 31.431 1.00 45.12 C +ANISOU 635 CD1 LEU A 788 6159 5475 5507 -1059 897 292 C +ATOM 636 CD2 LEU A 788 -2.890 194.910 32.848 1.00 50.91 C +ANISOU 636 CD2 LEU A 788 6769 6386 6188 -1254 1002 352 C +ATOM 637 N ILE A 789 -5.949 196.261 28.871 1.00 38.64 N +ANISOU 637 N ILE A 789 4819 5232 4629 -1601 783 -133 N +ATOM 638 CA ILE A 789 -6.658 196.686 27.652 1.00 38.35 C +ANISOU 638 CA ILE A 789 4655 5350 4564 -1673 703 -245 C +ATOM 639 C ILE A 789 -6.097 198.061 27.315 1.00 36.09 C +ANISOU 639 C ILE A 789 4315 5145 4249 -1463 595 -238 C +ATOM 640 O ILE A 789 -5.941 198.904 28.200 1.00 34.91 O +ANISOU 640 O ILE A 789 4130 5046 4086 -1318 585 -175 O +ATOM 641 CB ILE A 789 -8.192 196.718 27.831 1.00 41.17 C +ANISOU 641 CB ILE A 789 4831 5923 4888 -1815 716 -273 C +ATOM 642 CG1 ILE A 789 -8.794 195.292 27.885 1.00 45.29 C +ANISOU 642 CG1 ILE A 789 5403 6358 5447 -2071 825 -307 C +ATOM 643 CG2 ILE A 789 -8.882 197.388 26.646 1.00 40.39 C +ANISOU 643 CG2 ILE A 789 4566 6039 4740 -1839 613 -359 C +ATOM 644 CD1 ILE A 789 -8.769 194.680 29.249 1.00 48.45 C +ANISOU 644 CD1 ILE A 789 5880 6649 5877 -2087 941 -192 C +ATOM 645 N THR A 790 -5.662 198.243 26.068 1.00 35.03 N +ANISOU 645 N THR A 790 4198 5003 4109 -1449 527 -303 N +ATOM 646 CA THR A 790 -4.991 199.478 25.651 1.00 32.27 C +ANISOU 646 CA THR A 790 3820 4695 3744 -1258 437 -286 C +ATOM 647 C THR A 790 -5.400 199.747 24.205 1.00 32.29 C +ANISOU 647 C THR A 790 3732 4832 3704 -1309 358 -359 C +ATOM 648 O THR A 790 -5.951 198.894 23.550 1.00 30.83 O +ANISOU 648 O THR A 790 3535 4681 3498 -1490 374 -438 O +ATOM 649 CB THR A 790 -3.467 199.362 25.780 1.00 32.85 C +ANISOU 649 CB THR A 790 4060 4566 3852 -1141 448 -249 C +ATOM 650 OG1 THR A 790 -2.865 200.669 25.653 1.00 35.10 O +ANISOU 650 OG1 THR A 790 4309 4895 4129 -961 374 -222 O +ATOM 651 CG2 THR A 790 -2.869 198.371 24.757 1.00 32.76 C +ANISOU 651 CG2 THR A 790 4170 4416 3860 -1232 469 -315 C +ATOM 652 N GLN A 791 -5.144 200.947 23.732 1.00 30.72 N +ANISOU 652 N GLN A 791 3465 4717 3488 -1154 279 -330 N +ATOM 653 CA GLN A 791 -5.476 201.351 22.369 1.00 32.47 C +ANISOU 653 CA GLN A 791 3588 5094 3653 -1170 197 -367 C +ATOM 654 C GLN A 791 -4.766 200.433 21.394 1.00 31.62 C +ANISOU 654 C GLN A 791 3606 4879 3527 -1273 203 -448 C +ATOM 655 O GLN A 791 -3.582 200.192 21.573 1.00 31.97 O +ANISOU 655 O GLN A 791 3805 4724 3615 -1204 236 -435 O +ATOM 656 CB GLN A 791 -4.931 202.778 22.170 1.00 33.94 C +ANISOU 656 CB GLN A 791 3738 5304 3851 -954 135 -293 C +ATOM 657 CG GLN A 791 -4.919 203.311 20.732 1.00 38.73 C +ANISOU 657 CG GLN A 791 4273 6042 4399 -924 51 -293 C +ATOM 658 CD GLN A 791 -4.234 204.681 20.642 1.00 40.48 C +ANISOU 658 CD GLN A 791 4490 6231 4657 -711 14 -205 C +ATOM 659 OE1 GLN A 791 -3.258 204.953 21.349 1.00 39.73 O +ANISOU 659 OE1 GLN A 791 4508 5961 4624 -615 48 -183 O +ATOM 660 NE2 GLN A 791 -4.757 205.547 19.791 1.00 40.94 N +ANISOU 660 NE2 GLN A 791 4411 6465 4678 -639 -48 -149 N +ATOM 661 N LEU A 792 -5.431 200.018 20.339 1.00 32.89 N +ANISOU 661 N LEU A 792 3691 5186 3616 -1423 170 -532 N +ATOM 662 CA LEU A 792 -4.793 199.229 19.286 1.00 35.54 C +ANISOU 662 CA LEU A 792 4138 5444 3921 -1523 179 -633 C +ATOM 663 C LEU A 792 -3.857 200.123 18.468 1.00 36.50 C +ANISOU 663 C LEU A 792 4276 5578 4012 -1358 111 -591 C +ATOM 664 O LEU A 792 -4.231 201.209 18.059 1.00 34.98 O +ANISOU 664 O LEU A 792 3946 5571 3774 -1256 29 -522 O +ATOM 665 CB LEU A 792 -5.846 198.566 18.401 1.00 38.02 C +ANISOU 665 CB LEU A 792 4349 5948 4147 -1754 162 -755 C +ATOM 666 CG LEU A 792 -5.337 197.689 17.261 1.00 40.43 C +ANISOU 666 CG LEU A 792 4761 6197 4404 -1892 183 -899 C +ATOM 667 CD1 LEU A 792 -4.592 196.445 17.770 1.00 40.46 C +ANISOU 667 CD1 LEU A 792 4984 5875 4511 -1967 316 -960 C +ATOM 668 CD2 LEU A 792 -6.524 197.315 16.419 1.00 43.15 C +ANISOU 668 CD2 LEU A 792 4954 6807 4635 -2116 142 -1016 C +ATOM 669 N MET A 793 -2.626 199.671 18.305 1.00 33.24 N +ANISOU 669 N MET A 793 4032 4959 3636 -1320 154 -616 N +ATOM 670 CA MET A 793 -1.649 200.333 17.498 1.00 33.33 C +ANISOU 670 CA MET A 793 4075 4968 3620 -1191 107 -587 C +ATOM 671 C MET A 793 -1.556 199.538 16.206 1.00 35.85 C +ANISOU 671 C MET A 793 4432 5332 3855 -1337 113 -720 C +ATOM 672 O MET A 793 -0.799 198.580 16.119 1.00 37.13 O +ANISOU 672 O MET A 793 4749 5302 4056 -1389 193 -799 O +ATOM 673 CB MET A 793 -0.341 200.358 18.255 1.00 32.55 C +ANISOU 673 CB MET A 793 4120 4632 3612 -1053 158 -527 C +ATOM 674 CG MET A 793 -0.482 201.113 19.568 1.00 32.77 C +ANISOU 674 CG MET A 793 4107 4639 3702 -934 156 -421 C +ATOM 675 SD MET A 793 -0.700 202.896 19.383 1.00 34.58 S +ANISOU 675 SD MET A 793 4192 5029 3918 -764 66 -321 S +ATOM 676 CE MET A 793 0.985 203.334 19.238 1.00 35.00 C +ANISOU 676 CE MET A 793 4364 4922 4010 -623 69 -280 C +ATOM 677 N PRO A 794 -2.347 199.923 15.194 1.00 39.96 N +ANISOU 677 N PRO A 794 4806 6120 4256 -1402 32 -748 N +ATOM 678 CA PRO A 794 -2.590 198.970 14.105 1.00 41.48 C +ANISOU 678 CA PRO A 794 5014 6395 4349 -1606 46 -914 C +ATOM 679 C PRO A 794 -1.394 198.481 13.313 1.00 38.99 C +ANISOU 679 C PRO A 794 4851 5945 4017 -1600 93 -998 C +ATOM 680 O PRO A 794 -1.470 197.400 12.754 1.00 41.16 O +ANISOU 680 O PRO A 794 5198 6185 4256 -1783 154 -1166 O +ATOM 681 CB PRO A 794 -3.557 199.714 13.178 1.00 44.41 C +ANISOU 681 CB PRO A 794 5173 7126 4573 -1635 -68 -890 C +ATOM 682 CG PRO A 794 -4.083 200.858 13.967 1.00 44.09 C +ANISOU 682 CG PRO A 794 5002 7163 4584 -1470 -120 -718 C +ATOM 683 CD PRO A 794 -3.088 201.187 15.010 1.00 40.56 C +ANISOU 683 CD PRO A 794 4690 6439 4278 -1298 -66 -631 C +ATOM 684 N PHE A 795 -0.339 199.267 13.225 1.00 37.83 N +ANISOU 684 N PHE A 795 4747 5731 3894 -1404 72 -893 N +ATOM 685 CA PHE A 795 0.851 198.896 12.428 1.00 37.78 C +ANISOU 685 CA PHE A 795 4868 5620 3865 -1378 117 -961 C +ATOM 686 C PHE A 795 1.838 198.066 13.234 1.00 39.24 C +ANISOU 686 C PHE A 795 5238 5480 4190 -1335 235 -979 C +ATOM 687 O PHE A 795 2.845 197.622 12.721 1.00 40.32 O +ANISOU 687 O PHE A 795 5487 5498 4332 -1307 295 -1038 O +ATOM 688 CB PHE A 795 1.540 200.146 11.829 1.00 37.67 C +ANISOU 688 CB PHE A 795 4798 5712 3801 -1199 43 -833 C +ATOM 689 CG PHE A 795 0.710 200.851 10.790 1.00 39.26 C +ANISOU 689 CG PHE A 795 4828 6241 3846 -1233 -60 -806 C +ATOM 690 CD1 PHE A 795 -0.272 201.763 11.175 1.00 40.14 C +ANISOU 690 CD1 PHE A 795 4778 6516 3955 -1175 -139 -681 C +ATOM 691 CD2 PHE A 795 0.839 200.531 9.437 1.00 44.27 C +ANISOU 691 CD2 PHE A 795 5454 7039 4326 -1329 -73 -910 C +ATOM 692 CE1 PHE A 795 -1.091 202.370 10.233 1.00 43.18 C +ANISOU 692 CE1 PHE A 795 4989 7221 4194 -1195 -233 -634 C +ATOM 693 CE2 PHE A 795 0.053 201.145 8.476 1.00 45.46 C +ANISOU 693 CE2 PHE A 795 5433 7527 4312 -1361 -174 -871 C +ATOM 694 CZ PHE A 795 -0.933 202.061 8.876 1.00 46.57 C +ANISOU 694 CZ PHE A 795 5405 7832 4458 -1289 -257 -722 C +ATOM 695 N GLY A 796 1.579 197.872 14.518 1.00 37.77 N +ANISOU 695 N GLY A 796 5076 5159 4115 -1316 271 -916 N +ATOM 696 CA GLY A 796 2.399 196.949 15.309 1.00 36.23 C +ANISOU 696 CA GLY A 796 5047 4673 4045 -1285 388 -919 C +ATOM 697 C GLY A 796 3.696 197.567 15.765 1.00 33.94 C +ANISOU 697 C GLY A 796 4808 4272 3817 -1068 384 -792 C +ATOM 698 O GLY A 796 3.796 198.782 15.942 1.00 34.05 O +ANISOU 698 O GLY A 796 4729 4395 3813 -944 299 -682 O +HETATM 699 N CSX A 797 4.702 196.732 15.997 1.00 33.84 N +ANISOU 699 N CSX A 797 4937 4035 3883 -1021 485 -806 N +HETATM 700 CA CSX A 797 5.927 197.219 16.594 1.00 33.61 C +ANISOU 700 CA CSX A 797 4943 3911 3915 -826 486 -680 C +HETATM 701 CB CSX A 797 6.611 196.143 17.446 1.00 38.81 C +ANISOU 701 CB CSX A 797 5736 4323 4687 -781 604 -648 C +HETATM 702 SG CSX A 797 7.375 194.927 16.540 1.00 46.43 S +ANISOU 702 SG CSX A 797 6842 5114 5683 -812 732 -772 S +HETATM 703 C CSX A 797 6.832 197.794 15.535 1.00 33.18 C +ANISOU 703 C CSX A 797 4877 3927 3801 -744 453 -691 C +HETATM 704 O CSX A 797 6.813 197.370 14.369 1.00 32.56 O +ANISOU 704 O CSX A 797 4823 3895 3654 -830 477 -814 O +HETATM 705 OD CSX A 797 7.493 193.830 17.549 1.00 57.35 O +ANISOU 705 OD CSX A 797 8338 6264 7189 -804 851 -723 O +ATOM 706 N LEU A 798 7.593 198.789 15.943 1.00 30.84 N +ANISOU 706 N LEU A 798 4539 3653 3524 -590 401 -569 N +ATOM 707 CA LEU A 798 8.413 199.552 15.034 1.00 31.65 C +ANISOU 707 CA LEU A 798 4609 3841 3573 -509 363 -550 C +ATOM 708 C LEU A 798 9.530 198.709 14.450 1.00 32.35 C +ANISOU 708 C LEU A 798 4803 3809 3678 -475 457 -613 C +ATOM 709 O LEU A 798 9.854 198.866 13.258 1.00 30.90 O +ANISOU 709 O LEU A 798 4610 3717 3413 -489 453 -672 O +ATOM 710 CB LEU A 798 8.943 200.798 15.726 1.00 31.47 C +ANISOU 710 CB LEU A 798 4520 3850 3586 -372 299 -413 C +ATOM 711 CG LEU A 798 9.726 201.797 14.871 1.00 29.56 C +ANISOU 711 CG LEU A 798 4230 3700 3299 -294 257 -368 C +ATOM 712 CD1 LEU A 798 8.968 202.257 13.631 1.00 31.04 C +ANISOU 712 CD1 LEU A 798 4346 4070 3377 -364 203 -401 C +ATOM 713 CD2 LEU A 798 10.114 202.967 15.764 1.00 31.97 C +ANISOU 713 CD2 LEU A 798 4478 4006 3661 -189 208 -251 C +ATOM 714 N LEU A 799 10.050 197.751 15.224 1.00 32.08 N +ANISOU 714 N LEU A 799 4867 3580 3742 -435 550 -602 N +ATOM 715 CA LEU A 799 11.080 196.860 14.707 1.00 33.53 C +ANISOU 715 CA LEU A 799 5152 3629 3958 -388 660 -660 C +ATOM 716 C LEU A 799 10.609 196.090 13.462 1.00 33.53 C +ANISOU 716 C LEU A 799 5205 3642 3890 -534 719 -846 C +ATOM 717 O LEU A 799 11.248 196.110 12.428 1.00 33.55 O +ANISOU 717 O LEU A 799 5220 3693 3833 -514 744 -912 O +ATOM 718 CB LEU A 799 11.566 195.882 15.787 1.00 33.03 C +ANISOU 718 CB LEU A 799 5183 3347 4019 -315 760 -599 C +ATOM 719 CG LEU A 799 12.672 194.922 15.303 1.00 34.30 C +ANISOU 719 CG LEU A 799 5448 3348 4235 -236 893 -645 C +ATOM 720 CD1 LEU A 799 13.907 195.680 14.824 1.00 34.93 C +ANISOU 720 CD1 LEU A 799 5469 3520 4280 -97 861 -590 C +ATOM 721 CD2 LEU A 799 13.021 193.977 16.434 1.00 37.90 C +ANISOU 721 CD2 LEU A 799 5987 3594 4818 -153 992 -551 C +ATOM 722 N ASP A 800 9.480 195.406 13.572 1.00 36.29 N +ANISOU 722 N ASP A 800 5584 3962 4243 -694 744 -938 N +ATOM 723 CA ASP A 800 8.879 194.715 12.433 1.00 39.61 C +ANISOU 723 CA ASP A 800 6039 4426 4582 -872 791 -1138 C +ATOM 724 C ASP A 800 8.504 195.652 11.313 1.00 38.83 C +ANISOU 724 C ASP A 800 5822 4611 4319 -923 679 -1174 C +ATOM 725 O ASP A 800 8.617 195.283 10.120 1.00 37.16 O +ANISOU 725 O ASP A 800 5636 4471 4009 -1006 718 -1323 O +ATOM 726 CB ASP A 800 7.609 193.945 12.855 1.00 45.81 C +ANISOU 726 CB ASP A 800 6848 5159 5397 -1058 823 -1221 C +ATOM 727 CG ASP A 800 7.923 192.648 13.629 1.00 52.65 C +ANISOU 727 CG ASP A 800 7869 5712 6422 -1053 982 -1231 C +ATOM 728 OD1 ASP A 800 9.114 192.317 13.817 1.00 53.83 O +ANISOU 728 OD1 ASP A 800 8102 5694 6656 -893 1066 -1174 O +ATOM 729 OD2 ASP A 800 6.975 191.940 14.028 1.00 58.15 O +ANISOU 729 OD2 ASP A 800 8599 6331 7162 -1208 1031 -1291 O +ATOM 730 N TYR A 801 7.983 196.814 11.673 1.00 35.74 N +ANISOU 730 N TYR A 801 5302 4386 3891 -883 549 -1043 N +ATOM 731 CA TYR A 801 7.585 197.793 10.657 1.00 35.97 C +ANISOU 731 CA TYR A 801 5207 4689 3770 -908 441 -1034 C +ATOM 732 C TYR A 801 8.801 198.204 9.818 1.00 35.88 C +ANISOU 732 C TYR A 801 5209 4713 3709 -797 455 -1012 C +ATOM 733 O TYR A 801 8.718 198.210 8.583 1.00 37.64 O +ANISOU 733 O TYR A 801 5406 5104 3792 -871 446 -1104 O +ATOM 734 CB TYR A 801 6.924 199.030 11.304 1.00 34.70 C +ANISOU 734 CB TYR A 801 4913 4656 3613 -846 321 -873 C +ATOM 735 CG TYR A 801 6.382 199.992 10.307 1.00 34.34 C +ANISOU 735 CG TYR A 801 4735 4885 3425 -864 218 -839 C +ATOM 736 CD1 TYR A 801 5.124 199.800 9.743 1.00 39.09 C +ANISOU 736 CD1 TYR A 801 5250 5685 3913 -1021 170 -921 C +ATOM 737 CD2 TYR A 801 7.143 201.044 9.880 1.00 36.56 C +ANISOU 737 CD2 TYR A 801 4972 5238 3679 -730 175 -720 C +ATOM 738 CE1 TYR A 801 4.643 200.654 8.764 1.00 39.58 C +ANISOU 738 CE1 TYR A 801 5180 6030 3830 -1025 74 -870 C +ATOM 739 CE2 TYR A 801 6.699 201.902 8.906 1.00 37.51 C +ANISOU 739 CE2 TYR A 801 4976 5607 3666 -734 92 -665 C +ATOM 740 CZ TYR A 801 5.441 201.709 8.372 1.00 39.15 C +ANISOU 740 CZ TYR A 801 5093 6023 3757 -872 39 -731 C +ATOM 741 OH TYR A 801 5.007 202.579 7.451 1.00 38.34 O +ANISOU 741 OH TYR A 801 4862 6184 3519 -857 -45 -646 O +ATOM 742 N VAL A 802 9.931 198.508 10.456 1.00 35.01 N +ANISOU 742 N VAL A 802 5133 4468 3701 -632 481 -897 N +ATOM 743 CA VAL A 802 11.136 198.921 9.667 1.00 36.77 C +ANISOU 743 CA VAL A 802 5357 4734 3880 -529 501 -870 C +ATOM 744 C VAL A 802 11.701 197.780 8.830 1.00 39.03 C +ANISOU 744 C VAL A 802 5748 4944 4136 -575 626 -1038 C +ATOM 745 O VAL A 802 12.172 198.038 7.715 1.00 38.03 O +ANISOU 745 O VAL A 802 5599 4951 3896 -571 632 -1078 O +ATOM 746 CB VAL A 802 12.279 199.617 10.444 1.00 37.54 C +ANISOU 746 CB VAL A 802 5439 4745 4077 -353 493 -711 C +ATOM 747 CG1 VAL A 802 11.771 200.878 11.135 1.00 38.18 C +ANISOU 747 CG1 VAL A 802 5418 4910 4179 -313 380 -566 C +ATOM 748 CG2 VAL A 802 12.988 198.712 11.430 1.00 39.97 C +ANISOU 748 CG2 VAL A 802 5841 4821 4521 -277 588 -703 C +ATOM 749 N ARG A 803 11.583 196.533 9.312 1.00 38.51 N +ANISOU 749 N ARG A 803 5797 4670 4165 -626 733 -1141 N +ATOM 750 CA ARG A 803 12.016 195.390 8.521 1.00 40.83 C +ANISOU 750 CA ARG A 803 6204 4862 4445 -680 874 -1326 C +ATOM 751 C ARG A 803 11.103 195.172 7.309 1.00 41.99 C +ANISOU 751 C ARG A 803 6329 5203 4422 -880 856 -1512 C +ATOM 752 O ARG A 803 11.603 194.960 6.208 1.00 41.92 O +ANISOU 752 O ARG A 803 6344 5272 4310 -901 913 -1631 O +ATOM 753 CB ARG A 803 12.109 194.114 9.371 1.00 41.80 C +ANISOU 753 CB ARG A 803 6464 4683 4734 -678 1010 -1374 C +ATOM 754 CG ARG A 803 13.173 194.164 10.448 1.00 41.14 C +ANISOU 754 CG ARG A 803 6403 4431 4797 -469 1044 -1197 C +ATOM 755 CD ARG A 803 13.066 192.981 11.424 1.00 41.93 C +ANISOU 755 CD ARG A 803 6623 4250 5058 -465 1164 -1197 C +ATOM 756 NE ARG A 803 14.220 192.936 12.323 1.00 41.89 N +ANISOU 756 NE ARG A 803 6631 4112 5172 -250 1206 -1027 N +ATOM 757 CZ ARG A 803 14.410 192.056 13.313 1.00 43.29 C +ANISOU 757 CZ ARG A 803 6894 4059 5494 -180 1305 -953 C +ATOM 758 NH1 ARG A 803 13.520 191.117 13.564 1.00 43.39 N +ANISOU 758 NH1 ARG A 803 7002 3915 5569 -315 1385 -1037 N +ATOM 759 NH2 ARG A 803 15.510 192.119 14.051 1.00 43.73 N +ANISOU 759 NH2 ARG A 803 6932 4052 5629 23 1325 -785 N +ATOM 760 N GLU A 804 9.781 195.216 7.523 1.00 41.12 N +ANISOU 760 N GLU A 804 6161 5189 4272 -1029 780 -1540 N +ATOM 761 CA GLU A 804 8.784 195.040 6.468 1.00 43.59 C +ANISOU 761 CA GLU A 804 6423 5729 4409 -1237 744 -1709 C +ATOM 762 C GLU A 804 8.824 196.158 5.409 1.00 44.21 C +ANISOU 762 C GLU A 804 6368 6134 4296 -1209 630 -1644 C +ATOM 763 O GLU A 804 8.533 195.899 4.260 1.00 49.46 O +ANISOU 763 O GLU A 804 7014 6990 4789 -1343 635 -1800 O +ATOM 764 CB GLU A 804 7.364 194.920 7.066 1.00 43.85 C +ANISOU 764 CB GLU A 804 6396 5810 4453 -1387 680 -1721 C +ATOM 765 N HIS A 805 9.202 197.378 5.766 1.00 41.56 N +ANISOU 765 N HIS A 805 5944 5861 3983 -1044 536 -1418 N +ATOM 766 CA HIS A 805 9.145 198.506 4.820 1.00 43.20 C +ANISOU 766 CA HIS A 805 6022 6367 4023 -1013 431 -1320 C +ATOM 767 C HIS A 805 10.496 199.115 4.546 1.00 42.87 C +ANISOU 767 C HIS A 805 5991 6299 3995 -844 459 -1209 C +ATOM 768 O HIS A 805 10.584 200.285 4.218 1.00 44.64 O +ANISOU 768 O HIS A 805 6113 6691 4156 -766 372 -1045 O +ATOM 769 CB HIS A 805 8.217 199.573 5.367 1.00 42.54 C +ANISOU 769 CB HIS A 805 5803 6412 3946 -982 294 -1142 C +ATOM 770 CG HIS A 805 6.822 199.085 5.522 1.00 47.02 C +ANISOU 770 CG HIS A 805 6324 7068 4473 -1154 255 -1240 C +ATOM 771 ND1 HIS A 805 6.367 198.525 6.691 1.00 44.48 N +ANISOU 771 ND1 HIS A 805 6052 6544 4301 -1188 287 -1259 N +ATOM 772 CD2 HIS A 805 5.821 198.943 4.622 1.00 48.01 C +ANISOU 772 CD2 HIS A 805 6356 7468 4415 -1320 198 -1343 C +ATOM 773 CE1 HIS A 805 5.120 198.126 6.532 1.00 46.44 C +ANISOU 773 CE1 HIS A 805 6237 6934 4474 -1366 251 -1361 C +ATOM 774 NE2 HIS A 805 4.757 198.392 5.294 1.00 48.64 N +ANISOU 774 NE2 HIS A 805 6420 7511 4549 -1449 191 -1413 N +ATOM 775 N LYS A 806 11.528 198.304 4.711 1.00 44.18 N +ANISOU 775 N LYS A 806 6281 6247 4258 -788 588 -1290 N +ATOM 776 CA LYS A 806 12.953 198.663 4.622 1.00 48.41 C +ANISOU 776 CA LYS A 806 6836 6716 4839 -624 641 -1199 C +ATOM 777 C LYS A 806 13.268 199.481 3.387 1.00 50.93 C +ANISOU 777 C LYS A 806 7071 7299 4981 -613 600 -1152 C +ATOM 778 O LYS A 806 14.044 200.404 3.424 1.00 52.15 O +ANISOU 778 O LYS A 806 7174 7481 5160 -487 574 -986 O +ATOM 779 CB LYS A 806 13.684 197.331 4.450 1.00 59.11 C +ANISOU 779 CB LYS A 806 8330 7876 6250 -628 808 -1380 C +ATOM 780 CG LYS A 806 15.079 197.219 4.993 1.00 65.82 C +ANISOU 780 CG LYS A 806 9230 8535 7243 -445 895 -1297 C +ATOM 781 CD LYS A 806 15.350 195.793 5.501 1.00 71.91 C +ANISOU 781 CD LYS A 806 10146 9021 8156 -438 1048 -1427 C +ATOM 782 CE LYS A 806 14.884 194.703 4.550 1.00 75.51 C +ANISOU 782 CE LYS A 806 10694 9473 8523 -601 1155 -1693 C +ATOM 783 NZ LYS A 806 15.866 194.487 3.459 1.00 84.20 N +ANISOU 783 NZ LYS A 806 11820 10635 9536 -554 1261 -1796 N +ATOM 784 N ASP A 807 12.676 199.066 2.277 1.00 48.76 N +ANISOU 784 N ASP A 807 6785 7220 4519 -759 605 -1309 N +ATOM 785 CA ASP A 807 12.899 199.670 0.977 1.00 54.33 C +ANISOU 785 CA ASP A 807 7414 8210 5017 -770 578 -1285 C +ATOM 786 C ASP A 807 12.154 200.976 0.758 1.00 52.59 C +ANISOU 786 C ASP A 807 7044 8236 4701 -757 426 -1082 C +ATOM 787 O ASP A 807 12.411 201.658 -0.205 1.00 53.82 O +ANISOU 787 O ASP A 807 7126 8619 4702 -735 398 -998 O +ATOM 788 CB ASP A 807 12.490 198.676 -0.122 1.00 58.24 C +ANISOU 788 CB ASP A 807 7950 8849 5327 -949 642 -1551 C +ATOM 789 CG ASP A 807 13.373 197.433 -0.146 1.00 62.08 C +ANISOU 789 CG ASP A 807 8592 9096 5898 -943 823 -1757 C +ATOM 790 OD1 ASP A 807 14.565 197.518 0.244 1.00 62.61 O +ANISOU 790 OD1 ASP A 807 8702 8989 6097 -777 897 -1670 O +ATOM 791 OD2 ASP A 807 12.875 196.364 -0.565 1.00 69.57 O +ANISOU 791 OD2 ASP A 807 9615 10033 6784 -1107 899 -2011 O +ATOM 792 N ASN A 808 11.235 201.315 1.640 1.00 50.98 N +ANISOU 792 N ASN A 808 6793 7988 4589 -764 338 -995 N +ATOM 793 CA ASN A 808 10.443 202.519 1.500 1.00 54.03 C +ANISOU 793 CA ASN A 808 7036 8586 4906 -736 206 -799 C +ATOM 794 C ASN A 808 10.563 203.522 2.616 1.00 50.69 C +ANISOU 794 C ASN A 808 6581 8006 4670 -593 157 -586 C +ATOM 795 O ASN A 808 9.787 204.464 2.664 1.00 58.12 O +ANISOU 795 O ASN A 808 7413 9078 5589 -563 62 -431 O +ATOM 796 CB ASN A 808 8.972 202.156 1.409 1.00 59.84 C +ANISOU 796 CB ASN A 808 7705 9485 5546 -888 133 -888 C +ATOM 797 CG ASN A 808 8.465 202.327 0.023 1.00 69.30 C +ANISOU 797 CG ASN A 808 8800 11054 6476 -983 78 -915 C +ATOM 798 OD1 ASN A 808 7.905 203.371 -0.312 1.00 79.13 O +ANISOU 798 OD1 ASN A 808 9906 12524 7633 -931 -26 -720 O +ATOM 799 ND2 ASN A 808 8.753 201.351 -0.832 1.00 72.14 N +ANISOU 799 ND2 ASN A 808 9226 11484 6697 -1108 158 -1144 N +ATOM 800 N ILE A 809 11.469 203.303 3.548 1.00 42.66 N +ANISOU 800 N ILE A 809 5655 6717 3835 -507 225 -582 N +ATOM 801 CA ILE A 809 11.572 204.201 4.659 1.00 41.82 C +ANISOU 801 CA ILE A 809 5522 6472 3897 -394 183 -412 C +ATOM 802 C ILE A 809 12.638 205.226 4.302 1.00 39.13 C +ANISOU 802 C ILE A 809 5149 6151 3566 -280 194 -255 C +ATOM 803 O ILE A 809 13.766 204.870 3.998 1.00 40.18 O +ANISOU 803 O ILE A 809 5337 6228 3701 -247 275 -300 O +ATOM 804 CB ILE A 809 11.866 203.456 5.973 1.00 41.36 C +ANISOU 804 CB ILE A 809 5557 6138 4017 -372 238 -480 C +ATOM 805 CG1 ILE A 809 10.588 202.699 6.400 1.00 42.67 C +ANISOU 805 CG1 ILE A 809 5731 6298 4182 -491 214 -590 C +ATOM 806 CG2 ILE A 809 12.282 204.431 7.062 1.00 40.52 C +ANISOU 806 CG2 ILE A 809 5425 5903 4067 -251 208 -316 C +ATOM 807 CD1 ILE A 809 10.794 201.726 7.531 1.00 40.75 C +ANISOU 807 CD1 ILE A 809 5592 5801 4089 -492 285 -670 C +ATOM 808 N GLY A 810 12.227 206.486 4.381 1.00 36.77 N +ANISOU 808 N GLY A 810 4761 5924 3286 -221 121 -69 N +ATOM 809 CA GLY A 810 13.063 207.633 4.138 1.00 36.81 C +ANISOU 809 CA GLY A 810 4729 5933 3324 -124 129 104 C +ATOM 810 C GLY A 810 13.572 208.335 5.383 1.00 32.75 C +ANISOU 810 C GLY A 810 4228 5200 3014 -38 134 196 C +ATOM 811 O GLY A 810 13.214 208.010 6.517 1.00 30.86 O +ANISOU 811 O GLY A 810 4020 4816 2888 -40 123 142 O +ATOM 812 N SER A 811 14.410 209.331 5.147 1.00 32.36 N +ANISOU 812 N SER A 811 4151 5140 3003 26 155 336 N +ATOM 813 CA SER A 811 15.131 209.984 6.224 1.00 31.61 C +ANISOU 813 CA SER A 811 4069 4852 3087 86 174 399 C +ATOM 814 C SER A 811 14.199 210.774 7.142 1.00 30.76 C +ANISOU 814 C SER A 811 3929 4667 3091 113 120 472 C +ATOM 815 O SER A 811 14.436 210.836 8.355 1.00 29.77 O +ANISOU 815 O SER A 811 3831 4378 3101 131 127 441 O +ATOM 816 CB SER A 811 16.257 210.889 5.668 1.00 31.70 C +ANISOU 816 CB SER A 811 4053 4879 3112 126 221 525 C +ATOM 817 OG SER A 811 15.785 211.773 4.644 1.00 29.47 O +ANISOU 817 OG SER A 811 3707 4749 2737 139 199 678 O +ATOM 818 N GLN A 812 13.127 211.316 6.575 1.00 29.90 N +ANISOU 818 N GLN A 812 3755 4690 2914 119 70 564 N +ATOM 819 CA GLN A 812 12.159 212.082 7.340 1.00 36.11 C +ANISOU 819 CA GLN A 812 4500 5417 3801 160 29 639 C +ATOM 820 C GLN A 812 11.470 211.220 8.394 1.00 32.84 C +ANISOU 820 C GLN A 812 4116 4930 3431 119 6 499 C +ATOM 821 O GLN A 812 11.405 211.598 9.559 1.00 31.21 O +ANISOU 821 O GLN A 812 3923 4574 3361 150 11 498 O +ATOM 822 CB GLN A 812 11.113 212.734 6.419 1.00 40.53 C +ANISOU 822 CB GLN A 812 4967 6168 4263 190 -18 780 C +ATOM 823 CG GLN A 812 10.174 213.688 7.139 1.00 49.92 C +ANISOU 823 CG GLN A 812 6104 7290 5574 263 -42 885 C +ATOM 824 CD GLN A 812 10.942 214.816 7.857 1.00 59.14 C +ANISOU 824 CD GLN A 812 7304 8236 6930 328 15 969 C +ATOM 825 OE1 GLN A 812 11.060 214.699 9.179 1.00 60.32 O +ANISOU 825 OE1 GLN A 812 7436 8380 7102 377 50 1124 O +ATOM 826 NE2 GLN A 812 11.409 215.775 7.234 1.00 65.38 N +ANISOU 826 NE2 GLN A 812 8140 8848 7850 318 30 864 N +ATOM 827 N TYR A 813 11.055 210.030 7.995 1.00 30.11 N +ANISOU 827 N TYR A 813 3788 4682 2970 41 -5 372 N +ATOM 828 CA TYR A 813 10.457 209.104 8.954 1.00 32.59 C +ANISOU 828 CA TYR A 813 4139 4916 3325 -11 -11 241 C +ATOM 829 C TYR A 813 11.413 208.695 10.062 1.00 30.27 C +ANISOU 829 C TYR A 813 3927 4419 3154 7 37 177 C +ATOM 830 O TYR A 813 11.056 208.742 11.247 1.00 29.01 O +ANISOU 830 O TYR A 813 3775 4153 3092 19 29 163 O +ATOM 831 CB TYR A 813 9.902 207.878 8.232 1.00 36.82 C +ANISOU 831 CB TYR A 813 4688 5581 3720 -119 -16 105 C +ATOM 832 CG TYR A 813 8.600 208.136 7.545 1.00 43.70 C +ANISOU 832 CG TYR A 813 5456 6673 4475 -158 -85 147 C +ATOM 833 CD1 TYR A 813 7.431 208.156 8.259 1.00 49.54 C +ANISOU 833 CD1 TYR A 813 6142 7424 5256 -176 -127 144 C +ATOM 834 CD2 TYR A 813 8.535 208.329 6.177 1.00 55.12 C +ANISOU 834 CD2 TYR A 813 6844 8341 5756 -177 -108 192 C +ATOM 835 CE1 TYR A 813 6.219 208.365 7.647 1.00 55.27 C +ANISOU 835 CE1 TYR A 813 6751 8378 5871 -208 -193 188 C +ATOM 836 CE2 TYR A 813 7.326 208.547 5.549 1.00 61.92 C +ANISOU 836 CE2 TYR A 813 7590 9443 6493 -210 -180 241 C +ATOM 837 CZ TYR A 813 6.166 208.564 6.302 1.00 58.56 C +ANISOU 837 CZ TYR A 813 7104 9025 6121 -223 -224 240 C +ATOM 838 OH TYR A 813 4.944 208.772 5.726 1.00 64.52 O +ANISOU 838 OH TYR A 813 7721 10038 6753 -251 -298 295 O +ATOM 839 N LEU A 814 12.629 208.286 9.704 1.00 28.55 N +ANISOU 839 N LEU A 814 3760 4164 2922 15 89 142 N +ATOM 840 CA LEU A 814 13.601 207.812 10.693 1.00 27.52 C +ANISOU 840 CA LEU A 814 3690 3873 2890 43 135 94 C +ATOM 841 C LEU A 814 13.886 208.890 11.711 1.00 27.02 C +ANISOU 841 C LEU A 814 3597 3716 2950 98 120 178 C +ATOM 842 O LEU A 814 13.890 208.657 12.937 1.00 25.75 O +ANISOU 842 O LEU A 814 3459 3454 2868 105 121 143 O +ATOM 843 CB LEU A 814 14.897 207.350 10.028 1.00 28.40 C +ANISOU 843 CB LEU A 814 3836 3986 2965 62 198 65 C +ATOM 844 CG LEU A 814 14.780 206.042 9.268 1.00 30.18 C +ANISOU 844 CG LEU A 814 4118 4255 3092 6 241 -64 C +ATOM 845 CD1 LEU A 814 15.912 205.869 8.269 1.00 31.75 C +ANISOU 845 CD1 LEU A 814 4327 4509 3225 30 305 -77 C +ATOM 846 CD2 LEU A 814 14.729 204.848 10.224 1.00 29.76 C +ANISOU 846 CD2 LEU A 814 4141 4057 3110 -4 280 -165 C +ATOM 847 N LEU A 815 14.122 210.108 11.249 1.00 27.03 N +ANISOU 847 N LEU A 815 3550 3749 2969 130 113 289 N +ATOM 848 CA LEU A 815 14.455 211.170 12.210 1.00 28.09 C +ANISOU 848 CA LEU A 815 3665 3775 3230 165 115 346 C +ATOM 849 C LEU A 815 13.274 211.584 13.072 1.00 27.63 C +ANISOU 849 C LEU A 815 3586 3679 3230 171 82 348 C +ATOM 850 O LEU A 815 13.444 211.839 14.280 1.00 26.99 O +ANISOU 850 O LEU A 815 3516 3500 3240 178 88 316 O +ATOM 851 CB LEU A 815 15.076 212.386 11.500 1.00 29.27 C +ANISOU 851 CB LEU A 815 3778 3936 3404 190 138 466 C +ATOM 852 CG LEU A 815 16.405 212.050 10.840 1.00 30.21 C +ANISOU 852 CG LEU A 815 3908 4090 3480 184 182 462 C +ATOM 853 CD1 LEU A 815 16.742 213.070 9.746 1.00 31.50 C +ANISOU 853 CD1 LEU A 815 4032 4313 3622 196 206 596 C +ATOM 854 CD2 LEU A 815 17.560 211.883 11.821 1.00 31.53 C +ANISOU 854 CD2 LEU A 815 4086 4167 3726 184 209 410 C +ATOM 855 N ASN A 816 12.083 211.635 12.486 1.00 28.06 N +ANISOU 855 N ASN A 816 3603 3831 3226 169 48 380 N +ATOM 856 CA ASN A 816 10.888 211.920 13.271 1.00 30.54 C +ANISOU 856 CA ASN A 816 3885 4128 3589 180 22 378 C +ATOM 857 C ASN A 816 10.657 210.818 14.296 1.00 27.54 C +ANISOU 857 C ASN A 816 3548 3702 3213 134 21 258 C +ATOM 858 O ASN A 816 10.265 211.105 15.377 1.00 28.08 O +ANISOU 858 O ASN A 816 3609 3705 3352 147 22 241 O +ATOM 859 CB ASN A 816 9.647 212.054 12.400 1.00 35.89 C +ANISOU 859 CB ASN A 816 4492 4958 4185 185 -18 438 C +ATOM 860 CG ASN A 816 9.572 213.402 11.669 1.00 50.44 C +ANISOU 860 CG ASN A 816 6278 6832 6055 261 -14 601 C +ATOM 861 OD1 ASN A 816 10.112 214.451 12.277 1.00 60.84 O +ANISOU 861 OD1 ASN A 816 7534 8311 7268 271 -44 682 O +ATOM 862 ND2 ASN A 816 9.006 213.492 10.580 1.00 55.85 N +ANISOU 862 ND2 ASN A 816 6978 7366 6875 310 28 652 N +ATOM 863 N TRP A 817 10.905 209.555 13.970 1.00 28.03 N +ANISOU 863 N TRP A 817 3657 3791 3201 83 30 178 N +ATOM 864 CA TRP A 817 10.716 208.521 15.013 1.00 27.91 C +ANISOU 864 CA TRP A 817 3690 3706 3207 46 43 89 C +ATOM 865 C TRP A 817 11.661 208.731 16.172 1.00 27.20 C +ANISOU 865 C TRP A 817 3627 3506 3200 85 66 88 C +ATOM 866 O TRP A 817 11.276 208.534 17.328 1.00 27.24 O +ANISOU 866 O TRP A 817 3639 3467 3243 78 66 60 O +ATOM 867 CB TRP A 817 10.883 207.103 14.457 1.00 28.46 C +ANISOU 867 CB TRP A 817 3820 3787 3204 -11 72 1 C +ATOM 868 CG TRP A 817 9.854 206.715 13.491 1.00 28.96 C +ANISOU 868 CG TRP A 817 3855 3977 3170 -82 48 -34 C +ATOM 869 CD1 TRP A 817 8.583 207.157 13.452 1.00 29.53 C +ANISOU 869 CD1 TRP A 817 3851 4149 3220 -104 1 -6 C +ATOM 870 CD2 TRP A 817 9.990 205.782 12.409 1.00 29.36 C +ANISOU 870 CD2 TRP A 817 3943 4089 3123 -147 73 -116 C +ATOM 871 NE1 TRP A 817 7.917 206.598 12.382 1.00 31.32 N +ANISOU 871 NE1 TRP A 817 4051 4520 3328 -186 -17 -58 N +ATOM 872 CE2 TRP A 817 8.756 205.732 11.745 1.00 30.23 C +ANISOU 872 CE2 TRP A 817 3989 4354 3140 -222 29 -138 C +ATOM 873 CE3 TRP A 817 11.053 205.042 11.897 1.00 29.56 C +ANISOU 873 CE3 TRP A 817 4040 4065 3124 -145 133 -175 C +ATOM 874 CZ2 TRP A 817 8.545 204.937 10.607 1.00 33.76 C +ANISOU 874 CZ2 TRP A 817 4448 4915 3461 -316 39 -235 C +ATOM 875 CZ3 TRP A 817 10.853 204.272 10.762 1.00 30.10 C +ANISOU 875 CZ3 TRP A 817 4131 4224 3080 -226 155 -273 C +ATOM 876 CH2 TRP A 817 9.608 204.220 10.126 1.00 31.16 C +ANISOU 876 CH2 TRP A 817 4206 4520 3113 -320 107 -310 C +ATOM 877 N CYS A 818 12.919 209.096 15.887 1.00 26.75 N +ANISOU 877 N CYS A 818 3576 3425 3160 117 86 119 N +ATOM 878 CA CYS A 818 13.860 209.369 16.961 1.00 25.61 C +ANISOU 878 CA CYS A 818 3436 3213 3081 142 100 117 C +ATOM 879 C CYS A 818 13.398 210.527 17.843 1.00 25.90 C +ANISOU 879 C CYS A 818 3435 3216 3189 149 85 132 C +ATOM 880 O CYS A 818 13.579 210.513 19.083 1.00 25.31 O +ANISOU 880 O CYS A 818 3361 3108 3145 146 87 96 O +ATOM 881 CB CYS A 818 15.277 209.686 16.434 1.00 24.03 C +ANISOU 881 CB CYS A 818 3227 3016 2888 164 124 150 C +ATOM 882 SG CYS A 818 16.043 208.391 15.471 1.00 29.22 S +ANISOU 882 SG CYS A 818 3927 3702 3473 175 165 121 S +ATOM 883 N VAL A 819 12.877 211.571 17.229 1.00 25.34 N +ANISOU 883 N VAL A 819 3328 3155 3144 163 80 188 N +ATOM 884 CA VAL A 819 12.300 212.650 18.010 1.00 26.97 C +ANISOU 884 CA VAL A 819 3505 3310 3430 180 84 193 C +ATOM 885 C VAL A 819 11.175 212.169 18.940 1.00 25.67 C +ANISOU 885 C VAL A 819 3337 3159 3257 170 72 140 C +ATOM 886 O VAL A 819 11.136 212.490 20.146 1.00 26.74 O +ANISOU 886 O VAL A 819 3471 3253 3435 166 85 92 O +ATOM 887 CB VAL A 819 11.759 213.793 17.110 1.00 26.04 C +ANISOU 887 CB VAL A 819 3348 3193 3350 220 92 288 C +ATOM 888 CG1 VAL A 819 11.026 214.859 17.931 1.00 26.61 C +ANISOU 888 CG1 VAL A 819 3396 3192 3522 252 116 287 C +ATOM 889 CG2 VAL A 819 12.882 214.426 16.291 1.00 27.74 C +ANISOU 889 CG2 VAL A 819 3567 3386 3587 223 117 354 C +ATOM 890 N GLN A 820 10.248 211.414 18.381 1.00 25.57 N +ANISOU 890 N GLN A 820 3317 3218 3181 154 50 143 N +ATOM 891 CA GLN A 820 9.055 211.026 19.140 1.00 25.34 C +ANISOU 891 CA GLN A 820 3268 3216 3144 136 43 104 C +ATOM 892 C GLN A 820 9.410 210.062 20.263 1.00 26.04 C +ANISOU 892 C GLN A 820 3404 3272 3217 102 56 40 C +ATOM 893 O GLN A 820 8.868 210.145 21.345 1.00 23.35 O +ANISOU 893 O GLN A 820 3050 2927 2895 98 65 10 O +ATOM 894 CB GLN A 820 8.036 210.372 18.212 1.00 26.24 C +ANISOU 894 CB GLN A 820 3352 3433 3183 103 16 113 C +ATOM 895 CG GLN A 820 7.433 211.376 17.239 1.00 28.47 C +ANISOU 895 CG GLN A 820 3563 3785 3467 153 -2 202 C +ATOM 896 CD GLN A 820 6.438 210.738 16.312 1.00 33.94 C +ANISOU 896 CD GLN A 820 4206 4626 4062 108 -39 206 C +ATOM 897 OE1 GLN A 820 5.912 209.655 16.554 1.00 32.61 O +ANISOU 897 OE1 GLN A 820 4049 4495 3844 31 -44 131 O +ATOM 898 NE2 GLN A 820 6.165 211.420 15.236 1.00 38.79 N +ANISOU 898 NE2 GLN A 820 4758 5334 4644 150 -62 300 N +ATOM 899 N ILE A 821 10.328 209.136 20.005 1.00 23.59 N +ANISOU 899 N ILE A 821 3145 2944 2870 86 64 29 N +ATOM 900 CA ILE A 821 10.771 208.256 21.067 1.00 25.54 C +ANISOU 900 CA ILE A 821 3434 3161 3109 76 82 1 C +ATOM 901 C ILE A 821 11.443 209.035 22.209 1.00 25.98 C +ANISOU 901 C ILE A 821 3469 3201 3199 100 84 -4 C +ATOM 902 O ILE A 821 11.241 208.723 23.439 1.00 26.26 O +ANISOU 902 O ILE A 821 3506 3249 3221 90 91 -25 O +ATOM 903 CB ILE A 821 11.704 207.170 20.500 1.00 25.10 C +ANISOU 903 CB ILE A 821 3433 3079 3023 79 104 3 C +ATOM 904 CG1 ILE A 821 10.936 206.220 19.591 1.00 25.37 C +ANISOU 904 CG1 ILE A 821 3498 3124 3015 28 115 -27 C +ATOM 905 CG2 ILE A 821 12.304 206.351 21.613 1.00 26.64 C +ANISOU 905 CG2 ILE A 821 3662 3241 3218 96 128 8 C +ATOM 906 CD1 ILE A 821 11.855 205.409 18.654 1.00 27.22 C +ANISOU 906 CD1 ILE A 821 3786 3331 3224 36 149 -41 C +ATOM 907 N ALA A 822 12.252 210.029 21.847 1.00 24.90 N +ANISOU 907 N ALA A 822 3311 3050 3100 119 81 8 N +ATOM 908 CA ALA A 822 12.910 210.879 22.840 1.00 24.82 C +ANISOU 908 CA ALA A 822 3275 3032 3122 116 86 -20 C +ATOM 909 C ALA A 822 11.880 211.716 23.624 1.00 26.55 C +ANISOU 909 C ALA A 822 3469 3241 3377 110 97 -63 C +ATOM 910 O ALA A 822 12.035 211.892 24.846 1.00 25.26 O +ANISOU 910 O ALA A 822 3295 3100 3201 91 104 -117 O +ATOM 911 CB ALA A 822 13.995 211.764 22.204 1.00 25.76 C +ANISOU 911 CB ALA A 822 3377 3128 3283 118 92 -1 C +ATOM 912 N LYS A 823 10.828 212.199 22.957 1.00 25.81 N +ANISOU 912 N LYS A 823 3358 3130 3317 130 102 -39 N +ATOM 913 CA LYS A 823 9.730 212.850 23.645 1.00 24.55 C +ANISOU 913 CA LYS A 823 3167 2965 3193 143 123 -73 C +ATOM 914 C LYS A 823 9.056 211.968 24.682 1.00 24.34 C +ANISOU 914 C LYS A 823 3142 2997 3109 117 124 -112 C +ATOM 915 O LYS A 823 8.844 212.375 25.832 1.00 25.50 O +ANISOU 915 O LYS A 823 3274 3154 3258 110 148 -172 O +ATOM 916 CB LYS A 823 8.678 213.380 22.675 1.00 26.61 C +ANISOU 916 CB LYS A 823 3390 3226 3492 187 125 -14 C +ATOM 917 CG LYS A 823 9.129 214.661 21.985 1.00 27.41 C +ANISOU 917 CG LYS A 823 3484 3250 3680 226 150 31 C +ATOM 918 CD LYS A 823 8.074 215.118 21.011 1.00 28.77 C +ANISOU 918 CD LYS A 823 3607 3447 3875 288 148 121 C +ATOM 919 CE LYS A 823 8.544 216.420 20.405 1.00 32.88 C +ANISOU 919 CE LYS A 823 4127 3870 4493 335 188 189 C +ATOM 920 NZ LYS A 823 7.582 217.015 19.478 1.00 33.61 N +ANISOU 920 NZ LYS A 823 4164 3990 4616 418 192 308 N +ATOM 921 N GLY A 824 8.715 210.756 24.293 1.00 23.07 N +ANISOU 921 N GLY A 824 2999 2873 2891 96 106 -82 N +ATOM 922 CA GLY A 824 8.106 209.851 25.226 1.00 24.42 C +ANISOU 922 CA GLY A 824 3177 3087 3012 64 117 -100 C +ATOM 923 C GLY A 824 9.003 209.549 26.391 1.00 25.22 C +ANISOU 923 C GLY A 824 3302 3204 3075 55 124 -119 C +ATOM 924 O GLY A 824 8.531 209.453 27.505 1.00 25.17 O +ANISOU 924 O GLY A 824 3281 3244 3035 40 142 -146 O +ATOM 925 N MET A 825 10.295 209.342 26.131 1.00 27.05 N +ANISOU 925 N MET A 825 3559 3418 3299 67 109 -96 N +ATOM 926 CA MET A 825 11.240 209.011 27.166 1.00 24.85 C +ANISOU 926 CA MET A 825 3283 3186 2970 67 107 -95 C +ATOM 927 C MET A 825 11.464 210.170 28.092 1.00 26.29 C +ANISOU 927 C MET A 825 3424 3409 3155 51 110 -167 C +ATOM 928 O MET A 825 11.559 209.975 29.313 1.00 25.87 O +ANISOU 928 O MET A 825 3355 3439 3034 35 113 -188 O +ATOM 929 CB MET A 825 12.572 208.515 26.569 1.00 27.50 C +ANISOU 929 CB MET A 825 3637 3508 3301 94 94 -46 C +ATOM 930 CG MET A 825 12.490 207.131 25.944 1.00 27.14 C +ANISOU 930 CG MET A 825 3646 3420 3244 109 111 9 C +ATOM 931 SD MET A 825 11.857 205.845 27.042 1.00 29.07 S +ANISOU 931 SD MET A 825 3925 3680 3439 99 142 52 S +ATOM 932 CE MET A 825 13.069 205.952 28.330 1.00 30.50 C +ANISOU 932 CE MET A 825 4064 3964 3558 137 126 88 C +ATOM 933 N ASN A 826 11.533 211.405 27.554 1.00 25.92 N +ANISOU 933 N ASN A 826 3359 3305 3182 51 117 -209 N +ATOM 934 CA ASN A 826 11.597 212.573 28.397 1.00 25.04 C +ANISOU 934 CA ASN A 826 3220 3201 3093 23 141 -304 C +ATOM 935 C ASN A 826 10.406 212.699 29.332 1.00 26.07 C +ANISOU 935 C ASN A 826 3336 3366 3201 19 173 -359 C +ATOM 936 O ASN A 826 10.547 213.099 30.497 1.00 25.69 O +ANISOU 936 O ASN A 826 3269 3384 3108 -15 191 -445 O +ATOM 937 CB ASN A 826 11.735 213.852 27.550 1.00 26.66 C +ANISOU 937 CB ASN A 826 3422 3298 3408 29 164 -324 C +ATOM 938 CG ASN A 826 11.832 215.087 28.391 1.00 28.76 C +ANISOU 938 CG ASN A 826 3673 3538 3717 -9 209 -441 C +ATOM 939 OD1 ASN A 826 12.866 215.362 28.969 1.00 28.68 O +ANISOU 939 OD1 ASN A 826 3647 3572 3675 -67 202 -503 O +ATOM 940 ND2 ASN A 826 10.794 215.881 28.402 1.00 29.90 N +ANISOU 940 ND2 ASN A 826 3815 3608 3938 21 260 -476 N +ATOM 941 N TYR A 827 9.218 212.393 28.830 1.00 26.75 N +ANISOU 941 N TYR A 827 3421 3427 3312 48 183 -318 N +ATOM 942 CA TYR A 827 8.029 212.399 29.643 1.00 26.56 C +ANISOU 942 CA TYR A 827 3372 3451 3266 47 218 -357 C +ATOM 943 C TYR A 827 8.150 211.397 30.782 1.00 26.30 C +ANISOU 943 C TYR A 827 3345 3528 3118 13 213 -350 C +ATOM 944 O TYR A 827 7.879 211.716 31.962 1.00 27.00 O +ANISOU 944 O TYR A 827 3410 3693 3154 -7 244 -422 O +ATOM 945 CB TYR A 827 6.773 212.131 28.797 1.00 28.18 C +ANISOU 945 CB TYR A 827 3557 3640 3510 76 221 -301 C +ATOM 946 CG TYR A 827 5.561 211.866 29.655 1.00 27.76 C +ANISOU 946 CG TYR A 827 3466 3662 3418 67 257 -326 C +ATOM 947 CD1 TYR A 827 4.856 212.927 30.212 1.00 30.11 C +ANISOU 947 CD1 TYR A 827 3721 3958 3760 99 312 -401 C +ATOM 948 CD2 TYR A 827 5.167 210.562 29.960 1.00 28.18 C +ANISOU 948 CD2 TYR A 827 3529 3780 3395 25 249 -278 C +ATOM 949 CE1 TYR A 827 3.767 212.719 31.030 1.00 31.04 C +ANISOU 949 CE1 TYR A 827 3794 4159 3839 94 354 -428 C +ATOM 950 CE2 TYR A 827 4.075 210.322 30.786 1.00 30.08 C +ANISOU 950 CE2 TYR A 827 3729 4100 3597 6 289 -297 C +ATOM 951 CZ TYR A 827 3.379 211.405 31.311 1.00 31.94 C +ANISOU 951 CZ TYR A 827 3910 4355 3867 42 338 -372 C +ATOM 952 OH TYR A 827 2.297 211.177 32.088 1.00 31.85 O +ANISOU 952 OH TYR A 827 3849 4435 3815 27 384 -390 O +ATOM 953 N LEU A 828 8.581 210.199 30.449 1.00 26.30 N +ANISOU 953 N LEU A 828 3377 3536 3077 9 183 -261 N +ATOM 954 CA LEU A 828 8.766 209.180 31.496 1.00 27.94 C +ANISOU 954 CA LEU A 828 3595 3837 3183 -8 186 -218 C +ATOM 955 C LEU A 828 9.760 209.679 32.534 1.00 28.58 C +ANISOU 955 C LEU A 828 3650 4016 3193 -22 174 -268 C +ATOM 956 O LEU A 828 9.514 209.552 33.742 1.00 27.69 O +ANISOU 956 O LEU A 828 3514 4018 2986 -44 192 -290 O +ATOM 957 CB LEU A 828 9.230 207.850 30.916 1.00 27.71 C +ANISOU 957 CB LEU A 828 3614 3768 3144 4 171 -110 C +ATOM 958 CG LEU A 828 8.248 207.126 30.009 1.00 29.25 C +ANISOU 958 CG LEU A 828 3837 3891 3384 -11 187 -74 C +ATOM 959 CD1 LEU A 828 8.858 205.808 29.553 1.00 30.64 C +ANISOU 959 CD1 LEU A 828 4075 4010 3556 -2 192 9 C +ATOM 960 CD2 LEU A 828 6.935 206.875 30.765 1.00 28.47 C +ANISOU 960 CD2 LEU A 828 3714 3849 3254 -49 225 -83 C +ATOM 961 N GLU A 829 10.848 210.298 32.087 1.00 26.69 N +ANISOU 961 N GLU A 829 3404 3749 2988 -20 147 -296 N +ATOM 962 CA GLU A 829 11.820 210.885 33.025 1.00 27.99 C +ANISOU 962 CA GLU A 829 3528 4025 3082 -57 132 -366 C +ATOM 963 C GLU A 829 11.180 211.951 33.927 1.00 29.73 C +ANISOU 963 C GLU A 829 3722 4286 3288 -102 175 -510 C +ATOM 964 O GLU A 829 11.435 211.997 35.145 1.00 27.98 O +ANISOU 964 O GLU A 829 3465 4216 2948 -143 176 -566 O +ATOM 965 CB GLU A 829 13.060 211.431 32.276 1.00 28.96 C +ANISOU 965 CB GLU A 829 3640 4105 3259 -64 103 -377 C +ATOM 966 CG GLU A 829 14.069 212.125 33.181 1.00 31.18 C +ANISOU 966 CG GLU A 829 3863 4513 3468 -128 86 -470 C +ATOM 967 CD GLU A 829 15.412 212.432 32.528 1.00 33.73 C +ANISOU 967 CD GLU A 829 4158 4830 3826 -144 55 -459 C +ATOM 968 OE1 GLU A 829 16.307 212.873 33.280 1.00 36.73 O +ANISOU 968 OE1 GLU A 829 4477 5346 4133 -209 33 -530 O +ATOM 969 OE2 GLU A 829 15.580 212.255 31.305 1.00 33.80 O +ANISOU 969 OE2 GLU A 829 4198 4720 3923 -101 52 -387 O +ATOM 970 N ASP A 830 10.349 212.822 33.362 1.00 29.15 N +ANISOU 970 N ASP A 830 3660 4087 3328 -89 217 -572 N +ATOM 971 CA ASP A 830 9.654 213.802 34.176 1.00 30.87 C +ANISOU 971 CA ASP A 830 3859 4318 3552 -114 279 -712 C +ATOM 972 C ASP A 830 8.791 213.096 35.234 1.00 31.65 C +ANISOU 972 C ASP A 830 3939 4550 3536 -118 301 -702 C +ATOM 973 O ASP A 830 8.548 213.654 36.304 1.00 32.91 O +ANISOU 973 O ASP A 830 4074 4798 3631 -155 345 -823 O +ATOM 974 CB ASP A 830 8.692 214.703 33.359 1.00 35.10 C +ANISOU 974 CB ASP A 830 4403 4692 4239 -65 333 -740 C +ATOM 975 CG ASP A 830 9.405 215.802 32.557 1.00 39.18 C +ANISOU 975 CG ASP A 830 4937 5067 4879 -69 345 -779 C +ATOM 976 OD1 ASP A 830 10.528 216.195 32.882 1.00 39.69 O +ANISOU 976 OD1 ASP A 830 4999 5159 4920 -134 333 -847 O +ATOM 977 OD2 ASP A 830 8.791 216.281 31.582 1.00 47.14 O +ANISOU 977 OD2 ASP A 830 5954 5946 6010 -8 371 -733 O +ATOM 978 N ARG A 831 8.259 211.927 34.913 1.00 31.30 N +ANISOU 978 N ARG A 831 3908 4511 3472 -87 284 -569 N +ATOM 979 CA ARG A 831 7.440 211.171 35.878 1.00 33.84 C +ANISOU 979 CA ARG A 831 4213 4953 3689 -99 312 -537 C +ATOM 980 C ARG A 831 8.269 210.287 36.843 1.00 32.79 C +ANISOU 980 C ARG A 831 4076 4981 3402 -123 280 -466 C +ATOM 981 O ARG A 831 7.709 209.494 37.625 1.00 31.16 O +ANISOU 981 O ARG A 831 3860 4877 3099 -131 304 -401 O +ATOM 982 CB ARG A 831 6.432 210.325 35.132 1.00 33.77 C +ANISOU 982 CB ARG A 831 4219 4876 3735 -75 320 -432 C +ATOM 983 CG ARG A 831 5.512 211.188 34.262 1.00 38.20 C +ANISOU 983 CG ARG A 831 4759 5327 4424 -41 348 -483 C +ATOM 984 CD ARG A 831 4.575 212.028 35.114 1.00 45.90 C +ANISOU 984 CD ARG A 831 5688 6357 5394 -36 420 -594 C +ATOM 985 NE ARG A 831 3.677 211.023 35.684 1.00 57.35 N +ANISOU 985 NE ARG A 831 7116 7910 6763 -61 443 -530 N +ATOM 986 CZ ARG A 831 3.431 210.802 36.965 1.00 62.05 C +ANISOU 986 CZ ARG A 831 7689 8646 7238 -94 483 -560 C +ATOM 987 NH1 ARG A 831 3.919 211.602 37.924 1.00 71.85 N +ANISOU 987 NH1 ARG A 831 8920 9965 8412 -110 509 -684 N +ATOM 988 NH2 ARG A 831 2.619 209.796 37.272 1.00 59.45 N +ANISOU 988 NH2 ARG A 831 7345 8388 6855 -122 506 -472 N +ATOM 989 N ARG A 832 9.586 210.413 36.742 1.00 32.22 N +ANISOU 989 N ARG A 832 3999 4934 3309 -128 229 -462 N +ATOM 990 CA ARG A 832 10.558 209.633 37.528 1.00 33.02 C +ANISOU 990 CA ARG A 832 4077 5200 3267 -130 188 -373 C +ATOM 991 C ARG A 832 10.496 208.125 37.260 1.00 30.81 C +ANISOU 991 C ARG A 832 3835 4891 2979 -77 183 -177 C +ATOM 992 O ARG A 832 10.855 207.327 38.115 1.00 30.39 O +ANISOU 992 O ARG A 832 3765 4978 2803 -63 175 -70 O +ATOM 993 CB ARG A 832 10.392 209.894 39.001 1.00 34.81 C +ANISOU 993 CB ARG A 832 4254 5637 3333 -179 209 -447 C +ATOM 994 CG ARG A 832 10.408 211.351 39.367 1.00 39.20 C +ANISOU 994 CG ARG A 832 4782 6213 3897 -243 236 -667 C +ATOM 995 CD ARG A 832 10.380 211.446 40.871 1.00 44.02 C +ANISOU 995 CD ARG A 832 5340 7071 4313 -299 253 -740 C +ATOM 996 NE ARG A 832 10.133 212.812 41.288 1.00 51.85 N +ANISOU 996 NE ARG A 832 6317 8061 5319 -366 308 -978 N +ATOM 997 CZ ARG A 832 9.198 213.219 42.151 1.00 60.82 C +ANISOU 997 CZ ARG A 832 7440 9275 6392 -393 384 -1097 C +ATOM 998 NH1 ARG A 832 8.357 212.358 42.759 1.00 63.31 N +ANISOU 998 NH1 ARG A 832 7746 9699 6607 -367 411 -992 N +ATOM 999 NH2 ARG A 832 9.135 214.528 42.448 1.00 63.83 N +ANISOU 999 NH2 ARG A 832 7819 9624 6809 -453 445 -1331 N +ATOM 1000 N LEU A 833 10.128 207.742 36.047 1.00 30.53 N +ANISOU 1000 N LEU A 833 3851 4674 3073 -49 189 -127 N +ATOM 1001 CA LEU A 833 10.064 206.332 35.671 1.00 30.59 C +ANISOU 1001 CA LEU A 833 3910 4614 3097 -12 201 31 C +ATOM 1002 C LEU A 833 11.285 205.972 34.843 1.00 30.90 C +ANISOU 1002 C LEU A 833 3969 4586 3183 39 164 97 C +ATOM 1003 O LEU A 833 11.598 206.684 33.881 1.00 29.62 O +ANISOU 1003 O LEU A 833 3808 4336 3107 38 141 26 O +ATOM 1004 CB LEU A 833 8.822 206.078 34.834 1.00 31.41 C +ANISOU 1004 CB LEU A 833 4052 4578 3301 -31 237 23 C +ATOM 1005 CG LEU A 833 7.508 206.099 35.589 1.00 34.38 C +ANISOU 1005 CG LEU A 833 4406 5020 3637 -75 287 -5 C +ATOM 1006 CD1 LEU A 833 6.330 206.237 34.641 1.00 33.21 C +ANISOU 1006 CD1 LEU A 833 4261 4764 3593 -98 309 -47 C +ATOM 1007 CD2 LEU A 833 7.317 204.862 36.464 1.00 37.12 C +ANISOU 1007 CD2 LEU A 833 4772 5434 3896 -83 326 129 C +ATOM 1008 N VAL A 834 11.976 204.893 35.223 1.00 28.33 N +ANISOU 1008 N VAL A 834 3654 4306 2802 91 165 243 N +ATOM 1009 CA VAL A 834 12.998 204.279 34.405 1.00 27.10 C +ANISOU 1009 CA VAL A 834 3524 4070 2703 159 152 329 C +ATOM 1010 C VAL A 834 12.345 203.121 33.686 1.00 26.81 C +ANISOU 1010 C VAL A 834 3577 3858 2752 173 210 407 C +ATOM 1011 O VAL A 834 11.790 202.201 34.319 1.00 26.88 O +ANISOU 1011 O VAL A 834 3619 3866 2729 173 259 504 O +ATOM 1012 CB VAL A 834 14.209 203.823 35.231 1.00 29.01 C +ANISOU 1012 CB VAL A 834 3711 4470 2840 226 126 448 C +ATOM 1013 CG1 VAL A 834 15.297 203.265 34.339 1.00 32.35 C +ANISOU 1013 CG1 VAL A 834 4147 4811 3331 310 122 530 C +ATOM 1014 CG2 VAL A 834 14.776 204.996 36.012 1.00 31.17 C +ANISOU 1014 CG2 VAL A 834 3886 4945 3010 177 69 341 C +ATOM 1015 N HIS A 835 12.427 203.125 32.358 1.00 26.12 N +ANISOU 1015 N HIS A 835 3530 3624 2769 177 212 365 N +ATOM 1016 CA HIS A 835 11.695 202.163 31.565 1.00 26.97 C +ANISOU 1016 CA HIS A 835 3720 3569 2955 158 267 391 C +ATOM 1017 C HIS A 835 12.315 200.785 31.682 1.00 28.76 C +ANISOU 1017 C HIS A 835 4006 3724 3196 230 322 537 C +ATOM 1018 O HIS A 835 11.614 199.753 31.903 1.00 28.20 O +ANISOU 1018 O HIS A 835 4000 3567 3148 207 392 605 O +ATOM 1019 CB HIS A 835 11.644 202.615 30.110 1.00 27.51 C +ANISOU 1019 CB HIS A 835 3807 3536 3107 138 251 299 C +ATOM 1020 CG HIS A 835 10.804 201.734 29.250 1.00 27.79 C +ANISOU 1020 CG HIS A 835 3916 3434 3206 90 302 289 C +ATOM 1021 ND1 HIS A 835 11.188 200.467 28.897 1.00 28.78 N +ANISOU 1021 ND1 HIS A 835 4119 3440 3373 122 363 360 N +ATOM 1022 CD2 HIS A 835 9.599 201.935 28.665 1.00 27.86 C +ANISOU 1022 CD2 HIS A 835 3926 3416 3244 8 304 211 C +ATOM 1023 CE1 HIS A 835 10.255 199.918 28.149 1.00 29.73 C +ANISOU 1023 CE1 HIS A 835 4294 3460 3542 41 404 308 C +ATOM 1024 NE2 HIS A 835 9.277 200.788 27.996 1.00 28.39 N +ANISOU 1024 NE2 HIS A 835 4069 3361 3357 -29 362 222 N +ATOM 1025 N ARG A 836 13.654 200.761 31.554 1.00 27.54 N +ANISOU 1025 N ARG A 836 3825 3604 3035 321 300 591 N +ATOM 1026 CA ARG A 836 14.489 199.546 31.676 1.00 30.15 C +ANISOU 1026 CA ARG A 836 4193 3877 3384 429 355 747 C +ATOM 1027 C ARG A 836 14.357 198.518 30.570 1.00 31.69 C +ANISOU 1027 C ARG A 836 4497 3847 3696 443 438 752 C +ATOM 1028 O ARG A 836 15.021 197.484 30.622 1.00 31.25 O +ANISOU 1028 O ARG A 836 4485 3710 3679 543 504 878 O +ATOM 1029 CB ARG A 836 14.273 198.832 33.017 1.00 31.78 C +ANISOU 1029 CB ARG A 836 4398 4158 3518 460 390 897 C +ATOM 1030 CG ARG A 836 14.655 199.707 34.189 1.00 33.70 C +ANISOU 1030 CG ARG A 836 4526 4659 3619 460 314 902 C +ATOM 1031 CD ARG A 836 14.499 199.042 35.529 1.00 35.58 C +ANISOU 1031 CD ARG A 836 4749 5012 3755 494 343 1063 C +ATOM 1032 NE ARG A 836 15.331 197.886 35.704 1.00 38.54 N +ANISOU 1032 NE ARG A 836 5145 5348 4147 630 395 1270 N +ATOM 1033 CZ ARG A 836 14.917 196.657 36.056 1.00 38.73 C +ANISOU 1033 CZ ARG A 836 5250 5254 4209 670 493 1434 C +ATOM 1034 NH1 ARG A 836 13.642 196.352 36.287 1.00 37.11 N +ANISOU 1034 NH1 ARG A 836 5112 4965 4022 568 550 1414 N +ATOM 1035 NH2 ARG A 836 15.831 195.718 36.205 1.00 39.80 N +ANISOU 1035 NH2 ARG A 836 5395 5358 4368 820 542 1632 N +ATOM 1036 N ASP A 837 13.537 198.775 29.557 1.00 30.68 N +ANISOU 1036 N ASP A 837 4410 3621 3623 347 441 616 N +ATOM 1037 CA ASP A 837 13.429 197.824 28.432 1.00 30.28 C +ANISOU 1037 CA ASP A 837 4461 3374 3670 338 520 588 C +ATOM 1038 C ASP A 837 13.153 198.552 27.114 1.00 29.60 C +ANISOU 1038 C ASP A 837 4368 3271 3605 269 480 434 C +ATOM 1039 O ASP A 837 12.410 198.069 26.250 1.00 32.26 O +ANISOU 1039 O ASP A 837 4770 3498 3988 187 523 354 O +ATOM 1040 CB ASP A 837 12.375 196.738 28.713 1.00 31.31 C +ANISOU 1040 CB ASP A 837 4680 3373 3842 266 611 620 C +ATOM 1041 CG ASP A 837 12.537 195.484 27.810 1.00 34.32 C +ANISOU 1041 CG ASP A 837 5182 3528 4329 276 724 615 C +ATOM 1042 OD1 ASP A 837 13.495 195.372 27.003 1.00 34.23 O +ANISOU 1042 OD1 ASP A 837 5186 3463 4354 357 740 596 O +ATOM 1043 OD2 ASP A 837 11.687 194.603 27.919 1.00 37.15 O +ANISOU 1043 OD2 ASP A 837 5619 3758 4735 195 808 621 O +ATOM 1044 N LEU A 838 13.755 199.721 26.945 1.00 27.42 N +ANISOU 1044 N LEU A 838 4009 3115 3293 293 400 394 N +ATOM 1045 CA LEU A 838 13.575 200.411 25.701 1.00 27.03 C +ANISOU 1045 CA LEU A 838 3951 3057 3262 243 368 282 C +ATOM 1046 C LEU A 838 14.322 199.660 24.567 1.00 28.32 C +ANISOU 1046 C LEU A 838 4175 3111 3473 290 426 270 C +ATOM 1047 O LEU A 838 15.500 199.267 24.719 1.00 27.52 O +ANISOU 1047 O LEU A 838 4070 3002 3385 400 454 347 O +ATOM 1048 CB LEU A 838 14.023 201.844 25.853 1.00 27.70 C +ANISOU 1048 CB LEU A 838 3940 3272 3309 252 285 252 C +ATOM 1049 CG LEU A 838 13.893 202.710 24.593 1.00 29.39 C +ANISOU 1049 CG LEU A 838 4137 3487 3541 213 252 165 C +ATOM 1050 CD1 LEU A 838 12.427 202.783 24.194 1.00 32.74 C +ANISOU 1050 CD1 LEU A 838 4577 3891 3969 121 250 100 C +ATOM 1051 CD2 LEU A 838 14.490 204.100 24.828 1.00 28.83 C +ANISOU 1051 CD2 LEU A 838 3982 3516 3455 224 191 149 C +ATOM 1052 N ALA A 839 13.623 199.489 23.448 1.00 26.21 N +ANISOU 1052 N ALA A 839 3954 2780 3223 209 446 171 N +ATOM 1053 CA ALA A 839 14.108 198.802 22.274 1.00 26.36 C +ANISOU 1053 CA ALA A 839 4037 2703 3274 225 510 122 C +ATOM 1054 C ALA A 839 13.088 199.038 21.175 1.00 27.21 C +ANISOU 1054 C ALA A 839 4155 2825 3358 103 491 0 C +ATOM 1055 O ALA A 839 11.926 199.440 21.452 1.00 29.08 O +ANISOU 1055 O ALA A 839 4359 3118 3571 13 448 -28 O +ATOM 1056 CB ALA A 839 14.259 197.304 22.536 1.00 28.48 C +ANISOU 1056 CB ALA A 839 4408 2806 3606 262 626 166 C +ATOM 1057 N ALA A 840 13.471 198.793 19.930 1.00 26.86 N +ANISOU 1057 N ALA A 840 4143 2751 3308 97 525 -73 N +ATOM 1058 CA ALA A 840 12.506 199.044 18.814 1.00 27.54 C +ANISOU 1058 CA ALA A 840 4222 2895 3343 -23 498 -186 C +ATOM 1059 C ALA A 840 11.290 198.133 18.901 1.00 28.36 C +ANISOU 1059 C ALA A 840 4383 2931 3459 -150 544 -254 C +ATOM 1060 O ALA A 840 10.194 198.510 18.466 1.00 28.12 O +ANISOU 1060 O ALA A 840 4306 2997 3378 -259 493 -317 O +ATOM 1061 CB ALA A 840 13.197 198.905 17.457 1.00 27.08 C +ANISOU 1061 CB ALA A 840 4189 2842 3258 -10 532 -257 C +ATOM 1062 N ARG A 841 11.462 196.924 19.472 1.00 30.79 N +ANISOU 1062 N ARG A 841 4784 3076 3836 -136 644 -231 N +ATOM 1063 CA ARG A 841 10.321 196.007 19.661 1.00 32.39 C +ANISOU 1063 CA ARG A 841 5047 3193 4065 -272 704 -289 C +ATOM 1064 C ARG A 841 9.284 196.540 20.656 1.00 32.34 C +ANISOU 1064 C ARG A 841 4967 3280 4038 -327 638 -236 C +ATOM 1065 O ARG A 841 8.167 196.025 20.688 1.00 31.76 O +ANISOU 1065 O ARG A 841 4909 3189 3967 -464 666 -294 O +ATOM 1066 CB ARG A 841 10.773 194.581 20.091 1.00 35.58 C +ANISOU 1066 CB ARG A 841 5580 3369 4569 -236 847 -256 C +ATOM 1067 CG ARG A 841 11.407 194.591 21.477 1.00 37.11 C +ANISOU 1067 CG ARG A 841 5759 3538 4800 -96 849 -75 C +ATOM 1068 CD ARG A 841 11.943 193.262 21.985 1.00 39.55 C +ANISOU 1068 CD ARG A 841 6182 3631 5212 -20 992 8 C +ATOM 1069 NE ARG A 841 12.650 193.561 23.236 1.00 43.89 N +ANISOU 1069 NE ARG A 841 6675 4243 5756 129 956 194 N +ATOM 1070 CZ ARG A 841 13.948 193.889 23.333 1.00 44.40 C +ANISOU 1070 CZ ARG A 841 6693 4362 5813 293 934 280 C +ATOM 1071 NH1 ARG A 841 14.420 194.205 24.524 1.00 47.83 N +ANISOU 1071 NH1 ARG A 841 7059 4895 6217 395 888 435 N +ATOM 1072 NH2 ARG A 841 14.790 193.909 22.278 1.00 39.57 N +ANISOU 1072 NH2 ARG A 841 6091 3730 5213 351 957 212 N +ATOM 1073 N ASN A 842 9.683 197.504 21.485 1.00 29.12 N +ANISOU 1073 N ASN A 842 4483 2968 3612 -226 565 -134 N +ATOM 1074 CA ASN A 842 8.834 198.098 22.495 1.00 30.61 C +ANISOU 1074 CA ASN A 842 4599 3250 3778 -255 512 -87 C +ATOM 1075 C ASN A 842 8.407 199.494 22.149 1.00 29.61 C +ANISOU 1075 C ASN A 842 4364 3288 3599 -261 409 -116 C +ATOM 1076 O ASN A 842 8.013 200.247 23.029 1.00 30.22 O +ANISOU 1076 O ASN A 842 4372 3447 3660 -243 364 -73 O +ATOM 1077 CB ASN A 842 9.495 198.051 23.902 1.00 27.72 C +ANISOU 1077 CB ASN A 842 4234 2870 3428 -149 524 44 C +ATOM 1078 CG ASN A 842 9.569 196.655 24.446 1.00 31.54 C +ANISOU 1078 CG ASN A 842 4818 3195 3968 -149 635 107 C +ATOM 1079 OD1 ASN A 842 8.769 195.795 24.061 1.00 30.24 O +ANISOU 1079 OD1 ASN A 842 4717 2932 3838 -266 704 43 O +ATOM 1080 ND2 ASN A 842 10.553 196.392 25.312 1.00 33.38 N +ANISOU 1080 ND2 ASN A 842 5064 3401 4215 -20 660 237 N +ATOM 1081 N VAL A 843 8.477 199.840 20.862 1.00 28.18 N +ANISOU 1081 N VAL A 843 4166 3154 3388 -282 379 -186 N +ATOM 1082 CA VAL A 843 7.866 201.047 20.343 1.00 28.71 C +ANISOU 1082 CA VAL A 843 4132 3368 3409 -297 295 -204 C +ATOM 1083 C VAL A 843 6.770 200.585 19.374 1.00 30.44 C +ANISOU 1083 C VAL A 843 4337 3644 3582 -432 296 -298 C +ATOM 1084 O VAL A 843 6.986 199.665 18.588 1.00 31.31 O +ANISOU 1084 O VAL A 843 4520 3691 3685 -491 349 -373 O +ATOM 1085 CB VAL A 843 8.906 201.914 19.640 1.00 28.95 C +ANISOU 1085 CB VAL A 843 4138 3433 3426 -208 257 -182 C +ATOM 1086 CG1 VAL A 843 8.222 203.168 19.104 1.00 30.25 C +ANISOU 1086 CG1 VAL A 843 4203 3733 3555 -213 182 -176 C +ATOM 1087 CG2 VAL A 843 10.028 202.248 20.604 1.00 27.40 C +ANISOU 1087 CG2 VAL A 843 3947 3194 3267 -99 259 -105 C +ATOM 1088 N LEU A 844 5.567 201.166 19.466 1.00 29.17 N +ANISOU 1088 N LEU A 844 4080 3610 3392 -487 244 -301 N +ATOM 1089 CA LEU A 844 4.466 200.720 18.639 1.00 28.84 C +ANISOU 1089 CA LEU A 844 4000 3661 3294 -627 237 -387 C +ATOM 1090 C LEU A 844 4.096 201.831 17.641 1.00 28.66 C +ANISOU 1090 C LEU A 844 3865 3822 3202 -603 151 -374 C +ATOM 1091 O LEU A 844 4.269 202.996 17.927 1.00 29.45 O +ANISOU 1091 O LEU A 844 3904 3965 3321 -492 105 -291 O +ATOM 1092 CB LEU A 844 3.236 200.391 19.486 1.00 31.36 C +ANISOU 1092 CB LEU A 844 4273 4014 3625 -719 252 -391 C +ATOM 1093 CG LEU A 844 3.401 199.211 20.444 1.00 34.07 C +ANISOU 1093 CG LEU A 844 4724 4186 4033 -762 346 -386 C +ATOM 1094 CD1 LEU A 844 2.104 198.860 21.142 1.00 35.17 C +ANISOU 1094 CD1 LEU A 844 4811 4378 4175 -877 367 -394 C +ATOM 1095 CD2 LEU A 844 3.922 197.986 19.738 1.00 36.12 C +ANISOU 1095 CD2 LEU A 844 5107 4305 4310 -832 427 -469 C +ATOM 1096 N VAL A 845 3.559 201.432 16.507 1.00 29.45 N +ANISOU 1096 N VAL A 845 3937 4030 3221 -713 137 -457 N +ATOM 1097 CA VAL A 845 3.195 202.322 15.417 1.00 30.03 C +ANISOU 1097 CA VAL A 845 3901 4302 3205 -697 59 -434 C +ATOM 1098 C VAL A 845 1.677 202.525 15.287 1.00 28.89 C +ANISOU 1098 C VAL A 845 3616 4358 3002 -784 6 -440 C +ATOM 1099 O VAL A 845 0.966 201.643 14.913 1.00 30.00 O +ANISOU 1099 O VAL A 845 3744 4565 3087 -942 20 -543 O +ATOM 1100 CB VAL A 845 3.746 201.759 14.094 1.00 30.72 C +ANISOU 1100 CB VAL A 845 4042 4422 3209 -758 75 -523 C +ATOM 1101 CG1 VAL A 845 3.513 202.737 12.945 1.00 30.99 C +ANISOU 1101 CG1 VAL A 845 3961 4678 3135 -723 -5 -469 C +ATOM 1102 CG2 VAL A 845 5.232 201.483 14.263 1.00 30.13 C +ANISOU 1102 CG2 VAL A 845 4094 4155 3199 -666 138 -516 C +ATOM 1103 N LYS A 846 1.204 203.715 15.629 1.00 28.39 N +ANISOU 1103 N LYS A 846 3440 4387 2958 -677 -46 -329 N +ATOM 1104 CA LYS A 846 -0.226 204.057 15.508 1.00 30.03 C +ANISOU 1104 CA LYS A 846 3487 4807 3114 -723 -97 -308 C +ATOM 1105 C LYS A 846 -0.489 204.386 14.038 1.00 29.88 C +ANISOU 1105 C LYS A 846 3374 5012 2966 -745 -165 -298 C +ATOM 1106 O LYS A 846 -1.422 203.903 13.432 1.00 32.05 O +ANISOU 1106 O LYS A 846 3557 5479 3140 -879 -197 -362 O +ATOM 1107 CB LYS A 846 -0.563 205.277 16.388 1.00 29.77 C +ANISOU 1107 CB LYS A 846 3373 4776 3161 -573 -112 -188 C +ATOM 1108 CG LYS A 846 -2.056 205.596 16.326 1.00 34.08 C +ANISOU 1108 CG LYS A 846 3740 5544 3662 -603 -155 -158 C +ATOM 1109 CD LYS A 846 -2.407 206.917 17.017 1.00 36.33 C +ANISOU 1109 CD LYS A 846 3938 5837 4029 -431 -159 -39 C +ATOM 1110 CE LYS A 846 -3.762 207.378 16.526 1.00 41.54 C +ANISOU 1110 CE LYS A 846 4396 6759 4628 -424 -212 21 C +ATOM 1111 NZ LYS A 846 -4.241 208.678 17.069 1.00 43.95 N +ANISOU 1111 NZ LYS A 846 4600 7081 5017 -244 -203 140 N +ATOM 1112 N THR A 847 0.370 205.230 13.476 1.00 31.41 N +ANISOU 1112 N THR A 847 3585 5191 3157 -616 -186 -211 N +ATOM 1113 CA THR A 847 0.464 205.467 12.039 1.00 33.28 C +ANISOU 1113 CA THR A 847 3767 5614 3262 -626 -236 -192 C +ATOM 1114 C THR A 847 1.954 205.625 11.774 1.00 32.81 C +ANISOU 1114 C THR A 847 3836 5392 3236 -546 -199 -176 C +ATOM 1115 O THR A 847 2.739 205.815 12.714 1.00 31.24 O +ANISOU 1115 O THR A 847 3727 4978 3162 -462 -153 -150 O +ATOM 1116 CB THR A 847 -0.214 206.781 11.623 1.00 35.28 C +ANISOU 1116 CB THR A 847 3855 6063 3485 -502 -306 -24 C +ATOM 1117 OG1 THR A 847 0.565 207.870 12.121 1.00 35.43 O +ANISOU 1117 OG1 THR A 847 3919 5914 3626 -326 -282 98 O +ATOM 1118 CG2 THR A 847 -1.606 206.867 12.157 1.00 37.11 C +ANISOU 1118 CG2 THR A 847 3946 6431 3722 -528 -333 -6 C +ATOM 1119 N PRO A 848 2.376 205.579 10.498 1.00 33.38 N +ANISOU 1119 N PRO A 848 3906 5587 3188 -570 -217 -188 N +ATOM 1120 CA PRO A 848 3.798 205.780 10.218 1.00 32.63 C +ANISOU 1120 CA PRO A 848 3917 5356 3122 -490 -177 -164 C +ATOM 1121 C PRO A 848 4.342 207.085 10.747 1.00 31.97 C +ANISOU 1121 C PRO A 848 3823 5168 3154 -319 -179 -4 C +ATOM 1122 O PRO A 848 5.536 207.194 10.968 1.00 32.66 O +ANISOU 1122 O PRO A 848 4004 5095 3310 -260 -134 4 O +ATOM 1123 CB PRO A 848 3.856 205.736 8.667 1.00 35.09 C +ANISOU 1123 CB PRO A 848 4183 5893 3256 -540 -209 -177 C +ATOM 1124 CG PRO A 848 2.699 204.894 8.309 1.00 37.10 C +ANISOU 1124 CG PRO A 848 4370 6329 3396 -708 -239 -300 C +ATOM 1125 CD PRO A 848 1.619 205.308 9.283 1.00 36.36 C +ANISOU 1125 CD PRO A 848 4181 6248 3385 -680 -273 -231 C +ATOM 1126 N GLN A 849 3.482 208.066 11.012 1.00 31.81 N +ANISOU 1126 N GLN A 849 3688 5229 3166 -241 -221 115 N +ATOM 1127 CA GLN A 849 3.946 209.355 11.510 1.00 32.77 C +ANISOU 1127 CA GLN A 849 3806 5231 3411 -89 -207 252 C +ATOM 1128 C GLN A 849 3.791 209.470 13.034 1.00 31.14 C +ANISOU 1128 C GLN A 849 3632 4852 3346 -56 -173 226 C +ATOM 1129 O GLN A 849 4.046 210.520 13.572 1.00 32.38 O +ANISOU 1129 O GLN A 849 3784 4907 3610 52 -154 311 O +ATOM 1130 CB GLN A 849 3.127 210.507 10.886 1.00 37.17 C +ANISOU 1130 CB GLN A 849 4221 5961 3938 7 -254 420 C +ATOM 1131 CG GLN A 849 3.225 210.657 9.357 1.00 43.15 C +ANISOU 1131 CG GLN A 849 4922 6932 4540 1 -294 494 C +ATOM 1132 CD GLN A 849 2.354 209.644 8.620 1.00 51.22 C +ANISOU 1132 CD GLN A 849 5873 8202 5384 -143 -347 391 C +ATOM 1133 OE1 GLN A 849 2.874 209.151 7.504 1.00 52.63 O +ANISOU 1133 OE1 GLN A 849 5969 8473 5551 -201 -376 345 O +ATOM 1134 NE2 GLN A 849 1.223 209.294 9.052 1.00 56.66 N +ANISOU 1134 NE2 GLN A 849 6589 9010 5927 -217 -353 340 N +ATOM 1135 N HIS A 850 3.313 208.443 13.714 1.00 30.76 N +ANISOU 1135 N HIS A 850 3610 4779 3296 -155 -160 111 N +ATOM 1136 CA HIS A 850 3.012 208.589 15.167 1.00 29.32 C +ANISOU 1136 CA HIS A 850 3438 4475 3225 -125 -130 98 C +ATOM 1137 C HIS A 850 3.297 207.256 15.856 1.00 28.09 C +ANISOU 1137 C HIS A 850 3385 4211 3075 -229 -88 -23 C +ATOM 1138 O HIS A 850 2.529 206.292 15.703 1.00 30.26 O +ANISOU 1138 O HIS A 850 3644 4563 3290 -350 -90 -101 O +ATOM 1139 CB HIS A 850 1.558 208.995 15.387 1.00 30.66 C +ANISOU 1139 CB HIS A 850 3472 4786 3390 -113 -158 141 C +ATOM 1140 CG HIS A 850 1.227 209.332 16.812 1.00 32.70 C +ANISOU 1140 CG HIS A 850 3729 4940 3755 -66 -119 135 C +ATOM 1141 ND1 HIS A 850 0.014 209.856 17.195 1.00 35.76 N +ANISOU 1141 ND1 HIS A 850 3994 5430 4164 -24 -126 178 N +ATOM 1142 CD2 HIS A 850 1.955 209.226 17.948 1.00 32.86 C +ANISOU 1142 CD2 HIS A 850 3847 4784 3853 -52 -71 90 C +ATOM 1143 CE1 HIS A 850 0.001 210.050 18.504 1.00 34.94 C +ANISOU 1143 CE1 HIS A 850 3920 5208 4146 7 -77 148 C +ATOM 1144 NE2 HIS A 850 1.175 209.685 18.978 1.00 32.76 N +ANISOU 1144 NE2 HIS A 850 3777 4771 3899 -12 -48 96 N +ATOM 1145 N VAL A 851 4.374 207.236 16.637 1.00 27.87 N +ANISOU 1145 N VAL A 851 3455 4011 3123 -183 -47 -31 N +ATOM 1146 CA VAL A 851 4.786 206.055 17.418 1.00 25.86 C +ANISOU 1146 CA VAL A 851 3299 3634 2889 -247 1 -109 C +ATOM 1147 C VAL A 851 4.684 206.315 18.924 1.00 26.36 C +ANISOU 1147 C VAL A 851 3368 3617 3029 -206 25 -92 C +ATOM 1148 O VAL A 851 4.711 207.470 19.365 1.00 25.52 O +ANISOU 1148 O VAL A 851 3216 3506 2972 -119 14 -40 O +ATOM 1149 CB VAL A 851 6.191 205.589 17.042 1.00 26.72 C +ANISOU 1149 CB VAL A 851 3510 3641 3000 -228 33 -129 C +ATOM 1150 CG1 VAL A 851 6.201 205.256 15.538 1.00 28.86 C +ANISOU 1150 CG1 VAL A 851 3776 4011 3176 -282 19 -165 C +ATOM 1151 CG2 VAL A 851 7.309 206.567 17.404 1.00 27.91 C +ANISOU 1151 CG2 VAL A 851 3674 3718 3213 -118 34 -62 C +ATOM 1152 N LYS A 852 4.596 205.245 19.697 1.00 26.44 N +ANISOU 1152 N LYS A 852 3437 3561 3046 -271 66 -138 N +ATOM 1153 CA LYS A 852 4.483 205.351 21.148 1.00 26.17 C +ANISOU 1153 CA LYS A 852 3407 3478 3057 -244 93 -122 C +ATOM 1154 C LYS A 852 5.267 204.226 21.847 1.00 27.49 C +ANISOU 1154 C LYS A 852 3680 3525 3237 -265 146 -133 C +ATOM 1155 O LYS A 852 5.291 203.100 21.398 1.00 28.72 O +ANISOU 1155 O LYS A 852 3898 3633 3379 -337 180 -170 O +ATOM 1156 CB LYS A 852 3.019 205.258 21.614 1.00 27.20 C +ANISOU 1156 CB LYS A 852 3457 3700 3175 -306 95 -136 C +ATOM 1157 CG LYS A 852 2.050 206.285 21.035 1.00 27.81 C +ANISOU 1157 CG LYS A 852 3408 3916 3242 -272 50 -108 C +ATOM 1158 CD LYS A 852 0.655 206.131 21.685 1.00 30.70 C +ANISOU 1158 CD LYS A 852 3683 4380 3600 -326 63 -119 C +ATOM 1159 CE LYS A 852 -0.330 207.003 20.939 1.00 34.69 C +ANISOU 1159 CE LYS A 852 4046 5044 4087 -286 18 -79 C +ATOM 1160 NZ LYS A 852 -1.634 207.229 21.631 1.00 36.58 N +ANISOU 1160 NZ LYS A 852 4168 5394 4334 -292 33 -72 N +ATOM 1161 N ILE A 853 5.805 204.542 23.012 1.00 27.15 N +ANISOU 1161 N ILE A 853 3650 3442 3220 -204 159 -98 N +ATOM 1162 CA ILE A 853 6.553 203.585 23.807 1.00 27.24 C +ANISOU 1162 CA ILE A 853 3743 3366 3238 -197 205 -74 C +ATOM 1163 C ILE A 853 5.571 202.739 24.640 1.00 28.44 C +ANISOU 1163 C ILE A 853 3903 3519 3383 -275 250 -71 C +ATOM 1164 O ILE A 853 4.620 203.268 25.196 1.00 26.19 O +ANISOU 1164 O ILE A 853 3546 3316 3088 -294 240 -77 O +ATOM 1165 CB ILE A 853 7.493 204.331 24.734 1.00 27.80 C +ANISOU 1165 CB ILE A 853 3804 3441 3317 -110 192 -36 C +ATOM 1166 CG1 ILE A 853 8.541 205.075 23.892 1.00 30.41 C +ANISOU 1166 CG1 ILE A 853 4130 3761 3663 -51 160 -36 C +ATOM 1167 CG2 ILE A 853 8.172 203.391 25.735 1.00 29.39 C +ANISOU 1167 CG2 ILE A 853 4063 3594 3507 -90 234 16 C +ATOM 1168 CD1 ILE A 853 9.141 206.196 24.663 1.00 31.91 C +ANISOU 1168 CD1 ILE A 853 4278 3981 3864 3 138 -29 C +ATOM 1169 N THR A 854 5.847 201.435 24.732 1.00 28.50 N +ANISOU 1169 N THR A 854 3998 3425 3403 -314 310 -56 N +ATOM 1170 CA THR A 854 5.030 200.530 25.522 1.00 30.81 C +ANISOU 1170 CA THR A 854 4313 3695 3698 -394 369 -37 C +ATOM 1171 C THR A 854 5.920 199.570 26.327 1.00 30.53 C +ANISOU 1171 C THR A 854 4370 3547 3683 -346 434 48 C +ATOM 1172 O THR A 854 7.157 199.757 26.409 1.00 29.86 O +ANISOU 1172 O THR A 854 4307 3435 3600 -239 421 92 O +ATOM 1173 CB THR A 854 4.062 199.762 24.588 1.00 32.65 C +ANISOU 1173 CB THR A 854 4556 3912 3935 -534 396 -114 C +ATOM 1174 OG1 THR A 854 2.994 199.191 25.349 1.00 35.28 O +ANISOU 1174 OG1 THR A 854 4873 4263 4269 -633 444 -103 O +ATOM 1175 CG2 THR A 854 4.800 198.693 23.789 1.00 32.27 C +ANISOU 1175 CG2 THR A 854 4621 3718 3920 -555 453 -144 C +ATOM 1176 N ASP A 855 5.260 198.546 26.881 1.00 31.34 N +ANISOU 1176 N ASP A 855 4515 3590 3800 -426 509 79 N +ATOM 1177 CA AASP A 855 5.877 197.452 27.668 0.50 31.90 C +ANISOU 1177 CA AASP A 855 4678 3541 3900 -388 592 188 C +ATOM 1178 CA BASP A 855 5.908 197.469 27.610 0.50 31.46 C +ANISOU 1178 CA BASP A 855 4622 3483 3845 -386 590 184 C +ATOM 1179 C ASP A 855 6.680 197.916 28.845 1.00 31.49 C +ANISOU 1179 C ASP A 855 4596 3566 3801 -266 566 294 C +ATOM 1180 O ASP A 855 7.938 197.992 28.840 1.00 31.13 O +ANISOU 1180 O ASP A 855 4567 3502 3756 -151 550 346 O +ATOM 1181 CB AASP A 855 6.701 196.453 26.871 0.50 33.87 C +ANISOU 1181 CB AASP A 855 5039 3613 4216 -364 658 187 C +ATOM 1182 CB BASP A 855 6.750 196.625 26.655 0.50 32.53 C +ANISOU 1182 CB BASP A 855 4860 3456 4043 -361 643 166 C +ATOM 1183 CG AASP A 855 6.920 195.127 27.650 0.50 34.99 C +ANISOU 1183 CG AASP A 855 5281 3600 4411 -350 776 307 C +ATOM 1184 CG BASP A 855 5.969 195.435 26.131 0.50 33.41 C +ANISOU 1184 CG BASP A 855 5053 3430 4211 -504 737 106 C +ATOM 1185 OD1AASP A 855 6.596 195.033 28.883 0.50 32.38 O +ANISOU 1185 OD1AASP A 855 4929 3323 4049 -343 795 415 O +ATOM 1186 OD1BASP A 855 5.531 194.624 26.976 0.50 34.27 O +ANISOU 1186 OD1BASP A 855 5206 3466 4349 -551 818 183 O +ATOM 1187 OD2AASP A 855 7.401 194.168 27.002 0.50 38.26 O +ANISOU 1187 OD2AASP A 855 5800 3835 4901 -345 860 296 O +ATOM 1188 OD2BASP A 855 5.769 195.329 24.912 0.50 31.49 O +ANISOU 1188 OD2BASP A 855 4824 3161 3977 -580 734 -17 O +ATOM 1189 N PHE A 856 5.912 198.171 29.884 1.00 30.52 N +ANISOU 1189 N PHE A 856 4418 3547 3628 -301 568 326 N +ATOM 1190 CA PHE A 856 6.391 198.695 31.104 1.00 31.73 C +ANISOU 1190 CA PHE A 856 4524 3822 3708 -220 541 401 C +ATOM 1191 C PHE A 856 6.597 197.627 32.126 1.00 33.15 C +ANISOU 1191 C PHE A 856 4759 3963 3872 -197 619 553 C +ATOM 1192 O PHE A 856 6.663 197.937 33.289 1.00 30.32 O +ANISOU 1192 O PHE A 856 4351 3740 3428 -162 608 620 O +ATOM 1193 CB PHE A 856 5.371 199.707 31.615 1.00 32.03 C +ANISOU 1193 CB PHE A 856 4463 4012 3692 -269 504 331 C +ATOM 1194 CG PHE A 856 5.331 200.928 30.775 1.00 32.42 C +ANISOU 1194 CG PHE A 856 4452 4109 3757 -254 429 215 C +ATOM 1195 CD1 PHE A 856 6.353 201.876 30.867 1.00 32.35 C +ANISOU 1195 CD1 PHE A 856 4414 4151 3726 -164 371 198 C +ATOM 1196 CD2 PHE A 856 4.319 201.104 29.849 1.00 32.87 C +ANISOU 1196 CD2 PHE A 856 4477 4161 3851 -331 420 132 C +ATOM 1197 CE1 PHE A 856 6.330 202.990 30.051 1.00 34.81 C +ANISOU 1197 CE1 PHE A 856 4679 4480 4066 -150 316 108 C +ATOM 1198 CE2 PHE A 856 4.285 202.220 29.052 1.00 33.32 C +ANISOU 1198 CE2 PHE A 856 4475 4260 3922 -302 357 55 C +ATOM 1199 CZ PHE A 856 5.300 203.151 29.141 1.00 33.92 C +ANISOU 1199 CZ PHE A 856 4538 4357 3991 -209 311 48 C +ATOM 1200 N GLY A 857 6.732 196.381 31.691 1.00 33.53 N +ANISOU 1200 N GLY A 857 4910 3828 4002 -213 704 609 N +ATOM 1201 CA GLY A 857 6.954 195.264 32.606 1.00 36.22 C +ANISOU 1201 CA GLY A 857 5315 4097 4348 -177 798 784 C +ATOM 1202 C GLY A 857 8.173 195.332 33.505 1.00 36.32 C +ANISOU 1202 C GLY A 857 5304 4203 4293 -21 774 934 C +ATOM 1203 O GLY A 857 8.173 194.718 34.585 1.00 37.15 O +ANISOU 1203 O GLY A 857 5422 4339 4354 10 830 1097 O +ATOM 1204 N LEU A 858 9.208 196.041 33.068 1.00 33.70 N +ANISOU 1204 N LEU A 858 4931 3927 3945 70 695 889 N +ATOM 1205 CA LEU A 858 10.421 196.178 33.845 1.00 34.50 C +ANISOU 1205 CA LEU A 858 4984 4151 3970 209 659 1016 C +ATOM 1206 C LEU A 858 10.533 197.578 34.492 1.00 33.62 C +ANISOU 1206 C LEU A 858 4751 4288 3734 204 550 938 C +ATOM 1207 O LEU A 858 11.506 197.834 35.194 1.00 33.35 O +ANISOU 1207 O LEU A 858 4654 4404 3612 294 506 1018 O +ATOM 1208 CB LEU A 858 11.640 195.897 32.961 1.00 34.89 C +ANISOU 1208 CB LEU A 858 5066 4097 4092 318 662 1031 C +ATOM 1209 CG LEU A 858 11.797 194.437 32.424 1.00 37.68 C +ANISOU 1209 CG LEU A 858 5548 4191 4574 356 791 1120 C +ATOM 1210 CD1 LEU A 858 13.132 194.274 31.753 1.00 37.21 C +ANISOU 1210 CD1 LEU A 858 5494 4077 4564 494 792 1148 C +ATOM 1211 CD2 LEU A 858 11.659 193.413 33.521 1.00 42.08 C +ANISOU 1211 CD2 LEU A 858 6148 4713 5125 400 883 1329 C +ATOM 1212 N ALA A 859 9.560 198.465 34.272 1.00 30.91 N +ANISOU 1212 N ALA A 859 4369 3991 3382 101 514 782 N +ATOM 1213 CA ALA A 859 9.758 199.874 34.637 1.00 29.02 C +ANISOU 1213 CA ALA A 859 4031 3933 3060 99 426 675 C +ATOM 1214 C ALA A 859 9.683 200.095 36.149 1.00 31.18 C +ANISOU 1214 C ALA A 859 4242 4413 3192 103 420 736 C +ATOM 1215 O ALA A 859 8.982 199.366 36.841 1.00 31.51 O +ANISOU 1215 O ALA A 859 4307 4462 3201 72 483 830 O +ATOM 1216 CB ALA A 859 8.750 200.746 33.963 1.00 29.75 C +ANISOU 1216 CB ALA A 859 4101 4003 3198 12 403 510 C +ATOM 1217 N LYS A 860 10.428 201.087 36.649 1.00 30.76 N +ANISOU 1217 N LYS A 860 4107 4532 3048 130 348 679 N +ATOM 1218 CA LYS A 860 10.532 201.333 38.087 1.00 32.77 C +ANISOU 1218 CA LYS A 860 4291 5019 3139 131 335 722 C +ATOM 1219 C LYS A 860 10.386 202.813 38.321 1.00 33.57 C +ANISOU 1219 C LYS A 860 4320 5245 3190 73 284 526 C +ATOM 1220 O LYS A 860 10.950 203.641 37.569 1.00 31.26 O +ANISOU 1220 O LYS A 860 4010 4907 2959 76 235 414 O +ATOM 1221 CB LYS A 860 11.870 200.888 38.631 1.00 34.23 C +ANISOU 1221 CB LYS A 860 4439 5328 3239 230 305 871 C +ATOM 1222 CG LYS A 860 12.148 199.385 38.541 1.00 36.79 C +ANISOU 1222 CG LYS A 860 4836 5526 3616 318 374 1094 C +ATOM 1223 CD LYS A 860 11.202 198.557 39.383 1.00 39.29 C +ANISOU 1223 CD LYS A 860 5190 5851 3887 287 455 1221 C +ATOM 1224 CE LYS A 860 11.387 197.085 39.041 1.00 41.85 C +ANISOU 1224 CE LYS A 860 5614 5968 4319 362 546 1419 C +ATOM 1225 NZ LYS A 860 10.468 196.320 39.880 1.00 45.21 N +ANISOU 1225 NZ LYS A 860 6075 6397 4704 319 634 1550 N +ATOM 1226 N LEU A 861 9.674 203.131 39.392 1.00 34.81 N +ANISOU 1226 N LEU A 861 4435 5555 3234 23 306 490 N +ATOM 1227 CA LEU A 861 9.476 204.516 39.850 1.00 34.92 C +ANISOU 1227 CA LEU A 861 4383 5696 3188 -32 281 296 C +ATOM 1228 C LEU A 861 10.561 204.925 40.807 1.00 35.14 C +ANISOU 1228 C LEU A 861 4335 5959 3055 -24 229 288 C +ATOM 1229 O LEU A 861 10.794 204.267 41.827 1.00 37.52 O +ANISOU 1229 O LEU A 861 4606 6439 3208 -2 234 423 O +ATOM 1230 CB LEU A 861 8.101 204.653 40.514 1.00 36.59 C +ANISOU 1230 CB LEU A 861 4582 5964 3355 -92 345 243 C +ATOM 1231 CG LEU A 861 7.773 206.047 41.073 1.00 39.78 C +ANISOU 1231 CG LEU A 861 4925 6485 3702 -142 347 33 C +ATOM 1232 CD1 LEU A 861 7.635 207.095 39.972 1.00 37.16 C +ANISOU 1232 CD1 LEU A 861 4604 5984 3530 -146 333 -122 C +ATOM 1233 CD2 LEU A 861 6.512 205.996 41.938 1.00 42.13 C +ANISOU 1233 CD2 LEU A 861 5198 6883 3924 -186 422 11 C +ATOM 1234 N LEU A 862 11.256 206.001 40.495 1.00 33.34 N +ANISOU 1234 N LEU A 862 4070 5747 2849 -46 178 138 N +ATOM 1235 CA LEU A 862 12.287 206.515 41.379 1.00 34.25 C +ANISOU 1235 CA LEU A 862 4099 6107 2807 -68 125 93 C +ATOM 1236 C LEU A 862 11.694 207.455 42.433 1.00 34.85 C +ANISOU 1236 C LEU A 862 4128 6352 2760 -157 151 -85 C +ATOM 1237 O LEU A 862 10.771 208.218 42.149 1.00 34.35 O +ANISOU 1237 O LEU A 862 4093 6169 2789 -198 199 -238 O +ATOM 1238 CB LEU A 862 13.359 207.230 40.576 1.00 34.74 C +ANISOU 1238 CB LEU A 862 4138 6110 2950 -73 68 7 C +ATOM 1239 CG LEU A 862 14.258 206.385 39.673 1.00 36.71 C +ANISOU 1239 CG LEU A 862 4409 6255 3284 17 38 170 C +ATOM 1240 CD1 LEU A 862 15.284 207.279 38.980 1.00 36.21 C +ANISOU 1240 CD1 LEU A 862 4306 6167 3283 -7 -10 60 C +ATOM 1241 CD2 LEU A 862 14.945 205.258 40.405 1.00 39.86 C +ANISOU 1241 CD2 LEU A 862 4766 6822 3553 98 20 388 C +ATOM 1242 N GLY A 863 12.176 207.339 43.651 1.00 35.88 N +ANISOU 1242 N GLY A 863 4184 6770 2678 -178 127 -54 N +ATOM 1243 CA GLY A 863 11.870 208.305 44.694 1.00 41.18 C +ANISOU 1243 CA GLY A 863 4801 7641 3205 -274 148 -254 C +ATOM 1244 C GLY A 863 12.281 209.706 44.265 1.00 41.71 C +ANISOU 1244 C GLY A 863 4855 7633 3356 -350 135 -507 C +ATOM 1245 O GLY A 863 13.094 209.897 43.349 1.00 40.35 O +ANISOU 1245 O GLY A 863 4690 7336 3303 -333 89 -502 O +ATOM 1246 N ALA A 864 11.677 210.688 44.916 1.00 44.49 N +ANISOU 1246 N ALA A 864 5194 8050 3657 -434 190 -728 N +ATOM 1247 CA ALA A 864 11.831 212.074 44.526 1.00 46.84 C +ANISOU 1247 CA ALA A 864 5502 8226 4068 -508 213 -980 C +ATOM 1248 C ALA A 864 13.306 212.464 44.558 1.00 50.66 C +ANISOU 1248 C ALA A 864 5920 8838 4489 -571 133 -1034 C +ATOM 1249 O ALA A 864 13.756 213.160 43.681 1.00 51.55 O +ANISOU 1249 O ALA A 864 6055 8768 4761 -593 127 -1120 O +ATOM 1250 CB ALA A 864 11.023 212.981 45.439 1.00 49.92 C +ANISOU 1250 CB ALA A 864 5883 8701 4384 -586 300 -1213 C +ATOM 1251 N GLU A 865 14.071 212.003 45.525 1.00 53.10 N +ANISOU 1251 N GLU A 865 6138 9468 4566 -599 71 -969 N +ATOM 1252 CA GLU A 865 15.497 212.312 45.464 1.00 63.62 C +ANISOU 1252 CA GLU A 865 7389 10938 5844 -656 -11 -1003 C +ATOM 1253 C GLU A 865 16.319 211.024 45.400 1.00 66.50 C +ANISOU 1253 C GLU A 865 7700 11438 6129 -546 -95 -706 C +ATOM 1254 O GLU A 865 17.134 210.736 46.279 1.00 72.71 O +ANISOU 1254 O GLU A 865 8372 12559 6693 -569 -161 -647 O +ATOM 1255 CB GLU A 865 15.895 213.286 46.604 1.00 64.26 C +ANISOU 1255 CB GLU A 865 7385 11300 5728 -821 -12 -1261 C +ATOM 1256 CG GLU A 865 15.895 214.742 46.089 1.00 65.43 C +ANISOU 1256 CG GLU A 865 7580 11228 6052 -935 48 -1554 C +ATOM 1257 CD GLU A 865 15.604 215.808 47.138 1.00 63.94 C +ANISOU 1257 CD GLU A 865 7371 11183 5739 -1090 116 -1867 C +ATOM 1258 OE1 GLU A 865 15.625 217.012 46.799 1.00 62.62 O +ANISOU 1258 OE1 GLU A 865 7247 10826 5719 -1188 183 -2113 O +ATOM 1259 OE2 GLU A 865 15.339 215.453 48.287 1.00 63.46 O +ANISOU 1259 OE2 GLU A 865 7256 11415 5439 -1114 115 -1870 O +ATOM 1260 N GLU A 866 16.057 210.246 44.351 1.00 57.92 N +ANISOU 1260 N GLU A 866 6693 10090 5224 -423 -83 -520 N +ATOM 1261 CA GLU A 866 16.739 208.974 44.113 1.00 55.07 C +ANISOU 1261 CA GLU A 866 6308 9776 4841 -295 -134 -234 C +ATOM 1262 C GLU A 866 17.229 209.049 42.703 1.00 50.22 C +ANISOU 1262 C GLU A 866 5738 8898 4444 -250 -146 -214 C +ATOM 1263 O GLU A 866 16.476 209.404 41.790 1.00 48.48 O +ANISOU 1263 O GLU A 866 5616 8388 4414 -250 -93 -290 O +ATOM 1264 CB GLU A 866 15.794 207.790 44.247 1.00 57.26 C +ANISOU 1264 CB GLU A 866 6657 9975 5124 -192 -83 -25 C +ATOM 1265 CG GLU A 866 15.997 206.891 45.433 1.00 63.09 C +ANISOU 1265 CG GLU A 866 7325 11013 5633 -144 -102 169 C +ATOM 1266 CD GLU A 866 14.887 205.846 45.546 1.00 68.66 C +ANISOU 1266 CD GLU A 866 8118 11597 6371 -71 -26 348 C +ATOM 1267 OE1 GLU A 866 14.219 205.537 44.535 1.00 63.36 O +ANISOU 1267 OE1 GLU A 866 7554 10608 5910 -33 23 372 O +ATOM 1268 OE2 GLU A 866 14.657 205.331 46.661 1.00 75.53 O +ANISOU 1268 OE2 GLU A 866 8946 12703 7047 -62 -13 465 O +ATOM 1269 N LYS A 867 18.505 208.746 42.526 1.00 46.98 N +ANISOU 1269 N LYS A 867 5244 8610 3996 -211 -214 -111 N +ATOM 1270 CA LYS A 867 19.125 208.707 41.220 1.00 46.96 C +ANISOU 1270 CA LYS A 867 5267 8397 4176 -158 -224 -69 C +ATOM 1271 C LYS A 867 18.969 207.332 40.568 1.00 45.47 C +ANISOU 1271 C LYS A 867 5150 8044 4081 2 -199 181 C +ATOM 1272 O LYS A 867 18.868 207.221 39.339 1.00 45.09 O +ANISOU 1272 O LYS A 867 5181 7731 4218 46 -171 194 O +ATOM 1273 CB LYS A 867 20.636 209.018 41.352 1.00 49.54 C +ANISOU 1273 CB LYS A 867 5452 8957 4414 -193 -303 -78 C +ATOM 1274 N GLU A 868 18.988 206.281 41.382 1.00 41.97 N +ANISOU 1274 N GLU A 868 4678 7761 3506 89 -202 382 N +ATOM 1275 CA GLU A 868 19.217 204.932 40.859 1.00 42.59 C +ANISOU 1275 CA GLU A 868 4802 7715 3662 250 -176 636 C +ATOM 1276 C GLU A 868 18.180 203.926 41.320 1.00 41.79 C +ANISOU 1276 C GLU A 868 4787 7545 3547 307 -108 786 C +ATOM 1277 O GLU A 868 17.719 204.001 42.460 1.00 38.30 O +ANISOU 1277 O GLU A 868 4309 7302 2942 260 -108 784 O +ATOM 1278 CB GLU A 868 20.569 204.428 41.381 1.00 45.21 C +ANISOU 1278 CB GLU A 868 4995 8323 3860 340 -238 809 C +ATOM 1279 CG GLU A 868 21.724 205.271 40.911 1.00 48.48 C +ANISOU 1279 CG GLU A 868 5305 8827 4287 286 -303 691 C +ATOM 1280 CD GLU A 868 23.055 204.850 41.502 1.00 51.51 C +ANISOU 1280 CD GLU A 868 5518 9535 4515 367 -373 856 C +ATOM 1281 OE1 GLU A 868 23.098 204.054 42.460 1.00 52.88 O +ANISOU 1281 OE1 GLU A 868 5639 9915 4536 454 -382 1051 O +ATOM 1282 OE2 GLU A 868 24.056 205.365 40.990 1.00 55.39 O +ANISOU 1282 OE2 GLU A 868 5921 10086 5038 340 -418 791 O +ATOM 1283 N TYR A 869 17.874 202.960 40.460 1.00 37.66 N +ANISOU 1283 N TYR A 869 4371 6754 3183 401 -46 916 N +ATOM 1284 CA TYR A 869 17.207 201.732 40.867 1.00 39.81 C +ANISOU 1284 CA TYR A 869 4715 6959 3451 475 25 1118 C +ATOM 1285 C TYR A 869 18.267 200.610 40.873 1.00 40.64 C +ANISOU 1285 C TYR A 869 4788 7102 3552 644 31 1381 C +ATOM 1286 O TYR A 869 18.978 200.432 39.889 1.00 39.38 O +ANISOU 1286 O TYR A 869 4639 6803 3517 713 32 1396 O +ATOM 1287 CB TYR A 869 16.025 201.371 39.948 1.00 38.98 C +ANISOU 1287 CB TYR A 869 4757 6522 3531 447 106 1072 C +ATOM 1288 CG TYR A 869 15.459 199.988 40.235 1.00 41.77 C +ANISOU 1288 CG TYR A 869 5192 6767 3908 517 195 1289 C +ATOM 1289 CD1 TYR A 869 14.662 199.750 41.362 1.00 45.48 C +ANISOU 1289 CD1 TYR A 869 5657 7369 4254 478 228 1356 C +ATOM 1290 CD2 TYR A 869 15.768 198.901 39.427 1.00 43.64 C +ANISOU 1290 CD2 TYR A 869 5512 6775 4291 621 258 1432 C +ATOM 1291 CE1 TYR A 869 14.195 198.461 41.672 1.00 48.45 C +ANISOU 1291 CE1 TYR A 869 6108 7644 4656 537 321 1576 C +ATOM 1292 CE2 TYR A 869 15.279 197.615 39.712 1.00 45.37 C +ANISOU 1292 CE2 TYR A 869 5816 6869 4550 678 357 1633 C +ATOM 1293 CZ TYR A 869 14.507 197.400 40.831 1.00 48.13 C +ANISOU 1293 CZ TYR A 869 6159 7347 4781 635 387 1713 C +ATOM 1294 OH TYR A 869 14.044 196.130 41.091 1.00 50.01 O +ANISOU 1294 OH TYR A 869 6485 7445 5070 683 497 1922 O +ATOM 1295 N HIS A 870 18.390 199.880 41.975 1.00 42.35 N +ANISOU 1295 N HIS A 870 4956 7512 3621 718 41 1593 N +ATOM 1296 CA HIS A 870 19.326 198.745 42.043 1.00 46.60 C +ANISOU 1296 CA HIS A 870 5463 8076 4164 905 64 1879 C +ATOM 1297 C HIS A 870 18.579 197.418 41.934 1.00 46.06 C +ANISOU 1297 C HIS A 870 5539 7746 4215 987 190 2076 C +ATOM 1298 O HIS A 870 17.823 197.083 42.812 1.00 45.01 O +ANISOU 1298 O HIS A 870 5428 7684 3990 957 229 2166 O +ATOM 1299 CB HIS A 870 20.139 198.731 43.340 1.00 52.15 C +ANISOU 1299 CB HIS A 870 5997 9196 4618 962 -7 2036 C +ATOM 1300 CG HIS A 870 21.233 197.707 43.311 1.00 60.33 C +ANISOU 1300 CG HIS A 870 6976 10275 5670 1174 7 2328 C +ATOM 1301 ND1 HIS A 870 21.139 196.491 43.959 1.00 66.03 N +ANISOU 1301 ND1 HIS A 870 7724 11003 6359 1321 82 2642 N +ATOM 1302 CD2 HIS A 870 22.403 197.677 42.625 1.00 61.25 C +ANISOU 1302 CD2 HIS A 870 7020 10394 5856 1277 -23 2362 C +ATOM 1303 CE1 HIS A 870 22.227 195.781 43.727 1.00 65.97 C +ANISOU 1303 CE1 HIS A 870 7656 11012 6397 1517 94 2861 C +ATOM 1304 NE2 HIS A 870 23.008 196.476 42.918 1.00 69.31 N +ANISOU 1304 NE2 HIS A 870 8014 11441 6879 1493 29 2691 N +ATOM 1305 N ALA A 871 18.792 196.658 40.867 1.00 43.75 N +ANISOU 1305 N ALA A 871 5345 7151 4126 1080 264 2139 N +ATOM 1306 CA ALA A 871 17.933 195.498 40.627 1.00 46.30 C +ANISOU 1306 CA ALA A 871 5827 7174 4590 1110 399 2263 C +ATOM 1307 C ALA A 871 18.451 194.285 41.438 1.00 50.54 C +ANISOU 1307 C ALA A 871 6347 7774 5079 1292 465 2613 C +ATOM 1308 O ALA A 871 19.595 194.305 41.902 1.00 50.73 O +ANISOU 1308 O ALA A 871 6235 8049 4991 1419 402 2754 O +ATOM 1309 CB ALA A 871 17.888 195.197 39.133 1.00 44.40 C +ANISOU 1309 CB ALA A 871 5707 6581 4582 1116 462 2156 C +ATOM 1310 N GLU A 872 17.607 193.276 41.658 1.00 54.04 N +ANISOU 1310 N GLU A 872 6917 8016 5600 1300 590 2759 N +ATOM 1311 CA GLU A 872 18.084 191.979 42.140 1.00 60.21 C +ANISOU 1311 CA GLU A 872 7722 8747 6408 1494 690 3107 C +ATOM 1312 C GLU A 872 18.434 191.138 40.895 1.00 64.19 C +ANISOU 1312 C GLU A 872 8353 8864 7171 1597 802 3126 C +ATOM 1313 O GLU A 872 18.849 191.672 39.876 1.00 62.93 O +ANISOU 1313 O GLU A 872 8187 8627 7094 1574 757 2926 O +ATOM 1314 CB GLU A 872 17.051 191.303 43.062 1.00 63.76 C +ANISOU 1314 CB GLU A 872 8242 9173 6809 1448 783 3273 C +ATOM 1315 N GLY A 873 18.296 189.820 40.972 1.00 72.19 N +ANISOU 1315 N GLY A 873 9483 9630 8313 1710 959 3366 N +ATOM 1316 CA GLY A 873 18.345 188.991 39.770 1.00 71.26 C +ANISOU 1316 CA GLY A 873 9523 9095 8458 1762 1095 3332 C +ATOM 1317 C GLY A 873 17.103 189.191 38.911 1.00 71.08 C +ANISOU 1317 C GLY A 873 9637 8813 8554 1533 1133 3046 C +ATOM 1318 O GLY A 873 16.163 189.903 39.284 1.00 75.33 O +ANISOU 1318 O GLY A 873 10153 9480 8988 1352 1066 2903 O +ATOM 1319 N GLY A 874 17.089 188.557 37.751 1.00 70.56 N +ANISOU 1319 N GLY A 874 9709 8396 8703 1542 1245 2960 N +ATOM 1320 CA GLY A 874 16.011 188.766 36.794 1.00 67.29 C +ANISOU 1320 CA GLY A 874 9406 7766 8393 1327 1269 2677 C +ATOM 1321 C GLY A 874 16.610 188.993 35.429 1.00 66.97 C +ANISOU 1321 C GLY A 874 9389 7593 8463 1349 1259 2485 C +ATOM 1322 O GLY A 874 17.624 189.708 35.302 1.00 66.11 O +ANISOU 1322 O GLY A 874 9154 7687 8275 1442 1150 2462 O +ATOM 1323 N LYS A 875 15.986 188.346 34.436 1.00 67.77 N +ANISOU 1323 N LYS A 875 9649 7362 8739 1254 1380 2350 N +ATOM 1324 CA LYS A 875 16.335 188.453 33.023 1.00 63.14 C +ANISOU 1324 CA LYS A 875 9109 6619 8259 1240 1394 2140 C +ATOM 1325 C LYS A 875 16.144 189.877 32.579 1.00 59.88 C +ANISOU 1325 C LYS A 875 8591 6427 7731 1110 1222 1903 C +ATOM 1326 O LYS A 875 15.123 190.506 32.864 1.00 54.03 O +ANISOU 1326 O LYS A 875 7827 5786 6913 941 1153 1795 O +ATOM 1327 CB LYS A 875 15.446 187.536 32.173 1.00 64.95 C +ANISOU 1327 CB LYS A 875 9525 6489 8664 1108 1550 2015 C +ATOM 1328 N VAL A 876 17.131 190.389 31.862 1.00 57.46 N +ANISOU 1328 N VAL A 876 8220 6189 7422 1194 1164 1827 N +ATOM 1329 CA VAL A 876 17.043 191.719 31.307 1.00 55.81 C +ANISOU 1329 CA VAL A 876 7922 6152 7128 1081 1020 1610 C +ATOM 1330 C VAL A 876 17.742 191.644 29.955 1.00 51.65 C +ANISOU 1330 C VAL A 876 7430 5499 6695 1130 1056 1490 C +ATOM 1331 O VAL A 876 18.764 190.984 29.849 1.00 52.11 O +ANISOU 1331 O VAL A 876 7491 5489 6816 1308 1131 1616 O +ATOM 1332 CB VAL A 876 17.673 192.750 32.273 1.00 55.47 C +ANISOU 1332 CB VAL A 876 7705 6453 6916 1131 873 1681 C +ATOM 1333 CG1 VAL A 876 16.716 193.071 33.424 1.00 55.53 C +ANISOU 1333 CG1 VAL A 876 7683 6603 6811 1026 828 1715 C +ATOM 1334 CG2 VAL A 876 18.984 192.215 32.821 1.00 59.05 C +ANISOU 1334 CG2 VAL A 876 8087 6993 7354 1354 898 1914 C +ATOM 1335 N PRO A 877 17.165 192.258 28.904 1.00 48.31 N +ANISOU 1335 N PRO A 877 7031 5040 6281 979 1015 1256 N +ATOM 1336 CA PRO A 877 17.777 192.127 27.569 1.00 45.38 C +ANISOU 1336 CA PRO A 877 6699 4554 5987 1015 1061 1137 C +ATOM 1337 C PRO A 877 19.172 192.779 27.476 1.00 41.29 C +ANISOU 1337 C PRO A 877 6050 4221 5417 1157 988 1186 C +ATOM 1338 O PRO A 877 19.288 193.969 27.316 1.00 37.79 O +ANISOU 1338 O PRO A 877 5505 3965 4885 1092 863 1091 O +ATOM 1339 CB PRO A 877 16.773 192.818 26.643 1.00 47.61 C +ANISOU 1339 CB PRO A 877 7006 4834 6249 814 1005 902 C +ATOM 1340 CG PRO A 877 15.483 192.633 27.320 1.00 50.44 C +ANISOU 1340 CG PRO A 877 7406 5165 6595 681 1011 906 C +ATOM 1341 CD PRO A 877 15.785 192.751 28.814 1.00 51.47 C +ANISOU 1341 CD PRO A 877 7455 5451 6648 773 969 1106 C +ATOM 1342 N ILE A 878 20.206 191.960 27.569 1.00 41.44 N +ANISOU 1342 N ILE A 878 6070 4174 5498 1351 1079 1337 N +ATOM 1343 CA ILE A 878 21.588 192.416 27.731 1.00 44.03 C +ANISOU 1343 CA ILE A 878 6250 4707 5773 1506 1018 1434 C +ATOM 1344 C ILE A 878 22.109 193.357 26.630 1.00 40.37 C +ANISOU 1344 C ILE A 878 5721 4335 5283 1459 951 1262 C +ATOM 1345 O ILE A 878 22.851 194.305 26.905 1.00 39.51 O +ANISOU 1345 O ILE A 878 5460 4470 5081 1479 838 1280 O +ATOM 1346 CB ILE A 878 22.517 191.194 27.808 1.00 47.10 C +ANISOU 1346 CB ILE A 878 6668 4962 6266 1737 1161 1622 C +ATOM 1347 CG1 ILE A 878 22.230 190.368 29.080 1.00 56.76 C +ANISOU 1347 CG1 ILE A 878 7920 6148 7495 1819 1216 1857 C +ATOM 1348 CG2 ILE A 878 23.981 191.595 27.790 1.00 50.04 C +ANISOU 1348 CG2 ILE A 878 6874 5546 6591 1902 1111 1710 C +ATOM 1349 CD1 ILE A 878 22.777 190.959 30.370 1.00 59.57 C +ANISOU 1349 CD1 ILE A 878 8098 6840 7696 1891 1087 2036 C +ATOM 1350 N LYS A 879 21.722 193.090 25.393 1.00 38.33 N +ANISOU 1350 N LYS A 879 5574 3888 5100 1386 1025 1096 N +ATOM 1351 CA LYS A 879 22.245 193.860 24.255 1.00 38.11 C +ANISOU 1351 CA LYS A 879 5493 3935 5048 1354 984 951 C +ATOM 1352 C LYS A 879 21.726 195.293 24.166 1.00 35.75 C +ANISOU 1352 C LYS A 879 5119 3815 4649 1187 833 830 C +ATOM 1353 O LYS A 879 22.212 196.073 23.325 1.00 33.95 O +ANISOU 1353 O LYS A 879 4832 3675 4393 1160 789 738 O +ATOM 1354 CB LYS A 879 22.004 193.086 22.957 1.00 38.06 C +ANISOU 1354 CB LYS A 879 5628 3695 5136 1329 1117 810 C +ATOM 1355 CG LYS A 879 22.849 191.851 22.933 1.00 40.80 C +ANISOU 1355 CG LYS A 879 6028 3880 5595 1528 1276 924 C +ATOM 1356 CD LYS A 879 22.645 191.013 21.707 1.00 42.44 C +ANISOU 1356 CD LYS A 879 6384 3841 5898 1502 1428 767 C +ATOM 1357 CE LYS A 879 23.616 189.872 21.720 1.00 46.25 C +ANISOU 1357 CE LYS A 879 6907 4163 6502 1730 1597 889 C +ATOM 1358 NZ LYS A 879 23.436 189.066 20.491 1.00 49.65 N +ANISOU 1358 NZ LYS A 879 7490 4347 7025 1694 1761 703 N +ATOM 1359 N TRP A 880 20.733 195.642 24.996 1.00 32.84 N +ANISOU 1359 N TRP A 880 4754 3490 4232 1079 766 832 N +ATOM 1360 CA TRP A 880 20.217 197.001 25.084 1.00 32.47 C +ANISOU 1360 CA TRP A 880 4635 3600 4102 941 637 734 C +ATOM 1361 C TRP A 880 20.598 197.742 26.373 1.00 33.11 C +ANISOU 1361 C TRP A 880 4588 3901 4091 960 536 828 C +ATOM 1362 O TRP A 880 20.258 198.921 26.541 1.00 31.89 O +ANISOU 1362 O TRP A 880 4370 3869 3874 854 440 744 O +ATOM 1363 CB TRP A 880 18.677 197.001 24.959 1.00 33.37 C +ANISOU 1363 CB TRP A 880 4838 3618 4222 784 635 630 C +ATOM 1364 CG TRP A 880 18.201 196.828 23.564 1.00 31.94 C +ANISOU 1364 CG TRP A 880 4740 3313 4083 704 682 482 C +ATOM 1365 CD1 TRP A 880 17.764 197.805 22.736 1.00 30.86 C +ANISOU 1365 CD1 TRP A 880 4574 3244 3907 598 613 357 C +ATOM 1366 CD2 TRP A 880 18.138 195.598 22.808 1.00 33.76 C +ANISOU 1366 CD2 TRP A 880 5093 3339 4395 723 813 443 C +ATOM 1367 NE1 TRP A 880 17.446 197.274 21.507 1.00 30.72 N +ANISOU 1367 NE1 TRP A 880 4640 3111 3920 547 681 245 N +ATOM 1368 CE2 TRP A 880 17.661 195.927 21.523 1.00 32.39 C +ANISOU 1368 CE2 TRP A 880 4950 3151 4206 612 806 278 C +ATOM 1369 CE3 TRP A 880 18.468 194.271 23.084 1.00 37.05 C +ANISOU 1369 CE3 TRP A 880 5597 3582 4898 825 944 532 C +ATOM 1370 CZ2 TRP A 880 17.492 194.971 20.525 1.00 35.26 C +ANISOU 1370 CZ2 TRP A 880 5426 3349 4623 582 920 175 C +ATOM 1371 CZ3 TRP A 880 18.275 193.324 22.123 1.00 39.68 C +ANISOU 1371 CZ3 TRP A 880 6053 3714 5308 800 1069 431 C +ATOM 1372 CH2 TRP A 880 17.784 193.681 20.847 1.00 38.73 C +ANISOU 1372 CH2 TRP A 880 5960 3599 5156 669 1055 239 C +ATOM 1373 N MET A 881 21.312 197.076 27.267 1.00 34.71 N +ANISOU 1373 N MET A 881 4748 4159 4281 1097 563 999 N +ATOM 1374 CA MET A 881 21.575 197.573 28.607 1.00 36.09 C +ANISOU 1374 CA MET A 881 4806 4558 4347 1109 477 1095 C +ATOM 1375 C MET A 881 22.869 198.378 28.675 1.00 35.68 C +ANISOU 1375 C MET A 881 4594 4730 4232 1157 400 1110 C +ATOM 1376 O MET A 881 23.887 198.042 28.026 1.00 34.04 O +ANISOU 1376 O MET A 881 4352 4512 4070 1269 443 1153 O +ATOM 1377 CB MET A 881 21.710 196.392 29.584 1.00 37.66 C +ANISOU 1377 CB MET A 881 5025 4735 4548 1241 545 1303 C +ATOM 1378 CG MET A 881 20.387 195.742 30.027 1.00 39.24 C +ANISOU 1378 CG MET A 881 5350 4783 4775 1167 602 1319 C +ATOM 1379 SD MET A 881 20.696 194.131 30.787 1.00 43.56 S +ANISOU 1379 SD MET A 881 5955 5216 5378 1351 732 1586 S +ATOM 1380 CE MET A 881 21.623 194.540 32.271 1.00 45.18 C +ANISOU 1380 CE MET A 881 5970 5781 5415 1458 628 1781 C +ATOM 1381 N ALA A 882 22.844 199.415 29.505 1.00 34.10 N +ANISOU 1381 N ALA A 882 4291 4739 3924 1068 294 1073 N +ATOM 1382 CA ALA A 882 24.061 200.147 29.781 1.00 34.78 C +ANISOU 1382 CA ALA A 882 4212 5065 3936 1090 219 1091 C +ATOM 1383 C ALA A 882 25.066 199.283 30.482 1.00 36.41 C +ANISOU 1383 C ALA A 882 4328 5404 4103 1267 238 1299 C +ATOM 1384 O ALA A 882 24.713 198.373 31.229 1.00 37.12 O +ANISOU 1384 O ALA A 882 4461 5461 4179 1348 281 1442 O +ATOM 1385 CB ALA A 882 23.760 201.362 30.595 1.00 34.67 C +ANISOU 1385 CB ALA A 882 4120 5233 3817 946 118 991 C +ATOM 1386 N LEU A 883 26.346 199.562 30.259 1.00 36.82 N +ANISOU 1386 N LEU A 883 4240 5617 4133 1333 210 1333 N +ATOM 1387 CA LEU A 883 27.384 198.762 30.862 1.00 39.31 C +ANISOU 1387 CA LEU A 883 4441 6084 4408 1523 227 1548 C +ATOM 1388 C LEU A 883 27.271 198.703 32.382 1.00 38.56 C +ANISOU 1388 C LEU A 883 4264 6217 4169 1531 161 1672 C +ATOM 1389 O LEU A 883 27.418 197.620 32.974 1.00 38.65 O +ANISOU 1389 O LEU A 883 4279 6230 4176 1696 216 1887 O +ATOM 1390 CB LEU A 883 28.768 199.277 30.469 1.00 42.30 C +ANISOU 1390 CB LEU A 883 4646 6661 4763 1563 188 1548 C +ATOM 1391 CG LEU A 883 29.937 198.443 30.956 1.00 44.84 C +ANISOU 1391 CG LEU A 883 4826 7157 5052 1784 210 1781 C +ATOM 1392 CD1 LEU A 883 29.819 196.968 30.561 1.00 45.92 C +ANISOU 1392 CD1 LEU A 883 5094 7028 5323 1990 360 1932 C +ATOM 1393 CD2 LEU A 883 31.223 199.017 30.417 1.00 49.13 C +ANISOU 1393 CD2 LEU A 883 5194 7889 5581 1800 177 1754 C +ATOM 1394 N GLU A 884 26.966 199.834 33.027 1.00 37.58 N +ANISOU 1394 N GLU A 884 4073 6276 3927 1355 56 1541 N +ATOM 1395 CA GLU A 884 26.807 199.847 34.487 1.00 38.38 C +ANISOU 1395 CA GLU A 884 4094 6622 3864 1341 -7 1633 C +ATOM 1396 C GLU A 884 25.618 199.002 34.973 1.00 39.06 C +ANISOU 1396 C GLU A 884 4332 6535 3971 1366 60 1719 C +ATOM 1397 O GLU A 884 25.592 198.546 36.120 1.00 37.72 O +ANISOU 1397 O GLU A 884 4110 6537 3683 1427 44 1882 O +ATOM 1398 CB GLU A 884 26.705 201.276 35.083 1.00 39.21 C +ANISOU 1398 CB GLU A 884 4105 6953 3839 1132 -120 1441 C +ATOM 1399 CG GLU A 884 25.419 202.082 34.804 1.00 37.13 C +ANISOU 1399 CG GLU A 884 3978 6501 3626 948 -116 1220 C +ATOM 1400 CD GLU A 884 25.417 202.765 33.428 1.00 36.19 C +ANISOU 1400 CD GLU A 884 3919 6183 3647 872 -95 1052 C +ATOM 1401 OE1 GLU A 884 24.462 203.515 33.120 1.00 35.10 O +ANISOU 1401 OE1 GLU A 884 3872 5907 3555 735 -95 883 O +ATOM 1402 OE2 GLU A 884 26.381 202.556 32.637 1.00 37.24 O +ANISOU 1402 OE2 GLU A 884 4000 6305 3842 956 -75 1099 O +ATOM 1403 N SER A 885 24.648 198.795 34.099 1.00 35.64 N +ANISOU 1403 N SER A 885 4078 5782 3680 1312 135 1614 N +ATOM 1404 CA SER A 885 23.499 197.982 34.469 1.00 36.64 C +ANISOU 1404 CA SER A 885 4348 5731 3841 1315 209 1683 C +ATOM 1405 C SER A 885 23.884 196.526 34.393 1.00 38.12 C +ANISOU 1405 C SER A 885 4589 5777 4116 1520 322 1914 C +ATOM 1406 O SER A 885 23.475 195.756 35.242 1.00 40.67 O +ANISOU 1406 O SER A 885 4949 6098 4406 1580 366 2083 O +ATOM 1407 CB SER A 885 22.322 198.244 33.531 1.00 34.13 C +ANISOU 1407 CB SER A 885 4186 5140 3639 1178 250 1488 C +ATOM 1408 OG SER A 885 21.956 199.601 33.553 1.00 33.05 O +ANISOU 1408 OG SER A 885 4005 5106 3444 1010 161 1287 O +ATOM 1409 N ILE A 886 24.711 196.166 33.407 1.00 38.04 N +ANISOU 1409 N ILE A 886 4579 5656 4217 1632 376 1929 N +ATOM 1410 CA ILE A 886 25.224 194.806 33.280 1.00 40.16 C +ANISOU 1410 CA ILE A 886 4892 5778 4586 1850 500 2146 C +ATOM 1411 C ILE A 886 26.116 194.482 34.452 1.00 43.30 C +ANISOU 1411 C ILE A 886 5127 6466 4859 2011 461 2403 C +ATOM 1412 O ILE A 886 25.934 193.470 35.090 1.00 45.41 O +ANISOU 1412 O ILE A 886 5442 6668 5141 2138 540 2621 O +ATOM 1413 CB ILE A 886 26.025 194.577 31.987 1.00 41.30 C +ANISOU 1413 CB ILE A 886 5050 5778 4863 1944 569 2093 C +ATOM 1414 CG1 ILE A 886 25.132 194.803 30.770 1.00 40.09 C +ANISOU 1414 CG1 ILE A 886 5058 5351 4821 1791 613 1853 C +ATOM 1415 CG2 ILE A 886 26.578 193.157 31.926 1.00 44.17 C +ANISOU 1415 CG2 ILE A 886 5460 5980 5342 2189 716 2320 C +ATOM 1416 CD1 ILE A 886 25.892 194.829 29.464 1.00 41.32 C +ANISOU 1416 CD1 ILE A 886 5213 5416 5070 1845 663 1762 C +ATOM 1417 N LEU A 887 27.077 195.338 34.750 1.00 44.39 N +ANISOU 1417 N LEU A 887 5064 6934 4866 2002 340 2384 N +ATOM 1418 CA LEU A 887 28.080 195.025 35.783 1.00 45.75 C +ANISOU 1418 CA LEU A 887 5046 7434 4903 2167 293 2637 C +ATOM 1419 C LEU A 887 27.573 195.209 37.210 1.00 45.79 C +ANISOU 1419 C LEU A 887 4993 7687 4716 2100 216 2722 C +ATOM 1420 O LEU A 887 28.006 194.515 38.127 1.00 47.45 O +ANISOU 1420 O LEU A 887 5113 8077 4836 2264 223 2994 O +ATOM 1421 CB LEU A 887 29.299 195.926 35.600 1.00 46.36 C +ANISOU 1421 CB LEU A 887 4907 7812 4893 2150 186 2566 C +ATOM 1422 CG LEU A 887 30.053 195.822 34.287 1.00 47.71 C +ANISOU 1422 CG LEU A 887 5080 7829 5216 2231 251 2506 C +ATOM 1423 CD1 LEU A 887 31.104 196.924 34.234 1.00 48.51 C +ANISOU 1423 CD1 LEU A 887 4962 8260 5209 2151 129 2407 C +ATOM 1424 CD2 LEU A 887 30.699 194.453 34.160 1.00 50.80 C +ANISOU 1424 CD2 LEU A 887 5477 8108 5715 2524 382 2774 C +ATOM 1425 N HIS A 888 26.669 196.163 37.426 1.00 44.16 N +ANISOU 1425 N HIS A 888 4830 7508 4438 1866 145 2497 N +ATOM 1426 CA HIS A 888 26.291 196.533 38.791 1.00 46.32 C +ANISOU 1426 CA HIS A 888 5024 8074 4501 1782 62 2536 C +ATOM 1427 C HIS A 888 24.798 196.540 39.081 1.00 45.82 C +ANISOU 1427 C HIS A 888 5124 7834 4449 1642 102 2444 C +ATOM 1428 O HIS A 888 24.390 196.789 40.215 1.00 46.83 O +ANISOU 1428 O HIS A 888 5200 8191 4402 1573 50 2474 O +ATOM 1429 CB HIS A 888 26.894 197.898 39.144 1.00 47.33 C +ANISOU 1429 CB HIS A 888 4967 8555 4461 1628 -86 2355 C +ATOM 1430 CG HIS A 888 28.388 197.929 39.064 1.00 50.38 C +ANISOU 1430 CG HIS A 888 5150 9196 4796 1748 -139 2459 C +ATOM 1431 ND1 HIS A 888 29.073 198.740 38.181 1.00 51.47 N +ANISOU 1431 ND1 HIS A 888 5220 9342 4993 1672 -179 2277 N +ATOM 1432 CD2 HIS A 888 29.326 197.211 39.714 1.00 53.93 C +ANISOU 1432 CD2 HIS A 888 5443 9900 5148 1950 -152 2742 C +ATOM 1433 CE1 HIS A 888 30.373 198.543 38.317 1.00 52.54 C +ANISOU 1433 CE1 HIS A 888 5156 9740 5063 1808 -218 2430 C +ATOM 1434 NE2 HIS A 888 30.550 197.616 39.237 1.00 55.96 N +ANISOU 1434 NE2 HIS A 888 5529 10331 5401 1985 -205 2716 N +ATOM 1435 N ARG A 889 23.986 196.258 38.069 1.00 44.53 N +ANISOU 1435 N ARG A 889 5150 7288 4481 1597 195 2330 N +ATOM 1436 CA ARG A 889 22.552 196.183 38.229 1.00 43.95 C +ANISOU 1436 CA ARG A 889 5227 7035 4438 1469 243 2248 C +ATOM 1437 C ARG A 889 21.994 197.539 38.601 1.00 41.71 C +ANISOU 1437 C ARG A 889 4893 6921 4033 1259 141 2006 C +ATOM 1438 O ARG A 889 20.966 197.627 39.229 1.00 42.14 O +ANISOU 1438 O ARG A 889 5000 6981 4028 1162 151 1972 O +ATOM 1439 CB ARG A 889 22.177 195.077 39.245 1.00 47.88 C +ANISOU 1439 CB ARG A 889 5760 7546 4884 1575 317 2521 C +ATOM 1440 CG ARG A 889 22.810 193.748 38.862 1.00 52.65 C +ANISOU 1440 CG ARG A 889 6417 7956 5630 1803 437 2769 C +ATOM 1441 CD ARG A 889 22.117 192.520 39.456 1.00 59.30 C +ANISOU 1441 CD ARG A 889 7379 8632 6519 1881 565 3006 C +ATOM 1442 NE ARG A 889 21.946 192.639 40.894 1.00 64.51 N +ANISOU 1442 NE ARG A 889 7938 9615 6958 1871 505 3156 N +ATOM 1443 CZ ARG A 889 22.582 191.934 41.834 1.00 75.62 C +ANISOU 1443 CZ ARG A 889 9251 11219 8260 2055 520 3480 C +ATOM 1444 NH1 ARG A 889 23.480 191.001 41.518 1.00 75.88 N +ANISOU 1444 NH1 ARG A 889 9277 11144 8407 2291 603 3712 N +ATOM 1445 NH2 ARG A 889 22.298 192.164 43.123 1.00 76.68 N +ANISOU 1445 NH2 ARG A 889 9294 11673 8165 2009 457 3580 N +ATOM 1446 N ILE A 890 22.655 198.596 38.145 1.00 42.00 N +ANISOU 1446 N ILE A 890 4836 7071 4052 1186 56 1830 N +ATOM 1447 CA ILE A 890 22.213 199.973 38.373 1.00 41.63 C +ANISOU 1447 CA ILE A 890 4749 7146 3922 988 -24 1579 C +ATOM 1448 C ILE A 890 21.487 200.510 37.138 1.00 40.06 C +ANISOU 1448 C ILE A 890 4675 6653 3892 882 7 1363 C +ATOM 1449 O ILE A 890 21.985 200.428 36.003 1.00 38.81 O +ANISOU 1449 O ILE A 890 4545 6336 3863 927 31 1335 O +ATOM 1450 CB ILE A 890 23.428 200.860 38.718 1.00 45.81 C +ANISOU 1450 CB ILE A 890 5087 7998 4320 956 -132 1521 C +ATOM 1451 CG1 ILE A 890 23.962 200.503 40.117 1.00 51.12 C +ANISOU 1451 CG1 ILE A 890 5615 9035 4773 1025 -184 1710 C +ATOM 1452 CG2 ILE A 890 23.069 202.327 38.698 1.00 44.88 C +ANISOU 1452 CG2 ILE A 890 4951 7933 4169 749 -192 1235 C +ATOM 1453 CD1 ILE A 890 25.407 200.912 40.317 1.00 56.08 C +ANISOU 1453 CD1 ILE A 890 6036 9980 5289 1055 -276 1738 C +ATOM 1454 N TYR A 891 20.289 201.049 37.368 1.00 38.18 N +ANISOU 1454 N TYR A 891 4505 6357 3643 747 12 1220 N +ATOM 1455 CA TYR A 891 19.495 201.657 36.319 1.00 35.64 C +ANISOU 1455 CA TYR A 891 4281 5801 3458 645 33 1026 C +ATOM 1456 C TYR A 891 19.111 203.086 36.691 1.00 34.46 C +ANISOU 1456 C TYR A 891 4082 5769 3240 491 -25 811 C +ATOM 1457 O TYR A 891 18.759 203.391 37.857 1.00 33.83 O +ANISOU 1457 O TYR A 891 3953 5880 3020 434 -48 791 O +ATOM 1458 CB TYR A 891 18.236 200.835 36.108 1.00 36.48 C +ANISOU 1458 CB TYR A 891 4529 5679 3651 640 120 1065 C +ATOM 1459 CG TYR A 891 18.513 199.408 35.676 1.00 36.69 C +ANISOU 1459 CG TYR A 891 4633 5534 3773 777 204 1254 C +ATOM 1460 CD1 TYR A 891 18.841 198.447 36.599 1.00 37.86 C +ANISOU 1460 CD1 TYR A 891 4759 5775 3851 890 237 1479 C +ATOM 1461 CD2 TYR A 891 18.427 199.037 34.339 1.00 34.27 C +ANISOU 1461 CD2 TYR A 891 4424 4970 3627 793 261 1203 C +ATOM 1462 CE1 TYR A 891 19.100 197.135 36.221 1.00 39.92 C +ANISOU 1462 CE1 TYR A 891 5100 5847 4220 1026 335 1657 C +ATOM 1463 CE2 TYR A 891 18.665 197.734 33.949 1.00 36.35 C +ANISOU 1463 CE2 TYR A 891 4769 5054 3987 911 357 1350 C +ATOM 1464 CZ TYR A 891 19.002 196.797 34.876 1.00 39.67 C +ANISOU 1464 CZ TYR A 891 5174 5538 4359 1031 399 1575 C +ATOM 1465 OH TYR A 891 19.229 195.516 34.456 1.00 41.72 O +ANISOU 1465 OH TYR A 891 5528 5584 4741 1155 514 1719 O +ATOM 1466 N THR A 892 19.141 203.940 35.679 1.00 32.77 N +ANISOU 1466 N THR A 892 3888 5431 3132 426 -36 654 N +ATOM 1467 CA THR A 892 18.861 205.339 35.829 1.00 31.57 C +ANISOU 1467 CA THR A 892 3701 5332 2958 292 -72 448 C +ATOM 1468 C THR A 892 18.241 205.825 34.530 1.00 30.21 C +ANISOU 1468 C THR A 892 3618 4910 2948 252 -40 337 C +ATOM 1469 O THR A 892 18.151 205.100 33.519 1.00 29.17 O +ANISOU 1469 O THR A 892 3561 4599 2923 317 -2 405 O +ATOM 1470 CB THR A 892 20.165 206.164 36.021 1.00 33.62 C +ANISOU 1470 CB THR A 892 3831 5791 3151 252 -138 385 C +ATOM 1471 OG1 THR A 892 20.949 206.031 34.841 1.00 33.19 O +ANISOU 1471 OG1 THR A 892 3778 5623 3208 307 -133 420 O +ATOM 1472 CG2 THR A 892 20.976 205.738 37.225 1.00 35.06 C +ANISOU 1472 CG2 THR A 892 3891 6275 3153 293 -186 502 C +ATOM 1473 N HIS A 893 17.856 207.091 34.516 1.00 29.55 N +ANISOU 1473 N HIS A 893 3524 4818 2883 147 -52 162 N +ATOM 1474 CA HIS A 893 17.418 207.698 33.251 1.00 27.71 C +ANISOU 1474 CA HIS A 893 3354 4377 2796 118 -29 75 C +ATOM 1475 C HIS A 893 18.509 207.631 32.229 1.00 27.45 C +ANISOU 1475 C HIS A 893 3302 4300 2827 160 -41 116 C +ATOM 1476 O HIS A 893 18.250 207.441 31.032 1.00 27.09 O +ANISOU 1476 O HIS A 893 3322 4083 2886 188 -13 128 O +ATOM 1477 CB HIS A 893 16.945 209.140 33.495 1.00 29.71 C +ANISOU 1477 CB HIS A 893 3591 4627 3066 12 -27 -104 C +ATOM 1478 CG HIS A 893 15.798 209.220 34.446 1.00 30.04 C +ANISOU 1478 CG HIS A 893 3652 4711 3051 -21 -2 -156 C +ATOM 1479 ND1 HIS A 893 14.599 208.568 34.217 1.00 30.45 N +ANISOU 1479 ND1 HIS A 893 3773 4651 3143 10 37 -104 N +ATOM 1480 CD2 HIS A 893 15.690 209.786 35.673 1.00 31.43 C +ANISOU 1480 CD2 HIS A 893 3776 5048 3115 -87 -5 -251 C +ATOM 1481 CE1 HIS A 893 13.799 208.762 35.250 1.00 28.41 C +ANISOU 1481 CE1 HIS A 893 3504 4481 2809 -28 59 -158 C +ATOM 1482 NE2 HIS A 893 14.425 209.509 36.127 1.00 29.71 N +ANISOU 1482 NE2 HIS A 893 3600 4806 2881 -84 36 -252 N +ATOM 1483 N GLN A 894 19.756 207.765 32.683 1.00 28.75 N +ANISOU 1483 N GLN A 894 3364 4640 2917 164 -82 139 N +ATOM 1484 CA GLN A 894 20.910 207.720 31.771 1.00 29.81 C +ANISOU 1484 CA GLN A 894 3457 4763 3103 205 -90 182 C +ATOM 1485 C GLN A 894 21.223 206.306 31.246 1.00 30.68 C +ANISOU 1485 C GLN A 894 3606 4808 3243 345 -58 347 C +ATOM 1486 O GLN A 894 21.767 206.157 30.147 1.00 30.28 O +ANISOU 1486 O GLN A 894 3567 4667 3270 388 -36 369 O +ATOM 1487 CB GLN A 894 22.114 208.410 32.432 1.00 32.83 C +ANISOU 1487 CB GLN A 894 3700 5375 3398 145 -145 139 C +ATOM 1488 CG GLN A 894 21.843 209.906 32.717 1.00 33.13 C +ANISOU 1488 CG GLN A 894 3722 5420 3446 -10 -153 -56 C +ATOM 1489 CD GLN A 894 21.341 210.636 31.458 1.00 33.27 C +ANISOU 1489 CD GLN A 894 3825 5195 3620 -44 -109 -128 C +ATOM 1490 OE1 GLN A 894 20.146 210.952 31.319 1.00 32.88 O +ANISOU 1490 OE1 GLN A 894 3862 5002 3629 -62 -75 -186 O +ATOM 1491 NE2 GLN A 894 22.228 210.839 30.510 1.00 32.76 N +ANISOU 1491 NE2 GLN A 894 3728 5098 3618 -39 -106 -105 N +ATOM 1492 N SER A 895 20.872 205.255 31.988 1.00 29.65 N +ANISOU 1492 N SER A 895 3500 4707 3056 418 -40 464 N +ATOM 1493 CA SER A 895 20.908 203.916 31.391 1.00 29.63 C +ANISOU 1493 CA SER A 895 3572 4568 3118 542 20 599 C +ATOM 1494 C SER A 895 19.837 203.729 30.319 1.00 30.84 C +ANISOU 1494 C SER A 895 3856 4478 3383 512 73 536 C +ATOM 1495 O SER A 895 20.058 203.037 29.332 1.00 30.24 O +ANISOU 1495 O SER A 895 3837 4267 3385 576 122 574 O +ATOM 1496 CB SER A 895 20.924 202.811 32.458 1.00 32.99 C +ANISOU 1496 CB SER A 895 3989 5078 3466 636 38 766 C +ATOM 1497 OG SER A 895 19.749 202.759 33.204 1.00 33.27 O +ANISOU 1497 OG SER A 895 4079 5102 3461 575 48 747 O +ATOM 1498 N ASP A 896 18.674 204.350 30.495 1.00 30.87 N +ANISOU 1498 N ASP A 896 3899 4438 3390 414 65 433 N +ATOM 1499 CA ASP A 896 17.664 204.355 29.460 1.00 29.33 C +ANISOU 1499 CA ASP A 896 3798 4061 3285 373 100 366 C +ATOM 1500 C ASP A 896 18.200 205.056 28.192 1.00 28.08 C +ANISOU 1500 C ASP A 896 3629 3846 3193 359 91 300 C +ATOM 1501 O ASP A 896 17.853 204.651 27.096 1.00 24.86 O +ANISOU 1501 O ASP A 896 3290 3307 2847 368 126 291 O +ATOM 1502 CB ASP A 896 16.359 205.054 29.914 1.00 27.99 C +ANISOU 1502 CB ASP A 896 3644 3886 3104 281 90 272 C +ATOM 1503 CG ASP A 896 15.370 204.121 30.671 1.00 30.79 C +ANISOU 1503 CG ASP A 896 4048 4221 3426 281 128 334 C +ATOM 1504 OD1 ASP A 896 15.592 202.868 30.778 1.00 28.96 O +ANISOU 1504 OD1 ASP A 896 3859 3944 3197 349 172 454 O +ATOM 1505 OD2 ASP A 896 14.361 204.697 31.153 1.00 29.80 O +ANISOU 1505 OD2 ASP A 896 3919 4122 3282 213 125 261 O +ATOM 1506 N VAL A 897 19.019 206.110 28.351 1.00 27.13 N +ANISOU 1506 N VAL A 897 3422 3833 3051 324 47 252 N +ATOM 1507 CA VAL A 897 19.610 206.785 27.196 1.00 26.16 C +ANISOU 1507 CA VAL A 897 3284 3666 2989 307 47 209 C +ATOM 1508 C VAL A 897 20.541 205.824 26.410 1.00 26.28 C +ANISOU 1508 C VAL A 897 3304 3656 3025 405 82 296 C +ATOM 1509 O VAL A 897 20.561 205.843 25.178 1.00 25.49 O +ANISOU 1509 O VAL A 897 3243 3462 2979 409 110 275 O +ATOM 1510 CB VAL A 897 20.367 208.072 27.634 1.00 26.42 C +ANISOU 1510 CB VAL A 897 3219 3817 3000 233 5 139 C +ATOM 1511 CG1 VAL A 897 21.239 208.598 26.508 1.00 27.56 C +ANISOU 1511 CG1 VAL A 897 3334 3936 3201 225 14 131 C +ATOM 1512 CG2 VAL A 897 19.396 209.142 28.057 1.00 26.89 C +ANISOU 1512 CG2 VAL A 897 3295 3844 3075 140 -1 29 C +ATOM 1513 N TRP A 898 21.294 204.985 27.102 1.00 27.19 N +ANISOU 1513 N TRP A 898 3376 3858 3094 491 86 396 N +ATOM 1514 CA TRP A 898 22.062 203.908 26.397 1.00 27.92 C +ANISOU 1514 CA TRP A 898 3487 3899 3222 610 143 485 C +ATOM 1515 C TRP A 898 21.147 203.055 25.540 1.00 28.50 C +ANISOU 1515 C TRP A 898 3694 3776 3359 623 210 469 C +ATOM 1516 O TRP A 898 21.386 202.871 24.358 1.00 29.14 O +ANISOU 1516 O TRP A 898 3811 3776 3485 642 252 441 O +ATOM 1517 CB TRP A 898 22.818 203.044 27.375 1.00 28.88 C +ANISOU 1517 CB TRP A 898 3547 4132 3291 722 148 621 C +ATOM 1518 CG TRP A 898 23.684 202.006 26.757 1.00 29.11 C +ANISOU 1518 CG TRP A 898 3582 4110 3367 865 218 719 C +ATOM 1519 CD1 TRP A 898 23.294 200.982 25.931 1.00 29.57 C +ANISOU 1519 CD1 TRP A 898 3763 3968 3504 924 310 729 C +ATOM 1520 CD2 TRP A 898 25.104 201.866 26.906 1.00 29.50 C +ANISOU 1520 CD2 TRP A 898 3504 4313 3389 968 212 813 C +ATOM 1521 NE1 TRP A 898 24.363 200.259 25.537 1.00 30.63 N +ANISOU 1521 NE1 TRP A 898 3865 4102 3671 1063 370 814 N +ATOM 1522 CE2 TRP A 898 25.489 200.753 26.139 1.00 31.34 C +ANISOU 1522 CE2 TRP A 898 3796 4414 3697 1104 311 881 C +ATOM 1523 CE3 TRP A 898 26.079 202.563 27.627 1.00 29.24 C +ANISOU 1523 CE3 TRP A 898 3306 4528 3274 954 137 839 C +ATOM 1524 CZ2 TRP A 898 26.830 200.328 26.050 1.00 31.45 C +ANISOU 1524 CZ2 TRP A 898 3703 4533 3713 1248 340 989 C +ATOM 1525 CZ3 TRP A 898 27.395 202.138 27.564 1.00 30.84 C +ANISOU 1525 CZ3 TRP A 898 3391 4859 3467 1082 153 950 C +ATOM 1526 CH2 TRP A 898 27.766 201.040 26.780 1.00 32.23 C +ANISOU 1526 CH2 TRP A 898 3622 4897 3724 1238 255 1031 C +ATOM 1527 N SER A 899 20.061 202.547 26.123 1.00 27.95 N +ANISOU 1527 N SER A 899 3695 3641 3284 598 224 477 N +ATOM 1528 CA SER A 899 19.080 201.769 25.360 1.00 27.97 C +ANISOU 1528 CA SER A 899 3818 3468 3341 576 286 442 C +ATOM 1529 C SER A 899 18.505 202.534 24.163 1.00 25.60 C +ANISOU 1529 C SER A 899 3542 3120 3065 489 271 327 C +ATOM 1530 O SER A 899 18.260 201.955 23.102 1.00 26.51 O +ANISOU 1530 O SER A 899 3728 3130 3214 485 322 289 O +ATOM 1531 CB SER A 899 17.944 201.357 26.289 1.00 27.81 C +ANISOU 1531 CB SER A 899 3845 3419 3303 533 293 460 C +ATOM 1532 OG SER A 899 18.456 200.670 27.431 1.00 28.70 O +ANISOU 1532 OG SER A 899 3931 3594 3379 618 308 591 O +ATOM 1533 N TYR A 900 18.286 203.843 24.345 1.00 26.92 N +ANISOU 1533 N TYR A 900 3648 3368 3212 418 205 272 N +ATOM 1534 CA TYR A 900 17.809 204.703 23.279 1.00 27.17 C +ANISOU 1534 CA TYR A 900 3686 3369 3265 353 189 196 C +ATOM 1535 C TYR A 900 18.768 204.719 22.097 1.00 26.28 C +ANISOU 1535 C TYR A 900 3564 3252 3169 389 214 198 C +ATOM 1536 O TYR A 900 18.337 204.602 20.929 1.00 26.87 O +ANISOU 1536 O TYR A 900 3686 3272 3252 364 237 157 O +ATOM 1537 CB TYR A 900 17.590 206.134 23.805 1.00 26.74 C +ANISOU 1537 CB TYR A 900 3568 3385 3207 291 133 152 C +ATOM 1538 CG TYR A 900 17.187 207.121 22.753 1.00 26.99 C +ANISOU 1538 CG TYR A 900 3598 3385 3271 243 123 106 C +ATOM 1539 CD1 TYR A 900 15.857 207.299 22.418 1.00 25.13 C +ANISOU 1539 CD1 TYR A 900 3395 3105 3045 202 119 73 C +ATOM 1540 CD2 TYR A 900 18.143 207.893 22.079 1.00 28.33 C +ANISOU 1540 CD2 TYR A 900 3723 3581 3459 243 120 111 C +ATOM 1541 CE1 TYR A 900 15.476 208.231 21.469 1.00 27.35 C +ANISOU 1541 CE1 TYR A 900 3663 3374 3352 176 109 59 C +ATOM 1542 CE2 TYR A 900 17.769 208.799 21.111 1.00 26.94 C +ANISOU 1542 CE2 TYR A 900 3546 3375 3312 208 118 96 C +ATOM 1543 CZ TYR A 900 16.449 208.973 20.806 1.00 27.77 C +ANISOU 1543 CZ TYR A 900 3683 3441 3425 183 111 77 C +ATOM 1544 OH TYR A 900 16.084 209.894 19.838 1.00 25.26 O +ANISOU 1544 OH TYR A 900 3354 3109 3132 166 109 89 O +ATOM 1545 N GLY A 901 20.067 204.872 22.372 1.00 25.14 N +ANISOU 1545 N GLY A 901 3347 3188 3017 443 209 244 N +ATOM 1546 CA GLY A 901 21.036 204.785 21.317 1.00 24.42 C +ANISOU 1546 CA GLY A 901 3237 3104 2936 486 244 254 C +ATOM 1547 C GLY A 901 20.971 203.449 20.595 1.00 24.94 C +ANISOU 1547 C GLY A 901 3389 3069 3017 549 323 256 C +ATOM 1548 O GLY A 901 21.076 203.394 19.362 1.00 25.24 O +ANISOU 1548 O GLY A 901 3455 3077 3055 542 360 215 O +ATOM 1549 N VAL A 902 20.800 202.349 21.324 1.00 27.74 N +ANISOU 1549 N VAL A 902 3790 3364 3383 606 360 302 N +ATOM 1550 CA VAL A 902 20.718 201.034 20.638 1.00 26.83 C +ANISOU 1550 CA VAL A 902 3774 3116 3302 658 458 289 C +ATOM 1551 C VAL A 902 19.452 201.014 19.772 1.00 28.16 C +ANISOU 1551 C VAL A 902 4026 3207 3465 547 464 183 C +ATOM 1552 O VAL A 902 19.459 200.520 18.657 1.00 28.60 O +ANISOU 1552 O VAL A 902 4137 3205 3521 541 524 118 O +ATOM 1553 CB VAL A 902 20.747 199.853 21.640 1.00 29.97 C +ANISOU 1553 CB VAL A 902 4215 3441 3731 742 511 378 C +ATOM 1554 CG1 VAL A 902 20.644 198.530 20.880 1.00 29.52 C +ANISOU 1554 CG1 VAL A 902 4275 3210 3731 785 633 346 C +ATOM 1555 CG2 VAL A 902 22.012 199.881 22.478 1.00 29.08 C +ANISOU 1555 CG2 VAL A 902 3996 3447 3605 861 496 499 C +ATOM 1556 N THR A 903 18.370 201.551 20.304 1.00 26.55 N +ANISOU 1556 N THR A 903 3820 3023 3245 460 404 163 N +ATOM 1557 CA THR A 903 17.108 201.631 19.576 1.00 28.04 C +ANISOU 1557 CA THR A 903 4056 3179 3417 355 395 76 C +ATOM 1558 C THR A 903 17.245 202.440 18.280 1.00 27.04 C +ANISOU 1558 C THR A 903 3898 3117 3256 321 372 28 C +ATOM 1559 O THR A 903 16.815 202.005 17.203 1.00 26.23 O +ANISOU 1559 O THR A 903 3846 2993 3127 275 406 -42 O +ATOM 1560 CB THR A 903 16.021 202.237 20.484 1.00 26.71 C +ANISOU 1560 CB THR A 903 3862 3047 3239 288 332 78 C +ATOM 1561 OG1 THR A 903 15.881 201.405 21.639 1.00 26.45 O +ANISOU 1561 OG1 THR A 903 3859 2964 3224 315 361 132 O +ATOM 1562 CG2 THR A 903 14.703 202.302 19.746 1.00 27.03 C +ANISOU 1562 CG2 THR A 903 3928 3082 3259 187 319 2 C +ATOM 1563 N VAL A 904 17.900 203.601 18.363 1.00 25.95 N +ANISOU 1563 N VAL A 904 3678 3066 3114 339 322 68 N +ATOM 1564 CA VAL A 904 18.213 204.376 17.150 1.00 25.13 C +ANISOU 1564 CA VAL A 904 3542 3023 2982 319 314 54 C +ATOM 1565 C VAL A 904 19.033 203.578 16.127 1.00 27.00 C +ANISOU 1565 C VAL A 904 3811 3246 3199 366 389 29 C +ATOM 1566 O VAL A 904 18.787 203.643 14.890 1.00 26.83 O +ANISOU 1566 O VAL A 904 3807 3259 3127 326 405 -17 O +ATOM 1567 CB VAL A 904 18.897 205.703 17.537 1.00 26.07 C +ANISOU 1567 CB VAL A 904 3572 3213 3121 324 266 106 C +ATOM 1568 CG1 VAL A 904 19.418 206.447 16.295 1.00 28.42 C +ANISOU 1568 CG1 VAL A 904 3835 3565 3396 312 274 118 C +ATOM 1569 CG2 VAL A 904 17.899 206.550 18.299 1.00 25.44 C +ANISOU 1569 CG2 VAL A 904 3473 3133 3057 270 208 102 C +ATOM 1570 N TRP A 905 20.029 202.827 16.609 1.00 27.14 N +ANISOU 1570 N TRP A 905 3830 3231 3251 457 441 64 N +ATOM 1571 CA TRP A 905 20.819 201.958 15.743 1.00 28.14 C +ANISOU 1571 CA TRP A 905 3991 3326 3373 522 534 36 C +ATOM 1572 C TRP A 905 19.979 200.918 15.027 1.00 28.82 C +ANISOU 1572 C TRP A 905 4188 3318 3444 474 599 -66 C +ATOM 1573 O TRP A 905 20.193 200.671 13.846 1.00 28.90 O +ANISOU 1573 O TRP A 905 4224 3346 3411 463 654 -136 O +ATOM 1574 CB TRP A 905 21.916 201.259 16.556 1.00 28.50 C +ANISOU 1574 CB TRP A 905 4012 3345 3471 649 583 111 C +ATOM 1575 CG TRP A 905 22.901 200.517 15.768 1.00 30.10 C +ANISOU 1575 CG TRP A 905 4226 3525 3682 742 686 97 C +ATOM 1576 CD1 TRP A 905 24.092 200.983 15.277 1.00 32.06 C +ANISOU 1576 CD1 TRP A 905 4385 3879 3915 799 702 131 C +ATOM 1577 CD2 TRP A 905 22.818 199.156 15.388 1.00 31.56 C +ANISOU 1577 CD2 TRP A 905 4518 3569 3901 793 803 40 C +ATOM 1578 NE1 TRP A 905 24.732 199.993 14.615 1.00 34.47 N +ANISOU 1578 NE1 TRP A 905 4731 4127 4238 892 820 100 N +ATOM 1579 CE2 TRP A 905 23.997 198.842 14.708 1.00 33.08 C +ANISOU 1579 CE2 TRP A 905 4680 3786 4099 896 889 43 C +ATOM 1580 CE3 TRP A 905 21.887 198.146 15.627 1.00 32.20 C +ANISOU 1580 CE3 TRP A 905 4719 3495 4021 759 854 -10 C +ATOM 1581 CZ2 TRP A 905 24.218 197.597 14.151 1.00 36.09 C +ANISOU 1581 CZ2 TRP A 905 5156 4034 4521 968 1030 -22 C +ATOM 1582 CZ3 TRP A 905 22.111 196.908 15.114 1.00 33.62 C +ANISOU 1582 CZ3 TRP A 905 4995 3531 4246 817 993 -73 C +ATOM 1583 CH2 TRP A 905 23.281 196.624 14.386 1.00 36.83 C +ANISOU 1583 CH2 TRP A 905 5378 3954 4660 928 1084 -82 C +ATOM 1584 N GLU A 906 19.053 200.271 15.742 1.00 28.10 N +ANISOU 1584 N GLU A 906 4159 3132 3383 436 602 -83 N +ATOM 1585 CA GLU A 906 18.167 199.324 15.108 1.00 28.91 C +ANISOU 1585 CA GLU A 906 4362 3146 3473 357 663 -196 C +ATOM 1586 C GLU A 906 17.377 200.020 13.990 1.00 28.92 C +ANISOU 1586 C GLU A 906 4341 3263 3381 243 609 -273 C +ATOM 1587 O GLU A 906 17.146 199.433 12.965 1.00 30.94 O +ANISOU 1587 O GLU A 906 4652 3515 3589 187 665 -382 O +ATOM 1588 CB GLU A 906 17.134 198.781 16.070 1.00 30.07 C +ANISOU 1588 CB GLU A 906 4559 3202 3661 303 658 -192 C +ATOM 1589 CG GLU A 906 17.670 198.010 17.283 1.00 30.83 C +ANISOU 1589 CG GLU A 906 4684 3189 3840 408 711 -94 C +ATOM 1590 CD GLU A 906 16.503 197.579 18.156 1.00 29.83 C +ANISOU 1590 CD GLU A 906 4602 2991 3738 331 704 -89 C +ATOM 1591 OE1 GLU A 906 15.910 196.516 17.849 1.00 31.42 O +ANISOU 1591 OE1 GLU A 906 4905 3059 3972 268 792 -167 O +ATOM 1592 OE2 GLU A 906 16.161 198.288 19.124 1.00 28.02 O +ANISOU 1592 OE2 GLU A 906 4308 2839 3496 322 621 -17 O +ATOM 1593 N LEU A 907 16.957 201.248 14.210 1.00 28.48 N +ANISOU 1593 N LEU A 907 4204 3314 3300 211 506 -214 N +ATOM 1594 CA LEU A 907 16.178 201.950 13.189 1.00 29.49 C +ANISOU 1594 CA LEU A 907 4299 3565 3341 123 452 -251 C +ATOM 1595 C LEU A 907 17.030 202.244 11.984 1.00 27.10 C +ANISOU 1595 C LEU A 907 3974 3348 2975 149 482 -260 C +ATOM 1596 O LEU A 907 16.608 202.075 10.841 1.00 29.13 O +ANISOU 1596 O LEU A 907 4244 3685 3137 82 495 -337 O +ATOM 1597 CB LEU A 907 15.601 203.265 13.760 1.00 29.17 C +ANISOU 1597 CB LEU A 907 4176 3594 3310 109 352 -167 C +ATOM 1598 CG LEU A 907 14.609 203.101 14.937 1.00 30.66 C +ANISOU 1598 CG LEU A 907 4373 3728 3545 75 320 -161 C +ATOM 1599 CD1 LEU A 907 13.950 204.412 15.281 1.00 30.97 C +ANISOU 1599 CD1 LEU A 907 4335 3842 3590 62 238 -100 C +ATOM 1600 CD2 LEU A 907 13.561 202.055 14.678 1.00 32.79 C +ANISOU 1600 CD2 LEU A 907 4703 3966 3787 -17 351 -258 C +ATOM 1601 N MET A 908 18.224 202.737 12.248 1.00 27.96 N +ANISOU 1601 N MET A 908 4034 3464 3123 239 490 -179 N +ATOM 1602 CA MET A 908 19.090 203.262 11.192 1.00 28.73 C +ANISOU 1602 CA MET A 908 4088 3663 3164 263 512 -159 C +ATOM 1603 C MET A 908 19.691 202.107 10.368 1.00 29.08 C +ANISOU 1603 C MET A 908 4197 3678 3174 292 625 -258 C +ATOM 1604 O MET A 908 20.173 202.334 9.242 1.00 29.48 O +ANISOU 1604 O MET A 908 4225 3832 3144 289 658 -276 O +ATOM 1605 CB MET A 908 20.221 204.090 11.788 1.00 29.55 C +ANISOU 1605 CB MET A 908 4113 3786 3328 335 495 -52 C +ATOM 1606 CG MET A 908 19.846 205.363 12.474 1.00 29.89 C +ANISOU 1606 CG MET A 908 4094 3854 3408 305 407 28 C +ATOM 1607 SD MET A 908 18.861 206.465 11.436 1.00 33.88 S +ANISOU 1607 SD MET A 908 4570 4461 3841 230 352 59 S +ATOM 1608 CE MET A 908 18.216 207.598 12.687 1.00 32.14 C +ANISOU 1608 CE MET A 908 4307 4193 3710 215 274 125 C +ATOM 1609 N THR A 909 19.703 200.887 10.924 1.00 30.08 N +ANISOU 1609 N THR A 909 4403 3660 3365 325 695 -316 N +ATOM 1610 CA THR A 909 20.068 199.684 10.133 1.00 31.46 C +ANISOU 1610 CA THR A 909 4661 3770 3522 342 823 -438 C +ATOM 1611 C THR A 909 18.854 198.983 9.581 1.00 32.10 C +ANISOU 1611 C THR A 909 4826 3826 3545 211 842 -584 C +ATOM 1612 O THR A 909 18.929 197.833 9.135 1.00 33.02 O +ANISOU 1612 O THR A 909 5036 3840 3668 200 959 -714 O +ATOM 1613 CB THR A 909 20.828 198.667 11.010 1.00 35.14 C +ANISOU 1613 CB THR A 909 5175 4068 4109 465 916 -411 C +ATOM 1614 OG1 THR A 909 20.028 198.302 12.165 1.00 33.19 O +ANISOU 1614 OG1 THR A 909 4968 3708 3934 441 883 -381 O +ATOM 1615 CG2 THR A 909 22.133 199.265 11.500 1.00 35.25 C +ANISOU 1615 CG2 THR A 909 5086 4141 4163 593 902 -276 C +ATOM 1616 N PHE A 910 17.694 199.629 9.684 1.00 32.82 N +ANISOU 1616 N PHE A 910 4881 3999 3589 108 735 -569 N +ATOM 1617 CA PHE A 910 16.443 199.045 9.200 1.00 35.04 C +ANISOU 1617 CA PHE A 910 5214 4295 3803 -36 735 -703 C +ATOM 1618 C PHE A 910 16.155 197.697 9.863 1.00 35.89 C +ANISOU 1618 C PHE A 910 5434 4191 4010 -56 829 -788 C +ATOM 1619 O PHE A 910 15.725 196.764 9.221 1.00 35.01 O +ANISOU 1619 O PHE A 910 5403 4034 3864 -154 908 -950 O +ATOM 1620 CB PHE A 910 16.461 198.920 7.656 1.00 39.81 C +ANISOU 1620 CB PHE A 910 5823 5044 4259 -108 773 -826 C +ATOM 1621 CG PHE A 910 16.644 200.236 6.963 1.00 38.97 C +ANISOU 1621 CG PHE A 910 5608 5149 4049 -93 687 -720 C +ATOM 1622 CD1 PHE A 910 15.572 201.109 6.841 1.00 39.58 C +ANISOU 1622 CD1 PHE A 910 5608 5372 4056 -167 569 -660 C +ATOM 1623 CD2 PHE A 910 17.876 200.609 6.469 1.00 40.90 C +ANISOU 1623 CD2 PHE A 910 5821 5442 4277 0 731 -666 C +ATOM 1624 CE1 PHE A 910 15.731 202.341 6.240 1.00 40.23 C +ANISOU 1624 CE1 PHE A 910 5596 5625 4061 -141 502 -536 C +ATOM 1625 CE2 PHE A 910 18.040 201.850 5.883 1.00 41.51 C +ANISOU 1625 CE2 PHE A 910 5802 5696 4274 8 662 -549 C +ATOM 1626 CZ PHE A 910 16.964 202.707 5.767 1.00 39.71 C +ANISOU 1626 CZ PHE A 910 5510 5591 3984 -59 550 -480 C +ATOM 1627 N GLY A 911 16.384 197.624 11.167 1.00 35.21 N +ANISOU 1627 N GLY A 911 5351 3980 4044 28 822 -676 N +ATOM 1628 CA GLY A 911 16.041 196.465 11.937 1.00 34.68 C +ANISOU 1628 CA GLY A 911 5383 3714 4079 15 904 -712 C +ATOM 1629 C GLY A 911 17.066 195.379 12.071 1.00 35.69 C +ANISOU 1629 C GLY A 911 5599 3654 4305 134 1053 -723 C +ATOM 1630 O GLY A 911 16.694 194.235 12.266 1.00 36.41 O +ANISOU 1630 O GLY A 911 5801 3563 4469 93 1158 -800 O +ATOM 1631 N SER A 912 18.349 195.694 11.996 1.00 34.70 N +ANISOU 1631 N SER A 912 5425 3563 4195 283 1073 -641 N +ATOM 1632 CA SER A 912 19.379 194.683 12.255 1.00 36.51 C +ANISOU 1632 CA SER A 912 5719 3620 4532 432 1217 -618 C +ATOM 1633 C SER A 912 19.409 194.350 13.731 1.00 35.69 C +ANISOU 1633 C SER A 912 5622 3397 4541 518 1213 -469 C +ATOM 1634 O SER A 912 18.980 195.151 14.561 1.00 33.69 O +ANISOU 1634 O SER A 912 5293 3236 4268 490 1087 -368 O +ATOM 1635 CB SER A 912 20.764 195.169 11.848 1.00 36.68 C +ANISOU 1635 CB SER A 912 5656 3744 4534 573 1232 -553 C +ATOM 1636 OG SER A 912 20.788 195.344 10.442 1.00 39.41 O +ANISOU 1636 OG SER A 912 6006 4197 4770 500 1258 -690 O +ATOM 1637 N LYS A 913 19.916 193.159 14.019 1.00 37.78 N +ANISOU 1637 N LYS A 913 5978 3458 4919 625 1361 -455 N +ATOM 1638 CA LYS A 913 20.098 192.679 15.362 1.00 39.32 C +ANISOU 1638 CA LYS A 913 6182 3537 5218 735 1383 -291 C +ATOM 1639 C LYS A 913 21.400 193.252 15.888 1.00 39.70 C +ANISOU 1639 C LYS A 913 6102 3710 5269 919 1338 -120 C +ATOM 1640 O LYS A 913 22.438 193.087 15.256 1.00 36.03 O +ANISOU 1640 O LYS A 913 5616 3257 4815 1033 1414 -131 O +ATOM 1641 CB LYS A 913 20.185 191.138 15.353 1.00 42.15 C +ANISOU 1641 CB LYS A 913 6693 3611 5708 793 1583 -332 C +ATOM 1642 CG LYS A 913 18.873 190.493 14.979 1.00 45.92 C +ANISOU 1642 CG LYS A 913 7297 3954 6194 588 1635 -504 C +ATOM 1643 CD LYS A 913 18.933 188.983 14.985 1.00 52.88 C +ANISOU 1643 CD LYS A 913 8344 4523 7225 627 1850 -555 C +ATOM 1644 CE LYS A 913 17.669 188.426 14.373 1.00 56.80 C +ANISOU 1644 CE LYS A 913 8954 4916 7708 382 1902 -776 C +ATOM 1645 NZ LYS A 913 17.802 186.959 14.165 1.00 64.04 N +ANISOU 1645 NZ LYS A 913 10049 5504 8779 403 2139 -869 N +ATOM 1646 N PRO A 914 21.380 193.840 17.091 1.00 37.98 N +ANISOU 1646 N PRO A 914 5797 3588 5043 950 1227 34 N +ATOM 1647 CA PRO A 914 22.681 194.318 17.576 1.00 37.85 C +ANISOU 1647 CA PRO A 914 5649 3709 5023 1113 1190 183 C +ATOM 1648 C PRO A 914 23.614 193.197 17.982 1.00 39.48 C +ANISOU 1648 C PRO A 914 5881 3784 5334 1317 1327 298 C +ATOM 1649 O PRO A 914 23.164 192.166 18.539 1.00 39.73 O +ANISOU 1649 O PRO A 914 6021 3621 5454 1347 1420 343 O +ATOM 1650 CB PRO A 914 22.344 195.193 18.792 1.00 36.69 C +ANISOU 1650 CB PRO A 914 5408 3703 4829 1073 1042 295 C +ATOM 1651 CG PRO A 914 20.871 195.131 18.949 1.00 38.37 C +ANISOU 1651 CG PRO A 914 5705 3841 5031 910 1012 217 C +ATOM 1652 CD PRO A 914 20.288 194.108 18.044 1.00 38.00 C +ANISOU 1652 CD PRO A 914 5803 3602 5031 844 1137 75 C +ATOM 1653 N TYR A 915 24.899 193.432 17.721 1.00 39.01 N +ANISOU 1653 N TYR A 915 5715 3838 5268 1458 1343 359 N +ATOM 1654 CA TYR A 915 25.972 192.508 18.009 1.00 42.82 C +ANISOU 1654 CA TYR A 915 6184 4242 5843 1685 1471 486 C +ATOM 1655 C TYR A 915 25.580 191.144 17.446 1.00 47.01 C +ANISOU 1655 C TYR A 915 6902 4471 6486 1708 1664 387 C +ATOM 1656 O TYR A 915 25.600 190.173 18.167 1.00 48.99 O +ANISOU 1656 O TYR A 915 7219 4550 6842 1825 1763 505 O +ATOM 1657 CB TYR A 915 26.223 192.415 19.533 1.00 42.03 C +ANISOU 1657 CB TYR A 915 6004 4206 5759 1797 1414 713 C +ATOM 1658 CG TYR A 915 26.285 193.748 20.256 1.00 38.88 C +ANISOU 1658 CG TYR A 915 5447 4081 5243 1718 1219 774 C +ATOM 1659 CD1 TYR A 915 27.458 194.521 20.263 1.00 38.99 C +ANISOU 1659 CD1 TYR A 915 5283 4330 5201 1791 1152 838 C +ATOM 1660 CD2 TYR A 915 25.177 194.233 20.899 1.00 36.99 C +ANISOU 1660 CD2 TYR A 915 5236 3863 4955 1562 1115 752 C +ATOM 1661 CE1 TYR A 915 27.512 195.747 20.909 1.00 36.54 C +ANISOU 1661 CE1 TYR A 915 4838 4253 4793 1696 988 868 C +ATOM 1662 CE2 TYR A 915 25.199 195.474 21.573 1.00 37.35 C +ANISOU 1662 CE2 TYR A 915 5148 4141 4901 1483 951 785 C +ATOM 1663 CZ TYR A 915 26.374 196.226 21.580 1.00 36.41 C +ANISOU 1663 CZ TYR A 915 4864 4237 4731 1545 891 837 C +ATOM 1664 OH TYR A 915 26.367 197.430 22.250 1.00 33.31 O +ANISOU 1664 OH TYR A 915 4354 4052 4251 1446 745 846 O +ATOM 1665 N ASP A 916 25.189 191.087 16.173 1.00 50.16 N +ANISOU 1665 N ASP A 916 7389 4811 6859 1587 1721 170 N +ATOM 1666 CA ASP A 916 24.505 189.888 15.638 1.00 54.71 C +ANISOU 1666 CA ASP A 916 8160 5100 7525 1530 1890 21 C +ATOM 1667 C ASP A 916 25.391 188.633 15.728 1.00 56.84 C +ANISOU 1667 C ASP A 916 8497 5150 7950 1762 2102 97 C +ATOM 1668 O ASP A 916 26.557 188.640 15.299 1.00 56.48 O +ANISOU 1668 O ASP A 916 8371 5174 7913 1929 2163 129 O +ATOM 1669 CB ASP A 916 24.019 190.102 14.189 1.00 57.65 C +ANISOU 1669 CB ASP A 916 8593 5500 7811 1354 1908 -237 C +ATOM 1670 CG ASP A 916 23.428 188.826 13.573 1.00 61.30 C +ANISOU 1670 CG ASP A 916 9253 5676 8361 1283 2099 -424 C +ATOM 1671 OD1 ASP A 916 22.478 188.258 14.142 1.00 61.18 O +ANISOU 1671 OD1 ASP A 916 9341 5493 8410 1187 2123 -429 O +ATOM 1672 OD2 ASP A 916 23.943 188.355 12.532 1.00 71.94 O +ANISOU 1672 OD2 ASP A 916 10655 6961 9719 1322 2239 -571 O +ATOM 1673 N GLY A 917 24.845 187.575 16.325 1.00 56.83 N +ANISOU 1673 N GLY A 917 8633 4883 8075 1779 2217 141 N +ATOM 1674 CA GLY A 917 25.579 186.347 16.469 1.00 62.08 C +ANISOU 1674 CA GLY A 917 9378 5300 8910 2005 2433 230 C +ATOM 1675 C GLY A 917 26.586 186.322 17.603 1.00 64.14 C +ANISOU 1675 C GLY A 917 9502 5654 9215 2268 2410 541 C +ATOM 1676 O GLY A 917 27.247 185.318 17.785 1.00 67.76 O +ANISOU 1676 O GLY A 917 10008 5917 9819 2489 2591 655 O +ATOM 1677 N ILE A 918 26.708 187.391 18.387 1.00 62.68 N +ANISOU 1677 N ILE A 918 9143 5764 8905 2249 2198 682 N +ATOM 1678 CA ILE A 918 27.564 187.347 19.584 1.00 63.84 C +ANISOU 1678 CA ILE A 918 9151 6033 9071 2475 2161 981 C +ATOM 1679 C ILE A 918 26.737 186.886 20.782 1.00 62.60 C +ANISOU 1679 C ILE A 918 9066 5764 8956 2446 2149 1131 C +ATOM 1680 O ILE A 918 25.679 187.444 21.002 1.00 62.98 O +ANISOU 1680 O ILE A 918 9141 5866 8922 2224 2027 1046 O +ATOM 1681 CB ILE A 918 28.205 188.711 19.862 1.00 62.90 C +ANISOU 1681 CB ILE A 918 8802 6303 8794 2462 1950 1048 C +ATOM 1682 CG1 ILE A 918 29.248 188.997 18.779 1.00 67.52 C +ANISOU 1682 CG1 ILE A 918 9301 6992 9360 2543 1996 957 C +ATOM 1683 CG2 ILE A 918 28.845 188.716 21.239 1.00 63.34 C +ANISOU 1683 CG2 ILE A 918 8710 6521 8834 2640 1883 1341 C +ATOM 1684 CD1 ILE A 918 29.778 190.410 18.773 1.00 67.18 C +ANISOU 1684 CD1 ILE A 918 9054 7303 9166 2472 1805 964 C +ATOM 1685 N PRO A 919 27.199 185.865 21.550 1.00 64.70 N +ANISOU 1685 N PRO A 919 9357 5876 9347 2676 2283 1365 N +ATOM 1686 CA PRO A 919 26.413 185.428 22.716 1.00 64.77 C +ANISOU 1686 CA PRO A 919 9431 5791 9385 2647 2276 1529 C +ATOM 1687 C PRO A 919 26.272 186.538 23.738 1.00 62.98 C +ANISOU 1687 C PRO A 919 9032 5914 8982 2572 2037 1645 C +ATOM 1688 O PRO A 919 27.221 187.295 23.946 1.00 63.51 O +ANISOU 1688 O PRO A 919 8902 6278 8948 2669 1918 1732 O +ATOM 1689 CB PRO A 919 27.244 184.287 23.314 1.00 69.70 C +ANISOU 1689 CB PRO A 919 10067 6254 10160 2960 2452 1804 C +ATOM 1690 CG PRO A 919 28.123 183.803 22.212 1.00 71.02 C +ANISOU 1690 CG PRO A 919 10264 6286 10434 3111 2620 1701 C +ATOM 1691 CD PRO A 919 28.398 185.018 21.355 1.00 68.97 C +ANISOU 1691 CD PRO A 919 9878 6307 10017 2975 2463 1493 C +ATOM 1692 N ALA A 920 25.102 186.633 24.371 1.00 60.78 N +ANISOU 1692 N ALA A 920 8822 5604 8665 2394 1974 1637 N +ATOM 1693 CA ALA A 920 24.835 187.685 25.349 1.00 59.49 C +ANISOU 1693 CA ALA A 920 8513 5754 8333 2301 1761 1716 C +ATOM 1694 C ALA A 920 25.888 187.683 26.466 1.00 58.36 C +ANISOU 1694 C ALA A 920 8197 5838 8138 2534 1712 2016 C +ATOM 1695 O ALA A 920 26.304 188.737 26.949 1.00 56.87 O +ANISOU 1695 O ALA A 920 7826 5987 7795 2509 1534 2048 O +ATOM 1696 CB ALA A 920 23.434 187.528 25.935 1.00 60.18 C +ANISOU 1696 CB ALA A 920 8714 5737 8414 2112 1746 1693 C +ATOM 1697 N SER A 921 26.355 186.508 26.838 1.00 59.54 N +ANISOU 1697 N SER A 921 8397 5808 8415 2761 1876 2232 N +ATOM 1698 CA SER A 921 27.336 186.397 27.903 1.00 61.77 C +ANISOU 1698 CA SER A 921 8507 6316 8643 3001 1838 2545 C +ATOM 1699 C SER A 921 28.690 186.995 27.525 1.00 61.83 C +ANISOU 1699 C SER A 921 8312 6591 8588 3140 1770 2560 C +ATOM 1700 O SER A 921 29.543 187.110 28.375 1.00 62.77 O +ANISOU 1700 O SER A 921 8245 6978 8625 3310 1701 2795 O +ATOM 1701 CB SER A 921 27.535 184.924 28.301 1.00 64.99 C +ANISOU 1701 CB SER A 921 9026 6437 9227 3240 2056 2795 C +ATOM 1702 OG SER A 921 28.058 184.176 27.223 1.00 65.27 O +ANISOU 1702 OG SER A 921 9162 6198 9440 3370 2250 2710 O +ATOM 1703 N GLU A 922 28.908 187.350 26.262 1.00 61.15 N +ANISOU 1703 N GLU A 922 8249 6451 8532 3069 1791 2319 N +ATOM 1704 CA GLU A 922 30.174 187.992 25.870 1.00 60.08 C +ANISOU 1704 CA GLU A 922 7911 6584 8331 3176 1725 2323 C +ATOM 1705 C GLU A 922 30.073 189.501 25.746 1.00 55.47 C +ANISOU 1705 C GLU A 922 7199 6301 7574 2950 1511 2154 C +ATOM 1706 O GLU A 922 31.070 190.175 25.568 1.00 51.94 O +ANISOU 1706 O GLU A 922 6566 6112 7053 3001 1434 2162 O +ATOM 1707 CB GLU A 922 30.657 187.450 24.545 1.00 62.59 C +ANISOU 1707 CB GLU A 922 8313 6682 8784 3266 1898 2185 C +ATOM 1708 CG GLU A 922 30.985 185.977 24.575 1.00 67.07 C +ANISOU 1708 CG GLU A 922 8993 6943 9545 3526 2137 2349 C +ATOM 1709 CD GLU A 922 31.443 185.498 23.228 1.00 70.82 C +ANISOU 1709 CD GLU A 922 9555 7207 10145 3599 2316 2174 C +ATOM 1710 OE1 GLU A 922 31.271 184.296 22.931 1.00 77.35 O +ANISOU 1710 OE1 GLU A 922 10566 7665 11157 3712 2543 2181 O +ATOM 1711 OE2 GLU A 922 31.981 186.327 22.463 1.00 71.71 O +ANISOU 1711 OE2 GLU A 922 9554 7521 10172 3539 2238 2026 O +ATOM 1712 N ILE A 923 28.876 190.041 25.859 1.00 53.09 N +ANISOU 1712 N ILE A 923 6992 5965 7214 2703 1422 2006 N +ATOM 1713 CA ILE A 923 28.678 191.462 25.594 1.00 51.13 C +ANISOU 1713 CA ILE A 923 6654 5940 6832 2485 1247 1825 C +ATOM 1714 C ILE A 923 29.351 192.414 26.589 1.00 52.42 C +ANISOU 1714 C ILE A 923 6587 6491 6839 2489 1073 1940 C +ATOM 1715 O ILE A 923 29.975 193.396 26.182 1.00 48.73 O +ANISOU 1715 O ILE A 923 5985 6230 6299 2425 980 1848 O +ATOM 1716 CB ILE A 923 27.189 191.794 25.500 1.00 48.42 C +ANISOU 1716 CB ILE A 923 6459 5467 6472 2236 1202 1651 C +ATOM 1717 CG1 ILE A 923 26.592 191.174 24.231 1.00 48.83 C +ANISOU 1717 CG1 ILE A 923 6704 5205 6642 2170 1343 1461 C +ATOM 1718 CG2 ILE A 923 26.981 193.280 25.540 1.00 45.31 C +ANISOU 1718 CG2 ILE A 923 5958 5317 5941 2043 1020 1521 C +ATOM 1719 CD1 ILE A 923 27.159 191.686 22.917 1.00 48.81 C +ANISOU 1719 CD1 ILE A 923 6669 5242 6634 2142 1351 1290 C +ATOM 1720 N SER A 924 29.206 192.128 27.880 1.00 52.10 N +ANISOU 1720 N SER A 924 6501 6551 6740 2550 1033 2135 N +ATOM 1721 CA SER A 924 29.922 192.840 28.923 1.00 52.19 C +ANISOU 1721 CA SER A 924 6286 6948 6592 2574 884 2263 C +ATOM 1722 C SER A 924 31.426 193.051 28.597 1.00 52.77 C +ANISOU 1722 C SER A 924 6156 7245 6646 2724 872 2332 C +ATOM 1723 O SER A 924 31.914 194.175 28.618 1.00 50.15 O +ANISOU 1723 O SER A 924 5666 7186 6203 2609 739 2244 O +ATOM 1724 CB SER A 924 29.757 192.067 30.233 1.00 54.93 C +ANISOU 1724 CB SER A 924 6624 7341 6905 2701 900 2523 C +ATOM 1725 OG SER A 924 30.475 192.684 31.259 1.00 57.94 O +ANISOU 1725 OG SER A 924 6776 8124 7112 2727 758 2650 O +ATOM 1726 N SER A 925 32.142 191.989 28.250 1.00 54.02 N +ANISOU 1726 N SER A 925 6322 7278 6924 2973 1021 2479 N +ATOM 1727 CA SER A 925 33.607 192.086 28.062 1.00 56.99 C +ANISOU 1727 CA SER A 925 6479 7894 7280 3148 1018 2582 C +ATOM 1728 C SER A 925 34.004 192.869 26.790 1.00 56.55 C +ANISOU 1728 C SER A 925 6394 7851 7239 3033 1010 2351 C +ATOM 1729 O SER A 925 34.996 193.614 26.819 1.00 54.45 O +ANISOU 1729 O SER A 925 5908 7897 6883 3032 919 2363 O +ATOM 1730 CB SER A 925 34.268 190.700 28.100 1.00 64.86 C +ANISOU 1730 CB SER A 925 7483 8749 8409 3477 1195 2825 C +ATOM 1731 OG SER A 925 34.049 190.029 26.871 1.00 71.24 O +ANISOU 1731 OG SER A 925 8486 9188 9395 3517 1377 2687 O +ATOM 1732 N ILE A 926 33.175 192.741 25.724 1.00 54.77 N +ANISOU 1732 N ILE A 926 6386 7309 7112 2916 1098 2140 N +ATOM 1733 CA ILE A 926 33.240 193.570 24.507 1.00 51.91 C +ANISOU 1733 CA ILE A 926 6033 6943 6746 2760 1081 1904 C +ATOM 1734 C ILE A 926 33.120 195.048 24.840 1.00 47.58 C +ANISOU 1734 C ILE A 926 5365 6657 6053 2527 889 1800 C +ATOM 1735 O ILE A 926 33.948 195.841 24.429 1.00 44.73 O +ANISOU 1735 O ILE A 926 4851 6499 5642 2486 836 1749 O +ATOM 1736 CB ILE A 926 32.154 193.110 23.492 1.00 53.62 C +ANISOU 1736 CB ILE A 926 6511 6795 7066 2659 1195 1712 C +ATOM 1737 CG1 ILE A 926 32.644 191.819 22.821 1.00 58.06 C +ANISOU 1737 CG1 ILE A 926 7159 7120 7778 2886 1408 1762 C +ATOM 1738 CG2 ILE A 926 31.822 194.150 22.432 1.00 53.23 C +ANISOU 1738 CG2 ILE A 926 6489 6763 6972 2438 1136 1471 C +ATOM 1739 CD1 ILE A 926 31.570 191.100 22.039 1.00 59.65 C +ANISOU 1739 CD1 ILE A 926 7624 6952 8086 2803 1540 1595 C +ATOM 1740 N LEU A 927 32.092 195.418 25.588 1.00 45.21 N +ANISOU 1740 N LEU A 927 5136 6346 5693 2372 797 1765 N +ATOM 1741 CA LEU A 927 31.840 196.823 25.910 1.00 43.54 C +ANISOU 1741 CA LEU A 927 4842 6338 5364 2143 635 1643 C +ATOM 1742 C LEU A 927 32.949 197.371 26.799 1.00 45.27 C +ANISOU 1742 C LEU A 927 4804 6931 5463 2182 526 1762 C +ATOM 1743 O LEU A 927 33.349 198.522 26.675 1.00 43.41 O +ANISOU 1743 O LEU A 927 4447 6887 5157 2033 431 1656 O +ATOM 1744 CB LEU A 927 30.496 196.973 26.619 1.00 42.36 C +ANISOU 1744 CB LEU A 927 4818 6095 5179 1999 579 1594 C +ATOM 1745 CG LEU A 927 29.274 196.647 25.772 1.00 41.50 C +ANISOU 1745 CG LEU A 927 4941 5663 5164 1905 658 1447 C +ATOM 1746 CD1 LEU A 927 27.987 196.766 26.600 1.00 41.78 C +ANISOU 1746 CD1 LEU A 927 5072 5642 5159 1776 603 1423 C +ATOM 1747 CD2 LEU A 927 29.213 197.549 24.543 1.00 40.12 C +ANISOU 1747 CD2 LEU A 927 4784 5459 4998 1761 640 1248 C +ATOM 1748 N GLU A 928 33.432 196.538 27.711 1.00 48.53 N +ANISOU 1748 N GLU A 928 5133 7453 5853 2378 544 1988 N +ATOM 1749 CA GLU A 928 34.491 196.953 28.606 1.00 51.54 C +ANISOU 1749 CA GLU A 928 5251 8228 6102 2424 438 2118 C +ATOM 1750 C GLU A 928 35.766 197.272 27.833 1.00 52.32 C +ANISOU 1750 C GLU A 928 5178 8485 6215 2482 454 2105 C +ATOM 1751 O GLU A 928 36.463 198.197 28.188 1.00 55.20 O +ANISOU 1751 O GLU A 928 5340 9165 6467 2377 339 2078 O +ATOM 1752 CB GLU A 928 34.778 195.877 29.671 1.00 55.26 C +ANISOU 1752 CB GLU A 928 5661 8790 6545 2658 467 2401 C +ATOM 1753 CG GLU A 928 33.693 195.755 30.710 1.00 55.40 C +ANISOU 1753 CG GLU A 928 5781 8769 6495 2580 419 2438 C +ATOM 1754 CD GLU A 928 34.067 194.795 31.829 1.00 62.12 C +ANISOU 1754 CD GLU A 928 6543 9765 7294 2808 437 2746 C +ATOM 1755 OE1 GLU A 928 33.806 193.568 31.696 1.00 63.14 O +ANISOU 1755 OE1 GLU A 928 6814 9619 7556 2999 585 2895 O +ATOM 1756 OE2 GLU A 928 34.608 195.295 32.845 1.00 60.26 O +ANISOU 1756 OE2 GLU A 928 6095 9922 6879 2786 305 2836 O +ATOM 1757 N LYS A 929 36.065 196.532 26.772 1.00 51.57 N +ANISOU 1757 N LYS A 929 5161 8177 6256 2633 603 2112 N +ATOM 1758 CA LYS A 929 37.207 196.871 25.912 1.00 54.70 C +ANISOU 1758 CA LYS A 929 5404 8709 6669 2674 633 2079 C +ATOM 1759 C LYS A 929 37.004 198.136 25.035 1.00 52.54 C +ANISOU 1759 C LYS A 929 5154 8429 6376 2410 578 1835 C +ATOM 1760 O LYS A 929 37.948 198.586 24.375 1.00 52.72 O +ANISOU 1760 O LYS A 929 5035 8598 6396 2405 590 1802 O +ATOM 1761 CB LYS A 929 37.578 195.684 25.028 1.00 57.73 C +ANISOU 1761 CB LYS A 929 5870 8863 7200 2921 825 2147 C +ATOM 1762 CG LYS A 929 38.075 194.482 25.811 1.00 64.34 C +ANISOU 1762 CG LYS A 929 6641 9732 8073 3221 899 2423 C +ATOM 1763 CD LYS A 929 38.850 193.526 24.913 1.00 70.29 C +ANISOU 1763 CD LYS A 929 7397 10344 8966 3480 1090 2490 C +ATOM 1764 CE LYS A 929 39.345 192.306 25.672 1.00 77.53 C +ANISOU 1764 CE LYS A 929 8252 11264 9938 3806 1182 2788 C +ATOM 1765 NZ LYS A 929 38.176 191.612 26.286 1.00 80.66 N +ANISOU 1765 NZ LYS A 929 8874 11386 10384 3803 1218 2841 N +ATOM 1766 N GLY A 930 35.797 198.699 25.017 1.00 47.42 N +ANISOU 1766 N GLY A 930 4677 7619 5721 2201 527 1678 N +ATOM 1767 CA GLY A 930 35.542 199.984 24.327 1.00 45.82 C +ANISOU 1767 CA GLY A 930 4491 7420 5499 1953 468 1475 C +ATOM 1768 C GLY A 930 34.892 199.827 22.966 1.00 44.43 C +ANISOU 1768 C GLY A 930 4515 6947 5419 1916 571 1337 C +ATOM 1769 O GLY A 930 34.729 200.788 22.238 1.00 42.67 O +ANISOU 1769 O GLY A 930 4310 6713 5188 1744 544 1196 O +ATOM 1770 N GLU A 931 34.551 198.599 22.608 1.00 46.44 N +ANISOU 1770 N GLU A 931 4916 6967 5762 2077 697 1381 N +ATOM 1771 CA GLU A 931 33.885 198.337 21.352 1.00 43.53 C +ANISOU 1771 CA GLU A 931 4739 6332 5468 2036 798 1239 C +ATOM 1772 C GLU A 931 32.422 198.727 21.469 1.00 39.04 C +ANISOU 1772 C GLU A 931 4341 5603 4887 1849 738 1119 C +ATOM 1773 O GLU A 931 31.830 198.628 22.536 1.00 35.39 O +ANISOU 1773 O GLU A 931 3903 5145 4398 1827 675 1176 O +ATOM 1774 CB GLU A 931 34.026 196.867 20.988 1.00 47.72 C +ANISOU 1774 CB GLU A 931 5370 6659 6102 2261 965 1309 C +ATOM 1775 CG GLU A 931 33.201 196.429 19.802 1.00 49.02 C +ANISOU 1775 CG GLU A 931 5751 6539 6333 2207 1076 1146 C +ATOM 1776 CD GLU A 931 33.453 194.984 19.403 1.00 56.40 C +ANISOU 1776 CD GLU A 931 6784 7262 7382 2424 1265 1191 C +ATOM 1777 OE1 GLU A 931 32.591 194.474 18.632 1.00 56.59 O +ANISOU 1777 OE1 GLU A 931 7009 7033 7459 2363 1356 1050 O +ATOM 1778 OE2 GLU A 931 34.493 194.375 19.841 1.00 53.70 O +ANISOU 1778 OE2 GLU A 931 6317 7009 7077 2651 1325 1363 O +ATOM 1779 N ARG A 932 31.854 199.204 20.359 1.00 35.16 N +ANISOU 1779 N ARG A 932 3954 4995 4408 1715 757 961 N +ATOM 1780 CA ARG A 932 30.467 199.588 20.303 1.00 33.55 C +ANISOU 1780 CA ARG A 932 3900 4651 4196 1547 709 848 C +ATOM 1781 C ARG A 932 29.876 199.167 18.970 1.00 34.08 C +ANISOU 1781 C ARG A 932 4124 4519 4305 1519 807 722 C +ATOM 1782 O ARG A 932 30.581 198.718 18.108 1.00 33.54 O +ANISOU 1782 O ARG A 932 4045 4433 4263 1614 908 710 O +ATOM 1783 CB ARG A 932 30.317 201.117 20.431 1.00 33.81 C +ANISOU 1783 CB ARG A 932 3854 4826 4164 1354 583 778 C +ATOM 1784 CG ARG A 932 30.845 201.701 21.743 1.00 33.48 C +ANISOU 1784 CG ARG A 932 3654 5006 4062 1332 476 858 C +ATOM 1785 CD ARG A 932 29.991 201.278 22.900 1.00 33.87 C +ANISOU 1785 CD ARG A 932 3768 5007 4093 1337 436 904 C +ATOM 1786 NE ARG A 932 30.370 201.906 24.148 1.00 32.94 N +ANISOU 1786 NE ARG A 932 3506 5118 3892 1290 329 955 N +ATOM 1787 CZ ARG A 932 31.306 201.471 24.994 1.00 34.79 C +ANISOU 1787 CZ ARG A 932 3593 5545 4078 1415 311 1098 C +ATOM 1788 NH1 ARG A 932 31.523 202.129 26.133 1.00 35.08 N +ANISOU 1788 NH1 ARG A 932 3501 5810 4016 1337 204 1117 N +ATOM 1789 NH2 ARG A 932 31.965 200.356 24.767 1.00 36.55 N +ANISOU 1789 NH2 ARG A 932 3799 5739 4348 1621 403 1224 N +ATOM 1790 N LEU A 933 28.570 199.360 18.802 1.00 31.95 N +ANISOU 1790 N LEU A 933 3988 4122 4028 1380 776 622 N +ATOM 1791 CA LEU A 933 27.915 199.034 17.557 1.00 33.24 C +ANISOU 1791 CA LEU A 933 4288 4135 4206 1324 852 491 C +ATOM 1792 C LEU A 933 28.463 199.931 16.449 1.00 33.92 C +ANISOU 1792 C LEU A 933 4305 4337 4245 1262 845 431 C +ATOM 1793 O LEU A 933 28.745 201.117 16.693 1.00 33.63 O +ANISOU 1793 O LEU A 933 4158 4449 4168 1177 749 454 O +ATOM 1794 CB LEU A 933 26.404 199.236 17.683 1.00 31.37 C +ANISOU 1794 CB LEU A 933 4169 3796 3955 1175 795 410 C +ATOM 1795 CG LEU A 933 25.670 198.221 18.605 1.00 31.53 C +ANISOU 1795 CG LEU A 933 4287 3669 4024 1214 826 454 C +ATOM 1796 CD1 LEU A 933 24.345 198.743 19.067 1.00 30.90 C +ANISOU 1796 CD1 LEU A 933 4257 3567 3914 1063 737 406 C +ATOM 1797 CD2 LEU A 933 25.534 196.879 17.905 1.00 33.11 C +ANISOU 1797 CD2 LEU A 933 4622 3666 4290 1284 978 398 C +ATOM 1798 N PRO A 934 28.553 199.397 15.244 1.00 35.14 N +ANISOU 1798 N PRO A 934 4530 4419 4402 1289 953 346 N +ATOM 1799 CA PRO A 934 29.198 200.127 14.179 1.00 35.29 C +ANISOU 1799 CA PRO A 934 4476 4562 4369 1251 966 310 C +ATOM 1800 C PRO A 934 28.299 201.198 13.556 1.00 34.32 C +ANISOU 1800 C PRO A 934 4388 4470 4182 1069 885 237 C +ATOM 1801 O PRO A 934 27.076 201.225 13.786 1.00 33.90 O +ANISOU 1801 O PRO A 934 4428 4327 4124 978 833 190 O +ATOM 1802 CB PRO A 934 29.575 199.024 13.176 1.00 39.23 C +ANISOU 1802 CB PRO A 934 5048 4969 4886 1357 1125 239 C +ATOM 1803 CG PRO A 934 28.493 198.000 13.349 1.00 39.73 C +ANISOU 1803 CG PRO A 934 5282 4821 4992 1347 1173 168 C +ATOM 1804 CD PRO A 934 28.147 198.036 14.819 1.00 38.77 C +ANISOU 1804 CD PRO A 934 5139 4680 4912 1358 1084 278 C +ATOM 1805 N GLN A 935 28.928 202.100 12.827 1.00 32.57 N +ANISOU 1805 N GLN A 935 4076 4382 3915 1024 877 245 N +ATOM 1806 CA GLN A 935 28.239 203.154 12.107 1.00 31.87 C +ANISOU 1806 CA GLN A 935 4007 4333 3769 876 818 207 C +ATOM 1807 C GLN A 935 27.352 202.605 11.004 1.00 31.97 C +ANISOU 1807 C GLN A 935 4147 4274 3724 834 872 97 C +ATOM 1808 O GLN A 935 27.842 202.013 10.058 1.00 32.07 O +ANISOU 1808 O GLN A 935 4179 4303 3702 886 976 42 O +ATOM 1809 CB GLN A 935 29.271 204.134 11.537 1.00 32.91 C +ANISOU 1809 CB GLN A 935 4011 4621 3872 850 823 260 C +ATOM 1810 CG GLN A 935 28.658 205.434 11.012 1.00 33.32 C +ANISOU 1810 CG GLN A 935 4062 4712 3884 705 756 268 C +ATOM 1811 CD GLN A 935 29.693 206.530 10.743 1.00 34.42 C +ANISOU 1811 CD GLN A 935 4069 4986 4021 660 756 341 C +ATOM 1812 OE1 GLN A 935 30.898 206.303 11.174 1.00 36.25 O +ANISOU 1812 OE1 GLN A 935 4298 5248 4227 559 734 368 O +ATOM 1813 NE2 GLN A 935 29.391 207.564 10.119 1.00 35.36 N +ANISOU 1813 NE2 GLN A 935 4076 5188 4170 734 788 383 N +ATOM 1814 N PRO A 936 26.016 202.784 11.111 1.00 29.84 N +ANISOU 1814 N PRO A 936 3959 3940 3437 734 805 54 N +ATOM 1815 CA PRO A 936 25.192 202.287 10.022 1.00 31.56 C +ANISOU 1815 CA PRO A 936 4277 4131 3581 675 848 -58 C +ATOM 1816 C PRO A 936 25.533 203.002 8.686 1.00 33.31 C +ANISOU 1816 C PRO A 936 4454 4498 3703 628 868 -60 C +ATOM 1817 O PRO A 936 25.865 204.187 8.689 1.00 35.38 O +ANISOU 1817 O PRO A 936 4627 4854 3960 592 811 33 O +ATOM 1818 CB PRO A 936 23.774 202.623 10.473 1.00 30.69 C +ANISOU 1818 CB PRO A 936 4217 3973 3468 572 752 -72 C +ATOM 1819 CG PRO A 936 23.867 202.713 11.966 1.00 32.29 C +ANISOU 1819 CG PRO A 936 4388 4117 3762 612 698 4 C +ATOM 1820 CD PRO A 936 25.213 203.322 12.221 1.00 31.47 C +ANISOU 1820 CD PRO A 936 4166 4107 3684 675 698 94 C +ATOM 1821 N PRO A 937 25.486 202.295 7.579 1.00 36.00 N +ANISOU 1821 N PRO A 937 4855 4858 3964 625 958 -167 N +ATOM 1822 CA PRO A 937 25.795 202.916 6.284 1.00 36.01 C +ANISOU 1822 CA PRO A 937 4812 5020 3847 582 983 -164 C +ATOM 1823 C PRO A 937 25.102 204.249 5.948 1.00 34.57 C +ANISOU 1823 C PRO A 937 4586 4943 3603 476 877 -78 C +ATOM 1824 O PRO A 937 25.713 205.111 5.325 1.00 34.41 O +ANISOU 1824 O PRO A 937 4489 5046 3537 464 884 4 O +ATOM 1825 CB PRO A 937 25.355 201.830 5.284 1.00 39.42 C +ANISOU 1825 CB PRO A 937 5347 5444 4187 558 1076 -333 C +ATOM 1826 CG PRO A 937 25.594 200.539 6.019 1.00 40.50 C +ANISOU 1826 CG PRO A 937 5557 5396 4435 653 1160 -403 C +ATOM 1827 CD PRO A 937 25.339 200.827 7.468 1.00 38.44 C +ANISOU 1827 CD PRO A 937 5273 5039 4292 673 1064 -297 C +ATOM 1828 N ILE A 938 23.826 204.400 6.278 1.00 32.69 N +ANISOU 1828 N ILE A 938 4394 4660 3363 404 792 -91 N +ATOM 1829 CA ILE A 938 23.136 205.617 5.944 1.00 32.72 C +ANISOU 1829 CA ILE A 938 4357 4756 3320 328 704 1 C +ATOM 1830 C ILE A 938 23.514 206.819 6.810 1.00 31.78 C +ANISOU 1830 C ILE A 938 4161 4605 3307 335 643 138 C +ATOM 1831 O ILE A 938 23.113 207.921 6.493 1.00 32.95 O +ANISOU 1831 O ILE A 938 4273 4810 3437 287 594 233 O +ATOM 1832 CB ILE A 938 21.589 205.452 5.990 1.00 29.62 C +ANISOU 1832 CB ILE A 938 4019 4347 2887 252 633 -51 C +ATOM 1833 CG1 ILE A 938 21.109 205.145 7.403 1.00 29.12 C +ANISOU 1833 CG1 ILE A 938 3988 4127 2948 266 587 -63 C +ATOM 1834 CG2 ILE A 938 21.147 204.403 4.974 1.00 30.76 C +ANISOU 1834 CG2 ILE A 938 4230 4554 2902 206 691 -202 C +ATOM 1835 CD1 ILE A 938 19.592 205.220 7.567 1.00 29.06 C +ANISOU 1835 CD1 ILE A 938 4006 4119 2915 189 509 -86 C +ATOM 1836 N CYS A 939 24.196 206.597 7.921 1.00 30.65 N +ANISOU 1836 N CYS A 939 3997 4374 3275 390 647 147 N +ATOM 1837 CA CYS A 939 24.378 207.627 8.936 1.00 30.25 C +ANISOU 1837 CA CYS A 939 3884 4285 3323 373 583 237 C +ATOM 1838 C CYS A 939 25.614 208.453 8.642 1.00 30.73 C +ANISOU 1838 C CYS A 939 3848 4426 3399 373 618 321 C +ATOM 1839 O CYS A 939 26.730 207.918 8.592 1.00 32.92 O +ANISOU 1839 O CYS A 939 4081 4746 3680 433 682 309 O +ATOM 1840 CB CYS A 939 24.576 207.023 10.329 1.00 31.61 C +ANISOU 1840 CB CYS A 939 4061 4362 3585 423 565 211 C +ATOM 1841 SG CYS A 939 23.076 206.244 10.933 1.00 32.99 S +ANISOU 1841 SG CYS A 939 4339 4428 3767 403 521 134 S +ATOM 1842 N THR A 940 25.426 209.760 8.631 1.00 28.02 N +ANISOU 1842 N THR A 940 3467 4090 3087 307 577 410 N +ATOM 1843 CA THR A 940 26.545 210.684 8.670 1.00 27.65 C +ANISOU 1843 CA THR A 940 3326 4089 3090 277 603 490 C +ATOM 1844 C THR A 940 27.228 210.598 10.013 1.00 27.47 C +ANISOU 1844 C THR A 940 3248 4029 3159 291 580 468 C +ATOM 1845 O THR A 940 26.648 210.069 10.954 1.00 26.18 O +ANISOU 1845 O THR A 940 3127 3791 3026 316 533 414 O +ATOM 1846 CB THR A 940 26.050 212.121 8.428 1.00 28.04 C +ANISOU 1846 CB THR A 940 3366 4111 3175 199 577 589 C +ATOM 1847 OG1 THR A 940 25.036 212.464 9.395 1.00 27.18 O +ANISOU 1847 OG1 THR A 940 3299 3888 3139 178 505 570 O +ATOM 1848 CG2 THR A 940 25.500 212.225 6.980 1.00 28.84 C +ANISOU 1848 CG2 THR A 940 3498 4299 3160 195 602 643 C +ATOM 1849 N ILE A 941 28.433 211.152 10.118 1.00 27.79 N +ANISOU 1849 N ILE A 941 3184 4138 3235 265 610 514 N +ATOM 1850 CA ILE A 941 29.096 211.252 11.406 1.00 29.19 C +ANISOU 1850 CA ILE A 941 3285 4320 3484 256 576 498 C +ATOM 1851 C ILE A 941 28.268 211.982 12.475 1.00 29.24 C +ANISOU 1851 C ILE A 941 3323 4225 3561 186 500 478 C +ATOM 1852 O ILE A 941 28.327 211.672 13.695 1.00 27.22 O +ANISOU 1852 O ILE A 941 3045 3962 3333 199 453 436 O +ATOM 1853 CB ILE A 941 30.521 211.828 11.265 1.00 29.34 C +ANISOU 1853 CB ILE A 941 3168 4456 3523 213 621 547 C +ATOM 1854 CG1 ILE A 941 31.208 211.930 12.617 1.00 30.67 C +ANISOU 1854 CG1 ILE A 941 3237 4670 3744 190 575 524 C +ATOM 1855 CG2 ILE A 941 30.517 213.190 10.569 1.00 31.27 C +ANISOU 1855 CG2 ILE A 941 3400 4685 3796 97 646 618 C +ATOM 1856 CD1 ILE A 941 32.700 211.989 12.490 1.00 34.24 C +ANISOU 1856 CD1 ILE A 941 3535 5281 4190 186 622 560 C +ATOM 1857 N ASP A 942 27.491 212.957 12.049 1.00 29.38 N +ANISOU 1857 N ASP A 942 3388 4170 3605 119 492 514 N +ATOM 1858 CA ASP A 942 26.679 213.711 12.990 1.00 30.30 C +ANISOU 1858 CA ASP A 942 3536 4178 3795 61 439 490 C +ATOM 1859 C ASP A 942 25.702 212.790 13.705 1.00 30.15 C +ANISOU 1859 C ASP A 942 3588 4112 3753 122 386 424 C +ATOM 1860 O ASP A 942 25.517 212.896 14.928 1.00 29.86 O +ANISOU 1860 O ASP A 942 3544 4043 3758 100 343 375 O +ATOM 1861 CB ASP A 942 25.875 214.783 12.258 1.00 31.41 C +ANISOU 1861 CB ASP A 942 3726 4239 3969 15 453 560 C +ATOM 1862 CG ASP A 942 26.725 215.741 11.508 1.00 32.91 C +ANISOU 1862 CG ASP A 942 3859 4455 4189 -50 517 645 C +ATOM 1863 OD1 ASP A 942 27.319 215.421 10.442 1.00 33.54 O +ANISOU 1863 OD1 ASP A 942 3911 4635 4195 -25 566 698 O +ATOM 1864 OD2 ASP A 942 26.787 216.866 11.960 1.00 34.70 O +ANISOU 1864 OD2 ASP A 942 4072 4595 4517 -136 528 659 O +ATOM 1865 N VAL A 943 25.038 211.903 12.956 1.00 31.47 N +ANISOU 1865 N VAL A 943 3825 4281 3850 186 395 417 N +ATOM 1866 CA VAL A 943 24.090 210.964 13.582 1.00 28.30 C +ANISOU 1866 CA VAL A 943 3493 3828 3431 230 357 355 C +ATOM 1867 C VAL A 943 24.794 209.882 14.387 1.00 30.79 C +ANISOU 1867 C VAL A 943 3786 4172 3740 295 362 320 C +ATOM 1868 O VAL A 943 24.371 209.555 15.517 1.00 29.85 O +ANISOU 1868 O VAL A 943 3683 4015 3642 305 322 289 O +ATOM 1869 CB VAL A 943 23.116 210.341 12.568 1.00 30.19 C +ANISOU 1869 CB VAL A 943 3809 4063 3596 253 366 341 C +ATOM 1870 CG1 VAL A 943 22.213 209.320 13.243 1.00 29.89 C +ANISOU 1870 CG1 VAL A 943 3839 3968 3549 281 339 272 C +ATOM 1871 CG2 VAL A 943 22.276 211.429 11.896 1.00 28.80 C +ANISOU 1871 CG2 VAL A 943 3643 3877 3421 206 349 402 C +ATOM 1872 N TYR A 944 25.867 209.327 13.859 1.00 27.39 N +ANISOU 1872 N TYR A 944 3311 3814 3280 349 417 335 N +ATOM 1873 CA TYR A 944 26.602 208.343 14.634 1.00 28.18 C +ANISOU 1873 CA TYR A 944 3375 3946 3384 434 429 328 C +ATOM 1874 C TYR A 944 27.163 208.891 15.924 1.00 29.57 C +ANISOU 1874 C TYR A 944 3459 4177 3598 401 378 344 C +ATOM 1875 O TYR A 944 27.189 208.181 16.939 1.00 31.18 O +ANISOU 1875 O TYR A 944 3656 4388 3801 458 355 344 O +ATOM 1876 CB TYR A 944 27.709 207.734 13.823 1.00 29.66 C +ANISOU 1876 CB TYR A 944 3516 4210 3542 510 508 347 C +ATOM 1877 CG TYR A 944 28.355 206.514 14.440 1.00 30.48 C +ANISOU 1877 CG TYR A 944 3597 4328 3654 635 542 356 C +ATOM 1878 CD1 TYR A 944 27.601 205.428 14.912 1.00 29.08 C +ANISOU 1878 CD1 TYR A 944 3518 4045 3485 698 548 326 C +ATOM 1879 CD2 TYR A 944 29.736 206.429 14.535 1.00 31.64 C +ANISOU 1879 CD2 TYR A 944 3618 4598 3805 697 577 406 C +ATOM 1880 CE1 TYR A 944 28.217 204.323 15.484 1.00 30.69 C +ANISOU 1880 CE1 TYR A 944 3703 4247 3709 829 592 360 C +ATOM 1881 CE2 TYR A 944 30.357 205.318 15.039 1.00 32.13 C +ANISOU 1881 CE2 TYR A 944 3649 4680 3879 837 617 438 C +ATOM 1882 CZ TYR A 944 29.607 204.276 15.550 1.00 30.34 C +ANISOU 1882 CZ TYR A 944 3528 4330 3669 908 626 423 C +ATOM 1883 OH TYR A 944 30.302 203.203 16.065 1.00 31.55 O +ANISOU 1883 OH TYR A 944 3645 4496 3847 1064 678 482 O +ATOM 1884 N MET A 945 27.642 210.127 15.902 1.00 27.38 N +ANISOU 1884 N MET A 945 3108 3945 3350 305 365 359 N +ATOM 1885 CA MET A 945 28.179 210.745 17.105 1.00 32.97 C +ANISOU 1885 CA MET A 945 3723 4720 4084 242 317 346 C +ATOM 1886 C MET A 945 27.153 210.789 18.238 1.00 32.60 C +ANISOU 1886 C MET A 945 3733 4606 4046 218 257 299 C +ATOM 1887 O MET A 945 27.499 210.521 19.391 1.00 32.23 O +ANISOU 1887 O MET A 945 3627 4638 3978 229 219 290 O +ATOM 1888 CB MET A 945 28.658 212.158 16.820 1.00 37.14 C +ANISOU 1888 CB MET A 945 4188 5264 4658 113 328 349 C +ATOM 1889 CG MET A 945 29.360 212.807 17.996 1.00 43.19 C +ANISOU 1889 CG MET A 945 4844 6122 5442 21 288 311 C +ATOM 1890 SD MET A 945 31.003 212.073 18.315 1.00 54.86 S +ANISOU 1890 SD MET A 945 6149 7827 6866 85 293 353 S +ATOM 1891 CE MET A 945 31.814 212.562 16.783 1.00 50.80 C +ANISOU 1891 CE MET A 945 5591 7338 6371 53 378 407 C +ATOM 1892 N ILE A 946 25.897 211.085 17.910 1.00 30.95 N +ANISOU 1892 N ILE A 946 3628 4273 3857 192 251 277 N +ATOM 1893 CA ILE A 946 24.854 211.023 18.904 1.00 30.52 C +ANISOU 1893 CA ILE A 946 3628 4161 3808 181 206 233 C +ATOM 1894 C ILE A 946 24.740 209.631 19.524 1.00 29.48 C +ANISOU 1894 C ILE A 946 3521 4049 3630 279 198 244 C +ATOM 1895 O ILE A 946 24.661 209.483 20.733 1.00 29.60 O +ANISOU 1895 O ILE A 946 3511 4105 3628 277 160 230 O +ATOM 1896 CB ILE A 946 23.483 211.456 18.354 1.00 32.77 C +ANISOU 1896 CB ILE A 946 4006 4325 4117 156 206 221 C +ATOM 1897 CG1 ILE A 946 23.549 212.913 17.935 1.00 36.65 C +ANISOU 1897 CG1 ILE A 946 4477 4776 4672 70 222 230 C +ATOM 1898 CG2 ILE A 946 22.412 211.256 19.432 1.00 32.05 C +ANISOU 1898 CG2 ILE A 946 3960 4190 4025 154 166 175 C +ATOM 1899 CD1 ILE A 946 22.300 213.309 17.155 1.00 39.23 C +ANISOU 1899 CD1 ILE A 946 4878 5009 5016 75 229 256 C +ATOM 1900 N MET A 947 24.739 208.618 18.685 1.00 29.49 N +ANISOU 1900 N MET A 947 3571 4020 3610 361 243 268 N +ATOM 1901 CA MET A 947 24.669 207.259 19.155 1.00 30.93 C +ANISOU 1901 CA MET A 947 3792 4187 3772 458 259 287 C +ATOM 1902 C MET A 947 25.810 206.945 20.066 1.00 30.73 C +ANISOU 1902 C MET A 947 3661 4282 3730 517 249 339 C +ATOM 1903 O MET A 947 25.587 206.383 21.138 1.00 29.40 O +ANISOU 1903 O MET A 947 3496 4130 3544 556 225 363 O +ATOM 1904 CB MET A 947 24.745 206.285 17.998 1.00 32.82 C +ANISOU 1904 CB MET A 947 4093 4373 4002 531 332 289 C +ATOM 1905 CG MET A 947 23.392 205.947 17.420 1.00 37.87 C +ANISOU 1905 CG MET A 947 4850 4903 4633 498 341 237 C +ATOM 1906 SD MET A 947 23.582 204.951 15.902 1.00 41.19 S +ANISOU 1906 SD MET A 947 5337 5286 5024 551 435 202 S +ATOM 1907 CE MET A 947 23.305 206.304 14.879 1.00 33.45 C +ANISOU 1907 CE MET A 947 4331 4360 4017 456 405 199 C +ATOM 1908 N VAL A 948 27.037 207.247 19.602 1.00 29.74 N +ANISOU 1908 N VAL A 948 3435 4259 3603 529 271 367 N +ATOM 1909 CA VAL A 948 28.222 207.013 20.387 1.00 30.51 C +ANISOU 1909 CA VAL A 948 3402 4514 3677 584 257 425 C +ATOM 1910 C VAL A 948 28.139 207.714 21.739 1.00 29.25 C +ANISOU 1910 C VAL A 948 3176 4448 3489 498 176 402 C +ATOM 1911 O VAL A 948 28.530 207.146 22.763 1.00 31.06 O +ANISOU 1911 O VAL A 948 3339 4789 3673 562 149 457 O +ATOM 1912 CB VAL A 948 29.522 207.428 19.625 1.00 33.98 C +ANISOU 1912 CB VAL A 948 3723 5067 4118 582 292 450 C +ATOM 1913 CG1 VAL A 948 30.729 207.431 20.550 1.00 35.72 C +ANISOU 1913 CG1 VAL A 948 3771 5495 4303 609 258 504 C +ATOM 1914 CG2 VAL A 948 29.805 206.446 18.485 1.00 36.09 C +ANISOU 1914 CG2 VAL A 948 4038 5279 4393 704 384 477 C +ATOM 1915 N LYS A 949 27.660 208.955 21.776 1.00 28.30 N +ANISOU 1915 N LYS A 949 3068 4293 3391 356 145 325 N +ATOM 1916 CA LYS A 949 27.554 209.643 23.045 1.00 29.77 C +ANISOU 1916 CA LYS A 949 3200 4562 3549 262 82 274 C +ATOM 1917 C LYS A 949 26.592 208.945 24.043 1.00 29.77 C +ANISOU 1917 C LYS A 949 3268 4531 3509 309 54 279 C +ATOM 1918 O LYS A 949 26.812 208.996 25.268 1.00 28.46 O +ANISOU 1918 O LYS A 949 3030 4504 3280 286 5 274 O +ATOM 1919 CB LYS A 949 27.100 211.074 22.831 1.00 32.69 C +ANISOU 1919 CB LYS A 949 3595 4851 3974 112 79 182 C +ATOM 1920 CG LYS A 949 28.184 211.980 22.292 1.00 38.05 C +ANISOU 1920 CG LYS A 949 4175 5597 4683 24 99 172 C +ATOM 1921 CD LYS A 949 27.522 213.315 21.989 1.00 43.61 C +ANISOU 1921 CD LYS A 949 4942 6160 5467 -103 119 100 C +ATOM 1922 CE LYS A 949 28.518 214.315 21.457 1.00 52.71 C +ANISOU 1922 CE LYS A 949 6010 7349 6667 -215 153 91 C +ATOM 1923 NZ LYS A 949 27.801 215.603 21.313 1.00 57.97 N +ANISOU 1923 NZ LYS A 949 6749 7850 7425 -328 183 29 N +ATOM 1924 N CYS A 950 25.538 208.325 23.509 1.00 29.25 N +ANISOU 1924 N CYS A 950 3335 4303 3474 360 87 286 N +ATOM 1925 CA CYS A 950 24.644 207.529 24.316 1.00 30.13 C +ANISOU 1925 CA CYS A 950 3514 4375 3557 406 77 305 C +ATOM 1926 C CYS A 950 25.314 206.319 24.992 1.00 31.10 C +ANISOU 1926 C CYS A 950 3591 4593 3632 534 85 415 C +ATOM 1927 O CYS A 950 24.744 205.768 25.916 1.00 29.31 O +ANISOU 1927 O CYS A 950 3394 4373 3367 562 72 448 O +ATOM 1928 CB CYS A 950 23.448 207.061 23.502 1.00 27.76 C +ANISOU 1928 CB CYS A 950 3352 3894 3299 421 116 287 C +ATOM 1929 SG CYS A 950 22.355 208.365 22.974 1.00 28.05 S +ANISOU 1929 SG CYS A 950 3441 3832 3383 301 102 193 S +ATOM 1930 N TRP A 951 26.492 205.907 24.495 1.00 31.07 N +ANISOU 1930 N TRP A 951 3512 4660 3632 620 114 481 N +ATOM 1931 CA TRP A 951 27.192 204.726 24.927 1.00 31.88 C +ANISOU 1931 CA TRP A 951 3568 4833 3709 773 141 607 C +ATOM 1932 C TRP A 951 28.537 205.008 25.608 1.00 32.39 C +ANISOU 1932 C TRP A 951 3444 5153 3709 795 94 668 C +ATOM 1933 O TRP A 951 29.422 204.141 25.691 1.00 34.49 O +ANISOU 1933 O TRP A 951 3634 5504 3963 944 125 789 O +ATOM 1934 CB TRP A 951 27.415 203.777 23.737 1.00 31.76 C +ANISOU 1934 CB TRP A 951 3624 4681 3759 890 237 643 C +ATOM 1935 CG TRP A 951 26.186 203.424 22.954 1.00 29.04 C +ANISOU 1935 CG TRP A 951 3450 4117 3466 859 284 574 C +ATOM 1936 CD1 TRP A 951 24.933 203.234 23.429 1.00 28.07 C +ANISOU 1936 CD1 TRP A 951 3428 3893 3343 810 271 544 C +ATOM 1937 CD2 TRP A 951 26.115 203.183 21.547 1.00 29.08 C +ANISOU 1937 CD2 TRP A 951 3530 4002 3514 870 355 523 C +ATOM 1938 NE1 TRP A 951 24.074 202.905 22.405 1.00 29.08 N +ANISOU 1938 NE1 TRP A 951 3681 3852 3514 782 322 477 N +ATOM 1939 CE2 TRP A 951 24.775 202.873 21.237 1.00 28.52 C +ANISOU 1939 CE2 TRP A 951 3600 3772 3464 816 372 459 C +ATOM 1940 CE3 TRP A 951 27.038 203.212 20.523 1.00 31.10 C +ANISOU 1940 CE3 TRP A 951 3741 4291 3784 913 405 522 C +ATOM 1941 CZ2 TRP A 951 24.356 202.587 19.954 1.00 29.90 C +ANISOU 1941 CZ2 TRP A 951 3865 3832 3660 798 431 390 C +ATOM 1942 CZ3 TRP A 951 26.623 202.909 19.246 1.00 32.80 C +ANISOU 1942 CZ3 TRP A 951 4057 4383 4022 904 472 455 C +ATOM 1943 CH2 TRP A 951 25.277 202.620 18.970 1.00 30.18 C +ANISOU 1943 CH2 TRP A 951 3861 3906 3698 841 480 385 C +ATOM 1944 N MET A 952 28.658 206.198 26.160 1.00 33.03 N +ANISOU 1944 N MET A 952 3442 5360 3744 646 24 583 N +ATOM 1945 CA MET A 952 29.768 206.579 26.958 1.00 35.06 C +ANISOU 1945 CA MET A 952 3514 5887 3919 621 -34 610 C +ATOM 1946 C MET A 952 29.697 205.843 28.286 1.00 37.33 C +ANISOU 1946 C MET A 952 3758 6316 4109 702 -74 711 C +ATOM 1947 O MET A 952 28.617 205.600 28.792 1.00 32.01 O +ANISOU 1947 O MET A 952 3196 5541 3426 692 -76 697 O +ATOM 1948 CB MET A 952 29.702 208.047 27.283 1.00 39.43 C +ANISOU 1948 CB MET A 952 4021 6506 4455 413 -88 462 C +ATOM 1949 CG MET A 952 29.632 208.929 26.083 1.00 43.85 C +ANISOU 1949 CG MET A 952 4634 6916 5111 316 -47 373 C +ATOM 1950 SD MET A 952 31.249 209.497 25.680 1.00 50.27 S +ANISOU 1950 SD MET A 952 5255 7927 5916 264 -49 382 S +ATOM 1951 CE MET A 952 30.787 211.222 25.735 1.00 50.18 C +ANISOU 1951 CE MET A 952 5276 7837 5953 17 -63 205 C +ATOM 1952 N ILE A 953 30.856 205.550 28.850 1.00 36.88 N +ANISOU 1952 N ILE A 953 3524 6515 3973 777 -107 816 N +ATOM 1953 CA ILE A 953 30.938 204.906 30.133 1.00 41.07 C +ANISOU 1953 CA ILE A 953 3981 7233 4389 861 -152 938 C +ATOM 1954 C ILE A 953 30.433 205.793 31.265 1.00 42.06 C +ANISOU 1954 C ILE A 953 4077 7499 4405 687 -234 822 C +ATOM 1955 O ILE A 953 29.826 205.292 32.204 1.00 41.77 O +ANISOU 1955 O ILE A 953 4076 7502 4293 727 -251 886 O +ATOM 1956 CB ILE A 953 32.365 204.398 30.387 1.00 44.57 C +ANISOU 1956 CB ILE A 953 4218 7946 4768 997 -168 1095 C +ATOM 1957 CG1 ILE A 953 32.569 203.129 29.570 1.00 49.47 C +ANISOU 1957 CG1 ILE A 953 4909 8389 5495 1227 -61 1244 C +ATOM 1958 CG2 ILE A 953 32.613 204.089 31.853 1.00 48.95 C +ANISOU 1958 CG2 ILE A 953 4641 8794 5161 1039 -244 1211 C +ATOM 1959 CD1 ILE A 953 33.951 202.546 29.666 1.00 55.15 C +ANISOU 1959 CD1 ILE A 953 5431 9341 6179 1401 -54 1415 C +ATOM 1960 N ASP A 954 30.705 207.098 31.216 1.00 42.34 N +ANISOU 1960 N ASP A 954 4046 7613 4427 491 -276 653 N +ATOM 1961 CA ASP A 954 30.250 207.957 32.278 1.00 43.69 C +ANISOU 1961 CA ASP A 954 4194 7906 4499 322 -338 518 C +ATOM 1962 C ASP A 954 28.805 208.301 31.974 1.00 39.37 C +ANISOU 1962 C ASP A 954 3851 7063 4043 256 -294 405 C +ATOM 1963 O ASP A 954 28.520 209.013 31.019 1.00 35.02 O +ANISOU 1963 O ASP A 954 3381 6313 3612 176 -255 299 O +ATOM 1964 CB ASP A 954 31.068 209.224 32.403 1.00 48.75 C +ANISOU 1964 CB ASP A 954 4692 8726 5102 124 -384 365 C +ATOM 1965 CG ASP A 954 30.518 210.129 33.503 1.00 55.30 C +ANISOU 1965 CG ASP A 954 5518 9657 5834 -61 -430 192 C +ATOM 1966 OD1 ASP A 954 30.131 209.591 34.546 1.00 64.70 O +ANISOU 1966 OD1 ASP A 954 6699 10984 6900 -10 -465 252 O +ATOM 1967 OD2 ASP A 954 30.407 211.354 33.328 1.00 58.44 O +ANISOU 1967 OD2 ASP A 954 5935 9981 6285 -253 -418 -1 O +ATOM 1968 N ALA A 955 27.881 207.774 32.759 1.00 35.85 N +ANISOU 1968 N ALA A 955 3482 6596 3541 298 -296 442 N +ATOM 1969 CA ALA A 955 26.468 207.924 32.457 1.00 35.85 C +ANISOU 1969 CA ALA A 955 3663 6329 3626 262 -250 361 C +ATOM 1970 C ALA A 955 26.019 209.401 32.370 1.00 34.98 C +ANISOU 1970 C ALA A 955 3584 6146 3561 69 -252 145 C +ATOM 1971 O ALA A 955 25.159 209.762 31.577 1.00 33.51 O +ANISOU 1971 O ALA A 955 3525 5713 3494 43 -205 79 O +ATOM 1972 CB ALA A 955 25.641 207.218 33.527 1.00 36.69 C +ANISOU 1972 CB ALA A 955 3815 6484 3641 313 -256 431 C +ATOM 1973 N ASP A 956 26.600 210.232 33.212 1.00 39.06 N +ANISOU 1973 N ASP A 956 3979 6883 3979 -63 -302 37 N +ATOM 1974 CA ASP A 956 26.248 211.625 33.255 1.00 43.34 C +ANISOU 1974 CA ASP A 956 4547 7351 4567 -247 -288 -173 C +ATOM 1975 C ASP A 956 26.800 212.377 32.061 1.00 43.60 C +ANISOU 1975 C ASP A 956 4581 7247 4737 -308 -254 -223 C +ATOM 1976 O ASP A 956 26.404 213.506 31.860 1.00 43.00 O +ANISOU 1976 O ASP A 956 4559 7034 4744 -439 -219 -375 O +ATOM 1977 CB ASP A 956 26.739 212.266 34.543 1.00 47.07 C +ANISOU 1977 CB ASP A 956 4889 8108 4884 -391 -344 -296 C +ATOM 1978 CG ASP A 956 25.947 211.813 35.739 1.00 49.16 C +ANISOU 1978 CG ASP A 956 5177 8487 5015 -364 -363 -286 C +ATOM 1979 OD1 ASP A 956 24.721 211.548 35.606 1.00 54.32 O +ANISOU 1979 OD1 ASP A 956 5973 8932 5731 -308 -316 -275 O +ATOM 1980 OD2 ASP A 956 26.563 211.683 36.790 1.00 62.33 O +ANISOU 1980 OD2 ASP A 956 6708 10469 6504 -399 -425 -277 O +ATOM 1981 N SER A 957 27.726 211.774 31.318 1.00 40.48 N +ANISOU 1981 N SER A 957 4122 6893 4364 -213 -256 -94 N +ATOM 1982 CA SER A 957 28.192 212.332 30.035 1.00 39.63 C +ANISOU 1982 CA SER A 957 4025 6644 4385 -249 -211 -110 C +ATOM 1983 C SER A 957 27.299 212.075 28.866 1.00 36.90 C +ANISOU 1983 C SER A 957 3840 6011 4166 -164 -149 -65 C +ATOM 1984 O SER A 957 27.515 212.627 27.806 1.00 35.82 O +ANISOU 1984 O SER A 957 3727 5752 4129 -200 -108 -80 O +ATOM 1985 CB SER A 957 29.552 211.749 29.648 1.00 39.30 C +ANISOU 1985 CB SER A 957 3843 6777 4312 -170 -227 11 C +ATOM 1986 OG SER A 957 30.463 212.284 30.543 1.00 44.27 O +ANISOU 1986 OG SER A 957 4301 7683 4834 -293 -284 -56 O +ATOM 1987 N ARG A 958 26.346 211.181 29.008 1.00 34.57 N +ANISOU 1987 N ARG A 958 3646 5626 3860 -51 -142 1 N +ATOM 1988 CA AARG A 958 25.516 210.830 27.878 0.50 34.07 C +ANISOU 1988 CA AARG A 958 3721 5324 3899 22 -89 41 C +ATOM 1989 CA BARG A 958 25.442 210.813 27.914 0.50 30.46 C +ANISOU 1989 CA BARG A 958 3269 4862 3440 23 -89 40 C +ATOM 1990 C ARG A 958 24.488 211.963 27.678 1.00 31.36 C +ANISOU 1990 C ARG A 958 3467 4810 3636 -84 -64 -80 C +ATOM 1991 O ARG A 958 24.220 212.724 28.578 1.00 30.55 O +ANISOU 1991 O ARG A 958 3347 4753 3506 -185 -78 -190 O +ATOM 1992 CB AARG A 958 24.907 209.448 28.126 0.50 35.84 C +ANISOU 1992 CB AARG A 958 4012 5516 4085 162 -83 150 C +ATOM 1993 CB BARG A 958 24.628 209.561 28.271 0.50 26.99 C +ANISOU 1993 CB BARG A 958 2909 4380 2964 145 -84 130 C +ATOM 1994 CG AARG A 958 25.935 208.554 28.817 0.50 38.82 C +ANISOU 1994 CG AARG A 958 4277 6104 4368 257 -112 267 C +ATOM 1995 CG BARG A 958 25.491 208.322 28.272 0.50 25.07 C +ANISOU 1995 CG BARG A 958 2610 4236 2677 288 -82 277 C +ATOM 1996 CD AARG A 958 25.941 207.104 28.394 0.50 40.89 C +ANISOU 1996 CD AARG A 958 4593 6291 4649 431 -68 414 C +ATOM 1997 CD BARG A 958 24.857 207.085 28.848 0.50 22.20 C +ANISOU 1997 CD BARG A 958 2311 3848 2275 399 -69 378 C +ATOM 1998 NE AARG A 958 24.940 206.348 29.098 0.50 40.07 N +ANISOU 1998 NE AARG A 958 4575 6134 4515 478 -60 459 N +ATOM 1999 NE BARG A 958 25.904 206.127 29.270 0.50 21.81 N +ANISOU 1999 NE BARG A 958 2164 3957 2164 529 -74 526 N +ATOM 2000 CZ AARG A 958 25.175 205.454 30.061 0.50 41.37 C +ANISOU 2000 CZ AARG A 958 4695 6424 4597 573 -71 583 C +ATOM 2001 CZ BARG A 958 25.732 205.226 30.238 0.50 22.74 C +ANISOU 2001 CZ BARG A 958 2277 4152 2209 617 -80 639 C +ATOM 2002 NH1AARG A 958 26.403 205.144 30.466 0.50 43.09 N +ANISOU 2002 NH1AARG A 958 4773 6850 4748 649 -98 686 N +ATOM 2003 NH1BARG A 958 26.713 204.381 30.589 0.50 23.17 N +ANISOU 2003 NH1BARG A 958 2234 4353 2215 755 -79 797 N +ATOM 2004 NH2AARG A 958 24.141 204.859 30.620 0.50 39.77 N +ANISOU 2004 NH2AARG A 958 4585 6147 4379 594 -52 617 N +ATOM 2005 NH2BARG A 958 24.566 205.190 30.863 0.50 21.83 N +ANISOU 2005 NH2BARG A 958 2247 3974 2070 571 -80 605 N +ATOM 2006 N PRO A 959 23.967 212.102 26.471 1.00 30.94 N +ANISOU 2006 N PRO A 959 3503 4572 3679 -59 -20 -61 N +ATOM 2007 CA PRO A 959 22.959 213.135 26.304 1.00 31.47 C +ANISOU 2007 CA PRO A 959 3645 4485 3825 -132 7 -149 C +ATOM 2008 C PRO A 959 21.739 212.879 27.203 1.00 31.99 C +ANISOU 2008 C PRO A 959 3770 4529 3855 -117 -1 -187 C +ATOM 2009 O PRO A 959 21.466 211.745 27.598 1.00 28.87 O +ANISOU 2009 O PRO A 959 3390 4184 3393 -35 -19 -118 O +ATOM 2010 CB PRO A 959 22.565 213.002 24.829 1.00 32.18 C +ANISOU 2010 CB PRO A 959 3810 4424 3991 -73 45 -80 C +ATOM 2011 CG PRO A 959 23.633 212.186 24.195 1.00 31.91 C +ANISOU 2011 CG PRO A 959 3728 4469 3927 -5 46 7 C +ATOM 2012 CD PRO A 959 24.122 211.281 25.268 1.00 31.62 C +ANISOU 2012 CD PRO A 959 3629 4587 3796 45 8 39 C +ATOM 2013 N LYS A 960 21.003 213.935 27.475 1.00 30.12 N +ANISOU 2013 N LYS A 960 3566 4202 3673 -192 23 -289 N +ATOM 2014 CA LYS A 960 19.694 213.856 28.094 1.00 30.02 C +ANISOU 2014 CA LYS A 960 3613 4141 3649 -175 32 -329 C +ATOM 2015 C LYS A 960 18.597 213.745 27.039 1.00 29.06 C +ANISOU 2015 C LYS A 960 3576 3857 3608 -110 61 -273 C +ATOM 2016 O LYS A 960 18.723 214.244 25.932 1.00 26.13 O +ANISOU 2016 O LYS A 960 3223 3388 3317 -107 85 -242 O +ATOM 2017 CB LYS A 960 19.439 215.099 28.951 1.00 33.87 C +ANISOU 2017 CB LYS A 960 4089 4617 4160 -281 58 -481 C +ATOM 2018 CG LYS A 960 20.463 215.359 30.071 1.00 38.51 C +ANISOU 2018 CG LYS A 960 4582 5397 4650 -380 27 -571 C +ATOM 2019 CD LYS A 960 20.485 214.283 31.176 1.00 44.63 C +ANISOU 2019 CD LYS A 960 5315 6373 5268 -337 -24 -529 C +ATOM 2020 CE LYS A 960 19.184 214.186 32.037 1.00 52.31 C +ANISOU 2020 CE LYS A 960 6339 7334 6199 -324 -5 -581 C +ATOM 2021 NZ LYS A 960 18.890 212.859 32.754 1.00 50.97 N +ANISOU 2021 NZ LYS A 960 6163 7298 5904 -242 -39 -472 N +ATOM 2022 N PHE A 961 17.498 213.086 27.374 1.00 26.61 N +ANISOU 2022 N PHE A 961 3308 3533 3266 -62 59 -256 N +ATOM 2023 CA PHE A 961 16.424 212.929 26.415 1.00 27.19 C +ANISOU 2023 CA PHE A 961 3441 3491 3397 -12 78 -208 C +ATOM 2024 C PHE A 961 15.951 214.266 25.852 1.00 29.44 C +ANISOU 2024 C PHE A 961 3739 3656 3790 -36 117 -246 C +ATOM 2025 O PHE A 961 15.649 214.385 24.656 1.00 27.32 O +ANISOU 2025 O PHE A 961 3494 3312 3573 0 128 -179 O +ATOM 2026 CB PHE A 961 15.254 212.154 27.036 1.00 27.79 C +ANISOU 2026 CB PHE A 961 3547 3586 3426 15 77 -203 C +ATOM 2027 CG PHE A 961 15.523 210.664 27.162 1.00 24.21 C +ANISOU 2027 CG PHE A 961 3107 3191 2897 61 58 -122 C +ATOM 2028 CD1 PHE A 961 15.745 209.900 26.039 1.00 25.84 C +ANISOU 2028 CD1 PHE A 961 3348 3350 3120 104 62 -51 C +ATOM 2029 CD2 PHE A 961 15.555 210.042 28.410 1.00 26.44 C +ANISOU 2029 CD2 PHE A 961 3374 3577 3095 61 48 -116 C +ATOM 2030 CE1 PHE A 961 16.016 208.542 26.134 1.00 25.74 C +ANISOU 2030 CE1 PHE A 961 3359 3357 3061 152 66 16 C +ATOM 2031 CE2 PHE A 961 15.805 208.687 28.522 1.00 27.17 C +ANISOU 2031 CE2 PHE A 961 3486 3698 3137 115 47 -22 C +ATOM 2032 CZ PHE A 961 16.058 207.930 27.390 1.00 27.82 C +ANISOU 2032 CZ PHE A 961 3610 3702 3257 163 61 41 C +ATOM 2033 N ARG A 962 15.965 215.291 26.674 1.00 25.89 N +ANISOU 2033 N ARG A 962 3272 3191 3373 -96 145 -349 N +ATOM 2034 CA ARG A 962 15.503 216.593 26.221 1.00 29.88 C +ANISOU 2034 CA ARG A 962 3796 3552 4001 -107 202 -380 C +ATOM 2035 C ARG A 962 16.466 217.180 25.181 1.00 30.57 C +ANISOU 2035 C ARG A 962 3878 3578 4158 -132 219 -329 C +ATOM 2036 O ARG A 962 16.029 217.850 24.278 1.00 29.88 O +ANISOU 2036 O ARG A 962 3814 3373 4163 -99 257 -271 O +ATOM 2037 CB ARG A 962 15.268 217.536 27.392 1.00 34.21 C +ANISOU 2037 CB ARG A 962 4339 4079 4577 -171 248 -526 C +ATOM 2038 CG ARG A 962 16.486 217.871 28.238 1.00 40.04 C +ANISOU 2038 CG ARG A 962 5034 4909 5270 -282 240 -633 C +ATOM 2039 CD ARG A 962 16.202 218.958 29.291 1.00 47.14 C +ANISOU 2039 CD ARG A 962 5937 5768 6206 -363 304 -808 C +ATOM 2040 NE ARG A 962 15.722 220.187 28.612 1.00 56.14 N +ANISOU 2040 NE ARG A 962 7124 6684 7520 -351 393 -820 N +ATOM 2041 CZ ARG A 962 16.470 221.029 27.875 1.00 58.44 C +ANISOU 2041 CZ ARG A 962 7424 6857 7922 -403 435 -806 C +ATOM 2042 NH1 ARG A 962 17.784 220.846 27.733 1.00 57.52 N +ANISOU 2042 NH1 ARG A 962 7261 6835 7758 -485 395 -801 N +ATOM 2043 NH2 ARG A 962 15.897 222.091 27.290 1.00 60.99 N +ANISOU 2043 NH2 ARG A 962 7796 6967 8409 -369 527 -789 N +ATOM 2044 N GLU A 963 17.772 216.917 25.318 1.00 29.41 N +ANISOU 2044 N GLU A 963 3688 3525 3961 -185 192 -337 N +ATOM 2045 CA GLU A 963 18.754 217.266 24.293 1.00 29.80 C +ANISOU 2045 CA GLU A 963 3719 3545 4057 -208 206 -274 C +ATOM 2046 C GLU A 963 18.596 216.488 23.002 1.00 28.19 C +ANISOU 2046 C GLU A 963 3537 3339 3831 -121 189 -142 C +ATOM 2047 O GLU A 963 18.742 217.038 21.901 1.00 27.93 O +ANISOU 2047 O GLU A 963 3515 3235 3861 -114 221 -71 O +ATOM 2048 CB GLU A 963 20.183 217.067 24.838 1.00 30.35 C +ANISOU 2048 CB GLU A 963 3714 3753 4062 -283 177 -316 C +ATOM 2049 CG GLU A 963 20.430 217.944 26.070 1.00 34.95 C +ANISOU 2049 CG GLU A 963 4265 4361 4652 -400 195 -471 C +ATOM 2050 CD GLU A 963 21.718 217.610 26.811 1.00 37.52 C +ANISOU 2050 CD GLU A 963 4493 4887 4877 -474 148 -515 C +ATOM 2051 OE1 GLU A 963 22.242 216.503 26.676 1.00 36.07 O +ANISOU 2051 OE1 GLU A 963 4268 4831 4604 -404 97 -423 O +ATOM 2052 OE2 GLU A 963 22.198 218.478 27.511 1.00 38.86 O +ANISOU 2052 OE2 GLU A 963 4622 5083 5058 -602 168 -644 O +ATOM 2053 N LEU A 964 18.304 215.207 23.130 1.00 28.62 N +ANISOU 2053 N LEU A 964 3602 3476 3796 -60 146 -112 N +ATOM 2054 CA LEU A 964 18.081 214.351 21.989 1.00 27.76 C +ANISOU 2054 CA LEU A 964 3521 3371 3655 8 136 -19 C +ATOM 2055 C LEU A 964 16.875 214.812 21.159 1.00 30.11 C +ANISOU 2055 C LEU A 964 3855 3584 4001 43 154 25 C +ATOM 2056 O LEU A 964 16.929 214.781 19.909 1.00 28.24 O +ANISOU 2056 O LEU A 964 3627 3341 3762 71 162 104 O +ATOM 2057 CB LEU A 964 17.963 212.882 22.425 1.00 26.62 C +ANISOU 2057 CB LEU A 964 3390 3303 3420 54 104 -10 C +ATOM 2058 CG LEU A 964 19.254 212.323 23.038 1.00 29.38 C +ANISOU 2058 CG LEU A 964 3689 3756 3716 51 88 -11 C +ATOM 2059 CD1 LEU A 964 18.927 211.087 23.849 1.00 30.02 C +ANISOU 2059 CD1 LEU A 964 3787 3890 3726 98 68 0 C +ATOM 2060 CD2 LEU A 964 20.311 212.023 21.985 1.00 28.62 C +ANISOU 2060 CD2 LEU A 964 3571 3687 3616 78 103 49 C +ATOM 2061 N ILE A 965 15.827 215.292 21.831 1.00 26.62 N +ANISOU 2061 N ILE A 965 3424 3093 3595 46 164 -18 N +ATOM 2062 CA ILE A 965 14.692 215.884 21.148 1.00 26.08 C +ANISOU 2062 CA ILE A 965 3369 2958 3582 91 184 34 C +ATOM 2063 C ILE A 965 15.163 217.075 20.299 1.00 28.52 C +ANISOU 2063 C ILE A 965 3673 3180 3982 85 231 97 C +ATOM 2064 O ILE A 965 14.773 217.200 19.128 1.00 26.05 O +ANISOU 2064 O ILE A 965 3360 2865 3671 132 234 203 O +ATOM 2065 CB ILE A 965 13.585 216.379 22.127 1.00 27.08 C +ANISOU 2065 CB ILE A 965 3495 3042 3752 102 205 -31 C +ATOM 2066 CG1 ILE A 965 13.012 215.197 22.898 1.00 25.74 C +ANISOU 2066 CG1 ILE A 965 3328 2961 3490 105 167 -71 C +ATOM 2067 CG2 ILE A 965 12.493 217.139 21.382 1.00 27.77 C +ANISOU 2067 CG2 ILE A 965 3576 3062 3911 167 235 44 C +ATOM 2068 CD1 ILE A 965 12.223 215.613 24.127 1.00 27.52 C +ANISOU 2068 CD1 ILE A 965 3546 3175 3736 98 193 -159 C +ATOM 2069 N ILE A 966 15.989 217.943 20.882 1.00 27.59 N +ANISOU 2069 N ILE A 966 3548 3001 3934 18 269 34 N +ATOM 2070 CA ILE A 966 16.464 219.166 20.196 1.00 28.24 C +ANISOU 2070 CA ILE A 966 3632 2969 4125 -5 333 90 C +ATOM 2071 C ILE A 966 17.321 218.764 19.007 1.00 29.50 C +ANISOU 2071 C ILE A 966 3777 3195 4234 -3 319 191 C +ATOM 2072 O ILE A 966 17.091 219.212 17.873 1.00 30.05 O +ANISOU 2072 O ILE A 966 3853 3230 4334 37 346 314 O +ATOM 2073 CB ILE A 966 17.212 220.088 21.152 1.00 31.77 C +ANISOU 2073 CB ILE A 966 4074 3342 4653 -108 382 -27 C +ATOM 2074 CG1 ILE A 966 16.204 220.679 22.149 1.00 32.17 C +ANISOU 2074 CG1 ILE A 966 4149 3306 4768 -97 420 -125 C +ATOM 2075 CG2 ILE A 966 17.915 221.221 20.402 1.00 35.99 C +ANISOU 2075 CG2 ILE A 966 4613 3758 5302 -157 456 33 C +ATOM 2076 CD1 ILE A 966 16.869 221.308 23.370 1.00 35.97 C +ANISOU 2076 CD1 ILE A 966 4622 3761 5283 -218 456 -296 C +ATOM 2077 N GLU A 967 18.253 217.844 19.238 1.00 28.06 N +ANISOU 2077 N GLU A 967 3570 3127 3964 -34 279 152 N +ATOM 2078 CA GLU A 967 19.223 217.507 18.194 1.00 30.66 C +ANISOU 2078 CA GLU A 967 3877 3522 4249 -36 282 229 C +ATOM 2079 C GLU A 967 18.556 216.808 17.018 1.00 29.13 C +ANISOU 2079 C GLU A 967 3705 3381 3981 41 262 322 C +ATOM 2080 O GLU A 967 18.830 217.146 15.843 1.00 29.90 O +ANISOU 2080 O GLU A 967 3797 3488 4076 52 290 422 O +ATOM 2081 CB GLU A 967 20.397 216.691 18.781 1.00 36.17 C +ANISOU 2081 CB GLU A 967 4530 4334 4877 -71 253 168 C +ATOM 2082 CG GLU A 967 21.218 217.435 19.843 1.00 45.10 C +ANISOU 2082 CG GLU A 967 5616 5459 6058 -172 267 74 C +ATOM 2083 CD GLU A 967 21.762 218.799 19.360 1.00 53.56 C +ANISOU 2083 CD GLU A 967 6676 6430 7241 -254 337 98 C +ATOM 2084 OE1 GLU A 967 21.560 219.834 20.050 1.00 58.76 O +ANISOU 2084 OE1 GLU A 967 7348 6980 7994 -326 377 19 O +ATOM 2085 OE2 GLU A 967 22.357 218.854 18.261 1.00 57.11 O +ANISOU 2085 OE2 GLU A 967 7109 6898 7689 -249 363 194 O +ATOM 2086 N PHE A 968 17.649 215.853 17.297 1.00 27.70 N +ANISOU 2086 N PHE A 968 3546 3244 3733 86 218 289 N +ATOM 2087 CA PHE A 968 17.002 215.136 16.200 1.00 28.56 C +ANISOU 2087 CA PHE A 968 3670 3421 3759 135 198 350 C +ATOM 2088 C PHE A 968 15.971 216.034 15.501 1.00 28.60 C +ANISOU 2088 C PHE A 968 3671 3391 3803 172 210 443 C +ATOM 2089 O PHE A 968 15.756 215.897 14.278 1.00 28.14 O +ANISOU 2089 O PHE A 968 3605 3408 3679 200 206 530 O +ATOM 2090 CB PHE A 968 16.428 213.790 16.675 1.00 27.10 C +ANISOU 2090 CB PHE A 968 3509 3289 3497 151 158 282 C +ATOM 2091 CG PHE A 968 17.440 212.691 16.767 1.00 27.83 C +ANISOU 2091 CG PHE A 968 3608 3434 3531 150 158 244 C +ATOM 2092 CD1 PHE A 968 17.960 212.129 15.612 1.00 31.33 C +ANISOU 2092 CD1 PHE A 968 4057 3936 3910 166 176 277 C +ATOM 2093 CD2 PHE A 968 17.882 212.193 17.987 1.00 27.57 C +ANISOU 2093 CD2 PHE A 968 3571 3403 3501 143 147 183 C +ATOM 2094 CE1 PHE A 968 18.918 211.117 15.674 1.00 29.81 C +ANISOU 2094 CE1 PHE A 968 3868 3779 3677 185 193 246 C +ATOM 2095 CE2 PHE A 968 18.818 211.190 18.051 1.00 26.19 C +ANISOU 2095 CE2 PHE A 968 3393 3275 3281 167 155 174 C +ATOM 2096 CZ PHE A 968 19.319 210.624 16.905 1.00 27.50 C +ANISOU 2096 CZ PHE A 968 3569 3476 3401 193 182 203 C +ATOM 2097 N SER A 969 15.347 216.966 16.243 1.00 28.72 N +ANISOU 2097 N SER A 969 3685 3306 3919 180 231 431 N +ATOM 2098 CA SER A 969 14.445 217.937 15.632 1.00 30.87 C +ANISOU 2098 CA SER A 969 3946 3531 4253 237 257 541 C +ATOM 2099 C SER A 969 15.149 218.777 14.613 1.00 30.81 C +ANISOU 2099 C SER A 969 3931 3490 4283 237 306 665 C +ATOM 2100 O SER A 969 14.584 219.091 13.572 1.00 30.71 O +ANISOU 2100 O SER A 969 3900 3523 4246 296 309 801 O +ATOM 2101 CB SER A 969 13.805 218.907 16.668 1.00 31.98 C +ANISOU 2101 CB SER A 969 4093 3535 4523 253 299 497 C +ATOM 2102 OG SER A 969 12.993 218.078 17.448 1.00 40.66 O +ANISOU 2102 OG SER A 969 5189 4695 5566 261 253 408 O +ATOM 2103 N LYS A 970 16.349 219.227 14.959 1.00 31.47 N +ANISOU 2103 N LYS A 970 4023 3503 4431 167 348 625 N +ATOM 2104 CA LYS A 970 17.161 219.999 14.041 1.00 33.72 C +ANISOU 2104 CA LYS A 970 4300 3755 4756 146 405 739 C +ATOM 2105 C LYS A 970 17.522 219.216 12.785 1.00 31.34 C +ANISOU 2105 C LYS A 970 3979 3614 4313 164 378 818 C +ATOM 2106 O LYS A 970 17.416 219.752 11.670 1.00 31.13 O +ANISOU 2106 O LYS A 970 3942 3612 4275 198 407 971 O +ATOM 2107 CB LYS A 970 18.396 220.578 14.731 1.00 38.15 C +ANISOU 2107 CB LYS A 970 4859 4227 5409 43 454 660 C +ATOM 2108 CG LYS A 970 17.960 221.526 15.861 1.00 45.58 C +ANISOU 2108 CG LYS A 970 5824 4999 6492 17 500 575 C +ATOM 2109 CD LYS A 970 18.991 222.557 16.311 1.00 50.39 C +ANISOU 2109 CD LYS A 970 6435 5480 7227 -98 578 521 C +ATOM 2110 CE LYS A 970 20.119 221.968 17.144 1.00 51.35 C +ANISOU 2110 CE LYS A 970 6519 5703 7289 -203 540 375 C +ATOM 2111 NZ LYS A 970 20.694 223.045 18.010 1.00 51.49 N +ANISOU 2111 NZ LYS A 970 6538 5590 7435 -329 610 261 N +ATOM 2112 N MET A 971 17.878 217.962 12.949 1.00 27.93 N +ANISOU 2112 N MET A 971 3547 3292 3773 148 329 721 N +ATOM 2113 CA MET A 971 18.240 217.128 11.815 1.00 28.64 C +ANISOU 2113 CA MET A 971 3626 3527 3726 161 317 761 C +ATOM 2114 C MET A 971 17.029 216.845 10.938 1.00 31.09 C +ANISOU 2114 C MET A 971 3934 3936 3941 218 280 831 C +ATOM 2115 O MET A 971 17.151 216.808 9.692 1.00 32.36 O +ANISOU 2115 O MET A 971 4076 4210 4006 231 291 926 O +ATOM 2116 CB MET A 971 18.890 215.859 12.265 1.00 28.70 C +ANISOU 2116 CB MET A 971 3640 3599 3664 142 291 637 C +ATOM 2117 CG MET A 971 20.242 216.097 12.932 1.00 30.71 C +ANISOU 2117 CG MET A 971 3868 3817 3982 88 322 590 C +ATOM 2118 SD MET A 971 20.928 214.542 13.469 1.00 33.94 S +ANISOU 2118 SD MET A 971 4274 4310 4310 103 296 478 S +ATOM 2119 CE MET A 971 22.538 215.072 14.003 1.00 39.87 C +ANISOU 2119 CE MET A 971 4956 5068 5123 42 330 464 C +ATOM 2120 N ALA A 972 15.855 216.722 11.542 1.00 30.66 N +ANISOU 2120 N ALA A 972 3884 3859 3904 247 241 793 N +ATOM 2121 CA ALA A 972 14.634 216.477 10.751 1.00 33.41 C +ANISOU 2121 CA ALA A 972 4208 4330 4157 292 199 858 C +ATOM 2122 C ALA A 972 14.243 217.599 9.846 1.00 36.92 C +ANISOU 2122 C ALA A 972 4614 4791 4621 349 225 1046 C +ATOM 2123 O ALA A 972 13.423 217.389 8.955 1.00 38.89 O +ANISOU 2123 O ALA A 972 4823 5195 4756 384 187 1123 O +ATOM 2124 CB ALA A 972 13.457 216.129 11.644 1.00 34.79 C +ANISOU 2124 CB ALA A 972 4379 4486 4351 307 157 781 C +ATOM 2125 N ARG A 973 14.740 218.810 10.102 1.00 35.92 N +ANISOU 2125 N ARG A 973 4497 4509 4641 357 291 1123 N +ATOM 2126 CA ARG A 973 14.496 219.920 9.229 1.00 40.46 C +ANISOU 2126 CA ARG A 973 5044 5072 5254 419 336 1329 C +ATOM 2127 C ARG A 973 15.357 219.906 7.968 1.00 36.79 C +ANISOU 2127 C ARG A 973 4566 4724 4686 397 361 1437 C +ATOM 2128 O ARG A 973 15.043 220.632 7.033 1.00 34.75 O +ANISOU 2128 O ARG A 973 4276 4517 4410 456 386 1634 O +ATOM 2129 CB ARG A 973 14.623 221.247 9.996 1.00 47.26 C +ANISOU 2129 CB ARG A 973 5933 5690 6332 432 417 1366 C +ATOM 2130 CG ARG A 973 13.531 221.332 11.088 1.00 54.71 C +ANISOU 2130 CG ARG A 973 6878 6550 7358 476 400 1280 C +ATOM 2131 CD ARG A 973 13.301 222.726 11.660 1.00 62.30 C +ANISOU 2131 CD ARG A 973 7863 7278 8530 520 494 1335 C +ATOM 2132 NE ARG A 973 14.546 223.317 12.153 1.00 70.57 N +ANISOU 2132 NE ARG A 973 8958 8158 9696 420 568 1265 N +ATOM 2133 CZ ARG A 973 15.050 223.175 13.390 1.00 76.24 C +ANISOU 2133 CZ ARG A 973 9707 8788 10472 331 574 1066 C +ATOM 2134 NH1 ARG A 973 16.219 223.772 13.676 1.00 74.58 N +ANISOU 2134 NH1 ARG A 973 9521 8458 10355 227 640 1018 N +ATOM 2135 NH2 ARG A 973 14.418 222.452 14.343 1.00 76.37 N +ANISOU 2135 NH2 ARG A 973 9721 8851 10444 335 514 919 N +ATOM 2136 N ASP A 974 16.415 219.093 7.928 1.00 31.97 N +ANISOU 2136 N ASP A 974 3973 4167 4005 324 359 1324 N +ATOM 2137 CA ASP A 974 17.289 218.976 6.718 1.00 32.32 C +ANISOU 2137 CA ASP A 974 3999 4345 3935 301 391 1408 C +ATOM 2138 C ASP A 974 17.726 217.494 6.645 1.00 30.52 C +ANISOU 2138 C ASP A 974 3783 4245 3566 259 354 1237 C +ATOM 2139 O ASP A 974 18.912 217.152 6.809 1.00 28.98 O +ANISOU 2139 O ASP A 974 3596 4033 3380 212 389 1163 O +ATOM 2140 CB ASP A 974 18.499 219.951 6.776 1.00 33.82 C +ANISOU 2140 CB ASP A 974 4196 4401 4254 253 482 1478 C +ATOM 2141 CG ASP A 974 19.297 220.012 5.471 1.00 36.41 C +ANISOU 2141 CG ASP A 974 4495 4870 4469 237 528 1601 C +ATOM 2142 OD1 ASP A 974 18.880 219.354 4.494 1.00 40.50 O +ANISOU 2142 OD1 ASP A 974 4991 5595 4802 267 490 1633 O +ATOM 2143 OD2 ASP A 974 20.363 220.701 5.398 1.00 37.74 O +ANISOU 2143 OD2 ASP A 974 4657 4958 4722 182 607 1659 O +ATOM 2144 N PRO A 975 16.745 216.605 6.461 1.00 29.13 N +ANISOU 2144 N PRO A 975 3605 4190 3272 275 288 1170 N +ATOM 2145 CA PRO A 975 16.971 215.220 6.688 1.00 28.63 C +ANISOU 2145 CA PRO A 975 3571 4180 3125 237 264 989 C +ATOM 2146 C PRO A 975 18.064 214.596 5.823 1.00 28.50 C +ANISOU 2146 C PRO A 975 3558 4273 2996 210 309 957 C +ATOM 2147 O PRO A 975 18.801 213.770 6.341 1.00 29.39 O +ANISOU 2147 O PRO A 975 3698 4341 3124 191 327 826 O +ATOM 2148 CB PRO A 975 15.604 214.574 6.456 1.00 30.28 C +ANISOU 2148 CB PRO A 975 3770 4507 3228 244 197 948 C +ATOM 2149 CG PRO A 975 14.794 215.543 5.697 1.00 32.87 C +ANISOU 2149 CG PRO A 975 4040 4925 3524 294 180 1134 C +ATOM 2150 CD PRO A 975 15.349 216.898 6.044 1.00 33.33 C +ANISOU 2150 CD PRO A 975 4098 4813 3751 328 239 1269 C +ATOM 2151 N GLN A 976 18.196 215.010 4.562 1.00 28.47 N +ANISOU 2151 N GLN A 976 3519 4413 2883 216 334 1086 N +ATOM 2152 CA GLN A 976 19.152 214.417 3.669 1.00 31.21 C +ANISOU 2152 CA GLN A 976 3865 4888 3106 193 385 1051 C +ATOM 2153 C GLN A 976 20.575 214.951 3.923 1.00 33.83 C +ANISOU 2153 C GLN A 976 4183 5125 3544 179 458 1089 C +ATOM 2154 O GLN A 976 21.524 214.429 3.359 1.00 33.19 O +ANISOU 2154 O GLN A 976 4092 5132 3383 166 511 1047 O +ATOM 2155 CB GLN A 976 18.730 214.622 2.201 1.00 32.72 C +ANISOU 2155 CB GLN A 976 4015 5306 3110 198 383 1172 C +ATOM 2156 CG GLN A 976 17.369 213.983 1.895 1.00 33.87 C +ANISOU 2156 CG GLN A 976 4153 5592 3124 191 306 1112 C +ATOM 2157 CD GLN A 976 17.123 213.737 0.395 1.00 36.56 C +ANISOU 2157 CD GLN A 976 4452 6220 3219 171 303 1158 C +ATOM 2158 OE1 GLN A 976 18.007 213.384 -0.364 1.00 38.69 O +ANISOU 2158 OE1 GLN A 976 4726 6592 3382 148 364 1126 O +ATOM 2159 NE2 GLN A 976 15.903 213.917 -0.018 1.00 38.28 N +ANISOU 2159 NE2 GLN A 976 4618 6586 3338 181 232 1231 N +ATOM 2160 N ARG A 977 20.713 215.977 4.770 1.00 32.51 N +ANISOU 2160 N ARG A 977 4011 4786 3555 175 467 1157 N +ATOM 2161 CA ARG A 977 22.031 216.355 5.265 1.00 32.93 C +ANISOU 2161 CA ARG A 977 4046 4748 3719 137 526 1148 C +ATOM 2162 C ARG A 977 22.545 215.344 6.287 1.00 30.35 C +ANISOU 2162 C ARG A 977 3733 4372 3426 131 508 967 C +ATOM 2163 O ARG A 977 23.757 215.238 6.487 1.00 30.10 O +ANISOU 2163 O ARG A 977 3667 4343 3426 108 553 936 O +ATOM 2164 CB ARG A 977 22.030 217.741 5.893 1.00 34.43 C +ANISOU 2164 CB ARG A 977 4229 4763 4088 113 549 1248 C +ATOM 2165 CG ARG A 977 23.401 218.169 6.431 1.00 36.72 C +ANISOU 2165 CG ARG A 977 4487 4976 4489 43 609 1223 C +ATOM 2166 CD ARG A 977 23.328 219.532 7.110 1.00 38.34 C +ANISOU 2166 CD ARG A 977 4698 4986 4880 -1 642 1288 C +ATOM 2167 NE ARG A 977 24.643 219.987 7.549 1.00 38.92 N +ANISOU 2167 NE ARG A 977 4729 5009 5048 -95 700 1258 N +ATOM 2168 CZ ARG A 977 24.856 221.163 8.139 1.00 40.55 C +ANISOU 2168 CZ ARG A 977 4939 5045 5423 -170 750 1284 C +ATOM 2169 NH1 ARG A 977 23.824 221.987 8.414 1.00 37.14 N +ANISOU 2169 NH1 ARG A 977 4559 4455 5097 -141 755 1340 N +ATOM 2170 NH2 ARG A 977 26.087 221.486 8.498 1.00 40.05 N +ANISOU 2170 NH2 ARG A 977 4821 4969 5426 -275 798 1241 N +ATOM 2171 N TYR A 978 21.647 214.620 6.941 1.00 26.69 N +ANISOU 2171 N TYR A 978 3311 3873 2957 154 447 861 N +ATOM 2172 CA TYR A 978 22.037 213.765 8.066 1.00 26.86 C +ANISOU 2172 CA TYR A 978 3348 3828 3029 158 431 720 C +ATOM 2173 C TYR A 978 21.962 212.252 7.824 1.00 26.75 C +ANISOU 2173 C TYR A 978 3371 3884 2908 188 430 598 C +ATOM 2174 O TYR A 978 22.698 211.500 8.469 1.00 26.80 O +ANISOU 2174 O TYR A 978 3378 3860 2945 208 448 515 O +ATOM 2175 CB TYR A 978 21.234 214.184 9.312 1.00 26.52 C +ANISOU 2175 CB TYR A 978 3325 3651 3100 152 379 691 C +ATOM 2176 CG TYR A 978 21.580 215.583 9.692 1.00 26.23 C +ANISOU 2176 CG TYR A 978 3258 3514 3191 113 405 772 C +ATOM 2177 CD1 TYR A 978 22.832 215.867 10.260 1.00 28.16 C +ANISOU 2177 CD1 TYR A 978 3461 3729 3507 66 439 745 C +ATOM 2178 CD2 TYR A 978 20.749 216.624 9.417 1.00 27.45 C +ANISOU 2178 CD2 TYR A 978 3420 3612 3396 121 406 880 C +ATOM 2179 CE1 TYR A 978 23.187 217.176 10.573 1.00 29.21 C +ANISOU 2179 CE1 TYR A 978 3572 3762 3764 4 476 802 C +ATOM 2180 CE2 TYR A 978 21.101 217.946 9.736 1.00 29.15 C +ANISOU 2180 CE2 TYR A 978 3622 3701 3750 80 454 951 C +ATOM 2181 CZ TYR A 978 22.321 218.186 10.352 1.00 30.53 C +ANISOU 2181 CZ TYR A 978 3766 3834 3998 10 488 895 C +ATOM 2182 OH TYR A 978 22.717 219.463 10.667 1.00 30.74 O +ANISOU 2182 OH TYR A 978 3782 3731 4165 -56 545 941 O +ATOM 2183 N LEU A 979 21.124 211.838 6.862 1.00 27.46 N +ANISOU 2183 N LEU A 979 3486 4072 2873 189 418 592 N +ATOM 2184 CA LEU A 979 21.029 210.443 6.443 1.00 27.75 C +ANISOU 2184 CA LEU A 979 3568 4172 2804 197 437 462 C +ATOM 2185 C LEU A 979 21.028 210.386 4.943 1.00 28.62 C +ANISOU 2185 C LEU A 979 3666 4454 2753 182 471 490 C +ATOM 2186 O LEU A 979 20.301 211.136 4.296 1.00 29.40 O +ANISOU 2186 O LEU A 979 3739 4640 2791 165 436 595 O +ATOM 2187 CB LEU A 979 19.751 209.828 7.027 1.00 29.10 C +ANISOU 2187 CB LEU A 979 3787 4291 2977 183 378 378 C +ATOM 2188 CG LEU A 979 19.533 209.777 8.552 1.00 27.92 C +ANISOU 2188 CG LEU A 979 3655 3991 2962 194 342 343 C +ATOM 2189 CD1 LEU A 979 18.151 209.220 8.876 1.00 29.43 C +ANISOU 2189 CD1 LEU A 979 3884 4167 3130 168 292 276 C +ATOM 2190 CD2 LEU A 979 20.584 208.917 9.207 1.00 27.91 C +ANISOU 2190 CD2 LEU A 979 3670 3926 3008 231 388 271 C +ATOM 2191 N VAL A 980 21.873 209.532 4.375 1.00 28.93 N +ANISOU 2191 N VAL A 980 3717 4554 2719 196 544 406 N +ATOM 2192 CA VAL A 980 22.059 209.422 2.950 1.00 30.32 C +ANISOU 2192 CA VAL A 980 3879 4912 2727 179 592 414 C +ATOM 2193 C VAL A 980 21.494 208.047 2.517 1.00 32.53 C +ANISOU 2193 C VAL A 980 4226 5241 2891 155 611 229 C +ATOM 2194 O VAL A 980 22.160 207.003 2.678 1.00 30.35 O +ANISOU 2194 O VAL A 980 3992 4902 2634 186 685 99 O +ATOM 2195 CB VAL A 980 23.578 209.495 2.678 1.00 31.50 C +ANISOU 2195 CB VAL A 980 3985 5089 2891 212 684 441 C +ATOM 2196 CG1 VAL A 980 23.840 209.468 1.197 1.00 34.34 C +ANISOU 2196 CG1 VAL A 980 4324 5654 3069 194 744 459 C +ATOM 2197 CG2 VAL A 980 24.146 210.752 3.331 1.00 31.24 C +ANISOU 2197 CG2 VAL A 980 3892 4977 3001 211 669 589 C +ATOM 2198 N ILE A 981 20.260 208.059 2.035 1.00 31.31 N +ANISOU 2198 N ILE A 981 4077 5187 2629 100 549 219 N +ATOM 2199 CA ILE A 981 19.453 206.845 1.871 1.00 33.97 C +ANISOU 2199 CA ILE A 981 4477 5543 2884 44 548 33 C +ATOM 2200 C ILE A 981 19.009 206.718 0.411 1.00 39.18 C +ANISOU 2200 C ILE A 981 5117 6458 3312 -21 553 -1 C +ATOM 2201 O ILE A 981 18.469 207.645 -0.158 1.00 39.69 O +ANISOU 2201 O ILE A 981 5113 6680 3289 -34 492 144 O +ATOM 2202 CB ILE A 981 18.182 206.873 2.708 1.00 35.44 C +ANISOU 2202 CB ILE A 981 4675 5653 3137 12 456 27 C +ATOM 2203 CG1 ILE A 981 18.478 207.040 4.178 1.00 32.94 C +ANISOU 2203 CG1 ILE A 981 4373 5114 3025 67 442 61 C +ATOM 2204 CG2 ILE A 981 17.370 205.566 2.526 1.00 38.26 C +ANISOU 2204 CG2 ILE A 981 5097 6026 3414 -69 466 -176 C +ATOM 2205 CD1 ILE A 981 17.220 207.141 5.009 1.00 33.71 C +ANISOU 2205 CD1 ILE A 981 4473 5149 3183 39 359 63 C +ATOM 2206 N GLN A 982 19.220 205.544 -0.158 1.00 40.67 N +ANISOU 2206 N GLN A 982 5364 6686 3401 -60 632 -198 N +ATOM 2207 CA GLN A 982 18.818 205.227 -1.524 1.00 45.16 C +ANISOU 2207 CA GLN A 982 5920 7510 3727 -144 648 -284 C +ATOM 2208 C GLN A 982 17.328 205.382 -1.668 1.00 45.40 C +ANISOU 2208 C GLN A 982 5914 7673 3662 -230 535 -278 C +ATOM 2209 O GLN A 982 16.601 204.933 -0.815 1.00 46.35 O +ANISOU 2209 O GLN A 982 6071 7654 3884 -259 495 -352 O +ATOM 2210 CB GLN A 982 19.187 203.772 -1.831 1.00 50.49 C +ANISOU 2210 CB GLN A 982 6690 8136 4358 -181 765 -547 C +ATOM 2211 CG GLN A 982 18.915 203.332 -3.269 1.00 56.35 C +ANISOU 2211 CG GLN A 982 7427 9150 4834 -282 803 -685 C +ATOM 2212 CD GLN A 982 19.208 201.859 -3.432 1.00 59.86 C +ANISOU 2212 CD GLN A 982 7983 9489 5270 -323 934 -971 C +ATOM 2213 OE1 GLN A 982 18.604 201.010 -2.766 1.00 68.51 O +ANISOU 2213 OE1 GLN A 982 9157 10410 6463 -373 939 -1114 O +ATOM 2214 NE2 GLN A 982 20.149 201.550 -4.274 1.00 62.28 N +ANISOU 2214 NE2 GLN A 982 8302 9883 5478 -298 1054 -1051 N +ATOM 2215 N GLY A 983 16.892 206.073 -2.717 1.00 48.55 N +ANISOU 2215 N GLY A 983 6228 8351 3867 -262 484 -166 N +ATOM 2216 CA GLY A 983 15.476 206.229 -3.018 1.00 52.99 C +ANISOU 2216 CA GLY A 983 6727 9104 4302 -339 374 -147 C +ATOM 2217 C GLY A 983 14.697 207.079 -2.033 1.00 55.97 C +ANISOU 2217 C GLY A 983 7056 9368 4839 -285 274 24 C +ATOM 2218 O GLY A 983 13.480 206.930 -1.926 1.00 64.99 O +ANISOU 2218 O GLY A 983 8159 10600 5932 -348 192 -7 O +ATOM 2219 N ASP A 984 15.390 207.938 -1.277 1.00 53.69 N +ANISOU 2219 N ASP A 984 6769 8884 4744 -177 287 188 N +ATOM 2220 CA ASP A 984 14.760 208.813 -0.273 1.00 45.75 C +ANISOU 2220 CA ASP A 984 5728 7744 3910 -118 212 340 C +ATOM 2221 C ASP A 984 13.801 209.755 -0.982 1.00 45.48 C +ANISOU 2221 C ASP A 984 5582 7944 3751 -105 129 532 C +ATOM 2222 O ASP A 984 14.136 210.200 -2.101 1.00 43.19 O +ANISOU 2222 O ASP A 984 5243 7863 3303 -96 146 643 O +ATOM 2223 CB ASP A 984 15.834 209.674 0.389 1.00 42.47 C +ANISOU 2223 CB ASP A 984 5325 7125 3684 -23 257 479 C +ATOM 2224 CG ASP A 984 15.495 210.054 1.825 1.00 38.82 C +ANISOU 2224 CG ASP A 984 4879 6426 3443 18 219 511 C +ATOM 2225 OD1 ASP A 984 14.388 209.742 2.276 1.00 37.19 O +ANISOU 2225 OD1 ASP A 984 4666 6219 3244 -12 157 455 O +ATOM 2226 OD2 ASP A 984 16.363 210.637 2.502 1.00 35.63 O +ANISOU 2226 OD2 ASP A 984 4489 5850 3197 73 255 582 O +ATOM 2227 N MET A1007 -18.878 200.796 11.286 1.00 87.50 N +ANISOU 2227 N MET A1007 7691 16626 8928 -2820 -803 -781 N +ATOM 2228 CA MET A1007 -17.739 201.703 11.363 1.00 86.02 C +ANISOU 2228 CA MET A1007 7691 16150 8840 -2490 -792 -625 C +ATOM 2229 C MET A1007 -18.081 203.180 11.623 1.00 81.93 C +ANISOU 2229 C MET A1007 6995 15760 8374 -2119 -838 -340 C +ATOM 2230 O MET A1007 -17.186 203.958 11.952 1.00 78.77 O +ANISOU 2230 O MET A1007 6760 15068 8100 -1849 -802 -214 O +ATOM 2231 CB MET A1007 -16.884 201.590 10.100 1.00 88.50 C +ANISOU 2231 CB MET A1007 8113 16497 9014 -2526 -854 -690 C +ATOM 2232 CG MET A1007 -15.771 200.562 10.207 1.00 90.23 C +ANISOU 2232 CG MET A1007 8671 16301 9309 -2687 -751 -898 C +ATOM 2233 SD MET A1007 -14.217 201.160 9.508 1.00 97.74 S +ANISOU 2233 SD MET A1007 9848 17030 10259 -2456 -765 -822 S +ATOM 2234 CE MET A1007 -13.383 201.883 10.925 1.00 89.22 C +ANISOU 2234 CE MET A1007 8970 15475 9454 -2144 -665 -658 C +ATOM 2235 N ASP A1008 -19.354 203.563 11.466 1.00 83.81 N +ANISOU 2235 N ASP A1008 6895 16426 8520 -2106 -908 -242 N +ATOM 2236 CA ASP A1008 -19.843 204.916 11.834 1.00 82.70 C +ANISOU 2236 CA ASP A1008 6565 16400 8453 -1752 -925 26 C +ATOM 2237 C ASP A1008 -19.352 205.378 13.200 1.00 76.78 C +ANISOU 2237 C ASP A1008 6006 15216 7948 -1543 -797 87 C +ATOM 2238 O ASP A1008 -18.826 206.488 13.351 1.00 74.31 O +ANISOU 2238 O ASP A1008 5753 14742 7738 -1225 -781 263 O +ATOM 2239 CB ASP A1008 -21.385 204.956 11.882 1.00 84.31 C +ANISOU 2239 CB ASP A1008 6394 17069 8570 -1818 -975 79 C +ATOM 2240 CG ASP A1008 -22.011 205.459 10.595 1.00 88.61 C +ANISOU 2240 CG ASP A1008 6634 18139 8895 -1768 -1127 211 C +ATOM 2241 OD1 ASP A1008 -21.267 205.812 9.660 1.00 87.73 O +ANISOU 2241 OD1 ASP A1008 6604 18032 8695 -1675 -1191 271 O +ATOM 2242 OD2 ASP A1008 -23.263 205.508 10.532 1.00 93.62 O +ANISOU 2242 OD2 ASP A1008 6932 19201 9437 -1817 -1181 265 O +ATOM 2243 N ASP A1009 -19.565 204.509 14.186 1.00 73.25 N +ANISOU 2243 N ASP A1009 5646 14599 7587 -1738 -701 -60 N +ATOM 2244 CA ASP A1009 -19.335 204.817 15.583 1.00 69.22 C +ANISOU 2244 CA ASP A1009 5268 13756 7275 -1586 -579 -20 C +ATOM 2245 C ASP A1009 -17.971 204.381 16.056 1.00 63.13 C +ANISOU 2245 C ASP A1009 4863 12507 6613 -1605 -498 -117 C +ATOM 2246 O ASP A1009 -17.736 204.381 17.263 1.00 62.73 O +ANISOU 2246 O ASP A1009 4944 12185 6706 -1544 -393 -121 O +ATOM 2247 CB ASP A1009 -20.419 204.147 16.422 1.00 72.07 C +ANISOU 2247 CB ASP A1009 5487 14244 7653 -1779 -517 -98 C +ATOM 2248 CG ASP A1009 -21.794 204.594 16.014 1.00 77.46 C +ANISOU 2248 CG ASP A1009 5779 15422 8228 -1751 -593 5 C +ATOM 2249 OD1 ASP A1009 -21.865 205.509 15.175 1.00 82.41 O +ANISOU 2249 OD1 ASP A1009 6261 16265 8785 -1540 -687 163 O +ATOM 2250 OD2 ASP A1009 -22.800 204.048 16.500 1.00 82.35 O +ANISOU 2250 OD2 ASP A1009 6227 16231 8830 -1932 -560 -55 O +ATOM 2251 N VAL A1010 -17.064 204.026 15.138 1.00 58.70 N +ANISOU 2251 N VAL A1010 4462 11857 5982 -1680 -543 -190 N +ATOM 2252 CA VAL A1010 -15.680 203.697 15.549 1.00 57.69 C +ANISOU 2252 CA VAL A1010 4673 11283 5964 -1661 -467 -260 C +ATOM 2253 C VAL A1010 -14.950 204.954 16.038 1.00 55.31 C +ANISOU 2253 C VAL A1010 4462 10762 5791 -1319 -442 -95 C +ATOM 2254 O VAL A1010 -14.942 205.982 15.370 1.00 58.58 O +ANISOU 2254 O VAL A1010 4769 11315 6173 -1115 -508 52 O +ATOM 2255 CB VAL A1010 -14.836 203.042 14.435 1.00 57.05 C +ANISOU 2255 CB VAL A1010 4740 11154 5780 -1808 -509 -382 C +ATOM 2256 CG1 VAL A1010 -13.386 202.897 14.871 1.00 56.39 C +ANISOU 2256 CG1 VAL A1010 4975 10630 5819 -1727 -432 -413 C +ATOM 2257 CG2 VAL A1010 -15.407 201.674 14.080 1.00 61.85 C +ANISOU 2257 CG2 VAL A1010 5318 11893 6289 -2177 -501 -591 C +ATOM 2258 N VAL A1011 -14.323 204.866 17.198 1.00 49.83 N +ANISOU 2258 N VAL A1011 3964 9728 5240 -1266 -341 -119 N +ATOM 2259 CA VAL A1011 -13.595 205.990 17.732 1.00 48.44 C +ANISOU 2259 CA VAL A1011 3885 9333 5186 -980 -306 1 C +ATOM 2260 C VAL A1011 -12.238 205.443 18.143 1.00 44.93 C +ANISOU 2260 C VAL A1011 3741 8518 4813 -1020 -247 -86 C +ATOM 2261 O VAL A1011 -12.168 204.450 18.857 1.00 45.74 O +ANISOU 2261 O VAL A1011 3954 8480 4946 -1187 -178 -193 O +ATOM 2262 CB VAL A1011 -14.328 206.609 18.944 1.00 48.52 C +ANISOU 2262 CB VAL A1011 3789 9346 5297 -844 -234 71 C +ATOM 2263 CG1 VAL A1011 -13.601 207.844 19.447 1.00 48.62 C +ANISOU 2263 CG1 VAL A1011 3898 9138 5436 -557 -191 176 C +ATOM 2264 CG2 VAL A1011 -15.762 206.963 18.591 1.00 52.96 C +ANISOU 2264 CG2 VAL A1011 4034 10299 5789 -826 -283 150 C +ATOM 2265 N ASP A1012 -11.183 206.088 17.691 1.00 43.39 N +ANISOU 2265 N ASP A1012 3665 8175 4643 -866 -269 -28 N +ATOM 2266 CA ASP A1012 -9.850 205.820 18.176 1.00 41.43 C +ANISOU 2266 CA ASP A1012 3676 7588 4475 -848 -212 -79 C +ATOM 2267 C ASP A1012 -9.745 206.231 19.642 1.00 40.68 C +ANISOU 2267 C ASP A1012 3641 7307 4506 -734 -126 -52 C +ATOM 2268 O ASP A1012 -10.374 207.213 20.085 1.00 40.95 O +ANISOU 2268 O ASP A1012 3544 7425 4589 -573 -113 37 O +ATOM 2269 CB ASP A1012 -8.813 206.590 17.384 1.00 42.55 C +ANISOU 2269 CB ASP A1012 3900 7645 4620 -695 -252 -6 C +ATOM 2270 CG ASP A1012 -7.405 206.269 17.823 1.00 45.03 C +ANISOU 2270 CG ASP A1012 4462 7639 5006 -685 -199 -61 C +ATOM 2271 OD1 ASP A1012 -6.882 205.206 17.404 1.00 49.12 O +ANISOU 2271 OD1 ASP A1012 5098 8086 5476 -845 -193 -169 O +ATOM 2272 OD2 ASP A1012 -6.798 207.052 18.612 1.00 45.42 O +ANISOU 2272 OD2 ASP A1012 4588 7505 5162 -522 -156 -4 O +ATOM 2273 N ALA A1013 -8.968 205.473 20.401 1.00 38.24 N +ANISOU 2273 N ALA A1013 3525 6758 4245 -812 -61 -129 N +ATOM 2274 CA ALA A1013 -8.849 205.740 21.826 1.00 38.39 C +ANISOU 2274 CA ALA A1013 3602 6629 4354 -730 19 -115 C +ATOM 2275 C ALA A1013 -8.241 207.130 22.107 1.00 37.52 C +ANISOU 2275 C ALA A1013 3517 6414 4323 -486 25 -33 C +ATOM 2276 O ALA A1013 -8.552 207.706 23.106 1.00 38.35 O +ANISOU 2276 O ALA A1013 3587 6496 4486 -391 81 -12 O +ATOM 2277 CB ALA A1013 -8.059 204.639 22.528 1.00 36.49 C +ANISOU 2277 CB ALA A1013 3560 6166 4137 -850 82 -189 C +ATOM 2278 N ASP A1014 -7.468 207.702 21.194 1.00 38.93 N +ANISOU 2278 N ASP A1014 3742 6546 4502 -393 -24 11 N +ATOM 2279 CA ASP A1014 -7.031 209.105 21.385 1.00 40.78 C +ANISOU 2279 CA ASP A1014 3981 6687 4823 -173 -9 94 C +ATOM 2280 C ASP A1014 -8.196 210.136 21.343 1.00 41.72 C +ANISOU 2280 C ASP A1014 3895 6983 4971 -30 -6 188 C +ATOM 2281 O ASP A1014 -8.009 211.275 21.790 1.00 45.04 O +ANISOU 2281 O ASP A1014 4321 7301 5490 148 40 240 O +ATOM 2282 CB ASP A1014 -5.904 209.476 20.400 1.00 40.56 C +ANISOU 2282 CB ASP A1014 4051 6564 4793 -114 -53 132 C +ATOM 2283 CG ASP A1014 -4.568 208.786 20.742 1.00 40.41 C +ANISOU 2283 CG ASP A1014 4240 6325 4787 -184 -29 55 C +ATOM 2284 OD1 ASP A1014 -4.394 208.437 21.913 1.00 42.15 O +ANISOU 2284 OD1 ASP A1014 4533 6437 5045 -213 27 2 O +ATOM 2285 OD2 ASP A1014 -3.725 208.536 19.848 1.00 38.95 O +ANISOU 2285 OD2 ASP A1014 4137 6096 4566 -212 -65 51 O +ATOM 2286 N GLU A1015 -9.370 209.757 20.822 1.00 40.07 N +ANISOU 2286 N GLU A1015 3506 7036 4683 -107 -49 207 N +ATOM 2287 CA GLU A1015 -10.557 210.634 20.856 1.00 40.81 C +ANISOU 2287 CA GLU A1015 3380 7322 4801 33 -41 306 C +ATOM 2288 C GLU A1015 -11.628 210.141 21.851 1.00 41.05 C +ANISOU 2288 C GLU A1015 3301 7467 4826 -50 13 250 C +ATOM 2289 O GLU A1015 -12.759 210.624 21.855 1.00 44.12 O +ANISOU 2289 O GLU A1015 3480 8064 5216 32 19 319 O +ATOM 2290 CB GLU A1015 -11.143 210.812 19.452 1.00 44.03 C +ANISOU 2290 CB GLU A1015 3616 7998 5115 48 -137 406 C +ATOM 2291 CG GLU A1015 -10.320 211.776 18.567 1.00 45.33 C +ANISOU 2291 CG GLU A1015 3837 8077 5310 215 -169 522 C +ATOM 2292 CD GLU A1015 -9.049 211.148 18.024 1.00 45.41 C +ANISOU 2292 CD GLU A1015 4045 7934 5272 99 -202 449 C +ATOM 2293 OE1 GLU A1015 -7.935 211.682 18.199 1.00 44.96 O +ANISOU 2293 OE1 GLU A1015 4149 7634 5300 191 -167 461 O +ATOM 2294 OE2 GLU A1015 -9.160 210.083 17.394 1.00 48.32 O +ANISOU 2294 OE2 GLU A1015 4407 8433 5518 -94 -259 371 O +ATOM 2295 N TYR A1016 -11.261 209.172 22.690 1.00 40.45 N +ANISOU 2295 N TYR A1016 3363 7261 4743 -207 59 138 N +ATOM 2296 CA TYR A1016 -12.141 208.619 23.715 1.00 42.97 C +ANISOU 2296 CA TYR A1016 3607 7662 5055 -305 124 86 C +ATOM 2297 C TYR A1016 -11.549 208.982 25.093 1.00 44.56 C +ANISOU 2297 C TYR A1016 3946 7646 5337 -219 221 49 C +ATOM 2298 O TYR A1016 -10.676 208.272 25.647 1.00 40.49 O +ANISOU 2298 O TYR A1016 3616 6951 4817 -316 247 -15 O +ATOM 2299 CB TYR A1016 -12.308 207.098 23.607 1.00 43.48 C +ANISOU 2299 CB TYR A1016 3710 7770 5037 -580 112 -3 C +ATOM 2300 CG TYR A1016 -13.301 206.628 24.603 1.00 45.23 C +ANISOU 2300 CG TYR A1016 3832 8098 5254 -676 185 -32 C +ATOM 2301 CD1 TYR A1016 -14.650 206.777 24.359 1.00 49.42 C +ANISOU 2301 CD1 TYR A1016 4110 8922 5745 -694 169 2 C +ATOM 2302 CD2 TYR A1016 -12.900 206.088 25.827 1.00 46.34 C +ANISOU 2302 CD2 TYR A1016 4117 8066 5423 -737 272 -82 C +ATOM 2303 CE1 TYR A1016 -15.601 206.384 25.294 1.00 50.98 C +ANISOU 2303 CE1 TYR A1016 4198 9234 5937 -781 245 -19 C +ATOM 2304 CE2 TYR A1016 -13.831 205.710 26.791 1.00 46.98 C +ANISOU 2304 CE2 TYR A1016 4100 8256 5494 -819 350 -96 C +ATOM 2305 CZ TYR A1016 -15.170 205.856 26.520 1.00 50.83 C +ANISOU 2305 CZ TYR A1016 4338 9025 5947 -844 339 -70 C +ATOM 2306 OH TYR A1016 -16.102 205.465 27.440 1.00 53.71 O +ANISOU 2306 OH TYR A1016 4596 9512 6300 -934 421 -82 O +ATOM 2307 N LEU A1017 -12.015 210.096 25.650 1.00 44.95 N +ANISOU 2307 N LEU A1017 3902 7720 5457 -31 280 90 N +ATOM 2308 CA LEU A1017 -11.365 210.606 26.843 1.00 45.13 C +ANISOU 2308 CA LEU A1017 4055 7544 5546 58 368 40 C +ATOM 2309 C LEU A1017 -12.143 210.207 28.079 1.00 45.30 C +ANISOU 2309 C LEU A1017 4015 7651 5545 -5 456 -10 C +ATOM 2310 O LEU A1017 -13.342 210.313 28.135 1.00 44.23 O +ANISOU 2310 O LEU A1017 3687 7719 5399 9 480 18 O +ATOM 2311 CB LEU A1017 -11.116 212.102 26.728 1.00 45.80 C +ANISOU 2311 CB LEU A1017 4130 7535 5736 296 398 89 C +ATOM 2312 CG LEU A1017 -9.811 212.193 25.924 1.00 46.39 C +ANISOU 2312 CG LEU A1017 4367 7436 5823 300 332 104 C +ATOM 2313 CD1 LEU A1017 -10.002 213.020 24.673 1.00 50.35 C +ANISOU 2313 CD1 LEU A1017 4770 8002 6356 436 278 224 C +ATOM 2314 CD2 LEU A1017 -8.587 212.608 26.739 1.00 45.24 C +ANISOU 2314 CD2 LEU A1017 4412 7043 5732 342 384 33 C +ATOM 2315 N ILE A1018 -11.406 209.685 29.045 1.00 48.74 N +ANISOU 2315 N ILE A1018 4613 7943 5961 -84 501 -76 N +ATOM 2316 CA ILE A1018 -11.951 209.166 30.285 1.00 57.40 C +ANISOU 2316 CA ILE A1018 5686 9106 7017 -166 588 -118 C +ATOM 2317 C ILE A1018 -11.570 210.219 31.345 1.00 59.87 C +ANISOU 2317 C ILE A1018 6052 9318 7376 -7 675 -168 C +ATOM 2318 O ILE A1018 -10.365 210.539 31.487 1.00 52.57 O +ANISOU 2318 O ILE A1018 5292 8208 6475 36 663 -200 O +ATOM 2319 CB ILE A1018 -11.337 207.764 30.592 1.00 59.79 C +ANISOU 2319 CB ILE A1018 6140 9322 7254 -369 580 -141 C +ATOM 2320 CG1 ILE A1018 -11.898 206.713 29.603 1.00 64.00 C +ANISOU 2320 CG1 ILE A1018 6607 9961 7745 -550 520 -122 C +ATOM 2321 CG2 ILE A1018 -11.611 207.335 32.033 1.00 60.85 C +ANISOU 2321 CG2 ILE A1018 6290 9488 7342 -431 681 -167 C +ATOM 2322 CD1 ILE A1018 -11.070 205.442 29.485 1.00 62.82 C +ANISOU 2322 CD1 ILE A1018 6637 9664 7566 -720 505 -140 C +ATOM 2323 N PRO A1019 -12.573 210.766 32.069 1.00 48.37 N +ATOM 2324 CA PRO A1019 -12.279 211.753 33.141 1.00 55.44 C +ATOM 2325 C PRO A1019 -11.187 211.259 34.107 1.00 61.19 C +ATOM 2326 O PRO A1019 -11.017 210.030 34.270 1.00 52.68 O +ATOM 2327 CB PRO A1019 -13.625 211.918 33.880 1.00 56.92 C +ATOM 2328 CG PRO A1019 -14.669 211.449 32.910 1.00 57.14 C +ATOM 2329 CD PRO A1019 -14.011 210.411 32.022 1.00 54.14 C +ATOM 2330 N GLN A1020 -10.467 212.214 34.713 1.00 68.27 N +ATOM 2331 CA GLN A1020 -9.331 211.941 35.613 1.00 75.22 C +ATOM 2332 C GLN A1020 -9.464 212.641 36.960 1.00 73.95 C +ATOM 2333 O GLN A1020 -10.566 213.010 37.368 1.00 81.40 O +ATOM 2334 CB GLN A1020 -8.041 212.380 34.944 1.00 75.04 C +ATOM 2335 CG GLN A1020 -7.706 211.552 33.712 1.00 80.06 C +ATOM 2336 CD GLN A1020 -6.462 212.039 32.983 1.00 85.03 C +ATOM 2337 OE1 GLN A1020 -5.819 213.069 33.527 1.00 83.36 O +ATOM 2338 NE2 GLN A1020 -6.082 211.496 31.944 1.00 90.54 N +TER 2339 GLN A1020 +HETATM 2340 CAO IRE A1101 6.423 190.308 17.402 1.00103.39 C +HETATM 2341 CAL IRE A1101 7.136 189.306 16.473 1.00101.42 C +HETATM 2342 OAU IRE A1101 6.218 188.873 15.401 1.00102.32 O +HETATM 2343 CAM IRE A1101 4.872 188.499 15.860 1.00101.96 C +HETATM 2344 CAP IRE A1101 4.200 189.790 16.265 1.00101.82 C +HETATM 2345 NBE IRE A1101 5.186 190.789 16.758 1.00103.82 N +HETATM 2346 CAN IRE A1101 4.516 191.313 17.973 1.00 95.84 C +HETATM 2347 CAJ IRE A1101 3.362 192.174 17.476 1.00 84.42 C +HETATM 2348 CAK IRE A1101 2.693 192.768 18.712 1.00 74.34 C +HETATM 2349 OAV IRE A1101 1.511 193.312 18.093 1.00 57.90 O +HETATM 2350 CBA IRE A1101 0.836 194.350 18.640 1.00 54.72 C +HETATM 2351 CAZ IRE A1101 0.024 195.060 17.743 1.00 48.10 C +HETATM 2352 CAH IRE A1101 -0.722 196.148 18.205 1.00 45.46 C +HETATM 2353 OAT IRE A1101 0.043 194.619 16.438 1.00 45.97 O +HETATM 2354 CAA IRE A1101 -0.975 195.157 15.577 1.00 44.73 C +HETATM 2355 CAI IRE A1101 0.901 194.682 20.008 1.00 47.57 C +HETATM 2356 C5 IRE A1101 0.141 195.764 20.476 1.00 44.68 C +HETATM 2357 C4 IRE A1101 -0.666 196.485 19.563 1.00 42.63 C +HETATM 2358 N3 IRE A1101 -1.421 197.518 19.972 1.00 38.63 N +HETATM 2359 C2 IRE A1101 -1.362 197.899 21.320 1.00 42.23 C +HETATM 2360 N1 IRE A1101 -0.571 197.193 22.221 1.00 38.97 N +HETATM 2361 C6 IRE A1101 0.151 196.138 21.847 1.00 43.89 C +HETATM 2362 NAS IRE A1101 0.925 195.441 22.741 1.00 46.69 N +HETATM 2363 CAY IRE A1101 0.748 195.622 24.072 1.00 46.17 C +HETATM 2364 CAG IRE A1101 -0.529 195.575 24.674 1.00 47.37 C +HETATM 2365 CAX IRE A1101 -0.665 195.780 26.049 1.00 46.38 C +HETATM 2366 CL IRE A1101 -2.264 195.751 26.802 1.00 45.77 CL +HETATM 2367 CAW IRE A1101 0.474 196.030 26.817 1.00 46.74 C +HETATM 2368 FAB IRE A1101 0.351 196.204 28.140 1.00 48.93 F +HETATM 2369 CAD IRE A1101 1.759 196.052 26.229 1.00 47.50 C +HETATM 2370 CAE IRE A1101 1.887 195.846 24.849 1.00 43.74 C +HETATM 2371 NA NA A1102 19.723 211.838 -0.164 1.00 35.81 NA +HETATM 2372 O1 MES A1103 13.278 190.111 22.684 1.00 72.15 O +HETATM 2373 C2 MES A1103 13.733 189.854 24.022 1.00 71.49 C +HETATM 2374 C3 MES A1103 15.232 190.108 24.187 1.00 73.84 C +HETATM 2375 N4 MES A1103 16.003 189.437 23.106 1.00 75.79 N +HETATM 2376 C5 MES A1103 15.543 189.956 21.800 1.00 72.13 C +HETATM 2377 C6 MES A1103 14.075 189.587 21.615 1.00 69.62 C +HETATM 2378 C7 MES A1103 17.475 189.636 23.188 1.00 77.69 C +HETATM 2379 C8 MES A1103 18.029 189.446 24.611 1.00 80.71 C +HETATM 2380 S MES A1103 19.696 189.624 24.718 1.00 82.23 S +HETATM 2381 O1S MES A1103 20.380 189.037 23.529 1.00 78.18 O +HETATM 2382 O2S MES A1103 20.048 191.050 24.739 1.00 56.83 O +HETATM 2383 O3S MES A1103 20.140 189.011 26.030 1.00 76.67 O +HETATM 2384 O HOH A1201 -6.637 212.602 23.294 1.00 39.37 O +HETATM 2385 O HOH A1202 36.576 202.446 22.668 1.00 36.83 O +HETATM 2386 O HOH A1203 20.693 222.103 3.317 1.00 32.59 O +HETATM 2387 O HOH A1204 18.564 221.549 10.294 1.00 47.47 O +HETATM 2388 O HOH A1205 19.181 209.889 -1.115 1.00 34.93 O +HETATM 2389 O HOH A1206 20.626 219.673 22.425 1.00 44.15 O +HETATM 2390 O HOH A1207 7.674 214.978 44.839 1.00 42.19 O +HETATM 2391 O HOH A1208 -0.592 214.550 43.115 1.00 41.08 O +HETATM 2392 O HOH A1209 12.996 213.247 36.837 1.00 44.71 O +HETATM 2393 O HOH A1210 25.014 220.185 11.742 1.00 38.62 O +HETATM 2394 O HOH A1211 -11.394 203.581 39.350 1.00 41.92 O +HETATM 2395 O HOH A1212 -2.744 214.582 41.891 1.00 46.75 O +HETATM 2396 O HOH A1213 32.377 201.886 15.029 1.00 43.16 O +HETATM 2397 O HOH A1214 21.208 222.056 7.537 1.00 34.73 O +HETATM 2398 O HOH A1215 21.048 221.507 10.210 1.00 45.04 O +HETATM 2399 O HOH A1216 8.437 209.141 43.178 1.00 44.94 O +HETATM 2400 O HOH A1217 9.421 204.261 44.167 1.00 45.86 O +HETATM 2401 O HOH A1218 27.641 219.241 10.964 1.00 42.49 O +HETATM 2402 O HOH A1219 13.023 216.833 31.247 1.00 46.00 O +HETATM 2403 O HOH A1220 9.986 218.209 30.074 1.00 41.22 O +HETATM 2404 O HOH A1221 13.681 219.236 24.270 1.00 33.16 O +HETATM 2405 O HOH A1222 -11.307 208.715 16.402 1.00 43.26 O +HETATM 2406 O HOH A1223 26.087 215.596 7.895 1.00 25.01 O +HETATM 2407 O HOH A1224 2.025 214.527 28.718 1.00 34.56 O +HETATM 2408 O HOH A1225 17.189 217.515 3.269 1.00 31.92 O +HETATM 2409 O HOH A1226 20.653 218.823 2.382 1.00 36.58 O +HETATM 2410 O HOH A1227 21.559 212.667 1.146 1.00 32.78 O +HETATM 2411 O HOH A1228 26.639 218.042 7.052 1.00 34.27 O +HETATM 2412 O HOH A1229 7.364 215.063 17.379 1.00 54.72 O +HETATM 2413 O HOH A1230 28.250 219.558 8.412 1.00 41.96 O +HETATM 2414 O HOH A1231 26.831 224.215 9.187 1.00 43.93 O +HETATM 2415 O HOH A1232 33.184 206.505 27.385 1.00 38.10 O +HETATM 2416 O HOH A1233 -13.798 201.232 37.041 1.00 39.33 O +HETATM 2417 O HOH A1234 31.833 201.825 12.458 1.00 38.08 O +HETATM 2418 O HOH A1235 32.813 208.412 29.506 1.00 43.56 O +HETATM 2419 O HOH A1236 28.380 205.303 7.298 1.00 43.17 O +HETATM 2420 O HOH A1237 14.552 213.209 -2.773 1.00 43.14 O +HETATM 2421 O HOH A1238 19.444 206.938 -4.524 1.00 50.08 O +HETATM 2422 O HOH A1239 6.969 215.657 28.844 1.00 39.71 O +HETATM 2423 O HOH A1240 2.104 216.513 25.467 1.00 49.01 O +HETATM 2424 O HOH A1241 0.000 215.563 26.924 0.50 43.56 O +HETATM 2425 O HOH A1242 4.991 202.695 42.503 1.00 42.61 O +HETATM 2426 O HOH A1243 6.950 215.995 24.520 1.00 37.74 O +HETATM 2427 O HOH A1244 15.876 221.070 50.066 1.00 47.92 O +HETATM 2428 O HOH A1245 1.171 215.994 20.706 1.00 41.24 O +HETATM 2429 O HOH A1246 5.287 214.218 23.864 1.00 34.11 O +HETATM 2430 O HOH A1247 8.521 215.102 26.561 1.00 29.67 O +HETATM 2431 O HOH A1248 15.377 214.638 29.646 1.00 28.27 O +HETATM 2432 O HOH A1249 14.069 195.600 19.540 1.00 31.49 O +HETATM 2433 O HOH A1250 24.280 197.718 24.017 1.00 29.80 O +HETATM 2434 O HOH A1251 13.663 207.254 32.009 1.00 29.63 O +HETATM 2435 O HOH A1252 24.688 196.255 26.186 1.00 29.40 O +HETATM 2436 O HOH A1253 17.841 212.012 30.070 1.00 27.03 O +HETATM 2437 O HOH A1254 15.835 200.836 28.777 1.00 31.51 O +HETATM 2438 O HOH A1255 9.515 197.987 31.040 1.00 29.34 O +HETATM 2439 O HOH A1256 20.671 199.397 31.152 1.00 36.30 O +HETATM 2440 O HOH A1257 15.770 196.696 26.129 1.00 32.92 O +HETATM 2441 O HOH A1258 16.948 194.373 16.322 1.00 33.22 O +HETATM 2442 O HOH A1259 22.180 201.922 7.384 1.00 30.24 O +HETATM 2443 O HOH A1260 17.661 201.600 31.971 1.00 32.54 O +HETATM 2444 O HOH A1261 16.845 200.326 44.380 1.00 46.97 O +HETATM 2445 O HOH A1262 8.322 201.169 40.767 1.00 38.02 O +HETATM 2446 O HOH A1263 13.806 210.829 38.348 1.00 35.16 O +HETATM 2447 O HOH A1264 4.552 199.780 39.239 1.00 42.40 O +HETATM 2448 O HOH A1265 14.060 210.895 41.083 1.00 34.28 O +HETATM 2449 O HOH A1266 18.974 210.642 1.850 1.00 31.16 O +HETATM 2450 O HOH A1267 27.171 199.870 21.346 1.00 34.28 O +HETATM 2451 O HOH A1268 -2.237 212.290 40.435 1.00 34.47 O +HETATM 2452 O HOH A1269 25.852 215.260 16.290 1.00 37.69 O +HETATM 2453 O HOH A1270 3.203 215.804 22.861 1.00 44.76 O +HETATM 2454 O HOH A1271 28.508 206.273 35.100 1.00 44.79 O +HETATM 2455 O HOH A1272 18.216 208.458 37.227 1.00 36.90 O +HETATM 2456 O HOH A1273 16.371 192.175 17.667 1.00 36.95 O +HETATM 2457 O HOH A1274 15.749 213.614 35.786 1.00 40.77 O +HETATM 2458 O HOH A1275 9.523 194.971 29.573 1.00 38.44 O +HETATM 2459 O HOH A1276 26.550 194.838 15.330 1.00 51.13 O +HETATM 2460 O HOH A1277 22.804 192.988 35.437 1.00 42.83 O +HETATM 2461 O HOH A1278 -0.496 209.455 37.803 1.00 41.84 O +HETATM 2462 O HOH A1279 3.184 197.677 29.283 1.00 38.59 O +HETATM 2463 O HOH A1280 14.335 192.748 19.452 1.00 39.11 O +HETATM 2464 O HOH A1281 -6.714 208.873 35.987 1.00 44.84 O +HETATM 2465 O HOH A1282 7.056 199.150 38.933 1.00 45.75 O +HETATM 2466 O HOH A1283 18.303 190.657 18.963 1.00 44.19 O +HETATM 2467 O HOH A1284 29.093 202.753 32.425 1.00 41.30 O +HETATM 2468 O HOH A1285 20.126 193.960 36.374 1.00 41.94 O +HETATM 2469 O HOH A1286 1.749 211.835 41.464 1.00 53.50 O +HETATM 2470 O HOH A1287 1.181 213.020 33.090 1.00 44.19 O +HETATM 2471 O HOH A1288 15.660 193.044 36.879 1.00 41.61 O +HETATM 2472 O HOH A1289 29.053 194.839 16.255 1.00 57.20 O +HETATM 2473 O HOH A1290 -8.181 202.800 19.546 1.00 29.16 O +HETATM 2474 O HOH A1291 -0.330 207.910 27.477 1.00 35.33 O +HETATM 2475 O HOH A1292 -6.823 209.113 16.536 1.00 41.25 O +HETATM 2476 O HOH A1293 -9.494 205.570 34.186 1.00 39.57 O +HETATM 2477 O HOH A1294 -4.701 203.290 25.517 1.00 38.91 O +HETATM 2478 O HOH A1295 -7.333 202.471 33.959 1.00 43.17 O +HETATM 2479 O HOH A1296 -1.032 208.398 24.228 1.00 33.64 O +HETATM 2480 O HOH A1297 21.413 218.231 15.836 1.00 43.67 O +HETATM 2481 O HOH A1298 -2.145 210.424 15.642 1.00 45.85 O +HETATM 2482 O HOH A1299 20.683 191.434 11.874 1.00 47.19 O +HETATM 2483 O HOH A1300 21.397 190.372 18.685 1.00 44.86 O +HETATM 2484 O HOH A1301 -1.497 201.265 23.343 1.00 37.56 O +HETATM 2485 O HOH A1302 31.042 189.148 28.802 1.00 41.10 O +HETATM 2486 O HOH A1303 -11.896 205.551 34.720 1.00 42.05 O +HETATM 2487 O HOH A1304 5.100 196.174 12.707 1.00 42.08 O +HETATM 2488 O HOH A1305 27.477 190.171 29.054 1.00 42.70 O +HETATM 2489 O HOH A1306 20.068 209.597 35.471 1.00 38.52 O +HETATM 2490 O HOH A1307 23.067 204.595 35.047 1.00 46.50 O +HETATM 2491 O HOH A1308 -2.716 209.130 26.838 1.00 42.77 O +HETATM 2492 O HOH A1309 -8.981 204.426 31.838 1.00 46.31 O +HETATM 2493 O HOH A1310 27.022 188.983 31.420 1.00 52.08 O +HETATM 2494 O HOH A1311 14.896 190.069 16.199 1.00 46.49 O +HETATM 2495 O HOH A1312 11.131 197.149 42.864 1.00 47.20 O +HETATM 2496 O HOH A1313 28.105 199.393 9.814 1.00 46.74 O +HETATM 2497 O HOH A1314 6.915 211.275 9.639 1.00 54.84 O +HETATM 2498 O HOH A1315 -13.078 208.325 34.882 1.00 50.20 O +HETATM 2499 O HOH A1316 16.899 210.513 38.721 1.00 50.41 O +HETATM 2500 O HOH A1317 -5.406 205.801 34.488 1.00 46.85 O +HETATM 2501 O HOH A1318 28.295 194.846 41.457 1.00 57.38 O +HETATM 2502 O HOH A1319 11.312 193.181 25.794 0.50 19.73 O +HETATM 2503 O HOH A1320 0.479 199.044 24.287 1.00 39.29 O +HETATM 2504 O HOH A1321 22.851 213.008 34.151 1.00 51.29 O +CONECT 697 699 +CONECT 699 697 700 +CONECT 700 699 701 703 +CONECT 701 700 702 +CONECT 702 701 705 +CONECT 703 700 704 706 +CONECT 704 703 +CONECT 705 702 +CONECT 706 703 +CONECT 2158 2371 +CONECT 2340 2341 2345 +CONECT 2341 2340 2342 +CONECT 2342 2341 2343 +CONECT 2343 2342 2344 +CONECT 2344 2343 2345 +CONECT 2345 2340 2344 2346 +CONECT 2346 2345 2347 +CONECT 2347 2346 2348 +CONECT 2348 2347 2349 +CONECT 2349 2348 2350 +CONECT 2350 2349 2351 2355 +CONECT 2351 2350 2352 2353 +CONECT 2352 2351 2357 +CONECT 2353 2351 2354 +CONECT 2354 2353 +CONECT 2355 2350 2356 +CONECT 2356 2355 2357 2361 +CONECT 2357 2352 2356 2358 +CONECT 2358 2357 2359 +CONECT 2359 2358 2360 +CONECT 2360 2359 2361 +CONECT 2361 2356 2360 2362 +CONECT 2362 2361 2363 +CONECT 2363 2362 2364 2370 +CONECT 2364 2363 2365 +CONECT 2365 2364 2366 2367 +CONECT 2366 2365 +CONECT 2367 2365 2368 2369 +CONECT 2368 2367 +CONECT 2369 2367 2370 +CONECT 2370 2363 2369 +CONECT 2371 2158 2388 2410 2449 +CONECT 2372 2373 2377 +CONECT 2373 2372 2374 +CONECT 2374 2373 2375 +CONECT 2375 2374 2376 2378 +CONECT 2376 2375 2377 +CONECT 2377 2372 2376 +CONECT 2378 2375 2379 +CONECT 2379 2378 2380 +CONECT 2380 2379 2381 2382 2383 +CONECT 2381 2380 +CONECT 2382 2380 +CONECT 2383 2380 +CONECT 2388 2371 +CONECT 2410 2371 +CONECT 2449 2371 +MASTER 482 0 4 16 11 0 7 6 2482 1 57 26 +END diff --git a/data/targets/prelim_set_mapk14_1a9u/mapk14_1a9u.pdb b/data/targets/prelim_set_mapk14_1a9u/mapk14_1a9u.pdb new file mode 100644 index 0000000000000000000000000000000000000000..57e56794125d8f0abda36d0fcbbddd471e9ae101 --- /dev/null +++ b/data/targets/prelim_set_mapk14_1a9u/mapk14_1a9u.pdb @@ -0,0 +1,3400 @@ +HEADER TRANSFERASE 10-APR-98 1A9U +TITLE THE COMPLEX STRUCTURE OF THE MAP KINASE P38/SB203580 +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: MAP KINASE P38; +COMPND 3 CHAIN: A; +COMPND 4 SYNONYM: MITOGEN ACTIVATED PROTEIN KINASE; +COMPND 5 EC: 2.7.1.-; +COMPND 6 ENGINEERED: YES; +COMPND 7 MUTATION: YES; +COMPND 8 OTHER_DETAILS: SB203580 PYRIDINYLIMIDAZOLE +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; +SOURCE 3 ORGANISM_COMMON: HUMAN; +SOURCE 4 ORGANISM_TAXID: 9606; +SOURCE 5 CELL_LINE: BL21 (DE3); +SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); +SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; +SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3); +SOURCE 9 EXPRESSION_SYSTEM_CELL_LINE: BL21 (DE3); +SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET15B +KEYWDS TRANSFERASE, MAP KINASE, SERINE/THREONINE-PROTEIN KINASE, P38 +EXPDTA X-RAY DIFFRACTION +AUTHOR Z.WANG,B.CANAGARAJAH,J.C.BOEHM,S.KASSIS,M.H.COBB,P.R.YOUNG,S.ABDEL- +AUTHOR 2 MEGUID,J.L.ADAMS,E.J.GOLDSMITH +REVDAT 5 03-APR-24 1A9U 1 REMARK +REVDAT 4 07-FEB-24 1A9U 1 REMARK +REVDAT 3 24-FEB-09 1A9U 1 VERSN +REVDAT 2 01-APR-03 1A9U 1 JRNL +REVDAT 1 20-APR-99 1A9U 0 +JRNL AUTH Z.WANG,B.J.CANAGARAJAH,J.C.BOEHM,S.KASSISA,M.H.COBB, +JRNL AUTH 2 P.R.YOUNG,S.ABDEL-MEGUID,J.L.ADAMS,E.J.GOLDSMITH +JRNL TITL STRUCTURAL BASIS OF INHIBITOR SELECTIVITY IN MAP KINASES. +JRNL REF STRUCTURE V. 6 1117 1998 +JRNL REFN ISSN 0969-2126 +JRNL PMID 9753691 +JRNL DOI 10.1016/S0969-2126(98)00113-0 +REMARK 1 +REMARK 1 REFERENCE 1 +REMARK 1 AUTH J.RAINGEAUD,S.GUPTA,J.S.ROGERS,M.DICKENS,J.HAN,R.J.ULEVITCH, +REMARK 1 AUTH 2 R.J.DAVIS +REMARK 1 TITL PRO-INFLAMMATORY CYTOKINES AND ENVIRONMENTAL STRESS CAUSE +REMARK 1 TITL 2 P38 MITOGEN-ACTIVATED PROTEIN KINASE ACTIVATION BY DUAL +REMARK 1 TITL 3 PHOSPHORYLATION ON TYROSINE AND THREONINE +REMARK 1 REF J.BIOL.CHEM. V. 270 7420 1995 +REMARK 1 REFN ISSN 0021-9258 +REMARK 1 REFERENCE 2 +REMARK 1 AUTH J.HAN,J.D.LEE,L.BIBBS,R.J.ULEVITCH +REMARK 1 TITL A MAP KINASE TARGETED BY ENDOTOXIN AND HYPEROSMOLARITY IN +REMARK 1 TITL 2 MAMMALIAN CELLS +REMARK 1 REF SCIENCE V. 265 808 1994 +REMARK 1 REFN ISSN 0036-8075 +REMARK 1 REFERENCE 3 +REMARK 1 AUTH J.C.LEE,J.T.LAYDON,P.C.MCDONNELL,T.F.GALLAGHER,S.KUMAR, +REMARK 1 AUTH 2 D.GREEN,D.MCNULTY,M.J.BLUMENTHAL,J.R.HEYS,S.W.LANDVATTER, +REMARK 1 AUTH 3 J.E.STRICKLER,M.M.MCLAUGHLIN,I.R.SIEMENS,S.M.FISHER, +REMARK 1 AUTH 4 G.P.LIVI,J.R.WHITE,J.L.ADAMS,P.R.YOUNG +REMARK 1 TITL A PROTEIN KINASE INVOLVED IN THE REGULATION OF INFLAMMATORY +REMARK 1 TITL 2 CYTOKINE BIOSYNTHESIS +REMARK 1 REF NATURE V. 372 739 1994 +REMARK 1 REFN ISSN 0028-0836 +REMARK 2 +REMARK 2 RESOLUTION. 2.50 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : X-PLOR +REMARK 3 AUTHORS : BRUNGER +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.50 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 20.00 +REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.000 +REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL +REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL +REMARK 3 COMPLETENESS (WORKING+TEST) (%) : NULL +REMARK 3 NUMBER OF REFLECTIONS : 17771 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 CROSS-VALIDATION METHOD : NULL +REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM +REMARK 3 R VALUE (WORKING SET) : 0.182 +REMARK 3 FREE R VALUE : 0.240 +REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.000 +REMARK 3 FREE R VALUE TEST SET COUNT : NULL +REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL +REMARK 3 +REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. +REMARK 3 TOTAL NUMBER OF BINS USED : NULL +REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL +REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL +REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL +REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL +REMARK 3 BIN R VALUE (WORKING SET) : NULL +REMARK 3 BIN FREE R VALUE : NULL +REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL +REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL +REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 2833 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 27 +REMARK 3 SOLVENT ATOMS : 90 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : NULL +REMARK 3 MEAN B VALUE (OVERALL, A**2) : 36.80 +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : NULL +REMARK 3 B22 (A**2) : NULL +REMARK 3 B33 (A**2) : NULL +REMARK 3 B12 (A**2) : NULL +REMARK 3 B13 (A**2) : NULL +REMARK 3 B23 (A**2) : NULL +REMARK 3 +REMARK 3 ESTIMATED COORDINATE ERROR. +REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL +REMARK 3 ESD FROM SIGMAA (A) : NULL +REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL +REMARK 3 +REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. +REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL +REMARK 3 ESD FROM C-V SIGMAA (A) : NULL +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. +REMARK 3 BOND LENGTHS (A) : 0.009 +REMARK 3 BOND ANGLES (DEGREES) : 1.450 +REMARK 3 DIHEDRAL ANGLES (DEGREES) : 25.90 +REMARK 3 IMPROPER ANGLES (DEGREES) : 0.724 +REMARK 3 +REMARK 3 ISOTROPIC THERMAL MODEL : NULL +REMARK 3 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA +REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL +REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL +REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL +REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL +REMARK 3 +REMARK 3 NCS MODEL : NULL +REMARK 3 +REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT +REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL +REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL +REMARK 3 +REMARK 3 PARAMETER FILE 1 : PARHCSDX.PRO +REMARK 3 PARAMETER FILE 2 : PARAM19.SOL +REMARK 3 PARAMETER FILE 3 : SB1.PAR +REMARK 3 PARAMETER FILE 4 : NULL +REMARK 3 TOPOLOGY FILE 1 : TOPHCSDX.PRO +REMARK 3 TOPOLOGY FILE 2 : TOPH19.SOL +REMARK 3 TOPOLOGY FILE 3 : SB1.TOP +REMARK 3 TOPOLOGY FILE 4 : NULL +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: NULL +REMARK 4 +REMARK 4 1A9U COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. +REMARK 100 THE DEPOSITION ID IS D_1000170572. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : 06-NOV-96 +REMARK 200 TEMPERATURE (KELVIN) : 100 +REMARK 200 PH : 7.4 +REMARK 200 NUMBER OF CRYSTALS USED : 1 +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : N +REMARK 200 RADIATION SOURCE : ROTATING ANODE +REMARK 200 BEAMLINE : NULL +REMARK 200 X-RAY GENERATOR MODEL : RIGAKU RUH3R +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 +REMARK 200 MONOCHROMATOR : NULL +REMARK 200 OPTICS : MIRRORS +REMARK 200 +REMARK 200 DETECTOR TYPE : IMAGE PLATE +REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS IIC +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO +REMARK 200 DATA SCALING SOFTWARE : SCALEPACK +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 19984 +REMARK 200 RESOLUTION RANGE HIGH (A) : 2.400 +REMARK 200 RESOLUTION RANGE LOW (A) : 37.300 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 92.4 +REMARK 200 DATA REDUNDANCY : 11.40 +REMARK 200 R MERGE (I) : NULL +REMARK 200 R SYM (I) : 0.04200 +REMARK 200 FOR THE DATA SET : 20.0000 +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.40 +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.50 +REMARK 200 COMPLETENESS FOR SHELL (%) : 65.6 +REMARK 200 DATA REDUNDANCY IN SHELL : NULL +REMARK 200 R MERGE FOR SHELL (I) : 0.24200 +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 FOR SHELL : 5.300 +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: NULL +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT +REMARK 200 SOFTWARE USED: AMORE +REMARK 200 STARTING MODEL: MAP KINASE P38 +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 58.00 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.92 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: PH 7.4 +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -X+1/2,-Y,Z+1/2 +REMARK 290 3555 -X,Y+1/2,-Z+1/2 +REMARK 290 4555 X+1/2,-Y+1/2,-Z +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 22.74000 +REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 61.56500 +REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 42.51500 +REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 61.56500 +REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 22.74000 +REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 42.51500 +REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 465 +REMARK 465 MISSING RESIDUES +REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE +REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) +REMARK 465 +REMARK 465 M RES C SSSEQI +REMARK 465 GLY A -18 +REMARK 465 SER A -17 +REMARK 465 SER A -16 +REMARK 465 HIS A -15 +REMARK 465 HIS A -14 +REMARK 465 HIS A -13 +REMARK 465 HIS A -12 +REMARK 465 HIS A -11 +REMARK 465 HIS A -10 +REMARK 465 SER A -9 +REMARK 465 SER A -8 +REMARK 465 GLY A -7 +REMARK 465 LEU A -6 +REMARK 465 VAL A -5 +REMARK 465 PRO A -4 +REMARK 465 ARG A -3 +REMARK 465 GLY A -2 +REMARK 465 SER A -1 +REMARK 465 HIS A 0 +REMARK 465 MET A 1 +REMARK 465 SER A 2 +REMARK 465 GLN A 3 +REMARK 465 GLN A 355 +REMARK 465 GLU A 356 +REMARK 465 GLU A 357 +REMARK 465 MET A 358 +REMARK 465 GLU A 359 +REMARK 465 SER A 360 +REMARK 475 +REMARK 475 ZERO OCCUPANCY RESIDUES +REMARK 475 THE FOLLOWING RESIDUES WERE MODELED WITH ZERO OCCUPANCY. +REMARK 475 THE LOCATION AND PROPERTIES OF THESE RESIDUES MAY NOT +REMARK 475 BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; +REMARK 475 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE) +REMARK 475 M RES C SSEQI +REMARK 475 GLU A 4 +REMARK 475 ALA A 172 +REMARK 475 ARG A 173 +REMARK 475 HIS A 174 +REMARK 475 THR A 175 +REMARK 475 ASP A 176 +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 ARG A 5 71.41 59.82 +REMARK 500 SER A 56 -85.85 -33.39 +REMARK 500 MET A 78 101.59 -59.91 +REMARK 500 GLN A 120 -175.60 152.13 +REMARK 500 ARG A 149 -12.91 77.60 +REMARK 500 ASP A 150 48.55 -140.63 +REMARK 500 LEU A 167 -166.13 -114.41 +REMARK 500 ASP A 168 87.83 12.94 +REMARK 500 LEU A 171 93.48 -48.81 +REMARK 500 ALA A 172 -82.72 165.77 +REMARK 500 HIS A 174 132.03 -39.15 +REMARK 500 ASP A 177 -51.40 76.08 +REMARK 500 ASN A 201 -165.67 -113.38 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 800 +REMARK 800 SITE +REMARK 800 SITE_IDENTIFIER: AC1 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SB2 A 800 +DBREF 1A9U A 1 360 UNP Q16539 MK14_HUMAN 1 360 +SEQRES 1 A 379 GLY SER SER HIS HIS HIS HIS HIS HIS SER SER GLY LEU +SEQRES 2 A 379 VAL PRO ARG GLY SER HIS MET SER GLN GLU ARG PRO THR +SEQRES 3 A 379 PHE TYR ARG GLN GLU LEU ASN LYS THR ILE TRP GLU VAL +SEQRES 4 A 379 PRO GLU ARG TYR GLN ASN LEU SER PRO VAL GLY SER GLY +SEQRES 5 A 379 ALA TYR GLY SER VAL CYS ALA ALA PHE ASP THR LYS THR +SEQRES 6 A 379 GLY LEU ARG VAL ALA VAL LYS LYS LEU SER ARG PRO PHE +SEQRES 7 A 379 GLN SER ILE ILE HIS ALA LYS ARG THR TYR ARG GLU LEU +SEQRES 8 A 379 ARG LEU LEU LYS HIS MET LYS HIS GLU ASN VAL ILE GLY +SEQRES 9 A 379 LEU LEU ASP VAL PHE THR PRO ALA ARG SER LEU GLU GLU +SEQRES 10 A 379 PHE ASN ASP VAL TYR LEU VAL THR HIS LEU MET GLY ALA +SEQRES 11 A 379 ASP LEU ASN ASN ILE VAL LYS CYS GLN LYS LEU THR ASP +SEQRES 12 A 379 ASP HIS VAL GLN PHE LEU ILE TYR GLN ILE LEU ARG GLY +SEQRES 13 A 379 LEU LYS TYR ILE HIS SER ALA ASP ILE ILE HIS ARG ASP +SEQRES 14 A 379 LEU LYS PRO SER ASN LEU ALA VAL ASN GLU ASP CYS GLU +SEQRES 15 A 379 LEU LYS ILE LEU ASP PHE GLY LEU ALA ARG HIS THR ASP +SEQRES 16 A 379 ASP GLU MET THR GLY TYR VAL ALA THR ARG TRP TYR ARG +SEQRES 17 A 379 ALA PRO GLU ILE MET LEU ASN TRP MET HIS TYR ASN GLN +SEQRES 18 A 379 THR VAL ASP ILE TRP SER VAL GLY CYS ILE MET ALA GLU +SEQRES 19 A 379 LEU LEU THR GLY ARG THR LEU PHE PRO GLY THR ASP HIS +SEQRES 20 A 379 ILE ASP GLN LEU LYS LEU ILE LEU ARG LEU VAL GLY THR +SEQRES 21 A 379 PRO GLY ALA GLU LEU LEU LYS LYS ILE SER SER GLU SER +SEQRES 22 A 379 ALA ARG ASN TYR ILE GLN SER LEU THR GLN MET PRO LYS +SEQRES 23 A 379 MET ASN PHE ALA ASN VAL PHE ILE GLY ALA ASN PRO LEU +SEQRES 24 A 379 ALA VAL ASP LEU LEU GLU LYS MET LEU VAL LEU ASP SER +SEQRES 25 A 379 ASP LYS ARG ILE THR ALA ALA GLN ALA LEU ALA HIS ALA +SEQRES 26 A 379 TYR PHE ALA GLN TYR HIS ASP PRO ASP ASP GLU PRO VAL +SEQRES 27 A 379 ALA ASP PRO TYR ASP GLN SER PHE GLU SER ARG ASP LEU +SEQRES 28 A 379 LEU ILE ASP GLU TRP LYS SER LEU THR TYR ASP GLU VAL +SEQRES 29 A 379 ILE SER PHE VAL PRO PRO PRO LEU ASP GLN GLU GLU MET +SEQRES 30 A 379 GLU SER +HET SB2 A 800 27 +HETNAM SB2 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H- +HETNAM 2 SB2 IMIDAZOL-4-YL]-PYRIDINE +FORMUL 2 SB2 C21 H16 F N3 O S +FORMUL 3 HOH *90(H2 O) +HELIX 1 1 ILE A 62 HIS A 77 1 16 +HELIX 2 2 LEU A 113 CYS A 119 1 7 +HELIX 3 3 ASP A 124 ALA A 144 1 21 +HELIX 4 4 PRO A 153 ASN A 155 5 3 +HELIX 5 5 ALA A 184 TYR A 188 1 5 +HELIX 6 6 PRO A 191 MET A 194 1 4 +HELIX 7 7 GLN A 202 THR A 218 5 17 +HELIX 8 8 HIS A 228 VAL A 239 1 12 +HELIX 9 9 ALA A 244 LYS A 249 1 6 +HELIX 10 10 GLU A 253 SER A 261 1 9 +HELIX 11 11 PHE A 270 ASN A 272 5 3 +HELIX 12 12 PRO A 279 MET A 288 1 10 +HELIX 13 13 SER A 293 LYS A 295 5 3 +HELIX 14 14 ALA A 299 LEU A 303 1 5 +HELIX 15 15 ALA A 306 PHE A 308 5 3 +HELIX 16 16 PRO A 314 ASP A 316 5 3 +HELIX 17 17 SER A 326 SER A 329 5 4 +HELIX 18 18 ILE A 334 ILE A 346 1 13 +SHEET 1 A 2 PHE A 8 LEU A 13 0 +SHEET 2 A 2 THR A 16 PRO A 21 -1 N VAL A 20 O TYR A 9 +SHEET 1 B 5 ASP A 88 PHE A 90 0 +SHEET 2 B 5 TYR A 103 HIS A 107 -1 N VAL A 105 O ASP A 88 +SHEET 3 B 5 ARG A 49 LEU A 55 -1 N LYS A 53 O LEU A 104 +SHEET 4 B 5 GLY A 36 PHE A 42 -1 N ALA A 41 O VAL A 50 +SHEET 5 B 5 SER A 28 GLY A 31 -1 N GLY A 31 O VAL A 38 +SHEET 1 C 2 LEU A 156 VAL A 158 0 +SHEET 2 C 2 LEU A 164 ILE A 166 -1 N LYS A 165 O ALA A 157 +SITE 1 AC1 9 TYR A 35 ALA A 51 LYS A 53 LEU A 86 +SITE 2 AC1 9 LEU A 104 VAL A 105 THR A 106 HIS A 107 +SITE 3 AC1 9 MET A 109 +CRYST1 45.480 85.030 123.130 90.00 90.00 90.00 P 21 21 21 4 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.021988 0.000000 0.000000 0.00000 +SCALE2 0.000000 0.011761 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.008121 0.00000 +ATOM 1 N GLU A 4 24.643 4.560 26.403 0.00 92.47 N +ATOM 2 CA GLU A 4 23.481 4.689 25.477 0.00 91.94 C +ATOM 3 C GLU A 4 23.878 4.469 23.998 0.00 88.76 C +ATOM 4 O GLU A 4 24.602 3.525 23.662 0.00 90.39 O +ATOM 5 CB GLU A 4 22.828 6.079 25.652 0.00 94.83 C +ATOM 6 CG GLU A 4 21.488 6.067 26.406 0.00 97.82 C +ATOM 7 CD GLU A 4 21.123 7.413 27.028 0.00 99.33 C +ATOM 8 OE1 GLU A 4 21.901 7.908 27.869 0.00 98.99 O +ATOM 9 OE2 GLU A 4 20.055 7.972 26.681 0.00 99.68 O +ATOM 10 N ARG A 5 23.381 5.351 23.135 1.00 82.66 N +ATOM 11 CA ARG A 5 23.633 5.335 21.693 1.00 73.88 C +ATOM 12 C ARG A 5 23.220 4.114 20.891 1.00 67.08 C +ATOM 13 O ARG A 5 24.064 3.340 20.440 1.00 65.98 O +ATOM 14 CB ARG A 5 25.097 5.646 21.376 1.00 74.15 C +ATOM 15 CG ARG A 5 25.263 6.353 20.024 1.00 74.66 C +ATOM 16 CD ARG A 5 24.576 7.722 20.027 1.00 75.22 C +ATOM 17 NE ARG A 5 23.910 8.029 18.765 1.00 73.26 N +ATOM 18 CZ ARG A 5 23.094 9.062 18.585 1.00 73.82 C +ATOM 19 NH1 ARG A 5 22.838 9.897 19.583 1.00 71.79 N +ATOM 20 NH2 ARG A 5 22.536 9.266 17.399 1.00 73.86 N +ATOM 21 N PRO A 6 21.902 3.931 20.708 1.00 60.29 N +ATOM 22 CA PRO A 6 21.390 2.798 19.946 1.00 53.16 C +ATOM 23 C PRO A 6 21.171 3.307 18.530 1.00 47.42 C +ATOM 24 O PRO A 6 21.615 4.400 18.179 1.00 42.39 O +ATOM 25 CB PRO A 6 20.076 2.480 20.638 1.00 55.94 C +ATOM 26 CG PRO A 6 19.603 3.813 21.177 1.00 55.83 C +ATOM 27 CD PRO A 6 20.796 4.751 21.240 1.00 59.56 C +ATOM 28 N THR A 7 20.488 2.518 17.709 1.00 42.39 N +ATOM 29 CA THR A 7 20.221 2.955 16.357 1.00 36.83 C +ATOM 30 C THR A 7 18.905 3.697 16.370 1.00 34.22 C +ATOM 31 O THR A 7 17.899 3.216 16.893 1.00 30.63 O +ATOM 32 CB THR A 7 20.139 1.779 15.372 1.00 36.99 C +ATOM 33 OG1 THR A 7 21.426 1.166 15.265 1.00 38.30 O +ATOM 34 CG2 THR A 7 19.713 2.263 13.985 1.00 31.12 C +ATOM 35 N PHE A 8 18.938 4.896 15.815 1.00 32.36 N +ATOM 36 CA PHE A 8 17.763 5.742 15.735 1.00 31.52 C +ATOM 37 C PHE A 8 17.195 5.609 14.336 1.00 30.51 C +ATOM 38 O PHE A 8 17.940 5.515 13.373 1.00 31.34 O +ATOM 39 CB PHE A 8 18.146 7.210 15.938 1.00 31.36 C +ATOM 40 CG PHE A 8 18.371 7.597 17.365 1.00 31.67 C +ATOM 41 CD1 PHE A 8 19.477 7.132 18.063 1.00 28.81 C +ATOM 42 CD2 PHE A 8 17.486 8.467 18.004 1.00 31.87 C +ATOM 43 CE1 PHE A 8 19.703 7.529 19.373 1.00 28.97 C +ATOM 44 CE2 PHE A 8 17.706 8.869 19.314 1.00 31.87 C +ATOM 45 CZ PHE A 8 18.817 8.399 20.001 1.00 30.24 C +ATOM 46 N TYR A 9 15.881 5.594 14.212 1.00 28.28 N +ATOM 47 CA TYR A 9 15.291 5.542 12.894 1.00 29.48 C +ATOM 48 C TYR A 9 14.371 6.749 12.867 1.00 32.09 C +ATOM 49 O TYR A 9 13.885 7.183 13.906 1.00 32.28 O +ATOM 50 CB TYR A 9 14.538 4.218 12.663 1.00 25.02 C +ATOM 51 CG TYR A 9 13.246 4.011 13.442 1.00 24.29 C +ATOM 52 CD1 TYR A 9 13.257 3.661 14.799 1.00 19.53 C +ATOM 53 CD2 TYR A 9 12.013 4.094 12.799 1.00 24.01 C +ATOM 54 CE1 TYR A 9 12.066 3.393 15.483 1.00 20.25 C +ATOM 55 CE2 TYR A 9 10.823 3.827 13.476 1.00 23.28 C +ATOM 56 CZ TYR A 9 10.853 3.477 14.808 1.00 22.28 C +ATOM 57 OH TYR A 9 9.656 3.199 15.442 1.00 23.79 O +ATOM 58 N ARG A 10 14.143 7.313 11.695 1.00 34.62 N +ATOM 59 CA ARG A 10 13.303 8.486 11.631 1.00 40.07 C +ATOM 60 C ARG A 10 12.089 8.319 10.733 1.00 41.12 C +ATOM 61 O ARG A 10 12.102 7.533 9.796 1.00 41.94 O +ATOM 62 CB ARG A 10 14.159 9.685 11.203 1.00 44.87 C +ATOM 63 CG ARG A 10 13.658 10.460 10.017 1.00 50.98 C +ATOM 64 CD ARG A 10 14.818 11.152 9.325 1.00 60.29 C +ATOM 65 NE ARG A 10 15.315 12.293 10.088 1.00 65.92 N +ATOM 66 CZ ARG A 10 15.347 13.544 9.632 1.00 71.06 C +ATOM 67 NH1 ARG A 10 14.908 13.827 8.407 1.00 70.66 N +ATOM 68 NH2 ARG A 10 15.818 14.518 10.407 1.00 73.43 N +ATOM 69 N GLN A 11 11.035 9.062 11.042 1.00 42.96 N +ATOM 70 CA GLN A 11 9.804 9.015 10.272 1.00 45.80 C +ATOM 71 C GLN A 11 9.029 10.308 10.471 1.00 49.09 C +ATOM 72 O GLN A 11 9.335 11.082 11.371 1.00 49.02 O +ATOM 73 CB GLN A 11 8.944 7.842 10.723 1.00 44.17 C +ATOM 74 CG GLN A 11 8.294 8.045 12.066 1.00 45.16 C +ATOM 75 CD GLN A 11 7.684 6.773 12.597 1.00 47.43 C +ATOM 76 OE1 GLN A 11 6.627 6.346 12.136 1.00 51.29 O +ATOM 77 NE2 GLN A 11 8.352 6.149 13.567 1.00 47.47 N +ATOM 78 N GLU A 12 8.028 10.538 9.629 1.00 52.90 N +ATOM 79 CA GLU A 12 7.205 11.737 9.731 1.00 56.34 C +ATOM 80 C GLU A 12 5.752 11.350 9.952 1.00 57.43 C +ATOM 81 O GLU A 12 5.124 10.750 9.086 1.00 59.64 O +ATOM 82 CB GLU A 12 7.325 12.583 8.458 1.00 58.98 C +ATOM 83 CG GLU A 12 6.385 13.778 8.422 1.00 62.99 C +ATOM 84 CD GLU A 12 6.672 14.715 7.271 1.00 67.26 C +ATOM 85 OE1 GLU A 12 7.260 14.263 6.265 1.00 69.61 O +ATOM 86 OE2 GLU A 12 6.310 15.907 7.370 1.00 69.59 O +ATOM 87 N LEU A 13 5.227 11.693 11.121 1.00 58.85 N +ATOM 88 CA LEU A 13 3.847 11.390 11.461 1.00 61.53 C +ATOM 89 C LEU A 13 3.140 12.691 11.835 1.00 64.66 C +ATOM 90 O LEU A 13 3.498 13.341 12.824 1.00 65.95 O +ATOM 91 CB LEU A 13 3.808 10.398 12.628 1.00 63.24 C +ATOM 92 CG LEU A 13 4.813 9.232 12.588 1.00 65.04 C +ATOM 93 CD1 LEU A 13 4.741 8.466 13.904 1.00 64.36 C +ATOM 94 CD2 LEU A 13 4.530 8.303 11.400 1.00 61.20 C +ATOM 95 N ASN A 14 2.134 13.059 11.041 1.00 65.91 N +ATOM 96 CA ASN A 14 1.378 14.295 11.248 1.00 66.17 C +ATOM 97 C ASN A 14 2.289 15.489 10.987 1.00 66.45 C +ATOM 98 O ASN A 14 2.217 16.501 11.685 1.00 66.49 O +ATOM 99 CB ASN A 14 0.827 14.376 12.673 1.00 67.32 C +ATOM 100 CG ASN A 14 -0.534 13.738 12.803 1.00 67.69 C +ATOM 101 OD1 ASN A 14 -0.784 12.678 12.232 1.00 70.11 O +ATOM 102 ND2 ASN A 14 -1.422 14.371 13.561 1.00 65.02 N +ATOM 103 N LYS A 15 3.147 15.355 9.979 1.00 66.46 N +ATOM 104 CA LYS A 15 4.092 16.402 9.597 1.00 66.38 C +ATOM 105 C LYS A 15 5.106 16.716 10.703 1.00 63.77 C +ATOM 106 O LYS A 15 5.686 17.796 10.735 1.00 61.94 O +ATOM 107 CB LYS A 15 3.337 17.677 9.198 1.00 69.75 C +ATOM 108 CG LYS A 15 2.621 17.602 7.847 1.00 73.07 C +ATOM 109 CD LYS A 15 1.179 17.106 7.983 1.00 76.15 C +ATOM 110 CE LYS A 15 0.325 18.055 8.822 1.00 77.46 C +ATOM 111 NZ LYS A 15 -0.308 17.375 9.995 1.00 78.35 N +ATOM 112 N THR A 16 5.320 15.762 11.605 1.00 61.91 N +ATOM 113 CA THR A 16 6.273 15.926 12.704 1.00 57.78 C +ATOM 114 C THR A 16 7.361 14.886 12.524 1.00 52.53 C +ATOM 115 O THR A 16 7.062 13.706 12.425 1.00 51.83 O +ATOM 116 CB THR A 16 5.628 15.664 14.073 1.00 59.18 C +ATOM 117 OG1 THR A 16 4.453 16.467 14.220 1.00 63.21 O +ATOM 118 CG2 THR A 16 6.608 15.984 15.179 1.00 59.15 C +ATOM 119 N ILE A 17 8.614 15.312 12.470 1.00 47.39 N +ATOM 120 CA ILE A 17 9.695 14.357 12.314 1.00 45.76 C +ATOM 121 C ILE A 17 10.003 13.746 13.676 1.00 45.59 C +ATOM 122 O ILE A 17 10.084 14.451 14.678 1.00 47.41 O +ATOM 123 CB ILE A 17 10.986 15.019 11.762 1.00 45.68 C +ATOM 124 CG1 ILE A 17 10.943 15.088 10.232 1.00 47.57 C +ATOM 125 CG2 ILE A 17 12.217 14.218 12.188 1.00 45.13 C +ATOM 126 CD1 ILE A 17 9.732 14.433 9.576 1.00 50.71 C +ATOM 127 N TRP A 18 10.160 12.428 13.706 1.00 42.36 N +ATOM 128 CA TRP A 18 10.488 11.721 14.934 1.00 37.97 C +ATOM 129 C TRP A 18 11.721 10.865 14.667 1.00 36.67 C +ATOM 130 O TRP A 18 11.717 10.023 13.777 1.00 37.53 O +ATOM 131 CB TRP A 18 9.324 10.824 15.377 1.00 37.58 C +ATOM 132 CG TRP A 18 8.141 11.578 15.940 1.00 41.03 C +ATOM 133 CD1 TRP A 18 7.200 12.286 15.229 1.00 43.28 C +ATOM 134 CD2 TRP A 18 7.765 11.698 17.326 1.00 39.74 C +ATOM 135 NE1 TRP A 18 6.272 12.833 16.085 1.00 42.95 N +ATOM 136 CE2 TRP A 18 6.591 12.489 17.375 1.00 42.84 C +ATOM 137 CE3 TRP A 18 8.301 11.214 18.525 1.00 36.01 C +ATOM 138 CZ2 TRP A 18 5.947 12.807 18.588 1.00 39.27 C +ATOM 139 CZ3 TRP A 18 7.657 11.531 19.724 1.00 35.84 C +ATOM 140 CH2 TRP A 18 6.494 12.317 19.742 1.00 35.06 C +ATOM 141 N GLU A 19 12.788 11.108 15.420 1.00 34.38 N +ATOM 142 CA GLU A 19 14.009 10.333 15.288 1.00 32.10 C +ATOM 143 C GLU A 19 14.205 9.629 16.626 1.00 31.84 C +ATOM 144 O GLU A 19 14.763 10.180 17.571 1.00 30.61 O +ATOM 145 CB GLU A 19 15.178 11.242 14.987 1.00 34.83 C +ATOM 146 CG GLU A 19 16.301 10.516 14.322 1.00 41.70 C +ATOM 147 CD GLU A 19 17.249 11.458 13.630 1.00 46.80 C +ATOM 148 OE1 GLU A 19 16.801 12.584 13.272 1.00 46.21 O +ATOM 149 OE2 GLU A 19 18.432 11.063 13.455 1.00 45.98 O +ATOM 150 N VAL A 20 13.729 8.395 16.697 1.00 28.91 N +ATOM 151 CA VAL A 20 13.795 7.639 17.925 1.00 26.47 C +ATOM 152 C VAL A 20 14.552 6.317 17.779 1.00 26.95 C +ATOM 153 O VAL A 20 14.713 5.808 16.674 1.00 28.86 O +ATOM 154 CB VAL A 20 12.349 7.357 18.426 1.00 24.52 C +ATOM 155 CG1 VAL A 20 11.529 8.640 18.399 1.00 20.56 C +ATOM 156 CG2 VAL A 20 11.689 6.301 17.555 1.00 23.59 C +ATOM 157 N PRO A 21 15.075 5.775 18.899 1.00 25.08 N +ATOM 158 CA PRO A 21 15.802 4.499 18.860 1.00 25.60 C +ATOM 159 C PRO A 21 14.828 3.402 18.411 1.00 26.23 C +ATOM 160 O PRO A 21 13.619 3.547 18.577 1.00 26.10 O +ATOM 161 CB PRO A 21 16.246 4.296 20.310 1.00 23.60 C +ATOM 162 CG PRO A 21 16.203 5.640 20.920 1.00 20.68 C +ATOM 163 CD PRO A 21 15.079 6.349 20.254 1.00 25.19 C +ATOM 164 N GLU A 22 15.352 2.310 17.856 1.00 26.06 N +ATOM 165 CA GLU A 22 14.512 1.213 17.378 1.00 23.58 C +ATOM 166 C GLU A 22 13.692 0.500 18.441 1.00 23.84 C +ATOM 167 O GLU A 22 12.733 -0.195 18.115 1.00 24.41 O +ATOM 168 CB GLU A 22 15.357 0.177 16.668 1.00 25.23 C +ATOM 169 CG GLU A 22 16.568 0.718 15.978 1.00 28.24 C +ATOM 170 CD GLU A 22 17.418 -0.398 15.433 1.00 32.26 C +ATOM 171 OE1 GLU A 22 18.155 -1.020 16.241 1.00 32.36 O +ATOM 172 OE2 GLU A 22 17.330 -0.653 14.205 1.00 31.75 O +ATOM 173 N ARG A 23 14.067 0.644 19.707 1.00 22.85 N +ATOM 174 CA ARG A 23 13.314 -0.016 20.766 1.00 23.02 C +ATOM 175 C ARG A 23 11.860 0.442 20.785 1.00 24.04 C +ATOM 176 O ARG A 23 10.977 -0.310 21.175 1.00 24.40 O +ATOM 177 CB ARG A 23 13.950 0.259 22.124 1.00 21.59 C +ATOM 178 CG ARG A 23 13.873 1.694 22.560 1.00 18.64 C +ATOM 179 CD ARG A 23 14.584 1.852 23.863 1.00 20.35 C +ATOM 180 NE ARG A 23 13.784 1.402 24.997 1.00 21.20 N +ATOM 181 CZ ARG A 23 14.116 1.646 26.263 1.00 25.75 C +ATOM 182 NH1 ARG A 23 15.225 2.326 26.518 1.00 23.27 N +ATOM 183 NH2 ARG A 23 13.342 1.241 27.268 1.00 24.94 N +ATOM 184 N TYR A 24 11.619 1.685 20.376 1.00 24.95 N +ATOM 185 CA TYR A 24 10.266 2.236 20.335 1.00 24.95 C +ATOM 186 C TYR A 24 9.628 1.959 18.992 1.00 25.17 C +ATOM 187 O TYR A 24 10.046 2.477 17.949 1.00 21.10 O +ATOM 188 CB TYR A 24 10.295 3.731 20.605 1.00 23.29 C +ATOM 189 CG TYR A 24 10.910 4.032 21.938 1.00 22.32 C +ATOM 190 CD1 TYR A 24 10.333 3.553 23.110 1.00 21.04 C +ATOM 191 CD2 TYR A 24 12.097 4.749 22.029 1.00 19.63 C +ATOM 192 CE1 TYR A 24 10.926 3.778 24.338 1.00 22.58 C +ATOM 193 CE2 TYR A 24 12.700 4.981 23.250 1.00 18.51 C +ATOM 194 CZ TYR A 24 12.112 4.493 24.399 1.00 20.28 C +ATOM 195 OH TYR A 24 12.711 4.718 25.611 1.00 24.02 O +ATOM 196 N GLN A 25 8.591 1.141 19.034 1.00 25.63 N +ATOM 197 CA GLN A 25 7.913 0.734 17.832 1.00 28.64 C +ATOM 198 C GLN A 25 6.443 1.124 17.781 1.00 33.27 C +ATOM 199 O GLN A 25 5.821 1.461 18.810 1.00 33.80 O +ATOM 200 CB GLN A 25 8.056 -0.784 17.702 1.00 26.91 C +ATOM 201 CG GLN A 25 9.479 -1.233 17.409 1.00 23.89 C +ATOM 202 CD GLN A 25 9.951 -0.755 16.045 1.00 21.58 C +ATOM 203 OE1 GLN A 25 9.220 -0.848 15.055 1.00 23.62 O +ATOM 204 NE2 GLN A 25 11.172 -0.234 15.986 1.00 19.49 N +ATOM 205 N ASN A 26 5.900 1.085 16.566 1.00 34.85 N +ATOM 206 CA ASN A 26 4.499 1.369 16.330 1.00 38.83 C +ATOM 207 C ASN A 26 4.056 2.644 17.022 1.00 38.34 C +ATOM 208 O ASN A 26 3.229 2.617 17.932 1.00 37.95 O +ATOM 209 CB ASN A 26 3.656 0.167 16.804 1.00 43.38 C +ATOM 210 CG ASN A 26 4.194 -1.188 16.271 1.00 47.10 C +ATOM 211 OD1 ASN A 26 4.710 -1.276 15.144 1.00 45.05 O +ATOM 212 ND2 ASN A 26 4.075 -2.238 17.087 1.00 45.13 N +ATOM 213 N LEU A 27 4.633 3.756 16.572 1.00 38.80 N +ATOM 214 CA LEU A 27 4.325 5.079 17.103 1.00 37.76 C +ATOM 215 C LEU A 27 3.060 5.623 16.456 1.00 39.18 C +ATOM 216 O LEU A 27 2.940 5.634 15.229 1.00 38.21 O +ATOM 217 CB LEU A 27 5.467 6.052 16.796 1.00 35.39 C +ATOM 218 CG LEU A 27 6.756 5.994 17.608 1.00 33.93 C +ATOM 219 CD1 LEU A 27 7.492 4.704 17.315 1.00 36.45 C +ATOM 220 CD2 LEU A 27 7.616 7.194 17.252 1.00 30.49 C +ATOM 221 N SER A 28 2.125 6.096 17.272 1.00 40.79 N +ATOM 222 CA SER A 28 0.886 6.662 16.743 1.00 41.76 C +ATOM 223 C SER A 28 0.596 7.992 17.432 1.00 41.86 C +ATOM 224 O SER A 28 0.510 8.057 18.657 1.00 41.26 O +ATOM 225 CB SER A 28 -0.290 5.698 16.953 1.00 41.43 C +ATOM 226 OG SER A 28 -0.205 5.033 18.198 1.00 41.91 O +ATOM 227 N PRO A 29 0.487 9.080 16.652 1.00 43.56 N +ATOM 228 CA PRO A 29 0.204 10.381 17.257 1.00 42.94 C +ATOM 229 C PRO A 29 -0.891 10.239 18.309 1.00 43.54 C +ATOM 230 O PRO A 29 -1.835 9.473 18.128 1.00 44.35 O +ATOM 231 CB PRO A 29 -0.211 11.235 16.061 1.00 43.07 C +ATOM 232 CG PRO A 29 0.599 10.671 14.926 1.00 41.24 C +ATOM 233 CD PRO A 29 0.637 9.180 15.185 1.00 43.34 C +ATOM 234 N VAL A 30 -0.754 10.968 19.411 1.00 43.87 N +ATOM 235 CA VAL A 30 -1.731 10.898 20.489 1.00 42.81 C +ATOM 236 C VAL A 30 -1.960 12.288 21.119 1.00 45.53 C +ATOM 237 O VAL A 30 -2.721 12.437 22.075 1.00 46.10 O +ATOM 238 CB VAL A 30 -1.268 9.831 21.537 1.00 40.72 C +ATOM 239 CG1 VAL A 30 -0.962 10.464 22.874 1.00 39.55 C +ATOM 240 CG2 VAL A 30 -2.317 8.747 21.668 1.00 40.61 C +ATOM 241 N GLY A 31 -1.328 13.309 20.540 1.00 47.10 N +ATOM 242 CA GLY A 31 -1.470 14.660 21.051 1.00 46.27 C +ATOM 243 C GLY A 31 -0.422 15.635 20.538 1.00 48.73 C +ATOM 244 O GLY A 31 0.710 15.254 20.244 1.00 46.58 O +ATOM 245 N SER A 32 -0.806 16.904 20.431 1.00 53.03 N +ATOM 246 CA SER A 32 0.111 17.945 19.961 1.00 56.14 C +ATOM 247 C SER A 32 -0.172 19.302 20.602 1.00 57.86 C +ATOM 248 O SER A 32 -1.123 19.452 21.373 1.00 58.36 O +ATOM 249 CB SER A 32 0.048 18.081 18.441 1.00 54.78 C +ATOM 250 OG SER A 32 1.285 18.559 17.940 1.00 55.77 O +ATOM 251 N GLY A 33 0.665 20.282 20.276 1.00 59.96 N +ATOM 252 CA GLY A 33 0.496 21.612 20.831 1.00 62.91 C +ATOM 253 C GLY A 33 1.774 22.435 20.822 1.00 65.12 C +ATOM 254 O GLY A 33 2.776 22.041 20.220 1.00 65.23 O +ATOM 255 N ALA A 34 1.737 23.584 21.490 1.00 67.56 N +ATOM 256 CA ALA A 34 2.898 24.471 21.548 1.00 69.27 C +ATOM 257 C ALA A 34 4.121 23.789 22.176 1.00 70.48 C +ATOM 258 O ALA A 34 5.257 23.992 21.727 1.00 70.19 O +ATOM 259 CB ALA A 34 2.543 25.720 22.325 1.00 67.58 C +ATOM 260 N TYR A 35 3.877 22.982 23.208 1.00 70.57 N +ATOM 261 CA TYR A 35 4.932 22.262 23.935 1.00 71.12 C +ATOM 262 C TYR A 35 5.719 21.257 23.084 1.00 68.30 C +ATOM 263 O TYR A 35 6.898 21.005 23.346 1.00 67.53 O +ATOM 264 CB TYR A 35 4.317 21.513 25.119 1.00 74.67 C +ATOM 265 CG TYR A 35 3.327 20.450 24.695 1.00 80.34 C +ATOM 266 CD1 TYR A 35 1.997 20.776 24.411 1.00 82.07 C +ATOM 267 CD2 TYR A 35 3.714 19.111 24.585 1.00 82.34 C +ATOM 268 CE1 TYR A 35 1.074 19.788 24.031 1.00 83.26 C +ATOM 269 CE2 TYR A 35 2.799 18.118 24.206 1.00 82.71 C +ATOM 270 CZ TYR A 35 1.485 18.463 23.933 1.00 82.98 C +ATOM 271 OH TYR A 35 0.583 17.489 23.572 1.00 82.06 O +ATOM 272 N GLY A 36 5.047 20.689 22.080 1.00 64.80 N +ATOM 273 CA GLY A 36 5.640 19.696 21.194 1.00 59.39 C +ATOM 274 C GLY A 36 4.554 18.701 20.812 1.00 55.21 C +ATOM 275 O GLY A 36 3.410 19.102 20.611 1.00 56.82 O +ATOM 276 N SER A 37 4.885 17.417 20.702 1.00 50.88 N +ATOM 277 CA SER A 37 3.886 16.401 20.359 1.00 45.78 C +ATOM 278 C SER A 37 4.089 15.164 21.204 1.00 41.60 C +ATOM 279 O SER A 37 5.182 14.933 21.702 1.00 42.36 O +ATOM 280 CB SER A 37 3.983 16.010 18.886 1.00 43.98 C +ATOM 281 OG SER A 37 4.968 16.784 18.230 1.00 47.19 O +ATOM 282 N VAL A 38 3.033 14.375 21.374 1.00 38.77 N +ATOM 283 CA VAL A 38 3.114 13.139 22.149 1.00 36.20 C +ATOM 284 C VAL A 38 2.683 11.956 21.280 1.00 37.80 C +ATOM 285 O VAL A 38 1.763 12.055 20.461 1.00 37.14 O +ATOM 286 CB VAL A 38 2.234 13.175 23.427 1.00 32.58 C +ATOM 287 CG1 VAL A 38 2.176 11.780 24.063 1.00 27.47 C +ATOM 288 CG2 VAL A 38 2.807 14.174 24.417 1.00 28.30 C +ATOM 289 N CYS A 39 3.366 10.834 21.465 1.00 36.34 N +ATOM 290 CA CYS A 39 3.074 9.639 20.704 1.00 32.98 C +ATOM 291 C CYS A 39 2.885 8.489 21.641 1.00 32.11 C +ATOM 292 O CYS A 39 3.355 8.509 22.781 1.00 31.75 O +ATOM 293 CB CYS A 39 4.233 9.297 19.783 1.00 31.47 C +ATOM 294 SG CYS A 39 3.964 9.834 18.122 1.00 42.22 S +ATOM 295 N ALA A 40 2.184 7.483 21.149 1.00 30.77 N +ATOM 296 CA ALA A 40 1.981 6.264 21.898 1.00 28.27 C +ATOM 297 C ALA A 40 2.889 5.314 21.116 1.00 29.18 C +ATOM 298 O ALA A 40 2.974 5.389 19.881 1.00 27.24 O +ATOM 299 CB ALA A 40 0.533 5.812 21.815 1.00 27.77 C +ATOM 300 N ALA A 41 3.601 4.453 21.827 1.00 26.52 N +ATOM 301 CA ALA A 41 4.482 3.512 21.174 1.00 25.52 C +ATOM 302 C ALA A 41 4.641 2.314 22.085 1.00 26.51 C +ATOM 303 O ALA A 41 4.163 2.301 23.229 1.00 24.36 O +ATOM 304 CB ALA A 41 5.840 4.151 20.906 1.00 18.93 C +ATOM 305 N PHE A 42 5.292 1.290 21.553 1.00 27.53 N +ATOM 306 CA PHE A 42 5.561 0.107 22.329 1.00 26.46 C +ATOM 307 C PHE A 42 7.065 0.074 22.574 1.00 25.30 C +ATOM 308 O PHE A 42 7.856 0.141 21.627 1.00 25.64 O +ATOM 309 CB PHE A 42 5.138 -1.157 21.578 1.00 29.25 C +ATOM 310 CG PHE A 42 5.394 -2.412 22.354 1.00 31.10 C +ATOM 311 CD1 PHE A 42 4.793 -2.599 23.603 1.00 33.53 C +ATOM 312 CD2 PHE A 42 6.303 -3.356 21.892 1.00 31.68 C +ATOM 313 CE1 PHE A 42 5.096 -3.700 24.391 1.00 34.44 C +ATOM 314 CE2 PHE A 42 6.620 -4.468 22.669 1.00 37.63 C +ATOM 315 CZ PHE A 42 6.014 -4.641 23.929 1.00 37.63 C +ATOM 316 N ASP A 43 7.461 -0.023 23.836 1.00 22.96 N +ATOM 317 CA ASP A 43 8.867 -0.073 24.191 1.00 23.21 C +ATOM 318 C ASP A 43 9.309 -1.544 24.247 1.00 24.10 C +ATOM 319 O ASP A 43 9.019 -2.266 25.205 1.00 21.83 O +ATOM 320 CB ASP A 43 9.050 0.605 25.543 1.00 24.38 C +ATOM 321 CG ASP A 43 10.460 0.505 26.061 1.00 30.71 C +ATOM 322 OD1 ASP A 43 11.376 0.142 25.284 1.00 29.40 O +ATOM 323 OD2 ASP A 43 10.653 0.792 27.259 1.00 32.85 O +ATOM 324 N THR A 44 10.014 -1.989 23.213 1.00 28.15 N +ATOM 325 CA THR A 44 10.465 -3.376 23.135 1.00 27.66 C +ATOM 326 C THR A 44 11.366 -3.839 24.282 1.00 30.59 C +ATOM 327 O THR A 44 11.338 -5.014 24.639 1.00 31.82 O +ATOM 328 CB THR A 44 11.186 -3.661 21.780 1.00 27.74 C +ATOM 329 OG1 THR A 44 12.425 -2.937 21.724 1.00 29.17 O +ATOM 330 CG2 THR A 44 10.290 -3.264 20.599 1.00 23.19 C +ATOM 331 N LYS A 45 12.160 -2.942 24.865 1.00 33.42 N +ATOM 332 CA LYS A 45 13.039 -3.349 25.961 1.00 38.73 C +ATOM 333 C LYS A 45 12.360 -3.527 27.326 1.00 39.22 C +ATOM 334 O LYS A 45 12.831 -4.313 28.142 1.00 39.87 O +ATOM 335 CB LYS A 45 14.236 -2.392 26.105 1.00 42.52 C +ATOM 336 CG LYS A 45 15.224 -2.812 27.221 1.00 53.82 C +ATOM 337 CD LYS A 45 16.387 -1.817 27.411 1.00 58.77 C +ATOM 338 CE LYS A 45 16.562 -1.326 28.872 1.00 59.58 C +ATOM 339 NZ LYS A 45 17.480 -0.129 28.914 1.00 59.79 N +ATOM 340 N THR A 46 11.275 -2.801 27.588 1.00 40.76 N +ATOM 341 CA THR A 46 10.560 -2.940 28.863 1.00 41.10 C +ATOM 342 C THR A 46 9.178 -3.568 28.674 1.00 43.18 C +ATOM 343 O THR A 46 8.527 -3.961 29.637 1.00 44.57 O +ATOM 344 CB THR A 46 10.373 -1.583 29.596 1.00 40.49 C +ATOM 345 OG1 THR A 46 9.361 -0.810 28.939 1.00 39.22 O +ATOM 346 CG2 THR A 46 11.677 -0.814 29.646 1.00 39.47 C +ATOM 347 N GLY A 47 8.739 -3.677 27.428 1.00 44.69 N +ATOM 348 CA GLY A 47 7.443 -4.267 27.163 1.00 47.34 C +ATOM 349 C GLY A 47 6.266 -3.392 27.551 1.00 50.00 C +ATOM 350 O GLY A 47 5.134 -3.850 27.539 1.00 51.89 O +ATOM 351 N LEU A 48 6.531 -2.136 27.903 1.00 53.06 N +ATOM 352 CA LEU A 48 5.484 -1.198 28.278 1.00 38.84 C +ATOM 353 C LEU A 48 4.944 -0.382 27.121 1.00 38.39 C +ATOM 354 O LEU A 48 5.613 -0.220 26.100 1.00 37.53 O +ATOM 355 CB LEU A 48 6.036 -0.240 29.334 1.00 40.88 C +ATOM 356 CG LEU A 48 6.837 -0.726 30.534 1.00 43.34 C +ATOM 357 CD1 LEU A 48 7.527 0.480 31.181 1.00 20.00 C +ATOM 358 CD2 LEU A 48 5.928 -1.439 31.501 1.00 44.86 C +ATOM 359 N ARG A 49 3.727 0.107 27.243 1.00 46.80 N +ATOM 360 CA ARG A 49 3.133 0.962 26.230 1.00 44.58 C +ATOM 361 C ARG A 49 3.553 2.287 26.857 1.00 40.50 C +ATOM 362 O ARG A 49 3.251 2.565 28.030 1.00 37.39 O +ATOM 363 CB ARG A 49 1.616 0.822 26.205 1.00 49.12 C +ATOM 364 CG ARG A 49 1.145 -0.617 26.046 1.00 54.50 C +ATOM 365 CD ARG A 49 0.853 -0.951 24.587 1.00 60.28 C +ATOM 366 NE ARG A 49 1.119 0.166 23.675 1.00 63.29 N +ATOM 367 CZ ARG A 49 1.301 0.026 22.362 1.00 66.65 C +ATOM 368 NH1 ARG A 49 1.253 -1.186 21.802 1.00 66.82 N +ATOM 369 NH2 ARG A 49 1.537 1.092 21.604 1.00 64.21 N +ATOM 370 N VAL A 50 4.297 3.075 26.097 1.00 34.84 N +ATOM 371 CA VAL A 50 4.801 4.329 26.608 1.00 29.03 C +ATOM 372 C VAL A 50 4.293 5.535 25.833 1.00 28.60 C +ATOM 373 O VAL A 50 3.711 5.403 24.764 1.00 27.12 O +ATOM 374 CB VAL A 50 6.362 4.334 26.568 1.00 25.91 C +ATOM 375 CG1 VAL A 50 6.927 3.375 27.606 1.00 22.01 C +ATOM 376 CG2 VAL A 50 6.839 3.948 25.187 1.00 23.22 C +ATOM 377 N ALA A 51 4.500 6.710 26.409 1.00 28.15 N +ATOM 378 CA ALA A 51 4.147 7.954 25.772 1.00 26.18 C +ATOM 379 C ALA A 51 5.517 8.576 25.493 1.00 28.95 C +ATOM 380 O ALA A 51 6.366 8.640 26.390 1.00 32.02 O +ATOM 381 CB ALA A 51 3.343 8.827 26.725 1.00 22.35 C +ATOM 382 N VAL A 52 5.765 8.973 24.250 1.00 26.78 N +ATOM 383 CA VAL A 52 7.026 9.614 23.929 1.00 26.45 C +ATOM 384 C VAL A 52 6.664 11.035 23.558 1.00 27.36 C +ATOM 385 O VAL A 52 5.901 11.264 22.618 1.00 26.60 O +ATOM 386 CB VAL A 52 7.738 8.965 22.727 1.00 27.95 C +ATOM 387 CG1 VAL A 52 8.979 9.770 22.354 1.00 23.91 C +ATOM 388 CG2 VAL A 52 8.123 7.557 23.068 1.00 28.39 C +ATOM 389 N LYS A 53 7.186 11.987 24.320 1.00 26.32 N +ATOM 390 CA LYS A 53 6.923 13.382 24.046 1.00 25.09 C +ATOM 391 C LYS A 53 8.168 14.021 23.450 1.00 25.92 C +ATOM 392 O LYS A 53 9.275 13.870 23.975 1.00 24.50 O +ATOM 393 CB LYS A 53 6.513 14.123 25.328 1.00 27.97 C +ATOM 394 CG LYS A 53 6.367 15.661 25.155 1.00 32.51 C +ATOM 395 CD LYS A 53 5.838 16.356 26.414 1.00 34.34 C +ATOM 396 CE LYS A 53 6.709 16.022 27.632 1.00 40.70 C +ATOM 397 NZ LYS A 53 6.127 16.460 28.950 1.00 43.12 N +ATOM 398 N LYS A 54 7.977 14.709 22.332 1.00 24.48 N +ATOM 399 CA LYS A 54 9.054 15.427 21.665 1.00 26.30 C +ATOM 400 C LYS A 54 8.856 16.919 21.978 1.00 29.45 C +ATOM 401 O LYS A 54 7.842 17.512 21.612 1.00 28.90 O +ATOM 402 CB LYS A 54 8.989 15.216 20.153 1.00 24.87 C +ATOM 403 CG LYS A 54 10.086 15.944 19.432 1.00 22.19 C +ATOM 404 CD LYS A 54 9.989 15.787 17.952 1.00 23.29 C +ATOM 405 CE LYS A 54 11.109 16.559 17.316 1.00 26.58 C +ATOM 406 NZ LYS A 54 11.199 16.358 15.846 1.00 30.13 N +ATOM 407 N LEU A 55 9.802 17.533 22.670 1.00 30.76 N +ATOM 408 CA LEU A 55 9.635 18.932 22.987 1.00 36.06 C +ATOM 409 C LEU A 55 9.948 19.752 21.753 1.00 41.89 C +ATOM 410 O LEU A 55 11.015 19.610 21.165 1.00 41.66 O +ATOM 411 CB LEU A 55 10.533 19.314 24.158 1.00 33.28 C +ATOM 412 CG LEU A 55 10.227 18.486 25.411 1.00 30.21 C +ATOM 413 CD1 LEU A 55 11.261 18.790 26.477 1.00 30.25 C +ATOM 414 CD2 LEU A 55 8.818 18.774 25.906 1.00 27.26 C +ATOM 415 N SER A 56 8.988 20.589 21.361 1.00 49.99 N +ATOM 416 CA SER A 56 9.075 21.465 20.176 1.00 59.49 C +ATOM 417 C SER A 56 10.484 21.999 19.851 1.00 62.78 C +ATOM 418 O SER A 56 11.214 21.431 19.015 1.00 63.87 O +ATOM 419 CB SER A 56 8.111 22.647 20.357 1.00 59.73 C +ATOM 420 OG SER A 56 8.383 23.325 21.577 1.00 65.40 O +ATOM 421 N ARG A 57 10.819 23.114 20.502 1.00 63.96 N +ATOM 422 CA ARG A 57 12.107 23.794 20.391 1.00 64.83 C +ATOM 423 C ARG A 57 12.252 24.278 21.830 1.00 60.73 C +ATOM 424 O ARG A 57 11.814 25.370 22.181 1.00 60.62 O +ATOM 425 CB ARG A 57 12.018 24.974 19.420 1.00 70.88 C +ATOM 426 CG ARG A 57 12.415 24.619 17.976 1.00 78.76 C +ATOM 427 CD ARG A 57 13.726 23.820 17.908 1.00 83.99 C +ATOM 428 NE ARG A 57 13.821 22.984 16.706 1.00 89.76 N +ATOM 429 CZ ARG A 57 14.133 23.439 15.491 1.00 92.27 C +ATOM 430 NH1 ARG A 57 14.381 24.734 15.304 1.00 92.20 N +ATOM 431 NH2 ARG A 57 14.189 22.599 14.458 1.00 91.91 N +ATOM 432 N PRO A 58 12.872 23.449 22.682 1.00 56.15 N +ATOM 433 CA PRO A 58 13.113 23.670 24.110 1.00 54.40 C +ATOM 434 C PRO A 58 14.015 24.810 24.540 1.00 53.95 C +ATOM 435 O PRO A 58 13.846 25.355 25.627 1.00 54.01 O +ATOM 436 CB PRO A 58 13.659 22.328 24.585 1.00 54.75 C +ATOM 437 CG PRO A 58 14.323 21.758 23.380 1.00 52.54 C +ATOM 438 CD PRO A 58 13.471 22.182 22.222 1.00 53.20 C +ATOM 439 N PHE A 59 14.975 25.166 23.698 1.00 53.39 N +ATOM 440 CA PHE A 59 15.916 26.219 24.044 1.00 51.71 C +ATOM 441 C PHE A 59 15.754 27.471 23.200 1.00 54.81 C +ATOM 442 O PHE A 59 16.737 28.027 22.715 1.00 56.63 O +ATOM 443 CB PHE A 59 17.333 25.674 23.903 1.00 46.95 C +ATOM 444 CG PHE A 59 17.474 24.249 24.355 1.00 41.47 C +ATOM 445 CD1 PHE A 59 17.237 23.902 25.680 1.00 37.96 C +ATOM 446 CD2 PHE A 59 17.810 23.251 23.456 1.00 39.32 C +ATOM 447 CE1 PHE A 59 17.331 22.589 26.097 1.00 37.54 C +ATOM 448 CE2 PHE A 59 17.905 21.932 23.868 1.00 38.73 C +ATOM 449 CZ PHE A 59 17.665 21.601 25.188 1.00 38.14 C +ATOM 450 N GLN A 60 14.513 27.925 23.041 1.00 56.15 N +ATOM 451 CA GLN A 60 14.236 29.114 22.243 1.00 57.56 C +ATOM 452 C GLN A 60 14.258 30.417 23.038 1.00 56.27 C +ATOM 453 O GLN A 60 14.031 31.498 22.488 1.00 57.60 O +ATOM 454 CB GLN A 60 12.883 28.968 21.542 1.00 61.21 C +ATOM 455 CG GLN A 60 11.691 29.379 22.385 1.00 65.02 C +ATOM 456 CD GLN A 60 10.529 28.424 22.228 1.00 68.64 C +ATOM 457 OE1 GLN A 60 9.654 28.343 23.094 1.00 69.44 O +ATOM 458 NE2 GLN A 60 10.516 27.685 21.114 1.00 71.02 N +ATOM 459 N SER A 61 14.521 30.311 24.331 1.00 52.99 N +ATOM 460 CA SER A 61 14.577 31.482 25.186 1.00 48.86 C +ATOM 461 C SER A 61 15.160 31.005 26.494 1.00 47.75 C +ATOM 462 O SER A 61 15.171 29.805 26.766 1.00 46.37 O +ATOM 463 CB SER A 61 13.174 32.063 25.395 1.00 47.18 C +ATOM 464 OG SER A 61 12.475 31.376 26.414 1.00 46.63 O +ATOM 465 N ILE A 62 15.657 31.931 27.299 1.00 46.35 N +ATOM 466 CA ILE A 62 16.246 31.546 28.562 1.00 46.02 C +ATOM 467 C ILE A 62 15.190 30.895 29.463 1.00 47.84 C +ATOM 468 O ILE A 62 15.489 29.953 30.209 1.00 47.71 O +ATOM 469 CB ILE A 62 16.917 32.770 29.228 1.00 45.39 C +ATOM 470 CG1 ILE A 62 18.400 32.753 28.865 1.00 46.76 C +ATOM 471 CG2 ILE A 62 16.718 32.764 30.746 1.00 44.28 C +ATOM 472 CD1 ILE A 62 19.145 34.014 29.208 1.00 50.83 C +ATOM 473 N ILE A 63 13.950 31.371 29.366 1.00 48.27 N +ATOM 474 CA ILE A 63 12.861 30.832 30.171 1.00 49.15 C +ATOM 475 C ILE A 63 12.435 29.425 29.716 1.00 47.97 C +ATOM 476 O ILE A 63 12.120 28.564 30.544 1.00 47.83 O +ATOM 477 CB ILE A 63 11.652 31.817 30.175 1.00 51.34 C +ATOM 478 CG1 ILE A 63 11.798 32.795 31.342 1.00 54.50 C +ATOM 479 CG2 ILE A 63 10.348 31.075 30.344 1.00 50.65 C +ATOM 480 CD1 ILE A 63 11.770 32.118 32.735 1.00 57.76 C +ATOM 481 N HIS A 64 12.432 29.185 28.408 1.00 47.18 N +ATOM 482 CA HIS A 64 12.058 27.866 27.899 1.00 46.60 C +ATOM 483 C HIS A 64 13.147 26.857 28.210 1.00 44.50 C +ATOM 484 O HIS A 64 12.857 25.763 28.692 1.00 44.56 O +ATOM 485 CB HIS A 64 11.810 27.910 26.391 1.00 50.30 C +ATOM 486 CG HIS A 64 10.457 28.435 26.031 1.00 55.93 C +ATOM 487 ND1 HIS A 64 10.263 29.687 25.487 1.00 58.84 N +ATOM 488 CD2 HIS A 64 9.223 27.915 26.226 1.00 57.29 C +ATOM 489 CE1 HIS A 64 8.967 29.919 25.367 1.00 58.81 C +ATOM 490 NE2 HIS A 64 8.316 28.859 25.809 1.00 60.26 N +ATOM 491 N ALA A 65 14.398 27.229 27.936 1.00 40.79 N +ATOM 492 CA ALA A 65 15.540 26.352 28.209 1.00 37.75 C +ATOM 493 C ALA A 65 15.601 26.022 29.705 1.00 36.27 C +ATOM 494 O ALA A 65 16.076 24.952 30.103 1.00 36.05 O +ATOM 495 CB ALA A 65 16.844 27.020 27.754 1.00 33.77 C +ATOM 496 N LYS A 66 15.108 26.944 30.527 1.00 33.93 N +ATOM 497 CA LYS A 66 15.089 26.746 31.972 1.00 33.80 C +ATOM 498 C LYS A 66 13.997 25.756 32.372 1.00 32.00 C +ATOM 499 O LYS A 66 14.227 24.846 33.176 1.00 29.30 O +ATOM 500 CB LYS A 66 14.852 28.080 32.698 1.00 31.83 C +ATOM 501 CG LYS A 66 15.682 28.233 33.947 1.00 27.63 C +ATOM 502 CD LYS A 66 14.911 28.860 35.090 1.00 31.33 C +ATOM 503 CE LYS A 66 15.712 28.783 36.385 1.00 29.62 C +ATOM 504 NZ LYS A 66 15.300 29.757 37.433 1.00 32.90 N +ATOM 505 N ARG A 67 12.809 25.947 31.800 1.00 34.56 N +ATOM 506 CA ARG A 67 11.658 25.094 32.094 1.00 36.72 C +ATOM 507 C ARG A 67 11.955 23.653 31.641 1.00 33.51 C +ATOM 508 O ARG A 67 11.547 22.684 32.295 1.00 31.58 O +ATOM 509 CB ARG A 67 10.403 25.693 31.423 1.00 38.13 C +ATOM 510 CG ARG A 67 9.579 24.737 30.595 1.00 49.36 C +ATOM 511 CD ARG A 67 10.118 24.617 29.154 1.00 56.47 C +ATOM 512 NE ARG A 67 9.272 23.777 28.300 1.00 59.76 N +ATOM 513 CZ ARG A 67 8.899 22.526 28.592 1.00 62.37 C +ATOM 514 NH1 ARG A 67 9.290 21.937 29.719 1.00 58.93 N +ATOM 515 NH2 ARG A 67 8.117 21.858 27.747 1.00 65.82 N +ATOM 516 N THR A 68 12.690 23.534 30.532 1.00 31.82 N +ATOM 517 CA THR A 68 13.103 22.242 29.978 1.00 29.20 C +ATOM 518 C THR A 68 14.055 21.561 30.968 1.00 29.93 C +ATOM 519 O THR A 68 13.896 20.379 31.294 1.00 28.94 O +ATOM 520 CB THR A 68 13.862 22.413 28.650 1.00 28.47 C +ATOM 521 OG1 THR A 68 13.072 23.169 27.725 1.00 27.22 O +ATOM 522 CG2 THR A 68 14.209 21.055 28.062 1.00 23.82 C +ATOM 523 N TYR A 69 15.061 22.307 31.427 1.00 30.25 N +ATOM 524 CA TYR A 69 16.008 21.775 32.400 1.00 29.68 C +ATOM 525 C TYR A 69 15.221 21.368 33.647 1.00 28.42 C +ATOM 526 O TYR A 69 15.409 20.277 34.192 1.00 28.48 O +ATOM 527 CB TYR A 69 17.061 22.826 32.776 1.00 29.19 C +ATOM 528 CG TYR A 69 18.048 22.305 33.795 1.00 27.60 C +ATOM 529 CD1 TYR A 69 18.965 21.298 33.462 1.00 29.78 C +ATOM 530 CD2 TYR A 69 18.019 22.758 35.112 1.00 27.71 C +ATOM 531 CE1 TYR A 69 19.821 20.749 34.418 1.00 27.38 C +ATOM 532 CE2 TYR A 69 18.867 22.218 36.076 1.00 27.82 C +ATOM 533 CZ TYR A 69 19.760 21.214 35.722 1.00 29.15 C +ATOM 534 OH TYR A 69 20.561 20.656 36.683 1.00 30.07 O +ATOM 535 N ARG A 70 14.324 22.246 34.085 1.00 27.66 N +ATOM 536 CA ARG A 70 13.514 21.975 35.261 1.00 26.62 C +ATOM 537 C ARG A 70 12.684 20.709 35.119 1.00 27.50 C +ATOM 538 O ARG A 70 12.602 19.901 36.059 1.00 27.67 O +ATOM 539 CB ARG A 70 12.576 23.139 35.547 1.00 26.57 C +ATOM 540 CG ARG A 70 11.614 22.848 36.691 1.00 28.39 C +ATOM 541 CD ARG A 70 10.586 23.954 36.855 1.00 28.23 C +ATOM 542 NE ARG A 70 11.235 25.178 37.288 1.00 28.83 N +ATOM 543 CZ ARG A 70 11.298 26.301 36.581 1.00 28.52 C +ATOM 544 NH1 ARG A 70 10.728 26.388 35.379 1.00 22.76 N +ATOM 545 NH2 ARG A 70 11.930 27.346 37.097 1.00 26.01 N +ATOM 546 N GLU A 71 12.059 20.527 33.958 1.00 25.87 N +ATOM 547 CA GLU A 71 11.229 19.346 33.771 1.00 26.79 C +ATOM 548 C GLU A 71 12.034 18.059 33.866 1.00 26.37 C +ATOM 549 O GLU A 71 11.659 17.136 34.595 1.00 24.31 O +ATOM 550 CB GLU A 71 10.483 19.391 32.437 1.00 30.17 C +ATOM 551 CG GLU A 71 9.241 18.494 32.458 1.00 39.77 C +ATOM 552 CD GLU A 71 8.568 18.306 31.093 1.00 45.26 C +ATOM 553 OE1 GLU A 71 8.946 19.010 30.119 1.00 47.79 O +ATOM 554 OE2 GLU A 71 7.653 17.445 30.999 1.00 47.86 O +ATOM 555 N LEU A 72 13.141 17.997 33.131 1.00 25.71 N +ATOM 556 CA LEU A 72 14.005 16.816 33.146 1.00 24.06 C +ATOM 557 C LEU A 72 14.487 16.495 34.563 1.00 23.18 C +ATOM 558 O LEU A 72 14.391 15.349 35.007 1.00 19.67 O +ATOM 559 CB LEU A 72 15.210 17.037 32.222 1.00 26.79 C +ATOM 560 CG LEU A 72 16.153 15.879 31.883 1.00 27.75 C +ATOM 561 CD1 LEU A 72 15.361 14.578 31.735 1.00 31.04 C +ATOM 562 CD2 LEU A 72 16.888 16.207 30.601 1.00 24.74 C +ATOM 563 N ARG A 73 15.013 17.500 35.270 1.00 22.46 N +ATOM 564 CA ARG A 73 15.494 17.293 36.639 1.00 23.20 C +ATOM 565 C ARG A 73 14.372 16.731 37.496 1.00 25.00 C +ATOM 566 O ARG A 73 14.540 15.719 38.177 1.00 28.64 O +ATOM 567 CB ARG A 73 15.992 18.604 37.261 1.00 20.46 C +ATOM 568 CG ARG A 73 17.312 19.131 36.681 1.00 19.94 C +ATOM 569 CD ARG A 73 18.537 18.435 37.246 1.00 17.45 C +ATOM 570 NE ARG A 73 18.388 18.173 38.670 1.00 20.53 N +ATOM 571 CZ ARG A 73 18.781 18.997 39.639 1.00 20.99 C +ATOM 572 NH1 ARG A 73 19.356 20.164 39.347 1.00 14.77 N +ATOM 573 NH2 ARG A 73 18.569 18.662 40.907 1.00 20.46 N +ATOM 574 N LEU A 74 13.213 17.380 37.457 1.00 26.57 N +ATOM 575 CA LEU A 74 12.064 16.915 38.237 1.00 25.18 C +ATOM 576 C LEU A 74 11.706 15.456 37.927 1.00 23.69 C +ATOM 577 O LEU A 74 11.653 14.615 38.827 1.00 22.05 O +ATOM 578 CB LEU A 74 10.861 17.812 37.958 1.00 27.42 C +ATOM 579 CG LEU A 74 10.780 19.086 38.789 1.00 28.89 C +ATOM 580 CD1 LEU A 74 9.695 19.982 38.202 1.00 31.06 C +ATOM 581 CD2 LEU A 74 10.490 18.738 40.252 1.00 25.75 C +ATOM 582 N LEU A 75 11.462 15.173 36.647 1.00 23.24 N +ATOM 583 CA LEU A 75 11.112 13.830 36.187 1.00 24.51 C +ATOM 584 C LEU A 75 12.238 12.819 36.474 1.00 23.56 C +ATOM 585 O LEU A 75 11.979 11.661 36.817 1.00 21.49 O +ATOM 586 CB LEU A 75 10.786 13.865 34.680 1.00 23.95 C +ATOM 587 CG LEU A 75 9.319 13.797 34.199 1.00 22.56 C +ATOM 588 CD1 LEU A 75 8.383 14.393 35.235 1.00 17.45 C +ATOM 589 CD2 LEU A 75 9.184 14.520 32.868 1.00 17.98 C +ATOM 590 N LYS A 76 13.482 13.265 36.347 1.00 21.71 N +ATOM 591 CA LYS A 76 14.603 12.392 36.622 1.00 21.63 C +ATOM 592 C LYS A 76 14.638 12.044 38.113 1.00 23.41 C +ATOM 593 O LYS A 76 15.075 10.963 38.489 1.00 28.14 O +ATOM 594 CB LYS A 76 15.915 13.053 36.193 1.00 20.42 C +ATOM 595 CG LYS A 76 16.349 12.690 34.774 1.00 21.18 C +ATOM 596 CD LYS A 76 17.736 13.209 34.417 1.00 18.52 C +ATOM 597 CE LYS A 76 18.798 12.411 35.124 1.00 18.63 C +ATOM 598 NZ LYS A 76 20.172 12.624 34.606 1.00 23.22 N +ATOM 599 N HIS A 77 14.150 12.935 38.968 1.00 23.97 N +ATOM 600 CA HIS A 77 14.162 12.675 40.401 1.00 24.82 C +ATOM 601 C HIS A 77 13.010 11.815 40.955 1.00 26.04 C +ATOM 602 O HIS A 77 13.223 10.986 41.837 1.00 26.52 O +ATOM 603 CB HIS A 77 14.205 14.002 41.154 1.00 27.93 C +ATOM 604 CG HIS A 77 14.653 13.875 42.578 1.00 34.40 C +ATOM 605 ND1 HIS A 77 13.768 13.762 43.632 1.00 36.90 N +ATOM 606 CD2 HIS A 77 15.894 13.828 43.122 1.00 36.91 C +ATOM 607 CE1 HIS A 77 14.445 13.651 44.763 1.00 36.83 C +ATOM 608 NE2 HIS A 77 15.736 13.688 44.480 1.00 37.82 N +ATOM 609 N MET A 78 11.799 12.015 40.440 1.00 25.55 N +ATOM 610 CA MET A 78 10.610 11.287 40.908 1.00 26.34 C +ATOM 611 C MET A 78 10.624 9.761 40.786 1.00 26.53 C +ATOM 612 O MET A 78 10.376 9.227 39.711 1.00 28.15 O +ATOM 613 CB MET A 78 9.365 11.817 40.191 1.00 26.30 C +ATOM 614 CG MET A 78 9.109 13.304 40.373 1.00 28.41 C +ATOM 615 SD MET A 78 8.760 13.713 42.084 1.00 34.64 S +ATOM 616 CE MET A 78 10.305 14.463 42.557 1.00 35.80 C +ATOM 617 N LYS A 79 10.878 9.063 41.892 1.00 27.16 N +ATOM 618 CA LYS A 79 10.903 7.594 41.888 1.00 25.98 C +ATOM 619 C LYS A 79 9.909 7.036 42.892 1.00 23.19 C +ATOM 620 O LYS A 79 10.298 6.495 43.924 1.00 21.59 O +ATOM 621 CB LYS A 79 12.307 7.068 42.221 1.00 27.61 C +ATOM 622 CG LYS A 79 13.444 7.862 41.588 1.00 35.37 C +ATOM 623 CD LYS A 79 13.850 7.305 40.235 1.00 37.96 C +ATOM 624 CE LYS A 79 15.370 7.231 40.091 1.00 43.77 C +ATOM 625 NZ LYS A 79 15.826 5.901 39.529 1.00 50.51 N +ATOM 626 N HIS A 80 8.625 7.146 42.574 1.00 21.18 N +ATOM 627 CA HIS A 80 7.571 6.687 43.470 1.00 20.53 C +ATOM 628 C HIS A 80 6.419 6.096 42.664 1.00 23.20 C +ATOM 629 O HIS A 80 6.073 6.621 41.617 1.00 20.53 O +ATOM 630 CB HIS A 80 7.074 7.882 44.305 1.00 19.36 C +ATOM 631 CG HIS A 80 6.121 7.513 45.397 1.00 17.24 C +ATOM 632 ND1 HIS A 80 6.502 7.446 46.720 1.00 18.96 N +ATOM 633 CD2 HIS A 80 4.809 7.189 45.365 1.00 14.61 C +ATOM 634 CE1 HIS A 80 5.464 7.090 47.455 1.00 17.02 C +ATOM 635 NE2 HIS A 80 4.426 6.928 46.656 1.00 18.80 N +ATOM 636 N GLU A 81 5.834 5.006 43.164 1.00 29.24 N +ATOM 637 CA GLU A 81 4.708 4.319 42.511 1.00 33.54 C +ATOM 638 C GLU A 81 3.547 5.255 42.150 1.00 33.56 C +ATOM 639 O GLU A 81 2.947 5.130 41.079 1.00 35.96 O +ATOM 640 CB GLU A 81 4.146 3.204 43.415 1.00 35.86 C +ATOM 641 CG GLU A 81 5.016 1.961 43.563 1.00 45.65 C +ATOM 642 CD GLU A 81 4.405 0.899 44.499 1.00 54.28 C +ATOM 643 OE1 GLU A 81 3.466 1.232 45.263 1.00 57.29 O +ATOM 644 OE2 GLU A 81 4.868 -0.274 44.475 1.00 58.05 O +ATOM 645 N ASN A 82 3.230 6.182 43.047 1.00 30.70 N +ATOM 646 CA ASN A 82 2.123 7.105 42.845 1.00 27.79 C +ATOM 647 C ASN A 82 2.460 8.448 42.220 1.00 26.38 C +ATOM 648 O ASN A 82 1.638 9.368 42.249 1.00 27.10 O +ATOM 649 CB ASN A 82 1.425 7.331 44.178 1.00 27.71 C +ATOM 650 CG ASN A 82 0.860 6.050 44.756 1.00 28.51 C +ATOM 651 OD1 ASN A 82 1.169 5.674 45.885 1.00 27.05 O +ATOM 652 ND2 ASN A 82 0.023 5.370 43.973 1.00 28.14 N +ATOM 653 N VAL A 83 3.657 8.561 41.653 1.00 25.88 N +ATOM 654 CA VAL A 83 4.103 9.806 41.021 1.00 26.30 C +ATOM 655 C VAL A 83 4.642 9.476 39.641 1.00 26.93 C +ATOM 656 O VAL A 83 5.216 8.409 39.454 1.00 29.79 O +ATOM 657 CB VAL A 83 5.231 10.480 41.826 1.00 24.72 C +ATOM 658 CG1 VAL A 83 5.565 11.841 41.206 1.00 19.89 C +ATOM 659 CG2 VAL A 83 4.814 10.626 43.288 1.00 20.95 C +ATOM 660 N ILE A 84 4.468 10.379 38.676 1.00 27.81 N +ATOM 661 CA ILE A 84 4.947 10.109 37.321 1.00 25.43 C +ATOM 662 C ILE A 84 6.466 9.986 37.303 1.00 25.74 C +ATOM 663 O ILE A 84 7.167 10.748 37.960 1.00 26.41 O +ATOM 664 CB ILE A 84 4.506 11.213 36.313 1.00 23.00 C +ATOM 665 CG1 ILE A 84 4.998 10.849 34.911 1.00 25.50 C +ATOM 666 CG2 ILE A 84 5.058 12.552 36.718 1.00 18.15 C +ATOM 667 CD1 ILE A 84 4.482 11.733 33.798 1.00 27.61 C +ATOM 668 N GLY A 85 6.966 9.009 36.555 1.00 28.34 N +ATOM 669 CA GLY A 85 8.399 8.805 36.467 1.00 27.51 C +ATOM 670 C GLY A 85 8.923 8.815 35.045 1.00 28.58 C +ATOM 671 O GLY A 85 8.163 8.753 34.076 1.00 26.88 O +ATOM 672 N LEU A 86 10.242 8.892 34.929 1.00 28.05 N +ATOM 673 CA LEU A 86 10.913 8.913 33.639 1.00 28.09 C +ATOM 674 C LEU A 86 11.421 7.517 33.307 1.00 29.27 C +ATOM 675 O LEU A 86 12.188 6.929 34.066 1.00 31.27 O +ATOM 676 CB LEU A 86 12.104 9.858 33.686 1.00 23.43 C +ATOM 677 CG LEU A 86 12.294 10.956 32.643 1.00 27.34 C +ATOM 678 CD1 LEU A 86 13.766 11.042 32.363 1.00 24.91 C +ATOM 679 CD2 LEU A 86 11.507 10.698 31.382 1.00 24.29 C +ATOM 680 N LEU A 87 10.988 6.983 32.177 1.00 28.70 N +ATOM 681 CA LEU A 87 11.451 5.677 31.766 1.00 27.65 C +ATOM 682 C LEU A 87 12.725 5.852 30.936 1.00 28.13 C +ATOM 683 O LEU A 87 13.655 5.047 31.029 1.00 28.48 O +ATOM 684 CB LEU A 87 10.380 4.991 30.931 1.00 28.89 C +ATOM 685 CG LEU A 87 9.375 4.130 31.686 1.00 29.75 C +ATOM 686 CD1 LEU A 87 8.557 3.325 30.684 1.00 31.12 C +ATOM 687 CD2 LEU A 87 10.104 3.209 32.650 1.00 29.24 C +ATOM 688 N ASP A 88 12.765 6.929 30.152 1.00 26.75 N +ATOM 689 CA ASP A 88 13.895 7.221 29.274 1.00 25.06 C +ATOM 690 C ASP A 88 13.879 8.685 28.796 1.00 25.88 C +ATOM 691 O ASP A 88 12.870 9.378 28.901 1.00 24.46 O +ATOM 692 CB ASP A 88 13.822 6.271 28.062 1.00 22.27 C +ATOM 693 CG ASP A 88 15.123 6.194 27.267 1.00 23.93 C +ATOM 694 OD1 ASP A 88 16.219 6.470 27.817 1.00 25.21 O +ATOM 695 OD2 ASP A 88 15.047 5.841 26.072 1.00 24.99 O +ATOM 696 N VAL A 89 15.029 9.134 28.301 1.00 27.18 N +ATOM 697 CA VAL A 89 15.218 10.468 27.733 1.00 28.76 C +ATOM 698 C VAL A 89 16.344 10.286 26.737 1.00 26.55 C +ATOM 699 O VAL A 89 17.363 9.639 27.045 1.00 23.87 O +ATOM 700 CB VAL A 89 15.689 11.531 28.750 1.00 32.03 C +ATOM 701 CG1 VAL A 89 16.082 12.828 28.013 1.00 30.55 C +ATOM 702 CG2 VAL A 89 14.586 11.840 29.688 1.00 41.21 C +ATOM 703 N PHE A 90 16.163 10.860 25.553 1.00 23.38 N +ATOM 704 CA PHE A 90 17.158 10.744 24.507 1.00 21.12 C +ATOM 705 C PHE A 90 17.130 11.929 23.559 1.00 20.77 C +ATOM 706 O PHE A 90 16.244 12.779 23.611 1.00 22.62 O +ATOM 707 CB PHE A 90 16.931 9.443 23.713 1.00 15.44 C +ATOM 708 CG PHE A 90 15.624 9.396 22.964 1.00 15.38 C +ATOM 709 CD1 PHE A 90 15.503 9.993 21.714 1.00 16.41 C +ATOM 710 CD2 PHE A 90 14.522 8.731 23.490 1.00 15.40 C +ATOM 711 CE1 PHE A 90 14.310 9.931 20.996 1.00 10.69 C +ATOM 712 CE2 PHE A 90 13.323 8.668 22.773 1.00 16.32 C +ATOM 713 CZ PHE A 90 13.227 9.272 21.521 1.00 11.42 C +ATOM 714 N THR A 91 18.140 11.980 22.707 1.00 23.54 N +ATOM 715 CA THR A 91 18.238 12.995 21.675 1.00 24.30 C +ATOM 716 C THR A 91 19.034 12.308 20.590 1.00 25.01 C +ATOM 717 O THR A 91 20.002 11.599 20.879 1.00 23.76 O +ATOM 718 CB THR A 91 19.007 14.272 22.111 1.00 26.34 C +ATOM 719 OG1 THR A 91 19.126 15.155 20.979 1.00 29.05 O +ATOM 720 CG2 THR A 91 20.402 13.932 22.631 1.00 22.07 C +ATOM 721 N PRO A 92 18.611 12.463 19.330 1.00 24.80 N +ATOM 722 CA PRO A 92 19.342 11.829 18.231 1.00 28.94 C +ATOM 723 C PRO A 92 20.721 12.489 17.992 1.00 34.42 C +ATOM 724 O PRO A 92 21.576 11.928 17.294 1.00 36.01 O +ATOM 725 CB PRO A 92 18.402 11.987 17.045 1.00 24.95 C +ATOM 726 CG PRO A 92 17.533 13.130 17.395 1.00 23.83 C +ATOM 727 CD PRO A 92 17.429 13.207 18.872 1.00 22.53 C +ATOM 728 N ALA A 93 20.922 13.670 18.587 1.00 37.35 N +ATOM 729 CA ALA A 93 22.169 14.432 18.470 1.00 38.93 C +ATOM 730 C ALA A 93 23.380 13.645 18.943 1.00 41.84 C +ATOM 731 O ALA A 93 23.342 13.003 19.991 1.00 43.88 O +ATOM 732 CB ALA A 93 22.062 15.725 19.259 1.00 35.18 C +ATOM 733 N ARG A 94 24.460 13.706 18.171 1.00 46.22 N +ATOM 734 CA ARG A 94 25.684 12.995 18.514 1.00 51.36 C +ATOM 735 C ARG A 94 26.631 13.857 19.360 1.00 53.43 C +ATOM 736 O ARG A 94 27.546 13.336 20.007 1.00 55.36 O +ATOM 737 CB ARG A 94 26.388 12.517 17.235 1.00 55.91 C +ATOM 738 CG ARG A 94 25.781 11.247 16.624 1.00 61.26 C +ATOM 739 CD ARG A 94 26.614 10.679 15.462 1.00 67.41 C +ATOM 740 NE ARG A 94 26.910 9.250 15.634 1.00 72.44 N +ATOM 741 CZ ARG A 94 26.502 8.281 14.810 1.00 74.88 C +ATOM 742 NH1 ARG A 94 25.772 8.575 13.739 1.00 75.38 N +ATOM 743 NH2 ARG A 94 26.827 7.012 15.054 1.00 73.96 N +ATOM 744 N SER A 95 26.407 15.170 19.362 1.00 53.57 N +ATOM 745 CA SER A 95 27.232 16.095 20.141 1.00 51.45 C +ATOM 746 C SER A 95 26.404 17.261 20.700 1.00 50.06 C +ATOM 747 O SER A 95 25.286 17.518 20.237 1.00 47.50 O +ATOM 748 CB SER A 95 28.366 16.648 19.269 1.00 52.79 C +ATOM 749 OG SER A 95 27.915 17.698 18.415 1.00 53.70 O +ATOM 750 N LEU A 96 26.955 17.957 21.695 1.00 47.15 N +ATOM 751 CA LEU A 96 26.272 19.098 22.295 1.00 47.33 C +ATOM 752 C LEU A 96 26.081 20.184 21.237 1.00 49.13 C +ATOM 753 O LEU A 96 25.188 21.025 21.342 1.00 47.71 O +ATOM 754 CB LEU A 96 27.093 19.661 23.461 1.00 45.10 C +ATOM 755 CG LEU A 96 26.734 21.071 23.952 1.00 43.05 C +ATOM 756 CD1 LEU A 96 25.352 21.081 24.590 1.00 43.27 C +ATOM 757 CD2 LEU A 96 27.762 21.526 24.947 1.00 39.92 C +ATOM 758 N GLU A 97 26.931 20.148 20.214 1.00 52.17 N +ATOM 759 CA GLU A 97 26.891 21.117 19.129 1.00 53.94 C +ATOM 760 C GLU A 97 25.572 21.034 18.384 1.00 54.81 C +ATOM 761 O GLU A 97 24.913 22.046 18.159 1.00 55.93 O +ATOM 762 CB GLU A 97 28.050 20.866 18.159 1.00 56.21 C +ATOM 763 CG GLU A 97 29.417 21.283 18.691 1.00 62.25 C +ATOM 764 CD GLU A 97 29.765 20.631 20.033 1.00 66.79 C +ATOM 765 OE1 GLU A 97 30.081 19.419 20.048 1.00 67.83 O +ATOM 766 OE2 GLU A 97 29.727 21.331 21.076 1.00 67.91 O +ATOM 767 N GLU A 98 25.185 19.818 18.018 1.00 55.84 N +ATOM 768 CA GLU A 98 23.946 19.603 17.281 1.00 55.51 C +ATOM 769 C GLU A 98 22.767 19.292 18.179 1.00 53.70 C +ATOM 770 O GLU A 98 21.664 19.055 17.692 1.00 55.85 O +ATOM 771 CB GLU A 98 24.119 18.463 16.277 1.00 57.92 C +ATOM 772 CG GLU A 98 24.957 17.307 16.788 1.00 60.72 C +ATOM 773 CD GLU A 98 24.753 16.044 15.969 1.00 64.82 C +ATOM 774 OE1 GLU A 98 23.665 15.893 15.370 1.00 66.03 O +ATOM 775 OE2 GLU A 98 25.678 15.202 15.922 1.00 65.42 O +ATOM 776 N PHE A 99 22.998 19.280 19.486 1.00 49.67 N +ATOM 777 CA PHE A 99 21.926 18.992 20.430 1.00 48.25 C +ATOM 778 C PHE A 99 20.829 20.062 20.383 1.00 50.90 C +ATOM 779 O PHE A 99 21.044 21.204 20.787 1.00 51.75 O +ATOM 780 CB PHE A 99 22.487 18.877 21.852 1.00 41.44 C +ATOM 781 CG PHE A 99 21.432 18.854 22.923 1.00 37.35 C +ATOM 782 CD1 PHE A 99 20.397 17.924 22.881 1.00 30.78 C +ATOM 783 CD2 PHE A 99 21.474 19.763 23.977 1.00 35.37 C +ATOM 784 CE1 PHE A 99 19.424 17.899 23.868 1.00 27.50 C +ATOM 785 CE2 PHE A 99 20.501 19.744 24.975 1.00 31.55 C +ATOM 786 CZ PHE A 99 19.476 18.812 24.921 1.00 29.19 C +ATOM 787 N ASN A 100 19.651 19.685 19.888 1.00 53.31 N +ATOM 788 CA ASN A 100 18.530 20.616 19.803 1.00 53.79 C +ATOM 789 C ASN A 100 17.193 19.972 20.172 1.00 51.46 C +ATOM 790 O ASN A 100 16.248 20.661 20.576 1.00 51.54 O +ATOM 791 CB ASN A 100 18.435 21.210 18.394 1.00 58.73 C +ATOM 792 CG ASN A 100 17.086 21.865 18.132 1.00 64.48 C +ATOM 793 OD1 ASN A 100 16.338 21.439 17.246 1.00 69.02 O +ATOM 794 ND2 ASN A 100 16.764 22.900 18.909 1.00 65.91 N +ATOM 795 N ASP A 101 17.117 18.652 20.041 1.00 49.18 N +ATOM 796 CA ASP A 101 15.880 17.937 20.339 1.00 45.87 C +ATOM 797 C ASP A 101 15.914 17.080 21.602 1.00 41.80 C +ATOM 798 O ASP A 101 16.868 16.329 21.824 1.00 40.99 O +ATOM 799 CB ASP A 101 15.502 17.046 19.148 1.00 48.10 C +ATOM 800 CG ASP A 101 15.103 17.845 17.920 1.00 49.70 C +ATOM 801 OD1 ASP A 101 14.289 18.786 18.062 1.00 51.09 O +ATOM 802 OD2 ASP A 101 15.603 17.531 16.815 1.00 50.66 O +ATOM 803 N VAL A 102 14.857 17.190 22.410 1.00 34.96 N +ATOM 804 CA VAL A 102 14.729 16.403 23.634 1.00 31.20 C +ATOM 805 C VAL A 102 13.442 15.571 23.608 1.00 29.20 C +ATOM 806 O VAL A 102 12.365 16.099 23.337 1.00 26.38 O +ATOM 807 CB VAL A 102 14.689 17.294 24.904 1.00 30.98 C +ATOM 808 CG1 VAL A 102 14.681 16.421 26.165 1.00 23.71 C +ATOM 809 CG2 VAL A 102 15.878 18.239 24.908 1.00 30.71 C +ATOM 810 N TYR A 103 13.568 14.273 23.884 1.00 24.80 N +ATOM 811 CA TYR A 103 12.423 13.370 23.922 1.00 21.86 C +ATOM 812 C TYR A 103 12.309 12.805 25.326 1.00 22.96 C +ATOM 813 O TYR A 103 13.312 12.437 25.948 1.00 25.59 O +ATOM 814 CB TYR A 103 12.595 12.196 22.947 1.00 22.00 C +ATOM 815 CG TYR A 103 12.588 12.557 21.480 1.00 18.80 C +ATOM 816 CD1 TYR A 103 13.686 13.192 20.894 1.00 20.87 C +ATOM 817 CD2 TYR A 103 11.492 12.250 20.674 1.00 17.90 C +ATOM 818 CE1 TYR A 103 13.693 13.518 19.535 1.00 18.87 C +ATOM 819 CE2 TYR A 103 11.482 12.568 19.316 1.00 16.59 C +ATOM 820 CZ TYR A 103 12.584 13.206 18.751 1.00 20.33 C +ATOM 821 OH TYR A 103 12.579 13.556 17.412 1.00 24.21 O +ATOM 822 N LEU A 104 11.083 12.738 25.821 1.00 23.61 N +ATOM 823 CA LEU A 104 10.829 12.201 27.145 1.00 23.47 C +ATOM 824 C LEU A 104 9.932 10.989 26.950 1.00 24.82 C +ATOM 825 O LEU A 104 8.995 11.032 26.151 1.00 26.34 O +ATOM 826 CB LEU A 104 10.132 13.243 28.025 1.00 23.03 C +ATOM 827 CG LEU A 104 10.832 14.596 28.139 1.00 22.27 C +ATOM 828 CD1 LEU A 104 9.858 15.613 28.670 1.00 21.37 C +ATOM 829 CD2 LEU A 104 12.037 14.481 29.045 1.00 19.61 C +ATOM 830 N VAL A 105 10.232 9.908 27.670 1.00 25.96 N +ATOM 831 CA VAL A 105 9.471 8.662 27.572 1.00 24.70 C +ATOM 832 C VAL A 105 8.930 8.265 28.946 1.00 25.15 C +ATOM 833 O VAL A 105 9.692 8.189 29.913 1.00 25.68 O +ATOM 834 CB VAL A 105 10.373 7.502 27.028 1.00 21.96 C +ATOM 835 CG1 VAL A 105 9.591 6.201 27.010 1.00 21.11 C +ATOM 836 CG2 VAL A 105 10.896 7.844 25.636 1.00 17.77 C +ATOM 837 N THR A 106 7.623 8.040 29.045 1.00 24.89 N +ATOM 838 CA THR A 106 7.034 7.628 30.319 1.00 28.29 C +ATOM 839 C THR A 106 5.923 6.637 30.048 1.00 30.06 C +ATOM 840 O THR A 106 5.528 6.454 28.902 1.00 29.15 O +ATOM 841 CB THR A 106 6.462 8.840 31.147 1.00 29.35 C +ATOM 842 OG1 THR A 106 6.287 8.439 32.514 1.00 35.00 O +ATOM 843 CG2 THR A 106 5.122 9.309 30.597 1.00 26.82 C +ATOM 844 N HIS A 107 5.435 5.984 31.099 1.00 32.86 N +ATOM 845 CA HIS A 107 4.348 5.021 30.954 1.00 34.39 C +ATOM 846 C HIS A 107 3.173 5.745 30.329 1.00 34.69 C +ATOM 847 O HIS A 107 2.850 6.862 30.714 1.00 36.49 O +ATOM 848 CB HIS A 107 3.942 4.475 32.320 1.00 37.26 C +ATOM 849 CG HIS A 107 5.059 3.800 33.055 1.00 42.15 C +ATOM 850 ND1 HIS A 107 5.702 4.375 34.135 1.00 43.71 N +ATOM 851 CD2 HIS A 107 5.666 2.607 32.847 1.00 40.62 C +ATOM 852 CE1 HIS A 107 6.657 3.565 34.558 1.00 42.58 C +ATOM 853 NE2 HIS A 107 6.655 2.486 33.793 1.00 43.27 N +ATOM 854 N LEU A 108 2.540 5.113 29.356 1.00 34.83 N +ATOM 855 CA LEU A 108 1.397 5.715 28.692 1.00 34.95 C +ATOM 856 C LEU A 108 0.229 5.742 29.676 1.00 38.26 C +ATOM 857 O LEU A 108 -0.250 4.697 30.109 1.00 36.76 O +ATOM 858 CB LEU A 108 1.037 4.887 27.461 1.00 32.61 C +ATOM 859 CG LEU A 108 -0.094 5.337 26.547 1.00 30.99 C +ATOM 860 CD1 LEU A 108 0.260 6.662 25.875 1.00 28.80 C +ATOM 861 CD2 LEU A 108 -0.346 4.245 25.527 1.00 27.66 C +ATOM 862 N MET A 109 -0.205 6.946 30.039 1.00 42.59 N +ATOM 863 CA MET A 109 -1.321 7.138 30.971 1.00 47.11 C +ATOM 864 C MET A 109 -2.615 7.158 30.164 1.00 49.63 C +ATOM 865 O MET A 109 -2.746 7.928 29.208 1.00 52.50 O +ATOM 866 CB MET A 109 -1.179 8.464 31.737 1.00 49.39 C +ATOM 867 CG MET A 109 0.052 8.565 32.673 1.00 49.86 C +ATOM 868 SD MET A 109 0.303 7.186 33.844 1.00 49.69 S +ATOM 869 CE MET A 109 2.088 7.351 34.150 1.00 49.84 C +ATOM 870 N GLY A 110 -3.571 6.319 30.543 1.00 50.46 N +ATOM 871 CA GLY A 110 -4.820 6.264 29.805 1.00 51.94 C +ATOM 872 C GLY A 110 -5.884 7.246 30.261 1.00 53.14 C +ATOM 873 O GLY A 110 -6.084 8.301 29.645 1.00 54.72 O +ATOM 874 N ALA A 111 -6.571 6.899 31.344 1.00 50.19 N +ATOM 875 CA ALA A 111 -7.628 7.748 31.872 1.00 47.42 C +ATOM 876 C ALA A 111 -7.150 8.570 33.043 1.00 45.16 C +ATOM 877 O ALA A 111 -6.290 8.131 33.793 1.00 45.11 O +ATOM 878 CB ALA A 111 -8.804 6.890 32.315 1.00 46.95 C +ATOM 879 N ASP A 112 -7.688 9.772 33.199 1.00 43.41 N +ATOM 880 CA ASP A 112 -7.313 10.552 34.364 1.00 43.62 C +ATOM 881 C ASP A 112 -8.485 10.417 35.344 1.00 44.27 C +ATOM 882 O ASP A 112 -9.494 9.783 35.023 1.00 44.17 O +ATOM 883 CB ASP A 112 -6.976 12.024 34.019 1.00 39.75 C +ATOM 884 CG ASP A 112 -8.140 12.795 33.443 1.00 37.23 C +ATOM 885 OD1 ASP A 112 -9.238 12.697 33.995 1.00 38.95 O +ATOM 886 OD2 ASP A 112 -7.955 13.516 32.443 1.00 37.31 O +ATOM 887 N LEU A 113 -8.340 10.971 36.544 1.00 45.67 N +ATOM 888 CA LEU A 113 -9.377 10.879 37.567 1.00 44.89 C +ATOM 889 C LEU A 113 -10.614 11.634 37.141 1.00 46.60 C +ATOM 890 O LEU A 113 -11.721 11.335 37.561 1.00 45.92 O +ATOM 891 CB LEU A 113 -8.869 11.463 38.881 1.00 42.27 C +ATOM 892 CG LEU A 113 -9.875 11.340 40.017 1.00 41.13 C +ATOM 893 CD1 LEU A 113 -10.141 9.868 40.304 1.00 38.91 C +ATOM 894 CD2 LEU A 113 -9.347 12.066 41.240 1.00 40.46 C +ATOM 895 N ASN A 114 -10.402 12.627 36.297 1.00 51.25 N +ATOM 896 CA ASN A 114 -11.476 13.458 35.808 1.00 55.16 C +ATOM 897 C ASN A 114 -12.460 12.724 34.910 1.00 58.43 C +ATOM 898 O ASN A 114 -13.444 13.308 34.485 1.00 60.33 O +ATOM 899 CB ASN A 114 -10.883 14.636 35.058 1.00 57.06 C +ATOM 900 CG ASN A 114 -11.912 15.624 34.666 1.00 58.41 C +ATOM 901 OD1 ASN A 114 -12.781 15.961 35.464 1.00 60.39 O +ATOM 902 ND2 ASN A 114 -11.837 16.103 33.426 1.00 62.96 N +ATOM 903 N ASN A 115 -12.184 11.456 34.613 1.00 63.08 N +ATOM 904 CA ASN A 115 -13.056 10.640 33.763 1.00 66.52 C +ATOM 905 C ASN A 115 -13.794 9.675 34.669 1.00 71.75 C +ATOM 906 O ASN A 115 -15.019 9.625 34.675 1.00 74.92 O +ATOM 907 CB ASN A 115 -12.247 9.838 32.745 1.00 63.25 C +ATOM 908 CG ASN A 115 -11.427 10.715 31.831 1.00 63.99 C +ATOM 909 OD1 ASN A 115 -10.298 10.372 31.468 1.00 60.30 O +ATOM 910 ND2 ASN A 115 -11.988 11.858 31.449 1.00 62.80 N +ATOM 911 N ILE A 116 -13.031 8.904 35.431 1.00 76.65 N +ATOM 912 CA ILE A 116 -13.599 7.947 36.367 1.00 80.79 C +ATOM 913 C ILE A 116 -14.715 8.600 37.214 1.00 83.83 C +ATOM 914 O ILE A 116 -15.819 8.064 37.322 1.00 83.69 O +ATOM 915 CB ILE A 116 -12.468 7.373 37.283 1.00 81.12 C +ATOM 916 CG1 ILE A 116 -11.880 6.110 36.647 1.00 80.38 C +ATOM 917 CG2 ILE A 116 -12.996 7.072 38.680 1.00 81.03 C +ATOM 918 CD1 ILE A 116 -10.901 6.376 35.526 1.00 79.96 C +ATOM 919 N VAL A 117 -14.431 9.772 37.776 1.00 87.54 N +ATOM 920 CA VAL A 117 -15.383 10.491 38.627 1.00 91.42 C +ATOM 921 C VAL A 117 -16.425 11.385 37.955 1.00 93.81 C +ATOM 922 O VAL A 117 -17.590 11.371 38.351 1.00 95.52 O +ATOM 923 CB VAL A 117 -14.643 11.366 39.637 1.00 92.30 C +ATOM 924 CG1 VAL A 117 -15.577 11.754 40.784 1.00 93.30 C +ATOM 925 CG2 VAL A 117 -13.425 10.629 40.129 1.00 94.71 C +ATOM 926 N LYS A 118 -16.013 12.181 36.969 1.00 95.19 N +ATOM 927 CA LYS A 118 -16.943 13.074 36.277 1.00 95.50 C +ATOM 928 C LYS A 118 -18.198 12.300 35.896 1.00 95.25 C +ATOM 929 O LYS A 118 -19.270 12.883 35.710 1.00 94.23 O +ATOM 930 CB LYS A 118 -16.290 13.652 35.015 1.00 96.19 C +ATOM 931 CG LYS A 118 -17.151 14.651 34.246 1.00 97.22 C +ATOM 932 CD LYS A 118 -16.703 14.781 32.790 1.00 98.68 C +ATOM 933 CE LYS A 118 -17.821 14.409 31.811 1.00100.00 C +ATOM 934 NZ LYS A 118 -19.125 14.130 32.488 1.00100.00 N +ATOM 935 N CYS A 119 -18.054 10.978 35.810 1.00 95.47 N +ATOM 936 CA CYS A 119 -19.149 10.091 35.439 1.00 95.30 C +ATOM 937 C CYS A 119 -19.924 9.471 36.621 1.00 94.88 C +ATOM 938 O CYS A 119 -20.504 8.393 36.471 1.00 94.57 O +ATOM 939 CB CYS A 119 -18.623 8.980 34.504 1.00 95.31 C +ATOM 940 SG CYS A 119 -17.878 9.557 32.913 1.00 92.06 S +ATOM 941 N GLN A 120 -19.931 10.156 37.775 1.00 93.67 N +ATOM 942 CA GLN A 120 -20.656 9.713 38.982 1.00 91.73 C +ATOM 943 C GLN A 120 -20.078 10.175 40.336 1.00 88.79 C +ATOM 944 O GLN A 120 -19.122 10.954 40.403 1.00 88.51 O +ATOM 945 CB GLN A 120 -20.788 8.176 39.013 1.00 95.26 C +ATOM 946 CG GLN A 120 -22.209 7.639 38.767 1.00 98.33 C +ATOM 947 CD GLN A 120 -23.171 7.878 39.936 1.00100.00 C +ATOM 948 OE1 GLN A 120 -24.324 8.264 39.734 1.00100.00 O +ATOM 949 NE2 GLN A 120 -22.703 7.640 41.157 1.00100.00 N +ATOM 950 N LYS A 121 -20.710 9.676 41.403 1.00 84.23 N +ATOM 951 CA LYS A 121 -20.348 9.913 42.808 1.00 77.91 C +ATOM 952 C LYS A 121 -19.869 8.509 43.255 1.00 77.75 C +ATOM 953 O LYS A 121 -20.599 7.525 43.078 1.00 80.29 O +ATOM 954 CB LYS A 121 -21.605 10.376 43.566 1.00 71.37 C +ATOM 955 CG LYS A 121 -21.691 10.039 45.042 1.00 65.96 C +ATOM 956 CD LYS A 121 -23.078 10.416 45.565 1.00 63.61 C +ATOM 957 CE LYS A 121 -23.242 10.143 47.055 1.00 62.17 C +ATOM 958 NZ LYS A 121 -23.759 11.329 47.795 1.00 57.55 N +ATOM 959 N LEU A 122 -18.653 8.400 43.803 1.00 74.55 N +ATOM 960 CA LEU A 122 -18.089 7.085 44.189 1.00 69.17 C +ATOM 961 C LEU A 122 -18.386 6.517 45.579 1.00 65.48 C +ATOM 962 O LEU A 122 -18.961 7.195 46.445 1.00 66.18 O +ATOM 963 CB LEU A 122 -16.561 7.084 44.015 1.00 67.91 C +ATOM 964 CG LEU A 122 -15.914 7.851 42.862 1.00 66.68 C +ATOM 965 CD1 LEU A 122 -14.412 7.619 42.908 1.00 65.57 C +ATOM 966 CD2 LEU A 122 -16.491 7.398 41.530 1.00 66.87 C +ATOM 967 N THR A 123 -17.963 5.264 45.781 1.00 58.72 N +ATOM 968 CA THR A 123 -18.151 4.576 47.058 1.00 52.79 C +ATOM 969 C THR A 123 -17.023 4.944 48.025 1.00 49.62 C +ATOM 970 O THR A 123 -15.900 5.223 47.613 1.00 49.10 O +ATOM 971 CB THR A 123 -18.185 3.053 46.877 1.00 50.87 C +ATOM 972 OG1 THR A 123 -16.912 2.492 47.222 1.00 48.07 O +ATOM 973 CG2 THR A 123 -18.526 2.716 45.444 1.00 50.94 C +ATOM 974 N ASP A 124 -17.322 4.946 49.316 1.00 46.66 N +ATOM 975 CA ASP A 124 -16.328 5.318 50.310 1.00 44.65 C +ATOM 976 C ASP A 124 -14.991 4.598 50.150 1.00 45.02 C +ATOM 977 O ASP A 124 -13.922 5.215 50.247 1.00 45.83 O +ATOM 978 CB ASP A 124 -16.874 5.067 51.712 1.00 42.95 C +ATOM 979 CG ASP A 124 -16.095 5.809 52.779 1.00 43.62 C +ATOM 980 OD1 ASP A 124 -15.818 7.017 52.578 1.00 40.16 O +ATOM 981 OD2 ASP A 124 -15.762 5.183 53.813 1.00 41.28 O +ATOM 982 N ASP A 125 -15.040 3.296 49.902 1.00 42.48 N +ATOM 983 CA ASP A 125 -13.811 2.539 49.764 1.00 41.51 C +ATOM 984 C ASP A 125 -12.980 2.986 48.582 1.00 40.41 C +ATOM 985 O ASP A 125 -11.759 2.849 48.605 1.00 40.50 O +ATOM 986 CB ASP A 125 -14.118 1.055 49.662 1.00 44.46 C +ATOM 987 CG ASP A 125 -14.737 0.517 50.927 1.00 48.06 C +ATOM 988 OD1 ASP A 125 -14.339 0.949 52.036 1.00 52.63 O +ATOM 989 OD2 ASP A 125 -15.635 -0.332 50.815 1.00 50.63 O +ATOM 990 N HIS A 126 -13.633 3.510 47.546 1.00 37.06 N +ATOM 991 CA HIS A 126 -12.911 3.995 46.383 1.00 33.58 C +ATOM 992 C HIS A 126 -12.235 5.304 46.768 1.00 31.52 C +ATOM 993 O HIS A 126 -11.063 5.509 46.468 1.00 30.44 O +ATOM 994 CB HIS A 126 -13.862 4.223 45.211 1.00 35.93 C +ATOM 995 CG HIS A 126 -14.273 2.963 44.522 1.00 43.92 C +ATOM 996 ND1 HIS A 126 -13.384 1.948 44.235 1.00 47.48 N +ATOM 997 CD2 HIS A 126 -15.486 2.525 44.107 1.00 47.49 C +ATOM 998 CE1 HIS A 126 -14.029 0.938 43.678 1.00 47.41 C +ATOM 999 NE2 HIS A 126 -15.308 1.263 43.590 1.00 47.96 N +ATOM 1000 N VAL A 127 -12.974 6.178 47.451 1.00 30.69 N +ATOM 1001 CA VAL A 127 -12.444 7.471 47.877 1.00 29.42 C +ATOM 1002 C VAL A 127 -11.268 7.235 48.824 1.00 30.17 C +ATOM 1003 O VAL A 127 -10.219 7.876 48.693 1.00 30.09 O +ATOM 1004 CB VAL A 127 -13.532 8.328 48.585 1.00 28.15 C +ATOM 1005 CG1 VAL A 127 -12.969 9.708 48.947 1.00 22.30 C +ATOM 1006 CG2 VAL A 127 -14.755 8.472 47.676 1.00 26.31 C +ATOM 1007 N GLN A 128 -11.443 6.313 49.769 1.00 28.55 N +ATOM 1008 CA GLN A 128 -10.383 5.974 50.714 1.00 27.29 C +ATOM 1009 C GLN A 128 -9.100 5.665 49.943 1.00 26.88 C +ATOM 1010 O GLN A 128 -8.048 6.249 50.197 1.00 28.65 O +ATOM 1011 CB GLN A 128 -10.768 4.739 51.516 1.00 27.04 C +ATOM 1012 CG GLN A 128 -11.344 5.022 52.889 1.00 29.79 C +ATOM 1013 CD GLN A 128 -12.020 3.806 53.458 1.00 26.59 C +ATOM 1014 OE1 GLN A 128 -13.208 3.824 53.778 1.00 25.27 O +ATOM 1015 NE2 GLN A 128 -11.266 2.724 53.567 1.00 31.59 N +ATOM 1016 N PHE A 129 -9.215 4.744 48.991 1.00 24.28 N +ATOM 1017 CA PHE A 129 -8.096 4.307 48.166 1.00 25.70 C +ATOM 1018 C PHE A 129 -7.461 5.369 47.267 1.00 26.36 C +ATOM 1019 O PHE A 129 -6.234 5.532 47.255 1.00 26.66 O +ATOM 1020 CB PHE A 129 -8.526 3.134 47.288 1.00 26.86 C +ATOM 1021 CG PHE A 129 -7.386 2.449 46.612 1.00 28.70 C +ATOM 1022 CD1 PHE A 129 -6.226 2.132 47.325 1.00 29.19 C +ATOM 1023 CD2 PHE A 129 -7.466 2.112 45.266 1.00 32.46 C +ATOM 1024 CE1 PHE A 129 -5.152 1.486 46.710 1.00 30.62 C +ATOM 1025 CE2 PHE A 129 -6.396 1.460 44.624 1.00 33.22 C +ATOM 1026 CZ PHE A 129 -5.235 1.145 45.352 1.00 33.75 C +ATOM 1027 N LEU A 130 -8.285 6.077 46.501 1.00 22.56 N +ATOM 1028 CA LEU A 130 -7.765 7.096 45.608 1.00 18.87 C +ATOM 1029 C LEU A 130 -7.096 8.243 46.361 1.00 17.16 C +ATOM 1030 O LEU A 130 -5.997 8.650 46.019 1.00 19.74 O +ATOM 1031 CB LEU A 130 -8.891 7.623 44.723 1.00 19.85 C +ATOM 1032 CG LEU A 130 -9.325 6.699 43.579 1.00 18.47 C +ATOM 1033 CD1 LEU A 130 -10.698 7.140 43.058 1.00 14.85 C +ATOM 1034 CD2 LEU A 130 -8.272 6.724 42.473 1.00 13.24 C +ATOM 1035 N ILE A 131 -7.755 8.769 47.382 1.00 16.14 N +ATOM 1036 CA ILE A 131 -7.169 9.854 48.163 1.00 19.11 C +ATOM 1037 C ILE A 131 -5.916 9.336 48.881 1.00 20.72 C +ATOM 1038 O ILE A 131 -4.923 10.057 49.010 1.00 22.52 O +ATOM 1039 CB ILE A 131 -8.176 10.427 49.224 1.00 18.45 C +ATOM 1040 CG1 ILE A 131 -9.444 10.942 48.527 1.00 17.06 C +ATOM 1041 CG2 ILE A 131 -7.517 11.553 50.019 1.00 14.73 C +ATOM 1042 CD1 ILE A 131 -9.186 11.952 47.406 1.00 14.25 C +ATOM 1043 N TYR A 132 -5.957 8.089 49.345 1.00 20.92 N +ATOM 1044 CA TYR A 132 -4.801 7.508 50.027 1.00 23.12 C +ATOM 1045 C TYR A 132 -3.538 7.615 49.168 1.00 24.51 C +ATOM 1046 O TYR A 132 -2.486 8.074 49.631 1.00 26.64 O +ATOM 1047 CB TYR A 132 -5.036 6.037 50.350 1.00 25.57 C +ATOM 1048 CG TYR A 132 -3.796 5.369 50.886 1.00 28.18 C +ATOM 1049 CD1 TYR A 132 -3.388 5.574 52.205 1.00 28.31 C +ATOM 1050 CD2 TYR A 132 -3.000 4.564 50.068 1.00 29.46 C +ATOM 1051 CE1 TYR A 132 -2.209 4.995 52.702 1.00 28.42 C +ATOM 1052 CE2 TYR A 132 -1.816 3.980 50.558 1.00 28.34 C +ATOM 1053 CZ TYR A 132 -1.428 4.201 51.877 1.00 27.96 C +ATOM 1054 OH TYR A 132 -0.271 3.631 52.373 1.00 27.63 O +ATOM 1055 N GLN A 133 -3.652 7.178 47.917 1.00 23.62 N +ATOM 1056 CA GLN A 133 -2.544 7.218 46.967 1.00 22.58 C +ATOM 1057 C GLN A 133 -2.074 8.636 46.647 1.00 23.20 C +ATOM 1058 O GLN A 133 -0.876 8.888 46.466 1.00 20.87 O +ATOM 1059 CB GLN A 133 -2.959 6.524 45.678 1.00 19.24 C +ATOM 1060 CG GLN A 133 -3.143 5.052 45.834 1.00 19.17 C +ATOM 1061 CD GLN A 133 -3.793 4.455 44.630 1.00 22.77 C +ATOM 1062 OE1 GLN A 133 -3.124 4.120 43.650 1.00 21.90 O +ATOM 1063 NE2 GLN A 133 -5.114 4.322 44.681 1.00 25.14 N +ATOM 1064 N ILE A 134 -3.021 9.561 46.549 1.00 22.82 N +ATOM 1065 CA ILE A 134 -2.668 10.936 46.261 1.00 22.40 C +ATOM 1066 C ILE A 134 -1.798 11.448 47.409 1.00 22.27 C +ATOM 1067 O ILE A 134 -0.771 12.096 47.166 1.00 22.82 O +ATOM 1068 CB ILE A 134 -3.917 11.833 46.141 1.00 23.51 C +ATOM 1069 CG1 ILE A 134 -4.861 11.299 45.057 1.00 23.37 C +ATOM 1070 CG2 ILE A 134 -3.488 13.249 45.801 1.00 25.26 C +ATOM 1071 CD1 ILE A 134 -6.046 12.222 44.780 1.00 20.01 C +ATOM 1072 N LEU A 135 -2.205 11.143 48.649 1.00 19.28 N +ATOM 1073 CA LEU A 135 -1.469 11.569 49.850 1.00 19.47 C +ATOM 1074 C LEU A 135 -0.104 10.885 50.012 1.00 20.95 C +ATOM 1075 O LEU A 135 0.852 11.490 50.498 1.00 19.86 O +ATOM 1076 CB LEU A 135 -2.314 11.317 51.102 1.00 17.01 C +ATOM 1077 CG LEU A 135 -3.533 12.218 51.341 1.00 15.32 C +ATOM 1078 CD1 LEU A 135 -4.350 11.631 52.474 1.00 13.41 C +ATOM 1079 CD2 LEU A 135 -3.101 13.647 51.674 1.00 9.98 C +ATOM 1080 N ARG A 136 -0.030 9.613 49.629 1.00 21.78 N +ATOM 1081 CA ARG A 136 1.215 8.852 49.689 1.00 22.62 C +ATOM 1082 C ARG A 136 2.221 9.478 48.713 1.00 23.15 C +ATOM 1083 O ARG A 136 3.378 9.721 49.046 1.00 25.37 O +ATOM 1084 CB ARG A 136 0.932 7.414 49.283 1.00 22.58 C +ATOM 1085 CG ARG A 136 2.088 6.466 49.443 1.00 26.87 C +ATOM 1086 CD ARG A 136 1.644 5.068 49.059 1.00 28.68 C +ATOM 1087 NE ARG A 136 2.741 4.109 49.118 1.00 36.65 N +ATOM 1088 CZ ARG A 136 3.182 3.405 48.076 1.00 41.62 C +ATOM 1089 NH1 ARG A 136 2.619 3.545 46.879 1.00 44.65 N +ATOM 1090 NH2 ARG A 136 4.192 2.554 48.229 1.00 43.42 N +ATOM 1091 N GLY A 137 1.772 9.739 47.494 1.00 23.64 N +ATOM 1092 CA GLY A 137 2.644 10.347 46.509 1.00 21.54 C +ATOM 1093 C GLY A 137 3.023 11.755 46.913 1.00 21.70 C +ATOM 1094 O GLY A 137 4.142 12.196 46.658 1.00 20.35 O +ATOM 1095 N LEU A 138 2.087 12.462 47.543 1.00 22.46 N +ATOM 1096 CA LEU A 138 2.307 13.836 47.992 1.00 20.63 C +ATOM 1097 C LEU A 138 3.281 13.932 49.163 1.00 19.07 C +ATOM 1098 O LEU A 138 3.987 14.928 49.318 1.00 16.75 O +ATOM 1099 CB LEU A 138 0.977 14.457 48.380 1.00 20.98 C +ATOM 1100 CG LEU A 138 0.780 15.936 48.049 1.00 25.67 C +ATOM 1101 CD1 LEU A 138 1.162 16.273 46.584 1.00 18.40 C +ATOM 1102 CD2 LEU A 138 -0.685 16.251 48.343 1.00 24.28 C +ATOM 1103 N LYS A 139 3.303 12.891 49.991 1.00 20.45 N +ATOM 1104 CA LYS A 139 4.210 12.848 51.129 1.00 20.37 C +ATOM 1105 C LYS A 139 5.614 12.744 50.547 1.00 21.56 C +ATOM 1106 O LYS A 139 6.542 13.422 50.990 1.00 23.04 O +ATOM 1107 CB LYS A 139 3.930 11.629 52.005 1.00 19.02 C +ATOM 1108 CG LYS A 139 5.143 11.180 52.768 1.00 20.79 C +ATOM 1109 CD LYS A 139 4.866 10.047 53.719 1.00 23.36 C +ATOM 1110 CE LYS A 139 6.020 9.925 54.704 1.00 25.03 C +ATOM 1111 NZ LYS A 139 6.137 8.592 55.339 1.00 27.70 N +ATOM 1112 N TYR A 140 5.757 11.895 49.537 1.00 21.03 N +ATOM 1113 CA TYR A 140 7.037 11.698 48.876 1.00 20.47 C +ATOM 1114 C TYR A 140 7.514 13.024 48.256 1.00 21.04 C +ATOM 1115 O TYR A 140 8.612 13.488 48.532 1.00 21.30 O +ATOM 1116 CB TYR A 140 6.884 10.591 47.807 1.00 22.82 C +ATOM 1117 CG TYR A 140 8.098 10.355 46.933 1.00 22.57 C +ATOM 1118 CD1 TYR A 140 9.146 9.540 47.361 1.00 21.80 C +ATOM 1119 CD2 TYR A 140 8.223 10.995 45.707 1.00 20.53 C +ATOM 1120 CE1 TYR A 140 10.288 9.385 46.588 1.00 21.76 C +ATOM 1121 CE2 TYR A 140 9.348 10.848 44.934 1.00 21.78 C +ATOM 1122 CZ TYR A 140 10.383 10.052 45.374 1.00 24.14 C +ATOM 1123 OH TYR A 140 11.529 9.976 44.612 1.00 25.27 O +ATOM 1124 N ILE A 141 6.669 13.632 47.431 1.00 24.30 N +ATOM 1125 CA ILE A 141 6.969 14.898 46.759 1.00 25.30 C +ATOM 1126 C ILE A 141 7.341 16.008 47.741 1.00 26.01 C +ATOM 1127 O ILE A 141 8.360 16.685 47.583 1.00 25.77 O +ATOM 1128 CB ILE A 141 5.744 15.360 45.913 1.00 28.42 C +ATOM 1129 CG1 ILE A 141 5.691 14.540 44.630 1.00 31.08 C +ATOM 1130 CG2 ILE A 141 5.820 16.854 45.575 1.00 25.69 C +ATOM 1131 CD1 ILE A 141 4.292 14.430 44.041 1.00 35.08 C +ATOM 1132 N HIS A 142 6.498 16.200 48.749 1.00 26.23 N +ATOM 1133 CA HIS A 142 6.736 17.234 49.739 1.00 24.55 C +ATOM 1134 C HIS A 142 8.018 16.957 50.492 1.00 25.39 C +ATOM 1135 O HIS A 142 8.785 17.869 50.782 1.00 26.14 O +ATOM 1136 CB HIS A 142 5.559 17.304 50.706 1.00 20.03 C +ATOM 1137 CG HIS A 142 4.346 17.958 50.120 1.00 24.02 C +ATOM 1138 ND1 HIS A 142 3.124 17.983 50.761 1.00 20.27 N +ATOM 1139 CD2 HIS A 142 4.166 18.605 48.941 1.00 19.62 C +ATOM 1140 CE1 HIS A 142 2.244 18.616 50.006 1.00 21.95 C +ATOM 1141 NE2 HIS A 142 2.849 19.003 48.896 1.00 25.70 N +ATOM 1142 N SER A 143 8.259 15.693 50.805 1.00 25.37 N +ATOM 1143 CA SER A 143 9.461 15.345 51.532 1.00 26.42 C +ATOM 1144 C SER A 143 10.731 15.752 50.773 1.00 27.68 C +ATOM 1145 O SER A 143 11.796 15.850 51.369 1.00 28.80 O +ATOM 1146 CB SER A 143 9.464 13.848 51.847 1.00 27.34 C +ATOM 1147 OG SER A 143 10.163 13.105 50.868 1.00 31.78 O +ATOM 1148 N ALA A 144 10.611 16.003 49.469 1.00 29.65 N +ATOM 1149 CA ALA A 144 11.748 16.412 48.630 1.00 27.76 C +ATOM 1150 C ALA A 144 11.738 17.934 48.443 1.00 30.53 C +ATOM 1151 O ALA A 144 12.467 18.468 47.589 1.00 29.40 O +ATOM 1152 CB ALA A 144 11.664 15.732 47.252 1.00 22.37 C +ATOM 1153 N ASP A 145 10.897 18.612 49.234 1.00 31.88 N +ATOM 1154 CA ASP A 145 10.731 20.063 49.195 1.00 32.98 C +ATOM 1155 C ASP A 145 10.060 20.528 47.922 1.00 32.50 C +ATOM 1156 O ASP A 145 10.285 21.649 47.470 1.00 34.08 O +ATOM 1157 CB ASP A 145 12.071 20.766 49.314 1.00 39.10 C +ATOM 1158 CG ASP A 145 12.420 21.094 50.736 1.00 47.67 C +ATOM 1159 OD1 ASP A 145 11.651 20.696 51.647 1.00 52.14 O +ATOM 1160 OD2 ASP A 145 13.471 21.750 50.940 1.00 56.43 O +ATOM 1161 N ILE A 146 9.245 19.673 47.327 1.00 30.38 N +ATOM 1162 CA ILE A 146 8.567 20.059 46.106 1.00 30.61 C +ATOM 1163 C ILE A 146 7.095 20.284 46.392 1.00 31.34 C +ATOM 1164 O ILE A 146 6.468 19.512 47.116 1.00 34.46 O +ATOM 1165 CB ILE A 146 8.694 18.970 45.013 1.00 30.09 C +ATOM 1166 CG1 ILE A 146 10.161 18.732 44.675 1.00 28.36 C +ATOM 1167 CG2 ILE A 146 7.962 19.398 43.756 1.00 29.06 C +ATOM 1168 CD1 ILE A 146 10.415 17.360 44.135 1.00 27.40 C +ATOM 1169 N ILE A 147 6.555 21.358 45.834 1.00 30.31 N +ATOM 1170 CA ILE A 147 5.140 21.675 45.979 1.00 29.98 C +ATOM 1171 C ILE A 147 4.562 21.508 44.572 1.00 29.62 C +ATOM 1172 O ILE A 147 5.062 22.126 43.623 1.00 32.79 O +ATOM 1173 CB ILE A 147 4.928 23.126 46.439 1.00 28.18 C +ATOM 1174 CG1 ILE A 147 5.648 23.364 47.758 1.00 27.51 C +ATOM 1175 CG2 ILE A 147 3.444 23.407 46.613 1.00 29.62 C +ATOM 1176 CD1 ILE A 147 5.656 24.802 48.141 1.00 28.52 C +ATOM 1177 N HIS A 148 3.543 20.664 44.416 1.00 24.45 N +ATOM 1178 CA HIS A 148 2.961 20.453 43.099 1.00 22.47 C +ATOM 1179 C HIS A 148 2.342 21.739 42.542 1.00 24.36 C +ATOM 1180 O HIS A 148 2.656 22.148 41.420 1.00 23.70 O +ATOM 1181 CB HIS A 148 1.920 19.338 43.139 1.00 19.24 C +ATOM 1182 CG HIS A 148 1.436 18.939 41.780 1.00 20.31 C +ATOM 1183 ND1 HIS A 148 0.613 19.744 41.020 1.00 18.51 N +ATOM 1184 CD2 HIS A 148 1.697 17.849 41.022 1.00 20.11 C +ATOM 1185 CE1 HIS A 148 0.389 19.170 39.854 1.00 16.37 C +ATOM 1186 NE2 HIS A 148 1.034 18.019 39.829 1.00 19.53 N +ATOM 1187 N ARG A 149 1.475 22.370 43.342 1.00 28.34 N +ATOM 1188 CA ARG A 149 0.805 23.634 42.992 1.00 27.94 C +ATOM 1189 C ARG A 149 -0.377 23.572 42.023 1.00 28.40 C +ATOM 1190 O ARG A 149 -1.097 24.550 41.876 1.00 28.41 O +ATOM 1191 CB ARG A 149 1.831 24.635 42.437 1.00 28.97 C +ATOM 1192 CG ARG A 149 2.704 25.289 43.495 1.00 33.18 C +ATOM 1193 CD ARG A 149 3.701 26.267 42.876 1.00 39.73 C +ATOM 1194 NE ARG A 149 4.926 25.623 42.378 1.00 46.44 N +ATOM 1195 CZ ARG A 149 6.090 25.612 43.031 1.00 48.56 C +ATOM 1196 NH1 ARG A 149 6.212 26.198 44.215 1.00 50.29 N +ATOM 1197 NH2 ARG A 149 7.138 25.020 42.489 1.00 50.85 N +ATOM 1198 N ASP A 150 -0.574 22.443 41.350 1.00 27.72 N +ATOM 1199 CA ASP A 150 -1.663 22.317 40.386 1.00 25.56 C +ATOM 1200 C ASP A 150 -2.319 20.947 40.457 1.00 22.92 C +ATOM 1201 O ASP A 150 -2.516 20.290 39.451 1.00 22.52 O +ATOM 1202 CB ASP A 150 -1.115 22.567 38.974 1.00 28.78 C +ATOM 1203 CG ASP A 150 -2.206 22.888 37.945 1.00 29.26 C +ATOM 1204 OD1 ASP A 150 -3.296 23.369 38.333 1.00 33.37 O +ATOM 1205 OD2 ASP A 150 -1.956 22.654 36.733 1.00 35.03 O +ATOM 1206 N LEU A 151 -2.653 20.507 41.656 1.00 22.75 N +ATOM 1207 CA LEU A 151 -3.302 19.216 41.807 1.00 23.16 C +ATOM 1208 C LEU A 151 -4.755 19.382 41.389 1.00 23.85 C +ATOM 1209 O LEU A 151 -5.462 20.259 41.890 1.00 26.23 O +ATOM 1210 CB LEU A 151 -3.262 18.754 43.269 1.00 21.89 C +ATOM 1211 CG LEU A 151 -2.089 17.908 43.762 1.00 24.79 C +ATOM 1212 CD1 LEU A 151 -2.364 17.522 45.196 1.00 26.99 C +ATOM 1213 CD2 LEU A 151 -1.916 16.659 42.903 1.00 24.26 C +ATOM 1214 N LYS A 152 -5.206 18.562 40.458 1.00 21.92 N +ATOM 1215 CA LYS A 152 -6.592 18.623 40.052 1.00 20.63 C +ATOM 1216 C LYS A 152 -6.888 17.287 39.398 1.00 21.34 C +ATOM 1217 O LYS A 152 -5.968 16.588 39.000 1.00 23.05 O +ATOM 1218 CB LYS A 152 -6.822 19.787 39.093 1.00 21.29 C +ATOM 1219 CG LYS A 152 -5.940 19.781 37.882 1.00 22.81 C +ATOM 1220 CD LYS A 152 -5.985 21.145 37.207 1.00 26.83 C +ATOM 1221 CE LYS A 152 -5.204 21.138 35.898 1.00 28.31 C +ATOM 1222 NZ LYS A 152 -4.724 22.492 35.542 1.00 28.41 N +ATOM 1223 N PRO A 153 -8.173 16.907 39.286 1.00 21.24 N +ATOM 1224 CA PRO A 153 -8.515 15.623 38.671 1.00 21.53 C +ATOM 1225 C PRO A 153 -7.806 15.278 37.350 1.00 22.78 C +ATOM 1226 O PRO A 153 -7.362 14.138 37.158 1.00 22.14 O +ATOM 1227 CB PRO A 153 -10.028 15.709 38.525 1.00 22.34 C +ATOM 1228 CG PRO A 153 -10.443 16.588 39.655 1.00 18.46 C +ATOM 1229 CD PRO A 153 -9.381 17.634 39.713 1.00 19.76 C +ATOM 1230 N SER A 154 -7.687 16.259 36.456 1.00 21.92 N +ATOM 1231 CA SER A 154 -7.054 16.045 35.160 1.00 21.20 C +ATOM 1232 C SER A 154 -5.554 15.785 35.268 1.00 24.52 C +ATOM 1233 O SER A 154 -4.904 15.392 34.297 1.00 28.10 O +ATOM 1234 CB SER A 154 -7.305 17.249 34.254 1.00 21.39 C +ATOM 1235 OG SER A 154 -6.518 18.364 34.642 1.00 19.71 O +ATOM 1236 N ASN A 155 -4.995 16.001 36.450 1.00 24.34 N +ATOM 1237 CA ASN A 155 -3.569 15.784 36.643 1.00 22.95 C +ATOM 1238 C ASN A 155 -3.351 14.536 37.463 1.00 22.79 C +ATOM 1239 O ASN A 155 -2.321 14.384 38.098 1.00 21.99 O +ATOM 1240 CB ASN A 155 -2.931 16.980 37.352 1.00 22.19 C +ATOM 1241 CG ASN A 155 -2.453 18.052 36.385 1.00 25.11 C +ATOM 1242 OD1 ASN A 155 -2.286 19.202 36.768 1.00 28.30 O +ATOM 1243 ND2 ASN A 155 -2.227 17.679 35.128 1.00 24.46 N +ATOM 1244 N LEU A 156 -4.330 13.640 37.446 1.00 25.49 N +ATOM 1245 CA LEU A 156 -4.238 12.396 38.201 1.00 26.39 C +ATOM 1246 C LEU A 156 -4.607 11.194 37.320 1.00 29.40 C +ATOM 1247 O LEU A 156 -5.781 10.960 37.058 1.00 30.76 O +ATOM 1248 CB LEU A 156 -5.168 12.453 39.423 1.00 22.50 C +ATOM 1249 CG LEU A 156 -4.877 13.541 40.462 1.00 18.51 C +ATOM 1250 CD1 LEU A 156 -6.051 13.663 41.418 1.00 18.45 C +ATOM 1251 CD2 LEU A 156 -3.605 13.214 41.219 1.00 16.78 C +ATOM 1252 N ALA A 157 -3.603 10.438 36.873 1.00 30.42 N +ATOM 1253 CA ALA A 157 -3.826 9.268 36.023 1.00 29.60 C +ATOM 1254 C ALA A 157 -4.325 8.125 36.876 1.00 31.19 C +ATOM 1255 O ALA A 157 -3.775 7.858 37.938 1.00 34.39 O +ATOM 1256 CB ALA A 157 -2.533 8.861 35.315 1.00 26.60 C +ATOM 1257 N VAL A 158 -5.372 7.455 36.410 1.00 34.82 N +ATOM 1258 CA VAL A 158 -5.956 6.332 37.133 1.00 38.72 C +ATOM 1259 C VAL A 158 -6.223 5.201 36.166 1.00 41.25 C +ATOM 1260 O VAL A 158 -6.830 5.411 35.122 1.00 43.41 O +ATOM 1261 CB VAL A 158 -7.310 6.710 37.779 1.00 40.34 C +ATOM 1262 CG1 VAL A 158 -7.747 5.622 38.760 1.00 40.03 C +ATOM 1263 CG2 VAL A 158 -7.196 8.052 38.485 1.00 42.10 C +ATOM 1264 N ASN A 159 -5.786 3.999 36.509 1.00 46.13 N +ATOM 1265 CA ASN A 159 -6.028 2.869 35.632 1.00 51.19 C +ATOM 1266 C ASN A 159 -7.300 2.138 36.043 1.00 55.83 C +ATOM 1267 O ASN A 159 -8.031 2.587 36.933 1.00 54.71 O +ATOM 1268 CB ASN A 159 -4.824 1.911 35.621 1.00 49.46 C +ATOM 1269 CG ASN A 159 -4.617 1.207 36.940 1.00 50.50 C +ATOM 1270 OD1 ASN A 159 -5.531 1.102 37.757 1.00 50.92 O +ATOM 1271 ND2 ASN A 159 -3.404 0.711 37.155 1.00 50.71 N +ATOM 1272 N GLU A 160 -7.564 1.020 35.377 1.00 61.78 N +ATOM 1273 CA GLU A 160 -8.750 0.216 35.647 1.00 65.83 C +ATOM 1274 C GLU A 160 -8.795 -0.322 37.094 1.00 64.58 C +ATOM 1275 O GLU A 160 -9.873 -0.539 37.662 1.00 64.69 O +ATOM 1276 CB GLU A 160 -8.804 -0.936 34.637 1.00 70.17 C +ATOM 1277 CG GLU A 160 -7.742 -2.006 34.859 1.00 77.19 C +ATOM 1278 CD GLU A 160 -8.349 -3.387 35.072 1.00 82.45 C +ATOM 1279 OE1 GLU A 160 -8.829 -3.667 36.200 1.00 84.41 O +ATOM 1280 OE2 GLU A 160 -8.350 -4.190 34.108 1.00 82.93 O +ATOM 1281 N ASP A 161 -7.622 -0.524 37.685 1.00 60.96 N +ATOM 1282 CA ASP A 161 -7.527 -1.031 39.045 1.00 56.14 C +ATOM 1283 C ASP A 161 -7.531 0.087 40.092 1.00 52.07 C +ATOM 1284 O ASP A 161 -7.132 -0.121 41.237 1.00 51.06 O +ATOM 1285 CB ASP A 161 -6.257 -1.873 39.183 1.00 60.48 C +ATOM 1286 CG ASP A 161 -6.356 -3.200 38.448 1.00 62.83 C +ATOM 1287 OD1 ASP A 161 -6.043 -3.244 37.236 1.00 62.70 O +ATOM 1288 OD2 ASP A 161 -6.745 -4.199 39.090 1.00 63.11 O +ATOM 1289 N CYS A 162 -7.991 1.268 39.694 1.00 49.03 N +ATOM 1290 CA CYS A 162 -8.048 2.413 40.592 1.00 45.73 C +ATOM 1291 C CYS A 162 -6.679 2.769 41.165 1.00 43.36 C +ATOM 1292 O CYS A 162 -6.575 3.266 42.283 1.00 43.30 O +ATOM 1293 CB CYS A 162 -9.027 2.147 41.734 1.00 47.46 C +ATOM 1294 SG CYS A 162 -10.540 3.140 41.667 1.00 51.68 S +ATOM 1295 N GLU A 163 -5.626 2.484 40.408 1.00 39.49 N +ATOM 1296 CA GLU A 163 -4.275 2.816 40.835 1.00 37.05 C +ATOM 1297 C GLU A 163 -4.019 4.209 40.250 1.00 35.10 C +ATOM 1298 O GLU A 163 -4.293 4.465 39.071 1.00 32.40 O +ATOM 1299 CB GLU A 163 -3.286 1.782 40.306 1.00 38.91 C +ATOM 1300 CG GLU A 163 -3.834 0.358 40.375 1.00 44.46 C +ATOM 1301 CD GLU A 163 -2.753 -0.709 40.440 1.00 46.69 C +ATOM 1302 OE1 GLU A 163 -2.328 -1.058 41.568 1.00 46.27 O +ATOM 1303 OE2 GLU A 163 -2.340 -1.206 39.363 1.00 46.24 O +ATOM 1304 N LEU A 164 -3.508 5.110 41.088 1.00 32.71 N +ATOM 1305 CA LEU A 164 -3.291 6.500 40.701 1.00 27.75 C +ATOM 1306 C LEU A 164 -1.854 6.984 40.687 1.00 28.51 C +ATOM 1307 O LEU A 164 -1.011 6.532 41.477 1.00 28.49 O +ATOM 1308 CB LEU A 164 -4.112 7.387 41.637 1.00 24.74 C +ATOM 1309 CG LEU A 164 -4.072 8.915 41.608 1.00 24.13 C +ATOM 1310 CD1 LEU A 164 -5.434 9.420 42.109 1.00 18.26 C +ATOM 1311 CD2 LEU A 164 -2.922 9.454 42.489 1.00 19.46 C +ATOM 1312 N LYS A 165 -1.596 7.932 39.789 1.00 27.53 N +ATOM 1313 CA LYS A 165 -0.280 8.541 39.641 1.00 26.14 C +ATOM 1314 C LYS A 165 -0.437 10.053 39.506 1.00 24.15 C +ATOM 1315 O LYS A 165 -1.310 10.528 38.788 1.00 24.03 O +ATOM 1316 CB LYS A 165 0.419 7.984 38.409 1.00 29.07 C +ATOM 1317 CG LYS A 165 1.889 8.268 38.365 1.00 35.43 C +ATOM 1318 CD LYS A 165 2.598 7.243 37.519 1.00 35.67 C +ATOM 1319 CE LYS A 165 2.277 5.844 37.986 1.00 33.53 C +ATOM 1320 NZ LYS A 165 3.201 4.904 37.312 1.00 39.83 N +ATOM 1321 N ILE A 166 0.404 10.808 40.198 1.00 21.99 N +ATOM 1322 CA ILE A 166 0.320 12.257 40.143 1.00 19.99 C +ATOM 1323 C ILE A 166 1.134 12.725 38.950 1.00 21.39 C +ATOM 1324 O ILE A 166 2.298 12.382 38.831 1.00 22.15 O +ATOM 1325 CB ILE A 166 0.855 12.881 41.442 1.00 18.10 C +ATOM 1326 CG1 ILE A 166 0.014 12.383 42.624 1.00 15.89 C +ATOM 1327 CG2 ILE A 166 0.837 14.390 41.336 1.00 13.90 C +ATOM 1328 CD1 ILE A 166 0.465 12.864 44.003 1.00 13.16 C +ATOM 1329 N LEU A 167 0.509 13.507 38.071 1.00 27.28 N +ATOM 1330 CA LEU A 167 1.137 13.999 36.840 1.00 29.42 C +ATOM 1331 C LEU A 167 1.356 15.490 36.740 1.00 34.27 C +ATOM 1332 O LEU A 167 1.233 16.237 37.709 1.00 30.41 O +ATOM 1333 CB LEU A 167 0.295 13.634 35.619 1.00 28.21 C +ATOM 1334 CG LEU A 167 0.125 12.219 35.102 1.00 33.08 C +ATOM 1335 CD1 LEU A 167 0.866 11.214 35.963 1.00 34.29 C +ATOM 1336 CD2 LEU A 167 -1.367 11.941 35.070 1.00 34.23 C +ATOM 1337 N ASP A 168 1.650 15.890 35.503 1.00 43.16 N +ATOM 1338 CA ASP A 168 1.883 17.272 35.102 1.00 50.44 C +ATOM 1339 C ASP A 168 2.068 18.207 36.274 1.00 52.45 C +ATOM 1340 O ASP A 168 1.117 18.822 36.757 1.00 51.51 O +ATOM 1341 CB ASP A 168 0.728 17.773 34.205 1.00 55.38 C +ATOM 1342 CG ASP A 168 0.241 16.707 33.191 1.00 59.03 C +ATOM 1343 OD1 ASP A 168 1.068 16.141 32.426 1.00 59.37 O +ATOM 1344 OD2 ASP A 168 -0.982 16.442 33.154 1.00 60.93 O +ATOM 1345 N PHE A 169 3.319 18.306 36.708 1.00 56.76 N +ATOM 1346 CA PHE A 169 3.702 19.140 37.831 1.00 61.86 C +ATOM 1347 C PHE A 169 3.567 20.629 37.542 1.00 67.08 C +ATOM 1348 O PHE A 169 3.933 21.113 36.456 1.00 65.77 O +ATOM 1349 CB PHE A 169 5.146 18.818 38.250 1.00 60.22 C +ATOM 1350 CG PHE A 169 5.260 17.574 39.091 1.00 59.38 C +ATOM 1351 CD1 PHE A 169 5.198 16.313 38.496 1.00 54.81 C +ATOM 1352 CD2 PHE A 169 5.327 17.656 40.481 1.00 57.57 C +ATOM 1353 CE1 PHE A 169 5.191 15.162 39.268 1.00 50.90 C +ATOM 1354 CE2 PHE A 169 5.322 16.503 41.260 1.00 54.50 C +ATOM 1355 CZ PHE A 169 5.251 15.258 40.651 1.00 54.54 C +ATOM 1356 N GLY A 170 3.020 21.347 38.521 1.00 71.87 N +ATOM 1357 CA GLY A 170 2.870 22.781 38.376 1.00 79.94 C +ATOM 1358 C GLY A 170 4.256 23.403 38.319 1.00 85.07 C +ATOM 1359 O GLY A 170 4.502 24.315 37.531 1.00 85.43 O +ATOM 1360 N LEU A 171 5.170 22.899 39.152 1.00 89.53 N +ATOM 1361 CA LEU A 171 6.542 23.409 39.191 1.00 92.84 C +ATOM 1362 C LEU A 171 7.086 23.486 37.763 1.00 95.50 C +ATOM 1363 O LEU A 171 7.608 22.496 37.239 1.00 96.65 O +ATOM 1364 CB LEU A 171 7.437 22.495 40.049 1.00 90.75 C +ATOM 1365 CG LEU A 171 8.414 23.124 41.056 1.00 89.30 C +ATOM 1366 CD1 LEU A 171 9.403 22.067 41.502 1.00 87.49 C +ATOM 1367 CD2 LEU A 171 9.151 24.320 40.444 1.00 86.83 C +ATOM 1368 N ALA A 172 6.945 24.661 37.142 0.00 97.63 N +ATOM 1369 CA ALA A 172 7.409 24.895 35.771 0.00 99.39 C +ATOM 1370 C ALA A 172 6.834 26.181 35.166 0.00100.00 C +ATOM 1371 O ALA A 172 7.486 27.227 35.173 0.00100.00 O +ATOM 1372 CB ALA A 172 7.051 23.695 34.873 0.00100.00 C +ATOM 1373 N ARG A 173 5.610 26.087 34.645 0.00100.00 N +ATOM 1374 CA ARG A 173 4.924 27.215 34.013 0.00100.00 C +ATOM 1375 C ARG A 173 4.303 28.224 34.981 0.00100.00 C +ATOM 1376 O ARG A 173 3.374 27.901 35.728 0.00100.00 O +ATOM 1377 CB ARG A 173 3.833 26.703 33.060 0.00 99.63 C +ATOM 1378 CG ARG A 173 4.199 25.434 32.292 0.00 99.62 C +ATOM 1379 CD ARG A 173 3.024 24.939 31.456 0.00100.00 C +ATOM 1380 NE ARG A 173 2.130 24.076 32.225 0.00100.00 N +ATOM 1381 CZ ARG A 173 0.922 23.693 31.822 0.00100.00 C +ATOM 1382 NH1 ARG A 173 0.448 24.096 30.650 0.00100.00 N +ATOM 1383 NH2 ARG A 173 0.185 22.900 32.590 0.00100.00 N +ATOM 1384 N HIS A 174 4.828 29.448 34.948 0.00100.00 N +ATOM 1385 CA HIS A 174 4.357 30.556 35.780 0.00100.00 C +ATOM 1386 C HIS A 174 2.824 30.496 35.869 0.00100.00 C +ATOM 1387 O HIS A 174 2.136 30.329 34.852 0.00100.00 O +ATOM 1388 CB HIS A 174 4.815 31.879 35.141 0.00100.00 C +ATOM 1389 CG HIS A 174 4.835 33.055 36.073 0.00100.00 C +ATOM 1390 ND1 HIS A 174 3.889 34.057 36.018 0.00100.00 N +ATOM 1391 CD2 HIS A 174 5.714 33.421 37.037 0.00100.00 C +ATOM 1392 CE1 HIS A 174 4.184 34.990 36.905 0.00100.00 C +ATOM 1393 NE2 HIS A 174 5.286 34.629 37.536 0.00100.00 N +ATOM 1394 N THR A 175 2.303 30.610 37.092 0.00100.00 N +ATOM 1395 CA THR A 175 0.860 30.570 37.359 0.00100.00 C +ATOM 1396 C THR A 175 0.142 31.814 36.811 0.00100.00 C +ATOM 1397 O THR A 175 0.190 32.884 37.430 0.00100.00 O +ATOM 1398 CB THR A 175 0.610 30.426 38.890 0.00 99.14 C +ATOM 1399 OG1 THR A 175 0.678 29.038 39.244 0.00 98.10 O +ATOM 1400 CG2 THR A 175 -0.754 30.990 39.293 0.00 98.75 C +ATOM 1401 N ASP A 176 -0.526 31.666 35.660 0.00 98.81 N +ATOM 1402 CA ASP A 176 -1.231 32.791 35.035 0.00 96.11 C +ATOM 1403 C ASP A 176 -1.974 32.418 33.740 0.00 92.55 C +ATOM 1404 O ASP A 176 -1.845 31.305 33.223 0.00 89.99 O +ATOM 1405 CB ASP A 176 -0.220 33.905 34.704 0.00 98.12 C +ATOM 1406 CG ASP A 176 -0.394 35.151 35.563 0.00 99.02 C +ATOM 1407 OD1 ASP A 176 -1.441 35.825 35.449 0.00 98.80 O +ATOM 1408 OD2 ASP A 176 0.529 35.463 36.347 0.00 97.85 O +ATOM 1409 N ASP A 177 -2.754 33.383 33.247 1.00 89.75 N +ATOM 1410 CA ASP A 177 -3.511 33.293 31.993 1.00 85.98 C +ATOM 1411 C ASP A 177 -4.802 32.483 31.876 1.00 82.29 C +ATOM 1412 O ASP A 177 -5.817 32.986 31.386 1.00 79.33 O +ATOM 1413 CB ASP A 177 -2.578 32.849 30.869 1.00 88.46 C +ATOM 1414 CG ASP A 177 -3.237 32.936 29.519 1.00 91.91 C +ATOM 1415 OD1 ASP A 177 -3.914 33.956 29.268 1.00 93.09 O +ATOM 1416 OD2 ASP A 177 -3.083 31.990 28.717 1.00 93.01 O +ATOM 1417 N GLU A 178 -4.755 31.226 32.300 1.00 77.58 N +ATOM 1418 CA GLU A 178 -5.906 30.337 32.202 1.00 71.40 C +ATOM 1419 C GLU A 178 -6.756 30.201 33.465 1.00 65.52 C +ATOM 1420 O GLU A 178 -7.508 29.248 33.593 1.00 63.42 O +ATOM 1421 CB GLU A 178 -5.421 28.951 31.765 1.00 75.27 C +ATOM 1422 CG GLU A 178 -4.385 28.975 30.637 1.00 81.01 C +ATOM 1423 CD GLU A 178 -2.997 28.522 31.083 1.00 83.32 C +ATOM 1424 OE1 GLU A 178 -2.231 29.357 31.619 1.00 86.07 O +ATOM 1425 OE2 GLU A 178 -2.671 27.329 30.894 1.00 83.66 O +ATOM 1426 N MET A 179 -6.656 31.156 34.384 1.00 60.37 N +ATOM 1427 CA MET A 179 -7.416 31.110 35.644 1.00 54.78 C +ATOM 1428 C MET A 179 -8.641 32.025 35.731 1.00 49.04 C +ATOM 1429 O MET A 179 -9.229 32.186 36.808 1.00 43.70 O +ATOM 1430 CB MET A 179 -6.482 31.447 36.805 1.00 55.24 C +ATOM 1431 CG MET A 179 -5.100 30.898 36.627 1.00 54.89 C +ATOM 1432 SD MET A 179 -5.095 29.170 37.021 1.00 54.53 S +ATOM 1433 CE MET A 179 -3.862 29.153 38.286 1.00 57.03 C +ATOM 1434 N THR A 180 -9.012 32.615 34.601 1.00 43.18 N +ATOM 1435 CA THR A 180 -10.146 33.533 34.521 1.00 39.82 C +ATOM 1436 C THR A 180 -11.492 32.844 34.252 1.00 37.93 C +ATOM 1437 O THR A 180 -11.586 31.902 33.448 1.00 37.50 O +ATOM 1438 CB THR A 180 -9.898 34.587 33.409 1.00 38.31 C +ATOM 1439 OG1 THR A 180 -8.610 35.182 33.595 1.00 39.14 O +ATOM 1440 CG2 THR A 180 -10.938 35.668 33.450 1.00 37.87 C +ATOM 1441 N GLY A 181 -12.529 33.321 34.935 1.00 34.56 N +ATOM 1442 CA GLY A 181 -13.862 32.768 34.748 1.00 34.31 C +ATOM 1443 C GLY A 181 -14.187 31.424 35.383 1.00 33.63 C +ATOM 1444 O GLY A 181 -13.549 30.998 36.356 1.00 32.47 O +ATOM 1445 N TYR A 182 -15.207 30.774 34.815 1.00 33.52 N +ATOM 1446 CA TYR A 182 -15.706 29.463 35.246 1.00 31.68 C +ATOM 1447 C TYR A 182 -14.752 28.427 34.663 1.00 31.62 C +ATOM 1448 O TYR A 182 -15.030 27.825 33.616 1.00 31.70 O +ATOM 1449 CB TYR A 182 -17.135 29.257 34.693 1.00 29.46 C +ATOM 1450 CG TYR A 182 -17.938 28.134 35.334 1.00 28.57 C +ATOM 1451 CD1 TYR A 182 -18.333 28.210 36.678 1.00 30.82 C +ATOM 1452 CD2 TYR A 182 -18.280 26.986 34.612 1.00 25.73 C +ATOM 1453 CE1 TYR A 182 -19.051 27.162 37.297 1.00 28.94 C +ATOM 1454 CE2 TYR A 182 -18.995 25.934 35.216 1.00 28.20 C +ATOM 1455 CZ TYR A 182 -19.376 26.024 36.561 1.00 29.40 C +ATOM 1456 OH TYR A 182 -20.057 24.988 37.179 1.00 24.57 O +ATOM 1457 N VAL A 183 -13.614 28.237 35.323 1.00 29.56 N +ATOM 1458 CA VAL A 183 -12.632 27.276 34.833 1.00 29.11 C +ATOM 1459 C VAL A 183 -12.054 26.386 35.941 1.00 31.65 C +ATOM 1460 O VAL A 183 -11.630 26.869 36.998 1.00 31.11 O +ATOM 1461 CB VAL A 183 -11.485 27.999 34.055 1.00 25.31 C +ATOM 1462 CG1 VAL A 183 -12.067 28.715 32.840 1.00 21.98 C +ATOM 1463 CG2 VAL A 183 -10.755 28.990 34.962 1.00 22.84 C +ATOM 1464 N ALA A 184 -12.059 25.081 35.676 1.00 30.61 N +ATOM 1465 CA ALA A 184 -11.566 24.082 36.609 1.00 30.80 C +ATOM 1466 C ALA A 184 -10.096 24.242 36.955 1.00 30.21 C +ATOM 1467 O ALA A 184 -9.622 23.727 37.961 1.00 30.72 O +ATOM 1468 CB ALA A 184 -11.813 22.716 36.038 1.00 30.52 C +ATOM 1469 N THR A 185 -9.368 24.957 36.117 1.00 32.83 N +ATOM 1470 CA THR A 185 -7.948 25.159 36.365 1.00 36.84 C +ATOM 1471 C THR A 185 -7.715 25.959 37.646 1.00 35.90 C +ATOM 1472 O THR A 185 -6.574 26.068 38.102 1.00 42.10 O +ATOM 1473 CB THR A 185 -7.280 25.910 35.189 1.00 39.54 C +ATOM 1474 OG1 THR A 185 -8.087 27.038 34.826 1.00 45.81 O +ATOM 1475 CG2 THR A 185 -7.143 25.007 33.972 1.00 41.10 C +ATOM 1476 N ARG A 186 -8.796 26.493 38.229 1.00 31.38 N +ATOM 1477 CA ARG A 186 -8.724 27.315 39.439 1.00 24.30 C +ATOM 1478 C ARG A 186 -9.572 26.832 40.636 1.00 24.87 C +ATOM 1479 O ARG A 186 -9.360 27.257 41.782 1.00 21.67 O +ATOM 1480 CB ARG A 186 -9.131 28.748 39.081 1.00 22.16 C +ATOM 1481 CG ARG A 186 -8.517 29.836 39.943 1.00 21.38 C +ATOM 1482 CD ARG A 186 -9.325 31.106 39.825 1.00 20.89 C +ATOM 1483 NE ARG A 186 -10.745 30.837 40.018 1.00 20.64 N +ATOM 1484 CZ ARG A 186 -11.696 31.108 39.129 1.00 19.60 C +ATOM 1485 NH1 ARG A 186 -11.390 31.664 37.967 1.00 18.04 N +ATOM 1486 NH2 ARG A 186 -12.957 30.804 39.401 1.00 14.42 N +ATOM 1487 N TRP A 187 -10.518 25.936 40.378 1.00 21.64 N +ATOM 1488 CA TRP A 187 -11.398 25.451 41.434 1.00 21.39 C +ATOM 1489 C TRP A 187 -10.721 24.649 42.542 1.00 20.87 C +ATOM 1490 O TRP A 187 -11.314 24.444 43.609 1.00 18.84 O +ATOM 1491 CB TRP A 187 -12.537 24.617 40.833 1.00 20.75 C +ATOM 1492 CG TRP A 187 -13.423 25.368 39.901 1.00 18.94 C +ATOM 1493 CD1 TRP A 187 -13.665 26.707 39.893 1.00 17.78 C +ATOM 1494 CD2 TRP A 187 -14.166 24.819 38.817 1.00 18.68 C +ATOM 1495 NE1 TRP A 187 -14.516 27.027 38.867 1.00 16.74 N +ATOM 1496 CE2 TRP A 187 -14.842 25.885 38.193 1.00 15.49 C +ATOM 1497 CE3 TRP A 187 -14.330 23.524 38.315 1.00 21.31 C +ATOM 1498 CZ2 TRP A 187 -15.665 25.700 37.092 1.00 17.05 C +ATOM 1499 CZ3 TRP A 187 -15.151 23.340 37.214 1.00 22.06 C +ATOM 1500 CH2 TRP A 187 -15.811 24.426 36.618 1.00 19.60 C +ATOM 1501 N TYR A 188 -9.489 24.202 42.292 1.00 21.70 N +ATOM 1502 CA TYR A 188 -8.739 23.408 43.274 1.00 22.42 C +ATOM 1503 C TYR A 188 -7.644 24.176 44.008 1.00 22.74 C +ATOM 1504 O TYR A 188 -6.990 23.618 44.897 1.00 22.72 O +ATOM 1505 CB TYR A 188 -8.154 22.160 42.597 1.00 17.75 C +ATOM 1506 CG TYR A 188 -9.217 21.392 41.859 1.00 18.42 C +ATOM 1507 CD1 TYR A 188 -9.589 21.762 40.562 1.00 19.03 C +ATOM 1508 CD2 TYR A 188 -9.937 20.378 42.487 1.00 17.34 C +ATOM 1509 CE1 TYR A 188 -10.652 21.161 39.917 1.00 14.44 C +ATOM 1510 CE2 TYR A 188 -11.011 19.764 41.844 1.00 19.28 C +ATOM 1511 CZ TYR A 188 -11.366 20.171 40.559 1.00 17.77 C +ATOM 1512 OH TYR A 188 -12.468 19.637 39.936 1.00 18.96 O +ATOM 1513 N ARG A 189 -7.475 25.454 43.655 1.00 24.86 N +ATOM 1514 CA ARG A 189 -6.463 26.332 44.262 1.00 26.39 C +ATOM 1515 C ARG A 189 -6.794 26.877 45.648 1.00 25.57 C +ATOM 1516 O ARG A 189 -7.930 27.307 45.903 1.00 23.71 O +ATOM 1517 CB ARG A 189 -6.211 27.526 43.356 1.00 26.74 C +ATOM 1518 CG ARG A 189 -5.446 27.207 42.131 1.00 31.79 C +ATOM 1519 CD ARG A 189 -5.021 28.496 41.473 1.00 41.28 C +ATOM 1520 NE ARG A 189 -3.572 28.588 41.438 1.00 46.33 N +ATOM 1521 CZ ARG A 189 -2.798 27.670 40.873 1.00 49.04 C +ATOM 1522 NH1 ARG A 189 -3.337 26.596 40.300 1.00 50.32 N +ATOM 1523 NH2 ARG A 189 -1.485 27.817 40.890 1.00 52.51 N +ATOM 1524 N ALA A 190 -5.795 26.874 46.534 1.00 24.38 N +ATOM 1525 CA ALA A 190 -5.975 27.410 47.881 1.00 22.67 C +ATOM 1526 C ALA A 190 -6.200 28.908 47.680 1.00 24.57 C +ATOM 1527 O ALA A 190 -5.623 29.523 46.767 1.00 23.17 O +ATOM 1528 CB ALA A 190 -4.722 27.164 48.732 1.00 21.15 C +ATOM 1529 N PRO A 191 -7.035 29.522 48.528 1.00 25.03 N +ATOM 1530 CA PRO A 191 -7.328 30.955 48.419 1.00 26.17 C +ATOM 1531 C PRO A 191 -6.085 31.839 48.416 1.00 29.00 C +ATOM 1532 O PRO A 191 -5.983 32.773 47.621 1.00 31.87 O +ATOM 1533 CB PRO A 191 -8.229 31.236 49.624 1.00 26.71 C +ATOM 1534 CG PRO A 191 -8.058 30.053 50.541 1.00 25.49 C +ATOM 1535 CD PRO A 191 -7.731 28.894 49.663 1.00 25.22 C +ATOM 1536 N GLU A 192 -5.144 31.530 49.304 1.00 29.60 N +ATOM 1537 CA GLU A 192 -3.913 32.305 49.429 1.00 30.49 C +ATOM 1538 C GLU A 192 -2.999 32.265 48.204 1.00 29.70 C +ATOM 1539 O GLU A 192 -2.291 33.225 47.949 1.00 30.03 O +ATOM 1540 CB GLU A 192 -3.137 31.886 50.701 1.00 30.92 C +ATOM 1541 CG GLU A 192 -2.337 30.577 50.611 1.00 31.35 C +ATOM 1542 CD GLU A 192 -3.143 29.347 51.032 1.00 30.49 C +ATOM 1543 OE1 GLU A 192 -4.357 29.488 51.310 1.00 28.50 O +ATOM 1544 OE2 GLU A 192 -2.559 28.241 51.080 1.00 29.62 O +ATOM 1545 N ILE A 193 -2.987 31.168 47.453 1.00 29.67 N +ATOM 1546 CA ILE A 193 -2.155 31.126 46.256 1.00 29.43 C +ATOM 1547 C ILE A 193 -2.997 31.722 45.119 1.00 30.88 C +ATOM 1548 O ILE A 193 -2.473 32.366 44.215 1.00 31.97 O +ATOM 1549 CB ILE A 193 -1.682 29.671 45.924 1.00 28.79 C +ATOM 1550 CG1 ILE A 193 -0.912 29.641 44.605 1.00 32.16 C +ATOM 1551 CG2 ILE A 193 -2.851 28.734 45.831 1.00 32.35 C +ATOM 1552 CD1 ILE A 193 -0.216 28.303 44.333 1.00 33.06 C +ATOM 1553 N MET A 194 -4.314 31.551 45.207 1.00 31.86 N +ATOM 1554 CA MET A 194 -5.239 32.071 44.199 1.00 30.68 C +ATOM 1555 C MET A 194 -5.325 33.599 44.142 1.00 30.20 C +ATOM 1556 O MET A 194 -5.403 34.179 43.063 1.00 27.31 O +ATOM 1557 CB MET A 194 -6.639 31.496 44.440 1.00 30.65 C +ATOM 1558 CG MET A 194 -7.716 32.083 43.551 1.00 28.19 C +ATOM 1559 SD MET A 194 -9.308 31.267 43.762 1.00 28.11 S +ATOM 1560 CE MET A 194 -10.062 32.350 44.982 1.00 24.02 C +ATOM 1561 N LEU A 195 -5.331 34.238 45.305 1.00 31.32 N +ATOM 1562 CA LEU A 195 -5.407 35.691 45.388 1.00 31.45 C +ATOM 1563 C LEU A 195 -4.058 36.275 45.790 1.00 31.78 C +ATOM 1564 O LEU A 195 -3.958 37.446 46.154 1.00 29.78 O +ATOM 1565 CB LEU A 195 -6.453 36.105 46.419 1.00 29.18 C +ATOM 1566 CG LEU A 195 -7.815 36.633 45.969 1.00 32.25 C +ATOM 1567 CD1 LEU A 195 -7.907 36.797 44.446 1.00 30.49 C +ATOM 1568 CD2 LEU A 195 -8.850 35.665 46.475 1.00 31.94 C +ATOM 1569 N ASN A 196 -3.026 35.442 45.732 1.00 32.92 N +ATOM 1570 CA ASN A 196 -1.673 35.853 46.084 1.00 36.49 C +ATOM 1571 C ASN A 196 -1.567 36.605 47.406 1.00 35.40 C +ATOM 1572 O ASN A 196 -0.864 37.594 47.508 1.00 35.56 O +ATOM 1573 CB ASN A 196 -1.074 36.715 44.973 1.00 41.70 C +ATOM 1574 CG ASN A 196 0.390 36.414 44.753 1.00 49.58 C +ATOM 1575 OD1 ASN A 196 1.227 37.319 44.645 1.00 52.70 O +ATOM 1576 ND2 ASN A 196 0.714 35.125 44.692 1.00 52.22 N +ATOM 1577 N TRP A 197 -2.252 36.110 48.421 1.00 35.63 N +ATOM 1578 CA TRP A 197 -2.258 36.729 49.736 1.00 37.30 C +ATOM 1579 C TRP A 197 -0.905 36.698 50.442 1.00 40.37 C +ATOM 1580 O TRP A 197 -0.530 37.643 51.148 1.00 41.26 O +ATOM 1581 CB TRP A 197 -3.249 36.002 50.627 1.00 36.62 C +ATOM 1582 CG TRP A 197 -4.658 36.262 50.338 1.00 33.10 C +ATOM 1583 CD1 TRP A 197 -5.183 37.282 49.594 1.00 31.71 C +ATOM 1584 CD2 TRP A 197 -5.759 35.546 50.883 1.00 32.35 C +ATOM 1585 NE1 TRP A 197 -6.553 37.245 49.653 1.00 31.46 N +ATOM 1586 CE2 TRP A 197 -6.936 36.190 50.440 1.00 33.31 C +ATOM 1587 CE3 TRP A 197 -5.868 34.418 51.712 1.00 34.09 C +ATOM 1588 CZ2 TRP A 197 -8.216 35.743 50.800 1.00 34.84 C +ATOM 1589 CZ3 TRP A 197 -7.137 33.972 52.075 1.00 33.92 C +ATOM 1590 CH2 TRP A 197 -8.297 34.637 51.619 1.00 35.23 C +ATOM 1591 N MET A 198 -0.194 35.589 50.271 1.00 42.42 N +ATOM 1592 CA MET A 198 1.089 35.398 50.923 1.00 45.66 C +ATOM 1593 C MET A 198 1.930 34.420 50.118 1.00 49.05 C +ATOM 1594 O MET A 198 1.514 33.957 49.049 1.00 48.47 O +ATOM 1595 CB MET A 198 0.859 34.816 52.312 1.00 44.97 C +ATOM 1596 CG MET A 198 0.194 33.446 52.272 1.00 44.62 C +ATOM 1597 SD MET A 198 -0.582 33.029 53.845 1.00 47.55 S +ATOM 1598 CE MET A 198 -2.090 33.965 53.762 1.00 45.94 C +ATOM 1599 N HIS A 199 3.122 34.124 50.632 1.00 53.62 N +ATOM 1600 CA HIS A 199 4.012 33.169 49.988 1.00 57.73 C +ATOM 1601 C HIS A 199 3.426 31.856 50.464 1.00 58.17 C +ATOM 1602 O HIS A 199 3.354 31.612 51.670 1.00 58.49 O +ATOM 1603 CB HIS A 199 5.456 33.330 50.491 1.00 63.05 C +ATOM 1604 CG HIS A 199 6.247 34.370 49.750 1.00 71.61 C +ATOM 1605 ND1 HIS A 199 7.591 34.228 49.471 1.00 75.65 N +ATOM 1606 CD2 HIS A 199 5.884 35.573 49.237 1.00 74.65 C +ATOM 1607 CE1 HIS A 199 8.021 35.295 48.819 1.00 77.14 C +ATOM 1608 NE2 HIS A 199 7.005 36.126 48.664 1.00 76.81 N +ATOM 1609 N TYR A 200 2.982 31.026 49.525 1.00 57.15 N +ATOM 1610 CA TYR A 200 2.369 29.746 49.857 1.00 56.32 C +ATOM 1611 C TYR A 200 3.374 28.661 50.231 1.00 53.48 C +ATOM 1612 O TYR A 200 4.536 28.698 49.828 1.00 51.94 O +ATOM 1613 CB TYR A 200 1.541 29.261 48.674 1.00 58.78 C +ATOM 1614 CG TYR A 200 2.393 29.022 47.457 1.00 63.44 C +ATOM 1615 CD1 TYR A 200 3.252 27.924 47.393 1.00 64.54 C +ATOM 1616 CD2 TYR A 200 2.414 29.939 46.410 1.00 64.56 C +ATOM 1617 CE1 TYR A 200 4.115 27.751 46.330 1.00 65.58 C +ATOM 1618 CE2 TYR A 200 3.277 29.773 45.337 1.00 64.97 C +ATOM 1619 CZ TYR A 200 4.128 28.681 45.309 1.00 66.42 C +ATOM 1620 OH TYR A 200 5.031 28.539 44.283 1.00 71.69 O +ATOM 1621 N ASN A 201 2.911 27.691 51.005 1.00 50.57 N +ATOM 1622 CA ASN A 201 3.751 26.576 51.408 1.00 48.11 C +ATOM 1623 C ASN A 201 3.210 25.300 50.760 1.00 44.03 C +ATOM 1624 O ASN A 201 2.392 25.356 49.832 1.00 43.78 O +ATOM 1625 CB ASN A 201 3.778 26.434 52.931 1.00 51.23 C +ATOM 1626 CG ASN A 201 2.405 26.210 53.521 1.00 57.65 C +ATOM 1627 OD1 ASN A 201 2.273 25.742 54.661 1.00 60.92 O +ATOM 1628 ND2 ASN A 201 1.365 26.543 52.756 1.00 60.56 N +ATOM 1629 N GLN A 202 3.662 24.151 51.238 1.00 36.86 N +ATOM 1630 CA GLN A 202 3.235 22.888 50.665 1.00 31.54 C +ATOM 1631 C GLN A 202 1.790 22.525 50.921 1.00 29.14 C +ATOM 1632 O GLN A 202 1.224 21.685 50.219 1.00 30.39 O +ATOM 1633 CB GLN A 202 4.116 21.776 51.188 1.00 31.71 C +ATOM 1634 CG GLN A 202 5.580 22.036 51.012 1.00 34.60 C +ATOM 1635 CD GLN A 202 6.400 20.955 51.651 1.00 35.81 C +ATOM 1636 OE1 GLN A 202 7.495 20.638 51.185 1.00 40.79 O +ATOM 1637 NE2 GLN A 202 5.876 20.371 52.735 1.00 33.09 N +ATOM 1638 N THR A 203 1.188 23.147 51.927 1.00 27.68 N +ATOM 1639 CA THR A 203 -0.192 22.847 52.251 1.00 26.92 C +ATOM 1640 C THR A 203 -1.167 23.361 51.206 1.00 23.94 C +ATOM 1641 O THR A 203 -2.369 23.147 51.313 1.00 25.94 O +ATOM 1642 CB THR A 203 -0.589 23.397 53.629 1.00 28.67 C +ATOM 1643 OG1 THR A 203 -0.115 24.735 53.764 1.00 29.04 O +ATOM 1644 CG2 THR A 203 0.001 22.522 54.738 1.00 28.85 C +ATOM 1645 N VAL A 204 -0.674 24.046 50.192 1.00 20.75 N +ATOM 1646 CA VAL A 204 -1.595 24.498 49.169 1.00 21.09 C +ATOM 1647 C VAL A 204 -2.038 23.231 48.437 1.00 19.28 C +ATOM 1648 O VAL A 204 -3.151 23.154 47.920 1.00 19.28 O +ATOM 1649 CB VAL A 204 -0.922 25.493 48.179 1.00 21.42 C +ATOM 1650 CG1 VAL A 204 -0.471 26.744 48.946 1.00 19.85 C +ATOM 1651 CG2 VAL A 204 0.270 24.820 47.449 1.00 21.64 C +ATOM 1652 N ASP A 205 -1.163 22.228 48.416 1.00 17.53 N +ATOM 1653 CA ASP A 205 -1.474 20.974 47.750 1.00 18.42 C +ATOM 1654 C ASP A 205 -2.509 20.200 48.567 1.00 21.73 C +ATOM 1655 O ASP A 205 -3.375 19.504 48.004 1.00 22.57 O +ATOM 1656 CB ASP A 205 -0.205 20.145 47.574 1.00 18.77 C +ATOM 1657 CG ASP A 205 0.726 20.718 46.513 1.00 21.75 C +ATOM 1658 OD1 ASP A 205 0.258 21.452 45.612 1.00 18.40 O +ATOM 1659 OD2 ASP A 205 1.935 20.426 46.587 1.00 23.32 O +ATOM 1660 N ILE A 206 -2.422 20.327 49.893 1.00 21.99 N +ATOM 1661 CA ILE A 206 -3.370 19.658 50.779 1.00 21.42 C +ATOM 1662 C ILE A 206 -4.763 20.252 50.565 1.00 21.86 C +ATOM 1663 O ILE A 206 -5.761 19.521 50.572 1.00 24.55 O +ATOM 1664 CB ILE A 206 -3.002 19.808 52.296 1.00 22.22 C +ATOM 1665 CG1 ILE A 206 -1.748 18.990 52.635 1.00 19.55 C +ATOM 1666 CG2 ILE A 206 -4.183 19.326 53.161 1.00 20.35 C +ATOM 1667 CD1 ILE A 206 -1.947 17.494 52.538 1.00 16.33 C +ATOM 1668 N TRP A 207 -4.853 21.567 50.378 1.00 19.90 N +ATOM 1669 CA TRP A 207 -6.164 22.171 50.158 1.00 16.00 C +ATOM 1670 C TRP A 207 -6.765 21.556 48.899 1.00 15.12 C +ATOM 1671 O TRP A 207 -7.955 21.270 48.853 1.00 13.92 O +ATOM 1672 CB TRP A 207 -6.035 23.679 50.001 1.00 14.05 C +ATOM 1673 CG TRP A 207 -7.310 24.347 49.655 1.00 15.11 C +ATOM 1674 CD1 TRP A 207 -7.866 24.457 48.404 1.00 17.71 C +ATOM 1675 CD2 TRP A 207 -8.204 25.017 50.555 1.00 16.08 C +ATOM 1676 NE1 TRP A 207 -9.047 25.153 48.472 1.00 20.22 N +ATOM 1677 CE2 TRP A 207 -9.284 25.511 49.778 1.00 18.71 C +ATOM 1678 CE3 TRP A 207 -8.201 25.250 51.941 1.00 17.49 C +ATOM 1679 CZ2 TRP A 207 -10.359 26.227 50.346 1.00 16.95 C +ATOM 1680 CZ3 TRP A 207 -9.269 25.960 52.503 1.00 19.06 C +ATOM 1681 CH2 TRP A 207 -10.335 26.440 51.698 1.00 16.18 C +ATOM 1682 N SER A 208 -5.914 21.341 47.896 1.00 13.27 N +ATOM 1683 CA SER A 208 -6.309 20.748 46.619 1.00 13.94 C +ATOM 1684 C SER A 208 -6.857 19.338 46.791 1.00 15.02 C +ATOM 1685 O SER A 208 -7.875 18.981 46.191 1.00 16.68 O +ATOM 1686 CB SER A 208 -5.116 20.733 45.671 1.00 13.71 C +ATOM 1687 OG SER A 208 -4.711 22.057 45.360 1.00 12.48 O +ATOM 1688 N VAL A 209 -6.178 18.528 47.599 1.00 16.53 N +ATOM 1689 CA VAL A 209 -6.643 17.162 47.867 1.00 17.39 C +ATOM 1690 C VAL A 209 -8.038 17.195 48.485 1.00 17.05 C +ATOM 1691 O VAL A 209 -8.867 16.355 48.183 1.00 19.52 O +ATOM 1692 CB VAL A 209 -5.731 16.421 48.856 1.00 14.22 C +ATOM 1693 CG1 VAL A 209 -6.295 15.045 49.143 1.00 15.06 C +ATOM 1694 CG2 VAL A 209 -4.338 16.320 48.284 1.00 15.96 C +ATOM 1695 N GLY A 210 -8.281 18.164 49.365 1.00 19.76 N +ATOM 1696 CA GLY A 210 -9.578 18.282 50.004 1.00 18.00 C +ATOM 1697 C GLY A 210 -10.670 18.534 48.990 1.00 17.97 C +ATOM 1698 O GLY A 210 -11.751 17.943 49.059 1.00 20.49 O +ATOM 1699 N CYS A 211 -10.388 19.418 48.039 1.00 17.83 N +ATOM 1700 CA CYS A 211 -11.349 19.750 46.993 1.00 16.69 C +ATOM 1701 C CYS A 211 -11.621 18.508 46.168 1.00 16.33 C +ATOM 1702 O CYS A 211 -12.771 18.209 45.852 1.00 15.93 O +ATOM 1703 CB CYS A 211 -10.806 20.861 46.079 1.00 14.53 C +ATOM 1704 SG CYS A 211 -10.614 22.468 46.890 1.00 17.73 S +ATOM 1705 N ILE A 212 -10.555 17.793 45.813 1.00 17.84 N +ATOM 1706 CA ILE A 212 -10.680 16.566 45.025 1.00 18.90 C +ATOM 1707 C ILE A 212 -11.497 15.524 45.808 1.00 18.45 C +ATOM 1708 O ILE A 212 -12.493 14.989 45.315 1.00 17.55 O +ATOM 1709 CB ILE A 212 -9.282 16.007 44.674 1.00 18.36 C +ATOM 1710 CG1 ILE A 212 -8.612 16.929 43.649 1.00 16.35 C +ATOM 1711 CG2 ILE A 212 -9.403 14.597 44.098 1.00 18.59 C +ATOM 1712 CD1 ILE A 212 -7.108 16.780 43.582 1.00 17.83 C +ATOM 1713 N MET A 213 -11.074 15.260 47.036 1.00 19.16 N +ATOM 1714 CA MET A 213 -11.759 14.322 47.912 1.00 20.62 C +ATOM 1715 C MET A 213 -13.255 14.653 48.065 1.00 21.94 C +ATOM 1716 O MET A 213 -14.107 13.768 47.939 1.00 26.24 O +ATOM 1717 CB MET A 213 -11.096 14.316 49.301 1.00 18.25 C +ATOM 1718 CG MET A 213 -11.902 13.555 50.351 1.00 21.39 C +ATOM 1719 SD MET A 213 -10.967 13.054 51.798 1.00 21.48 S +ATOM 1720 CE MET A 213 -12.254 12.364 52.830 1.00 20.74 C +ATOM 1721 N ALA A 214 -13.580 15.912 48.353 1.00 22.27 N +ATOM 1722 CA ALA A 214 -14.975 16.294 48.525 1.00 19.83 C +ATOM 1723 C ALA A 214 -15.752 16.065 47.230 1.00 20.85 C +ATOM 1724 O ALA A 214 -16.931 15.727 47.247 1.00 23.29 O +ATOM 1725 CB ALA A 214 -15.060 17.735 48.939 1.00 16.57 C +ATOM 1726 N GLU A 215 -15.089 16.233 46.096 1.00 18.97 N +ATOM 1727 CA GLU A 215 -15.757 16.032 44.830 1.00 16.44 C +ATOM 1728 C GLU A 215 -15.946 14.553 44.504 1.00 19.04 C +ATOM 1729 O GLU A 215 -16.821 14.195 43.718 1.00 18.34 O +ATOM 1730 CB GLU A 215 -14.959 16.707 43.730 1.00 19.62 C +ATOM 1731 CG GLU A 215 -15.605 16.632 42.377 1.00 19.01 C +ATOM 1732 CD GLU A 215 -14.814 17.369 41.350 1.00 22.46 C +ATOM 1733 OE1 GLU A 215 -14.075 18.297 41.737 1.00 23.48 O +ATOM 1734 OE2 GLU A 215 -14.923 17.026 40.158 1.00 27.45 O +ATOM 1735 N LEU A 216 -15.123 13.692 45.100 1.00 20.84 N +ATOM 1736 CA LEU A 216 -15.224 12.254 44.856 1.00 20.95 C +ATOM 1737 C LEU A 216 -16.406 11.719 45.641 1.00 21.50 C +ATOM 1738 O LEU A 216 -17.057 10.754 45.234 1.00 22.08 O +ATOM 1739 CB LEU A 216 -13.943 11.531 45.301 1.00 22.07 C +ATOM 1740 CG LEU A 216 -12.727 11.686 44.383 1.00 21.46 C +ATOM 1741 CD1 LEU A 216 -11.604 10.752 44.763 1.00 20.69 C +ATOM 1742 CD2 LEU A 216 -13.160 11.410 42.997 1.00 19.95 C +ATOM 1743 N LEU A 217 -16.686 12.370 46.766 1.00 21.71 N +ATOM 1744 CA LEU A 217 -17.783 11.977 47.643 1.00 21.05 C +ATOM 1745 C LEU A 217 -19.155 12.475 47.181 1.00 22.56 C +ATOM 1746 O LEU A 217 -20.125 11.720 47.157 1.00 26.08 O +ATOM 1747 CB LEU A 217 -17.515 12.485 49.063 1.00 18.68 C +ATOM 1748 CG LEU A 217 -16.314 11.882 49.785 1.00 19.35 C +ATOM 1749 CD1 LEU A 217 -15.828 12.821 50.861 1.00 17.79 C +ATOM 1750 CD2 LEU A 217 -16.719 10.543 50.373 1.00 17.94 C +ATOM 1751 N THR A 218 -19.232 13.745 46.814 1.00 21.78 N +ATOM 1752 CA THR A 218 -20.491 14.337 46.399 1.00 20.21 C +ATOM 1753 C THR A 218 -20.751 14.210 44.923 1.00 22.19 C +ATOM 1754 O THR A 218 -21.900 14.259 44.485 1.00 24.12 O +ATOM 1755 CB THR A 218 -20.514 15.822 46.701 1.00 19.19 C +ATOM 1756 OG1 THR A 218 -19.580 16.478 45.832 1.00 20.34 O +ATOM 1757 CG2 THR A 218 -20.142 16.080 48.148 1.00 12.99 C +ATOM 1758 N GLY A 219 -19.680 14.078 44.154 1.00 23.01 N +ATOM 1759 CA GLY A 219 -19.813 13.984 42.712 1.00 23.62 C +ATOM 1760 C GLY A 219 -19.945 15.369 42.087 1.00 25.64 C +ATOM 1761 O GLY A 219 -20.207 15.496 40.889 1.00 25.86 O +ATOM 1762 N ARG A 220 -19.745 16.404 42.907 1.00 25.55 N +ATOM 1763 CA ARG A 220 -19.849 17.803 42.485 1.00 24.09 C +ATOM 1764 C ARG A 220 -18.582 18.571 42.832 1.00 25.10 C +ATOM 1765 O ARG A 220 -17.888 18.245 43.799 1.00 24.98 O +ATOM 1766 CB ARG A 220 -20.998 18.515 43.215 1.00 25.35 C +ATOM 1767 CG ARG A 220 -22.334 17.847 43.171 1.00 28.62 C +ATOM 1768 CD ARG A 220 -22.938 18.001 41.802 1.00 33.07 C +ATOM 1769 NE ARG A 220 -23.729 16.824 41.466 1.00 42.94 N +ATOM 1770 CZ ARG A 220 -24.049 16.453 40.225 1.00 44.63 C +ATOM 1771 NH1 ARG A 220 -23.633 17.163 39.169 1.00 42.26 N +ATOM 1772 NH2 ARG A 220 -24.783 15.359 40.039 1.00 44.34 N +ATOM 1773 N THR A 221 -18.297 19.605 42.053 1.00 21.69 N +ATOM 1774 CA THR A 221 -17.153 20.456 42.332 1.00 22.04 C +ATOM 1775 C THR A 221 -17.432 21.220 43.629 1.00 21.59 C +ATOM 1776 O THR A 221 -18.490 21.826 43.792 1.00 20.03 O +ATOM 1777 CB THR A 221 -16.951 21.470 41.229 1.00 19.60 C +ATOM 1778 OG1 THR A 221 -16.985 20.796 39.971 1.00 20.77 O +ATOM 1779 CG2 THR A 221 -15.626 22.189 41.404 1.00 18.14 C +ATOM 1780 N LEU A 222 -16.483 21.190 44.552 1.00 21.05 N +ATOM 1781 CA LEU A 222 -16.672 21.876 45.807 1.00 19.74 C +ATOM 1782 C LEU A 222 -16.808 23.397 45.631 1.00 20.65 C +ATOM 1783 O LEU A 222 -17.799 23.991 46.076 1.00 22.10 O +ATOM 1784 CB LEU A 222 -15.531 21.526 46.779 1.00 18.76 C +ATOM 1785 CG LEU A 222 -15.713 22.058 48.212 1.00 18.19 C +ATOM 1786 CD1 LEU A 222 -17.031 21.532 48.821 1.00 14.68 C +ATOM 1787 CD2 LEU A 222 -14.521 21.662 49.063 1.00 14.62 C +ATOM 1788 N PHE A 223 -15.845 24.039 44.979 1.00 17.03 N +ATOM 1789 CA PHE A 223 -15.926 25.489 44.816 1.00 16.55 C +ATOM 1790 C PHE A 223 -15.920 25.907 43.355 1.00 19.36 C +ATOM 1791 O PHE A 223 -14.939 26.481 42.892 1.00 19.28 O +ATOM 1792 CB PHE A 223 -14.752 26.158 45.526 1.00 15.07 C +ATOM 1793 CG PHE A 223 -14.586 25.743 46.961 1.00 12.02 C +ATOM 1794 CD1 PHE A 223 -15.591 25.996 47.894 1.00 10.58 C +ATOM 1795 CD2 PHE A 223 -13.411 25.135 47.388 1.00 7.42 C +ATOM 1796 CE1 PHE A 223 -15.423 25.649 49.241 1.00 14.62 C +ATOM 1797 CE2 PHE A 223 -13.231 24.784 48.724 1.00 10.94 C +ATOM 1798 CZ PHE A 223 -14.236 25.041 49.657 1.00 13.10 C +ATOM 1799 N PRO A 224 -17.032 25.677 42.618 1.00 20.76 N +ATOM 1800 CA PRO A 224 -17.088 26.047 41.197 1.00 17.92 C +ATOM 1801 C PRO A 224 -17.330 27.541 40.977 1.00 20.24 C +ATOM 1802 O PRO A 224 -18.348 27.941 40.402 1.00 21.69 O +ATOM 1803 CB PRO A 224 -18.229 25.196 40.662 1.00 16.79 C +ATOM 1804 CG PRO A 224 -19.166 25.080 41.827 1.00 17.16 C +ATOM 1805 CD PRO A 224 -18.320 25.112 43.081 1.00 19.82 C +ATOM 1806 N GLY A 225 -16.382 28.364 41.415 1.00 19.91 N +ATOM 1807 CA GLY A 225 -16.542 29.794 41.262 1.00 19.16 C +ATOM 1808 C GLY A 225 -16.538 30.216 39.817 1.00 20.68 C +ATOM 1809 O GLY A 225 -15.849 29.608 38.997 1.00 18.49 O +ATOM 1810 N THR A 226 -17.313 31.254 39.508 1.00 21.98 N +ATOM 1811 CA THR A 226 -17.398 31.784 38.152 1.00 21.48 C +ATOM 1812 C THR A 226 -16.246 32.752 37.935 1.00 22.05 C +ATOM 1813 O THR A 226 -16.059 33.258 36.835 1.00 24.39 O +ATOM 1814 CB THR A 226 -18.704 32.533 37.932 1.00 20.71 C +ATOM 1815 OG1 THR A 226 -18.838 33.536 38.944 1.00 22.79 O +ATOM 1816 CG2 THR A 226 -19.895 31.573 38.005 1.00 17.23 C +ATOM 1817 N ASP A 227 -15.499 33.022 39.007 1.00 22.82 N +ATOM 1818 CA ASP A 227 -14.325 33.891 38.967 1.00 21.93 C +ATOM 1819 C ASP A 227 -13.686 33.950 40.337 1.00 25.05 C +ATOM 1820 O ASP A 227 -14.297 33.527 41.313 1.00 28.49 O +ATOM 1821 CB ASP A 227 -14.688 35.287 38.515 1.00 26.80 C +ATOM 1822 CG ASP A 227 -15.633 35.969 39.456 1.00 32.06 C +ATOM 1823 OD1 ASP A 227 -15.165 36.547 40.461 1.00 35.77 O +ATOM 1824 OD2 ASP A 227 -16.853 35.930 39.185 1.00 39.28 O +ATOM 1825 N HIS A 228 -12.462 34.478 40.405 1.00 26.93 N +ATOM 1826 CA HIS A 228 -11.682 34.580 41.657 1.00 23.31 C +ATOM 1827 C HIS A 228 -12.424 34.982 42.917 1.00 23.08 C +ATOM 1828 O HIS A 228 -12.314 34.308 43.946 1.00 19.51 O +ATOM 1829 CB HIS A 228 -10.524 35.552 41.476 1.00 25.19 C +ATOM 1830 CG HIS A 228 -9.481 35.081 40.516 1.00 28.32 C +ATOM 1831 ND1 HIS A 228 -8.196 34.768 40.908 1.00 28.99 N +ATOM 1832 CD2 HIS A 228 -9.525 34.891 39.177 1.00 25.69 C +ATOM 1833 CE1 HIS A 228 -7.491 34.404 39.852 1.00 28.76 C +ATOM 1834 NE2 HIS A 228 -8.274 34.470 38.788 1.00 30.24 N +ATOM 1835 N ILE A 229 -13.142 36.107 42.834 1.00 24.62 N +ATOM 1836 CA ILE A 229 -13.917 36.651 43.946 1.00 20.41 C +ATOM 1837 C ILE A 229 -15.110 35.755 44.235 1.00 21.64 C +ATOM 1838 O ILE A 229 -15.388 35.444 45.392 1.00 24.24 O +ATOM 1839 CB ILE A 229 -14.444 38.094 43.649 1.00 20.50 C +ATOM 1840 CG1 ILE A 229 -13.322 39.131 43.772 1.00 20.54 C +ATOM 1841 CG2 ILE A 229 -15.530 38.463 44.636 1.00 19.73 C +ATOM 1842 CD1 ILE A 229 -12.141 38.704 44.588 1.00 18.32 C +ATOM 1843 N ASP A 230 -15.823 35.341 43.193 1.00 17.44 N +ATOM 1844 CA ASP A 230 -16.973 34.493 43.426 1.00 19.18 C +ATOM 1845 C ASP A 230 -16.510 33.231 44.121 1.00 19.96 C +ATOM 1846 O ASP A 230 -17.194 32.726 45.009 1.00 22.09 O +ATOM 1847 CB ASP A 230 -17.691 34.125 42.122 1.00 22.16 C +ATOM 1848 CG ASP A 230 -18.914 33.216 42.358 1.00 26.06 C +ATOM 1849 OD1 ASP A 230 -19.800 33.603 43.161 1.00 24.90 O +ATOM 1850 OD2 ASP A 230 -18.982 32.117 41.743 1.00 23.84 O +ATOM 1851 N GLN A 231 -15.339 32.732 43.741 1.00 18.60 N +ATOM 1852 CA GLN A 231 -14.829 31.516 44.346 1.00 16.81 C +ATOM 1853 C GLN A 231 -14.408 31.759 45.782 1.00 18.99 C +ATOM 1854 O GLN A 231 -14.699 30.956 46.670 1.00 20.13 O +ATOM 1855 CB GLN A 231 -13.656 30.978 43.557 1.00 15.15 C +ATOM 1856 CG GLN A 231 -13.185 29.637 44.050 1.00 17.22 C +ATOM 1857 CD GLN A 231 -12.171 29.036 43.124 1.00 18.86 C +ATOM 1858 OE1 GLN A 231 -12.203 29.292 41.922 1.00 24.43 O +ATOM 1859 NE2 GLN A 231 -11.261 28.231 43.663 1.00 18.23 N +ATOM 1860 N LEU A 232 -13.718 32.863 46.018 1.00 18.65 N +ATOM 1861 CA LEU A 232 -13.290 33.188 47.373 1.00 20.82 C +ATOM 1862 C LEU A 232 -14.518 33.171 48.282 1.00 20.08 C +ATOM 1863 O LEU A 232 -14.490 32.652 49.397 1.00 18.71 O +ATOM 1864 CB LEU A 232 -12.642 34.588 47.396 1.00 20.87 C +ATOM 1865 CG LEU A 232 -12.400 35.187 48.783 1.00 21.71 C +ATOM 1866 CD1 LEU A 232 -11.529 34.210 49.586 1.00 23.62 C +ATOM 1867 CD2 LEU A 232 -11.747 36.544 48.676 1.00 21.65 C +ATOM 1868 N LYS A 233 -15.597 33.751 47.768 1.00 22.80 N +ATOM 1869 CA LYS A 233 -16.871 33.858 48.471 1.00 22.27 C +ATOM 1870 C LYS A 233 -17.394 32.477 48.874 1.00 21.53 C +ATOM 1871 O LYS A 233 -17.763 32.247 50.022 1.00 20.17 O +ATOM 1872 CB LYS A 233 -17.883 34.574 47.555 1.00 21.72 C +ATOM 1873 CG LYS A 233 -18.417 35.882 48.102 1.00 22.03 C +ATOM 1874 CD LYS A 233 -17.791 37.075 47.433 1.00 21.43 C +ATOM 1875 CE LYS A 233 -18.720 37.611 46.384 1.00 25.89 C +ATOM 1876 NZ LYS A 233 -18.787 39.091 46.401 1.00 28.42 N +ATOM 1877 N LEU A 234 -17.421 31.570 47.903 1.00 21.12 N +ATOM 1878 CA LEU A 234 -17.878 30.206 48.122 1.00 18.57 C +ATOM 1879 C LEU A 234 -17.018 29.563 49.209 1.00 18.74 C +ATOM 1880 O LEU A 234 -17.519 28.886 50.108 1.00 20.39 O +ATOM 1881 CB LEU A 234 -17.754 29.386 46.821 1.00 15.77 C +ATOM 1882 CG LEU A 234 -18.658 29.643 45.596 1.00 15.09 C +ATOM 1883 CD1 LEU A 234 -18.406 28.574 44.558 1.00 11.84 C +ATOM 1884 CD2 LEU A 234 -20.125 29.634 45.989 1.00 10.39 C +ATOM 1885 N ILE A 235 -15.713 29.778 49.119 1.00 20.39 N +ATOM 1886 CA ILE A 235 -14.795 29.206 50.087 1.00 18.03 C +ATOM 1887 C ILE A 235 -15.117 29.698 51.492 1.00 18.04 C +ATOM 1888 O ILE A 235 -15.358 28.902 52.384 1.00 19.78 O +ATOM 1889 CB ILE A 235 -13.324 29.541 49.718 1.00 15.50 C +ATOM 1890 CG1 ILE A 235 -13.037 29.054 48.291 1.00 16.25 C +ATOM 1891 CG2 ILE A 235 -12.366 28.914 50.725 1.00 15.89 C +ATOM 1892 CD1 ILE A 235 -11.574 29.043 47.875 1.00 16.15 C +ATOM 1893 N LEU A 236 -15.149 31.008 51.684 1.00 18.24 N +ATOM 1894 CA LEU A 236 -15.424 31.554 53.001 1.00 19.35 C +ATOM 1895 C LEU A 236 -16.800 31.171 53.582 1.00 19.85 C +ATOM 1896 O LEU A 236 -16.987 31.114 54.809 1.00 20.54 O +ATOM 1897 CB LEU A 236 -15.256 33.078 52.961 1.00 17.83 C +ATOM 1898 CG LEU A 236 -13.916 33.570 52.408 1.00 17.30 C +ATOM 1899 CD1 LEU A 236 -13.814 35.092 52.545 1.00 15.15 C +ATOM 1900 CD2 LEU A 236 -12.786 32.893 53.163 1.00 17.38 C +ATOM 1901 N ARG A 237 -17.765 30.905 52.717 1.00 18.09 N +ATOM 1902 CA ARG A 237 -19.076 30.544 53.214 1.00 21.65 C +ATOM 1903 C ARG A 237 -18.961 29.249 53.970 1.00 20.86 C +ATOM 1904 O ARG A 237 -19.559 29.083 55.023 1.00 25.29 O +ATOM 1905 CB ARG A 237 -20.070 30.382 52.076 1.00 27.98 C +ATOM 1906 CG ARG A 237 -21.505 30.456 52.530 1.00 36.98 C +ATOM 1907 CD ARG A 237 -22.458 30.460 51.348 1.00 49.55 C +ATOM 1908 NE ARG A 237 -22.395 29.204 50.595 1.00 58.87 N +ATOM 1909 CZ ARG A 237 -22.370 29.128 49.265 1.00 62.25 C +ATOM 1910 NH1 ARG A 237 -22.407 30.245 48.541 1.00 63.81 N +ATOM 1911 NH2 ARG A 237 -22.319 27.940 48.657 1.00 63.38 N +ATOM 1912 N LEU A 238 -18.160 28.337 53.445 1.00 18.03 N +ATOM 1913 CA LEU A 238 -17.970 27.029 54.065 1.00 17.04 C +ATOM 1914 C LEU A 238 -16.957 26.985 55.214 1.00 18.78 C +ATOM 1915 O LEU A 238 -17.193 26.435 56.287 1.00 20.65 O +ATOM 1916 CB LEU A 238 -17.512 26.036 52.999 1.00 14.21 C +ATOM 1917 CG LEU A 238 -17.012 24.684 53.508 1.00 15.22 C +ATOM 1918 CD1 LEU A 238 -18.206 23.888 54.014 1.00 17.41 C +ATOM 1919 CD2 LEU A 238 -16.291 23.922 52.403 1.00 12.99 C +ATOM 1920 N VAL A 239 -15.815 27.581 54.960 1.00 18.02 N +ATOM 1921 CA VAL A 239 -14.701 27.577 55.874 1.00 16.63 C +ATOM 1922 C VAL A 239 -14.699 28.718 56.921 1.00 19.93 C +ATOM 1923 O VAL A 239 -13.994 28.643 57.943 1.00 20.60 O +ATOM 1924 CB VAL A 239 -13.429 27.544 54.960 1.00 15.71 C +ATOM 1925 CG1 VAL A 239 -12.376 28.507 55.415 1.00 19.64 C +ATOM 1926 CG2 VAL A 239 -12.932 26.131 54.846 1.00 16.38 C +ATOM 1927 N GLY A 240 -15.512 29.749 56.684 1.00 18.34 N +ATOM 1928 CA GLY A 240 -15.552 30.898 57.579 1.00 16.48 C +ATOM 1929 C GLY A 240 -14.578 31.982 57.107 1.00 20.57 C +ATOM 1930 O GLY A 240 -13.611 31.692 56.389 1.00 18.91 O +ATOM 1931 N THR A 241 -14.829 33.233 57.481 1.00 17.45 N +ATOM 1932 CA THR A 241 -13.944 34.319 57.071 1.00 20.23 C +ATOM 1933 C THR A 241 -12.688 34.348 57.949 1.00 20.20 C +ATOM 1934 O THR A 241 -12.704 33.840 59.054 1.00 20.15 O +ATOM 1935 CB THR A 241 -14.661 35.664 57.172 1.00 19.67 C +ATOM 1936 OG1 THR A 241 -15.340 35.732 58.425 1.00 22.13 O +ATOM 1937 CG2 THR A 241 -15.681 35.819 56.046 1.00 15.22 C +ATOM 1938 N PRO A 242 -11.572 34.926 57.457 1.00 22.99 N +ATOM 1939 CA PRO A 242 -10.360 34.959 58.292 1.00 23.32 C +ATOM 1940 C PRO A 242 -10.549 35.697 59.613 1.00 26.94 C +ATOM 1941 O PRO A 242 -11.431 36.539 59.758 1.00 30.15 O +ATOM 1942 CB PRO A 242 -9.319 35.654 57.411 1.00 20.35 C +ATOM 1943 CG PRO A 242 -9.845 35.551 56.018 1.00 22.03 C +ATOM 1944 CD PRO A 242 -11.345 35.545 56.138 1.00 23.86 C +ATOM 1945 N GLY A 243 -9.714 35.361 60.582 1.00 29.21 N +ATOM 1946 CA GLY A 243 -9.787 36.013 61.866 1.00 28.82 C +ATOM 1947 C GLY A 243 -8.550 36.879 61.967 1.00 30.36 C +ATOM 1948 O GLY A 243 -7.766 36.940 61.025 1.00 29.26 O +ATOM 1949 N ALA A 244 -8.368 37.534 63.107 1.00 31.50 N +ATOM 1950 CA ALA A 244 -7.220 38.403 63.326 1.00 30.66 C +ATOM 1951 C ALA A 244 -5.865 37.723 63.065 1.00 31.80 C +ATOM 1952 O ALA A 244 -4.972 38.312 62.449 1.00 30.55 O +ATOM 1953 CB ALA A 244 -7.267 38.960 64.749 1.00 30.68 C +ATOM 1954 N GLU A 245 -5.718 36.481 63.521 1.00 33.09 N +ATOM 1955 CA GLU A 245 -4.470 35.730 63.347 1.00 34.26 C +ATOM 1956 C GLU A 245 -4.063 35.553 61.881 1.00 34.03 C +ATOM 1957 O GLU A 245 -2.942 35.893 61.491 1.00 34.77 O +ATOM 1958 CB GLU A 245 -4.590 34.351 64.011 1.00 36.66 C +ATOM 1959 CG GLU A 245 -3.270 33.618 64.200 1.00 41.03 C +ATOM 1960 CD GLU A 245 -3.457 32.255 64.850 1.00 46.06 C +ATOM 1961 OE1 GLU A 245 -4.481 32.060 65.547 1.00 45.87 O +ATOM 1962 OE2 GLU A 245 -2.585 31.375 64.667 1.00 47.30 O +ATOM 1963 N LEU A 246 -4.970 35.014 61.075 1.00 31.66 N +ATOM 1964 CA LEU A 246 -4.674 34.802 59.670 1.00 29.34 C +ATOM 1965 C LEU A 246 -4.514 36.133 58.946 1.00 28.29 C +ATOM 1966 O LEU A 246 -3.616 36.282 58.116 1.00 27.78 O +ATOM 1967 CB LEU A 246 -5.784 33.971 59.013 1.00 27.43 C +ATOM 1968 CG LEU A 246 -5.482 33.230 57.696 1.00 28.27 C +ATOM 1969 CD1 LEU A 246 -6.232 33.904 56.569 1.00 29.13 C +ATOM 1970 CD2 LEU A 246 -3.985 33.203 57.394 1.00 26.30 C +ATOM 1971 N LEU A 247 -5.374 37.099 59.264 1.00 27.98 N +ATOM 1972 CA LEU A 247 -5.314 38.414 58.622 1.00 32.07 C +ATOM 1973 C LEU A 247 -3.924 39.013 58.717 1.00 32.69 C +ATOM 1974 O LEU A 247 -3.438 39.615 57.762 1.00 33.25 O +ATOM 1975 CB LEU A 247 -6.325 39.370 59.250 1.00 31.15 C +ATOM 1976 CG LEU A 247 -7.667 39.469 58.518 1.00 34.83 C +ATOM 1977 CD1 LEU A 247 -8.664 40.116 59.438 1.00 36.67 C +ATOM 1978 CD2 LEU A 247 -7.544 40.272 57.220 1.00 36.48 C +ATOM 1979 N LYS A 248 -3.296 38.847 59.879 1.00 37.36 N +ATOM 1980 CA LYS A 248 -1.939 39.334 60.129 1.00 38.56 C +ATOM 1981 C LYS A 248 -0.963 38.799 59.079 1.00 39.54 C +ATOM 1982 O LYS A 248 -0.074 39.524 58.628 1.00 38.89 O +ATOM 1983 CB LYS A 248 -1.455 38.870 61.506 1.00 39.09 C +ATOM 1984 CG LYS A 248 -1.896 39.728 62.662 1.00 41.61 C +ATOM 1985 CD LYS A 248 -1.528 39.069 63.978 1.00 44.22 C +ATOM 1986 CE LYS A 248 -0.166 39.531 64.485 1.00 49.35 C +ATOM 1987 NZ LYS A 248 0.570 40.458 63.561 1.00 49.44 N +ATOM 1988 N LYS A 249 -1.141 37.527 58.704 1.00 39.38 N +ATOM 1989 CA LYS A 249 -0.279 36.844 57.736 1.00 37.33 C +ATOM 1990 C LYS A 249 -0.493 37.185 56.271 1.00 39.08 C +ATOM 1991 O LYS A 249 0.332 36.811 55.433 1.00 38.33 O +ATOM 1992 CB LYS A 249 -0.399 35.331 57.900 1.00 37.15 C +ATOM 1993 CG LYS A 249 -0.230 34.845 59.326 1.00 36.60 C +ATOM 1994 CD LYS A 249 -0.311 33.332 59.410 1.00 33.02 C +ATOM 1995 CE LYS A 249 -0.818 32.910 60.773 1.00 36.36 C +ATOM 1996 NZ LYS A 249 -0.876 31.423 60.940 1.00 37.13 N +ATOM 1997 N ILE A 250 -1.606 37.841 55.947 1.00 40.43 N +ATOM 1998 CA ILE A 250 -1.866 38.242 54.565 1.00 43.44 C +ATOM 1999 C ILE A 250 -1.061 39.524 54.400 1.00 44.96 C +ATOM 2000 O ILE A 250 -1.300 40.506 55.097 1.00 46.80 O +ATOM 2001 CB ILE A 250 -3.367 38.518 54.312 1.00 43.04 C +ATOM 2002 CG1 ILE A 250 -4.165 37.222 54.488 1.00 40.80 C +ATOM 2003 CG2 ILE A 250 -3.570 39.059 52.892 1.00 44.36 C +ATOM 2004 CD1 ILE A 250 -5.637 37.351 54.155 1.00 41.09 C +ATOM 2005 N SER A 251 -0.107 39.511 53.479 1.00 45.94 N +ATOM 2006 CA SER A 251 0.773 40.648 53.292 1.00 46.61 C +ATOM 2007 C SER A 251 0.264 41.874 52.550 1.00 46.99 C +ATOM 2008 O SER A 251 0.568 42.995 52.954 1.00 49.94 O +ATOM 2009 CB SER A 251 2.078 40.165 52.663 1.00 48.27 C +ATOM 2010 OG SER A 251 2.538 41.064 51.676 1.00 52.67 O +ATOM 2011 N SER A 252 -0.501 41.692 51.479 1.00 46.36 N +ATOM 2012 CA SER A 252 -1.003 42.847 50.725 1.00 45.87 C +ATOM 2013 C SER A 252 -2.038 43.636 51.515 1.00 45.06 C +ATOM 2014 O SER A 252 -3.052 43.088 51.921 1.00 48.29 O +ATOM 2015 CB SER A 252 -1.618 42.390 49.401 1.00 45.67 C +ATOM 2016 OG SER A 252 -2.723 43.197 49.044 1.00 45.28 O +ATOM 2017 N GLU A 253 -1.800 44.922 51.729 1.00 45.81 N +ATOM 2018 CA GLU A 253 -2.755 45.717 52.487 1.00 46.53 C +ATOM 2019 C GLU A 253 -4.146 45.842 51.846 1.00 46.90 C +ATOM 2020 O GLU A 253 -5.139 45.972 52.565 1.00 46.30 O +ATOM 2021 CB GLU A 253 -2.194 47.104 52.769 1.00 48.70 C +ATOM 2022 CG GLU A 253 -3.044 47.894 53.751 1.00 54.31 C +ATOM 2023 CD GLU A 253 -2.724 49.378 53.736 1.00 59.50 C +ATOM 2024 OE1 GLU A 253 -1.546 49.726 53.482 1.00 60.96 O +ATOM 2025 OE2 GLU A 253 -3.648 50.193 53.976 1.00 60.94 O +ATOM 2026 N SER A 254 -4.234 45.816 50.513 1.00 46.26 N +ATOM 2027 CA SER A 254 -5.550 45.901 49.853 1.00 47.41 C +ATOM 2028 C SER A 254 -6.262 44.564 50.049 1.00 44.18 C +ATOM 2029 O SER A 254 -7.486 44.519 50.207 1.00 42.73 O +ATOM 2030 CB SER A 254 -5.433 46.193 48.342 1.00 49.67 C +ATOM 2031 OG SER A 254 -4.092 46.140 47.894 1.00 54.96 O +ATOM 2032 N ALA A 255 -5.491 43.477 50.028 1.00 39.90 N +ATOM 2033 CA ALA A 255 -6.056 42.154 50.241 1.00 37.78 C +ATOM 2034 C ALA A 255 -6.619 42.107 51.667 1.00 36.13 C +ATOM 2035 O ALA A 255 -7.737 41.650 51.886 1.00 35.93 O +ATOM 2036 CB ALA A 255 -4.989 41.083 50.049 1.00 35.53 C +ATOM 2037 N ARG A 256 -5.859 42.597 52.639 1.00 33.67 N +ATOM 2038 CA ARG A 256 -6.352 42.587 54.003 1.00 34.68 C +ATOM 2039 C ARG A 256 -7.584 43.486 54.083 1.00 35.73 C +ATOM 2040 O ARG A 256 -8.581 43.123 54.703 1.00 38.23 O +ATOM 2041 CB ARG A 256 -5.269 43.065 54.966 1.00 35.85 C +ATOM 2042 CG ARG A 256 -4.759 41.976 55.891 1.00 38.03 C +ATOM 2043 CD ARG A 256 -3.300 42.177 56.231 1.00 40.97 C +ATOM 2044 NE ARG A 256 -3.001 43.574 56.525 1.00 45.79 N +ATOM 2045 CZ ARG A 256 -1.986 44.247 55.992 1.00 47.24 C +ATOM 2046 NH1 ARG A 256 -1.179 43.651 55.124 1.00 47.68 N +ATOM 2047 NH2 ARG A 256 -1.783 45.519 56.314 1.00 47.17 N +ATOM 2048 N ASN A 257 -7.509 44.654 53.440 1.00 38.16 N +ATOM 2049 CA ASN A 257 -8.613 45.625 53.400 1.00 36.10 C +ATOM 2050 C ASN A 257 -9.853 45.020 52.758 1.00 33.92 C +ATOM 2051 O ASN A 257 -10.966 45.238 53.229 1.00 33.77 O +ATOM 2052 CB ASN A 257 -8.224 46.852 52.580 1.00 40.28 C +ATOM 2053 CG ASN A 257 -7.752 48.002 53.433 1.00 43.48 C +ATOM 2054 OD1 ASN A 257 -6.784 48.685 53.090 1.00 47.74 O +ATOM 2055 ND2 ASN A 257 -8.428 48.229 54.551 1.00 46.19 N +ATOM 2056 N TYR A 258 -9.656 44.283 51.664 1.00 31.02 N +ATOM 2057 CA TYR A 258 -10.766 43.645 50.979 1.00 28.55 C +ATOM 2058 C TYR A 258 -11.423 42.613 51.886 1.00 29.72 C +ATOM 2059 O TYR A 258 -12.639 42.638 52.088 1.00 29.79 O +ATOM 2060 CB TYR A 258 -10.325 42.944 49.697 1.00 24.02 C +ATOM 2061 CG TYR A 258 -11.495 42.240 49.063 1.00 23.65 C +ATOM 2062 CD1 TYR A 258 -12.683 42.931 48.808 1.00 23.79 C +ATOM 2063 CD2 TYR A 258 -11.473 40.869 48.833 1.00 22.31 C +ATOM 2064 CE1 TYR A 258 -13.823 42.273 48.351 1.00 24.42 C +ATOM 2065 CE2 TYR A 258 -12.611 40.196 48.373 1.00 22.51 C +ATOM 2066 CZ TYR A 258 -13.777 40.906 48.144 1.00 24.74 C +ATOM 2067 OH TYR A 258 -14.910 40.247 47.750 1.00 27.18 O +ATOM 2068 N ILE A 259 -10.620 41.700 52.425 1.00 29.49 N +ATOM 2069 CA ILE A 259 -11.137 40.672 53.316 1.00 29.87 C +ATOM 2070 C ILE A 259 -12.076 41.297 54.348 1.00 31.21 C +ATOM 2071 O ILE A 259 -13.189 40.816 54.575 1.00 30.59 O +ATOM 2072 CB ILE A 259 -10.001 39.984 54.099 1.00 30.99 C +ATOM 2073 CG1 ILE A 259 -9.164 39.117 53.160 1.00 29.01 C +ATOM 2074 CG2 ILE A 259 -10.594 39.150 55.249 1.00 29.21 C +ATOM 2075 CD1 ILE A 259 -9.989 38.134 52.377 1.00 34.59 C +ATOM 2076 N GLN A 260 -11.616 42.382 54.962 1.00 31.48 N +ATOM 2077 CA GLN A 260 -12.379 43.055 55.998 1.00 31.78 C +ATOM 2078 C GLN A 260 -13.649 43.741 55.538 1.00 32.79 C +ATOM 2079 O GLN A 260 -14.467 44.148 56.362 1.00 34.33 O +ATOM 2080 CB GLN A 260 -11.490 44.047 56.730 1.00 31.85 C +ATOM 2081 CG GLN A 260 -10.306 43.387 57.371 1.00 36.41 C +ATOM 2082 CD GLN A 260 -9.835 44.119 58.596 1.00 41.44 C +ATOM 2083 OE1 GLN A 260 -8.932 44.950 58.519 1.00 41.89 O +ATOM 2084 NE2 GLN A 260 -10.444 43.819 59.742 1.00 42.33 N +ATOM 2085 N SER A 261 -13.824 43.882 54.234 1.00 31.31 N +ATOM 2086 CA SER A 261 -15.037 44.505 53.741 1.00 31.72 C +ATOM 2087 C SER A 261 -16.125 43.437 53.694 1.00 31.34 C +ATOM 2088 O SER A 261 -17.296 43.737 53.483 1.00 34.07 O +ATOM 2089 CB SER A 261 -14.813 45.097 52.346 1.00 31.59 C +ATOM 2090 OG SER A 261 -14.550 44.084 51.391 1.00 34.65 O +ATOM 2091 N LEU A 262 -15.729 42.188 53.901 1.00 29.30 N +ATOM 2092 CA LEU A 262 -16.663 41.074 53.884 1.00 27.75 C +ATOM 2093 C LEU A 262 -17.350 40.847 55.241 1.00 27.23 C +ATOM 2094 O LEU A 262 -16.709 40.909 56.297 1.00 25.33 O +ATOM 2095 CB LEU A 262 -15.918 39.796 53.493 1.00 27.87 C +ATOM 2096 CG LEU A 262 -15.803 39.408 52.020 1.00 29.77 C +ATOM 2097 CD1 LEU A 262 -15.905 40.624 51.129 1.00 31.55 C +ATOM 2098 CD2 LEU A 262 -14.484 38.703 51.809 1.00 31.01 C +ATOM 2099 N THR A 263 -18.641 40.594 55.194 1.00 22.02 N +ATOM 2100 CA THR A 263 -19.357 40.288 56.447 1.00 22.43 C +ATOM 2101 C THR A 263 -18.770 38.976 56.957 1.00 24.12 C +ATOM 2102 O THR A 263 -18.585 38.023 56.191 1.00 21.90 O +ATOM 2103 CB THR A 263 -20.892 40.238 56.248 1.00 22.10 C +ATOM 2104 OG1 THR A 263 -21.328 41.446 55.613 1.00 20.00 O +ATOM 2105 CG2 THR A 263 -21.595 40.093 57.589 1.00 20.00 C +ATOM 2106 N GLN A 264 -18.440 38.930 58.236 1.00 22.09 N +ATOM 2107 CA GLN A 264 -17.823 37.744 58.792 1.00 25.27 C +ATOM 2108 C GLN A 264 -18.773 36.561 58.829 1.00 26.55 C +ATOM 2109 O GLN A 264 -19.977 36.735 58.941 1.00 28.60 O +ATOM 2110 CB GLN A 264 -17.271 38.068 60.174 1.00 25.69 C +ATOM 2111 CG GLN A 264 -16.307 39.236 60.106 1.00 28.52 C +ATOM 2112 CD GLN A 264 -15.606 39.512 61.409 1.00 34.33 C +ATOM 2113 OE1 GLN A 264 -14.936 38.640 61.978 1.00 38.64 O +ATOM 2114 NE2 GLN A 264 -15.746 40.741 61.894 1.00 37.77 N +ATOM 2115 N MET A 265 -18.224 35.355 58.701 1.00 27.13 N +ATOM 2116 CA MET A 265 -19.022 34.133 58.704 1.00 26.00 C +ATOM 2117 C MET A 265 -18.298 33.025 59.450 1.00 25.70 C +ATOM 2118 O MET A 265 -17.078 32.894 59.350 1.00 23.39 O +ATOM 2119 CB MET A 265 -19.293 33.659 57.276 1.00 26.81 C +ATOM 2120 CG MET A 265 -19.871 34.702 56.383 1.00 26.32 C +ATOM 2121 SD MET A 265 -20.073 34.053 54.734 1.00 30.88 S +ATOM 2122 CE MET A 265 -18.484 34.405 54.059 1.00 25.82 C +ATOM 2123 N PRO A 266 -19.053 32.192 60.186 1.00 26.56 N +ATOM 2124 CA PRO A 266 -18.416 31.104 60.927 1.00 24.28 C +ATOM 2125 C PRO A 266 -18.221 29.899 60.010 1.00 24.96 C +ATOM 2126 O PRO A 266 -18.809 29.812 58.923 1.00 24.40 O +ATOM 2127 CB PRO A 266 -19.399 30.818 62.054 1.00 23.85 C +ATOM 2128 CG PRO A 266 -20.752 31.194 61.471 1.00 23.59 C +ATOM 2129 CD PRO A 266 -20.523 32.185 60.347 1.00 23.41 C +ATOM 2130 N LYS A 267 -17.373 28.979 60.433 1.00 25.85 N +ATOM 2131 CA LYS A 267 -17.154 27.790 59.640 1.00 27.02 C +ATOM 2132 C LYS A 267 -18.499 27.065 59.653 1.00 24.37 C +ATOM 2133 O LYS A 267 -19.219 27.143 60.645 1.00 22.50 O +ATOM 2134 CB LYS A 267 -16.068 26.940 60.305 1.00 30.03 C +ATOM 2135 CG LYS A 267 -15.684 25.689 59.541 1.00 35.64 C +ATOM 2136 CD LYS A 267 -14.937 24.744 60.449 1.00 39.10 C +ATOM 2137 CE LYS A 267 -15.625 23.382 60.571 1.00 44.33 C +ATOM 2138 NZ LYS A 267 -14.815 22.539 61.507 1.00 49.36 N +ATOM 2139 N MET A 268 -18.852 26.395 58.560 1.00 21.26 N +ATOM 2140 CA MET A 268 -20.105 25.654 58.497 1.00 20.22 C +ATOM 2141 C MET A 268 -19.892 24.269 59.108 1.00 21.86 C +ATOM 2142 O MET A 268 -18.747 23.848 59.356 1.00 20.50 O +ATOM 2143 CB MET A 268 -20.552 25.484 57.048 1.00 20.02 C +ATOM 2144 CG MET A 268 -21.039 26.756 56.406 1.00 27.13 C +ATOM 2145 SD MET A 268 -22.023 26.469 54.924 1.00 32.83 S +ATOM 2146 CE MET A 268 -22.970 24.976 55.444 1.00 35.85 C +ATOM 2147 N ASN A 269 -20.991 23.557 59.346 1.00 23.09 N +ATOM 2148 CA ASN A 269 -20.917 22.202 59.894 1.00 22.38 C +ATOM 2149 C ASN A 269 -20.709 21.302 58.678 1.00 20.90 C +ATOM 2150 O ASN A 269 -21.578 21.243 57.812 1.00 25.61 O +ATOM 2151 CB ASN A 269 -22.230 21.837 60.588 1.00 25.51 C +ATOM 2152 CG ASN A 269 -22.143 20.523 61.346 1.00 26.10 C +ATOM 2153 OD1 ASN A 269 -21.492 19.581 60.892 1.00 30.16 O +ATOM 2154 ND2 ASN A 269 -22.798 20.454 62.504 1.00 19.34 N +ATOM 2155 N PHE A 270 -19.570 20.619 58.599 1.00 19.06 N +ATOM 2156 CA PHE A 270 -19.287 19.780 57.439 1.00 21.39 C +ATOM 2157 C PHE A 270 -20.196 18.557 57.297 1.00 23.77 C +ATOM 2158 O PHE A 270 -20.474 18.104 56.180 1.00 23.98 O +ATOM 2159 CB PHE A 270 -17.818 19.358 57.434 1.00 19.53 C +ATOM 2160 CG PHE A 270 -16.885 20.410 56.881 1.00 22.53 C +ATOM 2161 CD1 PHE A 270 -17.048 21.750 57.215 1.00 23.10 C +ATOM 2162 CD2 PHE A 270 -15.810 20.054 56.070 1.00 22.82 C +ATOM 2163 CE1 PHE A 270 -16.148 22.713 56.763 1.00 23.79 C +ATOM 2164 CE2 PHE A 270 -14.899 21.011 55.610 1.00 20.74 C +ATOM 2165 CZ PHE A 270 -15.068 22.342 55.957 1.00 22.11 C +ATOM 2166 N ALA A 271 -20.675 18.033 58.417 1.00 22.48 N +ATOM 2167 CA ALA A 271 -21.556 16.882 58.366 1.00 21.26 C +ATOM 2168 C ALA A 271 -22.878 17.293 57.734 1.00 21.46 C +ATOM 2169 O ALA A 271 -23.650 16.448 57.307 1.00 25.68 O +ATOM 2170 CB ALA A 271 -21.782 16.340 59.767 1.00 19.32 C +ATOM 2171 N ASN A 272 -23.142 18.594 57.683 1.00 21.47 N +ATOM 2172 CA ASN A 272 -24.378 19.088 57.076 1.00 22.15 C +ATOM 2173 C ASN A 272 -24.161 19.523 55.638 1.00 23.62 C +ATOM 2174 O ASN A 272 -25.062 20.047 54.990 1.00 22.61 O +ATOM 2175 CB ASN A 272 -24.930 20.260 57.862 1.00 19.69 C +ATOM 2176 CG ASN A 272 -25.610 19.829 59.119 1.00 21.12 C +ATOM 2177 OD1 ASN A 272 -25.848 20.636 59.998 1.00 25.67 O +ATOM 2178 ND2 ASN A 272 -25.927 18.549 59.222 1.00 24.64 N +ATOM 2179 N VAL A 273 -22.943 19.310 55.161 1.00 24.60 N +ATOM 2180 CA VAL A 273 -22.558 19.636 53.795 1.00 23.23 C +ATOM 2181 C VAL A 273 -22.379 18.283 53.111 1.00 23.54 C +ATOM 2182 O VAL A 273 -23.028 17.968 52.106 1.00 24.77 O +ATOM 2183 CB VAL A 273 -21.210 20.412 53.766 1.00 22.88 C +ATOM 2184 CG1 VAL A 273 -20.817 20.718 52.334 1.00 18.80 C +ATOM 2185 CG2 VAL A 273 -21.314 21.689 54.593 1.00 18.82 C +ATOM 2186 N PHE A 274 -21.501 17.474 53.688 1.00 20.39 N +ATOM 2187 CA PHE A 274 -21.226 16.157 53.159 1.00 23.81 C +ATOM 2188 C PHE A 274 -22.185 15.138 53.785 1.00 26.70 C +ATOM 2189 O PHE A 274 -21.779 14.248 54.551 1.00 28.89 O +ATOM 2190 CB PHE A 274 -19.758 15.834 53.431 1.00 20.91 C +ATOM 2191 CG PHE A 274 -18.819 16.847 52.847 1.00 21.09 C +ATOM 2192 CD1 PHE A 274 -18.735 17.002 51.455 1.00 19.80 C +ATOM 2193 CD2 PHE A 274 -18.083 17.710 53.675 1.00 18.69 C +ATOM 2194 CE1 PHE A 274 -17.943 18.003 50.889 1.00 17.92 C +ATOM 2195 CE2 PHE A 274 -17.280 18.725 53.121 1.00 17.27 C +ATOM 2196 CZ PHE A 274 -17.217 18.869 51.715 1.00 19.21 C +ATOM 2197 N ILE A 275 -23.464 15.295 53.436 1.00 29.00 N +ATOM 2198 CA ILE A 275 -24.558 14.462 53.941 1.00 30.77 C +ATOM 2199 C ILE A 275 -24.432 12.951 53.716 1.00 31.86 C +ATOM 2200 O ILE A 275 -24.408 12.467 52.566 1.00 32.07 O +ATOM 2201 CB ILE A 275 -25.930 14.912 53.348 1.00 32.97 C +ATOM 2202 CG1 ILE A 275 -26.260 16.348 53.774 1.00 36.90 C +ATOM 2203 CG2 ILE A 275 -27.038 13.996 53.855 1.00 33.01 C +ATOM 2204 CD1 ILE A 275 -26.355 16.531 55.294 1.00 42.97 C +ATOM 2205 N GLY A 276 -24.378 12.215 54.828 1.00 28.16 N +ATOM 2206 CA GLY A 276 -24.282 10.777 54.760 1.00 26.30 C +ATOM 2207 C GLY A 276 -22.884 10.245 54.504 1.00 29.28 C +ATOM 2208 O GLY A 276 -22.718 9.055 54.243 1.00 35.28 O +ATOM 2209 N ALA A 277 -21.866 11.095 54.581 1.00 27.18 N +ATOM 2210 CA ALA A 277 -20.511 10.628 54.342 1.00 22.50 C +ATOM 2211 C ALA A 277 -19.978 10.016 55.624 1.00 23.44 C +ATOM 2212 O ALA A 277 -20.433 10.345 56.727 1.00 25.91 O +ATOM 2213 CB ALA A 277 -19.616 11.789 53.888 1.00 18.40 C +ATOM 2214 N ASN A 278 -19.033 9.101 55.462 1.00 22.91 N +ATOM 2215 CA ASN A 278 -18.377 8.438 56.570 1.00 23.26 C +ATOM 2216 C ASN A 278 -17.882 9.570 57.474 1.00 25.47 C +ATOM 2217 O ASN A 278 -17.181 10.476 57.032 1.00 26.52 O +ATOM 2218 CB ASN A 278 -17.210 7.607 55.997 1.00 26.45 C +ATOM 2219 CG ASN A 278 -16.316 6.985 57.063 1.00 25.51 C +ATOM 2220 OD1 ASN A 278 -16.237 7.460 58.196 1.00 28.87 O +ATOM 2221 ND2 ASN A 278 -15.625 5.919 56.689 1.00 19.55 N +ATOM 2222 N PRO A 279 -18.302 9.569 58.740 1.00 26.58 N +ATOM 2223 CA PRO A 279 -17.864 10.617 59.661 1.00 25.41 C +ATOM 2224 C PRO A 279 -16.359 10.827 59.596 1.00 25.95 C +ATOM 2225 O PRO A 279 -15.876 11.948 59.760 1.00 28.70 O +ATOM 2226 CB PRO A 279 -18.306 10.098 61.026 1.00 25.21 C +ATOM 2227 CG PRO A 279 -19.502 9.266 60.730 1.00 26.14 C +ATOM 2228 CD PRO A 279 -19.239 8.633 59.377 1.00 28.28 C +ATOM 2229 N LEU A 280 -15.626 9.744 59.354 1.00 23.76 N +ATOM 2230 CA LEU A 280 -14.171 9.801 59.267 1.00 22.84 C +ATOM 2231 C LEU A 280 -13.735 10.649 58.062 1.00 21.58 C +ATOM 2232 O LEU A 280 -12.740 11.389 58.124 1.00 19.31 O +ATOM 2233 CB LEU A 280 -13.601 8.376 59.176 1.00 22.39 C +ATOM 2234 CG LEU A 280 -12.722 7.825 60.317 1.00 24.78 C +ATOM 2235 CD1 LEU A 280 -12.792 8.693 61.551 1.00 20.45 C +ATOM 2236 CD2 LEU A 280 -13.170 6.432 60.653 1.00 21.33 C +ATOM 2237 N ALA A 281 -14.486 10.530 56.971 1.00 18.26 N +ATOM 2238 CA ALA A 281 -14.211 11.293 55.758 1.00 20.52 C +ATOM 2239 C ALA A 281 -14.466 12.767 56.059 1.00 21.65 C +ATOM 2240 O ALA A 281 -13.684 13.644 55.678 1.00 22.39 O +ATOM 2241 CB ALA A 281 -15.117 10.825 54.621 1.00 15.24 C +ATOM 2242 N VAL A 282 -15.565 13.030 56.757 1.00 21.32 N +ATOM 2243 CA VAL A 282 -15.918 14.389 57.124 1.00 22.38 C +ATOM 2244 C VAL A 282 -14.806 15.000 57.990 1.00 23.62 C +ATOM 2245 O VAL A 282 -14.352 16.116 57.742 1.00 25.47 O +ATOM 2246 CB VAL A 282 -17.265 14.421 57.903 1.00 22.11 C +ATOM 2247 CG1 VAL A 282 -17.574 15.835 58.335 1.00 18.85 C +ATOM 2248 CG2 VAL A 282 -18.396 13.876 57.033 1.00 20.07 C +ATOM 2249 N ASP A 283 -14.354 14.267 58.999 1.00 22.21 N +ATOM 2250 CA ASP A 283 -13.309 14.783 59.868 1.00 18.94 C +ATOM 2251 C ASP A 283 -12.029 15.118 59.101 1.00 18.49 C +ATOM 2252 O ASP A 283 -11.450 16.169 59.309 1.00 18.71 O +ATOM 2253 CB ASP A 283 -13.014 13.779 60.986 1.00 17.53 C +ATOM 2254 CG ASP A 283 -12.027 14.311 62.010 1.00 22.01 C +ATOM 2255 OD1 ASP A 283 -12.464 15.029 62.931 1.00 25.01 O +ATOM 2256 OD2 ASP A 283 -10.814 14.015 61.902 1.00 20.95 O +ATOM 2257 N LEU A 284 -11.589 14.237 58.208 1.00 21.21 N +ATOM 2258 CA LEU A 284 -10.370 14.504 57.451 1.00 21.14 C +ATOM 2259 C LEU A 284 -10.542 15.763 56.619 1.00 22.43 C +ATOM 2260 O LEU A 284 -9.651 16.607 56.579 1.00 28.65 O +ATOM 2261 CB LEU A 284 -10.007 13.332 56.527 1.00 19.87 C +ATOM 2262 CG LEU A 284 -8.734 13.569 55.699 1.00 20.81 C +ATOM 2263 CD1 LEU A 284 -7.583 13.925 56.631 1.00 19.43 C +ATOM 2264 CD2 LEU A 284 -8.388 12.336 54.890 1.00 20.48 C +ATOM 2265 N LEU A 285 -11.686 15.893 55.954 1.00 22.60 N +ATOM 2266 CA LEU A 285 -11.950 17.070 55.127 1.00 20.25 C +ATOM 2267 C LEU A 285 -11.826 18.354 55.944 1.00 19.24 C +ATOM 2268 O LEU A 285 -11.313 19.356 55.454 1.00 19.12 O +ATOM 2269 CB LEU A 285 -13.351 16.996 54.508 1.00 18.64 C +ATOM 2270 CG LEU A 285 -13.477 16.167 53.228 1.00 21.87 C +ATOM 2271 CD1 LEU A 285 -14.887 16.266 52.702 1.00 21.22 C +ATOM 2272 CD2 LEU A 285 -12.489 16.646 52.188 1.00 19.45 C +ATOM 2273 N GLU A 286 -12.289 18.328 57.191 1.00 17.94 N +ATOM 2274 CA GLU A 286 -12.206 19.523 58.015 1.00 20.22 C +ATOM 2275 C GLU A 286 -10.774 19.850 58.373 1.00 21.02 C +ATOM 2276 O GLU A 286 -10.447 21.001 58.624 1.00 22.50 O +ATOM 2277 CB GLU A 286 -13.005 19.361 59.293 1.00 23.68 C +ATOM 2278 CG GLU A 286 -14.392 18.823 59.078 1.00 33.87 C +ATOM 2279 CD GLU A 286 -15.197 18.813 60.358 1.00 36.90 C +ATOM 2280 OE1 GLU A 286 -15.758 19.878 60.691 1.00 42.49 O +ATOM 2281 OE2 GLU A 286 -15.263 17.755 61.029 1.00 35.35 O +ATOM 2282 N LYS A 287 -9.915 18.842 58.405 1.00 21.50 N +ATOM 2283 CA LYS A 287 -8.522 19.067 58.739 1.00 22.45 C +ATOM 2284 C LYS A 287 -7.722 19.469 57.508 1.00 23.34 C +ATOM 2285 O LYS A 287 -6.628 20.014 57.629 1.00 24.99 O +ATOM 2286 CB LYS A 287 -7.939 17.815 59.392 1.00 23.69 C +ATOM 2287 CG LYS A 287 -8.760 17.358 60.592 1.00 30.87 C +ATOM 2288 CD LYS A 287 -8.060 16.298 61.426 1.00 34.99 C +ATOM 2289 CE LYS A 287 -8.361 16.511 62.910 1.00 39.21 C +ATOM 2290 NZ LYS A 287 -9.054 15.357 63.547 1.00 42.68 N +ATOM 2291 N MET A 288 -8.276 19.201 56.326 1.00 24.35 N +ATOM 2292 CA MET A 288 -7.636 19.558 55.056 1.00 23.92 C +ATOM 2293 C MET A 288 -8.072 20.965 54.597 1.00 22.82 C +ATOM 2294 O MET A 288 -7.245 21.780 54.219 1.00 24.60 O +ATOM 2295 CB MET A 288 -7.984 18.518 53.974 1.00 21.71 C +ATOM 2296 CG MET A 288 -6.924 17.442 53.797 1.00 22.87 C +ATOM 2297 SD MET A 288 -7.418 15.933 52.922 1.00 26.86 S +ATOM 2298 CE MET A 288 -9.217 16.007 53.036 1.00 28.08 C +ATOM 2299 N LEU A 289 -9.370 21.253 54.658 1.00 23.06 N +ATOM 2300 CA LEU A 289 -9.898 22.557 54.238 1.00 24.00 C +ATOM 2301 C LEU A 289 -9.908 23.601 55.363 1.00 22.37 C +ATOM 2302 O LEU A 289 -10.961 24.087 55.763 1.00 22.88 O +ATOM 2303 CB LEU A 289 -11.330 22.396 53.691 1.00 24.62 C +ATOM 2304 CG LEU A 289 -11.637 21.884 52.272 1.00 24.67 C +ATOM 2305 CD1 LEU A 289 -10.374 21.553 51.518 1.00 22.55 C +ATOM 2306 CD2 LEU A 289 -12.549 20.672 52.379 1.00 18.94 C +ATOM 2307 N VAL A 290 -8.731 23.937 55.871 1.00 22.65 N +ATOM 2308 CA VAL A 290 -8.601 24.927 56.934 1.00 21.46 C +ATOM 2309 C VAL A 290 -8.108 26.203 56.240 1.00 24.33 C +ATOM 2310 O VAL A 290 -7.132 26.156 55.488 1.00 23.77 O +ATOM 2311 CB VAL A 290 -7.561 24.473 57.976 1.00 18.20 C +ATOM 2312 CG1 VAL A 290 -7.257 25.597 58.932 1.00 11.22 C +ATOM 2313 CG2 VAL A 290 -8.066 23.250 58.712 1.00 16.37 C +ATOM 2314 N LEU A 291 -8.769 27.337 56.479 1.00 24.65 N +ATOM 2315 CA LEU A 291 -8.364 28.576 55.814 1.00 24.18 C +ATOM 2316 C LEU A 291 -6.880 28.919 56.000 1.00 25.62 C +ATOM 2317 O LEU A 291 -6.166 29.122 55.009 1.00 25.94 O +ATOM 2318 CB LEU A 291 -9.259 29.740 56.255 1.00 22.52 C +ATOM 2319 CG LEU A 291 -9.227 30.975 55.345 1.00 22.40 C +ATOM 2320 CD1 LEU A 291 -9.402 30.583 53.877 1.00 18.41 C +ATOM 2321 CD2 LEU A 291 -10.315 31.939 55.785 1.00 22.11 C +ATOM 2322 N ASP A 292 -6.417 28.966 57.254 1.00 25.32 N +ATOM 2323 CA ASP A 292 -5.019 29.261 57.564 1.00 22.91 C +ATOM 2324 C ASP A 292 -4.146 28.061 57.152 1.00 24.06 C +ATOM 2325 O ASP A 292 -4.225 26.987 57.752 1.00 23.84 O +ATOM 2326 CB ASP A 292 -4.876 29.530 59.063 1.00 21.83 C +ATOM 2327 CG ASP A 292 -3.489 30.049 59.447 1.00 25.43 C +ATOM 2328 OD1 ASP A 292 -2.560 29.963 58.606 1.00 23.29 O +ATOM 2329 OD2 ASP A 292 -3.337 30.542 60.597 1.00 22.79 O +ATOM 2330 N SER A 293 -3.294 28.257 56.147 1.00 24.84 N +ATOM 2331 CA SER A 293 -2.449 27.178 55.645 1.00 25.85 C +ATOM 2332 C SER A 293 -1.543 26.615 56.703 1.00 29.05 C +ATOM 2333 O SER A 293 -1.151 25.453 56.641 1.00 31.87 O +ATOM 2334 CB SER A 293 -1.610 27.646 54.455 1.00 26.45 C +ATOM 2335 OG SER A 293 -0.673 28.634 54.838 1.00 28.20 O +ATOM 2336 N ASP A 294 -1.213 27.434 57.688 1.00 31.58 N +ATOM 2337 CA ASP A 294 -0.330 26.993 58.759 1.00 30.27 C +ATOM 2338 C ASP A 294 -0.954 25.911 59.616 1.00 28.81 C +ATOM 2339 O ASP A 294 -0.234 25.113 60.209 1.00 32.71 O +ATOM 2340 CB ASP A 294 0.054 28.173 59.657 1.00 33.04 C +ATOM 2341 CG ASP A 294 1.128 29.056 59.041 1.00 32.82 C +ATOM 2342 OD1 ASP A 294 1.931 28.558 58.225 1.00 32.79 O +ATOM 2343 OD2 ASP A 294 1.165 30.258 59.377 1.00 39.29 O +ATOM 2344 N LYS A 295 -2.282 25.869 59.676 1.00 26.20 N +ATOM 2345 CA LYS A 295 -2.963 24.886 60.508 1.00 25.15 C +ATOM 2346 C LYS A 295 -3.534 23.704 59.743 1.00 23.25 C +ATOM 2347 O LYS A 295 -4.218 22.855 60.312 1.00 20.76 O +ATOM 2348 CB LYS A 295 -4.057 25.583 61.322 1.00 26.37 C +ATOM 2349 CG LYS A 295 -3.487 26.480 62.407 1.00 27.96 C +ATOM 2350 CD LYS A 295 -4.441 27.583 62.797 1.00 33.62 C +ATOM 2351 CE LYS A 295 -3.761 28.611 63.694 1.00 38.75 C +ATOM 2352 NZ LYS A 295 -4.301 28.587 65.095 1.00 42.55 N +ATOM 2353 N ARG A 296 -3.247 23.651 58.450 1.00 23.22 N +ATOM 2354 CA ARG A 296 -3.711 22.540 57.631 1.00 22.11 C +ATOM 2355 C ARG A 296 -2.938 21.267 58.017 1.00 24.66 C +ATOM 2356 O ARG A 296 -1.848 21.320 58.600 1.00 24.17 O +ATOM 2357 CB ARG A 296 -3.498 22.848 56.143 1.00 20.71 C +ATOM 2358 CG ARG A 296 -4.739 23.358 55.435 1.00 23.93 C +ATOM 2359 CD ARG A 296 -4.424 23.902 54.049 1.00 20.78 C +ATOM 2360 NE ARG A 296 -5.091 25.177 53.787 1.00 20.37 N +ATOM 2361 CZ ARG A 296 -4.680 26.069 52.893 1.00 17.14 C +ATOM 2362 NH1 ARG A 296 -3.608 25.827 52.161 1.00 17.31 N +ATOM 2363 NH2 ARG A 296 -5.343 27.200 52.722 1.00 20.75 N +ATOM 2364 N ILE A 297 -3.516 20.117 57.699 1.00 24.89 N +ATOM 2365 CA ILE A 297 -2.886 18.842 57.996 1.00 22.78 C +ATOM 2366 C ILE A 297 -1.787 18.554 56.932 1.00 22.74 C +ATOM 2367 O ILE A 297 -1.877 19.008 55.791 1.00 24.48 O +ATOM 2368 CB ILE A 297 -3.986 17.732 58.028 1.00 19.13 C +ATOM 2369 CG1 ILE A 297 -3.464 16.485 58.735 1.00 20.82 C +ATOM 2370 CG2 ILE A 297 -4.461 17.423 56.633 1.00 21.33 C +ATOM 2371 CD1 ILE A 297 -4.543 15.504 59.131 1.00 17.53 C +ATOM 2372 N THR A 298 -0.725 17.847 57.306 1.00 24.42 N +ATOM 2373 CA THR A 298 0.323 17.521 56.331 1.00 25.36 C +ATOM 2374 C THR A 298 0.008 16.161 55.737 1.00 24.93 C +ATOM 2375 O THR A 298 -0.691 15.346 56.357 1.00 26.34 O +ATOM 2376 CB THR A 298 1.726 17.407 56.969 1.00 26.16 C +ATOM 2377 OG1 THR A 298 1.749 16.293 57.875 1.00 24.11 O +ATOM 2378 CG2 THR A 298 2.094 18.695 57.706 1.00 27.21 C +ATOM 2379 N ALA A 299 0.532 15.905 54.545 1.00 23.05 N +ATOM 2380 CA ALA A 299 0.289 14.623 53.897 1.00 21.22 C +ATOM 2381 C ALA A 299 0.639 13.458 54.831 1.00 19.47 C +ATOM 2382 O ALA A 299 -0.145 12.521 54.987 1.00 19.56 O +ATOM 2383 CB ALA A 299 1.091 14.527 52.595 1.00 17.62 C +ATOM 2384 N ALA A 300 1.809 13.525 55.461 1.00 19.69 N +ATOM 2385 CA ALA A 300 2.247 12.459 56.356 1.00 21.31 C +ATOM 2386 C ALA A 300 1.280 12.289 57.528 1.00 22.07 C +ATOM 2387 O ALA A 300 1.041 11.178 57.989 1.00 25.98 O +ATOM 2388 CB ALA A 300 3.646 12.748 56.845 1.00 19.73 C +ATOM 2389 N GLN A 301 0.721 13.392 58.004 1.00 24.65 N +ATOM 2390 CA GLN A 301 -0.244 13.351 59.097 1.00 26.70 C +ATOM 2391 C GLN A 301 -1.548 12.715 58.605 1.00 27.04 C +ATOM 2392 O GLN A 301 -2.128 11.858 59.283 1.00 26.23 O +ATOM 2393 CB GLN A 301 -0.563 14.759 59.563 1.00 32.00 C +ATOM 2394 CG GLN A 301 0.387 15.319 60.583 1.00 36.43 C +ATOM 2395 CD GLN A 301 -0.075 16.672 61.093 1.00 40.55 C +ATOM 2396 OE1 GLN A 301 -0.056 17.672 60.353 1.00 36.85 O +ATOM 2397 NE2 GLN A 301 -0.500 16.712 62.368 1.00 43.20 N +ATOM 2398 N ALA A 302 -2.004 13.148 57.425 1.00 23.98 N +ATOM 2399 CA ALA A 302 -3.242 12.648 56.829 1.00 21.59 C +ATOM 2400 C ALA A 302 -3.232 11.132 56.629 1.00 19.96 C +ATOM 2401 O ALA A 302 -4.244 10.462 56.833 1.00 19.48 O +ATOM 2402 CB ALA A 302 -3.500 13.362 55.499 1.00 17.19 C +ATOM 2403 N LEU A 303 -2.079 10.602 56.239 1.00 19.72 N +ATOM 2404 CA LEU A 303 -1.916 9.171 56.009 1.00 21.13 C +ATOM 2405 C LEU A 303 -2.146 8.353 57.278 1.00 22.56 C +ATOM 2406 O LEU A 303 -2.526 7.177 57.201 1.00 19.38 O +ATOM 2407 CB LEU A 303 -0.516 8.883 55.461 1.00 19.82 C +ATOM 2408 CG LEU A 303 -0.354 9.206 53.981 1.00 20.46 C +ATOM 2409 CD1 LEU A 303 1.115 9.207 53.616 1.00 20.89 C +ATOM 2410 CD2 LEU A 303 -1.116 8.182 53.155 1.00 16.94 C +ATOM 2411 N ALA A 304 -1.904 8.972 58.436 1.00 23.04 N +ATOM 2412 CA ALA A 304 -2.095 8.309 59.727 1.00 24.04 C +ATOM 2413 C ALA A 304 -3.531 8.445 60.210 1.00 25.50 C +ATOM 2414 O ALA A 304 -3.895 7.859 61.224 1.00 26.95 O +ATOM 2415 CB ALA A 304 -1.141 8.882 60.772 1.00 18.27 C +ATOM 2416 N HIS A 305 -4.341 9.211 59.475 1.00 24.81 N +ATOM 2417 CA HIS A 305 -5.738 9.423 59.836 1.00 22.38 C +ATOM 2418 C HIS A 305 -6.524 8.121 59.845 1.00 23.73 C +ATOM 2419 O HIS A 305 -6.319 7.270 58.991 1.00 24.08 O +ATOM 2420 CB HIS A 305 -6.397 10.415 58.871 1.00 21.32 C +ATOM 2421 CG HIS A 305 -7.658 11.022 59.409 1.00 19.79 C +ATOM 2422 ND1 HIS A 305 -8.894 10.430 59.255 1.00 16.11 N +ATOM 2423 CD2 HIS A 305 -7.869 12.147 60.139 1.00 18.93 C +ATOM 2424 CE1 HIS A 305 -9.810 11.157 59.871 1.00 18.75 C +ATOM 2425 NE2 HIS A 305 -9.214 12.206 60.416 1.00 14.82 N +ATOM 2426 N ALA A 306 -7.433 7.982 60.806 1.00 22.66 N +ATOM 2427 CA ALA A 306 -8.248 6.777 60.932 1.00 22.15 C +ATOM 2428 C ALA A 306 -9.003 6.414 59.663 1.00 24.28 C +ATOM 2429 O ALA A 306 -9.438 5.269 59.483 1.00 25.86 O +ATOM 2430 CB ALA A 306 -9.225 6.945 62.055 1.00 19.82 C +ATOM 2431 N TYR A 307 -9.165 7.394 58.783 1.00 26.03 N +ATOM 2432 CA TYR A 307 -9.896 7.191 57.542 1.00 24.53 C +ATOM 2433 C TYR A 307 -9.215 6.206 56.572 1.00 25.84 C +ATOM 2434 O TYR A 307 -9.892 5.518 55.789 1.00 25.79 O +ATOM 2435 CB TYR A 307 -10.119 8.542 56.866 1.00 20.54 C +ATOM 2436 CG TYR A 307 -11.015 8.456 55.655 1.00 21.88 C +ATOM 2437 CD1 TYR A 307 -12.228 7.771 55.702 1.00 20.21 C +ATOM 2438 CD2 TYR A 307 -10.637 9.029 54.452 1.00 22.07 C +ATOM 2439 CE1 TYR A 307 -13.034 7.659 54.576 1.00 19.89 C +ATOM 2440 CE2 TYR A 307 -11.438 8.922 53.323 1.00 23.51 C +ATOM 2441 CZ TYR A 307 -12.630 8.237 53.389 1.00 21.50 C +ATOM 2442 OH TYR A 307 -13.408 8.134 52.254 1.00 21.67 O +ATOM 2443 N PHE A 308 -7.883 6.147 56.625 1.00 26.20 N +ATOM 2444 CA PHE A 308 -7.103 5.245 55.780 1.00 28.14 C +ATOM 2445 C PHE A 308 -6.583 4.047 56.573 1.00 29.52 C +ATOM 2446 O PHE A 308 -5.611 3.418 56.170 1.00 29.50 O +ATOM 2447 CB PHE A 308 -5.911 5.991 55.178 1.00 29.00 C +ATOM 2448 CG PHE A 308 -6.296 7.214 54.419 1.00 26.58 C +ATOM 2449 CD1 PHE A 308 -7.046 7.107 53.247 1.00 27.53 C +ATOM 2450 CD2 PHE A 308 -5.951 8.470 54.886 1.00 21.74 C +ATOM 2451 CE1 PHE A 308 -7.456 8.240 52.541 1.00 27.16 C +ATOM 2452 CE2 PHE A 308 -6.351 9.613 54.195 1.00 29.24 C +ATOM 2453 CZ PHE A 308 -7.112 9.498 53.013 1.00 29.25 C +ATOM 2454 N ALA A 309 -7.234 3.736 57.691 1.00 30.36 N +ATOM 2455 CA ALA A 309 -6.828 2.626 58.548 1.00 30.61 C +ATOM 2456 C ALA A 309 -6.659 1.333 57.753 1.00 33.34 C +ATOM 2457 O ALA A 309 -5.797 0.505 58.058 1.00 31.58 O +ATOM 2458 CB ALA A 309 -7.855 2.430 59.650 1.00 27.24 C +ATOM 2459 N GLN A 310 -7.474 1.177 56.718 1.00 35.58 N +ATOM 2460 CA GLN A 310 -7.431 -0.011 55.877 1.00 38.91 C +ATOM 2461 C GLN A 310 -6.264 -0.108 54.884 1.00 38.34 C +ATOM 2462 O GLN A 310 -6.020 -1.185 54.347 1.00 37.43 O +ATOM 2463 CB GLN A 310 -8.746 -0.137 55.117 1.00 45.30 C +ATOM 2464 CG GLN A 310 -9.016 -1.528 54.587 1.00 56.17 C +ATOM 2465 CD GLN A 310 -10.022 -1.527 53.448 1.00 64.40 C +ATOM 2466 OE1 GLN A 310 -10.646 -0.493 53.143 1.00 68.13 O +ATOM 2467 NE2 GLN A 310 -10.190 -2.687 52.807 1.00 66.87 N +ATOM 2468 N TYR A 311 -5.550 0.996 54.637 1.00 37.76 N +ATOM 2469 CA TYR A 311 -4.416 0.996 53.696 1.00 33.91 C +ATOM 2470 C TYR A 311 -3.086 1.503 54.277 1.00 32.51 C +ATOM 2471 O TYR A 311 -2.013 1.162 53.781 1.00 33.38 O +ATOM 2472 CB TYR A 311 -4.751 1.819 52.447 1.00 32.18 C +ATOM 2473 CG TYR A 311 -6.032 1.419 51.767 1.00 30.96 C +ATOM 2474 CD1 TYR A 311 -7.243 1.985 52.146 1.00 34.23 C +ATOM 2475 CD2 TYR A 311 -6.038 0.485 50.739 1.00 30.83 C +ATOM 2476 CE1 TYR A 311 -8.442 1.635 51.513 1.00 35.41 C +ATOM 2477 CE2 TYR A 311 -7.230 0.126 50.098 1.00 33.39 C +ATOM 2478 CZ TYR A 311 -8.429 0.707 50.492 1.00 34.31 C +ATOM 2479 OH TYR A 311 -9.612 0.367 49.873 1.00 35.44 O +ATOM 2480 N HIS A 312 -3.155 2.307 55.329 1.00 31.15 N +ATOM 2481 CA HIS A 312 -1.946 2.850 55.935 1.00 30.99 C +ATOM 2482 C HIS A 312 -0.983 1.795 56.480 1.00 32.07 C +ATOM 2483 O HIS A 312 -1.386 0.861 57.159 1.00 33.13 O +ATOM 2484 CB HIS A 312 -2.312 3.828 57.052 1.00 28.32 C +ATOM 2485 CG HIS A 312 -1.130 4.512 57.659 1.00 27.96 C +ATOM 2486 ND1 HIS A 312 -0.912 4.562 59.019 1.00 26.70 N +ATOM 2487 CD2 HIS A 312 -0.083 5.156 57.090 1.00 27.64 C +ATOM 2488 CE1 HIS A 312 0.218 5.202 59.262 1.00 25.03 C +ATOM 2489 NE2 HIS A 312 0.739 5.573 58.108 1.00 26.53 N +ATOM 2490 N ASP A 313 0.295 1.974 56.171 1.00 32.34 N +ATOM 2491 CA ASP A 313 1.363 1.088 56.605 1.00 33.25 C +ATOM 2492 C ASP A 313 2.546 2.034 56.521 1.00 32.35 C +ATOM 2493 O ASP A 313 3.072 2.280 55.439 1.00 33.08 O +ATOM 2494 CB ASP A 313 1.512 -0.073 55.623 1.00 40.31 C +ATOM 2495 CG ASP A 313 2.796 -0.869 55.839 1.00 45.82 C +ATOM 2496 OD1 ASP A 313 3.547 -0.551 56.801 1.00 46.89 O +ATOM 2497 OD2 ASP A 313 3.045 -1.808 55.040 1.00 46.36 O +ATOM 2498 N PRO A 314 2.994 2.564 57.669 1.00 32.42 N +ATOM 2499 CA PRO A 314 4.116 3.507 57.691 1.00 32.44 C +ATOM 2500 C PRO A 314 5.370 3.008 57.025 1.00 34.11 C +ATOM 2501 O PRO A 314 6.216 3.803 56.621 1.00 36.26 O +ATOM 2502 CB PRO A 314 4.333 3.807 59.177 1.00 33.09 C +ATOM 2503 CG PRO A 314 3.605 2.735 59.915 1.00 34.39 C +ATOM 2504 CD PRO A 314 2.507 2.241 59.021 1.00 33.33 C +ATOM 2505 N ASP A 315 5.491 1.692 56.893 1.00 35.67 N +ATOM 2506 CA ASP A 315 6.684 1.121 56.283 1.00 35.58 C +ATOM 2507 C ASP A 315 6.595 1.112 54.774 1.00 35.64 C +ATOM 2508 O ASP A 315 7.578 0.842 54.091 1.00 35.77 O +ATOM 2509 CB ASP A 315 6.927 -0.287 56.808 1.00 36.19 C +ATOM 2510 CG ASP A 315 7.259 -0.295 58.276 1.00 38.90 C +ATOM 2511 OD1 ASP A 315 7.935 0.657 58.730 1.00 35.81 O +ATOM 2512 OD2 ASP A 315 6.843 -1.244 58.976 1.00 42.85 O +ATOM 2513 N ASP A 316 5.414 1.409 54.249 1.00 34.29 N +ATOM 2514 CA ASP A 316 5.251 1.432 52.812 1.00 33.68 C +ATOM 2515 C ASP A 316 4.893 2.808 52.278 1.00 33.15 C +ATOM 2516 O ASP A 316 4.235 2.930 51.241 1.00 34.79 O +ATOM 2517 CB ASP A 316 4.191 0.427 52.371 1.00 34.77 C +ATOM 2518 CG ASP A 316 4.391 -0.017 50.934 1.00 37.15 C +ATOM 2519 OD1 ASP A 316 5.390 0.417 50.303 1.00 34.06 O +ATOM 2520 OD2 ASP A 316 3.551 -0.797 50.440 1.00 37.95 O +ATOM 2521 N GLU A 317 5.328 3.849 52.976 1.00 28.89 N +ATOM 2522 CA GLU A 317 5.059 5.203 52.525 1.00 25.55 C +ATOM 2523 C GLU A 317 6.397 5.926 52.548 1.00 25.85 C +ATOM 2524 O GLU A 317 6.645 6.772 53.405 1.00 25.15 O +ATOM 2525 CB GLU A 317 4.045 5.842 53.460 1.00 25.24 C +ATOM 2526 CG GLU A 317 2.657 5.278 53.237 1.00 22.63 C +ATOM 2527 CD GLU A 317 1.796 5.299 54.463 1.00 21.77 C +ATOM 2528 OE1 GLU A 317 2.163 6.005 55.438 1.00 23.51 O +ATOM 2529 OE2 GLU A 317 0.747 4.610 54.441 1.00 19.34 O +ATOM 2530 N PRO A 318 7.271 5.611 51.575 1.00 23.32 N +ATOM 2531 CA PRO A 318 8.605 6.196 51.454 1.00 20.70 C +ATOM 2532 C PRO A 318 8.676 7.667 51.145 1.00 22.52 C +ATOM 2533 O PRO A 318 7.744 8.252 50.595 1.00 25.10 O +ATOM 2534 CB PRO A 318 9.255 5.360 50.364 1.00 20.79 C +ATOM 2535 CG PRO A 318 8.124 4.906 49.530 1.00 21.06 C +ATOM 2536 CD PRO A 318 6.988 4.677 50.471 1.00 23.55 C +ATOM 2537 N VAL A 319 9.806 8.262 51.521 1.00 23.24 N +ATOM 2538 CA VAL A 319 10.058 9.671 51.265 1.00 24.01 C +ATOM 2539 C VAL A 319 11.120 9.746 50.159 1.00 24.73 C +ATOM 2540 O VAL A 319 11.658 8.717 49.731 1.00 24.89 O +ATOM 2541 CB VAL A 319 10.526 10.421 52.556 1.00 23.95 C +ATOM 2542 CG1 VAL A 319 9.387 10.440 53.570 1.00 22.27 C +ATOM 2543 CG2 VAL A 319 11.757 9.755 53.160 1.00 21.27 C +ATOM 2544 N ALA A 320 11.417 10.952 49.693 1.00 22.73 N +ATOM 2545 CA ALA A 320 12.364 11.122 48.611 1.00 23.34 C +ATOM 2546 C ALA A 320 13.790 11.413 49.018 1.00 26.79 C +ATOM 2547 O ALA A 320 14.080 11.745 50.170 1.00 26.45 O +ATOM 2548 CB ALA A 320 11.890 12.216 47.700 1.00 21.75 C +ATOM 2549 N ASP A 321 14.684 11.277 48.042 1.00 29.66 N +ATOM 2550 CA ASP A 321 16.092 11.571 48.257 1.00 32.84 C +ATOM 2551 C ASP A 321 16.065 13.075 48.212 1.00 31.45 C +ATOM 2552 O ASP A 321 15.113 13.672 47.697 1.00 30.09 O +ATOM 2553 CB ASP A 321 16.969 11.083 47.099 1.00 37.04 C +ATOM 2554 CG ASP A 321 17.303 9.611 47.185 1.00 40.09 C +ATOM 2555 OD1 ASP A 321 17.246 9.033 48.297 1.00 36.25 O +ATOM 2556 OD2 ASP A 321 17.630 9.043 46.120 1.00 42.30 O +ATOM 2557 N PRO A 322 17.113 13.716 48.730 1.00 31.06 N +ATOM 2558 CA PRO A 322 17.104 15.179 48.693 1.00 31.32 C +ATOM 2559 C PRO A 322 17.049 15.698 47.250 1.00 30.75 C +ATOM 2560 O PRO A 322 17.689 15.142 46.357 1.00 30.22 O +ATOM 2561 CB PRO A 322 18.406 15.572 49.405 1.00 31.06 C +ATOM 2562 CG PRO A 322 18.880 14.326 50.104 1.00 31.97 C +ATOM 2563 CD PRO A 322 18.328 13.163 49.353 1.00 30.44 C +ATOM 2564 N TYR A 323 16.267 16.749 47.023 1.00 31.51 N +ATOM 2565 CA TYR A 323 16.162 17.342 45.697 1.00 31.33 C +ATOM 2566 C TYR A 323 16.837 18.716 45.694 1.00 33.11 C +ATOM 2567 O TYR A 323 16.402 19.647 46.383 1.00 33.78 O +ATOM 2568 CB TYR A 323 14.694 17.469 45.285 1.00 26.40 C +ATOM 2569 CG TYR A 323 14.484 18.170 43.959 1.00 29.50 C +ATOM 2570 CD1 TYR A 323 15.028 17.658 42.775 1.00 31.11 C +ATOM 2571 CD2 TYR A 323 13.722 19.335 43.880 1.00 29.36 C +ATOM 2572 CE1 TYR A 323 14.813 18.302 41.532 1.00 30.00 C +ATOM 2573 CE2 TYR A 323 13.502 19.980 42.656 1.00 29.17 C +ATOM 2574 CZ TYR A 323 14.048 19.463 41.486 1.00 30.33 C +ATOM 2575 OH TYR A 323 13.828 20.117 40.291 1.00 27.94 O +ATOM 2576 N ASP A 324 17.901 18.829 44.905 1.00 35.81 N +ATOM 2577 CA ASP A 324 18.679 20.056 44.791 1.00 35.67 C +ATOM 2578 C ASP A 324 18.045 21.041 43.811 1.00 34.26 C +ATOM 2579 O ASP A 324 18.120 20.848 42.600 1.00 34.16 O +ATOM 2580 CB ASP A 324 20.098 19.697 44.336 1.00 38.96 C +ATOM 2581 CG ASP A 324 21.026 20.905 44.265 1.00 41.84 C +ATOM 2582 OD1 ASP A 324 21.101 21.550 43.197 1.00 44.68 O +ATOM 2583 OD2 ASP A 324 21.697 21.209 45.270 1.00 44.51 O +ATOM 2584 N GLN A 325 17.418 22.095 44.326 1.00 33.46 N +ATOM 2585 CA GLN A 325 16.807 23.086 43.445 1.00 35.24 C +ATOM 2586 C GLN A 325 17.608 24.385 43.399 1.00 36.53 C +ATOM 2587 O GLN A 325 17.070 25.447 43.049 1.00 35.88 O +ATOM 2588 CB GLN A 325 15.390 23.427 43.892 1.00 35.78 C +ATOM 2589 CG GLN A 325 14.665 22.359 44.645 1.00 37.47 C +ATOM 2590 CD GLN A 325 13.172 22.587 44.607 1.00 38.41 C +ATOM 2591 OE1 GLN A 325 12.672 23.346 43.772 1.00 38.60 O +ATOM 2592 NE2 GLN A 325 12.447 21.934 45.505 1.00 38.85 N +ATOM 2593 N SER A 326 18.887 24.314 43.757 1.00 35.89 N +ATOM 2594 CA SER A 326 19.727 25.510 43.745 1.00 34.65 C +ATOM 2595 C SER A 326 19.634 26.195 42.388 1.00 33.09 C +ATOM 2596 O SER A 326 19.536 27.415 42.311 1.00 33.60 O +ATOM 2597 CB SER A 326 21.186 25.147 44.025 1.00 36.61 C +ATOM 2598 OG SER A 326 21.340 23.756 44.238 1.00 39.62 O +ATOM 2599 N PHE A 327 19.644 25.397 41.321 1.00 30.16 N +ATOM 2600 CA PHE A 327 19.578 25.925 39.966 1.00 28.02 C +ATOM 2601 C PHE A 327 18.447 26.936 39.784 1.00 27.72 C +ATOM 2602 O PHE A 327 18.539 27.849 38.975 1.00 25.32 O +ATOM 2603 CB PHE A 327 19.418 24.771 38.963 1.00 26.84 C +ATOM 2604 CG PHE A 327 18.053 24.116 38.986 1.00 28.26 C +ATOM 2605 CD1 PHE A 327 16.986 24.660 38.259 1.00 26.01 C +ATOM 2606 CD2 PHE A 327 17.839 22.943 39.723 1.00 26.67 C +ATOM 2607 CE1 PHE A 327 15.731 24.048 38.264 1.00 24.66 C +ATOM 2608 CE2 PHE A 327 16.592 22.323 39.735 1.00 25.43 C +ATOM 2609 CZ PHE A 327 15.535 22.875 39.004 1.00 24.82 C +ATOM 2610 N GLU A 328 17.374 26.772 40.542 1.00 31.29 N +ATOM 2611 CA GLU A 328 16.231 27.672 40.435 1.00 33.04 C +ATOM 2612 C GLU A 328 16.616 29.147 40.572 1.00 34.71 C +ATOM 2613 O GLU A 328 15.991 30.028 39.974 1.00 34.90 O +ATOM 2614 CB GLU A 328 15.194 27.299 41.489 1.00 30.15 C +ATOM 2615 CG GLU A 328 14.423 26.056 41.147 1.00 27.28 C +ATOM 2616 CD GLU A 328 13.609 26.216 39.890 1.00 27.59 C +ATOM 2617 OE1 GLU A 328 13.718 27.263 39.213 1.00 26.09 O +ATOM 2618 OE2 GLU A 328 12.849 25.283 39.582 1.00 33.57 O +ATOM 2619 N SER A 329 17.650 29.407 41.363 1.00 35.13 N +ATOM 2620 CA SER A 329 18.107 30.761 41.582 1.00 35.49 C +ATOM 2621 C SER A 329 19.365 31.059 40.789 1.00 36.25 C +ATOM 2622 O SER A 329 20.002 32.081 41.013 1.00 41.07 O +ATOM 2623 CB SER A 329 18.363 30.992 43.074 1.00 35.28 C +ATOM 2624 OG SER A 329 18.826 29.820 43.719 1.00 36.08 O +ATOM 2625 N ARG A 330 19.730 30.173 39.867 1.00 37.10 N +ATOM 2626 CA ARG A 330 20.928 30.383 39.047 1.00 36.83 C +ATOM 2627 C ARG A 330 20.621 31.259 37.837 1.00 35.97 C +ATOM 2628 O ARG A 330 19.574 31.118 37.194 1.00 33.69 O +ATOM 2629 CB ARG A 330 21.516 29.039 38.588 1.00 36.14 C +ATOM 2630 CG ARG A 330 23.035 28.951 38.674 1.00 38.79 C +ATOM 2631 CD ARG A 330 23.511 27.794 39.553 1.00 39.33 C +ATOM 2632 NE ARG A 330 23.752 28.242 40.924 1.00 44.94 N +ATOM 2633 CZ ARG A 330 23.639 27.472 42.006 1.00 44.83 C +ATOM 2634 NH1 ARG A 330 23.289 26.198 41.894 1.00 45.35 N +ATOM 2635 NH2 ARG A 330 23.836 27.995 43.210 1.00 45.61 N +ATOM 2636 N ASP A 331 21.544 32.173 37.551 1.00 37.16 N +ATOM 2637 CA ASP A 331 21.421 33.107 36.434 1.00 42.45 C +ATOM 2638 C ASP A 331 22.357 32.669 35.299 1.00 41.75 C +ATOM 2639 O ASP A 331 23.548 33.008 35.292 1.00 41.01 O +ATOM 2640 CB ASP A 331 21.774 34.527 36.906 1.00 48.67 C +ATOM 2641 CG ASP A 331 21.436 35.612 35.864 1.00 54.22 C +ATOM 2642 OD1 ASP A 331 20.764 35.306 34.841 1.00 56.16 O +ATOM 2643 OD2 ASP A 331 21.851 36.780 36.077 1.00 55.22 O +ATOM 2644 N LEU A 332 21.797 31.925 34.342 1.00 39.21 N +ATOM 2645 CA LEU A 332 22.549 31.384 33.215 1.00 35.44 C +ATOM 2646 C LEU A 332 22.046 31.810 31.841 1.00 35.56 C +ATOM 2647 O LEU A 332 20.898 32.231 31.685 1.00 35.52 O +ATOM 2648 CB LEU A 332 22.525 29.858 33.276 1.00 32.71 C +ATOM 2649 CG LEU A 332 23.041 29.164 34.531 1.00 32.45 C +ATOM 2650 CD1 LEU A 332 22.806 27.672 34.397 1.00 32.62 C +ATOM 2651 CD2 LEU A 332 24.522 29.462 34.729 1.00 32.60 C +ATOM 2652 N LEU A 333 22.912 31.673 30.841 1.00 35.40 N +ATOM 2653 CA LEU A 333 22.550 32.009 29.471 1.00 40.31 C +ATOM 2654 C LEU A 333 21.855 30.787 28.858 1.00 41.65 C +ATOM 2655 O LEU A 333 21.915 29.691 29.425 1.00 40.76 O +ATOM 2656 CB LEU A 333 23.804 32.364 28.666 1.00 41.72 C +ATOM 2657 CG LEU A 333 24.671 33.471 29.276 1.00 41.99 C +ATOM 2658 CD1 LEU A 333 26.128 33.189 28.983 1.00 41.46 C +ATOM 2659 CD2 LEU A 333 24.266 34.824 28.706 1.00 41.02 C +ATOM 2660 N ILE A 334 21.197 30.963 27.711 1.00 42.11 N +ATOM 2661 CA ILE A 334 20.501 29.845 27.078 1.00 41.83 C +ATOM 2662 C ILE A 334 21.442 28.644 26.912 1.00 42.49 C +ATOM 2663 O ILE A 334 21.142 27.536 27.357 1.00 42.02 O +ATOM 2664 CB ILE A 334 19.924 30.239 25.686 1.00 40.01 C +ATOM 2665 CG1 ILE A 334 18.727 31.180 25.861 1.00 41.21 C +ATOM 2666 CG2 ILE A 334 19.479 28.989 24.933 1.00 38.90 C +ATOM 2667 CD1 ILE A 334 17.933 31.445 24.580 1.00 37.45 C +ATOM 2668 N ASP A 335 22.590 28.880 26.290 1.00 42.03 N +ATOM 2669 CA ASP A 335 23.564 27.829 26.049 1.00 42.08 C +ATOM 2670 C ASP A 335 24.003 27.103 27.314 1.00 39.97 C +ATOM 2671 O ASP A 335 24.435 25.942 27.266 1.00 39.09 O +ATOM 2672 CB ASP A 335 24.790 28.425 25.361 1.00 47.12 C +ATOM 2673 CG ASP A 335 24.649 28.449 23.856 1.00 52.81 C +ATOM 2674 OD1 ASP A 335 23.493 28.557 23.384 1.00 56.42 O +ATOM 2675 OD2 ASP A 335 25.683 28.357 23.147 1.00 54.36 O +ATOM 2676 N GLU A 336 23.912 27.790 28.445 1.00 36.96 N +ATOM 2677 CA GLU A 336 24.324 27.187 29.698 1.00 35.50 C +ATOM 2678 C GLU A 336 23.203 26.296 30.236 1.00 36.30 C +ATOM 2679 O GLU A 336 23.465 25.248 30.841 1.00 37.40 O +ATOM 2680 CB GLU A 336 24.714 28.277 30.701 1.00 34.10 C +ATOM 2681 CG GLU A 336 26.034 28.964 30.359 1.00 32.84 C +ATOM 2682 CD GLU A 336 26.368 30.143 31.268 1.00 34.66 C +ATOM 2683 OE1 GLU A 336 25.452 30.720 31.896 1.00 34.28 O +ATOM 2684 OE2 GLU A 336 27.563 30.492 31.349 1.00 36.18 O +ATOM 2685 N TRP A 337 21.954 26.701 30.009 1.00 35.08 N +ATOM 2686 CA TRP A 337 20.809 25.904 30.454 1.00 32.95 C +ATOM 2687 C TRP A 337 20.773 24.690 29.526 1.00 32.61 C +ATOM 2688 O TRP A 337 20.475 23.575 29.942 1.00 33.42 O +ATOM 2689 CB TRP A 337 19.505 26.709 30.318 1.00 29.67 C +ATOM 2690 CG TRP A 337 19.209 27.609 31.478 1.00 27.47 C +ATOM 2691 CD1 TRP A 337 18.957 28.958 31.438 1.00 29.60 C +ATOM 2692 CD2 TRP A 337 19.161 27.234 32.854 1.00 25.20 C +ATOM 2693 NE1 TRP A 337 18.759 29.442 32.710 1.00 26.98 N +ATOM 2694 CE2 TRP A 337 18.879 28.407 33.599 1.00 26.72 C +ATOM 2695 CE3 TRP A 337 19.330 26.021 33.534 1.00 25.90 C +ATOM 2696 CZ2 TRP A 337 18.764 28.398 34.998 1.00 27.24 C +ATOM 2697 CZ3 TRP A 337 19.215 26.009 34.923 1.00 27.93 C +ATOM 2698 CH2 TRP A 337 18.935 27.193 35.641 1.00 27.29 C +ATOM 2699 N LYS A 338 21.106 24.942 28.264 1.00 35.09 N +ATOM 2700 CA LYS A 338 21.149 23.938 27.203 1.00 35.91 C +ATOM 2701 C LYS A 338 22.253 22.911 27.439 1.00 35.92 C +ATOM 2702 O LYS A 338 22.104 21.741 27.100 1.00 36.92 O +ATOM 2703 CB LYS A 338 21.376 24.643 25.865 1.00 37.88 C +ATOM 2704 CG LYS A 338 21.345 23.756 24.647 1.00 41.66 C +ATOM 2705 CD LYS A 338 20.928 24.573 23.431 1.00 45.73 C +ATOM 2706 CE LYS A 338 21.897 24.381 22.301 1.00 48.43 C +ATOM 2707 NZ LYS A 338 22.417 22.997 22.351 1.00 53.20 N +ATOM 2708 N SER A 339 23.369 23.352 28.007 1.00 35.67 N +ATOM 2709 CA SER A 339 24.467 22.442 28.289 1.00 35.18 C +ATOM 2710 C SER A 339 24.102 21.560 29.484 1.00 34.55 C +ATOM 2711 O SER A 339 24.371 20.354 29.489 1.00 36.95 O +ATOM 2712 CB SER A 339 25.751 23.221 28.592 1.00 35.08 C +ATOM 2713 OG SER A 339 26.831 22.323 28.826 1.00 37.74 O +ATOM 2714 N LEU A 340 23.488 22.170 30.494 1.00 31.42 N +ATOM 2715 CA LEU A 340 23.081 21.444 31.693 1.00 30.29 C +ATOM 2716 C LEU A 340 22.048 20.392 31.328 1.00 29.34 C +ATOM 2717 O LEU A 340 22.079 19.281 31.851 1.00 29.55 O +ATOM 2718 CB LEU A 340 22.472 22.402 32.719 1.00 30.55 C +ATOM 2719 CG LEU A 340 23.264 22.692 33.991 1.00 28.78 C +ATOM 2720 CD1 LEU A 340 24.742 22.442 33.764 1.00 28.37 C +ATOM 2721 CD2 LEU A 340 23.017 24.132 34.388 1.00 29.79 C +ATOM 2722 N THR A 341 21.126 20.760 30.438 1.00 28.47 N +ATOM 2723 CA THR A 341 20.082 19.845 29.992 1.00 28.02 C +ATOM 2724 C THR A 341 20.747 18.659 29.301 1.00 28.44 C +ATOM 2725 O THR A 341 20.452 17.502 29.613 1.00 27.10 O +ATOM 2726 CB THR A 341 19.093 20.533 29.004 1.00 26.70 C +ATOM 2727 OG1 THR A 341 18.306 21.506 29.703 1.00 25.70 O +ATOM 2728 CG2 THR A 341 18.154 19.519 28.386 1.00 24.06 C +ATOM 2729 N TYR A 342 21.661 18.953 28.381 1.00 29.18 N +ATOM 2730 CA TYR A 342 22.366 17.912 27.647 1.00 29.31 C +ATOM 2731 C TYR A 342 23.061 16.932 28.573 1.00 31.48 C +ATOM 2732 O TYR A 342 23.059 15.729 28.323 1.00 31.20 O +ATOM 2733 CB TYR A 342 23.406 18.525 26.731 1.00 33.31 C +ATOM 2734 CG TYR A 342 24.122 17.504 25.891 1.00 35.56 C +ATOM 2735 CD1 TYR A 342 23.455 16.838 24.860 1.00 38.16 C +ATOM 2736 CD2 TYR A 342 25.475 17.226 26.098 1.00 34.82 C +ATOM 2737 CE1 TYR A 342 24.115 15.924 24.049 1.00 40.58 C +ATOM 2738 CE2 TYR A 342 26.152 16.316 25.297 1.00 36.54 C +ATOM 2739 CZ TYR A 342 25.466 15.665 24.270 1.00 40.24 C +ATOM 2740 OH TYR A 342 26.119 14.758 23.462 1.00 41.37 O +ATOM 2741 N ASP A 343 23.684 17.454 29.628 1.00 33.87 N +ATOM 2742 CA ASP A 343 24.387 16.616 30.600 1.00 34.82 C +ATOM 2743 C ASP A 343 23.386 15.672 31.282 1.00 32.43 C +ATOM 2744 O ASP A 343 23.657 14.486 31.478 1.00 29.95 O +ATOM 2745 CB ASP A 343 25.052 17.487 31.680 1.00 40.16 C +ATOM 2746 CG ASP A 343 26.283 18.245 31.171 1.00 45.27 C +ATOM 2747 OD1 ASP A 343 26.737 17.970 30.028 1.00 44.94 O +ATOM 2748 OD2 ASP A 343 26.790 19.117 31.933 1.00 47.28 O +ATOM 2749 N GLU A 344 22.233 16.223 31.648 1.00 28.41 N +ATOM 2750 CA GLU A 344 21.195 15.467 32.312 1.00 25.88 C +ATOM 2751 C GLU A 344 20.648 14.398 31.374 1.00 27.51 C +ATOM 2752 O GLU A 344 20.310 13.302 31.820 1.00 27.57 O +ATOM 2753 CB GLU A 344 20.085 16.415 32.774 1.00 25.42 C +ATOM 2754 CG GLU A 344 20.461 17.277 33.972 1.00 24.92 C +ATOM 2755 CD GLU A 344 20.771 16.448 35.213 1.00 28.98 C +ATOM 2756 OE1 GLU A 344 20.385 15.263 35.256 1.00 30.75 O +ATOM 2757 OE2 GLU A 344 21.402 16.973 36.157 1.00 31.92 O +ATOM 2758 N VAL A 345 20.557 14.725 30.081 1.00 25.33 N +ATOM 2759 CA VAL A 345 20.081 13.792 29.049 1.00 26.00 C +ATOM 2760 C VAL A 345 21.119 12.655 28.908 1.00 31.00 C +ATOM 2761 O VAL A 345 20.830 11.464 29.131 1.00 29.96 O +ATOM 2762 CB VAL A 345 19.931 14.506 27.660 1.00 23.33 C +ATOM 2763 CG1 VAL A 345 19.993 13.485 26.534 1.00 21.35 C +ATOM 2764 CG2 VAL A 345 18.620 15.285 27.590 1.00 17.92 C +ATOM 2765 N ILE A 346 22.330 13.054 28.529 1.00 33.51 N +ATOM 2766 CA ILE A 346 23.474 12.157 28.359 1.00 33.99 C +ATOM 2767 C ILE A 346 23.649 11.186 29.548 1.00 33.95 C +ATOM 2768 O ILE A 346 23.921 10.003 29.371 1.00 35.88 O +ATOM 2769 CB ILE A 346 24.767 13.022 28.177 1.00 32.55 C +ATOM 2770 CG1 ILE A 346 24.730 13.695 26.815 1.00 32.26 C +ATOM 2771 CG2 ILE A 346 26.023 12.189 28.306 1.00 33.97 C +ATOM 2772 CD1 ILE A 346 24.363 12.775 25.696 1.00 28.93 C +ATOM 2773 N SER A 347 23.462 11.689 30.756 1.00 33.49 N +ATOM 2774 CA SER A 347 23.639 10.879 31.947 1.00 35.51 C +ATOM 2775 C SER A 347 22.447 10.056 32.454 1.00 36.93 C +ATOM 2776 O SER A 347 22.568 9.385 33.478 1.00 38.99 O +ATOM 2777 CB SER A 347 24.127 11.780 33.083 1.00 35.44 C +ATOM 2778 OG SER A 347 23.144 12.744 33.440 1.00 39.80 O +ATOM 2779 N PHE A 348 21.310 10.078 31.772 1.00 34.22 N +ATOM 2780 CA PHE A 348 20.171 9.332 32.284 1.00 33.32 C +ATOM 2781 C PHE A 348 20.441 7.829 32.496 1.00 37.80 C +ATOM 2782 O PHE A 348 20.873 7.128 31.580 1.00 38.67 O +ATOM 2783 CB PHE A 348 18.950 9.528 31.367 1.00 28.54 C +ATOM 2784 CG PHE A 348 17.742 8.749 31.810 1.00 27.48 C +ATOM 2785 CD1 PHE A 348 16.997 9.162 32.905 1.00 22.75 C +ATOM 2786 CD2 PHE A 348 17.401 7.547 31.185 1.00 26.97 C +ATOM 2787 CE1 PHE A 348 15.931 8.387 33.381 1.00 25.16 C +ATOM 2788 CE2 PHE A 348 16.337 6.761 31.651 1.00 26.67 C +ATOM 2789 CZ PHE A 348 15.600 7.182 32.755 1.00 25.03 C +ATOM 2790 N VAL A 349 20.209 7.340 33.712 1.00 39.79 N +ATOM 2791 CA VAL A 349 20.385 5.916 33.992 1.00 42.17 C +ATOM 2792 C VAL A 349 18.991 5.380 34.223 1.00 44.76 C +ATOM 2793 O VAL A 349 18.309 5.783 35.149 1.00 44.81 O +ATOM 2794 CB VAL A 349 21.230 5.651 35.228 1.00 41.67 C +ATOM 2795 CG1 VAL A 349 21.066 4.198 35.652 1.00 40.55 C +ATOM 2796 CG2 VAL A 349 22.682 5.932 34.906 1.00 42.42 C +ATOM 2797 N PRO A 350 18.569 4.424 33.403 1.00 49.58 N +ATOM 2798 CA PRO A 350 17.236 3.831 33.494 1.00 54.10 C +ATOM 2799 C PRO A 350 16.836 3.067 34.741 1.00 58.67 C +ATOM 2800 O PRO A 350 17.668 2.450 35.407 1.00 59.14 O +ATOM 2801 CB PRO A 350 17.160 2.941 32.256 1.00 53.74 C +ATOM 2802 CG PRO A 350 18.563 2.555 32.014 1.00 51.41 C +ATOM 2803 CD PRO A 350 19.377 3.772 32.360 1.00 51.40 C +ATOM 2804 N PRO A 351 15.537 3.128 35.079 1.00 63.86 N +ATOM 2805 CA PRO A 351 15.002 2.420 36.245 1.00 68.56 C +ATOM 2806 C PRO A 351 15.116 0.923 35.946 1.00 73.08 C +ATOM 2807 O PRO A 351 14.913 0.496 34.811 1.00 72.69 O +ATOM 2808 CB PRO A 351 13.546 2.880 36.315 1.00 67.68 C +ATOM 2809 CG PRO A 351 13.222 3.378 34.950 1.00 64.47 C +ATOM 2810 CD PRO A 351 14.499 3.918 34.387 1.00 63.08 C +ATOM 2811 N PRO A 352 15.451 0.114 36.962 1.00 78.23 N +ATOM 2812 CA PRO A 352 15.587 -1.335 36.748 1.00 82.40 C +ATOM 2813 C PRO A 352 14.296 -2.102 36.457 1.00 85.29 C +ATOM 2814 O PRO A 352 13.193 -1.676 36.804 1.00 84.26 O +ATOM 2815 CB PRO A 352 16.267 -1.821 38.024 1.00 82.74 C +ATOM 2816 CG PRO A 352 15.865 -0.822 39.063 1.00 81.10 C +ATOM 2817 CD PRO A 352 15.725 0.502 38.355 1.00 80.21 C +ATOM 2818 N LEU A 353 14.470 -3.246 35.808 1.00 88.90 N +ATOM 2819 CA LEU A 353 13.362 -4.116 35.440 1.00 93.15 C +ATOM 2820 C LEU A 353 13.270 -5.274 36.429 1.00 96.73 C +ATOM 2821 O LEU A 353 14.070 -6.211 36.364 1.00 98.86 O +ATOM 2822 CB LEU A 353 13.588 -4.683 34.036 1.00 91.46 C +ATOM 2823 CG LEU A 353 13.330 -3.785 32.833 1.00 90.01 C +ATOM 2824 CD1 LEU A 353 14.182 -4.265 31.670 1.00 89.16 C +ATOM 2825 CD2 LEU A 353 11.854 -3.831 32.476 1.00 89.63 C +ATOM 2826 N ASP A 354 12.307 -5.214 37.346 1.00 99.03 N +ATOM 2827 CA ASP A 354 12.137 -6.283 38.330 1.00100.00 C +ATOM 2828 C ASP A 354 10.761 -6.248 39.000 1.00100.00 C +ATOM 2829 O ASP A 354 9.758 -6.464 38.283 1.00100.00 O +ATOM 2830 CB ASP A 354 13.246 -6.209 39.394 1.00100.00 C +ATOM 2831 CG ASP A 354 14.173 -7.419 39.361 1.00100.00 C +ATOM 2832 OD1 ASP A 354 13.745 -8.511 39.795 1.00 99.27 O +ATOM 2833 OD2 ASP A 354 15.329 -7.281 38.903 1.00 99.86 O +TER 2834 ASP A 354 +HETATM 2835 O2 SB2 A 800 -0.940 21.570 27.801 1.00 75.60 O +HETATM 2836 C1 SB2 A 800 1.767 22.346 28.287 1.00 75.48 C +HETATM 2837 S1 SB2 A 800 0.588 21.264 27.403 1.00 75.07 S +HETATM 2838 CA1 SB2 A 800 0.463 17.215 27.773 1.00 66.70 C +HETATM 2839 CA2 SB2 A 800 0.075 18.563 27.590 1.00 69.49 C +HETATM 2840 CA3 SB2 A 800 1.069 19.579 27.613 1.00 71.50 C +HETATM 2841 CA4 SB2 A 800 2.444 19.278 27.802 1.00 68.18 C +HETATM 2842 CA5 SB2 A 800 2.826 17.933 27.981 1.00 66.56 C +HETATM 2843 CA6 SB2 A 800 1.852 16.853 27.972 1.00 63.47 C +HETATM 2844 NB1 SB2 A 800 0.469 9.354 28.905 1.00 51.18 N +HETATM 2845 CB2 SB2 A 800 0.033 10.130 27.884 1.00 51.09 C +HETATM 2846 CB3 SB2 A 800 0.560 11.449 27.685 1.00 51.52 C +HETATM 2847 CB4 SB2 A 800 1.572 11.953 28.598 1.00 54.09 C +HETATM 2848 CB5 SB2 A 800 1.989 11.057 29.683 1.00 52.94 C +HETATM 2849 CB6 SB2 A 800 1.408 9.765 29.789 1.00 51.35 C +HETATM 2850 NC1 SB2 A 800 1.347 14.432 28.206 1.00 55.23 N +HETATM 2851 CC2 SB2 A 800 2.255 15.490 28.183 1.00 57.53 C +HETATM 2852 NC3 SB2 A 800 3.576 15.169 28.381 1.00 52.86 N +HETATM 2853 CC4 SB2 A 800 3.553 13.784 28.563 1.00 52.74 C +HETATM 2854 CC5 SB2 A 800 2.150 13.303 28.479 1.00 53.92 C +HETATM 2855 CD1 SB2 A 800 5.338 13.337 30.169 1.00 50.85 C +HETATM 2856 CD2 SB2 A 800 6.535 12.707 30.543 1.00 52.79 C +HETATM 2857 CD3 SB2 A 800 7.189 11.834 29.638 1.00 51.62 C +HETATM 2858 CD4 SB2 A 800 6.636 11.584 28.339 1.00 49.80 C +HETATM 2859 CD5 SB2 A 800 5.427 12.219 27.960 1.00 49.08 C +HETATM 2860 CD6 SB2 A 800 4.755 13.110 28.880 1.00 51.23 C +HETATM 2861 FD3 SB2 A 800 8.355 11.233 30.035 1.00 53.01 F +HETATM 2862 O HOH A 500 19.052 -0.171 18.445 1.00 38.87 O +HETATM 2863 O HOH A 501 18.188 8.487 11.701 1.00 35.60 O +HETATM 2864 O HOH A 502 7.620 1.478 14.579 1.00 39.34 O +HETATM 2865 O HOH A 503 6.613 16.537 4.078 1.00 48.83 O +HETATM 2866 O HOH A 504 19.414 -1.592 12.490 1.00 40.71 O +HETATM 2867 O HOH A 505 7.125 -3.060 14.228 1.00 29.25 O +HETATM 2868 O HOH A 506 0.651 2.155 19.600 1.00 39.78 O +HETATM 2869 O HOH A 507 11.681 -7.412 24.233 1.00 23.75 O +HETATM 2870 O HOH A 508 6.282 19.766 28.474 1.00 39.10 O +HETATM 2871 O HOH A 509 14.669 14.891 16.076 1.00 34.41 O +HETATM 2872 O HOH A 510 15.270 24.975 20.825 1.00 37.63 O +HETATM 2873 O HOH A 511 20.256 21.932 41.076 1.00 24.85 O +HETATM 2874 O HOH A 512 11.793 9.054 37.295 1.00 22.14 O +HETATM 2875 O HOH A 513 8.065 7.839 39.987 1.00 19.38 O +HETATM 2876 O HOH A 514 9.120 5.735 46.715 1.00 46.24 O +HETATM 2877 O HOH A 515 5.879 5.447 38.151 1.00 64.09 O +HETATM 2878 O HOH A 516 18.783 17.078 18.194 1.00 36.64 O +HETATM 2879 O HOH A 517 -11.978 18.845 36.793 1.00 35.92 O +HETATM 2880 O HOH A 518 -21.268 15.604 35.332 1.00 29.98 O +HETATM 2881 O HOH A 519 -21.367 11.644 50.053 1.00 51.14 O +HETATM 2882 O HOH A 520 -25.555 12.671 46.071 1.00 42.89 O +HETATM 2883 O HOH A 521 -17.812 8.478 52.671 1.00 32.45 O +HETATM 2884 O HOH A 522 -9.134 2.966 55.382 1.00 43.74 O +HETATM 2885 O HOH A 523 6.461 14.884 53.637 1.00 31.44 O +HETATM 2886 O HOH A 524 14.051 9.369 45.461 1.00 24.60 O +HETATM 2887 O HOH A 525 2.759 17.554 53.512 1.00 25.26 O +HETATM 2888 O HOH A 526 -5.078 23.199 41.615 1.00 19.78 O +HETATM 2889 O HOH A 527 -2.250 21.705 44.351 1.00 18.07 O +HETATM 2890 O HOH A 528 -2.766 19.448 33.285 1.00 34.21 O +HETATM 2891 O HOH A 529 0.445 21.325 35.199 1.00 29.60 O +HETATM 2892 O HOH A 530 3.448 14.898 33.455 1.00 32.72 O +HETATM 2893 O HOH A 531 2.591 24.612 35.679 1.00 60.41 O +HETATM 2894 O HOH A 532 -5.853 34.141 33.796 1.00 40.33 O +HETATM 2895 O HOH A 533 -0.944 28.632 34.415 1.00 48.55 O +HETATM 2896 O HOH A 534 -22.247 24.865 39.452 1.00 24.16 O +HETATM 2897 O HOH A 535 -18.710 22.393 37.927 1.00 23.96 O +HETATM 2898 O HOH A 536 -15.958 32.198 32.345 1.00 33.34 O +HETATM 2899 O HOH A 537 -7.390 24.203 40.182 1.00 52.41 O +HETATM 2900 O HOH A 538 -10.499 26.321 46.096 1.00 18.30 O +HETATM 2901 O HOH A 539 -13.342 22.531 44.157 1.00 14.66 O +HETATM 2902 O HOH A 540 -3.699 25.060 46.055 1.00 21.25 O +HETATM 2903 O HOH A 541 -15.126 19.761 38.796 1.00 32.03 O +HETATM 2904 O HOH A 542 0.092 28.758 51.919 1.00 32.17 O +HETATM 2905 O HOH A 543 -13.822 20.051 44.145 1.00 17.22 O +HETATM 2906 O HOH A 544 -18.112 18.613 46.895 1.00 21.52 O +HETATM 2907 O HOH A 545 -22.778 19.379 35.542 1.00 33.25 O +HETATM 2908 O HOH A 546 -26.027 16.411 43.528 1.00 38.08 O +HETATM 2909 O HOH A 547 -21.742 31.058 42.113 1.00 48.42 O +HETATM 2910 O HOH A 548 -20.547 30.553 57.003 1.00 20.28 O +HETATM 2911 O HOH A 549 -10.707 27.436 58.434 1.00 32.64 O +HETATM 2912 O HOH A 550 -13.765 36.418 61.041 1.00 31.09 O +HETATM 2913 O HOH A 551 -14.263 39.367 56.795 1.00 31.57 O +HETATM 2914 O HOH A 552 -15.913 42.694 58.416 1.00 46.60 O +HETATM 2915 O HOH A 553 -17.948 20.726 60.842 1.00 34.65 O +HETATM 2916 O HOH A 554 -22.471 19.169 65.544 1.00 37.46 O +HETATM 2917 O HOH A 555 -20.377 17.810 62.466 1.00 45.89 O +HETATM 2918 O HOH A 556 -23.847 13.496 57.417 1.00 48.50 O +HETATM 2919 O HOH A 557 -22.474 13.761 50.603 1.00 29.63 O +HETATM 2920 O HOH A 558 -15.036 15.564 62.842 1.00 33.78 O +HETATM 2921 O HOH A 559 -6.014 20.394 60.368 1.00 25.79 O +HETATM 2922 O HOH A 560 -2.931 30.801 54.610 1.00 38.84 O +HETATM 2923 O HOH A 561 4.043 15.521 54.638 1.00 20.07 O +HETATM 2924 O HOH A 562 -4.191 5.259 59.062 1.00 39.67 O +HETATM 2925 O HOH A 563 12.640 22.592 40.815 1.00 27.83 O +HETATM 2926 O HOH A 564 24.350 25.690 44.817 1.00 28.44 O +HETATM 2927 O HOH A 565 27.470 21.429 31.718 1.00 32.51 O +HETATM 2928 O HOH A 600 1.879 5.288 12.524 1.00 51.39 O +HETATM 2929 O HOH A 601 12.960 18.354 20.930 1.00 54.26 O +HETATM 2930 O HOH A 602 15.604 9.905 43.623 1.00 31.48 O +HETATM 2931 O HOH A 603 5.115 7.584 50.326 1.00 37.15 O +HETATM 2932 O HOH A 604 6.749 3.522 45.879 1.00 31.02 O +HETATM 2933 O HOH A 605 -21.412 14.190 37.096 1.00 52.59 O +HETATM 2934 O HOH A 606 9.074 23.558 49.738 1.00 39.52 O +HETATM 2935 O HOH A 607 8.738 22.826 44.458 1.00 43.63 O +HETATM 2936 O HOH A 608 -3.363 24.585 43.530 1.00 39.06 O +HETATM 2937 O HOH A 609 -9.342 18.578 36.312 1.00 37.67 O +HETATM 2938 O HOH A 610 -24.486 15.407 45.961 1.00 38.52 O +HETATM 2939 O HOH A 611 -19.406 25.769 46.911 1.00 35.27 O +HETATM 2940 O HOH A 612 -0.326 32.198 63.907 1.00 31.16 O +HETATM 2941 O HOH A 613 -12.202 23.326 58.833 1.00 31.79 O +HETATM 2942 O HOH A 614 -18.825 27.303 63.363 1.00 33.04 O +HETATM 2943 O HOH A 615 -21.663 12.774 58.335 1.00 46.67 O +HETATM 2944 O HOH A 616 -16.986 14.380 62.330 1.00 33.98 O +HETATM 2945 O HOH A 617 -8.278 28.666 59.930 1.00 26.25 O +HETATM 2946 O HOH A 618 -1.039 18.345 64.879 1.00 35.97 O +HETATM 2947 O HOH A 619 17.332 27.456 45.327 1.00 50.78 O +HETATM 2948 O HOH A 620 29.576 20.167 30.518 1.00 46.90 O +HETATM 2949 O HOH A 621 8.563 5.508 38.325 1.00 51.63 O +HETATM 2950 O HOH A 622 -27.327 11.650 44.111 1.00 42.65 O +HETATM 2951 O HOH A 623 -20.099 19.960 64.954 1.00 52.46 O +CONECT 2835 2837 +CONECT 2836 2837 +CONECT 2837 2835 2836 2840 +CONECT 2838 2839 2843 +CONECT 2839 2838 2840 +CONECT 2840 2837 2839 2841 +CONECT 2841 2840 2842 +CONECT 2842 2841 2843 +CONECT 2843 2838 2842 2851 +CONECT 2844 2845 2849 +CONECT 2845 2844 2846 +CONECT 2846 2845 2847 +CONECT 2847 2846 2848 2854 +CONECT 2848 2847 2849 +CONECT 2849 2844 2848 +CONECT 2850 2851 2854 +CONECT 2851 2843 2850 2852 +CONECT 2852 2851 2853 +CONECT 2853 2852 2854 2860 +CONECT 2854 2847 2850 2853 +CONECT 2855 2856 2860 +CONECT 2856 2855 2857 +CONECT 2857 2856 2858 2861 +CONECT 2858 2857 2859 +CONECT 2859 2858 2860 +CONECT 2860 2853 2855 2859 +CONECT 2861 2857 +MASTER 311 0 1 18 9 0 3 6 2950 1 27 30 +END diff --git a/data/targets/prelim_set_mdm2_4hg7/mdm2_4hg7.pdb b/data/targets/prelim_set_mdm2_4hg7/mdm2_4hg7.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f48dbd46fd17a856f7d5cdd32b471ebd413f7567 --- /dev/null +++ b/data/targets/prelim_set_mdm2_4hg7/mdm2_4hg7.pdb @@ -0,0 +1,2303 @@ +HEADER LIGASE 07-OCT-12 4HG7 +TITLE CRYSTAL STRUCTURE OF AN MDM2/NUTLIN-3A COMPLEX +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: E3 UBIQUITIN-PROTEIN LIGASE MDM2; +COMPND 3 CHAIN: A; +COMPND 4 FRAGMENT: P53 BINDING DOMAIN (RESIDUES 17-125); +COMPND 5 SYNONYM: DOUBLE MINUTE 2 PROTEIN, HDM2, ONCOPROTEIN MDM2, P53-BINDING +COMPND 6 PROTEIN MDM2; +COMPND 7 EC: 6.3.2.-; +COMPND 8 ENGINEERED: YES; +COMPND 9 MUTATION: YES +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; +SOURCE 3 ORGANISM_COMMON: HUMAN; +SOURCE 4 ORGANISM_TAXID: 9606; +SOURCE 5 GENE: MDM2; +SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; +SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; +SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3); +SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; +SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PGEX6P1 +KEYWDS MDM2, NUTLIN-3A, SURFACE ENTROPY REDUCTION, MUTANT VALIDATION, LIGASE +EXPDTA X-RAY DIFFRACTION +AUTHOR M.E.M.NOBLE,B.ANIL,C.RIEDINGER,J.A.ENDICOTT +REVDAT 3 28-FEB-24 4HG7 1 REMARK SEQADV +REVDAT 2 21-AUG-13 4HG7 1 JRNL +REVDAT 1 31-JUL-13 4HG7 0 +JRNL AUTH B.ANIL,C.RIEDINGER,J.A.ENDICOTT,M.E.NOBLE +JRNL TITL THE STRUCTURE OF AN MDM2-NUTLIN-3A COMPLEX SOLVED BY THE USE +JRNL TITL 2 OF A VALIDATED MDM2 SURFACE-ENTROPY REDUCTION MUTANT. +JRNL REF ACTA CRYSTALLOGR.,SECT.D V. 69 1358 2013 +JRNL REFN ISSN 0907-4449 +JRNL PMID 23897459 +JRNL DOI 10.1107/S0907444913004459 +REMARK 2 +REMARK 2 RESOLUTION. 1.60 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : REFMAC 5.6.0117 +REMARK 3 AUTHORS : MURSHUDOV,SKUBAK,LEBEDEV,PANNU,STEINER, +REMARK 3 : NICHOLLS,WINN,LONG,VAGIN +REMARK 3 +REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.60 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 30.94 +REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.200 +REMARK 3 COMPLETENESS FOR RANGE (%) : 98.8 +REMARK 3 NUMBER OF REFLECTIONS : 20070 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT +REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM +REMARK 3 R VALUE (WORKING + TEST SET) : 0.176 +REMARK 3 R VALUE (WORKING SET) : 0.173 +REMARK 3 FREE R VALUE : 0.215 +REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 +REMARK 3 FREE R VALUE TEST SET COUNT : 1065 +REMARK 3 +REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. +REMARK 3 TOTAL NUMBER OF BINS USED : 20 +REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.60 +REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.64 +REMARK 3 REFLECTION IN BIN (WORKING SET) : 1299 +REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 98.84 +REMARK 3 BIN R VALUE (WORKING SET) : 0.2360 +REMARK 3 BIN FREE R VALUE SET COUNT : 61 +REMARK 3 BIN FREE R VALUE : 0.3060 +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 744 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 45 +REMARK 3 SOLVENT ATOMS : 97 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : NULL +REMARK 3 MEAN B VALUE (OVERALL, A**2) : 21.61 +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : -0.55000 +REMARK 3 B22 (A**2) : -0.55000 +REMARK 3 B33 (A**2) : 0.83000 +REMARK 3 B12 (A**2) : -0.28000 +REMARK 3 B13 (A**2) : 0.00000 +REMARK 3 B23 (A**2) : 0.00000 +REMARK 3 +REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. +REMARK 3 ESU BASED ON R VALUE (A): 0.081 +REMARK 3 ESU BASED ON FREE R VALUE (A): 0.076 +REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.043 +REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 2.668 +REMARK 3 +REMARK 3 CORRELATION COEFFICIENTS. +REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.955 +REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.934 +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT +REMARK 3 BOND LENGTHS REFINED ATOMS (A): 862 ; 0.014 ; 0.020 +REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL +REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 1181 ; 1.596 ; 2.063 +REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL +REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 108 ; 5.039 ; 5.000 +REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 35 ;41.647 ;24.286 +REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 165 ;12.277 ;15.000 +REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 4 ;16.794 ;15.000 +REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 132 ; 0.085 ; 0.200 +REMARK 3 GENERAL PLANES REFINED ATOMS (A): 646 ; 0.011 ; 0.021 +REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL +REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL +REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL +REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL +REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY VDW REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL +REMARK 3 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT +REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 LONG RANGE B REFINED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 LONG RANGE B OTHER ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 +REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT +REMARK 3 RIGID-BOND RESTRAINTS (A**2): 861 ; 4.481 ; 3.000 +REMARK 3 SPHERICITY; FREE ATOMS (A**2): 47 ;28.475 ; 5.000 +REMARK 3 SPHERICITY; BONDED ATOMS (A**2): 894 ;13.951 ; 5.000 +REMARK 3 +REMARK 3 NCS RESTRAINTS STATISTICS +REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL +REMARK 3 +REMARK 3 TLS DETAILS +REMARK 3 NUMBER OF TLS GROUPS : NULL +REMARK 3 +REMARK 3 BULK SOLVENT MODELLING. +REMARK 3 METHOD USED : MASK +REMARK 3 PARAMETERS FOR MASK CALCULATION +REMARK 3 VDW PROBE RADIUS : 1.20 +REMARK 3 ION PROBE RADIUS : 0.80 +REMARK 3 SHRINKAGE RADIUS : 0.80 +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN USED IF PRESENT IN +REMARK 3 THE INPUT +REMARK 4 +REMARK 4 4HG7 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 12-OCT-12. +REMARK 100 THE DEPOSITION ID IS D_1000075426. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : 26-NOV-10 +REMARK 200 TEMPERATURE (KELVIN) : 298 +REMARK 200 PH : 5.6 +REMARK 200 NUMBER OF CRYSTALS USED : 1 +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : Y +REMARK 200 RADIATION SOURCE : ESRF +REMARK 200 BEAMLINE : ID23-2 +REMARK 200 X-RAY GENERATOR MODEL : NULL +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 0.8726 +REMARK 200 MONOCHROMATOR : SI 111 CHANNEL +REMARK 200 OPTICS : NULL +REMARK 200 +REMARK 200 DETECTOR TYPE : CCD +REMARK 200 DETECTOR MANUFACTURER : MARMOSAIC 225 MM CCD +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS +REMARK 200 DATA SCALING SOFTWARE : XDS, SCALA +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 21274 +REMARK 200 RESOLUTION RANGE HIGH (A) : 1.600 +REMARK 200 RESOLUTION RANGE LOW (A) : 33.790 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 2.000 +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 99.5 +REMARK 200 DATA REDUNDANCY : NULL +REMARK 200 R MERGE (I) : NULL +REMARK 200 R SYM (I) : NULL +REMARK 200 FOR THE DATA SET : NULL +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.60 +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.69 +REMARK 200 COMPLETENESS FOR SHELL (%) : 99.5 +REMARK 200 DATA REDUNDANCY IN SHELL : NULL +REMARK 200 R MERGE FOR SHELL (I) : NULL +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 FOR SHELL : NULL +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT +REMARK 200 SOFTWARE USED: PHASER +REMARK 200 STARTING MODEL: NULL +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 64.50 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.46 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: 0.5 M AMMONIUM SULFATE, 0.1 M SODIUM +REMARK 280 CITRATE, 1.0 M LITHIUM SULFATE, PH 5.6, VAPOR DIFFUSION, SITTING +REMARK 280 DROP, TEMPERATURE 277K +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 65 2 2 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -Y,X-Y,Z+2/3 +REMARK 290 3555 -X+Y,-X,Z+1/3 +REMARK 290 4555 -X,-Y,Z+1/2 +REMARK 290 5555 Y,-X+Y,Z+1/6 +REMARK 290 6555 X-Y,X,Z+5/6 +REMARK 290 7555 Y,X,-Z+2/3 +REMARK 290 8555 X-Y,-Y,-Z +REMARK 290 9555 -X,-X+Y,-Z+1/3 +REMARK 290 10555 -Y,-X,-Z+1/6 +REMARK 290 11555 -X+Y,Y,-Z+1/2 +REMARK 290 12555 X,X-Y,-Z+5/6 +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 69.46933 +REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 34.73467 +REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 52.10200 +REMARK 290 SMTRY1 5 0.500000 0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 5 -0.866025 0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 17.36733 +REMARK 290 SMTRY1 6 0.500000 -0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 6 0.866025 0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 86.83667 +REMARK 290 SMTRY1 7 -0.500000 0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 7 0.866025 0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 69.46933 +REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 SMTRY1 9 -0.500000 -0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 9 -0.866025 0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 9 0.000000 0.000000 -1.000000 34.73467 +REMARK 290 SMTRY1 10 0.500000 -0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 10 -0.866025 -0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 10 0.000000 0.000000 -1.000000 17.36733 +REMARK 290 SMTRY1 11 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 11 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 11 0.000000 0.000000 -1.000000 52.10200 +REMARK 290 SMTRY1 12 0.500000 0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 12 0.866025 -0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 12 0.000000 0.000000 -1.000000 86.83667 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1, 2 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 +REMARK 350 BIOMOLECULE: 2 +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 1170 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 10140 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -9.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 BIOMT1 2 0.500000 0.866025 0.000000 -35.72500 +REMARK 350 BIOMT2 2 0.866025 -0.500000 0.000000 61.87752 +REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 -17.36733 +REMARK 465 +REMARK 465 MISSING RESIDUES +REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE +REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) +REMARK 465 +REMARK 465 M RES C SSSEQI +REMARK 465 GLY A 12 +REMARK 465 PRO A 13 +REMARK 465 LEU A 14 +REMARK 465 GLY A 15 +REMARK 465 SER A 16 +REMARK 465 SER A 17 +REMARK 800 +REMARK 800 SITE +REMARK 800 SITE_IDENTIFIER: AC1 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NUT A 201 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC2 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 202 +REMARK 900 +REMARK 900 RELATED ENTRIES +REMARK 900 RELATED ID: 4HFZ RELATED DB: PDB +REMARK 900 STRUCTURE SOLVED USING THE SAME SURFACE MUTATIONS OF THE SAME +REMARK 900 CONSTRUCT +DBREF 4HG7 A 17 108 UNP Q00987 MDM2_HUMAN 17 108 +SEQADV 4HG7 GLY A 12 UNP Q00987 EXPRESSION TAG +SEQADV 4HG7 PRO A 13 UNP Q00987 EXPRESSION TAG +SEQADV 4HG7 LEU A 14 UNP Q00987 EXPRESSION TAG +SEQADV 4HG7 GLY A 15 UNP Q00987 EXPRESSION TAG +SEQADV 4HG7 SER A 16 UNP Q00987 EXPRESSION TAG +SEQADV 4HG7 ALA A 69 UNP Q00987 GLU 69 ENGINEERED MUTATION +SEQADV 4HG7 ALA A 70 UNP Q00987 LYS 70 ENGINEERED MUTATION +SEQRES 1 A 97 GLY PRO LEU GLY SER SER GLN ILE PRO ALA SER GLU GLN +SEQRES 2 A 97 GLU THR LEU VAL ARG PRO LYS PRO LEU LEU LEU LYS LEU +SEQRES 3 A 97 LEU LYS SER VAL GLY ALA GLN LYS ASP THR TYR THR MET +SEQRES 4 A 97 LYS GLU VAL LEU PHE TYR LEU GLY GLN TYR ILE MET THR +SEQRES 5 A 97 LYS ARG LEU TYR ASP ALA ALA GLN GLN HIS ILE VAL TYR +SEQRES 6 A 97 CYS SER ASN ASP LEU LEU GLY ASP LEU PHE GLY VAL PRO +SEQRES 7 A 97 SER PHE SER VAL LYS GLU HIS ARG LYS ILE TYR THR MET +SEQRES 8 A 97 ILE TYR ARG ASN LEU VAL +HET NUT A 201 40 +HET SO4 A 202 5 +HETNAM NUT 4-({(4S,5R)-4,5-BIS(4-CHLOROPHENYL)-2-[4-METHOXY-2- +HETNAM 2 NUT (PROPAN-2-YLOXY)PHENYL]-4,5-DIHYDRO-1H-IMIDAZOL-1- +HETNAM 3 NUT YL}CARBONYL)PIPERAZIN-2-ONE +HETNAM SO4 SULFATE ION +HETSYN NUT NUTLIN 3A +FORMUL 2 NUT C30 H30 CL2 N4 O4 +FORMUL 3 SO4 O4 S 2- +FORMUL 4 HOH *97(H2 O) +HELIX 1 1 PRO A 20 GLU A 25 1 6 +HELIX 2 2 LYS A 31 VAL A 41 1 11 +HELIX 3 3 MET A 50 LYS A 64 1 15 +HELIX 4 4 ASP A 80 GLY A 87 1 8 +HELIX 5 5 GLU A 95 ARG A 105 1 11 +SHEET 1 A 2 LEU A 27 VAL A 28 0 +SHEET 2 A 2 TYR A 48 THR A 49 -1 O TYR A 48 N VAL A 28 +SHEET 1 B 2 ILE A 74 TYR A 76 0 +SHEET 2 B 2 SER A 90 SER A 92 -1 O PHE A 91 N VAL A 75 +SITE 1 AC1 14 PRO A 32 LEU A 54 LEU A 57 GLY A 58 +SITE 2 AC1 14 ILE A 61 MET A 62 GLN A 72 HIS A 73 +SITE 3 AC1 14 VAL A 93 HIS A 96 SO4 A 202 HOH A 307 +SITE 4 AC1 14 HOH A 327 HOH A 338 +SITE 1 AC2 9 LYS A 31 GLN A 71 GLN A 72 HIS A 73 +SITE 2 AC2 9 NUT A 201 HOH A 320 HOH A 324 HOH A 331 +SITE 3 AC2 9 HOH A 347 +CRYST1 71.450 71.450 104.204 90.00 90.00 120.00 P 65 2 2 12 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.013996 0.008080 0.000000 0.00000 +SCALE2 0.000000 0.016161 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.009597 0.00000 +ATOM 1 N GLN A 18 -33.251 16.116 -16.144 1.00 26.63 N +ANISOU 1 N GLN A 18 4640 2822 2656 -316 -1400 183 N +ATOM 2 CA GLN A 18 -33.744 16.395 -14.779 1.00 22.76 C +ANISOU 2 CA GLN A 18 3338 2405 2903 -275 -1288 305 C +ATOM 3 C GLN A 18 -33.202 17.722 -14.291 1.00 22.08 C +ANISOU 3 C GLN A 18 2621 2319 3449 -200 -497 -1 C +ATOM 4 O GLN A 18 -33.766 18.329 -13.368 1.00 24.13 O +ANISOU 4 O GLN A 18 2690 2483 3994 -237 -356 -205 O +ATOM 5 CB GLN A 18 -33.223 15.314 -13.819 1.00 21.88 C +ANISOU 5 CB GLN A 18 3432 1792 3088 -340 -1412 170 C +ATOM 6 CG GLN A 18 -33.750 13.922 -14.126 1.00 22.46 C +ANISOU 6 CG GLN A 18 3459 2103 2971 -580 -1541 -52 C +ATOM 7 CD GLN A 18 -33.207 12.844 -13.217 1.00 25.20 C +ANISOU 7 CD GLN A 18 3273 3187 3115 454 -1263 -53 C +ATOM 8 OE1 GLN A 18 -32.919 11.702 -13.662 1.00 29.66 O +ANISOU 8 OE1 GLN A 18 3349 3370 4550 232 -747 -698 O +ATOM 9 NE2 GLN A 18 -33.110 13.159 -11.948 1.00 17.15 N +ANISOU 9 NE2 GLN A 18 1933 1583 2999 -115 -781 -35 N +ATOM 10 N ILE A 19 -32.048 18.114 -14.839 1.00 17.77 N +ANISOU 10 N ILE A 19 2530 1935 2285 -338 -734 207 N +ATOM 11 CA ILE A 19 -31.388 19.371 -14.398 1.00 15.09 C +ANISOU 11 CA ILE A 19 2131 1737 1863 74 -659 62 C +ATOM 12 C ILE A 19 -31.360 20.363 -15.568 1.00 15.53 C +ANISOU 12 C ILE A 19 2361 1674 1864 182 -752 47 C +ATOM 13 O ILE A 19 -30.874 20.015 -16.645 1.00 17.20 O +ANISOU 13 O ILE A 19 2406 2015 2113 362 -660 -123 O +ATOM 14 CB ILE A 19 -29.940 19.163 -13.897 1.00 14.39 C +ANISOU 14 CB ILE A 19 2047 1801 1618 329 -410 228 C +ATOM 15 CG1 ILE A 19 -29.853 18.064 -12.782 1.00 12.77 C +ANISOU 15 CG1 ILE A 19 1935 1683 1231 127 -401 18 C +ATOM 16 CG2 ILE A 19 -29.332 20.499 -13.400 1.00 16.71 C +ANISOU 16 CG2 ILE A 19 1954 2286 2110 227 -202 -216 C +ATOM 17 CD1 ILE A 19 -30.565 18.411 -11.459 1.00 14.95 C +ANISOU 17 CD1 ILE A 19 2162 1975 1541 37 -134 -328 C +ATOM 18 N PRO A 20 -31.850 21.618 -15.350 1.00 15.79 N +ANISOU 18 N PRO A 20 2330 1730 1938 260 -608 14 N +ATOM 19 CA PRO A 20 -31.833 22.555 -16.472 1.00 16.93 C +ANISOU 19 CA PRO A 20 2676 1398 2358 320 -866 -67 C +ATOM 20 C PRO A 20 -30.406 22.832 -17.002 1.00 16.79 C +ANISOU 20 C PRO A 20 2548 1866 1964 138 -1057 145 C +ATOM 21 O PRO A 20 -29.440 22.933 -16.233 1.00 14.85 O +ANISOU 21 O PRO A 20 2305 1747 1591 299 -940 112 O +ATOM 22 CB PRO A 20 -32.480 23.840 -15.887 1.00 18.84 C +ANISOU 22 CB PRO A 20 2717 1295 3145 420 -428 91 C +ATOM 23 CG PRO A 20 -33.228 23.392 -14.660 1.00 21.77 C +ANISOU 23 CG PRO A 20 3463 2238 2569 951 -776 325 C +ATOM 24 CD PRO A 20 -32.571 22.141 -14.171 1.00 17.00 C +ANISOU 24 CD PRO A 20 2395 1895 2169 578 -544 157 C +ATOM 25 N ALA A 21 -30.285 22.997 -18.307 1.00 18.79 N +ANISOU 25 N ALA A 21 2905 2213 2022 250 -396 -137 N +ATOM 26 CA ALA A 21 -28.996 23.235 -18.942 1.00 18.45 C +ANISOU 26 CA ALA A 21 2932 2470 1605 -75 -384 67 C +ATOM 27 C ALA A 21 -28.269 24.431 -18.361 1.00 16.30 C +ANISOU 27 C ALA A 21 2630 1811 1750 274 -555 348 C +ATOM 28 O ALA A 21 -27.044 24.367 -18.157 1.00 17.22 O +ANISOU 28 O ALA A 21 2657 2174 1712 398 -620 64 O +ATOM 29 CB ALA A 21 -29.182 23.417 -20.449 1.00 21.78 C +ANISOU 29 CB ALA A 21 3815 2638 1820 308 -1291 -25 C +ATOM 30 N SER A 22 -28.998 25.516 -18.059 1.00 15.80 N +ANISOU 30 N SER A 22 2616 1886 1500 210 -835 148 N +ATOM 31 CA ASER A 22 -28.345 26.723 -17.527 0.80 15.69 C +ANISOU 31 CA ASER A 22 2635 1811 1516 415 -676 -30 C +ATOM 32 CA BSER A 22 -28.340 26.708 -17.516 0.20 15.19 C +ANISOU 32 CA BSER A 22 2460 1748 1563 299 -655 159 C +ATOM 33 C SER A 22 -27.637 26.438 -16.184 1.00 14.66 C +ANISOU 33 C SER A 22 2235 1760 1573 186 -587 265 C +ATOM 34 O SER A 22 -26.570 26.985 -15.905 1.00 15.22 O +ANISOU 34 O SER A 22 2118 1875 1790 210 -331 80 O +ATOM 35 CB ASER A 22 -29.349 27.885 -17.393 0.80 18.00 C +ANISOU 35 CB ASER A 22 2303 2321 2215 657 -523 449 C +ATOM 36 CB BSER A 22 -29.339 27.848 -17.370 0.20 15.24 C +ANISOU 36 CB BSER A 22 2316 1870 1603 397 -782 534 C +ATOM 37 OG ASER A 22 -30.358 27.609 -16.431 0.80 19.75 O +ANISOU 37 OG ASER A 22 2193 2306 3005 85 -402 427 O +ATOM 38 OG BSER A 22 -29.824 28.215 -18.642 0.20 15.16 O +ANISOU 38 OG BSER A 22 2227 1701 1831 446 -923 671 O +ATOM 39 N GLU A 23 -28.238 25.588 -15.365 1.00 13.27 N +ANISOU 39 N GLU A 23 2096 1531 1415 257 -548 46 N +ATOM 40 CA GLU A 23 -27.706 25.250 -14.063 1.00 11.57 C +ANISOU 40 CA GLU A 23 1771 1462 1163 353 -149 43 C +ATOM 41 C GLU A 23 -26.448 24.374 -14.226 1.00 12.43 C +ANISOU 41 C GLU A 23 1836 1591 1293 464 -281 -52 C +ATOM 42 O GLU A 23 -25.468 24.556 -13.499 1.00 14.56 O +ANISOU 42 O GLU A 23 1996 1841 1695 306 -436 240 O +ATOM 43 CB GLU A 23 -28.777 24.514 -13.238 1.00 12.59 C +ANISOU 43 CB GLU A 23 1860 1612 1309 214 -341 235 C +ATOM 44 CG GLU A 23 -28.287 24.177 -11.848 1.00 12.34 C +ANISOU 44 CG GLU A 23 1650 1493 1543 353 -578 286 C +ATOM 45 CD GLU A 23 -29.328 23.506 -10.983 1.00 13.98 C +ANISOU 45 CD GLU A 23 1851 1683 1775 365 -351 197 C +ATOM 46 OE1 GLU A 23 -30.501 23.358 -11.410 1.00 13.47 O +ANISOU 46 OE1 GLU A 23 1999 1782 1336 288 -445 222 O +ATOM 47 OE2 GLU A 23 -28.941 23.116 -9.853 1.00 13.93 O +ANISOU 47 OE2 GLU A 23 2487 1486 1320 427 -150 -209 O +ATOM 48 N GLN A 24 -26.479 23.471 -15.221 1.00 12.50 N +ANISOU 48 N GLN A 24 1584 1550 1615 226 -493 -215 N +ATOM 49 CA GLN A 24 -25.328 22.600 -15.501 1.00 13.66 C +ANISOU 49 CA GLN A 24 1791 1652 1745 283 -194 -182 C +ATOM 50 C GLN A 24 -24.129 23.416 -15.972 1.00 14.42 C +ANISOU 50 C GLN A 24 2127 1758 1593 247 -210 325 C +ATOM 51 O GLN A 24 -22.978 23.016 -15.766 1.00 15.26 O +ANISOU 51 O GLN A 24 2034 2152 1609 90 -218 204 O +ATOM 52 CB GLN A 24 -25.670 21.566 -16.587 1.00 14.10 C +ANISOU 52 CB GLN A 24 1895 1713 1747 132 25 -311 C +ATOM 53 CG GLN A 24 -26.841 20.662 -16.210 1.00 14.46 C +ANISOU 53 CG GLN A 24 2188 1596 1710 -162 -226 -61 C +ATOM 54 CD GLN A 24 -27.020 19.503 -17.177 1.00 18.58 C +ANISOU 54 CD GLN A 24 2896 2075 2085 -166 -348 -473 C +ATOM 55 OE1 GLN A 24 -26.041 18.835 -17.539 1.00 22.28 O +ANISOU 55 OE1 GLN A 24 3360 2345 2757 335 -464 -571 O +ATOM 56 NE2 GLN A 24 -28.266 19.248 -17.603 1.00 19.87 N +ANISOU 56 NE2 GLN A 24 3143 2237 2169 121 -820 -43 N +ATOM 57 N GLU A 25 -24.411 24.544 -16.624 1.00 14.67 N +ANISOU 57 N GLU A 25 2350 1814 1406 126 -397 307 N +ATOM 58 CA AGLU A 25 -23.328 25.316 -17.231 0.50 15.24 C +ANISOU 58 CA AGLU A 25 2618 1938 1233 143 -283 578 C +ATOM 59 CA BGLU A 25 -23.390 25.367 -17.271 0.50 15.29 C +ANISOU 59 CA BGLU A 25 2542 1946 1320 149 -363 555 C +ATOM 60 C GLU A 25 -22.832 26.463 -16.361 1.00 14.84 C +ANISOU 60 C GLU A 25 2312 1986 1338 370 -461 433 C +ATOM 61 O GLU A 25 -22.020 27.266 -16.793 1.00 21.60 O +ANISOU 61 O GLU A 25 3235 2514 2457 -118 -166 453 O +ATOM 62 CB AGLU A 25 -23.710 25.812 -18.634 0.50 16.61 C +ANISOU 62 CB AGLU A 25 2822 2281 1206 470 -336 474 C +ATOM 63 CB BGLU A 25 -23.934 25.982 -18.586 0.50 17.56 C +ANISOU 63 CB BGLU A 25 2931 2446 1291 58 -572 535 C +ATOM 64 CG AGLU A 25 -23.992 24.696 -19.628 0.50 22.33 C +ANISOU 64 CG AGLU A 25 3403 2803 2278 208 -378 -214 C +ATOM 65 CG BGLU A 25 -24.340 24.954 -19.636 0.50 21.22 C +ANISOU 65 CG BGLU A 25 3052 3438 1572 220 -1391 130 C +ATOM 66 CD AGLU A 25 -22.764 23.851 -19.922 0.50 21.72 C +ANISOU 66 CD AGLU A 25 3929 3237 1087 746 -361 -13 C +ATOM 67 CD BGLU A 25 -25.021 25.525 -20.879 0.50 26.01 C +ANISOU 67 CD BGLU A 25 3651 3640 2591 1145 -1344 203 C +ATOM 68 OE1AGLU A 25 -22.915 22.672 -20.297 0.50 30.23 O +ANISOU 68 OE1AGLU A 25 5597 3249 2639 543 -127 -348 O +ATOM 69 OE1BGLU A 25 -25.758 26.538 -20.824 0.50 27.52 O +ANISOU 69 OE1BGLU A 25 3838 3314 3304 1529 -879 1017 O +ATOM 70 OE2AGLU A 25 -21.642 24.363 -19.781 0.50 25.51 O +ANISOU 70 OE2AGLU A 25 3740 3979 1971 983 -71 -74 O +ATOM 71 OE2BGLU A 25 -24.842 24.920 -21.950 0.50 39.48 O +ANISOU 71 OE2BGLU A 25 5766 5705 3530 283 55 -1047 O +ATOM 72 N THR A 26 -23.281 26.509 -15.104 1.00 14.27 N +ANISOU 72 N THR A 26 2117 1823 1480 364 -543 171 N +ATOM 73 CA THR A 26 -22.842 27.558 -14.172 1.00 15.62 C +ANISOU 73 CA THR A 26 2160 1926 1849 165 -569 51 C +ATOM 74 C THR A 26 -21.462 27.224 -13.603 1.00 15.85 C +ANISOU 74 C THR A 26 2243 2018 1759 139 -516 219 C +ATOM 75 O THR A 26 -21.225 26.077 -13.205 1.00 15.10 O +ANISOU 75 O THR A 26 2039 1641 2057 -38 -339 96 O +ATOM 76 CB THR A 26 -23.883 27.687 -13.037 1.00 16.30 C +ANISOU 76 CB THR A 26 2216 2042 1934 271 -461 -87 C +ATOM 77 OG1 THR A 26 -25.091 28.192 -13.629 1.00 21.42 O +ANISOU 77 OG1 THR A 26 2551 2646 2940 360 -1031 -377 O +ATOM 78 CG2 THR A 26 -23.447 28.670 -11.975 1.00 17.75 C +ANISOU 78 CG2 THR A 26 2486 2193 2063 -226 -285 66 C +ATOM 79 N LEU A 27 -20.570 28.218 -13.588 1.00 15.17 N +ANISOU 79 N LEU A 27 1898 2232 1631 55 -479 130 N +ATOM 80 CA LEU A 27 -19.212 28.063 -13.030 1.00 14.25 C +ANISOU 80 CA LEU A 27 1936 1711 1766 -65 -482 578 C +ATOM 81 C LEU A 27 -19.252 28.024 -11.506 1.00 15.15 C +ANISOU 81 C LEU A 27 2201 1738 1815 125 -550 272 C +ATOM 82 O LEU A 27 -19.839 28.918 -10.873 1.00 15.64 O +ANISOU 82 O LEU A 27 2210 2017 1713 235 -442 373 O +ATOM 83 CB LEU A 27 -18.283 29.193 -13.512 1.00 16.16 C +ANISOU 83 CB LEU A 27 2037 1993 2108 -167 -296 672 C +ATOM 84 CG LEU A 27 -16.777 28.995 -13.263 1.00 19.41 C +ANISOU 84 CG LEU A 27 2214 2139 3022 -159 -394 315 C +ATOM 85 CD1 LEU A 27 -16.222 27.959 -14.241 1.00 21.37 C +ANISOU 85 CD1 LEU A 27 2366 2303 3450 634 -154 453 C +ATOM 86 CD2 LEU A 27 -16.050 30.325 -13.415 1.00 23.69 C +ANISOU 86 CD2 LEU A 27 2612 2629 3757 -541 -142 519 C +ATOM 87 N VAL A 28 -18.608 27.015 -10.910 1.00 14.49 N +ANISOU 87 N VAL A 28 2193 1493 1819 -160 -563 307 N +ATOM 88 CA VAL A 28 -18.543 26.887 -9.458 1.00 15.32 C +ANISOU 88 CA VAL A 28 2067 1758 1995 -378 -533 532 C +ATOM 89 C VAL A 28 -17.112 26.638 -8.995 1.00 15.78 C +ANISOU 89 C VAL A 28 2190 1754 2051 -188 -661 175 C +ATOM 90 O VAL A 28 -16.222 26.321 -9.811 1.00 15.89 O +ANISOU 90 O VAL A 28 2005 1809 2223 -39 -551 473 O +ATOM 91 CB VAL A 28 -19.461 25.735 -8.965 1.00 13.82 C +ANISOU 91 CB VAL A 28 1736 1714 1801 -136 -424 610 C +ATOM 92 CG1 VAL A 28 -20.934 26.068 -9.313 1.00 17.35 C +ANISOU 92 CG1 VAL A 28 1859 2517 2217 -24 -698 671 C +ATOM 93 CG2 VAL A 28 -19.030 24.400 -9.592 1.00 16.56 C +ANISOU 93 CG2 VAL A 28 2329 1725 2235 -434 -474 463 C +ATOM 94 N ARG A 29 -16.904 26.762 -7.682 1.00 14.38 N +ANISOU 94 N ARG A 29 1823 1628 2010 3 -704 634 N +ATOM 95 CA ARG A 29 -15.579 26.613 -7.073 1.00 13.71 C +ANISOU 95 CA ARG A 29 1776 1240 2191 -167 -843 241 C +ATOM 96 C ARG A 29 -15.649 25.531 -6.029 1.00 13.63 C +ANISOU 96 C ARG A 29 1898 1374 1907 -253 -739 126 C +ATOM 97 O ARG A 29 -16.136 25.779 -4.930 1.00 14.66 O +ANISOU 97 O ARG A 29 2062 1520 1988 -218 -721 148 O +ATOM 98 CB ARG A 29 -15.109 27.923 -6.425 1.00 15.65 C +ANISOU 98 CB ARG A 29 1991 1406 2549 -729 -476 307 C +ATOM 99 CG ARG A 29 -13.683 27.868 -5.884 1.00 21.97 C +ANISOU 99 CG ARG A 29 2555 2305 3487 -539 -1276 224 C +ATOM 100 CD ARG A 29 -13.241 29.194 -5.290 1.00 27.46 C +ANISOU 100 CD ARG A 29 4330 2716 3385 -1549 -757 368 C +ATOM 101 NE ARG A 29 -13.150 30.249 -6.290 1.00 32.40 N +ANISOU 101 NE ARG A 29 5718 2374 4216 -1757 -892 456 N +ATOM 102 CZ ARG A 29 -12.098 30.469 -7.085 1.00 38.59 C +ANISOU 102 CZ ARG A 29 6046 3877 4736 -601 -243 1252 C +ATOM 103 NH1 ARG A 29 -11.008 29.687 -7.031 1.00 33.71 N +ANISOU 103 NH1 ARG A 29 4592 3489 4725 -1999 -448 706 N +ATOM 104 NH2 ARG A 29 -12.143 31.485 -7.941 1.00 32.09 N +ANISOU 104 NH2 ARG A 29 4541 3571 4077 -343 -1348 885 N +ATOM 105 N PRO A 30 -15.181 24.316 -6.348 1.00 13.07 N +ANISOU 105 N PRO A 30 1693 1467 1805 -115 -663 269 N +ATOM 106 CA PRO A 30 -15.167 23.263 -5.294 1.00 13.18 C +ANISOU 106 CA PRO A 30 1905 1272 1828 43 -843 239 C +ATOM 107 C PRO A 30 -14.380 23.676 -4.026 1.00 14.69 C +ANISOU 107 C PRO A 30 2222 1502 1854 -115 -915 298 C +ATOM 108 O PRO A 30 -13.327 24.342 -4.121 1.00 16.92 O +ANISOU 108 O PRO A 30 2160 2071 2196 -149 -807 82 O +ATOM 109 CB PRO A 30 -14.405 22.110 -5.977 1.00 13.49 C +ANISOU 109 CB PRO A 30 2277 1242 1605 115 -788 235 C +ATOM 110 CG PRO A 30 -14.762 22.288 -7.456 1.00 15.77 C +ANISOU 110 CG PRO A 30 2552 1571 1867 -69 -942 969 C +ATOM 111 CD PRO A 30 -14.720 23.808 -7.660 1.00 14.98 C +ANISOU 111 CD PRO A 30 2158 1416 2117 118 -322 321 C +ATOM 112 N LYS A 31 -14.847 23.256 -2.852 1.00 14.59 N +ANISOU 112 N LYS A 31 2113 1686 1741 -220 -994 216 N +ATOM 113 CA LYS A 31 -13.977 23.335 -1.654 1.00 13.86 C +ANISOU 113 CA LYS A 31 1899 1465 1899 -226 -993 85 C +ATOM 114 C LYS A 31 -12.770 22.350 -1.863 1.00 15.59 C +ANISOU 114 C LYS A 31 1973 1674 2275 -103 -1118 -140 C +ATOM 115 O LYS A 31 -12.827 21.470 -2.737 1.00 14.44 O +ANISOU 115 O LYS A 31 2139 1438 1909 56 -1123 47 O +ATOM 116 CB LYS A 31 -14.767 22.947 -0.377 1.00 14.58 C +ANISOU 116 CB LYS A 31 2468 1600 1472 211 -811 -37 C +ATOM 117 CG LYS A 31 -15.923 23.899 -0.039 1.00 17.58 C +ANISOU 117 CG LYS A 31 2326 2106 2245 454 -848 231 C +ATOM 118 CD LYS A 31 -16.698 23.330 1.174 1.00 18.03 C +ANISOU 118 CD LYS A 31 2601 2157 2089 601 -574 207 C +ATOM 119 CE LYS A 31 -17.917 24.171 1.536 1.00 22.36 C +ANISOU 119 CE LYS A 31 3021 3146 2329 825 -362 294 C +ATOM 120 NZ LYS A 31 -18.520 23.621 2.790 1.00 22.36 N +ANISOU 120 NZ LYS A 31 2599 3744 2152 -38 -839 429 N +ATOM 121 N PRO A 32 -11.689 22.496 -1.083 1.00 14.00 N +ANISOU 121 N PRO A 32 1862 1556 1900 -232 -933 80 N +ATOM 122 CA PRO A 32 -10.471 21.711 -1.373 1.00 14.88 C +ANISOU 122 CA PRO A 32 1762 1640 2249 -417 -1129 215 C +ATOM 123 C PRO A 32 -10.620 20.195 -1.342 1.00 15.12 C +ANISOU 123 C PRO A 32 1852 1578 2312 -122 -1028 396 C +ATOM 124 O PRO A 32 -9.906 19.527 -2.091 1.00 17.98 O +ANISOU 124 O PRO A 32 2099 1665 3066 -161 -977 28 O +ATOM 125 CB PRO A 32 -9.494 22.178 -0.287 1.00 16.13 C +ANISOU 125 CB PRO A 32 1937 1600 2588 -449 -1406 239 C +ATOM 126 CG PRO A 32 -9.899 23.610 -0.065 1.00 17.20 C +ANISOU 126 CG PRO A 32 1719 1826 2989 -200 -948 225 C +ATOM 127 CD PRO A 32 -11.432 23.532 -0.055 1.00 15.96 C +ANISOU 127 CD PRO A 32 1743 1545 2777 -552 -1099 -268 C +ATOM 128 N LEU A 33 -11.503 19.630 -0.497 1.00 14.16 N +ANISOU 128 N LEU A 33 1915 1290 2174 -271 -979 276 N +ATOM 129 CA LEU A 33 -11.629 18.164 -0.491 1.00 13.71 C +ANISOU 129 CA LEU A 33 1711 1414 2082 -517 -791 161 C +ATOM 130 C LEU A 33 -12.263 17.635 -1.782 1.00 13.85 C +ANISOU 130 C LEU A 33 1784 1416 2061 -122 -976 240 C +ATOM 131 O LEU A 33 -11.824 16.615 -2.303 1.00 15.54 O +ANISOU 131 O LEU A 33 1737 1665 2499 255 -1029 10 O +ATOM 132 CB LEU A 33 -12.380 17.667 0.750 1.00 15.11 C +ANISOU 132 CB LEU A 33 2073 1711 1957 -291 -689 444 C +ATOM 133 CG LEU A 33 -11.661 17.938 2.072 1.00 16.99 C +ANISOU 133 CG LEU A 33 2367 2149 1939 -247 -782 576 C +ATOM 134 CD1 LEU A 33 -12.505 17.536 3.265 1.00 19.43 C +ANISOU 134 CD1 LEU A 33 2345 2353 2681 -697 -340 630 C +ATOM 135 CD2 LEU A 33 -10.289 17.279 2.121 1.00 19.80 C +ANISOU 135 CD2 LEU A 33 2364 2755 2402 -149 -1062 685 C +ATOM 136 N LEU A 34 -13.298 18.296 -2.281 1.00 13.66 N +ANISOU 136 N LEU A 34 1632 1634 1924 -361 -1154 212 N +ATOM 137 CA LEU A 34 -13.846 17.888 -3.563 1.00 12.93 C +ANISOU 137 CA LEU A 34 1544 1714 1653 -21 -876 108 C +ATOM 138 C LEU A 34 -12.805 18.134 -4.651 1.00 13.48 C +ANISOU 138 C LEU A 34 1558 1570 1992 -24 -789 169 C +ATOM 139 O LEU A 34 -12.677 17.308 -5.588 1.00 15.20 O +ANISOU 139 O LEU A 34 1795 1697 2282 150 -909 -9 O +ATOM 140 CB LEU A 34 -15.147 18.621 -3.880 1.00 13.60 C +ANISOU 140 CB LEU A 34 1946 1479 1742 162 -1097 227 C +ATOM 141 CG LEU A 34 -15.764 18.385 -5.268 1.00 13.33 C +ANISOU 141 CG LEU A 34 1680 1486 1896 55 -997 -316 C +ATOM 142 CD1 LEU A 34 -16.003 16.885 -5.555 1.00 14.65 C +ANISOU 142 CD1 LEU A 34 1914 1564 2088 117 -737 -679 C +ATOM 143 CD2 LEU A 34 -17.067 19.162 -5.437 1.00 16.29 C +ANISOU 143 CD2 LEU A 34 1920 1803 2465 397 -889 -370 C +ATOM 144 N LEU A 35 -12.069 19.248 -4.547 1.00 13.80 N +ANISOU 144 N LEU A 35 1435 1689 2119 -103 -567 363 N +ATOM 145 CA LEU A 35 -11.061 19.550 -5.571 1.00 15.22 C +ANISOU 145 CA LEU A 35 1952 1599 2230 -314 -248 256 C +ATOM 146 C LEU A 35 -10.012 18.424 -5.630 1.00 18.01 C +ANISOU 146 C LEU A 35 2072 2112 2656 -33 -718 335 C +ATOM 147 O LEU A 35 -9.621 18.009 -6.726 1.00 18.84 O +ANISOU 147 O LEU A 35 2100 2397 2659 -395 -300 149 O +ATOM 148 CB LEU A 35 -10.383 20.916 -5.327 1.00 19.62 C +ANISOU 148 CB LEU A 35 2628 2088 2737 -945 -457 154 C +ATOM 149 CG LEU A 35 -9.569 21.462 -6.513 1.00 22.63 C +ANISOU 149 CG LEU A 35 3041 2287 3271 -659 -305 572 C +ATOM 150 CD1 LEU A 35 -10.470 21.765 -7.700 1.00 25.75 C +ANISOU 150 CD1 LEU A 35 3898 2736 3148 -501 -527 692 C +ATOM 151 CD2 LEU A 35 -8.857 22.738 -6.081 1.00 27.69 C +ANISOU 151 CD2 LEU A 35 3380 2700 4438 -1402 -848 1134 C +ATOM 152 N LYS A 36 -9.569 17.940 -4.466 1.00 16.70 N +ANISOU 152 N LYS A 36 1767 2022 2555 -77 -745 375 N +ATOM 153 CA LYS A 36 -8.657 16.773 -4.362 1.00 18.01 C +ANISOU 153 CA LYS A 36 1842 2309 2689 238 -900 206 C +ATOM 154 C LYS A 36 -9.157 15.574 -5.186 1.00 18.81 C +ANISOU 154 C LYS A 36 1797 2192 3155 180 -493 90 C +ATOM 155 O LYS A 36 -8.394 14.946 -5.935 1.00 20.68 O +ANISOU 155 O LYS A 36 2061 3126 2670 638 -557 132 O +ATOM 156 CB LYS A 36 -8.448 16.347 -2.887 1.00 18.31 C +ANISOU 156 CB LYS A 36 1599 2682 2675 389 -979 318 C +ATOM 157 CG LYS A 36 -7.600 15.068 -2.671 1.00 27.44 C +ANISOU 157 CG LYS A 36 3756 3162 3505 1229 -1132 820 C +ATOM 158 CD LYS A 36 -7.466 14.629 -1.183 1.00 26.47 C +ANISOU 158 CD LYS A 36 4085 2674 3297 1594 -1208 432 C +ATOM 159 CE LYS A 36 -6.844 13.245 -0.985 1.00 39.07 C +ANISOU 159 CE LYS A 36 5595 4054 5196 2852 -1446 -288 C +ATOM 160 NZ LYS A 36 -5.442 13.217 -1.459 1.00 52.34 N +ANISOU 160 NZ LYS A 36 6093 6940 6853 3225 139 262 N +ATOM 161 N LEU A 37 -10.435 15.248 -4.996 1.00 16.56 N +ANISOU 161 N LEU A 37 1776 2153 2362 234 -667 87 N +ATOM 162 CA ALEU A 37 -11.074 14.181 -5.722 0.80 16.88 C +ANISOU 162 CA ALEU A 37 1831 1934 2648 -14 -398 235 C +ATOM 163 CA BLEU A 37 -11.110 14.185 -5.745 0.20 16.62 C +ANISOU 163 CA BLEU A 37 1799 1959 2556 176 -500 142 C +ATOM 164 C LEU A 37 -10.994 14.398 -7.244 1.00 15.74 C +ANISOU 164 C LEU A 37 1624 1776 2579 410 -458 276 C +ATOM 165 O LEU A 37 -10.601 13.485 -8.004 1.00 19.03 O +ANISOU 165 O LEU A 37 2199 1965 3065 613 -96 124 O +ATOM 166 CB ALEU A 37 -12.517 14.074 -5.247 0.80 18.13 C +ANISOU 166 CB ALEU A 37 1970 2398 2519 334 -185 597 C +ATOM 167 CB BLEU A 37 -12.597 14.123 -5.389 0.20 17.04 C +ANISOU 167 CB BLEU A 37 1866 2205 2402 261 -397 220 C +ATOM 168 CG ALEU A 37 -13.303 12.825 -5.576 0.80 17.96 C +ANISOU 168 CG ALEU A 37 2511 1716 2595 809 -188 178 C +ATOM 169 CG BLEU A 37 -13.025 13.500 -4.072 0.20 17.30 C +ANISOU 169 CG BLEU A 37 2257 1997 2317 341 -390 115 C +ATOM 170 CD1ALEU A 37 -14.388 12.587 -4.514 0.80 21.75 C +ANISOU 170 CD1ALEU A 37 2453 2454 3353 -180 88 444 C +ATOM 171 CD1BLEU A 37 -14.530 13.288 -4.075 0.20 16.85 C +ANISOU 171 CD1BLEU A 37 2218 2209 1975 447 69 -123 C +ATOM 172 CD2ALEU A 37 -13.907 12.941 -6.965 0.80 18.88 C +ANISOU 172 CD2ALEU A 37 1945 2082 3143 855 -633 -19 C +ATOM 173 CD2BLEU A 37 -12.296 12.182 -3.898 0.20 17.49 C +ANISOU 173 CD2BLEU A 37 1993 1921 2730 271 -543 -70 C +ATOM 174 N LEU A 38 -11.366 15.583 -7.699 1.00 14.85 N +ANISOU 174 N LEU A 38 1563 1690 2387 118 -377 288 N +ATOM 175 CA LEU A 38 -11.334 15.871 -9.128 1.00 15.76 C +ANISOU 175 CA LEU A 38 1852 1779 2357 625 -83 332 C +ATOM 176 C LEU A 38 -9.913 15.810 -9.692 1.00 17.86 C +ANISOU 176 C LEU A 38 1736 2358 2690 269 -238 464 C +ATOM 177 O LEU A 38 -9.712 15.249 -10.771 1.00 19.22 O +ANISOU 177 O LEU A 38 2253 2563 2487 376 -146 245 O +ATOM 178 CB LEU A 38 -11.965 17.248 -9.413 1.00 17.36 C +ANISOU 178 CB LEU A 38 2438 1870 2286 779 -170 323 C +ATOM 179 CG LEU A 38 -13.399 17.427 -8.890 1.00 19.92 C +ANISOU 179 CG LEU A 38 2042 1979 3544 591 -579 -8 C +ATOM 180 CD1 LEU A 38 -13.897 18.828 -9.233 1.00 21.77 C +ANISOU 180 CD1 LEU A 38 2939 2158 3172 522 -1159 404 C +ATOM 181 CD2 LEU A 38 -14.403 16.354 -9.330 1.00 21.39 C +ANISOU 181 CD2 LEU A 38 2251 2679 3194 261 -545 -43 C +ATOM 182 N LYS A 39 -8.941 16.369 -8.958 1.00 17.27 N +ANISOU 182 N LYS A 39 1581 2306 2674 156 -43 373 N +ATOM 183 CA ALYS A 39 -7.535 16.370 -9.384 0.80 20.32 C +ANISOU 183 CA ALYS A 39 1440 2772 3506 495 -174 261 C +ATOM 184 CA BLYS A 39 -7.542 16.372 -9.384 0.20 19.02 C +ANISOU 184 CA BLYS A 39 1580 2574 3072 188 -14 383 C +ATOM 185 C LYS A 39 -7.005 14.948 -9.502 1.00 20.77 C +ANISOU 185 C LYS A 39 1914 2602 3373 333 143 357 C +ATOM 186 O LYS A 39 -6.138 14.674 -10.339 1.00 22.91 O +ANISOU 186 O LYS A 39 2043 3079 3581 432 259 210 O +ATOM 187 CB ALYS A 39 -6.664 17.118 -8.365 0.80 27.22 C +ANISOU 187 CB ALYS A 39 2285 3428 4626 -285 -185 -341 C +ATOM 188 CB BLYS A 39 -6.683 17.175 -8.399 0.20 22.26 C +ANISOU 188 CB BLYS A 39 1994 3168 3295 -426 -18 381 C +ATOM 189 CG ALYS A 39 -6.998 18.593 -8.197 0.80 35.34 C +ANISOU 189 CG ALYS A 39 3461 3801 6167 -15 679 -1196 C +ATOM 190 CG BLYS A 39 -6.841 18.687 -8.504 0.20 16.46 C +ANISOU 190 CG BLYS A 39 1947 2806 1499 -1308 515 897 C +ATOM 191 CD ALYS A 39 -6.122 19.481 -9.058 0.80 46.73 C +ANISOU 191 CD ALYS A 39 4811 5447 7497 -572 819 -31 C +ATOM 192 CD BLYS A 39 -5.676 19.332 -9.235 0.20 24.97 C +ANISOU 192 CD BLYS A 39 2380 5093 2014 -1995 41 1153 C +ATOM 193 CE ALYS A 39 -6.504 20.944 -8.911 0.80 50.95 C +ANISOU 193 CE ALYS A 39 5353 5818 8184 -311 -309 -1517 C +ATOM 194 CE BLYS A 39 -5.863 20.837 -9.350 0.20 32.23 C +ANISOU 194 CE BLYS A 39 3810 4860 3573 -391 -551 914 C +ATOM 195 NZ ALYS A 39 -5.934 21.539 -7.673 0.80 45.67 N +ANISOU 195 NZ ALYS A 39 4217 5853 7283 2315 -1128 -828 N +ATOM 196 NZ BLYS A 39 -7.231 21.202 -9.814 0.20 27.20 N +ANISOU 196 NZ BLYS A 39 4825 2698 2808 -90 -1194 1608 N +ATOM 197 N SER A 40 -7.510 14.045 -8.650 1.00 20.31 N +ANISOU 197 N SER A 40 2050 2341 3323 140 -514 432 N +ATOM 198 CA SER A 40 -7.035 12.661 -8.650 1.00 20.43 C +ANISOU 198 CA SER A 40 2383 2350 3031 379 222 402 C +ATOM 199 C SER A 40 -7.358 11.925 -9.970 1.00 21.56 C +ANISOU 199 C SER A 40 2307 2703 3182 991 99 -57 C +ATOM 200 O SER A 40 -6.747 10.895 -10.276 1.00 26.02 O +ANISOU 200 O SER A 40 2461 3246 4179 1445 863 112 O +ATOM 201 CB SER A 40 -7.577 11.860 -7.450 1.00 21.29 C +ANISOU 201 CB SER A 40 2237 2438 3414 635 92 1087 C +ATOM 202 OG SER A 40 -8.902 11.408 -7.660 1.00 22.40 O +ANISOU 202 OG SER A 40 2618 2577 3313 534 -4 481 O +ATOM 203 N VAL A 41 -8.320 12.450 -10.729 1.00 20.85 N +ANISOU 203 N VAL A 41 2360 3066 2493 256 72 457 N +ATOM 204 CA VAL A 41 -8.633 11.890 -12.054 1.00 22.32 C +ANISOU 204 CA VAL A 41 2144 3185 3151 63 -201 -32 C +ATOM 205 C VAL A 41 -8.337 12.882 -13.186 1.00 25.13 C +ANISOU 205 C VAL A 41 2499 3581 3466 305 -201 220 C +ATOM 206 O VAL A 41 -8.910 12.814 -14.273 1.00 29.35 O +ANISOU 206 O VAL A 41 3330 4044 3775 -2 -700 -206 O +ATOM 207 CB VAL A 41 -10.066 11.325 -12.141 1.00 20.54 C +ANISOU 207 CB VAL A 41 2322 2422 3058 -163 330 -92 C +ATOM 208 CG1 VAL A 41 -10.173 10.030 -11.340 1.00 21.52 C +ANISOU 208 CG1 VAL A 41 1818 2620 3736 -204 654 265 C +ATOM 209 CG2 VAL A 41 -11.087 12.354 -11.688 1.00 23.39 C +ANISOU 209 CG2 VAL A 41 1924 3372 3588 126 -3 -196 C +ATOM 210 N GLY A 42 -7.410 13.792 -12.921 1.00 22.53 N +ANISOU 210 N GLY A 42 2489 2776 3293 465 444 101 N +ATOM 211 CA GLY A 42 -6.778 14.567 -13.977 1.00 26.78 C +ANISOU 211 CA GLY A 42 3437 3456 3280 434 182 797 C +ATOM 212 C GLY A 42 -7.330 15.966 -14.175 1.00 28.06 C +ANISOU 212 C GLY A 42 2937 3446 4275 442 983 535 C +ATOM 213 O GLY A 42 -6.894 16.683 -15.081 1.00 29.01 O +ANISOU 213 O GLY A 42 3508 4133 3378 649 1013 604 O +ATOM 214 N ALA A 43 -8.254 16.396 -13.328 1.00 22.63 N +ANISOU 214 N ALA A 43 2120 3158 3320 131 393 766 N +ATOM 215 CA ALA A 43 -8.718 17.778 -13.451 1.00 26.76 C +ANISOU 215 CA ALA A 43 2737 3161 4268 193 656 756 C +ATOM 216 C ALA A 43 -7.592 18.747 -13.070 1.00 31.60 C +ANISOU 216 C ALA A 43 3305 4195 4504 -193 -148 985 C +ATOM 217 O ALA A 43 -6.753 18.439 -12.215 1.00 34.55 O +ANISOU 217 O ALA A 43 3433 5076 4615 -664 -544 732 O +ATOM 218 CB ALA A 43 -9.971 18.001 -12.625 1.00 24.13 C +ANISOU 218 CB ALA A 43 2563 2942 3662 357 421 895 C +ATOM 219 N GLN A 44 -7.539 19.900 -13.722 1.00 29.02 N +ANISOU 219 N GLN A 44 2507 3463 5054 275 1068 469 N +ATOM 220 CA GLN A 44 -6.370 20.783 -13.560 1.00 36.59 C +ANISOU 220 CA GLN A 44 3982 4096 5821 -670 1429 -273 C +ATOM 221 C GLN A 44 -6.634 22.220 -13.106 1.00 38.50 C +ANISOU 221 C GLN A 44 3455 3678 7494 213 323 287 C +ATOM 222 O GLN A 44 -5.698 23.010 -12.995 1.00 49.02 O +ANISOU 222 O GLN A 44 3009 5657 9957 -236 145 408 O +ATOM 223 CB GLN A 44 -5.545 20.792 -14.848 1.00 41.85 C +ANISOU 223 CB GLN A 44 4356 5111 6431 -2 2037 642 C +ATOM 224 CG GLN A 44 -4.759 19.512 -15.064 1.00 44.13 C +ANISOU 224 CG GLN A 44 4714 5952 6101 306 1851 -252 C +ATOM 225 CD GLN A 44 -3.743 19.664 -16.160 1.00 36.81 C +ANISOU 225 CD GLN A 44 4008 5994 3984 978 487 -134 C +ATOM 226 OE1 GLN A 44 -4.096 19.773 -17.343 1.00 50.75 O +ANISOU 226 OE1 GLN A 44 7044 8120 4117 -126 -15 1012 O +ATOM 227 NE2 GLN A 44 -2.467 19.680 -15.781 1.00 47.46 N +ANISOU 227 NE2 GLN A 44 4246 6085 7699 -356 17 -545 N +ATOM 228 N LYS A 45 -7.889 22.552 -12.833 1.00 33.17 N +ANISOU 228 N LYS A 45 3195 4080 5327 -271 588 410 N +ATOM 229 CA LYS A 45 -8.305 23.942 -12.588 1.00 29.68 C +ANISOU 229 CA LYS A 45 2900 3965 4409 -455 301 758 C +ATOM 230 C LYS A 45 -8.889 24.065 -11.184 1.00 28.42 C +ANISOU 230 C LYS A 45 2999 3346 4452 -210 230 786 C +ATOM 231 O LYS A 45 -9.115 23.053 -10.528 1.00 24.06 O +ANISOU 231 O LYS A 45 2254 3049 3838 78 -356 762 O +ATOM 232 CB LYS A 45 -9.380 24.342 -13.600 1.00 36.24 C +ANISOU 232 CB LYS A 45 4538 4767 4461 -115 295 2205 C +ATOM 233 CG LYS A 45 -8.996 24.188 -15.069 1.00 47.61 C +ANISOU 233 CG LYS A 45 6243 6848 4998 1015 -54 566 C +ATOM 234 CD LYS A 45 -10.193 24.471 -15.969 1.00 47.58 C +ANISOU 234 CD LYS A 45 7347 7074 3656 241 -824 -640 C +ATOM 235 CE LYS A 45 -11.296 23.436 -15.778 1.00 54.67 C +ANISOU 235 CE LYS A 45 7562 7231 5976 165 -901 -494 C +ATOM 236 NZ LYS A 45 -12.624 23.910 -16.255 1.00 53.09 N +ANISOU 236 NZ LYS A 45 6576 4874 8722 -368 692 905 N +ATOM 237 N ASP A 46 -9.156 25.298 -10.746 1.00 22.74 N +ANISOU 237 N ASP A 46 1776 3451 3410 -403 -182 290 N +ATOM 238 CA ASP A 46 -9.816 25.549 -9.469 1.00 22.20 C +ANISOU 238 CA ASP A 46 2133 2657 3643 -225 -304 331 C +ATOM 239 C ASP A 46 -11.323 25.763 -9.624 1.00 20.26 C +ANISOU 239 C ASP A 46 2049 2865 2781 -447 -609 1194 C +ATOM 240 O ASP A 46 -12.053 25.720 -8.632 1.00 21.43 O +ANISOU 240 O ASP A 46 2362 2615 3162 -634 -373 693 O +ATOM 241 CB ASP A 46 -9.221 26.800 -8.802 1.00 27.42 C +ANISOU 241 CB ASP A 46 2734 3165 4518 -862 -834 210 C +ATOM 242 CG ASP A 46 -7.786 26.592 -8.336 1.00 34.01 C +ANISOU 242 CG ASP A 46 2796 3390 6734 -470 -997 586 C +ATOM 243 OD1 ASP A 46 -7.444 25.474 -7.892 1.00 33.09 O +ANISOU 243 OD1 ASP A 46 2422 4588 5560 -202 -960 1587 O +ATOM 244 OD2 ASP A 46 -6.996 27.557 -8.405 1.00 43.70 O +ANISOU 244 OD2 ASP A 46 2779 5750 8072 -1718 -842 543 O +ATOM 245 N THR A 47 -11.781 26.071 -10.845 1.00 17.73 N +ANISOU 245 N THR A 47 1742 2510 2484 -311 -506 399 N +ATOM 246 CA THR A 47 -13.216 26.316 -11.078 1.00 15.76 C +ANISOU 246 CA THR A 47 1837 1811 2339 -328 -658 380 C +ATOM 247 C THR A 47 -13.683 25.483 -12.252 1.00 17.16 C +ANISOU 247 C THR A 47 2073 2099 2347 -338 -509 369 C +ATOM 248 O THR A 47 -12.905 25.234 -13.162 1.00 20.22 O +ANISOU 248 O THR A 47 2311 2482 2888 -44 129 712 O +ATOM 249 CB THR A 47 -13.522 27.801 -11.344 1.00 18.68 C +ANISOU 249 CB THR A 47 2611 1950 2534 -221 -480 689 C +ATOM 250 OG1 THR A 47 -12.814 28.268 -12.496 1.00 23.64 O +ANISOU 250 OG1 THR A 47 2992 2440 3548 -763 -141 946 O +ATOM 251 CG2 THR A 47 -13.095 28.643 -10.135 1.00 23.97 C +ANISOU 251 CG2 THR A 47 3695 2819 2591 -355 -900 357 C +ATOM 252 N TYR A 48 -14.947 25.046 -12.211 1.00 16.31 N +ANISOU 252 N TYR A 48 2019 1892 2283 -427 -676 537 N +ATOM 253 CA TYR A 48 -15.509 24.142 -13.216 1.00 15.12 C +ANISOU 253 CA TYR A 48 1959 1816 1969 133 -724 419 C +ATOM 254 C TYR A 48 -16.980 24.461 -13.392 1.00 14.39 C +ANISOU 254 C TYR A 48 1876 1721 1869 189 -464 463 C +ATOM 255 O TYR A 48 -17.618 24.954 -12.456 1.00 17.68 O +ANISOU 255 O TYR A 48 2049 2311 2356 206 -388 100 O +ATOM 256 CB TYR A 48 -15.462 22.705 -12.691 1.00 17.93 C +ANISOU 256 CB TYR A 48 2177 1753 2881 112 -524 375 C +ATOM 257 CG TYR A 48 -14.063 22.223 -12.426 1.00 22.80 C +ANISOU 257 CG TYR A 48 2134 2752 3777 21 -673 441 C +ATOM 258 CD1 TYR A 48 -13.458 22.436 -11.166 1.00 21.36 C +ANISOU 258 CD1 TYR A 48 2250 2451 3414 -255 -501 981 C +ATOM 259 CD2 TYR A 48 -13.331 21.600 -13.410 1.00 26.80 C +ANISOU 259 CD2 TYR A 48 1981 3103 5099 -4 -311 -116 C +ATOM 260 CE1 TYR A 48 -12.182 22.003 -10.899 1.00 24.00 C +ANISOU 260 CE1 TYR A 48 2320 2684 4114 -104 -444 505 C +ATOM 261 CE2 TYR A 48 -12.018 21.160 -13.152 1.00 27.16 C +ANISOU 261 CE2 TYR A 48 2566 3311 4440 697 -803 311 C +ATOM 262 CZ TYR A 48 -11.459 21.369 -11.909 1.00 25.51 C +ANISOU 262 CZ TYR A 48 2449 2766 4478 56 -283 82 C +ATOM 263 OH TYR A 48 -10.179 20.943 -11.641 1.00 28.46 O +ANISOU 263 OH TYR A 48 2644 4340 3829 503 -197 483 O +ATOM 264 N THR A 49 -17.571 24.105 -14.525 1.00 14.72 N +ANISOU 264 N THR A 49 1839 1746 2006 162 -531 486 N +ATOM 265 CA THR A 49 -19.054 24.098 -14.542 1.00 14.61 C +ANISOU 265 CA THR A 49 1886 2042 1623 245 -312 484 C +ATOM 266 C THR A 49 -19.559 22.870 -13.769 1.00 14.96 C +ANISOU 266 C THR A 49 2029 1780 1872 184 -301 331 C +ATOM 267 O THR A 49 -18.813 21.881 -13.564 1.00 14.38 O +ANISOU 267 O THR A 49 1777 1828 1858 228 -429 68 O +ATOM 268 CB THR A 49 -19.609 24.015 -15.960 1.00 17.21 C +ANISOU 268 CB THR A 49 2829 2054 1655 101 -511 274 C +ATOM 269 OG1 THR A 49 -19.184 22.772 -16.543 1.00 16.36 O +ANISOU 269 OG1 THR A 49 2464 2055 1697 70 -237 317 O +ATOM 270 CG2 THR A 49 -19.132 25.216 -16.808 1.00 21.46 C +ANISOU 270 CG2 THR A 49 2948 2580 2622 -113 -424 841 C +ATOM 271 N MET A 50 -20.827 22.893 -13.358 1.00 14.11 N +ANISOU 271 N MET A 50 2028 1920 1413 148 -364 342 N +ATOM 272 CA MET A 50 -21.381 21.712 -12.683 1.00 13.67 C +ANISOU 272 CA MET A 50 1897 1723 1571 9 -221 155 C +ATOM 273 C MET A 50 -21.291 20.468 -13.595 1.00 13.47 C +ANISOU 273 C MET A 50 1948 1716 1450 21 -341 193 C +ATOM 274 O MET A 50 -20.989 19.353 -13.127 1.00 14.75 O +ANISOU 274 O MET A 50 1818 1992 1793 323 -204 300 O +ATOM 275 CB MET A 50 -22.835 21.950 -12.203 1.00 15.30 C +ANISOU 275 CB MET A 50 1864 2217 1729 519 -489 -293 C +ATOM 276 CG MET A 50 -22.918 22.827 -10.954 1.00 18.31 C +ANISOU 276 CG MET A 50 2820 2453 1683 199 -544 -322 C +ATOM 277 SD MET A 50 -22.226 22.016 -9.473 1.00 19.54 S +ANISOU 277 SD MET A 50 2305 3052 2067 -629 -613 277 S +ATOM 278 CE MET A 50 -23.601 20.990 -8.957 1.00 17.17 C +ANISOU 278 CE MET A 50 1958 2319 2245 -435 -652 127 C +ATOM 279 N LYS A 51 -21.540 20.653 -14.902 1.00 14.69 N +ANISOU 279 N LYS A 51 2101 2075 1404 98 -272 -40 N +ATOM 280 CA ALYS A 51 -21.438 19.548 -15.839 0.50 15.78 C +ANISOU 280 CA ALYS A 51 2495 2051 1447 303 -191 -24 C +ATOM 281 CA BLYS A 51 -21.430 19.558 -15.856 0.50 16.14 C +ANISOU 281 CA BLYS A 51 2525 2066 1538 332 -203 -69 C +ATOM 282 C LYS A 51 -20.030 18.919 -15.810 1.00 16.15 C +ANISOU 282 C LYS A 51 2310 1996 1830 72 -569 36 C +ATOM 283 O LYS A 51 -19.888 17.686 -15.854 1.00 15.66 O +ANISOU 283 O LYS A 51 2458 1912 1578 119 0 276 O +ATOM 284 CB ALYS A 51 -21.839 19.987 -17.256 0.50 17.96 C +ANISOU 284 CB ALYS A 51 3086 2147 1590 413 -463 11 C +ATOM 285 CB BLYS A 51 -21.786 20.025 -17.279 0.50 19.05 C +ANISOU 285 CB BLYS A 51 3297 2220 1719 407 -590 -23 C +ATOM 286 CG ALYS A 51 -22.098 18.826 -18.209 0.50 20.04 C +ANISOU 286 CG ALYS A 51 3239 2627 1746 179 -534 -207 C +ATOM 287 CG BLYS A 51 -21.732 18.915 -18.324 0.50 22.99 C +ANISOU 287 CG BLYS A 51 3790 2664 2278 463 -561 -473 C +ATOM 288 CD ALYS A 51 -22.588 19.321 -19.564 0.50 25.57 C +ANISOU 288 CD ALYS A 51 3420 4305 1989 119 -1138 -130 C +ATOM 289 CD BLYS A 51 -22.379 19.328 -19.639 0.50 30.62 C +ANISOU 289 CD BLYS A 51 4244 4696 2692 -28 -1334 -320 C +ATOM 290 CE ALYS A 51 -22.693 18.168 -20.541 0.50 31.73 C +ANISOU 290 CE ALYS A 51 4733 4145 3178 265 -1168 -447 C +ATOM 291 CE BLYS A 51 -22.190 18.235 -20.677 0.50 39.41 C +ANISOU 291 CE BLYS A 51 5773 5032 4167 20 -1349 -1117 C +ATOM 292 NZ ALYS A 51 -23.177 18.626 -21.871 0.50 31.08 N +ANISOU 292 NZ ALYS A 51 4608 3958 3241 726 -1177 -399 N +ATOM 293 NZ BLYS A 51 -22.549 16.895 -20.131 0.50 40.66 N +ANISOU 293 NZ BLYS A 51 5817 4672 4959 160 -569 -1281 N +ATOM 294 N GLU A 52 -18.987 19.758 -15.755 1.00 14.80 N +ANISOU 294 N GLU A 52 1974 2066 1583 182 -212 71 N +ATOM 295 CA GLU A 52 -17.600 19.258 -15.634 1.00 16.60 C +ANISOU 295 CA GLU A 52 2109 2284 1915 119 -18 383 C +ATOM 296 C GLU A 52 -17.376 18.531 -14.312 1.00 14.00 C +ANISOU 296 C GLU A 52 1902 1900 1517 120 -160 -48 C +ATOM 297 O GLU A 52 -16.707 17.493 -14.271 1.00 14.90 O +ANISOU 297 O GLU A 52 2244 1903 1511 218 -126 429 O +ATOM 298 CB GLU A 52 -16.591 20.404 -15.804 1.00 16.15 C +ANISOU 298 CB GLU A 52 2405 2137 1591 -23 287 413 C +ATOM 299 CG GLU A 52 -16.484 20.903 -17.229 1.00 20.95 C +ANISOU 299 CG GLU A 52 3135 2901 1924 156 582 919 C +ATOM 300 CD GLU A 52 -15.692 22.195 -17.368 1.00 26.18 C +ANISOU 300 CD GLU A 52 4001 3361 2585 -498 970 347 C +ATOM 301 OE1 GLU A 52 -15.714 23.017 -16.441 1.00 23.79 O +ANISOU 301 OE1 GLU A 52 3655 3024 2360 -556 449 599 O +ATOM 302 OE2 GLU A 52 -15.068 22.409 -18.436 0.50 27.20 O +ANISOU 302 OE2 GLU A 52 4138 3198 2995 -1739 1307 450 O +ATOM 303 N VAL A 53 -17.917 19.079 -13.210 1.00 13.20 N +ANISOU 303 N VAL A 53 1951 1894 1169 29 -207 182 N +ATOM 304 CA VAL A 53 -17.792 18.386 -11.901 1.00 12.43 C +ANISOU 304 CA VAL A 53 1826 1557 1339 152 -193 259 C +ATOM 305 C VAL A 53 -18.381 16.981 -11.992 1.00 12.23 C +ANISOU 305 C VAL A 53 1700 1714 1233 159 -353 141 C +ATOM 306 O VAL A 53 -17.753 16.006 -11.556 1.00 13.36 O +ANISOU 306 O VAL A 53 1866 1557 1650 248 -288 160 O +ATOM 307 CB VAL A 53 -18.443 19.191 -10.752 1.00 12.85 C +ANISOU 307 CB VAL A 53 2051 1348 1481 45 -96 314 C +ATOM 308 CG1 VAL A 53 -18.390 18.383 -9.469 1.00 13.15 C +ANISOU 308 CG1 VAL A 53 1605 1885 1505 182 -370 521 C +ATOM 309 CG2 VAL A 53 -17.706 20.522 -10.552 1.00 13.54 C +ANISOU 309 CG2 VAL A 53 1692 1489 1963 33 -124 -81 C +ATOM 310 N LEU A 54 -19.561 16.862 -12.612 1.00 12.17 N +ANISOU 310 N LEU A 54 1592 1691 1341 -144 -318 79 N +ATOM 311 CA LEU A 54 -20.178 15.536 -12.774 1.00 14.04 C +ANISOU 311 CA LEU A 54 1779 1835 1721 -60 -571 -263 C +ATOM 312 C LEU A 54 -19.363 14.610 -13.652 1.00 15.18 C +ANISOU 312 C LEU A 54 1971 1911 1885 91 -147 132 C +ATOM 313 O LEU A 54 -19.278 13.405 -13.373 1.00 16.02 O +ANISOU 313 O LEU A 54 2276 1731 2078 368 -572 -14 O +ATOM 314 CB LEU A 54 -21.606 15.693 -13.328 1.00 13.90 C +ANISOU 314 CB LEU A 54 1752 1856 1670 118 -519 221 C +ATOM 315 CG LEU A 54 -22.710 15.828 -12.277 1.00 14.83 C +ANISOU 315 CG LEU A 54 2440 1458 1733 -285 -30 -34 C +ATOM 316 CD1 LEU A 54 -22.787 14.614 -11.326 1.00 14.86 C +ANISOU 316 CD1 LEU A 54 2395 1606 1643 -167 -473 49 C +ATOM 317 CD2 LEU A 54 -22.487 17.114 -11.509 1.00 15.87 C +ANISOU 317 CD2 LEU A 54 2592 1486 1950 -163 16 -106 C +ATOM 318 N PHE A 55 -18.751 15.157 -14.712 1.00 15.46 N +ANISOU 318 N PHE A 55 2096 1931 1847 113 -132 145 N +ATOM 319 CA PHE A 55 -17.897 14.332 -15.573 1.00 15.52 C +ANISOU 319 CA PHE A 55 1828 2242 1826 111 -23 283 C +ATOM 320 C PHE A 55 -16.752 13.736 -14.759 1.00 16.22 C +ANISOU 320 C PHE A 55 2347 2005 1811 246 -344 -47 C +ATOM 321 O PHE A 55 -16.466 12.540 -14.820 1.00 18.75 O +ANISOU 321 O PHE A 55 2960 2153 2010 691 -353 234 O +ATOM 322 CB PHE A 55 -17.333 15.181 -16.707 1.00 17.06 C +ANISOU 322 CB PHE A 55 2378 2438 1666 263 181 196 C +ATOM 323 CG PHE A 55 -16.285 14.473 -17.502 1.00 21.18 C +ANISOU 323 CG PHE A 55 2933 3096 2017 847 222 -44 C +ATOM 324 CD1 PHE A 55 -16.650 13.545 -18.469 1.00 26.81 C +ANISOU 324 CD1 PHE A 55 4191 3190 2803 1062 -4 -261 C +ATOM 325 CD2 PHE A 55 -14.929 14.681 -17.228 1.00 22.41 C +ANISOU 325 CD2 PHE A 55 2958 3211 2345 594 259 457 C +ATOM 326 CE1 PHE A 55 -15.678 12.859 -19.186 1.00 29.79 C +ANISOU 326 CE1 PHE A 55 4320 3688 3310 1197 416 -295 C +ATOM 327 CE2 PHE A 55 -13.957 13.997 -17.933 1.00 27.78 C +ANISOU 327 CE2 PHE A 55 3775 3297 3483 857 72 -428 C +ATOM 328 CZ PHE A 55 -14.335 13.094 -18.922 1.00 32.42 C +ANISOU 328 CZ PHE A 55 4527 4330 3459 984 756 -1250 C +ATOM 329 N TYR A 56 -16.064 14.580 -14.009 1.00 14.56 N +ANISOU 329 N TYR A 56 2028 2087 1415 223 -338 10 N +ATOM 330 CA TYR A 56 -14.920 14.060 -13.228 1.00 16.29 C +ANISOU 330 CA TYR A 56 2032 2074 2083 1 -461 183 C +ATOM 331 C TYR A 56 -15.326 13.149 -12.075 1.00 16.29 C +ANISOU 331 C TYR A 56 2257 1846 2084 392 -163 51 C +ATOM 332 O TYR A 56 -14.615 12.185 -11.784 1.00 15.02 O +ANISOU 332 O TYR A 56 1969 1535 2201 219 141 185 O +ATOM 333 CB TYR A 56 -14.063 15.216 -12.730 1.00 16.34 C +ANISOU 333 CB TYR A 56 2024 2124 2061 -256 -124 251 C +ATOM 334 CG TYR A 56 -13.246 15.850 -13.847 1.00 19.35 C +ANISOU 334 CG TYR A 56 2283 2439 2630 -105 409 448 C +ATOM 335 CD1 TYR A 56 -12.200 15.154 -14.457 1.00 23.33 C +ANISOU 335 CD1 TYR A 56 2833 2864 3165 348 433 113 C +ATOM 336 CD2 TYR A 56 -13.506 17.160 -14.268 1.00 18.97 C +ANISOU 336 CD2 TYR A 56 2538 2251 2416 -404 71 391 C +ATOM 337 CE1 TYR A 56 -11.438 15.739 -15.466 1.00 26.23 C +ANISOU 337 CE1 TYR A 56 2883 3579 3502 179 553 109 C +ATOM 338 CE2 TYR A 56 -12.759 17.741 -15.284 1.00 24.67 C +ANISOU 338 CE2 TYR A 56 3133 3561 2680 -149 785 302 C +ATOM 339 CZ TYR A 56 -11.732 17.026 -15.874 1.00 28.60 C +ANISOU 339 CZ TYR A 56 3486 3827 3551 -169 1143 576 C +ATOM 340 OH TYR A 56 -11.005 17.631 -16.859 1.00 33.24 O +ANISOU 340 OH TYR A 56 3913 4345 4370 -276 1504 1118 O +ATOM 341 N LEU A 57 -16.448 13.446 -11.411 1.00 13.76 N +ANISOU 341 N LEU A 57 1938 1701 1590 71 -292 78 N +ATOM 342 CA ALEU A 57 -16.943 12.529 -10.365 0.80 13.84 C +ANISOU 342 CA ALEU A 57 2047 1508 1702 288 43 -12 C +ATOM 343 CA BLEU A 57 -16.987 12.565 -10.385 0.20 13.71 C +ANISOU 343 CA BLEU A 57 1990 1575 1642 256 -93 21 C +ATOM 344 C LEU A 57 -17.272 11.197 -11.002 1.00 13.42 C +ANISOU 344 C LEU A 57 1963 1569 1567 472 -176 -21 C +ATOM 345 O LEU A 57 -16.991 10.183 -10.428 1.00 13.47 O +ANISOU 345 O LEU A 57 1899 1587 1629 403 -104 49 O +ATOM 346 CB ALEU A 57 -18.195 13.045 -9.658 0.80 16.48 C +ANISOU 346 CB ALEU A 57 1849 2163 2247 217 27 -291 C +ATOM 347 CB BLEU A 57 -18.270 13.164 -9.812 0.20 14.24 C +ANISOU 347 CB BLEU A 57 1966 1703 1741 196 -57 -48 C +ATOM 348 CG ALEU A 57 -18.016 14.137 -8.621 0.80 14.32 C +ANISOU 348 CG ALEU A 57 1431 2086 1920 222 -246 -67 C +ATOM 349 CG BLEU A 57 -18.811 12.546 -8.530 0.20 13.28 C +ANISOU 349 CG BLEU A 57 2009 1306 1731 331 -128 17 C +ATOM 350 CD1ALEU A 57 -19.365 14.744 -8.217 0.80 16.63 C +ANISOU 350 CD1ALEU A 57 2066 1964 2289 578 250 -93 C +ATOM 351 CD1BLEU A 57 -17.685 12.314 -7.544 0.20 14.50 C +ANISOU 351 CD1BLEU A 57 2148 1524 1834 214 -274 26 C +ATOM 352 CD2ALEU A 57 -17.309 13.555 -7.407 0.80 19.69 C +ANISOU 352 CD2ALEU A 57 3185 2661 1635 391 -667 -112 C +ATOM 353 CD2BLEU A 57 -19.873 13.451 -7.923 0.20 12.64 C +ANISOU 353 CD2BLEU A 57 1739 1213 1850 278 -404 -92 C +ATOM 354 N GLY A 58 -17.881 11.195 -12.188 1.00 14.25 N +ANISOU 354 N GLY A 58 2266 1724 1421 390 -272 -38 N +ATOM 355 CA GLY A 58 -18.175 9.933 -12.879 1.00 15.10 C +ANISOU 355 CA GLY A 58 2042 2026 1668 226 -169 -245 C +ATOM 356 C GLY A 58 -16.906 9.176 -13.180 1.00 15.09 C +ANISOU 356 C GLY A 58 2244 1684 1805 327 -76 -64 C +ATOM 357 O GLY A 58 -16.863 7.962 -12.974 1.00 15.91 O +ANISOU 357 O GLY A 58 2495 1585 1964 415 -407 -203 O +ATOM 358 N GLN A 59 -15.856 9.885 -13.623 1.00 15.83 N +ANISOU 358 N GLN A 59 2242 1907 1865 391 -62 -56 N +ATOM 359 CA AGLN A 59 -14.567 9.246 -13.901 0.50 16.61 C +ANISOU 359 CA AGLN A 59 2078 2114 2118 276 22 175 C +ATOM 360 CA BGLN A 59 -14.541 9.277 -13.898 0.50 16.52 C +ANISOU 360 CA BGLN A 59 2074 2063 2140 265 -8 154 C +ATOM 361 C GLN A 59 -13.975 8.634 -12.629 1.00 16.89 C +ANISOU 361 C GLN A 59 2344 1956 2115 591 -58 -76 C +ATOM 362 O GLN A 59 -13.421 7.525 -12.653 1.00 17.86 O +ANISOU 362 O GLN A 59 2601 1885 2298 612 396 142 O +ATOM 363 CB AGLN A 59 -13.613 10.255 -14.540 0.50 22.46 C +ANISOU 363 CB AGLN A 59 2962 2877 2694 -112 623 422 C +ATOM 364 CB BGLN A 59 -13.555 10.336 -14.412 0.50 21.05 C +ANISOU 364 CB BGLN A 59 2646 2601 2749 -85 479 215 C +ATOM 365 CG AGLN A 59 -13.878 10.422 -16.025 0.50 27.61 C +ANISOU 365 CG AGLN A 59 3793 4098 2599 -358 861 -7 C +ATOM 366 CG BGLN A 59 -13.759 10.778 -15.854 0.50 25.33 C +ANISOU 366 CG BGLN A 59 3674 3139 2809 -125 146 -7 C +ATOM 367 CD AGLN A 59 -13.336 9.251 -16.816 0.50 33.08 C +ANISOU 367 CD AGLN A 59 4991 4549 3028 42 594 -633 C +ATOM 368 CD BGLN A 59 -12.461 11.274 -16.472 0.50 30.06 C +ANISOU 368 CD BGLN A 59 4121 3463 3838 -527 706 -262 C +ATOM 369 OE1AGLN A 59 -12.158 9.222 -17.163 0.50 39.26 O +ANISOU 369 OE1AGLN A 59 5124 5515 4276 235 781 -1721 O +ATOM 370 OE1BGLN A 59 -11.679 11.971 -15.820 0.50 35.52 O +ANISOU 370 OE1BGLN A 59 5006 4224 4265 -500 -331 -352 O +ATOM 371 NE2AGLN A 59 -14.189 8.274 -17.096 0.50 35.18 N +ANISOU 371 NE2AGLN A 59 4693 5743 2930 -347 886 -641 N +ATOM 372 NE2BGLN A 59 -12.219 10.908 -17.728 0.50 31.89 N +ANISOU 372 NE2BGLN A 59 4543 3794 3777 400 -1077 -1160 N +ATOM 373 N TYR A 60 -14.111 9.349 -11.517 1.00 16.08 N +ANISOU 373 N TYR A 60 2232 2124 1753 306 63 51 N +ATOM 374 CA TYR A 60 -13.626 8.859 -10.232 1.00 14.67 C +ANISOU 374 CA TYR A 60 1945 1832 1794 259 -207 -170 C +ATOM 375 C TYR A 60 -14.342 7.568 -9.804 1.00 16.46 C +ANISOU 375 C TYR A 60 1931 1926 2396 471 -272 136 C +ATOM 376 O TYR A 60 -13.697 6.572 -9.389 1.00 16.83 O +ANISOU 376 O TYR A 60 2274 2089 2031 587 -375 205 O +ATOM 377 CB TYR A 60 -13.809 9.966 -9.211 1.00 14.37 C +ANISOU 377 CB TYR A 60 2128 1362 1969 397 -482 -92 C +ATOM 378 CG TYR A 60 -13.387 9.609 -7.799 1.00 15.32 C +ANISOU 378 CG TYR A 60 1927 1769 2122 549 -480 183 C +ATOM 379 CD1 TYR A 60 -12.071 9.792 -7.383 1.00 15.79 C +ANISOU 379 CD1 TYR A 60 1841 1867 2290 430 -428 156 C +ATOM 380 CD2 TYR A 60 -14.314 9.102 -6.870 1.00 16.61 C +ANISOU 380 CD2 TYR A 60 2314 1742 2255 594 -310 266 C +ATOM 381 CE1 TYR A 60 -11.672 9.489 -6.075 1.00 16.07 C +ANISOU 381 CE1 TYR A 60 1954 1810 2339 154 -661 181 C +ATOM 382 CE2 TYR A 60 -13.924 8.789 -5.567 1.00 17.80 C +ANISOU 382 CE2 TYR A 60 2249 2078 2433 401 -767 172 C +ATOM 383 CZ TYR A 60 -12.595 8.982 -5.180 1.00 17.14 C +ANISOU 383 CZ TYR A 60 2164 1858 2491 151 -575 -16 C +ATOM 384 OH TYR A 60 -12.199 8.670 -3.896 1.00 19.94 O +ANISOU 384 OH TYR A 60 2251 2282 3040 28 -1042 260 O +ATOM 385 N ILE A 61 -15.674 7.569 -9.915 1.00 14.03 N +ANISOU 385 N ILE A 61 1777 1593 1957 175 -98 29 N +ATOM 386 CA ILE A 61 -16.456 6.356 -9.618 1.00 12.84 C +ANISOU 386 CA ILE A 61 1641 1440 1796 285 -317 9 C +ATOM 387 C ILE A 61 -16.059 5.165 -10.485 1.00 15.20 C +ANISOU 387 C ILE A 61 2313 1563 1899 405 -125 -11 C +ATOM 388 O ILE A 61 -15.937 4.027 -10.009 1.00 18.05 O +ANISOU 388 O ILE A 61 2814 1904 2137 800 -235 256 O +ATOM 389 CB ILE A 61 -17.969 6.691 -9.788 1.00 13.26 C +ANISOU 389 CB ILE A 61 1530 1412 2096 316 -242 -12 C +ATOM 390 CG1 ILE A 61 -18.430 7.590 -8.639 1.00 15.01 C +ANISOU 390 CG1 ILE A 61 2017 1437 2247 617 -196 29 C +ATOM 391 CG2 ILE A 61 -18.851 5.432 -9.960 1.00 14.62 C +ANISOU 391 CG2 ILE A 61 2056 1471 2028 90 -241 185 C +ATOM 392 CD1 ILE A 61 -19.742 8.318 -8.929 1.00 14.67 C +ANISOU 392 CD1 ILE A 61 1773 1715 2087 648 204 201 C +ATOM 393 N MET A 62 -15.818 5.407 -11.764 1.00 16.49 N +ANISOU 393 N MET A 62 2466 1834 1964 274 -33 -308 N +ATOM 394 CA MET A 62 -15.409 4.306 -12.649 1.00 16.93 C +ANISOU 394 CA MET A 62 2717 1896 1817 785 203 -91 C +ATOM 395 C MET A 62 -14.000 3.792 -12.353 1.00 19.20 C +ANISOU 395 C MET A 62 2879 1753 2664 928 101 -189 C +ATOM 396 O MET A 62 -13.768 2.577 -12.364 1.00 24.13 O +ANISOU 396 O MET A 62 3851 1797 3518 1257 -183 -228 O +ATOM 397 CB MET A 62 -15.533 4.726 -14.136 1.00 18.01 C +ANISOU 397 CB MET A 62 2898 2115 1828 955 -102 -109 C +ATOM 398 CG MET A 62 -16.932 5.133 -14.589 1.00 19.50 C +ANISOU 398 CG MET A 62 2893 1847 2666 363 -573 161 C +ATOM 399 SD MET A 62 -18.184 3.903 -14.223 1.00 22.09 S +ANISOU 399 SD MET A 62 3149 2313 2930 189 4 -46 S +ATOM 400 CE MET A 62 -17.679 2.577 -15.326 1.00 27.05 C +ANISOU 400 CE MET A 62 4079 2362 3835 -901 -616 -1322 C +ATOM 401 N THR A 63 -13.067 4.717 -12.093 1.00 20.09 N +ANISOU 401 N THR A 63 2461 2210 2961 791 117 29 N +ATOM 402 CA THR A 63 -11.663 4.405 -11.797 1.00 23.17 C +ANISOU 402 CA THR A 63 2864 2302 3635 1066 -275 453 C +ATOM 403 C THR A 63 -11.544 3.603 -10.508 1.00 23.62 C +ANISOU 403 C THR A 63 3217 2441 3313 1198 -106 278 C +ATOM 404 O THR A 63 -10.791 2.621 -10.455 1.00 27.28 O +ANISOU 404 O THR A 63 3342 2841 4181 1525 43 550 O +ATOM 405 CB THR A 63 -10.803 5.704 -11.716 1.00 25.07 C +ANISOU 405 CB THR A 63 2627 3021 3877 483 -254 360 C +ATOM 406 OG1 THR A 63 -10.809 6.342 -12.998 1.00 29.29 O +ANISOU 406 OG1 THR A 63 3226 3413 4489 -41 174 668 O +ATOM 407 CG2 THR A 63 -9.360 5.423 -11.332 1.00 32.50 C +ANISOU 407 CG2 THR A 63 2955 3674 5718 995 -330 758 C +ATOM 408 N LYS A 64 -12.298 3.998 -9.484 1.00 22.91 N +ANISOU 408 N LYS A 64 2718 2620 3365 632 33 397 N +ATOM 409 CA LYS A 64 -12.250 3.308 -8.193 1.00 22.69 C +ANISOU 409 CA LYS A 64 2380 2604 3634 919 -535 474 C +ATOM 410 C LYS A 64 -13.254 2.155 -8.085 1.00 24.11 C +ANISOU 410 C LYS A 64 3415 2239 3507 629 -428 161 C +ATOM 411 O LYS A 64 -13.351 1.489 -7.033 1.00 23.48 O +ANISOU 411 O LYS A 64 3096 2146 3677 853 -300 427 O +ATOM 412 CB LYS A 64 -12.454 4.288 -7.044 1.00 24.23 C +ANISOU 412 CB LYS A 64 2669 2629 3905 482 -786 213 C +ATOM 413 CG LYS A 64 -11.319 5.278 -6.906 1.00 27.70 C +ANISOU 413 CG LYS A 64 3098 3089 4336 -65 -391 22 C +ATOM 414 CD LYS A 64 -11.369 5.913 -5.546 1.00 30.06 C +ANISOU 414 CD LYS A 64 3760 3493 4168 452 -1117 -35 C +ATOM 415 CE LYS A 64 -10.432 5.268 -4.549 1.00 30.71 C +ANISOU 415 CE LYS A 64 2683 3977 5008 1332 -890 -508 C +ATOM 416 NZ LYS A 64 -10.377 6.203 -3.384 1.00 30.44 N +ANISOU 416 NZ LYS A 64 2493 3995 5078 520 -929 -638 N +ATOM 417 N ARG A 65 -13.981 1.919 -9.168 1.00 20.28 N +ANISOU 417 N ARG A 65 2992 1980 2733 848 94 -3 N +ATOM 418 CA ARG A 65 -14.936 0.795 -9.240 1.00 23.07 C +ANISOU 418 CA ARG A 65 3978 1821 2963 826 45 -149 C +ATOM 419 C ARG A 65 -15.971 0.846 -8.101 1.00 21.86 C +ANISOU 419 C ARG A 65 3539 1844 2921 1158 -206 184 C +ATOM 420 O ARG A 65 -16.259 -0.158 -7.454 1.00 22.60 O +ANISOU 420 O ARG A 65 3718 1970 2897 767 -105 90 O +ATOM 421 CB ARG A 65 -14.188 -0.565 -9.310 1.00 26.46 C +ANISOU 421 CB ARG A 65 3971 2171 3910 1174 384 149 C +ATOM 422 CG ARG A 65 -13.310 -0.709 -10.552 1.00 31.62 C +ANISOU 422 CG ARG A 65 4639 2847 4526 1238 772 -690 C +ATOM 423 CD ARG A 65 -13.025 -2.172 -10.861 0.50 34.39 C +ANISOU 423 CD ARG A 65 5260 3522 4284 2382 883 -1168 C +ATOM 424 NE ARG A 65 -11.811 -2.646 -10.210 0.50 48.05 N +ANISOU 424 NE ARG A 65 5670 5163 7422 1175 -1062 -782 N +ATOM 425 CZ ARG A 65 -11.370 -3.899 -10.287 0.50 52.27 C +ANISOU 425 CZ ARG A 65 7271 5508 7080 1789 -703 -1399 C +ATOM 426 NH1 ARG A 65 -12.053 -4.800 -10.981 0.50 53.80 N +ANISOU 426 NH1 ARG A 65 6732 4659 9047 723 -622 -362 N +ATOM 427 NH2 ARG A 65 -10.253 -4.252 -9.669 0.50 57.07 N +ANISOU 427 NH2 ARG A 65 7837 5859 7987 420 -2027 -733 N +ATOM 428 N LEU A 66 -16.568 2.026 -7.899 1.00 19.58 N +ANISOU 428 N LEU A 66 3316 1729 2393 859 -282 -39 N +ATOM 429 CA LEU A 66 -17.564 2.217 -6.852 1.00 15.96 C +ANISOU 429 CA LEU A 66 2596 1459 2009 525 -547 -341 C +ATOM 430 C LEU A 66 -18.941 1.808 -7.371 1.00 17.95 C +ANISOU 430 C LEU A 66 2784 2281 1754 543 -954 -39 C +ATOM 431 O LEU A 66 -19.939 1.920 -6.663 1.00 21.37 O +ANISOU 431 O LEU A 66 2939 2809 2369 -176 -674 -980 O +ATOM 432 CB LEU A 66 -17.580 3.691 -6.334 1.00 16.49 C +ANISOU 432 CB LEU A 66 2614 1161 2487 32 -766 25 C +ATOM 433 CG LEU A 66 -16.209 4.221 -5.858 1.00 16.00 C +ANISOU 433 CG LEU A 66 2440 1496 2141 214 -885 88 C +ATOM 434 CD1 LEU A 66 -16.339 5.660 -5.345 1.00 18.27 C +ANISOU 434 CD1 LEU A 66 2952 1914 2074 446 -479 -351 C +ATOM 435 CD2 LEU A 66 -15.674 3.276 -4.787 1.00 17.28 C +ANISOU 435 CD2 LEU A 66 2456 1631 2475 641 -914 72 C +ATOM 436 N TYR A 67 -18.996 1.400 -8.641 1.00 20.02 N +ANISOU 436 N TYR A 67 3142 2087 2375 659 -1008 -912 N +ATOM 437 CA TYR A 67 -20.209 0.799 -9.227 1.00 20.32 C +ANISOU 437 CA TYR A 67 3519 1937 2263 -104 -671 -478 C +ATOM 438 C TYR A 67 -20.465 -0.660 -8.739 1.00 21.05 C +ANISOU 438 C TYR A 67 3371 1913 2714 516 -686 -211 C +ATOM 439 O TYR A 67 -19.565 -1.302 -8.178 1.00 26.68 O +ANISOU 439 O TYR A 67 4605 2252 3279 1189 -1428 -832 O +ATOM 440 CB TYR A 67 -20.136 0.891 -10.757 1.00 20.67 C +ANISOU 440 CB TYR A 67 3548 1916 2390 663 -798 -199 C +ATOM 441 CG TYR A 67 -18.927 0.229 -11.390 1.00 22.02 C +ANISOU 441 CG TYR A 67 3598 2236 2531 794 -1081 -177 C +ATOM 442 CD1 TYR A 67 -18.889 -1.158 -11.571 1.00 22.55 C +ANISOU 442 CD1 TYR A 67 3062 2226 3279 1180 -1155 -750 C +ATOM 443 CD2 TYR A 67 -17.853 0.977 -11.841 1.00 24.01 C +ANISOU 443 CD2 TYR A 67 3562 2523 3037 730 -450 2 C +ATOM 444 CE1 TYR A 67 -17.804 -1.777 -12.158 1.00 26.76 C +ANISOU 444 CE1 TYR A 67 3576 3301 3290 631 -822 -1900 C +ATOM 445 CE2 TYR A 67 -16.749 0.355 -12.443 1.00 31.02 C +ANISOU 445 CE2 TYR A 67 4358 2974 4454 689 148 -719 C +ATOM 446 CZ TYR A 67 -16.744 -1.021 -12.604 1.00 26.64 C +ANISOU 446 CZ TYR A 67 3962 2826 3333 1129 -376 -471 C +ATOM 447 OH TYR A 67 -15.684 -1.695 -13.181 1.00 33.31 O +ANISOU 447 OH TYR A 67 4358 4941 3355 1515 -567 -968 O +ATOM 448 N ASP A 68 -21.681 -1.176 -8.977 1.00 23.68 N +ANISOU 448 N ASP A 68 4166 1926 2902 115 -975 -441 N +ATOM 449 CA ASP A 68 -22.049 -2.567 -8.656 1.00 26.24 C +ANISOU 449 CA ASP A 68 4985 2171 2813 -127 -609 -260 C +ATOM 450 C ASP A 68 -22.565 -3.220 -9.909 1.00 21.14 C +ANISOU 450 C ASP A 68 4024 1487 2519 487 -390 -315 C +ATOM 451 O ASP A 68 -23.507 -2.711 -10.473 1.00 23.87 O +ANISOU 451 O ASP A 68 3685 2105 3279 701 -648 -803 O +ATOM 452 CB ASP A 68 -23.194 -2.643 -7.624 1.00 27.35 C +ANISOU 452 CB ASP A 68 5136 2699 2556 612 -643 -34 C +ATOM 453 CG ASP A 68 -23.656 -4.095 -7.381 1.00 28.91 C +ANISOU 453 CG ASP A 68 4378 3680 2924 167 -172 1498 C +ATOM 454 OD1 ASP A 68 -22.810 -4.920 -6.969 0.50 29.10 O +ANISOU 454 OD1 ASP A 68 6490 2135 2429 1394 1085 1135 O +ATOM 455 OD2 ASP A 68 -24.843 -4.431 -7.596 0.50 31.73 O +ANISOU 455 OD2 ASP A 68 5345 2281 4428 -910 -1486 554 O +ATOM 456 N ALA A 69 -21.973 -4.334 -10.356 1.00 20.92 N +ANISOU 456 N ALA A 69 4309 1504 2136 325 -208 -234 N +ATOM 457 CA ALA A 69 -22.403 -4.944 -11.636 1.00 22.12 C +ANISOU 457 CA ALA A 69 4228 1638 2537 587 -232 -843 C +ATOM 458 C ALA A 69 -23.878 -5.384 -11.702 1.00 24.70 C +ANISOU 458 C ALA A 69 4382 2144 2858 600 -430 -374 C +ATOM 459 O ALA A 69 -24.543 -5.262 -12.775 1.00 29.92 O +ANISOU 459 O ALA A 69 5421 2941 3004 -389 -770 -462 O +ATOM 460 CB ALA A 69 -21.497 -6.123 -11.976 1.00 27.17 C +ANISOU 460 CB ALA A 69 4281 2370 3671 913 323 -1072 C +ATOM 461 N ALA A 70 -24.398 -5.900 -10.584 1.00 26.18 N +ANISOU 461 N ALA A 70 4615 1549 3783 77 737 -867 N +ATOM 462 CA ALA A 70 -25.763 -6.488 -10.600 1.00 23.96 C +ANISOU 462 CA ALA A 70 4699 2160 2245 -41 -730 -170 C +ATOM 463 C ALA A 70 -26.882 -5.450 -10.470 1.00 24.64 C +ANISOU 463 C ALA A 70 4618 2860 1883 226 -639 -169 C +ATOM 464 O ALA A 70 -27.924 -5.597 -11.104 1.00 31.81 O +ANISOU 464 O ALA A 70 5009 3496 3582 528 -977 -1001 O +ATOM 465 CB ALA A 70 -25.901 -7.587 -9.548 1.00 28.26 C +ANISOU 465 CB ALA A 70 4670 2837 3230 -57 241 504 C +ATOM 466 N GLN A 71 -26.648 -4.397 -9.679 1.00 27.52 N +ANISOU 466 N GLN A 71 5126 1746 3584 -307 1023 -144 N +ATOM 467 CA GLN A 71 -27.596 -3.313 -9.530 1.00 23.82 C +ANISOU 467 CA GLN A 71 3924 2035 3090 -391 -363 -180 C +ATOM 468 C GLN A 71 -26.814 -2.001 -9.779 1.00 21.82 C +ANISOU 468 C GLN A 71 4194 1619 2478 51 -312 293 C +ATOM 469 O GLN A 71 -26.339 -1.283 -8.854 1.00 21.85 O +ANISOU 469 O GLN A 71 3917 2424 1960 143 -185 272 O +ATOM 470 CB GLN A 71 -28.248 -3.349 -8.142 1.00 34.25 C +ANISOU 470 CB GLN A 71 5823 3563 3626 560 606 -461 C +ATOM 471 CG GLN A 71 -29.470 -2.440 -7.994 1.00 27.96 C +ANISOU 471 CG GLN A 71 4805 2594 3224 -446 593 -199 C +ATOM 472 CD GLN A 71 -30.317 -2.816 -6.787 1.00 36.46 C +ANISOU 472 CD GLN A 71 4884 5458 3509 -1300 -11 1338 C +ATOM 473 OE1 GLN A 71 -31.549 -2.749 -6.838 1.00 39.21 O +ANISOU 473 OE1 GLN A 71 4770 5783 4345 -292 -139 -29 O +ATOM 474 NE2 GLN A 71 -29.660 -3.206 -5.694 1.00 27.43 N +ANISOU 474 NE2 GLN A 71 3592 2979 3850 -892 -538 -149 N +ATOM 475 N GLN A 72 -26.679 -1.712 -11.064 1.00 18.12 N +ANISOU 475 N GLN A 72 3284 1375 2224 -29 -210 -122 N +ATOM 476 CA GLN A 72 -25.805 -0.675 -11.530 1.00 20.42 C +ANISOU 476 CA GLN A 72 4170 1572 2015 -461 -165 -435 C +ATOM 477 C GLN A 72 -26.204 0.718 -11.130 1.00 18.32 C +ANISOU 477 C GLN A 72 3137 1653 2168 -236 -474 -528 C +ATOM 478 O GLN A 72 -25.353 1.620 -11.166 1.00 18.89 O +ANISOU 478 O GLN A 72 3258 1789 2129 -378 -712 -220 O +ATOM 479 CB GLN A 72 -25.806 -0.725 -13.052 1.00 20.88 C +ANISOU 479 CB GLN A 72 3650 2365 1915 -214 -290 -757 C +ATOM 480 CG GLN A 72 -24.930 -1.823 -13.491 1.00 27.09 C +ANISOU 480 CG GLN A 72 4169 4069 2055 542 -238 -1078 C +ATOM 481 CD GLN A 72 -24.862 -1.876 -14.986 1.00 20.01 C +ANISOU 481 CD GLN A 72 2677 3060 1867 408 -744 -451 C +ATOM 482 OE1 GLN A 72 -24.706 -0.850 -15.682 1.00 18.80 O +ANISOU 482 OE1 GLN A 72 2202 2994 1945 683 -620 -561 O +ATOM 483 NE2 GLN A 72 -24.962 -3.062 -15.480 1.00 20.84 N +ANISOU 483 NE2 GLN A 72 2295 2931 2692 -263 -177 -371 N +ATOM 484 N HIS A 73 -27.467 0.898 -10.733 1.00 17.02 N +ANISOU 484 N HIS A 73 3161 1443 1862 -158 -859 -393 N +ATOM 485 CA HIS A 73 -27.967 2.238 -10.419 1.00 16.27 C +ANISOU 485 CA HIS A 73 2652 1468 2059 -46 -935 -206 C +ATOM 486 C HIS A 73 -27.558 2.762 -9.071 1.00 14.57 C +ANISOU 486 C HIS A 73 2313 1411 1811 -132 -746 82 C +ATOM 487 O HIS A 73 -27.869 3.912 -8.748 1.00 15.51 O +ANISOU 487 O HIS A 73 2853 1455 1583 -137 -796 3 O +ATOM 488 CB HIS A 73 -29.494 2.352 -10.637 1.00 20.23 C +ANISOU 488 CB HIS A 73 2566 2588 2532 -326 -986 -1 C +ATOM 489 CG HIS A 73 -30.325 1.984 -9.435 1.00 18.02 C +ANISOU 489 CG HIS A 73 2817 1764 2263 -623 -967 -586 C +ATOM 490 ND1 HIS A 73 -30.735 0.701 -9.187 1.00 22.87 N +ANISOU 490 ND1 HIS A 73 3261 2164 3264 -968 -239 -350 N +ATOM 491 CD2 HIS A 73 -30.843 2.773 -8.405 1.00 16.23 C +ANISOU 491 CD2 HIS A 73 2448 1822 1894 -349 -640 -13 C +ATOM 492 CE1 HIS A 73 -31.467 0.686 -8.050 1.00 25.89 C +ANISOU 492 CE1 HIS A 73 3474 2759 3602 -874 -102 -262 C +ATOM 493 NE2 HIS A 73 -31.521 1.954 -7.567 1.00 23.21 N +ANISOU 493 NE2 HIS A 73 3345 2201 3271 -821 -304 300 N +ATOM 494 N ILE A 74 -26.862 1.941 -8.274 1.00 13.68 N +ANISOU 494 N ILE A 74 2425 1315 1456 -85 -778 -49 N +ATOM 495 CA ILE A 74 -26.412 2.372 -6.920 1.00 13.35 C +ANISOU 495 CA ILE A 74 2553 941 1578 19 -726 -234 C +ATOM 496 C ILE A 74 -24.900 2.455 -6.887 1.00 14.64 C +ANISOU 496 C ILE A 74 2657 1338 1565 78 -613 -47 C +ATOM 497 O ILE A 74 -24.221 1.482 -7.265 1.00 16.13 O +ANISOU 497 O ILE A 74 2519 1609 1998 207 -519 -303 O +ATOM 498 CB ILE A 74 -26.932 1.435 -5.803 1.00 14.77 C +ANISOU 498 CB ILE A 74 2485 1520 1607 -93 -774 -118 C +ATOM 499 CG1 ILE A 74 -28.469 1.325 -5.878 1.00 17.92 C +ANISOU 499 CG1 ILE A 74 2570 1774 2464 -126 -164 131 C +ATOM 500 CG2 ILE A 74 -26.420 1.885 -4.443 1.00 14.95 C +ANISOU 500 CG2 ILE A 74 2842 1342 1494 132 -694 -74 C +ATOM 501 CD1 ILE A 74 -29.062 0.269 -4.976 1.00 24.06 C +ANISOU 501 CD1 ILE A 74 3516 2583 3040 -1192 -292 381 C +ATOM 502 N VAL A 75 -24.381 3.606 -6.462 1.00 14.11 N +ANISOU 502 N VAL A 75 2287 1496 1577 -138 -576 233 N +ATOM 503 CA VAL A 75 -22.950 3.793 -6.231 1.00 13.66 C +ANISOU 503 CA VAL A 75 2165 1437 1586 -30 -588 47 C +ATOM 504 C VAL A 75 -22.680 3.519 -4.756 1.00 13.20 C +ANISOU 504 C VAL A 75 2053 1251 1709 379 -561 -61 C +ATOM 505 O VAL A 75 -23.403 4.006 -3.892 1.00 15.17 O +ANISOU 505 O VAL A 75 2698 1562 1503 325 -443 -101 O +ATOM 506 CB VAL A 75 -22.533 5.239 -6.620 1.00 15.13 C +ANISOU 506 CB VAL A 75 2349 1846 1554 -417 -529 246 C +ATOM 507 CG1 VAL A 75 -21.123 5.558 -6.112 1.00 15.29 C +ANISOU 507 CG1 VAL A 75 2219 1739 1851 -234 -687 208 C +ATOM 508 CG2 VAL A 75 -22.655 5.435 -8.141 1.00 18.88 C +ANISOU 508 CG2 VAL A 75 2591 3076 1504 -163 -784 177 C +ATOM 509 N TYR A 76 -21.638 2.734 -4.494 1.00 11.99 N +ANISOU 509 N TYR A 76 2133 1031 1391 302 -983 69 N +ATOM 510 CA TYR A 76 -21.221 2.385 -3.156 1.00 11.81 C +ANISOU 510 CA TYR A 76 2292 972 1220 114 -825 -49 C +ATOM 511 C TYR A 76 -19.930 3.112 -2.789 1.00 14.91 C +ANISOU 511 C TYR A 76 2316 1416 1933 23 -613 -69 C +ATOM 512 O TYR A 76 -18.860 2.823 -3.347 1.00 18.23 O +ANISOU 512 O TYR A 76 2400 2319 2204 -18 -341 -452 O +ATOM 513 CB TYR A 76 -21.059 0.852 -3.093 1.00 15.72 C +ANISOU 513 CB TYR A 76 2802 979 2190 131 -865 130 C +ATOM 514 CG TYR A 76 -22.388 0.162 -3.225 1.00 16.34 C +ANISOU 514 CG TYR A 76 2921 1369 1919 77 -694 -161 C +ATOM 515 CD1 TYR A 76 -22.895 -0.212 -4.484 1.00 17.33 C +ANISOU 515 CD1 TYR A 76 2951 1246 2386 194 -1111 -334 C +ATOM 516 CD2 TYR A 76 -23.188 -0.039 -2.099 1.00 17.43 C +ANISOU 516 CD2 TYR A 76 2808 1571 2243 268 -586 253 C +ATOM 517 CE1 TYR A 76 -24.127 -0.820 -4.585 1.00 18.07 C +ANISOU 517 CE1 TYR A 76 2918 1221 2727 175 -491 -183 C +ATOM 518 CE2 TYR A 76 -24.432 -0.639 -2.198 1.00 18.56 C +ANISOU 518 CE2 TYR A 76 3010 1598 2443 100 -514 -270 C +ATOM 519 CZ TYR A 76 -24.912 -0.981 -3.440 1.00 17.70 C +ANISOU 519 CZ TYR A 76 3260 984 2478 -375 -675 -125 C +ATOM 520 OH TYR A 76 -26.158 -1.565 -3.537 1.00 20.37 O +ANISOU 520 OH TYR A 76 3070 1413 3255 -198 -1464 -368 O +ATOM 521 N CYS A 77 -20.028 4.040 -1.841 1.00 15.82 N +ANISOU 521 N CYS A 77 2615 1517 1878 -184 -714 -94 N +ATOM 522 CA CYS A 77 -18.931 4.955 -1.533 1.00 14.86 C +ANISOU 522 CA CYS A 77 2364 1342 1937 4 -575 -221 C +ATOM 523 C CYS A 77 -18.537 4.960 -0.053 1.00 16.39 C +ANISOU 523 C CYS A 77 2710 1456 2060 -54 -694 -73 C +ATOM 524 O CYS A 77 -17.921 5.914 0.414 1.00 18.38 O +ANISOU 524 O CYS A 77 2971 1266 2744 126 -1071 -304 O +ATOM 525 CB CYS A 77 -19.265 6.370 -2.027 1.00 15.87 C +ANISOU 525 CB CYS A 77 2293 1598 2138 -134 -694 167 C +ATOM 526 SG CYS A 77 -20.893 6.969 -1.532 1.00 16.49 S +ANISOU 526 SG CYS A 77 2678 1571 2014 -122 -466 93 S +ATOM 527 N SER A 78 -18.871 3.893 0.677 1.00 17.72 N +ANISOU 527 N SER A 78 3275 1428 2026 113 -673 16 N +ATOM 528 CA ASER A 78 -18.465 3.780 2.073 0.50 20.01 C +ANISOU 528 CA ASER A 78 3718 1592 2290 -310 -1099 228 C +ATOM 529 CA BSER A 78 -18.467 3.737 2.079 0.50 20.73 C +ANISOU 529 CA BSER A 78 3733 1783 2359 -345 -1170 341 C +ATOM 530 C SER A 78 -16.934 3.634 2.138 1.00 22.15 C +ANISOU 530 C SER A 78 3850 1847 2717 -20 -1014 278 C +ATOM 531 O SER A 78 -16.298 3.086 1.211 1.00 27.74 O +ANISOU 531 O SER A 78 3617 2681 4241 642 -574 245 O +ATOM 532 CB ASER A 78 -19.146 2.573 2.703 0.50 22.23 C +ANISOU 532 CB ASER A 78 4755 2262 1427 -763 -1300 520 C +ATOM 533 CB BSER A 78 -19.141 2.494 2.702 0.50 26.68 C +ANISOU 533 CB BSER A 78 4930 2324 2880 -976 -1477 787 C +ATOM 534 OG ASER A 78 -18.658 1.427 2.060 0.50 23.99 O +ANISOU 534 OG ASER A 78 3852 1605 3657 -672 -954 862 O +ATOM 535 OG BSER A 78 -19.215 2.576 4.123 0.50 29.11 O +ANISOU 535 OG BSER A 78 4423 3762 2872 -848 -1838 1860 O +ATOM 536 N ASN A 79 -16.324 4.145 3.198 1.00 24.79 N +ANISOU 536 N ASN A 79 4076 2690 2651 -445 -1348 1043 N +ATOM 537 CA ASN A 79 -14.856 4.069 3.314 1.00 26.09 C +ANISOU 537 CA ASN A 79 4008 2834 3069 127 -1118 626 C +ATOM 538 C ASN A 79 -14.099 4.685 2.136 1.00 27.24 C +ANISOU 538 C ASN A 79 4063 2723 3562 455 -1022 1190 C +ATOM 539 O ASN A 79 -13.000 4.238 1.774 1.00 28.62 O +ANISOU 539 O ASN A 79 4290 2735 3850 450 -681 1801 O +ATOM 540 CB ASN A 79 -14.418 2.617 3.499 1.00 29.79 C +ANISOU 540 CB ASN A 79 4166 3091 4059 152 -878 1557 C +ATOM 541 CG ASN A 79 -14.801 2.069 4.856 1.00 32.67 C +ANISOU 541 CG ASN A 79 4718 4131 3565 609 -640 1133 C +ATOM 542 OD1 ASN A 79 -14.939 0.869 5.023 1.00 38.45 O +ANISOU 542 OD1 ASN A 79 5561 4109 4939 328 372 670 O +ATOM 543 ND2 ASN A 79 -14.983 2.957 5.834 1.00 38.42 N +ANISOU 543 ND2 ASN A 79 6733 4376 3487 -1012 -863 682 N +ATOM 544 N ASP A 80 -14.712 5.690 1.519 1.00 22.58 N +ANISOU 544 N ASP A 80 3879 1766 2932 278 -562 692 N +ATOM 545 CA ASP A 80 -14.081 6.437 0.446 1.00 19.78 C +ANISOU 545 CA ASP A 80 2797 1937 2779 -53 -1014 688 C +ATOM 546 C ASP A 80 -14.285 7.924 0.710 1.00 19.05 C +ANISOU 546 C ASP A 80 2710 2127 2399 257 -917 508 C +ATOM 547 O ASP A 80 -15.301 8.324 1.308 1.00 18.93 O +ANISOU 547 O ASP A 80 2662 1808 2721 333 -996 533 O +ATOM 548 CB ASP A 80 -14.696 6.041 -0.896 1.00 20.37 C +ANISOU 548 CB ASP A 80 2918 2198 2623 -87 -528 212 C +ATOM 549 CG ASP A 80 -13.897 6.577 -2.080 1.00 21.34 C +ANISOU 549 CG ASP A 80 3104 2099 2904 260 -332 319 C +ATOM 550 OD1 ASP A 80 -13.058 5.828 -2.599 1.00 23.73 O +ANISOU 550 OD1 ASP A 80 2848 2586 3582 614 31 658 O +ATOM 551 OD2 ASP A 80 -14.088 7.747 -2.454 1.00 21.93 O +ANISOU 551 OD2 ASP A 80 3127 2293 2910 265 -783 654 O +ATOM 552 N LEU A 81 -13.326 8.746 0.289 1.00 19.99 N +ANISOU 552 N LEU A 81 2877 1754 2964 39 -1287 653 N +ATOM 553 CA LEU A 81 -13.499 10.214 0.393 1.00 20.55 C +ANISOU 553 CA LEU A 81 2669 1805 3332 -12 -1143 656 C +ATOM 554 C LEU A 81 -14.852 10.651 -0.139 1.00 17.26 C +ANISOU 554 C LEU A 81 2379 1957 2220 -50 -732 169 C +ATOM 555 O LEU A 81 -15.494 11.509 0.445 1.00 18.28 O +ANISOU 555 O LEU A 81 2154 1892 2898 148 -851 291 O +ATOM 556 CB LEU A 81 -12.389 10.975 -0.352 1.00 21.57 C +ANISOU 556 CB LEU A 81 1940 2095 4160 54 -722 472 C +ATOM 557 CG LEU A 81 -12.421 12.518 -0.302 1.00 24.33 C +ANISOU 557 CG LEU A 81 2770 2204 4268 389 -726 701 C +ATOM 558 CD1 LEU A 81 -12.406 13.031 1.119 1.00 26.74 C +ANISOU 558 CD1 LEU A 81 3220 2517 4420 -4 -1081 -305 C +ATOM 559 CD2 LEU A 81 -11.242 13.088 -1.055 1.00 28.45 C +ANISOU 559 CD2 LEU A 81 2151 3186 5472 342 -527 598 C +ATOM 560 N LEU A 82 -15.302 10.026 -1.223 1.00 14.83 N +ANISOU 560 N LEU A 82 1952 1383 2298 -4 -883 202 N +ATOM 561 CA LEU A 82 -16.596 10.436 -1.818 1.00 14.98 C +ANISOU 561 CA LEU A 82 2028 1492 2169 89 -873 192 C +ATOM 562 C LEU A 82 -17.738 10.280 -0.820 1.00 15.04 C +ANISOU 562 C LEU A 82 2382 1424 1906 70 -701 201 C +ATOM 563 O LEU A 82 -18.598 11.164 -0.707 1.00 15.06 O +ANISOU 563 O LEU A 82 2302 1543 1873 114 -865 -14 O +ATOM 564 CB LEU A 82 -16.912 9.658 -3.108 1.00 12.91 C +ANISOU 564 CB LEU A 82 1548 1646 1708 143 -626 284 C +ATOM 565 CG LEU A 82 -18.230 10.005 -3.793 1.00 13.76 C +ANISOU 565 CG LEU A 82 1851 1427 1949 354 -809 287 C +ATOM 566 CD1 LEU A 82 -18.331 11.492 -4.103 1.00 14.36 C +ANISOU 566 CD1 LEU A 82 2235 1473 1748 445 -233 475 C +ATOM 567 CD2 LEU A 82 -18.438 9.158 -5.033 1.00 18.48 C +ANISOU 567 CD2 LEU A 82 2735 2224 2060 272 -408 -223 C +ATOM 568 N GLY A 83 -17.770 9.150 -0.111 1.00 14.64 N +ANISOU 568 N GLY A 83 2376 1548 1636 -82 -812 260 N +ATOM 569 CA GLY A 83 -18.803 8.969 0.942 1.00 16.19 C +ANISOU 569 CA GLY A 83 2778 1321 2050 -75 -374 20 C +ATOM 570 C GLY A 83 -18.697 9.963 2.096 1.00 17.03 C +ANISOU 570 C GLY A 83 2719 1787 1965 -40 -733 -58 C +ATOM 571 O GLY A 83 -19.717 10.415 2.621 1.00 17.32 O +ANISOU 571 O GLY A 83 2939 1704 1935 10 -558 -123 O +ATOM 572 N ASP A 84 -17.483 10.345 2.481 1.00 15.65 N +ANISOU 572 N ASP A 84 2870 1354 1721 162 -1016 233 N +ATOM 573 CA ASP A 84 -17.344 11.371 3.537 1.00 17.85 C +ANISOU 573 CA ASP A 84 3044 1408 2328 -64 -1349 34 C +ATOM 574 C ASP A 84 -17.897 12.720 3.055 1.00 17.36 C +ANISOU 574 C ASP A 84 2853 1786 1955 284 -761 277 C +ATOM 575 O ASP A 84 -18.555 13.442 3.812 1.00 19.45 O +ANISOU 575 O ASP A 84 3341 1998 2050 232 -749 -203 O +ATOM 576 CB ASP A 84 -15.879 11.530 3.981 1.00 20.71 C +ANISOU 576 CB ASP A 84 2882 1917 3070 -40 -1501 435 C +ATOM 577 CG ASP A 84 -15.271 10.247 4.563 1.00 26.17 C +ANISOU 577 CG ASP A 84 3766 2151 4026 330 -1305 686 C +ATOM 578 OD1 ASP A 84 -16.004 9.340 5.039 0.50 23.74 O +ANISOU 578 OD1 ASP A 84 4590 1929 2501 -178 -2106 767 O +ATOM 579 OD2 ASP A 84 -14.029 10.172 4.541 0.50 28.13 O +ANISOU 579 OD2 ASP A 84 3394 2062 5229 127 -3050 144 O +ATOM 580 N LEU A 85 -17.641 13.056 1.793 1.00 15.39 N +ANISOU 580 N LEU A 85 2415 1613 1817 73 -1139 454 N +ATOM 581 CA LEU A 85 -18.120 14.344 1.226 1.00 15.37 C +ANISOU 581 CA LEU A 85 2465 1356 2016 2 -680 364 C +ATOM 582 C LEU A 85 -19.637 14.381 1.005 1.00 15.74 C +ANISOU 582 C LEU A 85 2474 1493 2014 -23 -560 -133 C +ATOM 583 O LEU A 85 -20.271 15.391 1.230 1.00 14.88 O +ANISOU 583 O LEU A 85 2367 1315 1970 -146 -485 154 O +ATOM 584 CB LEU A 85 -17.406 14.633 -0.082 1.00 16.72 C +ANISOU 584 CB LEU A 85 2113 1782 2457 -16 -568 552 C +ATOM 585 CG LEU A 85 -15.884 14.826 0.086 1.00 18.12 C +ANISOU 585 CG LEU A 85 2085 2388 2410 -203 -650 219 C +ATOM 586 CD1 LEU A 85 -15.345 15.247 -1.271 1.00 20.19 C +ANISOU 586 CD1 LEU A 85 2474 2542 2655 674 -132 696 C +ATOM 587 CD2 LEU A 85 -15.455 15.834 1.171 1.00 20.90 C +ANISOU 587 CD2 LEU A 85 2754 2546 2640 -17 -931 88 C +ATOM 588 N PHE A 86 -20.204 13.273 0.509 1.00 14.45 N +ANISOU 588 N PHE A 86 2324 1302 1863 -84 -796 194 N +ATOM 589 CA PHE A 86 -21.632 13.176 0.282 1.00 15.31 C +ANISOU 589 CA PHE A 86 2453 1672 1688 -375 -556 55 C +ATOM 590 C PHE A 86 -22.423 12.845 1.561 1.00 17.39 C +ANISOU 590 C PHE A 86 2927 1893 1784 -457 -517 255 C +ATOM 591 O PHE A 86 -23.637 13.079 1.611 1.00 17.93 O +ANISOU 591 O PHE A 86 3063 2006 1743 190 -208 -238 O +ATOM 592 CB PHE A 86 -21.905 12.136 -0.789 1.00 14.38 C +ANISOU 592 CB PHE A 86 2206 1837 1417 -80 -689 7 C +ATOM 593 CG PHE A 86 -21.776 12.655 -2.217 1.00 13.84 C +ANISOU 593 CG PHE A 86 2211 1490 1558 240 -648 184 C +ATOM 594 CD1 PHE A 86 -21.137 13.866 -2.510 1.00 16.23 C +ANISOU 594 CD1 PHE A 86 2431 1752 1982 264 -395 497 C +ATOM 595 CD2 PHE A 86 -22.303 11.916 -3.270 1.00 15.03 C +ANISOU 595 CD2 PHE A 86 2236 1706 1768 85 -504 -98 C +ATOM 596 CE1 PHE A 86 -21.052 14.340 -3.829 1.00 13.83 C +ANISOU 596 CE1 PHE A 86 1983 1666 1603 302 -315 60 C +ATOM 597 CE2 PHE A 86 -22.209 12.372 -4.581 1.00 14.97 C +ANISOU 597 CE2 PHE A 86 2168 1552 1968 1 -381 156 C +ATOM 598 CZ PHE A 86 -21.582 13.588 -4.865 1.00 14.18 C +ANISOU 598 CZ PHE A 86 2064 1475 1848 74 -244 39 C +ATOM 599 N GLY A 87 -21.735 12.308 2.579 1.00 16.12 N +ANISOU 599 N GLY A 87 3097 1459 1566 -84 -581 -232 N +ATOM 600 CA GLY A 87 -22.375 12.011 3.861 1.00 17.82 C +ANISOU 600 CA GLY A 87 3235 1528 2007 -235 -320 -151 C +ATOM 601 C GLY A 87 -23.225 10.765 3.843 1.00 18.28 C +ANISOU 601 C GLY A 87 3323 1583 2037 -287 -48 -247 C +ATOM 602 O GLY A 87 -24.099 10.608 4.714 1.00 20.48 O +ANISOU 602 O GLY A 87 3571 2216 1993 -467 52 -412 O +ATOM 603 N VAL A 88 -22.968 9.885 2.863 1.00 15.30 N +ANISOU 603 N VAL A 88 2845 1381 1584 -508 -353 -116 N +ATOM 604 CA VAL A 88 -23.773 8.627 2.687 1.00 13.90 C +ANISOU 604 CA VAL A 88 2806 1051 1423 -227 -520 -207 C +ATOM 605 C VAL A 88 -22.862 7.467 2.278 1.00 14.17 C +ANISOU 605 C VAL A 88 2904 1236 1242 76 -353 275 C +ATOM 606 O VAL A 88 -21.812 7.707 1.661 1.00 17.48 O +ANISOU 606 O VAL A 88 2916 1515 2207 -267 -316 -74 O +ATOM 607 CB VAL A 88 -24.909 8.766 1.611 1.00 15.42 C +ANISOU 607 CB VAL A 88 2593 1790 1473 24 -374 66 C +ATOM 608 CG1 VAL A 88 -25.978 9.778 2.033 1.00 20.38 C +ANISOU 608 CG1 VAL A 88 3263 1990 2489 142 -292 -736 C +ATOM 609 CG2 VAL A 88 -24.345 9.158 0.245 1.00 18.44 C +ANISOU 609 CG2 VAL A 88 3145 1911 1950 -407 -4 438 C +ATOM 610 N PRO A 89 -23.236 6.209 2.615 1.00 15.13 N +ANISOU 610 N PRO A 89 2791 1389 1566 -267 -265 -2 N +ATOM 611 CA PRO A 89 -22.436 5.043 2.184 1.00 15.49 C +ANISOU 611 CA PRO A 89 2935 1210 1740 -321 -460 -21 C +ATOM 612 C PRO A 89 -22.804 4.568 0.779 1.00 15.11 C +ANISOU 612 C PRO A 89 2787 1368 1583 12 -580 194 C +ATOM 613 O PRO A 89 -22.081 3.756 0.195 1.00 16.75 O +ANISOU 613 O PRO A 89 2676 1715 1972 -217 -470 190 O +ATOM 614 CB PRO A 89 -22.800 3.975 3.215 1.00 18.14 C +ANISOU 614 CB PRO A 89 3443 1309 2140 -158 -415 237 C +ATOM 615 CG PRO A 89 -24.224 4.327 3.571 1.00 17.94 C +ANISOU 615 CG PRO A 89 3368 1292 2155 -224 33 226 C +ATOM 616 CD PRO A 89 -24.244 5.838 3.626 1.00 17.86 C +ANISOU 616 CD PRO A 89 3362 1327 2095 -621 35 189 C +ATOM 617 N SER A 90 -23.917 5.073 0.241 1.00 14.72 N +ANISOU 617 N SER A 90 2649 1480 1463 -101 -656 -55 N +ATOM 618 CA SER A 90 -24.379 4.691 -1.109 1.00 13.69 C +ANISOU 618 CA SER A 90 2678 1181 1339 -178 -790 307 C +ATOM 619 C SER A 90 -25.396 5.712 -1.570 1.00 14.31 C +ANISOU 619 C SER A 90 2429 1386 1621 -68 -367 275 C +ATOM 620 O SER A 90 -25.974 6.422 -0.746 1.00 16.30 O +ANISOU 620 O SER A 90 2893 1604 1695 -14 -511 -149 O +ATOM 621 CB SER A 90 -25.051 3.287 -1.118 1.00 15.82 C +ANISOU 621 CB SER A 90 2822 1178 2009 -107 -353 251 C +ATOM 622 OG SER A 90 -26.282 3.288 -0.361 1.00 18.72 O +ANISOU 622 OG SER A 90 2880 1657 2574 -334 -486 276 O +ATOM 623 N PHE A 91 -25.619 5.782 -2.883 1.00 14.24 N +ANISOU 623 N PHE A 91 2462 1218 1731 81 -574 329 N +ATOM 624 CA PHE A 91 -26.649 6.671 -3.406 1.00 13.29 C +ANISOU 624 CA PHE A 91 2160 1326 1563 61 -578 116 C +ATOM 625 C PHE A 91 -27.108 6.195 -4.758 1.00 13.41 C +ANISOU 625 C PHE A 91 2030 1408 1657 -41 -401 -159 C +ATOM 626 O PHE A 91 -26.366 5.498 -5.494 1.00 13.72 O +ANISOU 626 O PHE A 91 2062 1199 1951 164 -337 -171 O +ATOM 627 CB PHE A 91 -26.201 8.166 -3.479 1.00 13.47 C +ANISOU 627 CB PHE A 91 2288 1277 1551 90 -389 -190 C +ATOM 628 CG PHE A 91 -25.031 8.432 -4.388 1.00 13.00 C +ANISOU 628 CG PHE A 91 2279 1167 1490 61 -431 161 C +ATOM 629 CD1 PHE A 91 -25.219 8.774 -5.754 1.00 13.71 C +ANISOU 629 CD1 PHE A 91 2702 1164 1343 187 -335 -169 C +ATOM 630 CD2 PHE A 91 -23.720 8.328 -3.900 1.00 15.66 C +ANISOU 630 CD2 PHE A 91 2300 1445 2203 216 -429 9 C +ATOM 631 CE1 PHE A 91 -24.124 9.017 -6.574 1.00 14.41 C +ANISOU 631 CE1 PHE A 91 2175 1372 1928 367 -447 -302 C +ATOM 632 CE2 PHE A 91 -22.625 8.605 -4.717 1.00 14.94 C +ANISOU 632 CE2 PHE A 91 2226 1470 1977 81 -343 -155 C +ATOM 633 CZ PHE A 91 -22.827 8.944 -6.062 1.00 15.42 C +ANISOU 633 CZ PHE A 91 2309 1518 2031 188 -581 -216 C +ATOM 634 N SER A 92 -28.341 6.552 -5.091 1.00 13.72 N +ANISOU 634 N SER A 92 2075 1454 1684 292 -341 -150 N +ATOM 635 CA SER A 92 -28.888 6.206 -6.420 1.00 15.10 C +ANISOU 635 CA SER A 92 2279 1638 1820 -69 -651 78 C +ATOM 636 C SER A 92 -28.495 7.225 -7.498 1.00 15.76 C +ANISOU 636 C SER A 92 2373 1744 1871 142 -177 -71 C +ATOM 637 O SER A 92 -28.685 8.445 -7.323 1.00 15.61 O +ANISOU 637 O SER A 92 2362 1731 1836 15 -288 -226 O +ATOM 638 CB SER A 92 -30.411 6.121 -6.352 1.00 18.24 C +ANISOU 638 CB SER A 92 2181 2475 2274 -122 -675 140 C +ATOM 639 OG SER A 92 -30.934 6.040 -7.673 1.00 17.75 O +ANISOU 639 OG SER A 92 2749 1732 2263 -418 -724 25 O +ATOM 640 N VAL A 93 -27.988 6.728 -8.624 1.00 13.61 N +ANISOU 640 N VAL A 93 2035 1668 1468 -64 -553 -44 N +ATOM 641 CA VAL A 93 -27.641 7.599 -9.764 1.00 13.38 C +ANISOU 641 CA VAL A 93 2108 1333 1641 -13 -528 -61 C +ATOM 642 C VAL A 93 -28.853 8.228 -10.450 1.00 14.84 C +ANISOU 642 C VAL A 93 2291 1463 1884 132 -586 -170 C +ATOM 643 O VAL A 93 -28.687 9.187 -11.224 1.00 17.10 O +ANISOU 643 O VAL A 93 2539 1854 2103 298 -449 126 O +ATOM 644 CB VAL A 93 -26.827 6.821 -10.839 1.00 13.45 C +ANISOU 644 CB VAL A 93 1719 1621 1771 -7 -598 -208 C +ATOM 645 CG1 VAL A 93 -25.540 6.232 -10.223 1.00 17.67 C +ANISOU 645 CG1 VAL A 93 2456 2346 1909 425 -852 231 C +ATOM 646 CG2 VAL A 93 -27.711 5.761 -11.552 1.00 14.97 C +ANISOU 646 CG2 VAL A 93 2338 1503 1848 -73 -681 -319 C +ATOM 647 N LYS A 94 -30.056 7.701 -10.171 1.00 15.50 N +ANISOU 647 N LYS A 94 2090 1574 2226 184 -730 -248 N +ATOM 648 CA LYS A 94 -31.319 8.179 -10.783 1.00 16.46 C +ANISOU 648 CA LYS A 94 2006 1811 2436 293 -583 -63 C +ATOM 649 C LYS A 94 -31.775 9.537 -10.262 1.00 17.56 C +ANISOU 649 C LYS A 94 2446 1838 2385 137 -792 -282 C +ATOM 650 O LYS A 94 -32.550 10.236 -10.931 1.00 20.59 O +ANISOU 650 O LYS A 94 2455 2138 3226 248 -705 155 O +ATOM 651 CB LYS A 94 -32.454 7.152 -10.604 1.00 21.65 C +ANISOU 651 CB LYS A 94 2619 2033 3571 -179 -1220 -285 C +ATOM 652 CG LYS A 94 -32.159 5.748 -11.130 1.00 29.65 C +ANISOU 652 CG LYS A 94 3444 2469 5351 507 -1902 -976 C +ATOM 653 CD LYS A 94 -33.346 4.808 -10.913 1.00 41.63 C +ANISOU 653 CD LYS A 94 4693 3981 7144 -716 -2529 -1126 C +ATOM 654 CE LYS A 94 -33.164 3.456 -11.602 1.00 43.68 C +ANISOU 654 CE LYS A 94 5783 4069 6741 1662 -3316 -799 C +ATOM 655 NZ LYS A 94 -33.112 3.547 -13.097 0.50 46.50 N +ANISOU 655 NZ LYS A 94 8149 2909 6608 4006 -5758 -1762 N +ATOM 656 N GLU A 95 -31.274 9.896 -9.083 1.00 15.63 N +ANISOU 656 N GLU A 95 2317 1496 2124 118 -379 -73 N +ATOM 657 CA AGLU A 95 -31.741 11.049 -8.316 0.50 16.75 C +ANISOU 657 CA AGLU A 95 2505 1552 2305 -124 90 -91 C +ATOM 658 CA BGLU A 95 -31.772 11.063 -8.359 0.50 17.30 C +ANISOU 658 CA BGLU A 95 2613 1542 2416 -159 135 -148 C +ATOM 659 C GLU A 95 -30.867 12.271 -8.600 1.00 14.34 C +ANISOU 659 C GLU A 95 1978 1476 1994 32 -375 203 C +ATOM 660 O GLU A 95 -30.044 12.669 -7.742 1.00 15.58 O +ANISOU 660 O GLU A 95 2422 1455 2042 -27 -224 -43 O +ATOM 661 CB AGLU A 95 -31.679 10.704 -6.820 0.50 18.93 C +ANISOU 661 CB AGLU A 95 2681 2065 2443 -689 49 281 C +ATOM 662 CB BGLU A 95 -31.912 10.725 -6.872 0.50 21.65 C +ANISOU 662 CB BGLU A 95 3156 2472 2596 -748 90 289 C +ATOM 663 CG AGLU A 95 -32.551 9.525 -6.402 0.50 20.54 C +ANISOU 663 CG AGLU A 95 2690 1665 3447 -401 -117 535 C +ATOM 664 CG BGLU A 95 -32.982 9.672 -6.594 0.50 26.24 C +ANISOU 664 CG BGLU A 95 3659 2174 4133 -932 21 5 C +ATOM 665 CD AGLU A 95 -34.030 9.835 -6.513 0.50 23.57 C +ANISOU 665 CD AGLU A 95 2538 2288 4127 -513 -10 143 C +ATOM 666 CD BGLU A 95 -33.057 9.296 -5.134 0.50 33.65 C +ANISOU 666 CD BGLU A 95 4974 3586 4224 -451 541 230 C +ATOM 667 OE1AGLU A 95 -34.408 11.037 -6.440 0.50 22.49 O +ANISOU 667 OE1AGLU A 95 2547 2223 3775 -427 23 876 O +ATOM 668 OE1BGLU A 95 -32.018 8.877 -4.586 0.50 42.34 O +ANISOU 668 OE1BGLU A 95 5693 5458 4933 1057 630 -263 O +ATOM 669 OE2AGLU A 95 -34.809 8.869 -6.672 0.50 23.79 O +ANISOU 669 OE2AGLU A 95 2137 2822 4080 -611 -111 28 O +ATOM 670 OE2BGLU A 95 -34.149 9.412 -4.536 0.50 40.91 O +ANISOU 670 OE2BGLU A 95 4954 3966 6624 284 882 -372 O +ATOM 671 N HIS A 96 -31.012 12.866 -9.800 1.00 12.99 N +ANISOU 671 N HIS A 96 1944 1216 1776 -169 -455 -142 N +ATOM 672 CA HIS A 96 -30.008 13.901 -10.209 1.00 12.81 C +ANISOU 672 CA HIS A 96 1949 1339 1578 -167 -195 -144 C +ATOM 673 C HIS A 96 -30.061 15.120 -9.321 1.00 11.11 C +ANISOU 673 C HIS A 96 1461 1218 1539 73 -207 -129 C +ATOM 674 O HIS A 96 -29.016 15.677 -8.971 1.00 12.01 O +ANISOU 674 O HIS A 96 1573 1380 1610 99 -464 -22 O +ATOM 675 CB HIS A 96 -30.121 14.310 -11.671 1.00 13.32 C +ANISOU 675 CB HIS A 96 2037 1436 1587 250 -575 -213 C +ATOM 676 CG HIS A 96 -29.731 13.202 -12.638 1.00 14.10 C +ANISOU 676 CG HIS A 96 1986 1638 1731 173 -533 -408 C +ATOM 677 ND1 HIS A 96 -29.542 13.419 -13.958 1.00 16.74 N +ANISOU 677 ND1 HIS A 96 2584 1954 1819 -397 -406 -553 N +ATOM 678 CD2 HIS A 96 -29.536 11.830 -12.438 1.00 14.00 C +ANISOU 678 CD2 HIS A 96 1636 1755 1927 191 -263 -248 C +ATOM 679 CE1 HIS A 96 -29.193 12.267 -14.561 1.00 17.49 C +ANISOU 679 CE1 HIS A 96 2819 1908 1918 101 -382 -256 C +ATOM 680 NE2 HIS A 96 -29.221 11.290 -13.652 1.00 15.45 N +ANISOU 680 NE2 HIS A 96 2214 1893 1761 271 -326 -226 N +ATOM 681 N ARG A 97 -31.261 15.560 -8.956 1.00 13.02 N +ANISOU 681 N ARG A 97 1725 1562 1659 367 -130 -152 N +ATOM 682 CA ARG A 97 -31.385 16.729 -8.041 1.00 12.43 C +ANISOU 682 CA ARG A 97 1566 1492 1663 209 -170 -158 C +ATOM 683 C ARG A 97 -30.725 16.433 -6.696 1.00 12.92 C +ANISOU 683 C ARG A 97 1853 1360 1696 -113 -246 15 C +ATOM 684 O ARG A 97 -29.995 17.282 -6.168 1.00 12.18 O +ANISOU 684 O ARG A 97 1735 1477 1415 47 -378 -184 O +ATOM 685 CB ARG A 97 -32.877 17.076 -7.813 1.00 14.36 C +ANISOU 685 CB ARG A 97 1463 1928 2063 263 -356 -178 C +ATOM 686 CG ARG A 97 -33.137 18.191 -6.765 1.00 14.24 C +ANISOU 686 CG ARG A 97 1602 1488 2319 102 -325 -134 C +ATOM 687 CD ARG A 97 -32.365 19.475 -7.075 1.00 12.16 C +ANISOU 687 CD ARG A 97 1428 1652 1539 100 -329 53 C +ATOM 688 NE ARG A 97 -32.680 20.055 -8.407 1.00 13.38 N +ANISOU 688 NE ARG A 97 1701 1701 1682 616 -194 285 N +ATOM 689 CZ ARG A 97 -31.875 20.930 -9.034 1.00 13.14 C +ANISOU 689 CZ ARG A 97 1811 1617 1562 177 -508 208 C +ATOM 690 NH1 ARG A 97 -30.711 21.281 -8.469 1.00 12.52 N +ANISOU 690 NH1 ARG A 97 1785 1567 1403 375 -341 -83 N +ATOM 691 NH2 ARG A 97 -32.226 21.456 -10.233 1.00 13.85 N +ANISOU 691 NH2 ARG A 97 1872 1817 1571 718 -573 110 N +ATOM 692 N LYS A 98 -30.936 15.234 -6.134 1.00 12.60 N +ANISOU 692 N LYS A 98 1768 1328 1688 186 -202 187 N +ATOM 693 CA LYS A 98 -30.284 14.914 -4.844 1.00 13.65 C +ANISOU 693 CA LYS A 98 1780 1492 1911 -85 -424 263 C +ATOM 694 C LYS A 98 -28.748 14.880 -4.971 1.00 12.56 C +ANISOU 694 C LYS A 98 1782 1439 1551 197 -339 -32 C +ATOM 695 O LYS A 98 -28.057 15.344 -4.051 1.00 12.49 O +ANISOU 695 O LYS A 98 1725 1299 1719 242 -483 19 O +ATOM 696 CB LYS A 98 -30.800 13.586 -4.263 1.00 13.77 C +ANISOU 696 CB LYS A 98 1938 1482 1811 -143 18 183 C +ATOM 697 CG LYS A 98 -32.297 13.599 -3.974 1.00 22.24 C +ANISOU 697 CG LYS A 98 2016 2794 3638 -288 308 700 C +ATOM 698 CD LYS A 98 -32.729 12.361 -3.208 1.00 27.95 C +ANISOU 698 CD LYS A 98 3463 3310 3846 -1173 505 594 C +ATOM 699 CE LYS A 98 -34.229 12.395 -2.958 1.00 35.22 C +ANISOU 699 CE LYS A 98 3364 4637 5379 -1170 329 931 C +ATOM 700 NZ LYS A 98 -34.598 11.331 -1.991 1.00 40.82 N +ANISOU 700 NZ LYS A 98 5389 4813 5308 -858 1179 779 N +ATOM 701 N ILE A 99 -28.233 14.383 -6.102 1.00 10.87 N +ANISOU 701 N ILE A 99 1322 1278 1529 -7 -442 101 N +ATOM 702 CA ILE A 99 -26.770 14.405 -6.357 1.00 11.63 C +ANISOU 702 CA ILE A 99 1552 1104 1762 121 -122 -176 C +ATOM 703 C ILE A 99 -26.265 15.863 -6.464 1.00 10.82 C +ANISOU 703 C ILE A 99 1680 1150 1280 16 -491 -47 C +ATOM 704 O ILE A 99 -25.270 16.225 -5.824 1.00 11.75 O +ANISOU 704 O ILE A 99 1672 1324 1467 139 -506 -187 O +ATOM 705 CB ILE A 99 -26.407 13.559 -7.583 1.00 10.21 C +ANISOU 705 CB ILE A 99 1495 1198 1183 -41 -205 121 C +ATOM 706 CG1 ILE A 99 -26.681 12.091 -7.246 1.00 12.89 C +ANISOU 706 CG1 ILE A 99 2277 1069 1549 -255 -557 -170 C +ATOM 707 CG2 ILE A 99 -24.939 13.735 -7.949 1.00 11.84 C +ANISOU 707 CG2 ILE A 99 1384 1503 1609 280 -87 -149 C +ATOM 708 CD1 ILE A 99 -26.735 11.187 -8.470 1.00 14.00 C +ANISOU 708 CD1 ILE A 99 2231 1465 1622 -8 -587 -460 C +ATOM 709 N TYR A 100 -26.975 16.704 -7.226 1.00 10.74 N +ANISOU 709 N TYR A 100 1620 1097 1362 199 -230 -34 N +ATOM 710 CA TYR A 100 -26.627 18.128 -7.274 1.00 11.24 C +ANISOU 710 CA TYR A 100 1988 1077 1205 221 -426 -79 C +ATOM 711 C TYR A 100 -26.568 18.741 -5.867 1.00 11.66 C +ANISOU 711 C TYR A 100 1890 1342 1197 0 -191 -98 C +ATOM 712 O TYR A 100 -25.600 19.438 -5.540 1.00 11.05 O +ANISOU 712 O TYR A 100 1724 1159 1314 257 -364 -167 O +ATOM 713 CB TYR A 100 -27.555 18.926 -8.205 1.00 11.25 C +ANISOU 713 CB TYR A 100 1922 1366 985 225 -367 2 C +ATOM 714 CG TYR A 100 -26.993 19.039 -9.635 1.00 10.03 C +ANISOU 714 CG TYR A 100 1804 952 1051 180 -269 -150 C +ATOM 715 CD1 TYR A 100 -26.669 17.902 -10.412 1.00 13.19 C +ANISOU 715 CD1 TYR A 100 2025 1373 1613 381 -332 -539 C +ATOM 716 CD2 TYR A 100 -26.705 20.282 -10.166 1.00 10.97 C +ANISOU 716 CD2 TYR A 100 1576 1304 1289 74 -318 325 C +ATOM 717 CE1 TYR A 100 -26.107 18.047 -11.666 1.00 14.65 C +ANISOU 717 CE1 TYR A 100 2118 1783 1663 48 -366 -140 C +ATOM 718 CE2 TYR A 100 -26.170 20.435 -11.441 1.00 12.00 C +ANISOU 718 CE2 TYR A 100 1941 1498 1119 63 -376 -132 C +ATOM 719 CZ TYR A 100 -25.853 19.324 -12.180 1.00 13.25 C +ANISOU 719 CZ TYR A 100 2001 1648 1386 273 -503 -262 C +ATOM 720 OH TYR A 100 -25.255 19.475 -13.424 1.00 15.32 O +ANISOU 720 OH TYR A 100 2474 1877 1468 324 -371 78 O +ATOM 721 N THR A 101 -27.567 18.451 -5.030 1.00 11.08 N +ANISOU 721 N THR A 101 1797 1264 1146 276 -155 -27 N +ATOM 722 CA THR A 101 -27.568 18.979 -3.652 1.00 10.90 C +ANISOU 722 CA THR A 101 1805 1249 1086 229 -103 64 C +ATOM 723 C THR A 101 -26.322 18.537 -2.875 1.00 12.15 C +ANISOU 723 C THR A 101 1900 1294 1420 149 -311 -81 C +ATOM 724 O THR A 101 -25.711 19.335 -2.162 1.00 13.34 O +ANISOU 724 O THR A 101 2107 1331 1628 146 -293 -277 O +ATOM 725 CB THR A 101 -28.871 18.546 -2.945 1.00 12.01 C +ANISOU 725 CB THR A 101 1694 1718 1149 326 -94 181 C +ATOM 726 OG1 THR A 101 -29.973 19.143 -3.646 1.00 13.24 O +ANISOU 726 OG1 THR A 101 1901 1385 1742 414 -203 278 O +ATOM 727 CG2 THR A 101 -28.903 18.970 -1.476 1.00 14.48 C +ANISOU 727 CG2 THR A 101 2477 1648 1375 -86 59 -159 C +ATOM 728 N MET A 102 -25.969 17.257 -2.977 1.00 12.60 N +ANISOU 728 N MET A 102 2050 1425 1312 476 -418 -149 N +ATOM 729 CA MET A 102 -24.766 16.754 -2.284 1.00 11.35 C +ANISOU 729 CA MET A 102 1770 1005 1536 270 -344 -66 C +ATOM 730 C MET A 102 -23.497 17.455 -2.801 1.00 11.91 C +ANISOU 730 C MET A 102 1966 1202 1355 83 -430 56 C +ATOM 731 O MET A 102 -22.582 17.740 -2.011 1.00 13.57 O +ANISOU 731 O MET A 102 2001 1425 1729 -100 -536 -16 O +ATOM 732 CB MET A 102 -24.666 15.220 -2.423 1.00 11.63 C +ANISOU 732 CB MET A 102 1911 931 1575 86 -366 264 C +ATOM 733 CG MET A 102 -25.748 14.520 -1.611 1.00 14.98 C +ANISOU 733 CG MET A 102 2232 1556 1901 -299 44 -46 C +ATOM 734 SD MET A 102 -25.590 12.705 -1.554 1.00 16.80 S +ANISOU 734 SD MET A 102 2586 1647 2147 0 -527 285 S +ATOM 735 CE MET A 102 -26.029 12.276 -3.227 1.00 17.26 C +ANISOU 735 CE MET A 102 2776 1691 2089 -108 -584 133 C +ATOM 736 N ILE A 103 -23.436 17.714 -4.109 1.00 10.36 N +ANISOU 736 N ILE A 103 1633 916 1386 77 -356 -58 N +ATOM 737 CA ILE A 103 -22.311 18.459 -4.665 1.00 10.49 C +ANISOU 737 CA ILE A 103 1715 1194 1076 -15 -414 -65 C +ATOM 738 C ILE A 103 -22.320 19.910 -4.183 1.00 11.05 C +ANISOU 738 C ILE A 103 1661 1194 1341 170 -572 -119 C +ATOM 739 O ILE A 103 -21.270 20.412 -3.774 1.00 11.83 O +ANISOU 739 O ILE A 103 1624 1277 1591 114 -606 -207 O +ATOM 740 CB ILE A 103 -22.293 18.396 -6.200 1.00 12.05 C +ANISOU 740 CB ILE A 103 2034 1506 1037 9 -380 -101 C +ATOM 741 CG1 ILE A 103 -22.083 16.910 -6.621 1.00 12.76 C +ANISOU 741 CG1 ILE A 103 1876 1572 1400 0 -611 -229 C +ATOM 742 CG2 ILE A 103 -21.203 19.328 -6.765 1.00 13.74 C +ANISOU 742 CG2 ILE A 103 2108 1852 1259 -92 -316 -47 C +ATOM 743 CD1 ILE A 103 -22.304 16.644 -8.100 1.00 14.54 C +ANISOU 743 CD1 ILE A 103 1979 2137 1406 -164 -430 -434 C +ATOM 744 N TYR A 104 -23.480 20.580 -4.171 1.00 11.87 N +ANISOU 744 N TYR A 104 1976 1120 1410 394 -162 -152 N +ATOM 745 CA TYR A 104 -23.509 22.002 -3.713 1.00 11.87 C +ANISOU 745 CA TYR A 104 1889 1262 1357 299 -571 -331 C +ATOM 746 C TYR A 104 -22.959 22.139 -2.289 1.00 12.10 C +ANISOU 746 C TYR A 104 2281 1072 1242 198 -560 -64 C +ATOM 747 O TYR A 104 -22.309 23.142 -1.978 1.00 12.85 O +ANISOU 747 O TYR A 104 1989 1439 1452 -27 -700 36 O +ATOM 748 CB TYR A 104 -24.927 22.583 -3.763 1.00 12.62 C +ANISOU 748 CB TYR A 104 1782 1669 1343 344 -495 201 C +ATOM 749 CG TYR A 104 -25.394 22.905 -5.182 1.00 11.59 C +ANISOU 749 CG TYR A 104 1950 1179 1274 138 -560 0 C +ATOM 750 CD1 TYR A 104 -26.574 22.362 -5.700 1.00 11.98 C +ANISOU 750 CD1 TYR A 104 1717 1604 1231 216 -591 -56 C +ATOM 751 CD2 TYR A 104 -24.666 23.790 -5.991 1.00 13.44 C +ANISOU 751 CD2 TYR A 104 1908 1763 1434 155 -397 380 C +ATOM 752 CE1 TYR A 104 -27.017 22.678 -7.007 1.00 11.47 C +ANISOU 752 CE1 TYR A 104 1668 1397 1289 369 -485 130 C +ATOM 753 CE2 TYR A 104 -25.095 24.088 -7.312 1.00 14.07 C +ANISOU 753 CE2 TYR A 104 2113 1678 1555 66 -573 431 C +ATOM 754 CZ TYR A 104 -26.297 23.546 -7.784 1.00 13.18 C +ANISOU 754 CZ TYR A 104 1921 1426 1658 363 -425 85 C +ATOM 755 OH TYR A 104 -26.712 23.807 -9.080 1.00 14.97 O +ANISOU 755 OH TYR A 104 2270 1602 1814 318 -527 73 O +ATOM 756 N ARG A 105 -23.173 21.126 -1.448 1.00 12.14 N +ANISOU 756 N ARG A 105 2182 1262 1166 318 -331 36 N +ATOM 757 CA ARG A 105 -22.638 21.171 -0.071 1.00 13.34 C +ANISOU 757 CA ARG A 105 2378 1318 1371 267 -687 102 C +ATOM 758 C ARG A 105 -21.108 21.289 -0.046 1.00 13.91 C +ANISOU 758 C ARG A 105 2384 1309 1589 291 -835 -207 C +ATOM 759 O ARG A 105 -20.516 21.752 0.964 1.00 17.90 O +ANISOU 759 O ARG A 105 3098 2225 1478 207 -978 -296 O +ATOM 760 CB ARG A 105 -23.002 19.894 0.686 1.00 19.47 C +ANISOU 760 CB ARG A 105 3274 1711 2410 21 -386 571 C +ATOM 761 CG ARG A 105 -24.474 19.688 0.902 1.00 24.14 C +ANISOU 761 CG ARG A 105 3694 2521 2956 10 -154 824 C +ATOM 762 CD ARG A 105 -24.757 18.799 2.108 1.00 36.91 C +ANISOU 762 CD ARG A 105 5606 4919 3500 -1183 1549 1291 C +ATOM 763 NE ARG A 105 -26.099 18.249 1.994 1.00 37.62 N +ANISOU 763 NE ARG A 105 6411 4678 3204 -1333 186 671 N +ATOM 764 CZ ARG A 105 -26.356 16.956 1.875 0.50 36.67 C +ANISOU 764 CZ ARG A 105 5321 4201 4410 -401 -357 479 C +ATOM 765 NH1 ARG A 105 -25.358 16.073 1.880 0.50 28.47 N +ANISOU 765 NH1 ARG A 105 4890 3947 1980 -755 -1018 -898 N +ATOM 766 NH2 ARG A 105 -27.609 16.548 1.766 0.50 35.82 N +ANISOU 766 NH2 ARG A 105 4570 4266 4771 621 -605 1982 N +ATOM 767 N ASN A 106 -20.497 20.829 -1.143 1.00 13.70 N +ANISOU 767 N ASN A 106 2137 1415 1652 146 -490 176 N +ATOM 768 CA ASN A 106 -19.064 20.692 -1.293 1.00 13.67 C +ANISOU 768 CA ASN A 106 2317 1135 1742 243 -515 -96 C +ATOM 769 C ASN A 106 -18.429 21.804 -2.096 1.00 12.73 C +ANISOU 769 C ASN A 106 2149 1398 1288 206 -774 20 C +ATOM 770 O ASN A 106 -17.236 21.734 -2.407 1.00 15.41 O +ANISOU 770 O ASN A 106 2228 1587 2037 230 -796 -36 O +ATOM 771 CB ASN A 106 -18.777 19.310 -1.910 1.00 12.91 C +ANISOU 771 CB ASN A 106 2330 965 1608 292 -684 131 C +ATOM 772 CG ASN A 106 -18.905 18.215 -0.899 1.00 15.55 C +ANISOU 772 CG ASN A 106 2669 1203 2035 49 -1185 419 C +ATOM 773 OD1 ASN A 106 -19.928 17.499 -0.829 1.00 18.59 O +ANISOU 773 OD1 ASN A 106 2632 1985 2446 -146 -940 128 O +ATOM 774 ND2 ASN A 106 -17.898 18.087 -0.091 1.00 16.95 N +ANISOU 774 ND2 ASN A 106 2421 1467 2552 64 -1246 600 N +ATOM 775 N LEU A 107 -19.219 22.840 -2.426 1.00 13.23 N +ANISOU 775 N LEU A 107 2207 1225 1593 268 -691 -92 N +ATOM 776 CA LEU A 107 -18.708 24.016 -3.144 1.00 13.69 C +ANISOU 776 CA LEU A 107 2049 1264 1887 121 -870 32 C +ATOM 777 C LEU A 107 -18.558 25.220 -2.235 1.00 14.58 C +ANISOU 777 C LEU A 107 2456 1416 1668 -198 -659 -9 C +ATOM 778 O LEU A 107 -19.277 25.341 -1.238 1.00 16.54 O +ANISOU 778 O LEU A 107 2635 1403 2246 -132 -598 -182 O +ATOM 779 CB LEU A 107 -19.664 24.431 -4.273 1.00 13.20 C +ANISOU 779 CB LEU A 107 2094 1360 1558 99 -726 35 C +ATOM 780 CG LEU A 107 -20.039 23.305 -5.243 1.00 13.11 C +ANISOU 780 CG LEU A 107 1848 1614 1518 129 -751 -57 C +ATOM 781 CD1 LEU A 107 -21.078 23.793 -6.221 1.00 17.03 C +ANISOU 781 CD1 LEU A 107 2429 2003 2037 173 -1106 440 C +ATOM 782 CD2 LEU A 107 -18.812 22.771 -5.992 1.00 14.60 C +ANISOU 782 CD2 LEU A 107 1755 1744 2046 451 -544 175 C +ATOM 783 N VAL A 108 -17.657 26.129 -2.588 1.00 14.48 N +ANISOU 783 N VAL A 108 1915 1248 2338 -96 -995 148 N +ATOM 784 CA VAL A 108 -17.527 27.397 -1.845 1.00 16.27 C +ANISOU 784 CA VAL A 108 2552 1568 2062 48 -955 -103 C +ATOM 785 C VAL A 108 -18.851 28.186 -1.931 1.00 18.26 C +ANISOU 785 C VAL A 108 2591 1959 2388 92 -716 149 C +ATOM 786 O VAL A 108 -19.513 28.172 -2.975 1.00 17.46 O +ANISOU 786 O VAL A 108 2415 1896 2320 310 -571 281 O +ATOM 787 CB VAL A 108 -16.356 28.209 -2.388 1.00 17.17 C +ANISOU 787 CB VAL A 108 2362 1254 2906 121 -1025 187 C +ATOM 788 CG1 VAL A 108 -16.270 29.592 -1.727 1.00 20.21 C +ANISOU 788 CG1 VAL A 108 3074 1300 3301 -487 -613 54 C +ATOM 789 CG2 VAL A 108 -15.046 27.455 -2.150 1.00 18.12 C +ANISOU 789 CG2 VAL A 108 2476 1640 2768 398 -1009 59 C +ATOM 790 OXT VAL A 108 -19.318 28.816 -0.958 1.00 22.60 O +ANISOU 790 OXT VAL A 108 3589 2063 2932 323 -417 166 O +TER 791 VAL A 108 +HETATM 792 O3 NUT A 201 -23.667 5.839 -16.568 1.00 18.16 O +ANISOU 792 O3 NUT A 201 2971 1682 2248 136 -173 -588 O +HETATM 793 C25 NUT A 201 -23.015 6.538 -15.757 1.00 16.08 C +ANISOU 793 C25 NUT A 201 2123 1719 2267 314 -363 -344 C +HETATM 794 N2 NUT A 201 -21.695 6.402 -15.710 1.00 16.62 N +ANISOU 794 N2 NUT A 201 2187 2008 2117 154 56 -1030 N +HETATM 795 C29 NUT A 201 -21.006 5.564 -16.697 1.00 18.26 C +ANISOU 795 C29 NUT A 201 2767 2416 1753 405 -93 -1129 C +HETATM 796 C28 NUT A 201 -19.624 6.037 -17.066 1.00 21.25 C +ANISOU 796 C28 NUT A 201 3157 2714 2199 536 400 -787 C +HETATM 797 O2 NUT A 201 -19.027 5.438 -17.957 1.00 26.40 O +ANISOU 797 O2 NUT A 201 3704 3591 2733 1379 798 -838 O +HETATM 798 N3 NUT A 201 -19.096 7.088 -16.423 1.00 19.48 N +ANISOU 798 N3 NUT A 201 2555 2737 2107 -18 258 -379 N +HETATM 799 C27 NUT A 201 -19.765 7.777 -15.316 1.00 18.67 C +ANISOU 799 C27 NUT A 201 2451 2591 2049 -86 188 -350 C +HETATM 800 C26 NUT A 201 -20.851 6.955 -14.647 1.00 17.26 C +ANISOU 800 C26 NUT A 201 1996 2035 2527 -202 -446 -317 C +HETATM 801 N1 NUT A 201 -23.728 7.387 -14.970 1.00 13.52 N +ANISOU 801 N1 NUT A 201 2033 1394 1708 -58 -456 -184 N +HETATM 802 C10 NUT A 201 -25.032 7.173 -14.710 1.00 15.25 C +ANISOU 802 C10 NUT A 201 2213 1466 2112 -164 -146 -292 C +HETATM 803 C9 NUT A 201 -25.716 5.849 -14.559 1.00 13.04 C +ANISOU 803 C9 NUT A 201 2045 1190 1718 142 -301 -125 C +HETATM 804 C3 NUT A 201 -27.003 5.643 -15.033 1.00 15.29 C +ANISOU 804 C3 NUT A 201 2308 1346 2152 -343 -478 -226 C +HETATM 805 C2 NUT A 201 -27.636 4.390 -14.872 1.00 13.86 C +ANISOU 805 C2 NUT A 201 2166 1362 1735 -310 -648 -336 C +HETATM 806 C5 NUT A 201 -25.021 4.742 -13.878 1.00 12.69 C +ANISOU 806 C5 NUT A 201 1861 1362 1596 22 -523 5 C +HETATM 807 O1 NUT A 201 -23.751 4.950 -13.415 1.00 14.16 O +ANISOU 807 O1 NUT A 201 1996 1489 1895 66 -794 -20 O +HETATM 808 C6 NUT A 201 -23.077 3.927 -12.640 1.00 14.20 C +ANISOU 808 C6 NUT A 201 2041 1299 2053 187 -837 -266 C +HETATM 809 C8 NUT A 201 -22.445 2.900 -13.586 1.00 17.73 C +ANISOU 809 C8 NUT A 201 2325 1903 2506 434 -583 -502 C +HETATM 810 C7 NUT A 201 -22.063 4.596 -11.718 1.00 16.82 C +ANISOU 810 C7 NUT A 201 2163 1746 2481 -436 -911 -44 C +HETATM 811 C4 NUT A 201 -25.678 3.512 -13.732 1.00 13.78 C +ANISOU 811 C4 NUT A 201 1725 1650 1859 -280 -605 -223 C +HETATM 812 C1 NUT A 201 -26.973 3.348 -14.207 1.00 14.18 C +ANISOU 812 C1 NUT A 201 1738 1722 1927 -308 -598 -37 C +HETATM 813 O NUT A 201 -27.557 2.127 -14.022 1.00 15.19 O +ANISOU 813 O NUT A 201 1823 1762 2183 -300 -672 -257 O +HETATM 814 C NUT A 201 -28.863 1.822 -14.540 1.00 16.25 C +ANISOU 814 C NUT A 201 1824 1736 2613 -235 -905 -177 C +HETATM 815 C18 NUT A 201 -23.330 8.774 -14.740 1.00 15.90 C +ANISOU 815 C18 NUT A 201 2442 1522 2076 3 -340 -673 C +HETATM 816 C19 NUT A 201 -22.897 9.233 -13.374 1.00 13.46 C +ANISOU 816 C19 NUT A 201 1805 1625 1682 -85 -213 -131 C +HETATM 817 C24 NUT A 201 -22.198 10.451 -13.326 1.00 14.37 C +ANISOU 817 C24 NUT A 201 2078 1552 1830 31 -401 -386 C +HETATM 818 C23 NUT A 201 -21.867 10.994 -12.087 1.00 13.16 C +ANISOU 818 C23 NUT A 201 2292 1179 1528 162 -65 -192 C +HETATM 819 C22 NUT A 201 -22.260 10.321 -10.942 1.00 13.69 C +ANISOU 819 C22 NUT A 201 1981 1538 1681 16 -265 80 C +HETATM 820 CL1 NUT A 201 -21.928 11.079 -9.376 1.00 17.12 CL +ANISOU 820 CL1 NUT A 201 2523 1738 2243 286 -664 -259 CL +HETATM 821 C21 NUT A 201 -22.988 9.123 -10.942 1.00 13.60 C +ANISOU 821 C21 NUT A 201 1978 1403 1785 29 -219 -205 C +HETATM 822 C20 NUT A 201 -23.300 8.579 -12.190 1.00 13.58 C +ANISOU 822 C20 NUT A 201 1825 1687 1648 277 -303 -67 C +HETATM 823 C11 NUT A 201 -24.792 9.367 -15.038 1.00 15.99 C +ANISOU 823 C11 NUT A 201 2361 1668 2044 -45 -3 -155 C +HETATM 824 N NUT A 201 -25.707 8.251 -14.709 1.00 15.64 N +ANISOU 824 N NUT A 201 2003 1838 2100 4 -811 -79 N +HETATM 825 C12 NUT A 201 -25.194 10.617 -14.301 1.00 13.29 C +ANISOU 825 C12 NUT A 201 1863 1637 1548 132 -261 61 C +HETATM 826 C17 NUT A 201 -24.980 11.874 -14.865 1.00 14.98 C +ANISOU 826 C17 NUT A 201 1984 1418 2287 32 -363 -191 C +HETATM 827 C16 NUT A 201 -25.355 13.035 -14.145 1.00 14.37 C +ANISOU 827 C16 NUT A 201 1746 1685 2029 121 -477 -301 C +HETATM 828 C15 NUT A 201 -25.935 12.921 -12.864 1.00 14.91 C +ANISOU 828 C15 NUT A 201 2076 1661 1926 -8 -572 -400 C +HETATM 829 CL NUT A 201 -26.417 14.360 -11.915 1.00 18.16 CL +ANISOU 829 CL NUT A 201 2319 1785 2796 87 -444 -559 CL +HETATM 830 C14 NUT A 201 -26.156 11.677 -12.254 1.00 13.49 C +ANISOU 830 C14 NUT A 201 2027 1627 1470 291 -592 -256 C +HETATM 831 C13 NUT A 201 -25.791 10.528 -13.019 1.00 12.86 C +ANISOU 831 C13 NUT A 201 1829 1532 1523 54 -281 -353 C +HETATM 832 S SO4 A 202 -30.284 -1.594 -12.096 0.50 13.77 S +ANISOU 832 S SO4 A 202 2066 1664 1500 -571 -724 -244 S +HETATM 833 O1 SO4 A 202 -29.183 -2.189 -12.837 0.50 13.11 O +ANISOU 833 O1 SO4 A 202 2167 1241 1572 -773 -655 -163 O +HETATM 834 O2 SO4 A 202 -30.937 -0.509 -12.871 0.50 15.40 O +ANISOU 834 O2 SO4 A 202 2040 2226 1583 -452 -582 -115 O +HETATM 835 O3 SO4 A 202 -31.363 -2.531 -11.808 0.50 15.67 O +ANISOU 835 O3 SO4 A 202 2349 1899 1704 -773 -568 -353 O +HETATM 836 O4 SO4 A 202 -29.767 -1.053 -10.801 0.50 13.42 O +ANISOU 836 O4 SO4 A 202 2223 1473 1404 -888 -243 -436 O +HETATM 837 O HOH A 301 -32.477 2.910 -5.224 1.00 34.51 O +ANISOU 837 O HOH A 301 4486 4141 4482 330 760 -432 O +HETATM 838 O HOH A 302 -21.073 31.489 -11.536 1.00 17.23 O +ANISOU 838 O HOH A 302 2331 1973 2242 246 -115 565 O +HETATM 839 O HOH A 303 -28.315 7.881 -0.260 1.00 24.61 O +ANISOU 839 O HOH A 303 3254 3068 3029 229 -334 -370 O +HETATM 840 O HOH A 304 -11.555 25.940 -2.675 1.00 28.19 O +ANISOU 840 O HOH A 304 3214 3249 4247 -1106 -1134 -149 O +HETATM 841 O HOH A 305 -29.730 21.101 -5.749 1.00 13.16 O +ANISOU 841 O HOH A 305 1698 1615 1686 247 -146 19 O +HETATM 842 O HOH A 306 -15.713 19.652 -0.782 1.00 19.66 O +ANISOU 842 O HOH A 306 2857 2045 2565 -43 -734 -32 O +HETATM 843 O HOH A 307 -28.500 8.768 -14.299 1.00 18.91 O +ANISOU 843 O HOH A 307 2708 1626 2851 -38 -666 -371 O +HETATM 844 O HOH A 308 -25.168 25.427 -10.621 1.00 20.24 O +ANISOU 844 O HOH A 308 2953 2788 1950 242 -140 432 O +HETATM 845 O HOH A 309 -24.587 17.719 -15.272 1.00 21.13 O +ANISOU 845 O HOH A 309 3302 2548 2176 332 -205 -129 O +HETATM 846 O HOH A 310 -10.766 7.760 -0.518 1.00 28.31 O +ANISOU 846 O HOH A 310 3027 3048 4678 474 3 374 O +HETATM 847 O HOH A 311 -21.141 15.566 -17.125 1.00 29.85 O +ANISOU 847 O HOH A 311 4655 3946 2740 601 -573 -627 O +HETATM 848 O HOH A 312 -32.148 17.707 -3.033 1.00 21.56 O +ANISOU 848 O HOH A 312 3184 2036 2970 171 573 444 O +HETATM 849 O HOH A 313 -33.466 13.652 -7.152 1.00 21.11 O +ANISOU 849 O HOH A 313 2858 1808 3353 -38 25 288 O +HETATM 850 O HOH A 314 -33.854 14.693 -10.011 1.00 24.60 O +ANISOU 850 O HOH A 314 2446 2846 4055 12 -924 -521 O +HETATM 851 O HOH A 315 -25.641 29.157 -17.112 1.00 21.89 O +ANISOU 851 O HOH A 315 2699 3067 2551 11 421 336 O +HETATM 852 O HOH A 316 -35.294 15.304 -5.786 1.00 31.04 O +ANISOU 852 O HOH A 316 3191 3700 4900 -583 -110 644 O +HETATM 853 O HOH A 317 -23.175 1.109 -9.778 1.00 21.96 O +ANISOU 853 O HOH A 317 3277 2345 2720 270 -685 -569 O +HETATM 854 O HOH A 318 -23.057 30.053 -17.657 1.00 26.24 O +ANISOU 854 O HOH A 318 3865 3131 2974 132 -339 -52 O +HETATM 855 O HOH A 319 -20.580 1.417 0.149 1.00 24.10 O +ANISOU 855 O HOH A 319 3595 2609 2953 -358 -84 -3 O +HETATM 856 O HOH A 320 -32.776 -2.086 -9.425 1.00 32.27 O +ANISOU 856 O HOH A 320 4096 4343 3822 -757 -687 252 O +HETATM 857 O HOH A 321 -18.055 28.753 1.475 1.00 30.35 O +ANISOU 857 O HOH A 321 4258 4469 2804 551 -1115 -867 O +HETATM 858 O HOH A 322 -24.190 27.223 -8.864 0.50 20.53 O +ANISOU 858 O HOH A 322 2901 2331 2569 966 -469 481 O +HETATM 859 O HOH A 323 -23.655 15.375 -16.466 1.00 30.01 O +ANISOU 859 O HOH A 323 4355 3220 3824 783 -395 -304 O +HETATM 860 O HOH A 324 -15.726 27.437 1.823 1.00 22.18 O +ANISOU 860 O HOH A 324 2856 2745 2823 332 -197 378 O +HETATM 861 O HOH A 325 -11.629 27.687 -0.731 1.00 31.77 O +ANISOU 861 O HOH A 325 3130 4321 4620 -1120 -691 -506 O +HETATM 862 O HOH A 326 -19.575 22.553 -19.244 1.00 29.51 O +ANISOU 862 O HOH A 326 4268 4320 2624 1442 -7 195 O +HETATM 863 O HOH A 327 -16.548 8.467 -17.045 1.00 29.99 O +ANISOU 863 O HOH A 327 3080 3840 4474 -446 388 -456 O +HETATM 864 O HOH A 328 -13.520 28.845 1.130 1.00 24.91 O +ANISOU 864 O HOH A 328 3190 2743 3532 -405 -547 300 O +HETATM 865 O HOH A 329 -29.349 15.197 -1.178 1.00 32.78 O +ANISOU 865 O HOH A 329 3447 3782 5224 600 -925 260 O +HETATM 866 O HOH A 330 -26.516 9.472 -18.351 1.00 50.31 O +ANISOU 866 O HOH A 330 7703 6308 5103 -2268 -1195 113 O +HETATM 867 O HOH A 331 -30.647 -5.141 -11.193 1.00 35.43 O +ANISOU 867 O HOH A 331 4688 3215 5558 -915 -290 -127 O +HETATM 868 O HOH A 332 -29.739 8.406 -3.351 1.00 27.45 O +ANISOU 868 O HOH A 332 2298 4883 3249 309 434 -1055 O +HETATM 869 O HOH A 333 -32.615 18.315 -0.267 1.00 40.52 O +ANISOU 869 O HOH A 333 6030 5079 4286 809 984 942 O +HETATM 870 O HOH A 334 -18.096 10.668 -16.231 1.00 28.49 O +ANISOU 870 O HOH A 334 4670 3043 3109 -513 -835 381 O +HETATM 871 O HOH A 335 -30.545 6.891 -14.699 1.00 32.51 O +ANISOU 871 O HOH A 335 3147 3196 6009 384 -1526 -1547 O +HETATM 872 O HOH A 336 -32.667 22.729 -19.999 1.00 32.53 O +ANISOU 872 O HOH A 336 5165 4550 2643 682 -1754 426 O +HETATM 873 O HOH A 337 -36.133 21.855 -13.565 1.00 36.13 O +ANISOU 873 O HOH A 337 3511 5815 4401 2099 -422 -56 O +HETATM 874 O HOH A 338 -25.569 6.744 -18.311 1.00 28.01 O +ANISOU 874 O HOH A 338 4979 2401 3261 323 -1845 -228 O +HETATM 875 O HOH A 339 -8.396 8.049 -13.855 1.00 45.37 O +ANISOU 875 O HOH A 339 6279 5767 5191 -176 269 737 O +HETATM 876 O HOH A 340 -11.431 25.079 -6.093 1.00 32.32 O +ANISOU 876 O HOH A 340 3236 5063 3982 -1468 -562 307 O +HETATM 877 O HOH A 341 -7.181 20.220 -2.867 1.00 34.57 O +ANISOU 877 O HOH A 341 3073 4558 5502 198 185 -899 O +HETATM 878 O HOH A 342 -10.004 4.919 -0.158 1.00 50.44 O +ANISOU 878 O HOH A 342 6204 6340 6621 2196 -2392 1278 O +HETATM 879 O HOH A 343 -28.809 4.090 -1.785 1.00 32.90 O +ANISOU 879 O HOH A 343 3638 4156 4706 446 461 61 O +HETATM 880 O HOH A 344 -19.231 12.823 6.366 1.00 38.00 O +ANISOU 880 O HOH A 344 6775 4104 3556 477 -935 -599 O +HETATM 881 O HOH A 345 -18.635 20.640 3.113 1.00 32.80 O +ANISOU 881 O HOH A 345 4129 4621 3711 -373 -1433 1375 O +HETATM 882 O HOH A 346 -6.907 23.177 -3.075 1.00 44.92 O +ANISOU 882 O HOH A 346 5646 6470 4950 -2097 -501 -1141 O +HETATM 883 O HOH A 347 -19.141 27.767 3.847 1.00 37.34 O +ANISOU 883 O HOH A 347 4472 6030 3685 791 -625 1201 O +HETATM 884 O HOH A 348 -33.594 5.970 -7.211 1.00 36.08 O +ANISOU 884 O HOH A 348 2695 5361 5652 -742 -828 132 O +HETATM 885 O HOH A 349 -10.363 27.585 -5.098 1.00 43.47 O +ANISOU 885 O HOH A 349 4280 7131 5104 -2901 -449 1161 O +HETATM 886 O HOH A 350 -34.526 17.065 -3.765 1.00 31.34 O +ANISOU 886 O HOH A 350 3530 4849 3528 643 55 949 O +HETATM 887 O HOH A 351 -4.764 16.656 -11.744 1.00 37.65 O +ANISOU 887 O HOH A 351 3139 5195 5969 280 850 1057 O +HETATM 888 O HOH A 352 -35.090 20.640 -16.307 1.00 45.52 O +ANISOU 888 O HOH A 352 6261 4255 6779 -1692 -1525 -1257 O +HETATM 889 O HOH A 353 -17.124 3.085 8.159 1.00 41.49 O +ANISOU 889 O HOH A 353 5672 2939 7153 -204 -119 273 O +HETATM 890 O HOH A 354 -9.405 20.379 -16.286 1.00 41.02 O +ANISOU 890 O HOH A 354 5177 4847 5559 2138 204 529 O +HETATM 891 O HOH A 355 -5.656 14.860 -5.856 1.00 33.90 O +ANISOU 891 O HOH A 355 2167 6295 4418 164 -615 -355 O +HETATM 892 O HOH A 356 -26.202 13.562 2.174 1.00 32.86 O +ANISOU 892 O HOH A 356 3848 4175 4461 -98 -330 -65 O +HETATM 893 O HOH A 357 -9.487 9.363 -2.837 1.00 50.15 O +ANISOU 893 O HOH A 357 5017 7900 6135 -1643 -2375 987 O +HETATM 894 O HOH A 358 -35.358 11.214 -10.602 1.00 44.53 O +ANISOU 894 O HOH A 358 3633 6404 6880 -514 -2074 943 O +HETATM 895 O HOH A 359 -8.196 30.056 -7.599 1.00 51.55 O +ANISOU 895 O HOH A 359 4893 8162 6530 65 -732 1587 O +HETATM 896 O HOH A 360 -14.907 25.644 -17.050 1.00 38.67 O +ANISOU 896 O HOH A 360 5754 4282 4656 -892 1807 146 O +HETATM 897 O HOH A 361 -12.914 3.235 -2.055 1.00 35.19 O +ANISOU 897 O HOH A 361 4926 2272 6169 -60 -1323 562 O +HETATM 898 O HOH A 362 -25.253 8.876 6.253 1.00 36.55 O +ANISOU 898 O HOH A 362 5874 4510 3500 -796 1144 951 O +HETATM 899 O HOH A 363 -25.946 21.223 -20.748 1.00 44.95 O +ANISOU 899 O HOH A 363 8190 4360 4528 1877 -1029 -1023 O +HETATM 900 O HOH A 364 -25.606 17.054 -19.586 1.00 40.98 O +ANISOU 900 O HOH A 364 6687 4890 3994 -338 881 -707 O +HETATM 901 O HOH A 365 -23.867 30.951 -20.265 1.00 35.64 O +ANISOU 901 O HOH A 365 5348 4417 3775 633 719 1477 O +HETATM 902 O HOH A 366 -28.624 10.318 -17.108 1.00 40.10 O +ANISOU 902 O HOH A 366 6442 5388 3403 -351 -612 160 O +HETATM 903 O HOH A 367 -12.852 26.938 -15.528 1.00 43.55 O +ANISOU 903 O HOH A 367 5331 7146 4069 1441 1120 2072 O +HETATM 904 O HOH A 368 -11.989 1.523 -4.406 1.00 43.79 O +ANISOU 904 O HOH A 368 5596 3926 7115 1259 -2019 236 O +HETATM 905 O HOH A 369 -14.333 31.475 0.830 1.00 41.82 O +ANISOU 905 O HOH A 369 5424 3955 6509 -205 -1349 -642 O +HETATM 906 O HOH A 370 -17.552 -0.429 3.606 1.00 31.84 O +ANISOU 906 O HOH A 370 4464 2747 4887 -610 -829 667 O +HETATM 907 O HOH A 371 -20.412 4.362 5.912 1.00 41.17 O +ANISOU 907 O HOH A 371 6177 4048 5415 -173 -1354 -536 O +HETATM 908 O HOH A 372 -26.340 29.195 -19.677 1.00 35.96 O +ANISOU 908 O HOH A 372 4199 5136 4327 -377 -399 1929 O +HETATM 909 O HOH A 373 -17.876 5.529 5.038 1.00 44.48 O +ANISOU 909 O HOH A 373 6818 5474 4606 -1898 617 612 O +HETATM 910 O HOH A 374 -21.545 22.939 3.207 1.00 41.09 O +ANISOU 910 O HOH A 374 4938 6995 3679 1452 -327 -494 O +HETATM 911 O HOH A 375 -5.155 12.598 -4.137 1.00 52.93 O +ANISOU 911 O HOH A 375 6583 7587 5940 3281 -1561 -924 O +HETATM 912 O HOH A 376 -17.868 17.741 -19.527 1.00 46.26 O +ANISOU 912 O HOH A 376 7174 5611 4788 -33 -1863 2064 O +HETATM 913 O HOH A 377 -28.507 12.243 0.628 1.00 40.62 O +ANISOU 913 O HOH A 377 4008 4380 7043 -1668 749 -199 O +HETATM 914 O HOH A 378 -27.323 5.256 2.086 1.00 47.28 O +ANISOU 914 O HOH A 378 4643 8949 4371 -803 -824 2245 O +HETATM 915 O HOH A 379 -17.274 8.900 -19.929 1.00 51.37 O +ANISOU 915 O HOH A 379 7306 7331 4881 1723 831 82 O +HETATM 916 O HOH A 380 -2.647 11.654 -9.621 1.00 55.85 O +ANISOU 916 O HOH A 380 6743 4122 10356 602 905 757 O +HETATM 917 O HOH A 381 -25.077 13.669 -17.976 1.00 39.69 O +ANISOU 917 O HOH A 381 5668 5157 4253 -1282 -1001 432 O +HETATM 918 O HOH A 382 -3.705 12.473 -7.178 1.00 45.41 O +ANISOU 918 O HOH A 382 5811 3921 7519 608 -1372 -1032 O +HETATM 919 O HOH A 383 -20.580 28.794 -18.996 1.00 45.56 O +ANISOU 919 O HOH A 383 4571 8522 4217 -800 1309 -68 O +HETATM 920 O HOH A 384 -19.057 19.993 -20.347 1.00 45.70 O +ANISOU 920 O HOH A 384 6703 6822 3837 324 276 346 O +HETATM 921 O HOH A 385 -1.397 17.273 -19.788 1.00 53.73 O +ANISOU 921 O HOH A 385 9236 5997 5181 416 934 -1182 O +HETATM 922 O HOH A 386 -9.113 1.683 -2.526 1.00 53.38 O +ANISOU 922 O HOH A 386 7689 5315 7277 2133 -428 -1107 O +HETATM 923 O HOH A 387 -20.995 26.561 -20.478 1.00 43.70 O +ANISOU 923 O HOH A 387 5654 6354 4594 -939 861 -1520 O +HETATM 924 O HOH A 388 -0.317 19.473 -18.228 1.00 53.87 O +ANISOU 924 O HOH A 388 6532 7955 5978 1373 -209 849 O +HETATM 925 O HOH A 389 -15.864 2.562 -1.345 1.00 44.97 O +ANISOU 925 O HOH A 389 5124 6041 5921 -373 274 75 O +HETATM 926 O HOH A 390 -28.675 10.316 -1.608 1.00 33.55 O +ANISOU 926 O HOH A 390 5853 2668 4226 -485 -818 -806 O +HETATM 927 O HOH A 391 -29.290 15.834 -15.443 1.00 27.18 O +ANISOU 927 O HOH A 391 4908 1291 4125 903 149 -9 O +HETATM 928 O HOH A 392 -31.944 26.199 -19.260 1.00 26.05 O +ANISOU 928 O HOH A 392 2370 3523 4002 -586 687 -883 O +HETATM 929 O HOH A 393 -34.565 20.536 -11.717 1.00 22.82 O +ANISOU 929 O HOH A 393 2879 2967 2823 -567 -808 250 O +HETATM 930 O HOH A 394 -27.648 -1.487 -1.526 1.00 32.57 O +ANISOU 930 O HOH A 394 4992 4124 3257 -1093 64 -274 O +HETATM 931 O HOH A 395 -35.145 17.242 -10.864 1.00 41.48 O +ANISOU 931 O HOH A 395 4900 5597 5260 1494 -2590 -732 O +HETATM 932 O HOH A 396 -27.525 14.406 -16.717 1.00 41.22 O +ANISOU 932 O HOH A 396 3889 7188 4582 911 98 -88 O +HETATM 933 O HOH A 397 -8.370 11.218 -4.198 1.00 51.28 O +ANISOU 933 O HOH A 397 4047 7790 7648 1053 126 122 O +CONECT 792 793 +CONECT 793 792 794 801 +CONECT 794 793 795 800 +CONECT 795 794 796 +CONECT 796 795 797 798 +CONECT 797 796 +CONECT 798 796 799 +CONECT 799 798 800 +CONECT 800 794 799 +CONECT 801 793 802 815 +CONECT 802 801 803 824 +CONECT 803 802 804 806 +CONECT 804 803 805 +CONECT 805 804 812 +CONECT 806 803 807 811 +CONECT 807 806 808 +CONECT 808 807 809 810 +CONECT 809 808 +CONECT 810 808 +CONECT 811 806 812 +CONECT 812 805 811 813 +CONECT 813 812 814 +CONECT 814 813 +CONECT 815 801 816 823 +CONECT 816 815 817 822 +CONECT 817 816 818 +CONECT 818 817 819 +CONECT 819 818 820 821 +CONECT 820 819 +CONECT 821 819 822 +CONECT 822 816 821 +CONECT 823 815 824 825 +CONECT 824 802 823 +CONECT 825 823 826 831 +CONECT 826 825 827 +CONECT 827 826 828 +CONECT 828 827 829 830 +CONECT 829 828 +CONECT 830 828 831 +CONECT 831 825 830 +CONECT 832 833 834 835 836 +CONECT 833 832 +CONECT 834 832 +CONECT 835 832 +CONECT 836 832 +MASTER 308 0 2 5 4 0 7 6 886 1 45 8 +END diff --git a/data/targets/smoke_target.pdb b/data/targets/smoke_target.pdb new file mode 100644 index 0000000000000000000000000000000000000000..970c6b48a8af84e88f49970b079f3b5ce00aac9c --- /dev/null +++ b/data/targets/smoke_target.pdb @@ -0,0 +1,12 @@ +ATOM 1 N GLY A 1 11.104 13.207 9.348 1.00 20.00 N +ATOM 2 CA GLY A 1 12.560 13.286 9.460 1.00 20.00 C +ATOM 3 C GLY A 1 13.006 14.735 9.754 1.00 20.00 C +ATOM 4 O GLY A 1 12.258 15.666 9.401 1.00 20.00 O +ATOM 5 N ALA A 2 14.224 14.907 10.357 1.00 20.00 N +ATOM 6 CA ALA A 2 14.782 16.258 10.654 1.00 20.00 C +ATOM 7 C ALA A 2 16.252 16.306 10.963 1.00 20.00 C +ATOM 8 O ALA A 2 16.989 15.338 10.760 1.00 20.00 O +ATOM 9 N LEU A 3 16.667 17.440 11.484 1.00 20.00 N +ATOM 10 CA LEU A 3 18.052 17.613 11.833 1.00 20.00 C +TER +END