core.init: Rosetta version: rosetta.binary.linux.release-171 r171 2018.09+release.333d996 333d99699777cd6a50d1c1736bacd689f8f1d1df https://www.rosettacommons.org 2018-02-27T09:57:00.705373 core.init: command: /projectnb/liu-scc/rosetta/rosetta_bin_linux_2018.09.60072_bundle/main/source/bin/enzyme_design.static.linuxgccrelease -in:file:s EanBselenonine.pdb -resfile testResfile.txt -out:suffix _resout -ignore_zero_occupancy false -extra_res_fa selenoneine_output_ligand_file.params -enzdes::cstfile constraints.cst -overwrite core.init: 'RNG device' seed mode, using '/dev/urandom', seed=-1159013532 seed_offset=0 real_seed=-1159013532 core.init.random: RandomGenerator:init: Normal mode, seed=-1159013532 RG_type=mt19937 core.init: Resolved executable path: /projectnb2/liu-scc/rosetta/rosetta_bin_linux_2018.09.60072_bundle/main/source/build/src/release/linux/3.10/64/x86/gcc/4.8/static/enzyme_design.static.linuxgccrelease core.init: Looking for database based on location of executable: /projectnb2/liu-scc/rosetta/rosetta_bin_linux_2018.09.60072_bundle/main/database/ core.scoring.etable: Starting energy table calculation core.scoring.etable: smooth_etable: changing atr/rep split to bottom of energy well core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6) core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6) core.scoring.etable: Finished calculating energy tables. basic.io.database: Database file opened: scoring/score_functions/PairEPotential/pdb_pair_stats_fine basic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/HBPoly1D.csv basic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/HBFadeIntervals.csv basic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/HBEval.csv basic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/DonStrength.csv basic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/AccStrength.csv basic.io.database: Database file opened: scoring/score_functions/P_AA_pp/P_AA basic.io.database: Database file opened: scoring/score_functions/P_AA_pp/P_AA_n core.scoring.P_AA: shapovalov_lib::shap_p_aa_pp_smooth_level of 1( aka low_smooth ) got activated. basic.io.database: Database file opened: scoring/score_functions/P_AA_pp/shapovalov/10deg/kappa131/a20.prop basic.io.database: Database file opened: scoring/score_functions/omega/omega_ppdep.all.txt basic.io.database: Database file opened: scoring/score_functions/omega/omega_ppdep.gly.txt basic.io.database: Database file opened: scoring/score_functions/omega/omega_ppdep.pro.txt basic.io.database: Database file opened: scoring/score_functions/omega/omega_ppdep.valile.txt core.scoring.ramachandran: shapovalov_lib::shap_rama_smooth_level of 4( aka highest_smooth ) got activated. basic.io.database: Database file opened: scoring/score_functions/rama/shapovalov/kappa25/all.ramaProb core.scoring.etable: Starting energy table calculation core.scoring.etable: smooth_etable: changing atr/rep split to bottom of energy well core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6) core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6) core.scoring.etable: Finished calculating energy tables. core.chemical.GlobalResidueTypeSet: Finished initializing fa_standard residue type set. Created 604 residue types core.chemical.GlobalResidueTypeSet: Total time to initialize 0.72 seconds. core.scoring.ScoreFunctionFactory: [ WARNING ] ************************************************************************** ***************************************************** **************************************************** talaris2013_cst may be a 'talaris' scorefunction, but ScoreFunctionFactory thinks the -restore_talaris_behavior flags weren't set. Your scorefunction may be garbage! ************************************************************************** ***************************************************** **************************************************** protocols.jobdist.JobDistributors: Looking for an available job: 1 1 EanBselenonine.pdb 1 apps.public.enzdes.enzyme_design: Starting EanBselenonine_resout_0001 ... core.chemical.GlobalResidueTypeSet: Loading 'TP3' from the PDB components dictionary for residue type 'pdb_TP3' core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] skipping pdb residue b/c it's missing too many mainchain atoms: 25 P HIS HIS_D:NtermProteinFull:triazolamerC core.io.pose_from_sfr.PoseFromSFRBuilder: missing: CT1 core.io.pose_from_sfr.PoseFromSFRBuilder: Adding undetected lower terminus type to residue 2, 26 P core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 5 atoms at position 2 in file EanBselenonine.pdb. Best match rsd_type: LYS:NtermProteinFull core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 3 in file EanBselenonine.pdb. Best match rsd_type: ASN core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 4 in file EanBselenonine.pdb. Best match rsd_type: MET core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 5 in file EanBselenonine.pdb. Best match rsd_type: TYR core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 6 in file EanBselenonine.pdb. Best match rsd_type: ASP core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 7 in file EanBselenonine.pdb. Best match rsd_type: HIS_D core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 8 in file EanBselenonine.pdb. Best match rsd_type: THR core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 9 in file EanBselenonine.pdb. Best match rsd_type: GLU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 5 atoms at position 10 in file EanBselenonine.pdb. Best match rsd_type: ILE core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 11 in file EanBselenonine.pdb. Best match rsd_type: THR core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 12 in file EanBselenonine.pdb. Best match rsd_type: THR core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 13 in file EanBselenonine.pdb. Best match rsd_type: ASP core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 14 in file EanBselenonine.pdb. Best match rsd_type: SER core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 15 in file EanBselenonine.pdb. Best match rsd_type: LEU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 16 in file EanBselenonine.pdb. Best match rsd_type: LEU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 17 in file EanBselenonine.pdb. Best match rsd_type: ALA core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 18 in file EanBselenonine.pdb. Best match rsd_type: LEU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 19 in file EanBselenonine.pdb. Best match rsd_type: LEU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 20 in file EanBselenonine.pdb. Best match rsd_type: GLY core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 21 in file EanBselenonine.pdb. Best match rsd_type: SER core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 22 in file EanBselenonine.pdb. Best match rsd_type: GLU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 5 atoms at position 23 in file EanBselenonine.pdb. Best match rsd_type: LYS core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 24 in file EanBselenonine.pdb. Best match rsd_type: VAL core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 5 atoms at position 25 in file EanBselenonine.pdb. Best match rsd_type: LYS core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 5 atoms at position 26 in file EanBselenonine.pdb. Best match rsd_type: ILE core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 5 atoms at position 27 in file EanBselenonine.pdb. Best match rsd_type: ILE core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 28 in file EanBselenonine.pdb. Best match rsd_type: ASP core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 29 in file EanBselenonine.pdb. Best match rsd_type: VAL core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 4 atoms at position 30 in file EanBselenonine.pdb. Best match rsd_type: ARG core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 31 in file EanBselenonine.pdb. Best match rsd_type: SER core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 32 in file EanBselenonine.pdb. Best match rsd_type: ALA core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 33 in file EanBselenonine.pdb. Best match rsd_type: ASP core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 34 in file EanBselenonine.pdb. Best match rsd_type: ALA core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 35 in file EanBselenonine.pdb. Best match rsd_type: TYR core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 36 in file EanBselenonine.pdb. Best match rsd_type: ASN core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 37 in file EanBselenonine.pdb. Best match rsd_type: GLY core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 38 in file EanBselenonine.pdb. Best match rsd_type: TRP core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 4 atoms at position 39 in file EanBselenonine.pdb. Best match rsd_type: ARG core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 40 in file EanBselenonine.pdb. Best match rsd_type: MET core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 4 atoms at position 41 in file EanBselenonine.pdb. Best match rsd_type: ARG core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 42 in file EanBselenonine.pdb. Best match rsd_type: GLY core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 43 in file EanBselenonine.pdb. Best match rsd_type: GLU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 44 in file EanBselenonine.pdb. Best match rsd_type: VAL core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 4 atoms at position 45 in file EanBselenonine.pdb. Best match rsd_type: ARG core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 46 in file EanBselenonine.pdb. Best match rsd_type: GLY core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 47 in file EanBselenonine.pdb. Best match rsd_type: GLY core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 48 in file EanBselenonine.pdb. Best match rsd_type: HIS_D core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 5 atoms at position 49 in file EanBselenonine.pdb. Best match rsd_type: ILE core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 5 atoms at position 50 in file EanBselenonine.pdb. Best match rsd_type: LYS core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 51 in file EanBselenonine.pdb. Best match rsd_type: GLY core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 52 in file EanBselenonine.pdb. Best match rsd_type: ALA core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 5 atoms at position 53 in file EanBselenonine.pdb. Best match rsd_type: LYS core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 54 in file EanBselenonine.pdb. Best match rsd_type: SER core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 55 in file EanBselenonine.pdb. Best match rsd_type: LEU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 56 in file EanBselenonine.pdb. Best match rsd_type: PRO core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 57 in file EanBselenonine.pdb. Best match rsd_type: ALA core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 5 atoms at position 58 in file EanBselenonine.pdb. Best match rsd_type: LYS core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 59 in file EanBselenonine.pdb. Best match rsd_type: TRP core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 60 in file EanBselenonine.pdb. Best match rsd_type: LEU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 61 in file EanBselenonine.pdb. Best match rsd_type: THR core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 62 in file EanBselenonine.pdb. Best match rsd_type: ASP core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 63 in file EanBselenonine.pdb. Best match rsd_type: PRO core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 64 in file EanBselenonine.pdb. Best match rsd_type: GLU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 65 in file EanBselenonine.pdb. Best match rsd_type: TRP core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 66 in file EanBselenonine.pdb. Best match rsd_type: LEU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 67 in file EanBselenonine.pdb. Best match rsd_type: ASN core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 5 atoms at position 68 in file EanBselenonine.pdb. Best match rsd_type: ILE core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 69 in file EanBselenonine.pdb. Best match rsd_type: VAL core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 4 atoms at position 70 in file EanBselenonine.pdb. Best match rsd_type: ARG core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 71 in file EanBselenonine.pdb. Best match rsd_type: PHE core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 5 atoms at position 72 in file EanBselenonine.pdb. Best match rsd_type: LYS core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 73 in file EanBselenonine.pdb. Best match rsd_type: GLN core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 5 atoms at position 74 in file EanBselenonine.pdb. Best match rsd_type: ILE core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 4 atoms at position 75 in file EanBselenonine.pdb. Best match rsd_type: ARG core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 76 in file EanBselenonine.pdb. Best match rsd_type: PRO core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 77 in file EanBselenonine.pdb. Best match rsd_type: GLU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 78 in file EanBselenonine.pdb. Best match rsd_type: ASP core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 79 in file EanBselenonine.pdb. Best match rsd_type: ALA core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 5 atoms at position 80 in file EanBselenonine.pdb. Best match rsd_type: ILE core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 81 in file EanBselenonine.pdb. Best match rsd_type: VAL core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 82 in file EanBselenonine.pdb. Best match rsd_type: LEU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 83 in file EanBselenonine.pdb. Best match rsd_type: TYR core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 84 in file EanBselenonine.pdb. Best match rsd_type: GLY core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 85 in file EanBselenonine.pdb. Best match rsd_type: TYR core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 86 in file EanBselenonine.pdb. Best match rsd_type: THR core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 87 in file EanBselenonine.pdb. Best match rsd_type: PRO core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 88 in file EanBselenonine.pdb. Best match rsd_type: GLU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 89 in file EanBselenonine.pdb. Best match rsd_type: GLU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 90 in file EanBselenonine.pdb. Best match rsd_type: CYS core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 91 in file EanBselenonine.pdb. Best match rsd_type: GLU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 92 in file EanBselenonine.pdb. Best match rsd_type: GLN core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 93 in file EanBselenonine.pdb. Best match rsd_type: THR core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 94 in file EanBselenonine.pdb. Best match rsd_type: ALA core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 95 in file EanBselenonine.pdb. Best match rsd_type: THR core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 4 atoms at position 96 in file EanBselenonine.pdb. Best match rsd_type: ARG core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 97 in file EanBselenonine.pdb. Best match rsd_type: PHE core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 5 atoms at position 98 in file EanBselenonine.pdb. Best match rsd_type: LYS core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 99 in file EanBselenonine.pdb. Best match rsd_type: GLU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 100 in file EanBselenonine.pdb. Best match rsd_type: ASN core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 101 in file EanBselenonine.pdb. Best match rsd_type: GLY core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 102 in file EanBselenonine.pdb. Best match rsd_type: TYR core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 103 in file EanBselenonine.pdb. Best match rsd_type: ASN core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 104 in file EanBselenonine.pdb. Best match rsd_type: ASN core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 105 in file EanBselenonine.pdb. Best match rsd_type: VAL core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 106 in file EanBselenonine.pdb. Best match rsd_type: SER core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 107 in file EanBselenonine.pdb. Best match rsd_type: VAL core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 108 in file EanBselenonine.pdb. Best match rsd_type: PHE core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 109 in file EanBselenonine.pdb. Best match rsd_type: HIS_D core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 4 atoms at position 110 in file EanBselenonine.pdb. Best match rsd_type: ARG core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 111 in file EanBselenonine.pdb. Best match rsd_type: PHE core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 112 in file EanBselenonine.pdb. Best match rsd_type: HIS_D core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 113 in file EanBselenonine.pdb. Best match rsd_type: PRO core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 114 in file EanBselenonine.pdb. Best match rsd_type: ASP core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 115 in file EanBselenonine.pdb. Best match rsd_type: TRP core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 116 in file EanBselenonine.pdb. Best match rsd_type: THR core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 117 in file EanBselenonine.pdb. Best match rsd_type: GLY core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 118 in file EanBselenonine.pdb. Best match rsd_type: ASN core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 119 in file EanBselenonine.pdb. Best match rsd_type: ASP core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 120 in file EanBselenonine.pdb. Best match rsd_type: ALA core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 121 in file EanBselenonine.pdb. Best match rsd_type: PHE core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 122 in file EanBselenonine.pdb. Best match rsd_type: PRO core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 123 in file EanBselenonine.pdb. Best match rsd_type: MET core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 124 in file EanBselenonine.pdb. Best match rsd_type: ASP core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 4 atoms at position 125 in file EanBselenonine.pdb. Best match rsd_type: ARG core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 126 in file EanBselenonine.pdb. Best match rsd_type: LEU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 127 in file EanBselenonine.pdb. Best match rsd_type: GLU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 128 in file EanBselenonine.pdb. Best match rsd_type: GLN core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 129 in file EanBselenonine.pdb. Best match rsd_type: TYR core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 130 in file EanBselenonine.pdb. Best match rsd_type: ASN core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 4 atoms at position 131 in file EanBselenonine.pdb. Best match rsd_type: ARG core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 132 in file EanBselenonine.pdb. Best match rsd_type: LEU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 133 in file EanBselenonine.pdb. Best match rsd_type: VAL core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 134 in file EanBselenonine.pdb. Best match rsd_type: PRO core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 135 in file EanBselenonine.pdb. Best match rsd_type: ALA core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 136 in file EanBselenonine.pdb. Best match rsd_type: GLU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 137 in file EanBselenonine.pdb. Best match rsd_type: TRP core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 138 in file EanBselenonine.pdb. Best match rsd_type: VAL core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 139 in file EanBselenonine.pdb. Best match rsd_type: ASN core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 140 in file EanBselenonine.pdb. Best match rsd_type: GLY core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 141 in file EanBselenonine.pdb. Best match rsd_type: LEU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 5 atoms at position 142 in file EanBselenonine.pdb. Best match rsd_type: ILE core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 143 in file EanBselenonine.pdb. Best match rsd_type: SER core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 144 in file EanBselenonine.pdb. Best match rsd_type: GLY core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 145 in file EanBselenonine.pdb. Best match rsd_type: GLU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 146 in file EanBselenonine.pdb. Best match rsd_type: GLU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 5 atoms at position 147 in file EanBselenonine.pdb. Best match rsd_type: ILE core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 148 in file EanBselenonine.pdb. Best match rsd_type: PRO core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 149 in file EanBselenonine.pdb. Best match rsd_type: GLU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 150 in file EanBselenonine.pdb. Best match rsd_type: TYR core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 151 in file EanBselenonine.pdb. Best match rsd_type: ALA core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 152 in file EanBselenonine.pdb. Best match rsd_type: ASN core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 153 in file EanBselenonine.pdb. Best match rsd_type: ASP core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 154 in file EanBselenonine.pdb. Best match rsd_type: THR core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 155 in file EanBselenonine.pdb. Best match rsd_type: PHE core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 5 atoms at position 156 in file EanBselenonine.pdb. Best match rsd_type: ILE core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 157 in file EanBselenonine.pdb. Best match rsd_type: VAL core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 158 in file EanBselenonine.pdb. Best match rsd_type: CYS core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 159 in file EanBselenonine.pdb. Best match rsd_type: HIS_D core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 160 in file EanBselenonine.pdb. Best match rsd_type: ALA core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 161 in file EanBselenonine.pdb. Best match rsd_type: HIS_D core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 162 in file EanBselenonine.pdb. Best match rsd_type: TYR core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 4 atoms at position 163 in file EanBselenonine.pdb. Best match rsd_type: ARG core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 164 in file EanBselenonine.pdb. Best match rsd_type: ASN core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 4 atoms at position 165 in file EanBselenonine.pdb. Best match rsd_type: ARG core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 166 in file EanBselenonine.pdb. Best match rsd_type: ASP core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 167 in file EanBselenonine.pdb. Best match rsd_type: ALA core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 168 in file EanBselenonine.pdb. Best match rsd_type: TYR core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 169 in file EanBselenonine.pdb. Best match rsd_type: LEU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 170 in file EanBselenonine.pdb. Best match rsd_type: SER core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 171 in file EanBselenonine.pdb. Best match rsd_type: GLY core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 172 in file EanBselenonine.pdb. Best match rsd_type: HIS_D core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 5 atoms at position 173 in file EanBselenonine.pdb. Best match rsd_type: ILE core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 174 in file EanBselenonine.pdb. Best match rsd_type: PRO core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 175 in file EanBselenonine.pdb. Best match rsd_type: GLY core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 176 in file EanBselenonine.pdb. Best match rsd_type: ALA core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 177 in file EanBselenonine.pdb. Best match rsd_type: THR core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 178 in file EanBselenonine.pdb. Best match rsd_type: ASN core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 179 in file EanBselenonine.pdb. Best match rsd_type: MET core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 180 in file EanBselenonine.pdb. Best match rsd_type: ASP core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 181 in file EanBselenonine.pdb. Best match rsd_type: THR core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 182 in file EanBselenonine.pdb. Best match rsd_type: ASN core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 183 in file EanBselenonine.pdb. Best match rsd_type: ALA core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 184 in file EanBselenonine.pdb. Best match rsd_type: LEU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 185 in file EanBselenonine.pdb. Best match rsd_type: GLU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 186 in file EanBselenonine.pdb. Best match rsd_type: SER core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 187 in file EanBselenonine.pdb. Best match rsd_type: PRO core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 188 in file EanBselenonine.pdb. Best match rsd_type: GLU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 189 in file EanBselenonine.pdb. Best match rsd_type: THR core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 190 in file EanBselenonine.pdb. Best match rsd_type: TRP core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 191 in file EanBselenonine.pdb. Best match rsd_type: ASN core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 4 atoms at position 192 in file EanBselenonine.pdb. Best match rsd_type: ARG core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 4 atoms at position 193 in file EanBselenonine.pdb. Best match rsd_type: ARG core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 194 in file EanBselenonine.pdb. Best match rsd_type: THR core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 195 in file EanBselenonine.pdb. Best match rsd_type: PRO core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 196 in file EanBselenonine.pdb. Best match rsd_type: GLU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 197 in file EanBselenonine.pdb. Best match rsd_type: GLU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 198 in file EanBselenonine.pdb. Best match rsd_type: LEU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 5 atoms at position 199 in file EanBselenonine.pdb. Best match rsd_type: LYS core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 5 atoms at position 200 in file EanBselenonine.pdb. Best match rsd_type: LYS core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 201 in file EanBselenonine.pdb. Best match rsd_type: ALA core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 202 in file EanBselenonine.pdb. Best match rsd_type: LEU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 203 in file EanBselenonine.pdb. Best match rsd_type: GLU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 204 in file EanBselenonine.pdb. Best match rsd_type: GLU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 205 in file EanBselenonine.pdb. Best match rsd_type: HIS_D core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 206 in file EanBselenonine.pdb. Best match rsd_type: GLY core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 5 atoms at position 207 in file EanBselenonine.pdb. Best match rsd_type: ILE core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 208 in file EanBselenonine.pdb. Best match rsd_type: THR core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 209 in file EanBselenonine.pdb. Best match rsd_type: ALA core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 210 in file EanBselenonine.pdb. Best match rsd_type: SER core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 211 in file EanBselenonine.pdb. Best match rsd_type: THR core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 212 in file EanBselenonine.pdb. Best match rsd_type: THR core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 213 in file EanBselenonine.pdb. Best match rsd_type: VAL core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 214 in file EanBselenonine.pdb. Best match rsd_type: VAL core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 215 in file EanBselenonine.pdb. Best match rsd_type: LEU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 216 in file EanBselenonine.pdb. Best match rsd_type: TYR core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 217 in file EanBselenonine.pdb. Best match rsd_type: GLY core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 5 atoms at position 218 in file EanBselenonine.pdb. Best match rsd_type: LYS core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 219 in file EanBselenonine.pdb. Best match rsd_type: PHE core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 220 in file EanBselenonine.pdb. Best match rsd_type: MET core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 221 in file EanBselenonine.pdb. Best match rsd_type: HIS_D core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 222 in file EanBselenonine.pdb. Best match rsd_type: PRO core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 223 in file EanBselenonine.pdb. Best match rsd_type: ASP core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 224 in file EanBselenonine.pdb. Best match rsd_type: ASN core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 225 in file EanBselenonine.pdb. Best match rsd_type: ALA core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 226 in file EanBselenonine.pdb. Best match rsd_type: ASP core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 227 in file EanBselenonine.pdb. Best match rsd_type: GLU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 228 in file EanBselenonine.pdb. Best match rsd_type: PHE core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 229 in file EanBselenonine.pdb. Best match rsd_type: PRO core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 230 in file EanBselenonine.pdb. Best match rsd_type: GLY core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 231 in file EanBselenonine.pdb. Best match rsd_type: SER core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 232 in file EanBselenonine.pdb. Best match rsd_type: ALA core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 233 in file EanBselenonine.pdb. Best match rsd_type: ALA core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 234 in file EanBselenonine.pdb. Best match rsd_type: GLY core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 235 in file EanBselenonine.pdb. Best match rsd_type: HIS_D core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 5 atoms at position 236 in file EanBselenonine.pdb. Best match rsd_type: ILE core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 237 in file EanBselenonine.pdb. Best match rsd_type: GLY core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 238 in file EanBselenonine.pdb. Best match rsd_type: ALA core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 5 atoms at position 239 in file EanBselenonine.pdb. Best match rsd_type: ILE core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 4 atoms at position 240 in file EanBselenonine.pdb. Best match rsd_type: ARG core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 241 in file EanBselenonine.pdb. Best match rsd_type: LEU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 242 in file EanBselenonine.pdb. Best match rsd_type: ALA core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 243 in file EanBselenonine.pdb. Best match rsd_type: PHE core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 5 atoms at position 244 in file EanBselenonine.pdb. Best match rsd_type: ILE core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 245 in file EanBselenonine.pdb. Best match rsd_type: MET core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 246 in file EanBselenonine.pdb. Best match rsd_type: MET core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 247 in file EanBselenonine.pdb. Best match rsd_type: TYR core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 248 in file EanBselenonine.pdb. Best match rsd_type: ALA core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 249 in file EanBselenonine.pdb. Best match rsd_type: GLY core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 250 in file EanBselenonine.pdb. Best match rsd_type: VAL core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 251 in file EanBselenonine.pdb. Best match rsd_type: GLU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 252 in file EanBselenonine.pdb. Best match rsd_type: ASP core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 253 in file EanBselenonine.pdb. Best match rsd_type: VAL core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 4 atoms at position 254 in file EanBselenonine.pdb. Best match rsd_type: ARG core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 255 in file EanBselenonine.pdb. Best match rsd_type: VAL core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 256 in file EanBselenonine.pdb. Best match rsd_type: LEU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 257 in file EanBselenonine.pdb. Best match rsd_type: ASN core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 258 in file EanBselenonine.pdb. Best match rsd_type: GLY core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 259 in file EanBselenonine.pdb. Best match rsd_type: GLY core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 260 in file EanBselenonine.pdb. Best match rsd_type: TYR core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 261 in file EanBselenonine.pdb. Best match rsd_type: GLN core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 262 in file EanBselenonine.pdb. Best match rsd_type: SER core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 263 in file EanBselenonine.pdb. Best match rsd_type: TRP core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 264 in file EanBselenonine.pdb. Best match rsd_type: THR core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 265 in file EanBselenonine.pdb. Best match rsd_type: ASP core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 266 in file EanBselenonine.pdb. Best match rsd_type: ALA core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 267 in file EanBselenonine.pdb. Best match rsd_type: GLY core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 268 in file EanBselenonine.pdb. Best match rsd_type: PHE core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 269 in file EanBselenonine.pdb. Best match rsd_type: ALA core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 5 atoms at position 270 in file EanBselenonine.pdb. Best match rsd_type: ILE core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 271 in file EanBselenonine.pdb. Best match rsd_type: SER core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 5 atoms at position 272 in file EanBselenonine.pdb. Best match rsd_type: LYS core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 273 in file EanBselenonine.pdb. Best match rsd_type: ASP core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 274 in file EanBselenonine.pdb. Best match rsd_type: ASP core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 275 in file EanBselenonine.pdb. Best match rsd_type: VAL core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 276 in file EanBselenonine.pdb. Best match rsd_type: PRO core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 5 atoms at position 277 in file EanBselenonine.pdb. Best match rsd_type: LYS core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 278 in file EanBselenonine.pdb. Best match rsd_type: THR core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 279 in file EanBselenonine.pdb. Best match rsd_type: THR core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 280 in file EanBselenonine.pdb. Best match rsd_type: VAL core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 281 in file EanBselenonine.pdb. Best match rsd_type: PRO core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 282 in file EanBselenonine.pdb. Best match rsd_type: GLU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 283 in file EanBselenonine.pdb. Best match rsd_type: PHE core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 284 in file EanBselenonine.pdb. Best match rsd_type: GLY core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 285 in file EanBselenonine.pdb. Best match rsd_type: ALA core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 286 in file EanBselenonine.pdb. Best match rsd_type: PRO core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 5 atoms at position 287 in file EanBselenonine.pdb. Best match rsd_type: ILE core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 288 in file EanBselenonine.pdb. Best match rsd_type: PRO core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 289 in file EanBselenonine.pdb. Best match rsd_type: SER core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 4 atoms at position 290 in file EanBselenonine.pdb. Best match rsd_type: ARG core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 291 in file EanBselenonine.pdb. Best match rsd_type: PRO core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 292 in file EanBselenonine.pdb. Best match rsd_type: GLU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 293 in file EanBselenonine.pdb. Best match rsd_type: PHE core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 294 in file EanBselenonine.pdb. Best match rsd_type: ALA core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 295 in file EanBselenonine.pdb. Best match rsd_type: VAL core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 296 in file EanBselenonine.pdb. Best match rsd_type: ASP core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 5 atoms at position 297 in file EanBselenonine.pdb. Best match rsd_type: ILE core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 298 in file EanBselenonine.pdb. Best match rsd_type: ASP core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 299 in file EanBselenonine.pdb. Best match rsd_type: GLU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 300 in file EanBselenonine.pdb. Best match rsd_type: ALA core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 5 atoms at position 301 in file EanBselenonine.pdb. Best match rsd_type: LYS core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 302 in file EanBselenonine.pdb. Best match rsd_type: GLU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 303 in file EanBselenonine.pdb. Best match rsd_type: MET core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 304 in file EanBselenonine.pdb. Best match rsd_type: LEU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 305 in file EanBselenonine.pdb. Best match rsd_type: GLN core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 306 in file EanBselenonine.pdb. Best match rsd_type: SER core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 307 in file EanBselenonine.pdb. Best match rsd_type: GLU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 308 in file EanBselenonine.pdb. Best match rsd_type: ASP core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 309 in file EanBselenonine.pdb. Best match rsd_type: SER core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 310 in file EanBselenonine.pdb. Best match rsd_type: ASP core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 311 in file EanBselenonine.pdb. Best match rsd_type: LEU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 312 in file EanBselenonine.pdb. Best match rsd_type: VAL core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 313 in file EanBselenonine.pdb. Best match rsd_type: CYS core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 314 in file EanBselenonine.pdb. Best match rsd_type: VAL core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 4 atoms at position 315 in file EanBselenonine.pdb. Best match rsd_type: ARG core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 316 in file EanBselenonine.pdb. Best match rsd_type: SER core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 317 in file EanBselenonine.pdb. Best match rsd_type: TYR core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 318 in file EanBselenonine.pdb. Best match rsd_type: PRO core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 319 in file EanBselenonine.pdb. Best match rsd_type: GLU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 320 in file EanBselenonine.pdb. Best match rsd_type: TYR core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 5 atoms at position 321 in file EanBselenonine.pdb. Best match rsd_type: ILE core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 322 in file EanBselenonine.pdb. Best match rsd_type: GLY core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 323 in file EanBselenonine.pdb. Best match rsd_type: GLU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 324 in file EanBselenonine.pdb. Best match rsd_type: VAL core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 325 in file EanBselenonine.pdb. Best match rsd_type: SER core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 326 in file EanBselenonine.pdb. Best match rsd_type: GLY core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 327 in file EanBselenonine.pdb. Best match rsd_type: TYR core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 328 in file EanBselenonine.pdb. Best match rsd_type: ASN core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 329 in file EanBselenonine.pdb. Best match rsd_type: TYR core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 5 atoms at position 330 in file EanBselenonine.pdb. Best match rsd_type: ILE core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 5 atoms at position 331 in file EanBselenonine.pdb. Best match rsd_type: LYS core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 5 atoms at position 332 in file EanBselenonine.pdb. Best match rsd_type: LYS core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 5 atoms at position 333 in file EanBselenonine.pdb. Best match rsd_type: LYS core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 334 in file EanBselenonine.pdb. Best match rsd_type: GLY core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 4 atoms at position 335 in file EanBselenonine.pdb. Best match rsd_type: ARG core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 5 atoms at position 336 in file EanBselenonine.pdb. Best match rsd_type: ILE core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 337 in file EanBselenonine.pdb. Best match rsd_type: PRO core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 338 in file EanBselenonine.pdb. Best match rsd_type: GLY core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 339 in file EanBselenonine.pdb. Best match rsd_type: ALA core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 5 atoms at position 340 in file EanBselenonine.pdb. Best match rsd_type: ILE core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 341 in file EanBselenonine.pdb. Best match rsd_type: PHE core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 342 in file EanBselenonine.pdb. Best match rsd_type: ALA core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 343 in file EanBselenonine.pdb. Best match rsd_type: GLU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 344 in file EanBselenonine.pdb. Best match rsd_type: CYS core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 345 in file EanBselenonine.pdb. Best match rsd_type: GLY core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 346 in file EanBselenonine.pdb. Best match rsd_type: SER core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 347 in file EanBselenonine.pdb. Best match rsd_type: ASP core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 348 in file EanBselenonine.pdb. Best match rsd_type: ALA core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 349 in file EanBselenonine.pdb. Best match rsd_type: TYR core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 350 in file EanBselenonine.pdb. Best match rsd_type: HIS_D core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 351 in file EanBselenonine.pdb. Best match rsd_type: MET core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 352 in file EanBselenonine.pdb. Best match rsd_type: GLU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 353 in file EanBselenonine.pdb. Best match rsd_type: ASN core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 354 in file EanBselenonine.pdb. Best match rsd_type: TYR core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 4 atoms at position 355 in file EanBselenonine.pdb. Best match rsd_type: ARG core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 356 in file EanBselenonine.pdb. Best match rsd_type: ASN core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 357 in file EanBselenonine.pdb. Best match rsd_type: HIS_D core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 358 in file EanBselenonine.pdb. Best match rsd_type: ASP core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 359 in file EanBselenonine.pdb. Best match rsd_type: HIS_D core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 360 in file EanBselenonine.pdb. Best match rsd_type: THR core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 361 in file EanBselenonine.pdb. Best match rsd_type: THR core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 4 atoms at position 362 in file EanBselenonine.pdb. Best match rsd_type: ARG core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 363 in file EanBselenonine.pdb. Best match rsd_type: GLU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 364 in file EanBselenonine.pdb. Best match rsd_type: TYR core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 365 in file EanBselenonine.pdb. Best match rsd_type: HIS_D core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 366 in file EanBselenonine.pdb. Best match rsd_type: GLU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 5 atoms at position 367 in file EanBselenonine.pdb. Best match rsd_type: ILE core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 368 in file EanBselenonine.pdb. Best match rsd_type: GLU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 369 in file EanBselenonine.pdb. Best match rsd_type: ASP core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 5 atoms at position 370 in file EanBselenonine.pdb. Best match rsd_type: ILE core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 371 in file EanBselenonine.pdb. Best match rsd_type: TRP core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 372 in file EanBselenonine.pdb. Best match rsd_type: ALA core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 5 atoms at position 373 in file EanBselenonine.pdb. Best match rsd_type: LYS core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 374 in file EanBselenonine.pdb. Best match rsd_type: SER core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 375 in file EanBselenonine.pdb. Best match rsd_type: GLY core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 5 atoms at position 376 in file EanBselenonine.pdb. Best match rsd_type: ILE core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 5 atoms at position 377 in file EanBselenonine.pdb. Best match rsd_type: ILE core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 378 in file EanBselenonine.pdb. Best match rsd_type: PRO core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 5 atoms at position 379 in file EanBselenonine.pdb. Best match rsd_type: LYS core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 5 atoms at position 380 in file EanBselenonine.pdb. Best match rsd_type: LYS core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 381 in file EanBselenonine.pdb. Best match rsd_type: HIS_D core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 382 in file EanBselenonine.pdb. Best match rsd_type: LEU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 383 in file EanBselenonine.pdb. Best match rsd_type: ALA core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 384 in file EanBselenonine.pdb. Best match rsd_type: PHE core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 385 in file EanBselenonine.pdb. Best match rsd_type: TYR core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 386 in file EanBselenonine.pdb. Best match rsd_type: CYS core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 387 in file EanBselenonine.pdb. Best match rsd_type: GLY core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 388 in file EanBselenonine.pdb. Best match rsd_type: THR core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 389 in file EanBselenonine.pdb. Best match rsd_type: GLY core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 390 in file EanBselenonine.pdb. Best match rsd_type: TRP core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 4 atoms at position 391 in file EanBselenonine.pdb. Best match rsd_type: ARG core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 392 in file EanBselenonine.pdb. Best match rsd_type: GLY core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 393 in file EanBselenonine.pdb. Best match rsd_type: SER core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 394 in file EanBselenonine.pdb. Best match rsd_type: GLU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 395 in file EanBselenonine.pdb. Best match rsd_type: ALA core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 396 in file EanBselenonine.pdb. Best match rsd_type: TRP core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 397 in file EanBselenonine.pdb. Best match rsd_type: PHE core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 398 in file EanBselenonine.pdb. Best match rsd_type: ASN core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 399 in file EanBselenonine.pdb. Best match rsd_type: ALA core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 400 in file EanBselenonine.pdb. Best match rsd_type: LEU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 401 in file EanBselenonine.pdb. Best match rsd_type: LEU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 402 in file EanBselenonine.pdb. Best match rsd_type: MET core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 403 in file EanBselenonine.pdb. Best match rsd_type: GLY core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 404 in file EanBselenonine.pdb. Best match rsd_type: TRP core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 405 in file EanBselenonine.pdb. Best match rsd_type: PRO core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 4 atoms at position 406 in file EanBselenonine.pdb. Best match rsd_type: ARG core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 407 in file EanBselenonine.pdb. Best match rsd_type: VAL core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 408 in file EanBselenonine.pdb. Best match rsd_type: SER core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 409 in file EanBselenonine.pdb. Best match rsd_type: VAL core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 410 in file EanBselenonine.pdb. Best match rsd_type: TYR core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 411 in file EanBselenonine.pdb. Best match rsd_type: ASP core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 412 in file EanBselenonine.pdb. Best match rsd_type: GLY core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 413 in file EanBselenonine.pdb. Best match rsd_type: GLY core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 414 in file EanBselenonine.pdb. Best match rsd_type: TRP core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 415 in file EanBselenonine.pdb. Best match rsd_type: PHE core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 416 in file EanBselenonine.pdb. Best match rsd_type: GLU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 417 in file EanBselenonine.pdb. Best match rsd_type: TRP core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 418 in file EanBselenonine.pdb. Best match rsd_type: SER core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 419 in file EanBselenonine.pdb. Best match rsd_type: ASN core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 420 in file EanBselenonine.pdb. Best match rsd_type: ASP core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 421 in file EanBselenonine.pdb. Best match rsd_type: PRO core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 422 in file EanBselenonine.pdb. Best match rsd_type: GLU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 423 in file EanBselenonine.pdb. Best match rsd_type: ASN core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 424 in file EanBselenonine.pdb. Best match rsd_type: PRO core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 425 in file EanBselenonine.pdb. Best match rsd_type: TYR core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 426 in file EanBselenonine.pdb. Best match rsd_type: GLU core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 427 in file EanBselenonine.pdb. Best match rsd_type: THR core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 2 atoms at position 428 in file EanBselenonine.pdb. Best match rsd_type: GLY core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 1 atoms at position 429 in file EanBselenonine.pdb. Best match rsd_type: VAL core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 3 atoms at position 430 in file EanBselenonine.pdb. Best match rsd_type: PRO core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] discarding 7 atoms at position 431 in file EanBselenonine.pdb. Best match rsd_type: LYS:CtermProteinFull core.conformation.Conformation: [ WARNING ] missing heavyatom: O on residue LYS:CtermProteinFull 430 core.conformation.Conformation: [ WARNING ] missing heavyatom: OXT on residue LYS:CtermProteinFull 430 core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] can't find pose atom for file-residue 430 atom OT1 (trying to store temperature in PDBInfo) core.io.pose_from_sfr.PoseFromSFRBuilder: [ WARNING ] can't find pose atom for file-residue 430 atom OT2 (trying to store temperature in PDBInfo) protocols.enzdes.EnzdesFixBBProtocol: starting apply function... basic.io.database: Database file opened: scoring/score_functions/elec_cp_reps.dat core.scoring.elec.util: Read 40 countpair representative atoms core.pack.dunbrack.RotamerLibrary: shapovalov_lib_fixes_enable option is true. core.pack.dunbrack.RotamerLibrary: shapovalov_lib::shap_dun10_smooth_level of 1( aka lowest_smooth ) got activated. core.pack.dunbrack.RotamerLibrary: Binary rotamer library selected: /projectnb2/liu-scc/rosetta/rosetta_bin_linux_2018.09.60072_bundle/main/database/rotamer/shapovalov/StpDwn_0-0-0/Dunbrack10.lib.bin core.pack.dunbrack.RotamerLibrary: Using Dunbrack library binary file '/projectnb2/liu-scc/rosetta/rosetta_bin_linux_2018.09.60072_bundle/main/database/rotamer/shapovalov/StpDwn_0-0-0/Dunbrack10.lib.bin'. core.pack.dunbrack.RotamerLibrary: Dunbrack 2010 library took 0.24 seconds to load from binary core.pack.rotamers.SingleLigandRotamerLibrary: Read in 49 rotamers from selenoneine_output_ligand_file_conformers.pdb ! protocols.toolbox.match_enzdes_util.MatchConstraintFileIfo: [ WARNING ] No appropriate atoms found for entry 1 in constraint 1 protocols.toolbox.match_enzdes_util.MatchConstraintFileIfo: [ WARNING ] No appropriate atoms found for entry 1 in constraint 1 protocols.toolbox.match_enzdes_util.MatchConstraintFileIfo: [ WARNING ] No appropriate atoms found for entry 1 in constraint 1 protocols.toolbox.match_enzdes_util.EnzConstraintIO: read enzyme constraints from constraints.cst ... done, 3 cst blocks were read. protocols.toolbox.match_enzdes_util.EnzConstraintIO: Generating constraints for pose... protocols.toolbox.match_enzdes_util.EnzConstraintParameters: Constraint specified between residues 432 and 385 is ambiguous, 3 different possibilities ( 1 for 432, 3 for 385.) protocols.toolbox.match_enzdes_util.EnzConstraintParameters: for block 1, 3 newly generated constraints were added protocols.toolbox.match_enzdes_util.EnzConstraintIO: checking cst data consistency for block 1... done protocols.toolbox.match_enzdes_util.EnzConstraintIO: Cst Block 1done... protocols.toolbox.match_enzdes_util.EnzConstraintParameters: for block 2, 1 newly generated constraints were added protocols.toolbox.match_enzdes_util.EnzConstraintIO: checking cst data consistency for block 2... done protocols.toolbox.match_enzdes_util.EnzConstraintIO: Cst Block 2done... protocols.toolbox.match_enzdes_util.EnzConstraintParameters: for block 3, 1 newly generated constraints were added protocols.toolbox.match_enzdes_util.EnzConstraintIO: checking cst data consistency for block 3... done protocols.toolbox.match_enzdes_util.EnzConstraintIO: Cst Block 3done... protocols.enzdes.EnzdesBaseProtocol: Catalytic residues (pose numbering) are: 326 385 387 432 protocols.enzdes.EnzdesFixBBProtocol: Done setting up the task and constraints... core.pack.task: Packer task: initialize from command line() protocols.enzdes.EnzdesTaskOperations: Reading resfile input from: testResfile.txt protocols.enzdes.EnzdesTaskOperations: Final Design Shell Residues: protocols.enzdes.EnzdesTaskOperations: Final Repack Shell Residues: 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, 100, 101, 102, 103, 104, 105, 106, 107, 108, 109, 110, 111, 112, 113, 114, 115, 116, 117, 118, 119, 120, 121, 122, 123, 124, 125, 126, 127, 128, 129, 130, 131, 132, 133, 134, 135, 136, 137, 138, 139, 140, 141, 142, 143, 144, 145, 146, 147, 148, 149, 150, 151, 152, 153, 154, 155, 156, 157, 158, 159, 160, 161, 162, 163, 164, 165, 166, 167, 168, 169, 170, 171, 172, 173, 174, 175, 176, 177, 178, 179, 180, 181, 182, 183, 184, 185, 186, 187, 188, 189, 190, 191, 192, 193, 194, 195, 196, 197, 198, 199, 200, 201, 202, 203, 204, 205, 206, 207, 208, 209, 210, 211, 212, 213, 214, 215, 216, 217, 218, 219, 220, 221, 222, 223, 224, 225, 226, 227, 228, 229, 230, 231, 232, 233, 234, 235, 236, 237, 238, 239, 240, 241, 242, 243, 244, 245, 246, 247, 248, 249, 250, 251, 252, 253, 254, 255, 256, 257, 258, 259, 260, 261, 262, 263, 264, 265, 266, 267, 268, 269, 270, 271, 272, 273, 274, 275, 276, 277, 278, 279, 280, 281, 282, 283, 284, 285, 286, 287, 288, 289, 290, 291, 292, 293, 294, 295, 296, 297, 298, 299, 300, 301, 302, 303, 304, 305, 306, 307, 308, 309, 310, 311, 312, 313, 314, 315, 316, 317, 318, 319, 320, 321, 322, 323, 324, 325, 326, 327, 328, 329, 330, 331, 332, 333, 334, 335, 336, 337, 338, 339, 340, 341, 342, 343, 344, 345, 346, 347, 348, 349, 350, 351, 352, 353, 354, 355, 356, 357, 358, 359, 360, 361, 362, 363, 364, 365, 366, 367, 368, 369, 370, 371, 372, 373, 374, 375, 376, 377, 378, 379, 380, 381, 382, 383, 384, 385, 386, 387, 388, 389, 390, 391, 392, 393, 394, 395, 396, 397, 398, 399, 400, 401, 402, 403, 404, 405, 406, 407, 408, 409, 410, 411, 412, 413, 414, 415, 416, 417, 418, 419, 420, 421, 422, 423, 424, 425, 426, 427, 428, 429, 430, 431, 432, 433, 434, 435, 436, 437, 438, 439, 440, 441, protocols.enzdes.EnzdesFixBBProtocol: Starting after design unconstrained repack/minimization... core.pack.rotamers.SingleLigandRotamerLibrary: Added 98 rotamers for SeN core.pack.rotamer_set.rotamer_building_functions: water 433 nbrs: 432 431 414 411 410 390 389 388 387 386 348 328 327 326 240 239 236 235 233 232 231 230 229 228 227 226 225 200 196 192 191 190 189 188 187 186 185 184 183 182 181 180 179 178 167 166 164 163 162 161 160 159 438 439 434 435 436 441 437 build_water_rotamers seqpos= 433 found 3 nearby donors, 4 nearby acceptors. Built 21 rotamers. core.pack.rotamer_set.rotamer_building_functions: water 434 nbrs: 433 432 431 414 413 412 411 410 409 395 394 393 392 391 390 389 388 387 386 385 384 358 354 353 351 350 349 348 347 346 345 344 343 329 328 327 326 325 324 323 318 315 314 313 259 242 240 239 238 237 236 235 234 233 232 231 230 229 228 227 226 225 224 223 222 221 220 219 218 217 216 215 191 190 189 188 187 186 184 181 180 179 167 166 165 164 163 162 161 160 159 158 438 439 440 435 436 441 437 build_water_rotamers seqpos= 434 found 1 nearby donors, 2 nearby acceptors. Built 3 rotamers. core.pack.rotamer_set.rotamer_building_functions: water 435 nbrs: 434 433 432 418 417 416 415 414 413 412 411 390 389 388 387 386 385 384 349 348 347 346 345 334 332 331 330 329 328 327 326 325 324 323 321 319 318 317 315 314 239 236 235 233 232 231 230 229 228 227 226 225 224 223 222 221 220 219 189 188 187 186 180 162 161 439 440 436 441 437 build_water_rotamers seqpos= 435 found 2 nearby donors, 2 nearby acceptors. Built 8 rotamers. core.pack.rotamer_set.rotamer_building_functions: water 436 nbrs: 435 434 433 432 418 414 411 389 388 387 348 329 328 327 326 239 230 229 228 227 226 225 192 191 190 189 188 187 186 185 184 183 182 181 180 179 164 163 162 161 160 438 439 441 437 build_water_rotamers seqpos= 436 found 2 nearby donors, 2 nearby acceptors. Built 0 rotamers. core.pack.rotamer_set.RotamerSet_: [ WARNING ] including current in order to get at least 1 rotamer !!!!!! 436 TP3 core.pack.rotamer_set.rotamer_building_functions: water 437 nbrs: 436 435 434 433 432 414 390 389 387 349 348 347 346 328 327 326 259 240 239 237 236 235 234 233 232 231 230 229 228 227 226 225 224 223 222 221 220 219 218 217 216 215 189 187 186 184 182 181 180 179 178 177 169 168 167 166 165 164 163 162 161 160 159 158 438 441 build_water_rotamers seqpos= 437 found 2 nearby donors, 1 nearby acceptors. Built 2 rotamers. core.pack.rotamer_set.rotamer_building_functions: water 438 nbrs: 437 436 434 433 432 431 415 414 413 412 411 410 409 408 396 395 394 393 392 391 390 389 388 387 386 385 384 383 350 348 328 326 294 293 292 289 287 286 254 253 252 249 247 246 245 244 243 242 241 240 239 238 237 236 235 234 233 232 230 229 228 227 217 216 215 214 212 206 204 201 200 199 198 197 196 194 193 192 191 190 189 188 187 186 185 184 183 182 181 180 179 178 177 167 166 164 163 162 161 160 159 158 157 439 440 441 build_water_rotamers seqpos= 438 found 1 nearby donors, 0 nearby acceptors. Built 0 rotamers. core.pack.rotamer_set.RotamerSet_: [ WARNING ] including current in order to get at least 1 rotamer !!!!!! 438 TP3 core.pack.rotamer_set.rotamer_building_functions: water 439 nbrs: 438 436 435 434 433 432 431 424 422 421 419 418 417 416 415 414 413 412 411 410 409 408 407 395 394 393 392 391 390 389 388 387 386 385 384 383 382 348 347 335 334 332 331 330 329 328 327 326 325 324 318 314 313 312 300 299 298 296 295 294 293 292 246 243 242 240 239 238 236 235 232 229 228 227 226 193 192 191 190 189 188 187 186 185 184 183 181 180 162 161 440 441 build_water_rotamers seqpos= 439 found 0 nearby donors, 5 nearby acceptors. Built 4 rotamers. core.pack.rotamer_set.rotamer_building_functions: water 440 nbrs: 439 438 435 434 432 431 424 422 418 417 416 415 414 413 412 411 410 409 408 407 406 405 398 397 396 395 394 393 392 391 390 389 388 387 386 385 384 383 382 381 353 350 349 348 347 343 341 340 339 338 335 334 333 332 331 329 328 326 325 324 319 318 316 315 314 313 312 311 310 309 303 302 300 299 298 297 296 295 294 293 292 289 246 243 242 239 238 236 235 232 229 227 192 191 190 189 188 187 185 184 183 180 161 441 build_water_rotamers seqpos= 440 found 3 nearby donors, 1 nearby acceptors. Built 7 rotamers. core.pack.rotamer_set.rotamer_building_functions: water 441 nbrs: 440 439 438 437 436 435 434 433 432 431 414 413 412 411 410 409 408 393 392 391 390 389 388 387 386 385 348 347 328 327 326 246 244 243 242 241 240 239 238 237 236 235 234 233 232 231 230 229 228 227 226 225 221 219 217 216 215 214 204 200 197 196 192 191 190 189 188 187 186 185 184 183 182 181 180 179 178 177 167 166 165 164 163 162 161 160 159 158 build_water_rotamers seqpos= 441 found 1 nearby donors, 3 nearby acceptors. Built 7 rotamers. core.pack.pack_rotamers: built 5025 rotamers at 441 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph core.pack.interaction_graph.interaction_graph_factory: IG: 5058420 bytes protocols.enzdes.EnzdesFixBBProtocol: Finished after design unconstrained repack/minimization... apps.public.enzdes.enzyme_design: Finished EanBselenonine_resout_0001 in 6 seconds. apps.public.enzdes.enzyme_design: Finished all 1 structures in 9 seconds.