# command:# Prefix for input files set to /projects/compbio/experiments/undertaker/atoms-inputs/ # command:# reading dunbrack-2191.atoms # #computed average backbone with maximum peptide_sq_deviance = 0.002 # computed average trans backbone unit from 53157 examples # computed average trans backbone unit before proline from 2010 examples # computed average cis backbone unit from 97 examples # trans (non-proline) backbone unit: # CA= -2.2087 1.0126 -0.0030 # O= -0.1499 2.2440 0.0016 # C= -0.6889 1.1368 -0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4581 -0.0000 0.0000 # cis backbone unit: # CA= -0.1436 2.4534 -0.0002 # O= -2.0284 0.9742 0.0015 # C= -0.8018 1.0771 -0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4668 0.0000 0.0000 # trans backbone unit before proline: # CA= -2.2100 1.0631 -0.0014 # O= -0.1236 2.2458 0.0075 # C= -0.6872 1.1517 -0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4660 0.0000 0.0000 # After reading dunbrack-2191.atoms have 2191 chains in training database # Count of chains,residues,atoms: 2191,500310,3902258 # 493341 residues have no bad marker # 3226 residues lack atoms needed to compute omega # 1453 residues have cis peptide # number of each bad type: # NON_STANDARD_RESIDUE 4 # HAS_OXT 1167 # TOO_MANY_ATOMS 1 # TOO_FEW_ATOMS 3052 # HAS_UNKNOWN_ATOMS 9 # HAS_DUPLICATE_ATOMS 0 # CHAIN_BREAK_BEFORE 979 # NON_PLANAR_PEPTIDE 888 # BAD_PEPTIDE 2680 # Note: may sum to more than number of residues, # because one residue may have multiple problems # command:# Reading rotamer library from dunbrack-2191.rot # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/spots/ # command:# ReadAtomType exp-pdb.types Read AtomType exp-pdb with 49 types. # command:# ReadClashTable exp-pdb-2191-2symm.clash # Read ClashTable exp-pdb-2191-2symm checking bonds symmetric at MaxSep 2 # command:# command:# Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0378/ # command:# Making conformation for sequence T0378 numbered 1 through 254 Created new target T0378 from T0378.a2m # command:# Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0378/ # command:# Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0378/ # command:# reading script from file servers-clean.under # Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0378/decoys/ # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS3 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS5 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # ReadConformPDB reading from PDB file servers/3Dpro_TS1.pdb.gz looking for model 1 # choosing archetypes in rotamer library # Found a chain break before 105 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # ReadConformPDB reading from PDB file servers/3Dpro_TS2.pdb.gz looking for model 1 # Found a chain break before 40 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # ReadConformPDB reading from PDB file servers/3Dpro_TS3.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # ReadConformPDB reading from PDB file servers/3Dpro_TS4.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # ReadConformPDB reading from PDB file servers/3Dpro_TS5.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # ReadConformPDB reading from PDB file servers/ABIpro_TS1.pdb.gz looking for model 1 # Found a chain break before 249 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # ReadConformPDB reading from PDB file servers/ABIpro_TS2.pdb.gz looking for model 1 # Found a chain break before 199 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # ReadConformPDB reading from PDB file servers/ABIpro_TS3.pdb.gz looking for model 1 # Found a chain break before 239 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # ReadConformPDB reading from PDB file servers/ABIpro_TS4.pdb.gz looking for model 1 # Found a chain break before 205 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # ReadConformPDB reading from PDB file servers/ABIpro_TS5.pdb.gz looking for model 1 # Found a chain break before 234 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # ReadConformPDB reading from PDB file servers/BayesHH_TS1.pdb.gz looking for model 1 # Found a chain break before 190 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS1.pdb.gz looking for model 1 # Found a chain break before 253 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS2.pdb.gz looking for model 1 # Found a chain break before 177 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS3.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS4.pdb.gz looking for model 1 # Found a chain break before 186 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS5.pdb.gz looking for model 1 # Found a chain break before 186 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # Found a chain break before 244 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # ReadConformPDB reading from PDB file servers/CIRCLE_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS2 # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # Found a chain break before 224 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS3 # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # Found a chain break before 244 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS4 # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS5 # ReadConformPDB reading from PDB file servers/CPHmodels_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation CPHmodels_TS1 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # Found a chain break before 233 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS1 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS2 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # ReadConformPDB reading from PDB file servers/Distill_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # ReadConformPDB reading from PDB file servers/Distill_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # ReadConformPDB reading from PDB file servers/Distill_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # ReadConformPDB reading from PDB file servers/Distill_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # ReadConformPDB reading from PDB file servers/Distill_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # ReadConformPDB reading from PDB file servers/FAMSD_TS1.pdb.gz looking for model 1 # Found a chain break before 191 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # ReadConformPDB reading from PDB file servers/FAMSD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS2 # ReadConformPDB reading from PDB file servers/FAMSD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation FAMSD_TS3 # ReadConformPDB reading from PDB file servers/FAMSD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation FAMSD_TS4 # ReadConformPDB reading from PDB file servers/FAMSD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation FAMSD_TS5 # ReadConformPDB reading from PDB file servers/FAMS_TS1.pdb.gz looking for model 1 # Found a chain break before 234 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation FAMS_TS2 # ReadConformPDB reading from PDB file servers/FAMS_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation FAMS_TS3 # ReadConformPDB reading from PDB file servers/FAMS_TS4.pdb.gz looking for model 1 # Found a chain break before 244 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # ReadConformPDB reading from PDB file servers/FAMS_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation FAMS_TS5 # ReadConformPDB reading from PDB file servers/FOLDpro_TS1.pdb.gz looking for model 1 # Found a chain break before 176 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # ReadConformPDB reading from PDB file servers/FOLDpro_TS2.pdb.gz looking for model 1 # Found a chain break before 176 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # ReadConformPDB reading from PDB file servers/FOLDpro_TS3.pdb.gz looking for model 1 # Found a chain break before 196 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # ReadConformPDB reading from PDB file servers/FOLDpro_TS4.pdb.gz looking for model 1 # Found a chain break before 176 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # ReadConformPDB reading from PDB file servers/FOLDpro_TS5.pdb.gz looking for model 1 # Found a chain break before 176 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # ReadConformPDB reading from PDB file servers/FORTE1_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # ReadConformPDB reading from PDB file servers/FORTE1_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # ReadConformPDB reading from PDB file servers/FORTE1_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # ReadConformPDB reading from PDB file servers/FORTE1_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # ReadConformPDB reading from PDB file servers/FORTE1_AL5.pdb.gz looking for model 1 Skipped atom 498, because occupancy 1 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 500, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 502, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 504, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 506, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 508, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 510, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 512, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 514, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 516, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 518, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 520, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 522, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 524, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 526, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 528, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 530, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 532, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 534, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 536, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # ReadConformPDB reading from PDB file servers/FORTE2_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # ReadConformPDB reading from PDB file servers/FORTE2_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # ReadConformPDB reading from PDB file servers/FORTE2_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # ReadConformPDB reading from PDB file servers/FORTE2_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # ReadConformPDB reading from PDB file servers/FORTE2_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS1.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS2.pdb.gz looking for model 1 # Found a chain break before 216 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS3.pdb.gz looking for model 1 # Found a chain break before 188 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS4.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS5.pdb.gz looking for model 1 # Found a chain break before 173 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # ReadConformPDB reading from PDB file servers/FUGUE_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # ReadConformPDB reading from PDB file servers/FUGUE_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # ReadConformPDB reading from PDB file servers/FUGUE_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # ReadConformPDB reading from PDB file servers/FUGUE_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # ReadConformPDB reading from PDB file servers/FUGUE_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # ReadConformPDB reading from PDB file servers/FUNCTION_TS1.pdb.gz looking for model 1 # Found a chain break before 247 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # ReadConformPDB reading from PDB file servers/FUNCTION_TS2.pdb.gz looking for model 1 # Found a chain break before 251 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # ReadConformPDB reading from PDB file servers/FUNCTION_TS3.pdb.gz looking for model 1 # Found a chain break before 253 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # ReadConformPDB reading from PDB file servers/FUNCTION_TS4.pdb.gz looking for model 1 # Found a chain break before 253 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # ReadConformPDB reading from PDB file servers/FUNCTION_TS5.pdb.gz looking for model 1 # Found a chain break before 251 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # ReadConformPDB reading from PDB file servers/Frankenstein_TS1.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS1 # ReadConformPDB reading from PDB file servers/Frankenstein_TS2.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS2 # ReadConformPDB reading from PDB file servers/Frankenstein_TS3.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS3 # ReadConformPDB reading from PDB file servers/Frankenstein_TS4.pdb.gz looking for model 1 # Found a chain break before 245 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS4 # ReadConformPDB reading from PDB file servers/Frankenstein_TS5.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS5 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # Found a chain break before 190 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS1 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS2 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS3 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # Found a chain break before 235 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS4 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS5 # ReadConformPDB reading from PDB file servers/HHpred1_TS1.pdb.gz looking for model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # ReadConformPDB reading from PDB file servers/HHpred2_TS1.pdb.gz looking for model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # ReadConformPDB reading from PDB file servers/HHpred3_TS1.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # ReadConformPDB reading from PDB file servers/LOOPP_TS1.pdb.gz looking for model 1 # Found a chain break before 205 # copying to AlignedFragments data structure # naming current conformation LOOPP_TS1 # ReadConformPDB reading from PDB file servers/LOOPP_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # ReadConformPDB reading from PDB file servers/LOOPP_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation LOOPP_TS3 # ReadConformPDB reading from PDB file servers/LOOPP_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # ReadConformPDB reading from PDB file servers/LOOPP_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # ReadConformPDB reading from PDB file servers/MIG_FROST_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation MIG_FROST_AL1 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS1.pdb.gz looking for model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS1 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS2.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS2 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS3.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS3 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS4.pdb.gz looking for model 1 # Found a chain break before 190 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS4 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS5.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS5 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # Found a chain break before 190 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS2.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS3.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS4.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS5.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # ReadConformPDB reading from PDB file servers/MetaTasser_TS1.pdb.gz looking for model 1 # Found a chain break before 235 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # ReadConformPDB reading from PDB file servers/MetaTasser_TS2.pdb.gz looking for model 1 # Found a chain break before 236 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # ReadConformPDB reading from PDB file servers/MetaTasser_TS3.pdb.gz looking for model 1 # Found a chain break before 229 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # ReadConformPDB reading from PDB file servers/MetaTasser_TS4.pdb.gz looking for model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # ReadConformPDB reading from PDB file servers/MetaTasser_TS5.pdb.gz looking for model 1 # Found a chain break before 235 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # Found a chain break before 205 # copying to AlignedFragments data structure # naming current conformation NN_PUT_lab_TS1 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS1.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS1 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS2.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS2 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS3.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS3 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS4.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS4 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS5.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS5 # ReadConformPDB reading from PDB file servers/PROTINFO_TS1.pdb.gz looking for model 1 # Found a chain break before 196 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # Found a chain break before 230 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # Found a chain break before 230 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # ReadConformPDB reading from PDB file servers/PROTINFO_TS4.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS4 # ReadConformPDB reading from PDB file servers/PROTINFO_TS5.pdb.gz looking for model 1 # Found a chain break before 231 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # ReadConformPDB reading from PDB file servers/Pcons6_TS1.pdb.gz looking for model 1 # Found a chain break before 253 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS1 # ReadConformPDB reading from PDB file servers/Pcons6_TS2.pdb.gz looking for model 1 # Found a chain break before 253 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS2 # ReadConformPDB reading from PDB file servers/Pcons6_TS3.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS3 # ReadConformPDB reading from PDB file servers/Pcons6_TS4.pdb.gz looking for model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS4 # ReadConformPDB reading from PDB file servers/Pcons6_TS5.pdb.gz looking for model 1 # Found a chain break before 235 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS5 # ReadConformPDB reading from PDB file servers/Phyre-1_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # ReadConformPDB reading from PDB file servers/Phyre-2_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS1 # ReadConformPDB reading from PDB file servers/Phyre-2_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS2 # ReadConformPDB reading from PDB file servers/Phyre-2_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS3 # ReadConformPDB reading from PDB file servers/Phyre-2_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS4 # ReadConformPDB reading from PDB file servers/Phyre-2_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS5 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # Found a chain break before 235 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # Found a chain break before 235 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS3.pdb.gz looking for model 1 # Found a chain break before 253 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS3 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS4.pdb.gz looking for model 1 # Found a chain break before 235 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS4 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS5.pdb.gz looking for model 1 # Found a chain break before 235 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS5 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS1.pdb.gz looking for model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS2.pdb.gz looking for model 1 # Found a chain break before 48 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS3.pdb.gz looking for model 1 # Found a chain break before 226 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS4.pdb.gz looking for model 1 # Found a chain break before 234 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS5.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # ReadConformPDB reading from PDB file servers/RAPTORESS_TS1.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # ReadConformPDB reading from PDB file servers/RAPTORESS_TS2.pdb.gz looking for model 1 # Found a chain break before 223 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # ReadConformPDB reading from PDB file servers/RAPTORESS_TS3.pdb.gz looking for model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # ReadConformPDB reading from PDB file servers/RAPTORESS_TS4.pdb.gz looking for model 1 # Found a chain break before 237 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # ReadConformPDB reading from PDB file servers/RAPTORESS_TS5.pdb.gz looking for model 1 # Found a chain break before 208 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # ReadConformPDB reading from PDB file servers/RAPTOR_TS1.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # ReadConformPDB reading from PDB file servers/RAPTOR_TS2.pdb.gz looking for model 1 # Found a chain break before 190 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # ReadConformPDB reading from PDB file servers/RAPTOR_TS3.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # ReadConformPDB reading from PDB file servers/RAPTOR_TS4.pdb.gz looking for model 1 # Found a chain break before 181 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # ReadConformPDB reading from PDB file servers/RAPTOR_TS5.pdb.gz looking for model 1 # Found a chain break before 206 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # ReadConformPDB reading from PDB file servers/ROBETTA_TS1.pdb.gz looking for model 1 # Found a chain break before 159 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # ReadConformPDB reading from PDB file servers/ROBETTA_TS2.pdb.gz looking for model 1 # Found a chain break before 224 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # ReadConformPDB reading from PDB file servers/ROBETTA_TS3.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # ReadConformPDB reading from PDB file servers/ROBETTA_TS4.pdb.gz looking for model 1 # Found a chain break before 228 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # ReadConformPDB reading from PDB file servers/ROBETTA_TS5.pdb.gz looking for model 1 # Found a chain break before 190 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # ReadConformPDB reading from PDB file servers/ROKKY_TS1.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # ReadConformPDB reading from PDB file servers/SAM-T02_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # ReadConformPDB reading from PDB file servers/SAM-T02_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # ReadConformPDB reading from PDB file servers/SAM-T02_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # ReadConformPDB reading from PDB file servers/SAM-T02_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # ReadConformPDB reading from PDB file servers/SAM-T02_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # ReadConformPDB reading from PDB file servers/SAM-T99_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # ReadConformPDB reading from PDB file servers/SAM-T99_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL2 # ReadConformPDB reading from PDB file servers/SAM-T99_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL3 # ReadConformPDB reading from PDB file servers/SAM-T99_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL4 # ReadConformPDB reading from PDB file servers/SAM-T99_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL5 # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 238 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # ReadConformPDB reading from PDB file servers/SP3_TS1.pdb.gz looking for model 1 # Found a chain break before 234 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # ReadConformPDB reading from PDB file servers/SP3_TS2.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # ReadConformPDB reading from PDB file servers/SP3_TS3.pdb.gz looking for model 1 # Found a chain break before 202 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # ReadConformPDB reading from PDB file servers/SP3_TS4.pdb.gz looking for model 1 # Found a chain break before 187 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # ReadConformPDB reading from PDB file servers/SP3_TS5.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # ReadConformPDB reading from PDB file servers/SP4_TS1.pdb.gz looking for model 1 # Found a chain break before 187 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # ReadConformPDB reading from PDB file servers/SP4_TS2.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # ReadConformPDB reading from PDB file servers/SP4_TS3.pdb.gz looking for model 1 # Found a chain break before 202 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # ReadConformPDB reading from PDB file servers/SP4_TS4.pdb.gz looking for model 1 # naming current conformation SP4_TS4 # ReadConformPDB reading from PDB file servers/SP4_TS5.pdb.gz looking for model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # ReadConformPDB reading from PDB file servers/SPARKS2_TS1.pdb.gz looking for model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # ReadConformPDB reading from PDB file servers/SPARKS2_TS2.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # ReadConformPDB reading from PDB file servers/SPARKS2_TS3.pdb.gz looking for model 1 # Found a chain break before 208 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # ReadConformPDB reading from PDB file servers/SPARKS2_TS4.pdb.gz looking for model 1 # Found a chain break before 196 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # ReadConformPDB reading from PDB file servers/SPARKS2_TS5.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # ReadConformPDB reading from PDB file servers/UNI-EID_expm_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # ReadConformPDB reading from PDB file servers/Zhang-Server_TS1.pdb.gz looking for model 1 # Found a chain break before 135 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # ReadConformPDB reading from PDB file servers/Zhang-Server_TS2.pdb.gz looking for model 1 # Found a chain break before 229 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # ReadConformPDB reading from PDB file servers/Zhang-Server_TS3.pdb.gz looking for model 1 # Found a chain break before 232 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # ReadConformPDB reading from PDB file servers/Zhang-Server_TS4.pdb.gz looking for model 1 # Found a chain break before 224 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # ReadConformPDB reading from PDB file servers/Zhang-Server_TS5.pdb.gz looking for model 1 # Found a chain break before 229 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # ReadConformPDB reading from PDB file servers/beautshot_TS1.pdb.gz looking for model 1 # Found a chain break before 253 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # ReadConformPDB reading from PDB file servers/beautshotbase_TS1.pdb.gz looking for model 1 # Found a chain break before 253 # copying to AlignedFragments data structure # naming current conformation beautshotbase_TS1 # ReadConformPDB reading from PDB file servers/forecast-s_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # ReadConformPDB reading from PDB file servers/forecast-s_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # ReadConformPDB reading from PDB file servers/forecast-s_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # ReadConformPDB reading from PDB file servers/forecast-s_AL4.pdb.gz looking for model 1 Skipped atom 498, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 500, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 502, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 504, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 506, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 508, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 510, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 512, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 514, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 516, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 518, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 520, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 522, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 524, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 526, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 528, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 530, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 532, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 534, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 536, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # ReadConformPDB reading from PDB file servers/forecast-s_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # Found a chain break before 188 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS2.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS3.pdb.gz looking for model 1 # naming current conformation karypis.srv.2_TS3 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS4.pdb.gz looking for model 1 # Found a chain break before 186 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS5.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS1.pdb.gz looking for model 1 WARNING: atoms too close: (T0378)T157.O and (T0378)P158.N only 0.000 apart, marking (T0378)P158.N as missing # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS2.pdb.gz looking for model 1 WARNING: atoms too close: (T0378)G100.O and (T0378)L101.N only 0.000 apart, marking (T0378)L101.N as missing WARNING: atoms too close: (T0378)G115.O and (T0378)T116.N only 0.000 apart, marking (T0378)T116.N as missing WARNING: atoms too close: (T0378)T157.O and (T0378)P158.N only 0.000 apart, marking (T0378)P158.N as missing WARNING: atoms too close: (T0378)F180.O and (T0378)L181.N only 0.000 apart, marking (T0378)L181.N as missing WARNING: atoms too close: (T0378)F194.O and (T0378)T195.N only 0.000 apart, marking (T0378)T195.N as missing # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS3.pdb.gz looking for model 1 # Found a chain break before 248 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS4.pdb.gz looking for model 1 # Found a chain break before 251 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS5.pdb.gz looking for model 1 WARNING: atoms too close: (T0378)A189.O and (T0378)P190.N only 0.000 apart, marking (T0378)P190.N as missing WARNING: atoms too close: (T0378)T243.O and (T0378)A244.N only 0.000 apart, marking (T0378)A244.N as missing # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # ReadConformPDB reading from PDB file servers/karypis.srv_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # ReadConformPDB reading from PDB file servers/karypis.srv_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # ReadConformPDB reading from PDB file servers/karypis.srv_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS3 # ReadConformPDB reading from PDB file servers/karypis.srv_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # ReadConformPDB reading from PDB file servers/karypis.srv_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # naming current conformation keasar-server_TS1 # ReadConformPDB reading from PDB file servers/keasar-server_TS2.pdb.gz looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS2 # ReadConformPDB reading from PDB file servers/keasar-server_TS3.pdb.gz looking for model 1 # naming current conformation keasar-server_TS3 # ReadConformPDB reading from PDB file servers/keasar-server_TS4.pdb.gz looking for model 1 # Found a chain break before 86 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS4 # ReadConformPDB reading from PDB file servers/keasar-server_TS5.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS5 # ReadConformPDB reading from PDB file servers/mGen-3D_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # ReadConformPDB reading from PDB file servers/nFOLD_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # ReadConformPDB reading from PDB file servers/nFOLD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # ReadConformPDB reading from PDB file servers/nFOLD_TS3.pdb.gz looking for model 1 WARNING: atom 1 has residue number 1 < previous residue 254 in servers/nFOLD_TS3.pdb.gz # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # ReadConformPDB reading from PDB file servers/nFOLD_TS4.pdb.gz looking for model 1 WARNING: atom 1 has residue number 1 < previous residue 254 in servers/nFOLD_TS4.pdb.gz # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # ReadConformPDB reading from PDB file servers/nFOLD_TS5.pdb.gz looking for model 1 WARNING: atom 1 has residue number 1 < previous residue 254 in servers/nFOLD_TS5.pdb.gz # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # ReadConformPDB reading from PDB file servers/panther2_TS1.pdb.gz looking for model 1 WARNING: atoms too close: (T0378)V64.N and (T0378)E65.N only 0.000 apart, marking (T0378)E65.N as missing WARNING: atoms too close: (T0378)V64.CA and (T0378)E65.CA only 0.000 apart, marking (T0378)E65.CA as missing WARNING: atoms too close: (T0378)V64.CB and (T0378)E65.CB only 0.000 apart, marking (T0378)E65.CB as missing WARNING: atoms too close: (T0378)V64.CG1 and (T0378)E65.CG only 0.000 apart, marking (T0378)E65.CG as missing WARNING: atoms too close: (T0378)V64.O and (T0378)E65.O only 0.000 apart, marking (T0378)E65.O as missing WARNING: atoms too close: (T0378)V64.C and (T0378)E65.C only 0.000 apart, marking (T0378)E65.C as missing WARNING: atoms too close: (T0378)E65.N and (T0378)L66.N only 0.000 apart, marking (T0378)E65.N as missing WARNING: atoms too close: (T0378)V64.N and (T0378)L66.N only 0.000 apart, marking (T0378)L66.N as missing WARNING: atoms too close: (T0378)E65.CA and (T0378)L66.CA only 0.000 apart, marking (T0378)L66.CA as missing WARNING: atoms too close: (T0378)V64.CA and (T0378)L66.CA only 0.000 apart, marking (T0378)L66.CA as missing WARNING: atoms too close: (T0378)E65.CB and (T0378)L66.CB only 0.000 apart, marking (T0378)L66.CB as missing WARNING: atoms too close: (T0378)V64.CB and (T0378)L66.CB only 0.000 apart, marking (T0378)L66.CB as missing WARNING: atoms too close: (T0378)E65.CG and (T0378)L66.CG only 0.000 apart, marking (T0378)L66.CG as missing WARNING: atoms too close: (T0378)V64.CG1 and (T0378)L66.CG only 0.000 apart, marking (T0378)L66.CG as missing WARNING: atoms too close: (T0378)E65.CD and (T0378)L66.CD1 only 0.000 apart, marking (T0378)L66.CD1 as missing WARNING: atoms too close: (T0378)E65.O and (T0378)L66.O only 0.000 apart, marking (T0378)L66.O as missing WARNING: atoms too close: (T0378)V64.O and (T0378)L66.O only 0.000 apart, marking (T0378)L66.O as missing WARNING: atoms too close: (T0378)E65.C and (T0378)L66.C only 0.000 apart, marking (T0378)L66.C as missing WARNING: atoms too close: (T0378)V64.C and (T0378)L66.C only 0.000 apart, marking (T0378)L66.C as missing WARNING: atoms too close: (T0378)L66.N and (T0378)P67.N only 0.000 apart, marking (T0378)L66.N as missing WARNING: atoms too close: (T0378)E65.N and (T0378)P67.N only 0.000 apart, marking (T0378)E65.N as missing WARNING: atoms too close: (T0378)V64.N and (T0378)P67.N only 0.000 apart, marking (T0378)P67.N as missing WARNING: atoms too close: (T0378)L66.CA and (T0378)P67.CA only 0.000 apart, marking (T0378)P67.CA as missing WARNING: atoms too close: (T0378)E65.CA and (T0378)P67.CA only 0.000 apart, marking (T0378)P67.CA as missing WARNING: atoms too close: (T0378)V64.CA and (T0378)P67.CA only 0.000 apart, marking (T0378)P67.CA as missing WARNING: atoms too close: (T0378)L66.CB and (T0378)P67.CB only 0.000 apart, marking (T0378)P67.CB as missing WARNING: atoms too close: (T0378)E65.CB and (T0378)P67.CB only 0.000 apart, marking (T0378)P67.CB as missing WARNING: atoms too close: (T0378)V64.CB and (T0378)P67.CB only 0.000 apart, marking (T0378)P67.CB as missing WARNING: atoms too close: (T0378)L66.O and (T0378)P67.O only 0.000 apart, marking (T0378)P67.O as missing WARNING: atoms too close: (T0378)E65.O and (T0378)P67.O only 0.000 apart, marking (T0378)P67.O as missing WARNING: atoms too close: (T0378)V64.O and (T0378)P67.O only 0.000 apart, marking (T0378)P67.O as missing WARNING: atoms too close: (T0378)L66.C and (T0378)P67.C only 0.000 apart, marking (T0378)P67.C as missing WARNING: atoms too close: (T0378)E65.C and (T0378)P67.C only 0.000 apart, marking (T0378)P67.C as missing WARNING: atoms too close: (T0378)V64.C and (T0378)P67.C only 0.000 apart, marking (T0378)P67.C as missing WARNING: atoms too close: (T0378)P67.N and (T0378)E68.N only 0.000 apart, marking (T0378)P67.N as missing WARNING: atoms too close: (T0378)L66.N and (T0378)E68.N only 0.000 apart, marking (T0378)L66.N as missing WARNING: atoms too close: (T0378)E65.N and (T0378)E68.N only 0.000 apart, marking (T0378)E65.N as missing WARNING: atoms too close: (T0378)V64.N and (T0378)E68.N only 0.000 apart, marking (T0378)E68.N as missing WARNING: atoms too close: (T0378)P67.CA and (T0378)E68.CA only 0.000 apart, marking (T0378)E68.CA as missing WARNING: atoms too close: (T0378)L66.CA and (T0378)E68.CA only 0.000 apart, marking (T0378)E68.CA as missing WARNING: atoms too close: (T0378)E65.CA and (T0378)E68.CA only 0.000 apart, marking (T0378)E68.CA as missing WARNING: atoms too close: (T0378)V64.CA and (T0378)E68.CA only 0.000 apart, marking (T0378)E68.CA as missing WARNING: atoms too close: (T0378)P67.CB and (T0378)E68.CB only 0.000 apart, marking (T0378)E68.CB as missing WARNING: atoms too close: (T0378)L66.CB and (T0378)E68.CB only 0.000 apart, marking (T0378)E68.CB as missing WARNING: atoms too close: (T0378)E65.CB and (T0378)E68.CB only 0.000 apart, marking (T0378)E68.CB as missing WARNING: atoms too close: (T0378)V64.CB and (T0378)E68.CB only 0.000 apart, marking (T0378)E68.CB as missing WARNING: atoms too close: (T0378)L66.CG and (T0378)E68.CG only 0.000 apart, marking (T0378)E68.CG as missing WARNING: atoms too close: (T0378)E65.CG and (T0378)E68.CG only 0.000 apart, marking (T0378)E68.CG as missing WARNING: atoms too close: (T0378)V64.CG1 and (T0378)E68.CG only 0.000 apart, marking (T0378)E68.CG as missing WARNING: atoms too close: (T0378)L66.CD1 and (T0378)E68.CD only 0.000 apart, marking (T0378)E68.CD as missing WARNING: atoms too close: (T0378)E65.CD and (T0378)E68.CD only 0.000 apart, marking (T0378)E68.CD as missing WARNING: atoms too close: (T0378)P67.O and (T0378)E68.O only 0.000 apart, marking (T0378)E68.O as missing WARNING: atoms too close: (T0378)L66.O and (T0378)E68.O only 0.000 apart, marking (T0378)E68.O as missing WARNING: atoms too close: (T0378)E65.O and (T0378)E68.O only 0.000 apart, marking (T0378)E68.O as missing WARNING: atoms too close: (T0378)V64.O and (T0378)E68.O only 0.000 apart, marking (T0378)E68.O as missing WARNING: atoms too close: (T0378)P67.C and (T0378)E68.C only 0.000 apart, marking (T0378)E68.C as missing WARNING: atoms too close: (T0378)L66.C and (T0378)E68.C only 0.000 apart, marking (T0378)E68.C as missing WARNING: atoms too close: (T0378)E65.C and (T0378)E68.C only 0.000 apart, marking (T0378)E68.C as missing WARNING: atoms too close: (T0378)V64.C and (T0378)E68.C only 0.000 apart, marking (T0378)E68.C as missing WARNING: atoms too close: (T0378)E68.N and (T0378)S69.N only 0.000 apart, marking (T0378)E68.N as missing WARNING: atoms too close: (T0378)P67.N and (T0378)S69.N only 0.000 apart, marking (T0378)P67.N as missing WARNING: atoms too close: (T0378)L66.N and (T0378)S69.N only 0.000 apart, marking (T0378)L66.N as missing WARNING: atoms too close: (T0378)E65.N and (T0378)S69.N only 0.000 apart, marking (T0378)E65.N as missing WARNING: atoms too close: (T0378)V64.N and (T0378)S69.N only 0.000 apart, marking (T0378)S69.N as missing WARNING: atoms too close: (T0378)E68.CA and (T0378)S69.CA only 0.000 apart, marking (T0378)S69.CA as missing WARNING: atoms too close: (T0378)P67.CA and (T0378)S69.CA only 0.000 apart, marking (T0378)S69.CA as missing WARNING: atoms too close: (T0378)L66.CA and (T0378)S69.CA only 0.000 apart, marking (T0378)S69.CA as missing WARNING: atoms too close: (T0378)E65.CA and (T0378)S69.CA only 0.000 apart, marking (T0378)S69.CA as missing WARNING: atoms too close: (T0378)V64.CA and (T0378)S69.CA only 0.000 apart, marking (T0378)S69.CA as missing WARNING: atoms too close: (T0378)E68.CB and (T0378)S69.CB only 0.000 apart, marking (T0378)S69.CB as missing WARNING: atoms too close: (T0378)P67.CB and (T0378)S69.CB only 0.000 apart, marking (T0378)S69.CB as missing WARNING: atoms too close: (T0378)L66.CB and (T0378)S69.CB only 0.000 apart, marking (T0378)S69.CB as missing WARNING: atoms too close: (T0378)E65.CB and (T0378)S69.CB only 0.000 apart, marking (T0378)S69.CB as missing WARNING: atoms too close: (T0378)V64.CB and (T0378)S69.CB only 0.000 apart, marking (T0378)S69.CB as missing WARNING: atoms too close: (T0378)E68.O and (T0378)S69.O only 0.000 apart, marking (T0378)S69.O as missing WARNING: atoms too close: (T0378)P67.O and (T0378)S69.O only 0.000 apart, marking (T0378)S69.O as missing WARNING: atoms too close: (T0378)L66.O and (T0378)S69.O only 0.000 apart, marking (T0378)S69.O as missing WARNING: atoms too close: (T0378)E65.O and (T0378)S69.O only 0.000 apart, marking (T0378)S69.O as missing WARNING: atoms too close: (T0378)V64.O and (T0378)S69.O only 0.000 apart, marking (T0378)S69.O as missing WARNING: atoms too close: (T0378)E68.C and (T0378)S69.C only 0.000 apart, marking (T0378)S69.C as missing WARNING: atoms too close: (T0378)P67.C and (T0378)S69.C only 0.000 apart, marking (T0378)S69.C as missing WARNING: atoms too close: (T0378)L66.C and (T0378)S69.C only 0.000 apart, marking (T0378)S69.C as missing WARNING: atoms too close: (T0378)E65.C and (T0378)S69.C only 0.000 apart, marking (T0378)S69.C as missing WARNING: atoms too close: (T0378)V64.C and (T0378)S69.C only 0.000 apart, marking (T0378)S69.C as missing WARNING: atoms too close: (T0378)S69.N and (T0378)F70.N only 0.000 apart, marking (T0378)S69.N as missing WARNING: atoms too close: (T0378)E68.N and (T0378)F70.N only 0.000 apart, marking (T0378)E68.N as missing WARNING: atoms too close: (T0378)P67.N and (T0378)F70.N only 0.000 apart, marking (T0378)P67.N as missing WARNING: atoms too close: (T0378)L66.N and (T0378)F70.N only 0.000 apart, marking (T0378)L66.N as missing WARNING: atoms too close: (T0378)E65.N and (T0378)F70.N only 0.000 apart, marking (T0378)E65.N as missing WARNING: atoms too close: (T0378)V64.N and (T0378)F70.N only 0.000 apart, marking (T0378)F70.N as missing WARNING: atoms too close: (T0378)S69.CA and (T0378)F70.CA only 0.000 apart, marking (T0378)F70.CA as missing WARNING: atoms too close: (T0378)E68.CA and (T0378)F70.CA only 0.000 apart, marking (T0378)F70.CA as missing WARNING: atoms too close: (T0378)P67.CA and (T0378)F70.CA only 0.000 apart, marking (T0378)F70.CA as missing WARNING: atoms too close: (T0378)L66.CA and (T0378)F70.CA only 0.000 apart, marking (T0378)F70.CA as missing WARNING: atoms too close: (T0378)E65.CA and (T0378)F70.CA only 0.000 apart, marking (T0378)F70.CA as missing WARNING: atoms too close: (T0378)V64.CA and (T0378)F70.CA only 0.000 apart, marking (T0378)F70.CA as missing WARNING: atoms too close: (T0378)S69.CB and (T0378)F70.CB only 0.000 apart, marking (T0378)F70.CB as missing WARNING: atoms too close: (T0378)E68.CB and (T0378)F70.CB only 0.000 apart, marking (T0378)F70.CB as missing WARNING: atoms too close: (T0378)P67.CB and (T0378)F70.CB only 0.000 apart, marking (T0378)F70.CB as missing WARNING: atoms too close: (T0378)L66.CB and (T0378)F70.CB only 0.000 apart, marking (T0378)F70.CB as missing WARNING: atoms too close: (T0378)E65.CB and (T0378)F70.CB only 0.000 apart, marking (T0378)F70.CB as missing WARNING: atoms too close: (T0378)V64.CB and (T0378)F70.CB only 0.000 apart, marking (T0378)F70.CB as missing WARNING: atoms too close: (T0378)E68.CG and (T0378)F70.CG only 0.000 apart, marking (T0378)F70.CG as missing WARNING: atoms too close: (T0378)L66.CG and (T0378)F70.CG only 0.000 apart, marking (T0378)F70.CG as missing WARNING: atoms too close: (T0378)E65.CG and (T0378)F70.CG only 0.000 apart, marking (T0378)F70.CG as missing WARNING: atoms too close: (T0378)V64.CG1 and (T0378)F70.CG only 0.000 apart, marking (T0378)F70.CG as missing WARNING: atoms too close: (T0378)S69.O and (T0378)F70.O only 0.000 apart, marking (T0378)F70.O as missing WARNING: atoms too close: (T0378)E68.O and (T0378)F70.O only 0.000 apart, marking (T0378)F70.O as missing WARNING: atoms too close: (T0378)P67.O and (T0378)F70.O only 0.000 apart, marking (T0378)F70.O as missing WARNING: atoms too close: (T0378)L66.O and (T0378)F70.O only 0.000 apart, marking (T0378)F70.O as missing WARNING: atoms too close: (T0378)E65.O and (T0378)F70.O only 0.000 apart, marking (T0378)F70.O as missing WARNING: atoms too close: (T0378)V64.O and (T0378)F70.O only 0.000 apart, marking (T0378)F70.O as missing WARNING: atoms too close: (T0378)S69.C and (T0378)F70.C only 0.000 apart, marking (T0378)F70.C as missing WARNING: atoms too close: (T0378)E68.C and (T0378)F70.C only 0.000 apart, marking (T0378)F70.C as missing WARNING: atoms too close: (T0378)P67.C and (T0378)F70.C only 0.000 apart, marking (T0378)F70.C as missing WARNING: atoms too close: (T0378)L66.C and (T0378)F70.C only 0.000 apart, marking (T0378)F70.C as missing WARNING: atoms too close: (T0378)E65.C and (T0378)F70.C only 0.000 apart, marking (T0378)F70.C as missing WARNING: atoms too close: (T0378)V64.C and (T0378)F70.C only 0.000 apart, marking (T0378)F70.C as missing WARNING: atoms too close: (T0378)F70.N and (T0378)D71.N only 0.000 apart, marking (T0378)F70.N as missing WARNING: atoms too close: (T0378)S69.N and (T0378)D71.N only 0.000 apart, marking (T0378)S69.N as missing WARNING: atoms too close: (T0378)E68.N and (T0378)D71.N only 0.000 apart, marking (T0378)E68.N as missing WARNING: atoms too close: (T0378)P67.N and (T0378)D71.N only 0.000 apart, marking (T0378)P67.N as missing WARNING: atoms too close: (T0378)L66.N and (T0378)D71.N only 0.000 apart, marking (T0378)L66.N as missing WARNING: atoms too close: (T0378)E65.N and (T0378)D71.N only 0.000 apart, marking (T0378)E65.N as missing WARNING: atoms too close: (T0378)V64.N and (T0378)D71.N only 0.000 apart, marking (T0378)D71.N as missing WARNING: atoms too close: (T0378)F70.CA and (T0378)D71.CA only 0.000 apart, marking (T0378)D71.CA as missing WARNING: atoms too close: (T0378)S69.CA and (T0378)D71.CA only 0.000 apart, marking (T0378)D71.CA as missing WARNING: atoms too close: (T0378)E68.CA and (T0378)D71.CA only 0.000 apart, marking (T0378)D71.CA as missing WARNING: atoms too close: (T0378)P67.CA and (T0378)D71.CA only 0.000 apart, marking (T0378)D71.CA as missing WARNING: atoms too close: (T0378)L66.CA and (T0378)D71.CA only 0.000 apart, marking (T0378)D71.CA as missing WARNING: atoms too close: (T0378)E65.CA and (T0378)D71.CA only 0.000 apart, marking (T0378)D71.CA as missing WARNING: atoms too close: (T0378)V64.CA and (T0378)D71.CA only 0.000 apart, marking (T0378)D71.CA as missing WARNING: atoms too close: (T0378)F70.CB and (T0378)D71.CB only 0.000 apart, marking (T0378)D71.CB as missing WARNING: atoms too close: (T0378)S69.CB and (T0378)D71.CB only 0.000 apart, marking (T0378)D71.CB as missing WARNING: atoms too close: (T0378)E68.CB and (T0378)D71.CB only 0.000 apart, marking (T0378)D71.CB as missing WARNING: atoms too close: (T0378)P67.CB and (T0378)D71.CB only 0.000 apart, marking (T0378)D71.CB as missing WARNING: atoms too close: (T0378)L66.CB and (T0378)D71.CB only 0.000 apart, marking (T0378)D71.CB as missing WARNING: atoms too close: (T0378)E65.CB and (T0378)D71.CB only 0.000 apart, marking (T0378)D71.CB as missing WARNING: atoms too close: (T0378)V64.CB and (T0378)D71.CB only 0.000 apart, marking (T0378)D71.CB as missing WARNING: atoms too close: (T0378)F70.CG and (T0378)D71.CG only 0.000 apart, marking (T0378)D71.CG as missing WARNING: atoms too close: (T0378)E68.CG and (T0378)D71.CG only 0.000 apart, marking (T0378)D71.CG as missing WARNING: atoms too close: (T0378)L66.CG and (T0378)D71.CG only 0.000 apart, marking (T0378)D71.CG as missing WARNING: atoms too close: (T0378)E65.CG and (T0378)D71.CG only 0.000 apart, marking (T0378)D71.CG as missing WARNING: atoms too close: (T0378)V64.CG1 and (T0378)D71.CG only 0.000 apart, marking (T0378)D71.CG as missing WARNING: atoms too close: (T0378)F70.O and (T0378)D71.O only 0.000 apart, marking (T0378)D71.O as missing WARNING: atoms too close: (T0378)S69.O and (T0378)D71.O only 0.000 apart, marking (T0378)D71.O as missing WARNING: atoms too close: (T0378)E68.O and (T0378)D71.O only 0.000 apart, marking (T0378)D71.O as missing WARNING: atoms too close: (T0378)P67.O and (T0378)D71.O only 0.000 apart, marking (T0378)D71.O as missing WARNING: atoms too close: (T0378)L66.O and (T0378)D71.O only 0.000 apart, marking (T0378)D71.O as missing WARNING: atoms too close: (T0378)E65.O and (T0378)D71.O only 0.000 apart, marking (T0378)D71.O as missing WARNING: atoms too close: (T0378)V64.O and (T0378)D71.O only 0.000 apart, marking (T0378)D71.O as missing WARNING: atoms too close: (T0378)F70.C and (T0378)D71.C only 0.000 apart, marking (T0378)D71.C as missing WARNING: atoms too close: (T0378)S69.C and (T0378)D71.C only 0.000 apart, marking (T0378)D71.C as missing WARNING: atoms too close: (T0378)E68.C and (T0378)D71.C only 0.000 apart, marking (T0378)D71.C as missing WARNING: atoms too close: (T0378)P67.C and (T0378)D71.C only 0.000 apart, marking (T0378)D71.C as missing WARNING: atoms too close: (T0378)L66.C and (T0378)D71.C only 0.000 apart, marking (T0378)D71.C as missing WARNING: atoms too close: (T0378)E65.C and (T0378)D71.C only 0.000 apart, marking (T0378)D71.C as missing WARNING: atoms too close: (T0378)V64.C and (T0378)D71.C only 0.000 apart, marking (T0378)D71.C as missing WARNING: atoms too close: (T0378)D71.N and (T0378)L181.N only 0.000 apart, marking (T0378)D71.N as missing WARNING: atoms too close: (T0378)F70.N and (T0378)L181.N only 0.000 apart, marking (T0378)F70.N as missing WARNING: atoms too close: (T0378)S69.N and (T0378)L181.N only 0.000 apart, marking (T0378)S69.N as missing WARNING: atoms too close: (T0378)E68.N and (T0378)L181.N only 0.000 apart, marking (T0378)E68.N as missing WARNING: atoms too close: (T0378)P67.N and (T0378)L181.N only 0.000 apart, marking (T0378)P67.N as missing WARNING: atoms too close: (T0378)L66.N and (T0378)L181.N only 0.000 apart, marking (T0378)L66.N as missing WARNING: atoms too close: (T0378)E65.N and (T0378)L181.N only 0.000 apart, marking (T0378)E65.N as missing WARNING: atoms too close: (T0378)V64.N and (T0378)L181.N only 0.000 apart, marking (T0378)L181.N as missing WARNING: atoms too close: (T0378)D71.CA and (T0378)L181.CA only 0.000 apart, marking (T0378)L181.CA as missing WARNING: atoms too close: (T0378)F70.CA and (T0378)L181.CA only 0.000 apart, marking (T0378)L181.CA as missing WARNING: atoms too close: (T0378)S69.CA and (T0378)L181.CA only 0.000 apart, marking (T0378)L181.CA as missing WARNING: atoms too close: (T0378)E68.CA and (T0378)L181.CA only 0.000 apart, marking (T0378)L181.CA as missing WARNING: atoms too close: (T0378)P67.CA and (T0378)L181.CA only 0.000 apart, marking (T0378)L181.CA as missing WARNING: atoms too close: (T0378)L66.CA and (T0378)L181.CA only 0.000 apart, marking (T0378)L181.CA as missing WARNING: atoms too close: (T0378)E65.CA and (T0378)L181.CA only 0.000 apart, marking (T0378)L181.CA as missing WARNING: atoms too close: (T0378)V64.CA and (T0378)L181.CA only 0.000 apart, marking (T0378)L181.CA as missing WARNING: atoms too close: (T0378)D71.CB and (T0378)L181.CB only 0.000 apart, marking (T0378)L181.CB as missing WARNING: atoms too close: (T0378)F70.CB and (T0378)L181.CB only 0.000 apart, marking (T0378)L181.CB as missing WARNING: atoms too close: (T0378)S69.CB and (T0378)L181.CB only 0.000 apart, marking (T0378)L181.CB as missing WARNING: atoms too close: (T0378)E68.CB and (T0378)L181.CB only 0.000 apart, marking (T0378)L181.CB as missing WARNING: atoms too close: (T0378)P67.CB and (T0378)L181.CB only 0.000 apart, marking (T0378)L181.CB as missing WARNING: atoms too close: (T0378)L66.CB and (T0378)L181.CB only 0.000 apart, marking (T0378)L181.CB as missing WARNING: atoms too close: (T0378)E65.CB and (T0378)L181.CB only 0.000 apart, marking (T0378)L181.CB as missing WARNING: atoms too close: (T0378)V64.CB and (T0378)L181.CB only 0.000 apart, marking (T0378)L181.CB as missing WARNING: atoms too close: (T0378)D71.CG and (T0378)L181.CG only 0.000 apart, marking (T0378)L181.CG as missing WARNING: atoms too close: (T0378)F70.CG and (T0378)L181.CG only 0.000 apart, marking (T0378)L181.CG as missing WARNING: atoms too close: (T0378)E68.CG and (T0378)L181.CG only 0.000 apart, marking (T0378)L181.CG as missing WARNING: atoms too close: (T0378)L66.CG and (T0378)L181.CG only 0.000 apart, marking (T0378)L181.CG as missing WARNING: atoms too close: (T0378)E65.CG and (T0378)L181.CG only 0.000 apart, marking (T0378)L181.CG as missing WARNING: atoms too close: (T0378)V64.CG1 and (T0378)L181.CG only 0.000 apart, marking (T0378)L181.CG as missing WARNING: atoms too close: (T0378)E68.CD and (T0378)L181.CD1 only 0.000 apart, marking (T0378)L181.CD1 as missing WARNING: atoms too close: (T0378)L66.CD1 and (T0378)L181.CD1 only 0.000 apart, marking (T0378)L181.CD1 as missing WARNING: atoms too close: (T0378)E65.CD and (T0378)L181.CD1 only 0.000 apart, marking (T0378)L181.CD1 as missing WARNING: atoms too close: (T0378)L66.CD2 and (T0378)L181.CD2 only 0.000 apart, marking (T0378)L181.CD2 as missing WARNING: atoms too close: (T0378)D71.O and (T0378)L181.O only 0.000 apart, marking (T0378)L181.O as missing WARNING: atoms too close: (T0378)F70.O and (T0378)L181.O only 0.000 apart, marking (T0378)L181.O as missing WARNING: atoms too close: (T0378)S69.O and (T0378)L181.O only 0.000 apart, marking (T0378)L181.O as missing WARNING: atoms too close: (T0378)E68.O and (T0378)L181.O only 0.000 apart, marking (T0378)L181.O as missing WARNING: atoms too close: (T0378)P67.O and (T0378)L181.O only 0.000 apart, marking (T0378)L181.O as missing WARNING: atoms too close: (T0378)L66.O and (T0378)L181.O only 0.000 apart, marking (T0378)L181.O as missing WARNING: atoms too close: (T0378)E65.O and (T0378)L181.O only 0.000 apart, marking (T0378)L181.O as missing WARNING: atoms too close: (T0378)V64.O and (T0378)L181.O only 0.000 apart, marking (T0378)L181.O as missing WARNING: atoms too close: (T0378)D71.C and (T0378)L181.C only 0.000 apart, marking (T0378)L181.C as missing WARNING: atoms too close: (T0378)F70.C and (T0378)L181.C only 0.000 apart, marking (T0378)L181.C as missing WARNING: atoms too close: (T0378)S69.C and (T0378)L181.C only 0.000 apart, marking (T0378)L181.C as missing WARNING: atoms too close: (T0378)E68.C and (T0378)L181.C only 0.000 apart, marking (T0378)L181.C as missing WARNING: atoms too close: (T0378)P67.C and (T0378)L181.C only 0.000 apart, marking (T0378)L181.C as missing WARNING: atoms too close: (T0378)L66.C and (T0378)L181.C only 0.000 apart, marking (T0378)L181.C as missing WARNING: atoms too close: (T0378)E65.C and (T0378)L181.C only 0.000 apart, marking (T0378)L181.C as missing WARNING: atoms too close: (T0378)V64.C and (T0378)L181.C only 0.000 apart, marking (T0378)L181.C as missing WARNING: atoms too close: (T0378)L181.N and (T0378)D182.N only 0.000 apart, marking (T0378)L181.N as missing WARNING: atoms too close: (T0378)D71.N and (T0378)D182.N only 0.000 apart, marking (T0378)D71.N as missing WARNING: atoms too close: (T0378)F70.N and (T0378)D182.N only 0.000 apart, marking (T0378)F70.N as missing WARNING: atoms too close: (T0378)S69.N and (T0378)D182.N only 0.000 apart, marking (T0378)S69.N as missing WARNING: atoms too close: (T0378)E68.N and (T0378)D182.N only 0.000 apart, marking (T0378)E68.N as missing WARNING: atoms too close: (T0378)P67.N and (T0378)D182.N only 0.000 apart, marking (T0378)P67.N as missing WARNING: atoms too close: (T0378)L66.N and (T0378)D182.N only 0.000 apart, marking (T0378)L66.N as missing WARNING: atoms too close: (T0378)E65.N and (T0378)D182.N only 0.000 apart, marking (T0378)E65.N as missing WARNING: atoms too close: (T0378)V64.N and (T0378)D182.N only 0.000 apart, marking (T0378)D182.N as missing WARNING: atoms too close: (T0378)L181.CA and (T0378)D182.CA only 0.000 apart, marking (T0378)D182.CA as missing WARNING: atoms too close: (T0378)D71.CA and (T0378)D182.CA only 0.000 apart, marking (T0378)D182.CA as missing WARNING: atoms too close: (T0378)F70.CA and (T0378)D182.CA only 0.000 apart, marking (T0378)D182.CA as missing WARNING: atoms too close: (T0378)S69.CA and (T0378)D182.CA only 0.000 apart, marking (T0378)D182.CA as missing WARNING: atoms too close: (T0378)E68.CA and (T0378)D182.CA only 0.000 apart, marking (T0378)D182.CA as missing WARNING: atoms too close: (T0378)P67.CA and (T0378)D182.CA only 0.000 apart, marking (T0378)D182.CA as missing WARNING: atoms too close: (T0378)L66.CA and (T0378)D182.CA only 0.000 apart, marking (T0378)D182.CA as missing WARNING: atoms too close: (T0378)E65.CA and (T0378)D182.CA only 0.000 apart, marking (T0378)D182.CA as missing WARNING: atoms too close: (T0378)V64.CA and (T0378)D182.CA only 0.000 apart, marking (T0378)D182.CA as missing WARNING: atoms too close: (T0378)L181.CB and (T0378)D182.CB only 0.000 apart, marking (T0378)D182.CB as missing WARNING: atoms too close: (T0378)D71.CB and (T0378)D182.CB only 0.000 apart, marking (T0378)D182.CB as missing WARNING: atoms too close: (T0378)F70.CB and (T0378)D182.CB only 0.000 apart, marking (T0378)D182.CB as missing WARNING: atoms too close: (T0378)S69.CB and (T0378)D182.CB only 0.000 apart, marking (T0378)D182.CB as missing WARNING: atoms too close: (T0378)E68.CB and (T0378)D182.CB only 0.000 apart, marking (T0378)D182.CB as missing WARNING: atoms too close: (T0378)P67.CB and (T0378)D182.CB only 0.000 apart, marking (T0378)D182.CB as missing WARNING: atoms too close: (T0378)L66.CB and (T0378)D182.CB only 0.000 apart, marking (T0378)D182.CB as missing WARNING: atoms too close: (T0378)E65.CB and (T0378)D182.CB only 0.000 apart, marking (T0378)D182.CB as missing WARNING: atoms too close: (T0378)V64.CB and (T0378)D182.CB only 0.000 apart, marking (T0378)D182.CB as missing WARNING: atoms too close: (T0378)L181.CG and (T0378)D182.CG only 0.000 apart, marking (T0378)D182.CG as missing WARNING: atoms too close: (T0378)D71.CG and (T0378)D182.CG only 0.000 apart, marking (T0378)D182.CG as missing WARNING: atoms too close: (T0378)F70.CG and (T0378)D182.CG only 0.000 apart, marking (T0378)D182.CG as missing WARNING: atoms too close: (T0378)E68.CG and (T0378)D182.CG only 0.000 apart, marking (T0378)D182.CG as missing WARNING: atoms too close: (T0378)L66.CG and (T0378)D182.CG only 0.000 apart, marking (T0378)D182.CG as missing WARNING: atoms too close: (T0378)E65.CG and (T0378)D182.CG only 0.000 apart, marking (T0378)D182.CG as missing WARNING: atoms too close: (T0378)V64.CG1 and (T0378)D182.CG only 0.000 apart, marking (T0378)D182.CG as missing WARNING: atoms too close: (T0378)L181.O and (T0378)D182.O only 0.000 apart, marking (T0378)D182.O as missing WARNING: atoms too close: (T0378)D71.O and (T0378)D182.O only 0.000 apart, marking (T0378)D182.O as missing WARNING: atoms too close: (T0378)F70.O and (T0378)D182.O only 0.000 apart, marking (T0378)D182.O as missing WARNING: atoms too close: (T0378)S69.O and (T0378)D182.O only 0.000 apart, marking (T0378)D182.O as missing WARNING: atoms too close: (T0378)E68.O and (T0378)D182.O only 0.000 apart, marking (T0378)D182.O as missing WARNING: atoms too close: (T0378)P67.O and (T0378)D182.O only 0.000 apart, marking (T0378)D182.O as missing WARNING: atoms too close: (T0378)L66.O and (T0378)D182.O only 0.000 apart, marking (T0378)D182.O as missing WARNING: atoms too close: (T0378)E65.O and (T0378)D182.O only 0.000 apart, marking (T0378)D182.O as missing WARNING: atoms too close: (T0378)V64.O and (T0378)D182.O only 0.000 apart, marking (T0378)D182.O as missing WARNING: atoms too close: (T0378)L181.C and (T0378)D182.C only 0.000 apart, marking (T0378)D182.C as missing WARNING: atoms too close: (T0378)D71.C and (T0378)D182.C only 0.000 apart, marking (T0378)D182.C as missing WARNING: atoms too close: (T0378)F70.C and (T0378)D182.C only 0.000 apart, marking (T0378)D182.C as missing WARNING: atoms too close: (T0378)S69.C and (T0378)D182.C only 0.000 apart, marking (T0378)D182.C as missing WARNING: atoms too close: (T0378)E68.C and (T0378)D182.C only 0.000 apart, marking (T0378)D182.C as missing WARNING: atoms too close: (T0378)P67.C and (T0378)D182.C only 0.000 apart, marking (T0378)D182.C as missing WARNING: atoms too close: (T0378)L66.C and (T0378)D182.C only 0.000 apart, marking (T0378)D182.C as missing WARNING: atoms too close: (T0378)E65.C and (T0378)D182.C only 0.000 apart, marking (T0378)D182.C as missing WARNING: atoms too close: (T0378)V64.C and (T0378)D182.C only 0.000 apart, marking (T0378)D182.C as missing WARNING: atoms too close: (T0378)D182.N and (T0378)G227.N only 0.000 apart, marking (T0378)D182.N as missing WARNING: atoms too close: (T0378)L181.N and (T0378)G227.N only 0.000 apart, marking (T0378)L181.N as missing WARNING: atoms too close: (T0378)D71.N and (T0378)G227.N only 0.000 apart, marking (T0378)D71.N as missing WARNING: atoms too close: (T0378)F70.N and (T0378)G227.N only 0.000 apart, marking (T0378)F70.N as missing WARNING: atoms too close: (T0378)S69.N and (T0378)G227.N only 0.000 apart, marking (T0378)S69.N as missing WARNING: atoms too close: (T0378)E68.N and (T0378)G227.N only 0.000 apart, marking (T0378)E68.N as missing WARNING: atoms too close: (T0378)P67.N and (T0378)G227.N only 0.000 apart, marking (T0378)P67.N as missing WARNING: atoms too close: (T0378)L66.N and (T0378)G227.N only 0.000 apart, marking (T0378)L66.N as missing WARNING: atoms too close: (T0378)E65.N and (T0378)G227.N only 0.000 apart, marking (T0378)E65.N as missing WARNING: atoms too close: (T0378)V64.N and (T0378)G227.N only 0.000 apart, marking (T0378)G227.N as missing WARNING: atoms too close: (T0378)D182.CA and (T0378)G227.CA only 0.000 apart, marking (T0378)G227.CA as missing WARNING: atoms too close: (T0378)L181.CA and (T0378)G227.CA only 0.000 apart, marking (T0378)G227.CA as missing WARNING: atoms too close: (T0378)D71.CA and (T0378)G227.CA only 0.000 apart, marking (T0378)G227.CA as missing WARNING: atoms too close: (T0378)F70.CA and (T0378)G227.CA only 0.000 apart, marking (T0378)G227.CA as missing WARNING: atoms too close: (T0378)S69.CA and (T0378)G227.CA only 0.000 apart, marking (T0378)G227.CA as missing WARNING: atoms too close: (T0378)E68.CA and (T0378)G227.CA only 0.000 apart, marking (T0378)G227.CA as missing WARNING: atoms too close: (T0378)P67.CA and (T0378)G227.CA only 0.000 apart, marking (T0378)G227.CA as missing WARNING: atoms too close: (T0378)L66.CA and (T0378)G227.CA only 0.000 apart, marking (T0378)G227.CA as missing WARNING: atoms too close: (T0378)E65.CA and (T0378)G227.CA only 0.000 apart, marking (T0378)G227.CA as missing WARNING: atoms too close: (T0378)V64.CA and (T0378)G227.CA only 0.000 apart, marking (T0378)G227.CA as missing WARNING: atoms too close: (T0378)D182.O and (T0378)G227.O only 0.000 apart, marking (T0378)G227.O as missing WARNING: atoms too close: (T0378)L181.O and (T0378)G227.O only 0.000 apart, marking (T0378)G227.O as missing WARNING: atoms too close: (T0378)D71.O and (T0378)G227.O only 0.000 apart, marking (T0378)G227.O as missing WARNING: atoms too close: (T0378)F70.O and (T0378)G227.O only 0.000 apart, marking (T0378)G227.O as missing WARNING: atoms too close: (T0378)S69.O and (T0378)G227.O only 0.000 apart, marking (T0378)G227.O as missing WARNING: atoms too close: (T0378)E68.O and (T0378)G227.O only 0.000 apart, marking (T0378)G227.O as missing WARNING: atoms too close: (T0378)P67.O and (T0378)G227.O only 0.000 apart, marking (T0378)G227.O as missing WARNING: atoms too close: (T0378)L66.O and (T0378)G227.O only 0.000 apart, marking (T0378)G227.O as missing WARNING: atoms too close: (T0378)E65.O and (T0378)G227.O only 0.000 apart, marking (T0378)G227.O as missing WARNING: atoms too close: (T0378)V64.O and (T0378)G227.O only 0.000 apart, marking (T0378)G227.O as missing WARNING: atoms too close: (T0378)D182.C and (T0378)G227.C only 0.000 apart, marking (T0378)G227.C as missing WARNING: atoms too close: (T0378)L181.C and (T0378)G227.C only 0.000 apart, marking (T0378)G227.C as missing WARNING: atoms too close: (T0378)D71.C and (T0378)G227.C only 0.000 apart, marking (T0378)G227.C as missing WARNING: atoms too close: (T0378)F70.C and (T0378)G227.C only 0.000 apart, marking (T0378)G227.C as missing WARNING: atoms too close: (T0378)S69.C and (T0378)G227.C only 0.000 apart, marking (T0378)G227.C as missing WARNING: atoms too close: (T0378)E68.C and (T0378)G227.C only 0.000 apart, marking (T0378)G227.C as missing WARNING: atoms too close: (T0378)P67.C and (T0378)G227.C only 0.000 apart, marking (T0378)G227.C as missing WARNING: atoms too close: (T0378)L66.C and (T0378)G227.C only 0.000 apart, marking (T0378)G227.C as missing WARNING: atoms too close: (T0378)E65.C and (T0378)G227.C only 0.000 apart, marking (T0378)G227.C as missing WARNING: atoms too close: (T0378)V64.C and (T0378)G227.C only 0.000 apart, marking (T0378)G227.C as missing WARNING: atoms too close: (T0378)G227.N and (T0378)L228.N only 0.000 apart, marking (T0378)G227.N as missing WARNING: atoms too close: (T0378)D182.N and (T0378)L228.N only 0.000 apart, marking (T0378)D182.N as missing WARNING: atoms too close: (T0378)L181.N and (T0378)L228.N only 0.000 apart, marking (T0378)L181.N as missing WARNING: atoms too close: (T0378)D71.N and (T0378)L228.N only 0.000 apart, marking (T0378)D71.N as missing WARNING: atoms too close: (T0378)F70.N and (T0378)L228.N only 0.000 apart, marking (T0378)F70.N as missing WARNING: atoms too close: (T0378)S69.N and (T0378)L228.N only 0.000 apart, marking (T0378)S69.N as missing WARNING: atoms too close: (T0378)E68.N and (T0378)L228.N only 0.000 apart, marking (T0378)E68.N as missing WARNING: atoms too close: (T0378)P67.N and (T0378)L228.N only 0.000 apart, marking (T0378)P67.N as missing WARNING: atoms too close: (T0378)L66.N and (T0378)L228.N only 0.000 apart, marking (T0378)L66.N as missing WARNING: atoms too close: (T0378)E65.N and (T0378)L228.N only 0.000 apart, marking (T0378)E65.N as missing WARNING: atoms too close: (T0378)V64.N and (T0378)L228.N only 0.000 apart, marking (T0378)L228.N as missing WARNING: atoms too close: (T0378)G227.CA and (T0378)L228.CA only 0.000 apart, marking (T0378)L228.CA as missing WARNING: atoms too close: (T0378)D182.CA and (T0378)L228.CA only 0.000 apart, marking (T0378)L228.CA as missing WARNING: atoms too close: (T0378)L181.CA and (T0378)L228.CA only 0.000 apart, marking (T0378)L228.CA as missing WARNING: atoms too close: (T0378)D71.CA and (T0378)L228.CA only 0.000 apart, marking (T0378)L228.CA as missing WARNING: atoms too close: (T0378)F70.CA and (T0378)L228.CA only 0.000 apart, marking (T0378)L228.CA as missing WARNING: atoms too close: (T0378)S69.CA and (T0378)L228.CA only 0.000 apart, marking (T0378)L228.CA as missing WARNING: atoms too close: (T0378)E68.CA and (T0378)L228.CA only 0.000 apart, marking (T0378)L228.CA as missing WARNING: atoms too close: (T0378)P67.CA and (T0378)L228.CA only 0.000 apart, marking (T0378)L228.CA as missing WARNING: atoms too close: (T0378)L66.CA and (T0378)L228.CA only 0.000 apart, marking (T0378)L228.CA as missing WARNING: atoms too close: (T0378)E65.CA and (T0378)L228.CA only 0.000 apart, marking (T0378)L228.CA as missing WARNING: atoms too close: (T0378)V64.CA and (T0378)L228.CA only 0.000 apart, marking (T0378)L228.CA as missing WARNING: atoms too close: (T0378)D182.CB and (T0378)L228.CB only 0.000 apart, marking (T0378)L228.CB as missing WARNING: atoms too close: (T0378)L181.CB and (T0378)L228.CB only 0.000 apart, marking (T0378)L228.CB as missing WARNING: atoms too close: (T0378)D71.CB and (T0378)L228.CB only 0.000 apart, marking (T0378)L228.CB as missing WARNING: atoms too close: (T0378)F70.CB and (T0378)L228.CB only 0.000 apart, marking (T0378)L228.CB as missing WARNING: atoms too close: (T0378)S69.CB and (T0378)L228.CB only 0.000 apart, marking (T0378)L228.CB as missing WARNING: atoms too close: (T0378)E68.CB and (T0378)L228.CB only 0.000 apart, marking (T0378)L228.CB as missing WARNING: atoms too close: (T0378)P67.CB and (T0378)L228.CB only 0.000 apart, marking (T0378)L228.CB as missing WARNING: atoms too close: (T0378)L66.CB and (T0378)L228.CB only 0.000 apart, marking (T0378)L228.CB as missing WARNING: atoms too close: (T0378)E65.CB and (T0378)L228.CB only 0.000 apart, marking (T0378)L228.CB as missing WARNING: atoms too close: (T0378)V64.CB and (T0378)L228.CB only 0.000 apart, marking (T0378)L228.CB as missing WARNING: atoms too close: (T0378)D182.CG and (T0378)L228.CG only 0.000 apart, marking (T0378)L228.CG as missing WARNING: atoms too close: (T0378)L181.CG and (T0378)L228.CG only 0.000 apart, marking (T0378)L228.CG as missing WARNING: atoms too close: (T0378)D71.CG and (T0378)L228.CG only 0.000 apart, marking (T0378)L228.CG as missing WARNING: atoms too close: (T0378)F70.CG and (T0378)L228.CG only 0.000 apart, marking (T0378)L228.CG as missing WARNING: atoms too close: (T0378)E68.CG and (T0378)L228.CG only 0.000 apart, marking (T0378)L228.CG as missing WARNING: atoms too close: (T0378)L66.CG and (T0378)L228.CG only 0.000 apart, marking (T0378)L228.CG as missing WARNING: atoms too close: (T0378)E65.CG and (T0378)L228.CG only 0.000 apart, marking (T0378)L228.CG as missing WARNING: atoms too close: (T0378)V64.CG1 and (T0378)L228.CG only 0.000 apart, marking (T0378)L228.CG as missing WARNING: atoms too close: (T0378)L181.CD1 and (T0378)L228.CD1 only 0.000 apart, marking (T0378)L228.CD1 as missing WARNING: atoms too close: (T0378)E68.CD and (T0378)L228.CD1 only 0.000 apart, marking (T0378)L228.CD1 as missing WARNING: atoms too close: (T0378)L66.CD1 and (T0378)L228.CD1 only 0.000 apart, marking (T0378)L228.CD1 as missing WARNING: atoms too close: (T0378)E65.CD and (T0378)L228.CD1 only 0.000 apart, marking (T0378)L228.CD1 as missing WARNING: atoms too close: (T0378)L181.CD2 and (T0378)L228.CD2 only 0.000 apart, marking (T0378)L228.CD2 as missing WARNING: atoms too close: (T0378)L66.CD2 and (T0378)L228.CD2 only 0.000 apart, marking (T0378)L228.CD2 as missing WARNING: atoms too close: (T0378)G227.O and (T0378)L228.O only 0.000 apart, marking (T0378)L228.O as missing WARNING: atoms too close: (T0378)D182.O and (T0378)L228.O only 0.000 apart, marking (T0378)L228.O as missing WARNING: atoms too close: (T0378)L181.O and (T0378)L228.O only 0.000 apart, marking (T0378)L228.O as missing WARNING: atoms too close: (T0378)D71.O and (T0378)L228.O only 0.000 apart, marking (T0378)L228.O as missing WARNING: atoms too close: (T0378)F70.O and (T0378)L228.O only 0.000 apart, marking (T0378)L228.O as missing WARNING: atoms too close: (T0378)S69.O and (T0378)L228.O only 0.000 apart, marking (T0378)L228.O as missing WARNING: atoms too close: (T0378)E68.O and (T0378)L228.O only 0.000 apart, marking (T0378)L228.O as missing WARNING: atoms too close: (T0378)P67.O and (T0378)L228.O only 0.000 apart, marking (T0378)L228.O as missing WARNING: atoms too close: (T0378)L66.O and (T0378)L228.O only 0.000 apart, marking (T0378)L228.O as missing WARNING: atoms too close: (T0378)E65.O and (T0378)L228.O only 0.000 apart, marking (T0378)L228.O as missing WARNING: atoms too close: (T0378)V64.O and (T0378)L228.O only 0.000 apart, marking (T0378)L228.O as missing WARNING: atoms too close: (T0378)G227.C and (T0378)L228.C only 0.000 apart, marking (T0378)L228.C as missing WARNING: atoms too close: (T0378)D182.C and (T0378)L228.C only 0.000 apart, marking (T0378)L228.C as missing WARNING: atoms too close: (T0378)L181.C and (T0378)L228.C only 0.000 apart, marking (T0378)L228.C as missing WARNING: atoms too close: (T0378)D71.C and (T0378)L228.C only 0.000 apart, marking (T0378)L228.C as missing WARNING: atoms too close: (T0378)F70.C and (T0378)L228.C only 0.000 apart, marking (T0378)L228.C as missing WARNING: atoms too close: (T0378)S69.C and (T0378)L228.C only 0.000 apart, marking (T0378)L228.C as missing WARNING: atoms too close: (T0378)E68.C and (T0378)L228.C only 0.000 apart, marking (T0378)L228.C as missing WARNING: atoms too close: (T0378)P67.C and (T0378)L228.C only 0.000 apart, marking (T0378)L228.C as missing WARNING: atoms too close: (T0378)L66.C and (T0378)L228.C only 0.000 apart, marking (T0378)L228.C as missing WARNING: atoms too close: (T0378)E65.C and (T0378)L228.C only 0.000 apart, marking (T0378)L228.C as missing WARNING: atoms too close: (T0378)V64.C and (T0378)L228.C only 0.000 apart, marking (T0378)L228.C as missing WARNING: atoms too close: (T0378)L228.N and (T0378)S229.N only 0.000 apart, marking (T0378)L228.N as missing WARNING: atoms too close: (T0378)G227.N and (T0378)S229.N only 0.000 apart, marking (T0378)G227.N as missing WARNING: atoms too close: (T0378)D182.N and (T0378)S229.N only 0.000 apart, marking (T0378)D182.N as missing WARNING: atoms too close: (T0378)L181.N and (T0378)S229.N only 0.000 apart, marking (T0378)L181.N as missing WARNING: atoms too close: (T0378)D71.N and (T0378)S229.N only 0.000 apart, marking (T0378)D71.N as missing WARNING: atoms too close: (T0378)F70.N and (T0378)S229.N only 0.000 apart, marking (T0378)F70.N as missing WARNING: atoms too close: (T0378)S69.N and (T0378)S229.N only 0.000 apart, marking (T0378)S69.N as missing WARNING: atoms too close: (T0378)E68.N and (T0378)S229.N only 0.000 apart, marking (T0378)E68.N as missing WARNING: atoms too close: (T0378)P67.N and (T0378)S229.N only 0.000 apart, marking (T0378)P67.N as missing WARNING: atoms too close: (T0378)L66.N and (T0378)S229.N only 0.000 apart, marking (T0378)L66.N as missing WARNING: atoms too close: (T0378)E65.N and (T0378)S229.N only 0.000 apart, marking (T0378)E65.N as missing WARNING: atoms too close: (T0378)V64.N and (T0378)S229.N only 0.000 apart, marking (T0378)S229.N as missing WARNING: atoms too close: (T0378)L228.CA and (T0378)S229.CA only 0.000 apart, marking (T0378)S229.CA as missing WARNING: atoms too close: (T0378)G227.CA and (T0378)S229.CA only 0.000 apart, marking (T0378)S229.CA as missing WARNING: atoms too close: (T0378)D182.CA and (T0378)S229.CA only 0.000 apart, marking (T0378)S229.CA as missing WARNING: atoms too close: (T0378)L181.CA and (T0378)S229.CA only 0.000 apart, marking (T0378)S229.CA as missing WARNING: atoms too close: (T0378)D71.CA and (T0378)S229.CA only 0.000 apart, marking (T0378)S229.CA as missing WARNING: atoms too close: (T0378)F70.CA and (T0378)S229.CA only 0.000 apart, marking (T0378)S229.CA as missing WARNING: atoms too close: (T0378)S69.CA and (T0378)S229.CA only 0.000 apart, marking (T0378)S229.CA as missing WARNING: atoms too close: (T0378)E68.CA and (T0378)S229.CA only 0.000 apart, marking (T0378)S229.CA as missing WARNING: atoms too close: (T0378)P67.CA and (T0378)S229.CA only 0.000 apart, marking (T0378)S229.CA as missing WARNING: atoms too close: (T0378)L66.CA and (T0378)S229.CA only 0.000 apart, marking (T0378)S229.CA as missing WARNING: atoms too close: (T0378)E65.CA and (T0378)S229.CA only 0.000 apart, marking (T0378)S229.CA as missing WARNING: atoms too close: (T0378)V64.CA and (T0378)S229.CA only 0.000 apart, marking (T0378)S229.CA as missing WARNING: atoms too close: (T0378)L228.CB and (T0378)S229.CB only 0.000 apart, marking (T0378)S229.CB as missing WARNING: atoms too close: (T0378)D182.CB and (T0378)S229.CB only 0.000 apart, marking (T0378)S229.CB as missing WARNING: atoms too close: (T0378)L181.CB and (T0378)S229.CB only 0.000 apart, marking (T0378)S229.CB as missing WARNING: atoms too close: (T0378)D71.CB and (T0378)S229.CB only 0.000 apart, marking (T0378)S229.CB as missing WARNING: atoms too close: (T0378)F70.CB and (T0378)S229.CB only 0.000 apart, marking (T0378)S229.CB as missing WARNING: atoms too close: (T0378)S69.CB and (T0378)S229.CB only 0.000 apart, marking (T0378)S229.CB as missing WARNING: atoms too close: (T0378)E68.CB and (T0378)S229.CB only 0.000 apart, marking (T0378)S229.CB as missing WARNING: atoms too close: (T0378)P67.CB and (T0378)S229.CB only 0.000 apart, marking (T0378)S229.CB as missing WARNING: atoms too close: (T0378)L66.CB and (T0378)S229.CB only 0.000 apart, marking (T0378)S229.CB as missing WARNING: atoms too close: (T0378)E65.CB and (T0378)S229.CB only 0.000 apart, marking (T0378)S229.CB as missing WARNING: atoms too close: (T0378)V64.CB and (T0378)S229.CB only 0.000 apart, marking (T0378)S229.CB as missing WARNING: atoms too close: (T0378)L228.O and (T0378)S229.O only 0.000 apart, marking (T0378)S229.O as missing WARNING: atoms too close: (T0378)G227.O and (T0378)S229.O only 0.000 apart, marking (T0378)S229.O as missing WARNING: atoms too close: (T0378)D182.O and (T0378)S229.O only 0.000 apart, marking (T0378)S229.O as missing WARNING: atoms too close: (T0378)L181.O and (T0378)S229.O only 0.000 apart, marking (T0378)S229.O as missing WARNING: atoms too close: (T0378)D71.O and (T0378)S229.O only 0.000 apart, marking (T0378)S229.O as missing WARNING: atoms too close: (T0378)F70.O and (T0378)S229.O only 0.000 apart, marking (T0378)S229.O as missing WARNING: atoms too close: (T0378)S69.O and (T0378)S229.O only 0.000 apart, marking (T0378)S229.O as missing WARNING: atoms too close: (T0378)E68.O and (T0378)S229.O only 0.000 apart, marking (T0378)S229.O as missing WARNING: atoms too close: (T0378)P67.O and (T0378)S229.O only 0.000 apart, marking (T0378)S229.O as missing WARNING: atoms too close: (T0378)L66.O and (T0378)S229.O only 0.000 apart, marking (T0378)S229.O as missing WARNING: atoms too close: (T0378)E65.O and (T0378)S229.O only 0.000 apart, marking (T0378)S229.O as missing WARNING: atoms too close: (T0378)V64.O and (T0378)S229.O only 0.000 apart, marking (T0378)S229.O as missing WARNING: atoms too close: (T0378)L228.C and (T0378)S229.C only 0.000 apart, marking (T0378)S229.C as missing WARNING: atoms too close: (T0378)G227.C and (T0378)S229.C only 0.000 apart, marking (T0378)S229.C as missing WARNING: atoms too close: (T0378)D182.C and (T0378)S229.C only 0.000 apart, marking (T0378)S229.C as missing WARNING: atoms too close: (T0378)L181.C and (T0378)S229.C only 0.000 apart, marking (T0378)S229.C as missing WARNING: atoms too close: (T0378)D71.C and (T0378)S229.C only 0.000 apart, marking (T0378)S229.C as missing WARNING: atoms too close: (T0378)F70.C and (T0378)S229.C only 0.000 apart, marking (T0378)S229.C as missing WARNING: atoms too close: (T0378)S69.C and (T0378)S229.C only 0.000 apart, marking (T0378)S229.C as missing WARNING: atoms too close: (T0378)E68.C and (T0378)S229.C only 0.000 apart, marking (T0378)S229.C as missing WARNING: atoms too close: (T0378)P67.C and (T0378)S229.C only 0.000 apart, marking (T0378)S229.C as missing WARNING: atoms too close: (T0378)L66.C and (T0378)S229.C only 0.000 apart, marking (T0378)S229.C as missing WARNING: atoms too close: (T0378)E65.C and (T0378)S229.C only 0.000 apart, marking (T0378)S229.C as missing WARNING: atoms too close: (T0378)V64.C and (T0378)S229.C only 0.000 apart, marking (T0378)S229.C as missing WARNING: atoms too close: (T0378)S229.N and (T0378)V230.N only 0.000 apart, marking (T0378)S229.N as missing WARNING: atoms too close: (T0378)L228.N and (T0378)V230.N only 0.000 apart, marking (T0378)L228.N as missing WARNING: atoms too close: (T0378)G227.N and (T0378)V230.N only 0.000 apart, marking (T0378)G227.N as missing WARNING: atoms too close: (T0378)D182.N and (T0378)V230.N only 0.000 apart, marking (T0378)D182.N as missing WARNING: atoms too close: (T0378)L181.N and (T0378)V230.N only 0.000 apart, marking (T0378)L181.N as missing WARNING: atoms too close: (T0378)D71.N and (T0378)V230.N only 0.000 apart, marking (T0378)D71.N as missing WARNING: atoms too close: (T0378)F70.N and (T0378)V230.N only 0.000 apart, marking (T0378)F70.N as missing WARNING: atoms too close: (T0378)S69.N and (T0378)V230.N only 0.000 apart, marking (T0378)S69.N as missing WARNING: atoms too close: (T0378)E68.N and (T0378)V230.N only 0.000 apart, marking (T0378)E68.N as missing WARNING: atoms too close: (T0378)P67.N and (T0378)V230.N only 0.000 apart, marking (T0378)P67.N as missing WARNING: atoms too close: (T0378)L66.N and (T0378)V230.N only 0.000 apart, marking (T0378)L66.N as missing WARNING: atoms too close: (T0378)E65.N and (T0378)V230.N only 0.000 apart, marking (T0378)E65.N as missing WARNING: atoms too close: (T0378)V64.N and (T0378)V230.N only 0.000 apart, marking (T0378)V230.N as missing WARNING: atoms too close: (T0378)S229.CA and (T0378)V230.CA only 0.000 apart, marking (T0378)V230.CA as missing WARNING: atoms too close: (T0378)L228.CA and (T0378)V230.CA only 0.000 apart, marking (T0378)V230.CA as missing WARNING: atoms too close: (T0378)G227.CA and (T0378)V230.CA only 0.000 apart, marking (T0378)V230.CA as missing WARNING: atoms too close: (T0378)D182.CA and (T0378)V230.CA only 0.000 apart, marking (T0378)V230.CA as missing WARNING: atoms too close: (T0378)L181.CA and (T0378)V230.CA only 0.000 apart, marking (T0378)V230.CA as missing WARNING: atoms too close: (T0378)D71.CA and (T0378)V230.CA only 0.000 apart, marking (T0378)V230.CA as missing WARNING: atoms too close: (T0378)F70.CA and (T0378)V230.CA only 0.000 apart, marking (T0378)V230.CA as missing WARNING: atoms too close: (T0378)S69.CA and (T0378)V230.CA only 0.000 apart, marking (T0378)V230.CA as missing WARNING: atoms too close: (T0378)E68.CA and (T0378)V230.CA only 0.000 apart, marking (T0378)V230.CA as missing WARNING: atoms too close: (T0378)P67.CA and (T0378)V230.CA only 0.000 apart, marking (T0378)V230.CA as missing WARNING: atoms too close: (T0378)L66.CA and (T0378)V230.CA only 0.000 apart, marking (T0378)V230.CA as missing WARNING: atoms too close: (T0378)E65.CA and (T0378)V230.CA only 0.000 apart, marking (T0378)V230.CA as missing WARNING: atoms too close: (T0378)V64.CA and (T0378)V230.CA only 0.000 apart, marking (T0378)V230.CA as missing WARNING: atoms too close: (T0378)S229.CB and (T0378)V230.CB only 0.000 apart, marking (T0378)V230.CB as missing WARNING: atoms too close: (T0378)L228.CB and (T0378)V230.CB only 0.000 apart, marking (T0378)V230.CB as missing WARNING: atoms too close: (T0378)D182.CB and (T0378)V230.CB only 0.000 apart, marking (T0378)V230.CB as missing WARNING: atoms too close: (T0378)L181.CB and (T0378)V230.CB only 0.000 apart, marking (T0378)V230.CB as missing WARNING: atoms too close: (T0378)D71.CB and (T0378)V230.CB only 0.000 apart, marking (T0378)V230.CB as missing WARNING: atoms too close: (T0378)F70.CB and (T0378)V230.CB only 0.000 apart, marking (T0378)V230.CB as missing WARNING: atoms too close: (T0378)S69.CB and (T0378)V230.CB only 0.000 apart, marking (T0378)V230.CB as missing WARNING: atoms too close: (T0378)E68.CB and (T0378)V230.CB only 0.000 apart, marking (T0378)V230.CB as missing WARNING: atoms too close: (T0378)P67.CB and (T0378)V230.CB only 0.000 apart, marking (T0378)V230.CB as missing WARNING: atoms too close: (T0378)L66.CB and (T0378)V230.CB only 0.000 apart, marking (T0378)V230.CB as missing WARNING: atoms too close: (T0378)E65.CB and (T0378)V230.CB only 0.000 apart, marking (T0378)V230.CB as missing WARNING: atoms too close: (T0378)V64.CB and (T0378)V230.CB only 0.000 apart, marking (T0378)V230.CB as missing WARNING: atoms too close: (T0378)L228.CG and (T0378)V230.CG1 only 0.000 apart, marking (T0378)V230.CG1 as missing WARNING: atoms too close: (T0378)D182.CG and (T0378)V230.CG1 only 0.000 apart, marking (T0378)V230.CG1 as missing WARNING: atoms too close: (T0378)L181.CG and (T0378)V230.CG1 only 0.000 apart, marking (T0378)V230.CG1 as missing WARNING: atoms too close: (T0378)D71.CG and (T0378)V230.CG1 only 0.000 apart, marking (T0378)V230.CG1 as missing WARNING: atoms too close: (T0378)F70.CG and (T0378)V230.CG1 only 0.000 apart, marking (T0378)V230.CG1 as missing WARNING: atoms too close: (T0378)E68.CG and (T0378)V230.CG1 only 0.000 apart, marking (T0378)V230.CG1 as missing WARNING: atoms too close: (T0378)L66.CG and (T0378)V230.CG1 only 0.000 apart, marking (T0378)V230.CG1 as missing WARNING: atoms too close: (T0378)E65.CG and (T0378)V230.CG1 only 0.000 apart, marking (T0378)V230.CG1 as missing WARNING: atoms too close: (T0378)V64.CG1 and (T0378)V230.CG1 only 0.000 apart, marking (T0378)V230.CG1 as missing WARNING: atoms too close: (T0378)S229.O and (T0378)V230.O only 0.000 apart, marking (T0378)V230.O as missing WARNING: atoms too close: (T0378)L228.O and (T0378)V230.O only 0.000 apart, marking (T0378)V230.O as missing WARNING: atoms too close: (T0378)G227.O and (T0378)V230.O only 0.000 apart, marking (T0378)V230.O as missing WARNING: atoms too close: (T0378)D182.O and (T0378)V230.O only 0.000 apart, marking (T0378)V230.O as missing WARNING: atoms too close: (T0378)L181.O and (T0378)V230.O only 0.000 apart, marking (T0378)V230.O as missing WARNING: atoms too close: (T0378)D71.O and (T0378)V230.O only 0.000 apart, marking (T0378)V230.O as missing WARNING: atoms too close: (T0378)F70.O and (T0378)V230.O only 0.000 apart, marking (T0378)V230.O as missing WARNING: atoms too close: (T0378)S69.O and (T0378)V230.O only 0.000 apart, marking (T0378)V230.O as missing WARNING: atoms too close: (T0378)E68.O and (T0378)V230.O only 0.000 apart, marking (T0378)V230.O as missing WARNING: atoms too close: (T0378)P67.O and (T0378)V230.O only 0.000 apart, marking (T0378)V230.O as missing WARNING: atoms too close: (T0378)L66.O and (T0378)V230.O only 0.000 apart, marking (T0378)V230.O as missing WARNING: atoms too close: (T0378)E65.O and (T0378)V230.O only 0.000 apart, marking (T0378)V230.O as missing WARNING: atoms too close: (T0378)V64.O and (T0378)V230.O only 0.000 apart, marking (T0378)V230.O as missing WARNING: atoms too close: (T0378)S229.C and (T0378)V230.C only 0.000 apart, marking (T0378)V230.C as missing WARNING: atoms too close: (T0378)L228.C and (T0378)V230.C only 0.000 apart, marking (T0378)V230.C as missing WARNING: atoms too close: (T0378)G227.C and (T0378)V230.C only 0.000 apart, marking (T0378)V230.C as missing WARNING: atoms too close: (T0378)D182.C and (T0378)V230.C only 0.000 apart, marking (T0378)V230.C as missing WARNING: atoms too close: (T0378)L181.C and (T0378)V230.C only 0.000 apart, marking (T0378)V230.C as missing WARNING: atoms too close: (T0378)D71.C and (T0378)V230.C only 0.000 apart, marking (T0378)V230.C as missing WARNING: atoms too close: (T0378)F70.C and (T0378)V230.C only 0.000 apart, marking (T0378)V230.C as missing WARNING: atoms too close: (T0378)S69.C and (T0378)V230.C only 0.000 apart, marking (T0378)V230.C as missing WARNING: atoms too close: (T0378)E68.C and (T0378)V230.C only 0.000 apart, marking (T0378)V230.C as missing WARNING: atoms too close: (T0378)P67.C and (T0378)V230.C only 0.000 apart, marking (T0378)V230.C as missing WARNING: atoms too close: (T0378)L66.C and (T0378)V230.C only 0.000 apart, marking (T0378)V230.C as missing WARNING: atoms too close: (T0378)E65.C and (T0378)V230.C only 0.000 apart, marking (T0378)V230.C as missing WARNING: atoms too close: (T0378)V64.C and (T0378)V230.C only 0.000 apart, marking (T0378)V230.C as missing WARNING: atoms too close: (T0378)V230.N and (T0378)K231.N only 0.000 apart, marking (T0378)V230.N as missing WARNING: atoms too close: (T0378)S229.N and (T0378)K231.N only 0.000 apart, marking (T0378)S229.N as missing WARNING: atoms too close: (T0378)L228.N and (T0378)K231.N only 0.000 apart, marking (T0378)L228.N as missing WARNING: atoms too close: (T0378)G227.N and (T0378)K231.N only 0.000 apart, marking (T0378)G227.N as missing WARNING: atoms too close: (T0378)D182.N and (T0378)K231.N only 0.000 apart, marking (T0378)D182.N as missing WARNING: atoms too close: (T0378)L181.N and (T0378)K231.N only 0.000 apart, marking (T0378)L181.N as missing WARNING: atoms too close: (T0378)D71.N and (T0378)K231.N only 0.000 apart, marking (T0378)D71.N as missing WARNING: atoms too close: (T0378)F70.N and (T0378)K231.N only 0.000 apart, marking (T0378)F70.N as missing WARNING: atoms too close: (T0378)S69.N and (T0378)K231.N only 0.000 apart, marking (T0378)S69.N as missing WARNING: atoms too close: (T0378)E68.N and (T0378)K231.N only 0.000 apart, marking (T0378)E68.N as missing WARNING: atoms too close: (T0378)P67.N and (T0378)K231.N only 0.000 apart, marking (T0378)P67.N as missing WARNING: atoms too close: (T0378)L66.N and (T0378)K231.N only 0.000 apart, marking (T0378)L66.N as missing WARNING: atoms too close: (T0378)E65.N and (T0378)K231.N only 0.000 apart, marking (T0378)E65.N as missing WARNING: atoms too close: (T0378)V64.N and (T0378)K231.N only 0.000 apart, marking (T0378)K231.N as missing WARNING: atoms too close: (T0378)V230.CA and (T0378)K231.CA only 0.000 apart, marking (T0378)K231.CA as missing WARNING: atoms too close: (T0378)S229.CA and (T0378)K231.CA only 0.000 apart, marking (T0378)K231.CA as missing WARNING: atoms too close: (T0378)L228.CA and (T0378)K231.CA only 0.000 apart, marking (T0378)K231.CA as missing WARNING: atoms too close: (T0378)G227.CA and (T0378)K231.CA only 0.000 apart, marking (T0378)K231.CA as missing WARNING: atoms too close: (T0378)D182.CA and (T0378)K231.CA only 0.000 apart, marking (T0378)K231.CA as missing WARNING: atoms too close: (T0378)L181.CA and (T0378)K231.CA only 0.000 apart, marking (T0378)K231.CA as missing WARNING: atoms too close: (T0378)D71.CA and (T0378)K231.CA only 0.000 apart, marking (T0378)K231.CA as missing WARNING: atoms too close: (T0378)F70.CA and (T0378)K231.CA only 0.000 apart, marking (T0378)K231.CA as missing WARNING: atoms too close: (T0378)S69.CA and (T0378)K231.CA only 0.000 apart, marking (T0378)K231.CA as missing WARNING: atoms too close: (T0378)E68.CA and (T0378)K231.CA only 0.000 apart, marking (T0378)K231.CA as missing WARNING: atoms too close: (T0378)P67.CA and (T0378)K231.CA only 0.000 apart, marking (T0378)K231.CA as missing WARNING: atoms too close: (T0378)L66.CA and (T0378)K231.CA only 0.000 apart, marking (T0378)K231.CA as missing WARNING: atoms too close: (T0378)E65.CA and (T0378)K231.CA only 0.000 apart, marking (T0378)K231.CA as missing WARNING: atoms too close: (T0378)V64.CA and (T0378)K231.CA only 0.000 apart, marking (T0378)K231.CA as missing WARNING: atoms too close: (T0378)V230.CB and (T0378)K231.CB only 0.000 apart, marking (T0378)K231.CB as missing WARNING: atoms too close: (T0378)S229.CB and (T0378)K231.CB only 0.000 apart, marking (T0378)K231.CB as missing WARNING: atoms too close: (T0378)L228.CB and (T0378)K231.CB only 0.000 apart, marking (T0378)K231.CB as missing WARNING: atoms too close: (T0378)D182.CB and (T0378)K231.CB only 0.000 apart, marking (T0378)K231.CB as missing WARNING: atoms too close: (T0378)L181.CB and (T0378)K231.CB only 0.000 apart, marking (T0378)K231.CB as missing WARNING: atoms too close: (T0378)D71.CB and (T0378)K231.CB only 0.000 apart, marking (T0378)K231.CB as missing WARNING: atoms too close: (T0378)F70.CB and (T0378)K231.CB only 0.000 apart, marking (T0378)K231.CB as missing WARNING: atoms too close: (T0378)S69.CB and (T0378)K231.CB only 0.000 apart, marking (T0378)K231.CB as missing WARNING: atoms too close: (T0378)E68.CB and (T0378)K231.CB only 0.000 apart, marking (T0378)K231.CB as missing WARNING: atoms too close: (T0378)P67.CB and (T0378)K231.CB only 0.000 apart, marking (T0378)K231.CB as missing WARNING: atoms too close: (T0378)L66.CB and (T0378)K231.CB only 0.000 apart, marking (T0378)K231.CB as missing WARNING: atoms too close: (T0378)E65.CB and (T0378)K231.CB only 0.000 apart, marking (T0378)K231.CB as missing WARNING: atoms too close: (T0378)V64.CB and (T0378)K231.CB only 0.000 apart, marking (T0378)K231.CB as missing WARNING: atoms too close: (T0378)V230.CG1 and (T0378)K231.CG only 0.000 apart, marking (T0378)K231.CG as missing WARNING: atoms too close: (T0378)L228.CG and (T0378)K231.CG only 0.000 apart, marking (T0378)K231.CG as missing WARNING: atoms too close: (T0378)D182.CG and (T0378)K231.CG only 0.000 apart, marking (T0378)K231.CG as missing WARNING: atoms too close: (T0378)L181.CG and (T0378)K231.CG only 0.000 apart, marking (T0378)K231.CG as missing WARNING: atoms too close: (T0378)D71.CG and (T0378)K231.CG only 0.000 apart, marking (T0378)K231.CG as missing WARNING: atoms too close: (T0378)F70.CG and (T0378)K231.CG only 0.000 apart, marking (T0378)K231.CG as missing WARNING: atoms too close: (T0378)E68.CG and (T0378)K231.CG only 0.000 apart, marking (T0378)K231.CG as missing WARNING: atoms too close: (T0378)L66.CG and (T0378)K231.CG only 0.000 apart, marking (T0378)K231.CG as missing WARNING: atoms too close: (T0378)E65.CG and (T0378)K231.CG only 0.000 apart, marking (T0378)K231.CG as missing WARNING: atoms too close: (T0378)V64.CG1 and (T0378)K231.CG only 0.000 apart, marking (T0378)K231.CG as missing WARNING: atoms too close: (T0378)L228.CD1 and (T0378)K231.CD only 0.000 apart, marking (T0378)K231.CD as missing WARNING: atoms too close: (T0378)L181.CD1 and (T0378)K231.CD only 0.000 apart, marking (T0378)K231.CD as missing WARNING: atoms too close: (T0378)E68.CD and (T0378)K231.CD only 0.000 apart, marking (T0378)K231.CD as missing WARNING: atoms too close: (T0378)L66.CD1 and (T0378)K231.CD only 0.000 apart, marking (T0378)K231.CD as missing WARNING: atoms too close: (T0378)E65.CD and (T0378)K231.CD only 0.000 apart, marking (T0378)K231.CD as missing WARNING: atoms too close: (T0378)V230.O and (T0378)K231.O only 0.000 apart, marking (T0378)K231.O as missing WARNING: atoms too close: (T0378)S229.O and (T0378)K231.O only 0.000 apart, marking (T0378)K231.O as missing WARNING: atoms too close: (T0378)L228.O and (T0378)K231.O only 0.000 apart, marking (T0378)K231.O as missing WARNING: atoms too close: (T0378)G227.O and (T0378)K231.O only 0.000 apart, marking (T0378)K231.O as missing WARNING: atoms too close: (T0378)D182.O and (T0378)K231.O only 0.000 apart, marking (T0378)K231.O as missing WARNING: atoms too close: (T0378)L181.O and (T0378)K231.O only 0.000 apart, marking (T0378)K231.O as missing WARNING: atoms too close: (T0378)D71.O and (T0378)K231.O only 0.000 apart, marking (T0378)K231.O as missing WARNING: atoms too close: (T0378)F70.O and (T0378)K231.O only 0.000 apart, marking (T0378)K231.O as missing WARNING: atoms too close: (T0378)S69.O and (T0378)K231.O only 0.000 apart, marking (T0378)K231.O as missing WARNING: atoms too close: (T0378)E68.O and (T0378)K231.O only 0.000 apart, marking (T0378)K231.O as missing WARNING: atoms too close: (T0378)P67.O and (T0378)K231.O only 0.000 apart, marking (T0378)K231.O as missing WARNING: atoms too close: (T0378)L66.O and (T0378)K231.O only 0.000 apart, marking (T0378)K231.O as missing WARNING: atoms too close: (T0378)E65.O and (T0378)K231.O only 0.000 apart, marking (T0378)K231.O as missing WARNING: atoms too close: (T0378)V64.O and (T0378)K231.O only 0.000 apart, marking (T0378)K231.O as missing WARNING: atoms too close: (T0378)V230.C and (T0378)K231.C only 0.000 apart, marking (T0378)K231.C as missing WARNING: atoms too close: (T0378)S229.C and (T0378)K231.C only 0.000 apart, marking (T0378)K231.C as missing WARNING: atoms too close: (T0378)L228.C and (T0378)K231.C only 0.000 apart, marking (T0378)K231.C as missing WARNING: atoms too close: (T0378)G227.C and (T0378)K231.C only 0.000 apart, marking (T0378)K231.C as missing WARNING: atoms too close: (T0378)D182.C and (T0378)K231.C only 0.000 apart, marking (T0378)K231.C as missing WARNING: atoms too close: (T0378)L181.C and (T0378)K231.C only 0.000 apart, marking (T0378)K231.C as missing WARNING: atoms too close: (T0378)D71.C and (T0378)K231.C only 0.000 apart, marking (T0378)K231.C as missing WARNING: atoms too close: (T0378)F70.C and (T0378)K231.C only 0.000 apart, marking (T0378)K231.C as missing WARNING: atoms too close: (T0378)S69.C and (T0378)K231.C only 0.000 apart, marking (T0378)K231.C as missing WARNING: atoms too close: (T0378)E68.C and (T0378)K231.C only 0.000 apart, marking (T0378)K231.C as missing WARNING: atoms too close: (T0378)P67.C and (T0378)K231.C only 0.000 apart, marking (T0378)K231.C as missing WARNING: atoms too close: (T0378)L66.C and (T0378)K231.C only 0.000 apart, marking (T0378)K231.C as missing WARNING: atoms too close: (T0378)E65.C and (T0378)K231.C only 0.000 apart, marking (T0378)K231.C as missing WARNING: atoms too close: (T0378)V64.C and (T0378)K231.C only 0.000 apart, marking (T0378)K231.C as missing # WARNING: incomplete conformation T0378 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # Found a chain break before 253 # copying to AlignedFragments data structure # naming current conformation shub_TS1 # command:Using radius: 8.0000 Metaserver mode NUMB_ALIGNS: 255 Adding 9012 constraints to all.constraints Done adding distance constraints # command:Reading probabilities from probabilities.dat Reading constraints from ConstraintSet all.constraints maxweight: 224.0000 Optimizing... Probability sum: -446.6580, CN propb: -446.6580 weights: 0.3001 constraints: 926 # command:Found ConstraintSet # PrintContacts align.constraints_meta01 Number of constraints in align.constraints 926 # command:Found ConstraintSet # PrintContacts align_bonus.constraints_meta01 Number of constraints in align.constraints.bonus 926 # command:Found ConstraintSet # PrintContacts rejected.constraints_meta01 Number of constraints in rejected.constraints 8086 # command:Found ConstraintSet # PrintContacts rejected_bonus.constraints_meta01 Number of constraints in rejected.constraints.bonus 8086 # command:Found ConstraintSet # PrintContacts non_contacts.constraints_meta01 Number of constraints in noncontact.constraints 0 # command:Found ConstraintSet # PrintContacts non_contacts_bonus.constraints_meta01 Number of constraints in noncontact.constraints.bonus 0 # command:Found ConstraintSet # PrintContacts all.constraints_meta01 Number of constraints in all.constraints 9012 # command: