# 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/T0339/ # command:# Making conformation for sequence T0339 numbered 1 through 416 Created new target T0339 from T0339.a2m # command:# Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0339/ # command:Warning: Couldn't open file /projects/compbio/experiments/protein-predict/casp7/T0339//projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0339/manyalignments-good-all.under or /projects/compbio/experiments/protein-predict/casp7/T0339//projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0339/manyalignments-good-all.under.gz for input Trying /projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0339/manyalignments-good-all.under # reading script from file /projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0339/manyalignments-good-all.under # Reading fragments from alignment file # Attempting to read fragment alignments from file 1cl1A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1cl1A expands to /projects/compbio/data/pdb/1cl1.pdb.gz 1cl1A:Bad short name: N1 for alphabet: pdb_atoms Bad short name: C2 for alphabet: pdb_atoms Bad short name: C2' for alphabet: pdb_atoms Bad short name: C3 for alphabet: pdb_atoms Bad short name: O3 for alphabet: pdb_atoms Bad short name: C4 for alphabet: pdb_atoms Bad short name: C4' for alphabet: pdb_atoms Bad short name: C5 for alphabet: pdb_atoms Bad short name: C6 for alphabet: pdb_atoms Bad short name: C5' for alphabet: pdb_atoms Bad short name: OP4 for alphabet: pdb_atoms Bad short name: P for alphabet: pdb_atoms Bad short name: OP1 for alphabet: pdb_atoms Bad short name: OP2 for alphabet: pdb_atoms Bad short name: OP3 for alphabet: pdb_atoms # T0339 read from 1cl1A/merged-good-all-a2m # 1cl1A read from 1cl1A/merged-good-all-a2m # adding 1cl1A to template set # found chain 1cl1A in template set Warning: unaligning (T0339)H230 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1cl1A)Y211 Warning: unaligning (T0339)F232 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1cl1A)Y211 T0339 44 :KDIINAARESLAKMIGG 1cl1A 61 :TLTHFSLQQAMCELEGG # choosing archetypes in rotamer library T0339 63 :QDIIFTSGGTESNNLVIHSVV 1cl1A 78 :AGCVLFPCGAAAVANSILAFI T0339 105 :GAKPHFITSSVEHDSIRLPLEHLVEEQVAAVTFVPV 1cl1A 99 :EQGDHVLMTNTAYEPSQDFCSKILSKLGVTTSWFDP T0339 141 :SK 1cl1A 137 :GA T0339 151 :DILAAVRPTTRLVTIMLANNETGIVMPVPEISQRIKALN 1cl1A 139 :DIVKHLQPNTKIVFLESPGSITMEVHDVPAIVAAVRSVV T0339 198 :PPILVHTDAAQALGKQRVDV 1cl1A 178 :PDAIIMIDNTWAAGVLFKAL T0339 219 :DLGVDFLTIVG 1cl1A 198 :DFGIDVSIQAA T0339 233 :Y 1cl1A 212 :L T0339 234 :GP 1cl1A 214 :GH T0339 236 :R 1cl1A 217 :D T0339 237 :IGALYIRG 1cl1A 220 :IGTAVCNA T0339 246 :GEFTPLYPMLFGGGQERNFR 1cl1A 228 :RCWEQLRENAYLMGQMVDAD T0339 276 :GLGKAAELVTQ 1cl1A 248 :TAYITSRGLRT T0339 287 :NCEAYEAHMRDVRDYLE 1cl1A 262 :RLRQHHESSLKVAEWLA T0339 308 :AEFG 1cl1A 279 :EHPQ T0339 315 :I 1cl1A 283 :V T0339 316 :HLNSQFPGT 1cl1A 285 :RVNHPALPG T0339 325 :QRLPNTCNFSIRGP 1cl1A 305 :TGSSGLFSFVLKKK T0339 340 :LQGHVVLAQCRV 1cl1A 319 :LNNEELANYLDN T0339 352 :LMA 1cl1A 336 :MAY T0339 374 :SYGVPFDVARNALRLSVGR 1cl1A 359 :RPQGEIDFSGTLIRLHIGL T0339 397 :AEVDLVVQDLKQAVAQL 1cl1A 378 :EDVDDLIADLDAGFARI Number of specific fragments extracted= 22 number of extra gaps= 0 total=22 Number of alignments=1 # 1cl1A read from 1cl1A/merged-good-all-a2m # found chain 1cl1A in template set Warning: unaligning (T0339)H230 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1cl1A)Y211 T0339 10 :ATTPLEPEVIQ 1cl1A 33 :SLVFDSVEAKK T0339 25 :AMWEAWGNPSS 1cl1A 44 :HATRNRANGEL T0339 38 :SAGRKAKDIINAARESLAKMIGG 1cl1A 55 :FYGRRGTLTHFSLQQAMCELEGG T0339 63 :QDIIFTSGGTESNNLVIHSV 1cl1A 78 :AGCVLFPCGAAAVANSILAF T0339 91 :TSKGH 1cl1A 98 :IEQGD T0339 109 :HFITSSVEHDSIRLPLEHLVEEQVAAVTFVPVSKV 1cl1A 103 :HVLMTNTAYEPSQDFCSKILSKLGVTTSWFDPLIG T0339 151 :DILAAVRPTTRLVTIMLANNETGIVMPVPEISQ 1cl1A 139 :DIVKHLQPNTKIVFLESPGSITMEVHDVPAIVA T0339 188 :LNQER 1cl1A 172 :AVRSV T0339 197 :LPPILVHTDAAQALGKQRVDV 1cl1A 177 :VPDAIIMIDNTWAAGVLFKAL T0339 219 :DLGVDFLTIVG 1cl1A 198 :DFGIDVSIQAA T0339 232 :FYGPR 1cl1A 212 :LVGHS T0339 237 :IGALYIR 1cl1A 220 :IGTAVCN T0339 244 :GLGEFTPLYPMLFG 1cl1A 228 :RCWEQLRENAYLMG T0339 267 :GTENTPMIAGLGKAAELVTQNCEAYEAHMRDVRDYLEE 1cl1A 242 :QMVDADTAYITSRGLRTLGVRLRQHHESSLKVAEWLAE T0339 312 :QKRI 1cl1A 280 :HPQV T0339 316 :HLNSQFPGT 1cl1A 285 :RVNHPALPG T0339 325 :QRLPNTCNFSIR 1cl1A 305 :TGSSGLFSFVLK T0339 337 :G 1cl1A 318 :K T0339 340 :LQGHVVLAQCRV 1cl1A 319 :LNNEELANYLDN T0339 352 :LMASVGAACH 1cl1A 333 :LFSMAYSWGG T0339 367 :QPSPVLLS 1cl1A 351 :QPEHIAAI T0339 375 :YGVPFDVARNALRLSVGRS 1cl1A 360 :PQGEIDFSGTLIRLHIGLE T0339 395 :T 1cl1A 379 :D T0339 399 :VDLVVQDLKQAVAQL 1cl1A 380 :VDDLIADLDAGFARI Number of specific fragments extracted= 24 number of extra gaps= 0 total=46 Number of alignments=2 # 1cl1A read from 1cl1A/merged-good-all-a2m # found chain 1cl1A in template set Warning: unaligning (T0339)H230 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1cl1A)Y211 Warning: unaligning (T0339)F232 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1cl1A)Y211 T0339 24 :KAMWEAWGNPS 1cl1A 43 :KHATRNRANGE T0339 37 :YSAGRKAKDIINAARESLAKMIGG 1cl1A 54 :LFYGRRGTLTHFSLQQAMCELEGG T0339 64 :DIIFTSGGTESNNLVIHSV 1cl1A 79 :GCVLFPCGAAAVANSILAF T0339 104 :KGAKPHFITSSVEHDSIRLPLEHLVEEQVAAVTFVPVS 1cl1A 98 :IEQGDHVLMTNTAYEPSQDFCSKILSKLGVTTSWFDPL T0339 148 :EVDDILAAVRPTTRLVTIMLANNETGIVMPVPEISQRIKA 1cl1A 136 :IGADIVKHLQPNTKIVFLESPGSITMEVHDVPAIVAAVRS T0339 196 :GLPPILVHTDAAQALGKQ 1cl1A 176 :VVPDAIIMIDNTWAAGVL T0339 215 :VDVEDLGVDFLTIVG 1cl1A 194 :FKALDFGIDVSIQAA T0339 233 :YGPR 1cl1A 212 :LVGH T0339 237 :IGALYIRGLGEFTPLYPMLFGGGQ 1cl1A 220 :IGTAVCNARCWEQLRENAYLMGQM T0339 274 :IAGLGKAAELVT 1cl1A 246 :ADTAYITSRGLR T0339 286 :QNCEAYEAHMR 1cl1A 261 :VRLRQHHESSL T0339 301 :YLEERLEAEFGQKRIHLNSQFP 1cl1A 272 :KVAEWLAEHPQVARVNHPALPG T0339 323 :GTQRLPNTCNFSIRG 1cl1A 303 :DFTGSSGLFSFVLKK T0339 338 :PRLQGHVVLAQCR 1cl1A 319 :LNNEELANYLDNF T0339 358 :AACHS 1cl1A 332 :SLFSM T0339 369 :SPVLLSY 1cl1A 352 :PEHIAAI T0339 376 :GVPFDVARNALRLSVGRSTTR 1cl1A 361 :QGEIDFSGTLIRLHIGLEDVD T0339 401 :LVVQDLKQAVAQL 1cl1A 382 :DLIADLDAGFARI Number of specific fragments extracted= 18 number of extra gaps= 0 total=64 Number of alignments=3 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2bwnA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2bwnA expands to /projects/compbio/data/pdb/2bwn.pdb.gz 2bwnA:Skipped atom 279, because occupancy 0.3 <= existing 0.700 in 2bwnA Skipped atom 281, because occupancy 0.300 <= existing 0.700 in 2bwnA Skipped atom 283, because occupancy 0.300 <= existing 0.700 in 2bwnA Skipped atom 285, because occupancy 0.300 <= existing 0.700 in 2bwnA Skipped atom 287, because occupancy 0.300 <= existing 0.700 in 2bwnA Skipped atom 289, because occupancy 0.300 <= existing 0.700 in 2bwnA Skipped atom 291, because occupancy 0.300 <= existing 0.700 in 2bwnA Skipped atom 293, because occupancy 0.300 <= existing 0.700 in 2bwnA Skipped atom 295, because occupancy 0.300 <= existing 0.700 in 2bwnA Skipped atom 722, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 724, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 726, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 728, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 730, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 732, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 734, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 736, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 738, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 740, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 742, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 983, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 985, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 987, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 989, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 991, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 993, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 995, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 997, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 999, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 1001, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 1003, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 1216, because occupancy 0.300 <= existing 0.700 in 2bwnA Skipped atom 1218, because occupancy 0.300 <= existing 0.700 in 2bwnA Skipped atom 1220, because occupancy 0.300 <= existing 0.700 in 2bwnA Skipped atom 1222, because occupancy 0.300 <= existing 0.700 in 2bwnA Skipped atom 1224, because occupancy 0.300 <= existing 0.700 in 2bwnA Skipped atom 1226, because occupancy 0.300 <= existing 0.700 in 2bwnA Skipped atom 1228, because occupancy 0.300 <= existing 0.700 in 2bwnA Skipped atom 1230, because occupancy 0.300 <= existing 0.700 in 2bwnA Skipped atom 1232, because occupancy 0.300 <= existing 0.700 in 2bwnA Skipped atom 1609, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 1611, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 1613, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 1615, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 1617, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 1619, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 1621, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 1623, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 1625, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 1848, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 1850, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 1852, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 1854, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 1856, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 1858, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 1860, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 1862, because occupancy 0.500 <= existing 0.500 in 2bwnA Bad short name: N1 for alphabet: pdb_atoms Bad short name: C2 for alphabet: pdb_atoms Bad short name: C2' for alphabet: pdb_atoms Bad short name: C3 for alphabet: pdb_atoms Bad short name: O3 for alphabet: pdb_atoms Bad short name: C4 for alphabet: pdb_atoms Bad short name: C4' for alphabet: pdb_atoms Bad short name: C5 for alphabet: pdb_atoms Bad short name: C6 for alphabet: pdb_atoms Bad short name: C5' for alphabet: pdb_atoms Bad short name: OP4 for alphabet: pdb_atoms Bad short name: P for alphabet: pdb_atoms Bad short name: OP1 for alphabet: pdb_atoms Bad short name: OP2 for alphabet: pdb_atoms Bad short name: OP3 for alphabet: pdb_atoms Skipped atom 2412, because occupancy 0.300 <= existing 0.700 in 2bwnA Skipped atom 2414, because occupancy 0.300 <= existing 0.700 in 2bwnA Skipped atom 2416, because occupancy 0.300 <= existing 0.700 in 2bwnA Skipped atom 2418, because occupancy 0.300 <= existing 0.700 in 2bwnA Skipped atom 2420, because occupancy 0.300 <= existing 0.700 in 2bwnA Skipped atom 2422, because occupancy 0.300 <= existing 0.700 in 2bwnA Skipped atom 2424, because occupancy 0.300 <= existing 0.700 in 2bwnA Skipped atom 2426, because occupancy 0.300 <= existing 0.700 in 2bwnA Skipped atom 2544, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 2546, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 2548, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 2550, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 2552, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 2554, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 2556, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 2558, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 2676, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 2678, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 2680, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 2682, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 2684, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 2686, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 2688, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 2690, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 2692, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 2694, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 2738, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 2740, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 2742, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 2744, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 2746, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 2748, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 2750, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 2752, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 3021, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 3023, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 3025, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 3027, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 3029, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 3031, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 3033, because occupancy 0.500 <= existing 0.500 in 2bwnA Skipped atom 3035, because occupancy 0.500 <= existing 0.500 in 2bwnA # T0339 read from 2bwnA/merged-good-all-a2m # 2bwnA read from 2bwnA/merged-good-all-a2m # adding 2bwnA to template set # found chain 2bwnA in template set Warning: unaligning (T0339)H230 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (2bwnA)A249 Warning: unaligning (T0339)F232 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (2bwnA)A249 Warning: unaligning (T0339)A239 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2bwnA)I257 Warning: unaligning (T0339)L240 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2bwnA)I257 T0339 4 :VYMDYNATTPL 2bwnA 48 :ITVWCGNDYLG T0339 15 :EPEVIQAMTKAMWEAWGN 2bwnA 62 :HPVVLAAMHEALEAVGAG T0339 33 :PSSPYSAG 2bwnA 86 :ISGTTAYH T0339 48 :NAARESLAKMIGGKP 2bwnA 94 :RRLEAEIAGLHQKEA T0339 65 :IIFTSGGTESNNLVIHSVVKH 2bwnA 109 :ALVFSSAYNANDATLSTLRVL T0339 105 :GAKPHFITSSV 2bwnA 130 :FPGLIIYSDSL T0339 120 :IRLPLEHLVEEQVAAVTFVPVS 2bwnA 141 :NHASMIEGIKRNAGPKRIFRHN T0339 148 :EVDDILAAV 2bwnA 163 :DVAHLRELI T0339 157 :RPT 2bwnA 175 :DPA T0339 160 :TRLVTIMLANNETGIVMPVPEISQRIKALN 2bwnA 179 :PKLIAFESVYSMDGDFGPIKEICDIAEEFG T0339 200 :ILVHTDAAQALGKQ 2bwnA 209 :ALTYIDEVHAVGMY T0339 217 :VED 2bwnA 236 :MHR T0339 222 :VDFLTIVG 2bwnA 239 :IDIFNGTL T0339 233 :YGPRIG 2bwnA 250 :YGVFGG T0339 241 :YIRG 2bwnA 258 :AASA T0339 246 :G 2bwnA 262 :R T0339 265 :RPGTENTPMIAGLGKAAELVTQ 2bwnA 276 :FSTSLPPAIAAGAQASIAFLKT T0339 287 :NCEAYEAHMRDVRDYLEERLEAE 2bwnA 299 :EGQKLRDAQQMHAKVLKMRLKAL T0339 311 :G 2bwnA 322 :G T0339 315 :IHLNSQ 2bwnA 323 :MPIIDH T0339 323 :G 2bwnA 329 :G T0339 328 :PNTCNFSIR 2bwnA 330 :SHIVPVVIG T0339 341 :QGHVVLAQCRVLMASVG 2bwnA 339 :DPVHTKAVSDMLLSDYG T0339 358 :AACHSDH 2bwnA 359 :QPINFPT T0339 377 :VPFD 2bwnA 366 :VPRG T0339 383 :RNALRLSVGRSTTRAEVDLVVQDLKQA 2bwnA 370 :TERLRFTPSPVHDLKQIDGLVHAMDLL Number of specific fragments extracted= 26 number of extra gaps= 1 total=90 Number of alignments=4 # 2bwnA read from 2bwnA/merged-good-all-a2m # found chain 2bwnA in template set Warning: unaligning (T0339)H230 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (2bwnA)A249 Warning: unaligning (T0339)A239 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2bwnA)I257 Warning: unaligning (T0339)L240 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2bwnA)I257 T0339 2 :RK 2bwnA 44 :GK T0339 4 :VYMDYNATT 2bwnA 50 :VWCGNDYLG T0339 13 :PLEPEVIQAMTKAMWE 2bwnA 60 :GQHPVVLAAMHEALEA T0339 30 :WGNPSSPYSAGRKAKDIINAARESLAKMIGG 2bwnA 76 :VGAGSGGTRNISGTTAYHRRLEAEIAGLHQK T0339 63 :QDIIFTSGGTESNNLVIHSVVK 2bwnA 107 :EAALVFSSAYNANDATLSTLRV T0339 91 :TSKGH 2bwnA 129 :LFPGL T0339 109 :HFITSSVEHDSIRLPLEHL 2bwnA 134 :IIYSDSLNHASMIEGIKRN T0339 132 :VAAVTFVPVS 2bwnA 153 :AGPKRIFRHN T0339 148 :EVDDILAAVR 2bwnA 163 :DVAHLRELIA T0339 158 :PT 2bwnA 176 :PA T0339 160 :TRLVTIMLANNETGIVMPVPEISQ 2bwnA 179 :PKLIAFESVYSMDGDFGPIKEICD T0339 188 :LNQER 2bwnA 203 :IAEEF T0339 199 :PILVHTDAAQALGKQR 2bwnA 208 :GALTYIDEVHAVGMYG T0339 217 :VED 2bwnA 236 :MHR T0339 222 :VDFLTIVG 2bwnA 239 :IDIFNGTL T0339 232 :FYGP 2bwnA 250 :YGVF T0339 237 :IG 2bwnA 254 :GG T0339 241 :YIR 2bwnA 258 :AAS T0339 244 :GLGEFT 2bwnA 262 :RMVDAV T0339 250 :PLYPMLFG 2bwnA 269 :SYAPGFIF T0339 266 :PGTENTPMIAGLGKAAELVTQ 2bwnA 277 :STSLPPAIAAGAQASIAFLKT T0339 287 :NCEAYEAHMRDVRDYLEERLEAE 2bwnA 299 :EGQKLRDAQQMHAKVLKMRLKAL T0339 314 :RIHLNSQ 2bwnA 322 :GMPIIDH T0339 322 :P 2bwnA 329 :G T0339 328 :PNTCNFSIRGP 2bwnA 330 :SHIVPVVIGDP T0339 340 :LQGHVVLAQCRV 2bwnA 341 :VHTKAVSDMLLS T0339 352 :LMASVGAACHSDHG 2bwnA 356 :VYVQPINFPTVPRG T0339 383 :RNALRLSVGRSTTRAEVDLVVQDLKQA 2bwnA 370 :TERLRFTPSPVHDLKQIDGLVHAMDLL Number of specific fragments extracted= 28 number of extra gaps= 1 total=118 Number of alignments=5 # 2bwnA read from 2bwnA/merged-good-all-a2m # found chain 2bwnA in template set Warning: unaligning (T0339)H230 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (2bwnA)A249 Warning: unaligning (T0339)F232 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (2bwnA)A249 Warning: unaligning (T0339)A239 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2bwnA)I257 Warning: unaligning (T0339)L240 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2bwnA)I257 T0339 15 :EPEVIQAMTKAMWEAWGNPS 2bwnA 62 :HPVVLAAMHEALEAVGAGSG T0339 35 :SPYSAG 2bwnA 83 :TRNISG T0339 45 :DIINAARESLAKMIGG 2bwnA 91 :AYHRRLEAEIAGLHQK T0339 64 :DIIFTSGGTESNNLVIHSV 2bwnA 108 :AALVFSSAYNANDATLSTL T0339 102 :PVKGAKPHFITSSVEHDSIRLPL 2bwnA 127 :RVLFPGLIIYSDSLNHASMIEGI T0339 129 :EEQVAAVTFVPVS 2bwnA 150 :KRNAGPKRIFRHN T0339 148 :EVDDILAAV 2bwnA 163 :DVAHLRELI T0339 157 :RPTTRLVTIMLANNETGIVMPVPEISQRIKA 2bwnA 176 :PAAPKLIAFESVYSMDGDFGPIKEICDIAEE T0339 198 :PPILVHTDAAQALGKQRVD 2bwnA 207 :FGALTYIDEVHAVGMYGPR T0339 217 :VED 2bwnA 236 :MHR T0339 222 :VDFLTIVG 2bwnA 239 :IDIFNGTL T0339 233 :YGPRIG 2bwnA 250 :YGVFGG T0339 241 :YIRGLGEFTPLYPMLFG 2bwnA 258 :AASARMVDAVRSYAPGF T0339 264 :FRPGTENTPMIAGLGKAAELVT 2bwnA 275 :IFSTSLPPAIAAGAQASIAFLK T0339 286 :QNCEAYEAHMRDVRDYLEERLEAEFGQKRIH 2bwnA 298 :AEGQKLRDAQQMHAKVLKMRLKALGMPIIDH T0339 327 :LPNTCNFSIR 2bwnA 329 :GSHIVPVVIG T0339 339 :RLQGHVV 2bwnA 339 :DPVHTKA T0339 346 :LAQCRVLMASVGAACHSDHG 2bwnA 350 :LLSDYGVYVQPINFPTVPRG T0339 383 :RNALRLSVGRSTTRAEVDLVVQDLKQA 2bwnA 370 :TERLRFTPSPVHDLKQIDGLVHAMDLL Number of specific fragments extracted= 19 number of extra gaps= 1 total=137 Number of alignments=6 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1w7lA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1w7lA expands to /projects/compbio/data/pdb/1w7l.pdb.gz 1w7lA:Bad short name: N1 for alphabet: pdb_atoms Bad short name: C2 for alphabet: pdb_atoms Bad short name: C2' for alphabet: pdb_atoms Bad short name: C3 for alphabet: pdb_atoms Bad short name: O3 for alphabet: pdb_atoms Bad short name: C4 for alphabet: pdb_atoms Bad short name: C4' for alphabet: pdb_atoms Bad short name: C5 for alphabet: pdb_atoms Bad short name: C6 for alphabet: pdb_atoms Bad short name: C5' for alphabet: pdb_atoms Bad short name: OP4 for alphabet: pdb_atoms Bad short name: P for alphabet: pdb_atoms Bad short name: OP1 for alphabet: pdb_atoms Bad short name: OP2 for alphabet: pdb_atoms Bad short name: OP3 for alphabet: pdb_atoms # T0339 read from 1w7lA/merged-good-all-a2m # 1w7lA read from 1w7lA/merged-good-all-a2m # adding 1w7lA to template set # found chain 1w7lA in template set Warning: unaligning (T0339)K3 because of BadResidue code BAD_PEPTIDE in next template residue (1w7lA)V31 Warning: unaligning (T0339)V4 because of BadResidue code BAD_PEPTIDE at template residue (1w7lA)V31 Warning: unaligning (T0339)H117 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1w7lA)D126 Warning: unaligning (T0339)D118 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1w7lA)D126 Warning: unaligning (T0339)H230 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1w7lA)T248 Warning: unaligning (T0339)F232 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1w7lA)T248 Warning: unaligning (T0339)N329 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1w7lA)F339 Warning: unaligning (T0339)T330 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1w7lA)F339 T0339 2 :R 1w7lA 29 :D T0339 5 :YMDYNATT 1w7lA 32 :NLGQGFPD T0339 13 :PLEPEVIQAMTKA 1w7lA 41 :PPPDFAVEAFQHA T0339 30 :WGNPSSPYSA 1w7lA 54 :VSGDFMLNQY T0339 40 :G 1w7lA 68 :G T0339 43 :AKDIINAARESLAKMIGGKPQD 1w7lA 69 :YPPLTKILASFFGELLGQEIDP T0339 65 :IIFTSGGTESNNLVIHSVV 1w7lA 94 :VLVTVGGYGALFTAFQALV T0339 105 :GAKPHFITSSVE 1w7lA 113 :DEGDEVIIIEPF T0339 119 :SIRLPLEHL 1w7lA 127 :CYEPMTMMA T0339 132 :VAAVTFVPVS 1w7lA 136 :GGRPVFVSLK T0339 142 :KVSGQTEVDDILAAVRPTTRLVTIMLANNETGIVMP 1w7lA 157 :SSNWQLDPMELAGKFTSRTKALVLNTPNNPLGKVFS T0339 178 :VPEISQRIKALN 1w7lA 196 :LELVASLCQQHD T0339 200 :ILVHTDAAQAL 1w7lA 208 :VVCITDEVYQW T0339 211 :GKQRVDVEDLG 1w7lA 223 :GHQHISIASLP T0339 223 :DFLTIVG 1w7lA 239 :TLTIGSA T0339 233 :Y 1w7lA 249 :F T0339 234 :GPR 1w7lA 251 :ATG T0339 237 :IGALYIRG 1w7lA 256 :VGWVLGPD T0339 246 :GE 1w7lA 264 :HI T0339 262 :RNFR 1w7lA 275 :NSVF T0339 268 :TENTPMIAGLGKAAELVTQ 1w7lA 279 :HCPTQSQAAVAESFEREQL T0339 287 :NCEAYEAHMRDVRDYLEERLEAE 1w7lA 305 :YFVQFPQAMQRCRDHMIRSLQSV T0339 311 :G 1w7lA 328 :G T0339 315 :IHLNSQ 1w7lA 329 :LKPLIP T0339 326 :RLP 1w7lA 335 :QGS T0339 331 :CNFSI 1w7lA 340 :LITDI T0339 336 :RGPRLQGHVVLAQC 1w7lA 357 :AVDEPYDRRFVKWM T0339 350 :RV 1w7lA 372 :KN T0339 358 :AACHSDH 1w7lA 377 :VAIPVSI T0339 368 :PSPVLLSYGVP 1w7lA 384 :FYSVPHQKHFD T0339 384 :NALRLSVGR 1w7lA 395 :HYIRFCFVK T0339 395 :TRAEVD 1w7lA 404 :DEATLQ T0339 405 :DLKQAVAQLEDQ 1w7lA 410 :AMDEKLRKWKVE Number of specific fragments extracted= 33 number of extra gaps= 3 total=170 Number of alignments=7 # 1w7lA read from 1w7lA/merged-good-all-a2m # found chain 1w7lA in template set Warning: unaligning (T0339)K3 because of BadResidue code BAD_PEPTIDE in next template residue (1w7lA)V31 Warning: unaligning (T0339)V4 because of BadResidue code BAD_PEPTIDE at template residue (1w7lA)V31 Warning: unaligning (T0339)H117 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1w7lA)D126 Warning: unaligning (T0339)D118 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1w7lA)D126 Warning: unaligning (T0339)H230 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1w7lA)T248 Warning: unaligning (T0339)N329 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1w7lA)F339 Warning: unaligning (T0339)T330 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1w7lA)F339 T0339 2 :R 1w7lA 29 :D T0339 5 :YMDYNATT 1w7lA 32 :NLGQGFPD T0339 13 :PLEPEVIQAM 1w7lA 41 :PPPDFAVEAF T0339 27 :WEAWGNPSSPYSAGR 1w7lA 51 :QHAVSGDFMLNQYTK T0339 42 :KAKDIINAARESLAKMIGGKPQ 1w7lA 68 :GYPPLTKILASFFGELLGQEID T0339 64 :DIIFTSGGTESNNLVIHSV 1w7lA 93 :NVLVTVGGYGALFTAFQAL T0339 91 :TSKGH 1w7lA 112 :VDEGD T0339 109 :HFITSSVE 1w7lA 117 :EVIIIEPF T0339 119 :SIRLPLEHL 1w7lA 127 :CYEPMTMMA T0339 132 :VAAVTFVPVSK 1w7lA 136 :GGRPVFVSLKP T0339 143 :VSGQTEVDDILAAVRPTTRLVTIMLANNETGIVMPVPEISQ 1w7lA 158 :SNWQLDPMELAGKFTSRTKALVLNTPNNPLGKVFSREELEL T0339 185 :IKALNQER 1w7lA 199 :VASLCQQH T0339 199 :PILVHTDAAQALGKQR 1w7lA 207 :DVVCITDEVYQWMVYD T0339 215 :VDVEDL 1w7lA 227 :ISIASL T0339 221 :GV 1w7lA 234 :GM T0339 223 :DFLTIVG 1w7lA 239 :TLTIGSA T0339 232 :FY 1w7lA 249 :FS T0339 234 :GPRIGALYIR 1w7lA 253 :GWKVGWVLGP T0339 244 :GLGEFTPLYPMLF 1w7lA 264 :HIMKHLRTVHQNS T0339 266 :PGTENTPMIAGLGKAAELVTQ 1w7lA 277 :VFHCPTQSQAAVAESFEREQL T0339 288 :CEAYEAHMRDVRDYLEERLEAE 1w7lA 306 :FVQFPQAMQRCRDHMIRSLQSV T0339 314 :RIHLNSQFP 1w7lA 328 :GLKPLIPQG T0339 328 :P 1w7lA 337 :S T0339 331 :CNFSI 1w7lA 340 :LITDI T0339 336 :RGPR 1w7lA 355 :PGAV T0339 340 :LQ 1w7lA 360 :EP T0339 342 :GHVVLAQCRV 1w7lA 363 :DRRFVKWMIK T0339 352 :LMASVGAACH 1w7lA 376 :LVAIPVSIFY T0339 363 :DHG 1w7lA 391 :KHF T0339 383 :RNALRLSVGR 1w7lA 394 :DHYIRFCFVK T0339 395 :TRAEVD 1w7lA 404 :DEATLQ T0339 405 :DLKQAVAQLEDQ 1w7lA 410 :AMDEKLRKWKVE Number of specific fragments extracted= 32 number of extra gaps= 3 total=202 Number of alignments=8 # 1w7lA read from 1w7lA/merged-good-all-a2m # found chain 1w7lA in template set Warning: unaligning (T0339)K3 because of BadResidue code BAD_PEPTIDE in next template residue (1w7lA)V31 Warning: unaligning (T0339)V4 because of BadResidue code BAD_PEPTIDE at template residue (1w7lA)V31 Warning: unaligning (T0339)H117 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1w7lA)D126 Warning: unaligning (T0339)D118 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1w7lA)D126 Warning: unaligning (T0339)H230 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1w7lA)T248 Warning: unaligning (T0339)F232 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1w7lA)T248 Warning: unaligning (T0339)N329 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1w7lA)F339 Warning: unaligning (T0339)T330 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1w7lA)F339 T0339 2 :R 1w7lA 29 :D T0339 5 :YMDYNATT 1w7lA 32 :NLGQGFPD T0339 13 :PLEPEVIQAMTKAM 1w7lA 41 :PPPDFAVEAFQHAV T0339 34 :SSPYSAGRK 1w7lA 55 :SGDFMLNQY T0339 43 :AKDIINAARESLAKMIGGKPQD 1w7lA 69 :YPPLTKILASFFGELLGQEIDP T0339 65 :IIFTSGGTESNNLVIHSV 1w7lA 94 :VLVTVGGYGALFTAFQAL T0339 104 :KGAKPHFITSSVE 1w7lA 112 :VDEGDEVIIIEPF T0339 119 :SIRLPLEHL 1w7lA 127 :CYEPMTMMA T0339 132 :VAAVTFVPVS 1w7lA 136 :GGRPVFVSLK T0339 142 :KVSGQTEVDDILAAVRPTTRLVTIMLANNETGIVMP 1w7lA 157 :SSNWQLDPMELAGKFTSRTKALVLNTPNNPLGKVFS T0339 178 :VPEISQRIKA 1w7lA 196 :LELVASLCQQ T0339 198 :PPILVHTDAAQALGKQRVD 1w7lA 206 :HDVVCITDEVYQWMVYDGH T0339 217 :VEDLGV 1w7lA 230 :ASLPGM T0339 223 :DFLTIVG 1w7lA 239 :TLTIGSA T0339 233 :YGPR 1w7lA 249 :FSAT T0339 237 :IGALYIRGLGEFTPLYPMLFG 1w7lA 256 :VGWVLGPDHIMKHLRTVHQNS T0339 266 :PGTENTPMIAGLGKAAELVTQNCE 1w7lA 277 :VFHCPTQSQAAVAESFEREQLLFR T0339 290 :AYEAHMRDVRDYLEERLEAEFGQKRIH 1w7lA 308 :QFPQAMQRCRDHMIRSLQSVGLKPLIP T0339 326 :RLP 1w7lA 335 :QGS T0339 331 :CNFSI 1w7lA 340 :LITDI T0339 340 :LQGHVVLAQCRVLMASVGAACHSDHG 1w7lA 364 :RRFVKWMIKNKGLVAIPVSIFYSVPH T0339 379 :FDVARNALRLSVG 1w7lA 390 :QKHFDHYIRFCFV T0339 394 :TTRAEVDLVVQDLKQA 1w7lA 403 :KDEATLQAMDEKLRKW T0339 414 :E 1w7lA 419 :K Number of specific fragments extracted= 24 number of extra gaps= 3 total=226 Number of alignments=9 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1bjwA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1bjwA expands to /projects/compbio/data/pdb/1bjw.pdb.gz 1bjwA:Bad short name: N1 for alphabet: pdb_atoms Bad short name: C2 for alphabet: pdb_atoms Bad short name: C2' for alphabet: pdb_atoms Bad short name: C3 for alphabet: pdb_atoms Bad short name: O3 for alphabet: pdb_atoms Bad short name: C4 for alphabet: pdb_atoms Bad short name: C4' for alphabet: pdb_atoms Bad short name: C5 for alphabet: pdb_atoms Bad short name: C6 for alphabet: pdb_atoms Bad short name: C5' for alphabet: pdb_atoms Bad short name: OP4 for alphabet: pdb_atoms Bad short name: P for alphabet: pdb_atoms Bad short name: OP1 for alphabet: pdb_atoms Bad short name: OP2 for alphabet: pdb_atoms Bad short name: OP3 for alphabet: pdb_atoms # T0339 read from 1bjwA/merged-good-all-a2m # 1bjwA read from 1bjwA/merged-good-all-a2m # adding 1bjwA to template set # found chain 1bjwA in template set Warning: unaligning (T0339)H230 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1bjwA)A235 Warning: unaligning (T0339)F232 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1bjwA)A235 T0339 2 :RKVYMDYNATT 1bjwA 32 :DLVALTAGEPD T0339 13 :PLEPEVIQAMTKAMWEAWGN 1bjwA 44 :DTPEHVKEAARRALAQGKTK T0339 33 :PSSP 1bjwA 67 :PAGI T0339 44 :KDIINAARESLAKMIGG 1bjwA 71 :PELREALAEKFRRENGL T0339 61 :KPQDIIFTSGGTESNNLVIHSVV 1bjwA 90 :TPEETIVTVGGKQALFNLFQAIL T0339 105 :GAKPHFITSSVE 1bjwA 113 :DPGDEVIVLSPY T0339 121 :RLPLEHLVEEQVAAVTFVPVSKVSG 1bjwA 125 :WVSYPEMVRFAGGVVVEVETLPEEG T0339 146 :QTEVDDILAAVRPTTRLVTIMLANNETGIVMP 1bjwA 151 :VPDPERVRRAITPRTKALVVNSPNNPTGAVYP T0339 178 :VPEISQRIKALN 1bjwA 186 :LEALARLAVEHD T0339 200 :ILVHTDAAQALGKQRVD 1bjwA 198 :FYLVSDEIYEHLLYEGE T0339 217 :V 1bjwA 218 :P T0339 219 :DLGV 1bjwA 219 :GRVA T0339 223 :DFLTIVG 1bjwA 226 :TLTVNGA T0339 233 :YGP 1bjwA 236 :FAM T0339 236 :R 1bjwA 240 :G T0339 237 :IGALYIRG 1bjwA 243 :IGYACGPK T0339 246 :G 1bjwA 251 :E T0339 261 :ER 1bjwA 264 :TT T0339 268 :TENTPMIAGLGKAAE 1bjwA 266 :SPDTIAQWATLEALT T0339 283 :LVTQNCEAYEAHMRDVRDYLEERLEAE 1bjwA 284 :ASRAFVEMAREAYRRRRDLLLEGLTAL T0339 311 :G 1bjwA 311 :G T0339 315 :IHLNSQ 1bjwA 312 :LKAVRP T0339 326 :RLPNTCNFSIRGPRLQGHVVLAQCRV 1bjwA 318 :SGAFYVLMDTSPIAPDEVRAAERLLE T0339 352 :LMASVGA 1bjwA 346 :VAVVPGT T0339 379 :FDVARNALRLSVGR 1bjwA 353 :DFAAFGHVRLSYAT T0339 395 :TRAEVDLVVQDL 1bjwA 367 :SEENLRKALERF Number of specific fragments extracted= 26 number of extra gaps= 0 total=252 Number of alignments=10 # 1bjwA read from 1bjwA/merged-good-all-a2m # found chain 1bjwA in template set Warning: unaligning (T0339)H230 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1bjwA)A235 T0339 2 :RKVYMDYNATTP 1bjwA 32 :DLVALTAGEPDF T0339 14 :LEPEVIQAMTKAMWE 1bjwA 45 :TPEHVKEAARRALAQ T0339 33 :PSSPYSAGRKAKDIINAARESLAKMIG 1bjwA 60 :GKTKYAPPAGIPELREALAEKFRRENG T0339 60 :GKPQDIIFTSGGTESNNLVIHSV 1bjwA 89 :VTPEETIVTVGGKQALFNLFQAI T0339 91 :TSKGH 1bjwA 112 :LDPGD T0339 109 :HFITSSVEHDSIRLPLEHL 1bjwA 117 :EVIVLSPYWVSYPEMVRFA T0339 132 :VAAVTFVPVSKV 1bjwA 136 :GGVVVEVETLPE T0339 144 :SGQTEVDDILAAVRPTTRLVTIMLANNETGIVMPVPEISQ 1bjwA 149 :GFVPDPERVRRAITPRTKALVVNSPNNPTGAVYPKEVLEA T0339 185 :IKALNQER 1bjwA 189 :LARLAVEH T0339 199 :PILVHTDAAQALGKQR 1bjwA 197 :DFYLVSDEIYEHLLYE T0339 215 :VDVEDL 1bjwA 216 :FSPGRV T0339 223 :DFLTIVG 1bjwA 226 :TLTVNGA T0339 232 :FY 1bjwA 236 :FA T0339 234 :GPRIGALYIR 1bjwA 240 :GWRIGYACGP T0339 244 :GLGEFT 1bjwA 251 :EVIKAM T0339 251 :LYPMLFG 1bjwA 257 :ASVSSQS T0339 266 :PGTENTPMIAGLGKAAE 1bjwA 264 :TTSPDTIAQWATLEALT T0339 283 :LVTQNCEAYEAHMRDVRDYLEERLEAE 1bjwA 284 :ASRAFVEMAREAYRRRRDLLLEGLTAL T0339 314 :RIHLNSQFP 1bjwA 311 :GLKAVRPSG T0339 328 :PNTCNFSIRGPRLQGHVVLAQCRV 1bjwA 320 :AFYVLMDTSPIAPDEVRAAERLLE T0339 352 :LMASVGAACHS 1bjwA 346 :VAVVPGTDFAA T0339 383 :RNALRLS 1bjwA 357 :FGHVRLS T0339 392 :RSTTRAEVDLVVQDL 1bjwA 364 :YATSEENLRKALERF Number of specific fragments extracted= 23 number of extra gaps= 0 total=275 Number of alignments=11 # 1bjwA read from 1bjwA/merged-good-all-a2m # found chain 1bjwA in template set Warning: unaligning (T0339)H230 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1bjwA)A235 Warning: unaligning (T0339)F232 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1bjwA)A235 T0339 2 :RKVYMDYNATT 1bjwA 32 :DLVALTAGEPD T0339 13 :PLEPEVIQAMTKAMWEAW 1bjwA 44 :DTPEHVKEAARRALAQGK T0339 31 :GNPSSP 1bjwA 65 :APPAGI T0339 44 :KDIINAARESLAKMIGG 1bjwA 71 :PELREALAEKFRRENGL T0339 61 :KPQDIIFTSGGTESNNLVIHSV 1bjwA 90 :TPEETIVTVGGKQALFNLFQAI T0339 104 :KGAKPHFITSSVEHDSIRLPLEHL 1bjwA 112 :LDPGDEVIVLSPYWVSYPEMVRFA T0339 132 :VAAVTFVPVS 1bjwA 136 :GGVVVEVETL T0339 142 :KVSGQTEVDDILAAVRPTTRLVTIMLANNETGIVMP 1bjwA 147 :EEGFVPDPERVRRAITPRTKALVVNSPNNPTGAVYP T0339 178 :VPEISQRIKA 1bjwA 186 :LEALARLAVE T0339 198 :PPILVHTDAAQALGKQRVD 1bjwA 196 :HDFYLVSDEIYEHLLYEGE T0339 217 :VEDLGVDFLTIVG 1bjwA 220 :RVAPEHTLTVNGA T0339 233 :YGPR 1bjwA 236 :FAMT T0339 237 :IGALYIRGLGEFTPLYPM 1bjwA 243 :IGYACGPKEVIKAMASVS T0339 264 :FRPGTENTPMIAGLGKAAELVT 1bjwA 262 :QSTTSPDTIAQWATLEALTNQE T0339 286 :QNCEAYEAHMRDVRDYLEERLEAEFGQKRIH 1bjwA 287 :AFVEMAREAYRRRRDLLLEGLTALGLKAVRP T0339 326 :RLPNTCNFSIRG 1bjwA 318 :SGAFYVLMDTSP T0339 338 :PRLQGHVVLAQCRVLMASVG 1bjwA 332 :PDEVRAAERLLEAGVAVVPG T0339 378 :PFDVARNALRLSVG 1bjwA 352 :TDFAAFGHVRLSYA T0339 394 :TTRAEVDLVVQDL 1bjwA 366 :TSEENLRKALERF Number of specific fragments extracted= 19 number of extra gaps= 0 total=294 Number of alignments=12 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1qz9A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1qz9A expands to /projects/compbio/data/pdb/1qz9.pdb.gz 1qz9A:Skipped atom 19, because occupancy 0.250 <= existing 0.750 in 1qz9A Skipped atom 21, because occupancy 0.250 <= existing 0.750 in 1qz9A Skipped atom 23, because occupancy 0.250 <= existing 0.750 in 1qz9A Skipped atom 770, because occupancy 0.500 <= existing 0.500 in 1qz9A Skipped atom 772, because occupancy 0.500 <= existing 0.500 in 1qz9A Skipped atom 774, because occupancy 0.500 <= existing 0.500 in 1qz9A Skipped atom 776, because occupancy 0.500 <= existing 0.500 in 1qz9A Skipped atom 1084, because occupancy 0.200 <= existing 0.800 in 1qz9A Skipped atom 1086, because occupancy 0.200 <= existing 0.800 in 1qz9A Skipped atom 1088, because occupancy 0.200 <= existing 0.800 in 1qz9A Skipped atom 1090, because occupancy 0.200 <= existing 0.800 in 1qz9A Skipped atom 1092, because occupancy 0.200 <= existing 0.800 in 1qz9A Skipped atom 3613, because occupancy 0.200 <= existing 0.800 in 1qz9A Skipped atom 3882, because occupancy 0.250 <= existing 0.750 in 1qz9A Skipped atom 5300, because occupancy 0.500 <= existing 0.500 in 1qz9A Skipped atom 5302, because occupancy 0.500 <= existing 0.500 in 1qz9A Skipped atom 5304, because occupancy 0.500 <= existing 0.500 in 1qz9A Skipped atom 5306, because occupancy 0.500 <= existing 0.500 in 1qz9A Skipped atom 5391, because occupancy 0.300 <= existing 0.700 in 1qz9A Skipped atom 5393, because occupancy 0.300 <= existing 0.700 in 1qz9A Skipped atom 5395, because occupancy 0.300 <= existing 0.700 in 1qz9A Skipped atom 5397, because occupancy 0.300 <= existing 0.700 in 1qz9A Skipped atom 5399, because occupancy 0.300 <= existing 0.700 in 1qz9A Skipped atom 5475, because occupancy 0.500 <= existing 0.500 in 1qz9A Skipped atom 5477, because occupancy 0.500 <= existing 0.500 in 1qz9A Skipped atom 5479, because occupancy 0.500 <= existing 0.500 in 1qz9A Skipped atom 5481, because occupancy 0.500 <= existing 0.500 in 1qz9A Skipped atom 5483, because occupancy 0.500 <= existing 0.500 in 1qz9A # T0339 read from 1qz9A/merged-good-all-a2m # 1qz9A read from 1qz9A/merged-good-all-a2m # adding 1qz9A to template set # found chain 1qz9A in template set Warning: unaligning (T0339)V132 because of BadResidue code BAD_PEPTIDE at template residue (1qz9A)G146 T0339 2 :RKVYMDYNATTPLEPEVIQAMTKAMWEAWGN 1qz9A 28 :GVIYLDGNSLGARPVAALARAQAVIAEEWGN T0339 33 :PSSPYSAG 1qz9A 61 :IRSWNSAG T0339 43 :AKDIINAARESLAKMIGGKPQDIIFTSGGTESNNLVIHSVVKHFHANQ 1qz9A 69 :WRDLSERLGNRLATLIGARDGEVVVTDTTSINLFKVLSAALRVQATRS T0339 105 :GAKPHFITSSVEHDSIRLPLEHLVEEQ 1qz9A 117 :PERRVIVTETSNFPTDLYIAEGLADML T0339 133 :AAVTFVP 1qz9A 147 :YTLRLVD T0339 148 :EVDDILAAVRPTTRLVTIMLANNETGIVMPVPEISQRIKALN 1qz9A 154 :SPEELPQAIDQDTAVVMLTHVNYKTGYMHDMQALTALSHECG T0339 200 :ILVHTDAAQALGKQRVDVEDLGVDFLTIVGHKFY 1qz9A 196 :ALAIWDLAHSAGAVPVDLHQAGADYAIGCTYKYL T0339 234 :GPRI 1qz9A 232 :GPGS T0339 238 :GALYIRG 1qz9A 237 :AFVWVSP T0339 246 :GEFTPLY 1qz9A 244 :QLCDLVP T0339 253 :PMLFGGGQ 1qz9A 252 :PLSGWFGH T0339 261 :ERNFRPGTENTPMIAGLGKAAELVTQ 1qz9A 275 :IARYLCGTQPITSLAMVECGLDVFAQ T0339 287 :NCEAYEAHMRDVRDYLEERLEAEFGQKRIHLNSQFPGTQR 1qz9A 302 :DMASLRRKSLALTDLFIELVEQRCAAHELTLVTPREHAKR T0339 328 :PNTCNFSIRG 1qz9A 342 :GSHVSFEHPE T0339 342 :GHVVLAQCRV 1qz9A 352 :GYAVIQALID T0339 379 :FDVA 1qz9A 362 :RGVI T0339 383 :RNALRLSV 1qz9A 371 :PRIMRFGF T0339 391 :GRSTTRAEVDLVVQDLKQAVAQ 1qz9A 380 :PLYTTFTEVWDAVQILGEILDR Number of specific fragments extracted= 18 number of extra gaps= 1 total=312 Number of alignments=13 # 1qz9A read from 1qz9A/merged-good-all-a2m # found chain 1qz9A in template set Warning: unaligning (T0339)V132 because of BadResidue code BAD_PEPTIDE at template residue (1qz9A)G146 T0339 1 :ERKVYMDYNATTPLEPEVIQAMTKAMWEAWGNPSSPYSAGRKAKDIINAARESLAKMIGGKPQDIIFTSGGTESNNLVIHSVVKHFHAN 1qz9A 27 :EGVIYLDGNSLGARPVAALARAQAVIAEEWGNGLIRSWNSAGWRDLSERLGNRLATLIGARDGEVVVTDTTSINLFKVLSAALRVQATR T0339 91 :TSKGH 1qz9A 116 :SPERR T0339 109 :HFITSSVEHDSIRLPLEHLVEEQ 1qz9A 121 :VIVTETSNFPTDLYIAEGLADML T0339 133 :AAVTFVP 1qz9A 147 :YTLRLVD T0339 148 :EVDDILAAVRPTTRLVTIMLANNETGIVMPVPEISQ 1qz9A 154 :SPEELPQAIDQDTAVVMLTHVNYKTGYMHDMQALTA T0339 188 :LNQER 1qz9A 190 :LSHEC T0339 199 :PILVHTDAAQALGKQRVDVEDLGVDFLTIVGHK 1qz9A 195 :GALAIWDLAHSAGAVPVDLHQAGADYAIGCTYK T0339 232 :FY 1qz9A 229 :LN T0339 234 :GPR 1qz9A 232 :GPG T0339 237 :IGALYIR 1qz9A 236 :QAFVWVS T0339 244 :GLGEFT 1qz9A 244 :QLCDLV T0339 250 :PLYPMLFGGG 1qz9A 251 :QPLSGWFGHS T0339 260 :QERNFRPGTENTPMIAGLGKAAELVTQ 1qz9A 274 :GIARYLCGTQPITSLAMVECGLDVFAQ T0339 287 :NCEAYEAHMRDVRDYLEERLEAEFGQKRIHLNSQFPGTQR 1qz9A 302 :DMASLRRKSLALTDLFIELVEQRCAAHELTLVTPREHAKR T0339 328 :PNTCNFSIRG 1qz9A 342 :GSHVSFEHPE T0339 342 :GHVVLAQCRV 1qz9A 352 :GYAVIQALID T0339 352 :LMASVGA 1qz9A 364 :VIGDYRE T0339 383 :RNALRLSV 1qz9A 371 :PRIMRFGF T0339 391 :GRSTTRAEVDLVVQDLKQAVAQ 1qz9A 380 :PLYTTFTEVWDAVQILGEILDR Number of specific fragments extracted= 19 number of extra gaps= 1 total=331 Number of alignments=14 # 1qz9A read from 1qz9A/merged-good-all-a2m # found chain 1qz9A in template set Warning: unaligning (T0339)V132 because of BadResidue code BAD_PEPTIDE in next template residue (1qz9A)Q145 Warning: unaligning (T0339)A133 because of BadResidue code BAD_PEPTIDE at template residue (1qz9A)Q145 Warning: unaligning (T0339)A134 because of BadResidue code BAD_PEPTIDE at template residue (1qz9A)G146 T0339 3 :KVYMDYNATTPLEPEVIQAMTKAMWEAWGNPSSPYSAGRKAKDIINAARESLAKMIGGKPQDIIFTSGGTESNNLVIHSVVKHFHAN 1qz9A 29 :VIYLDGNSLGARPVAALARAQAVIAEEWGNGLIRSWNSAGWRDLSERLGNRLATLIGARDGEVVVTDTTSINLFKVLSAALRVQATR T0339 104 :KGAKPHFITSSVEHDSIRLPLEHLVEEQ 1qz9A 116 :SPERRVIVTETSNFPTDLYIAEGLADML T0339 135 :VTFVPVS 1qz9A 147 :YTLRLVD T0339 148 :EVDDILAAVRPTTRLVTIMLANNETGIVMPVPEISQRIKA 1qz9A 154 :SPEELPQAIDQDTAVVMLTHVNYKTGYMHDMQALTALSHE T0339 198 :PPILVHTDAAQALGKQRVDVEDLGVDFLTIVGHKFYGPR 1qz9A 194 :CGALAIWDLAHSAGAVPVDLHQAGADYAIGCTYKYLNGG T0339 237 :IGALYIRGLGEFTPLYPMLFGGGQ 1qz9A 236 :QAFVWVSPQLCDLVPQPLSGWFGH T0339 261 :ERNFRPGTENTPMIAGLGKAAELVT 1qz9A 275 :IARYLCGTQPITSLAMVECGLDVFA T0339 286 :QNCEAYEAHMRDVRDYLEERLEAEFG 1qz9A 301 :TDMASLRRKSLALTDLFIELVEQRCA T0339 312 :QKRIH 1qz9A 330 :LTLVT T0339 321 :FPGTQRLPNTCNFSIRG 1qz9A 335 :PREHAKRGSHVSFEHPE T0339 340 :LQGHVVLAQCRVLMASV 1qz9A 352 :GYAVIQALIDRGVIGDY T0339 381 :VARNALRLSVG 1qz9A 369 :REPRIMRFGFT T0339 392 :RSTTRAEVDLVVQDLKQAVAQ 1qz9A 381 :LYTTFTEVWDAVQILGEILDR Number of specific fragments extracted= 13 number of extra gaps= 1 total=344 Number of alignments=15 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1vjoA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0339 read from 1vjoA/merged-good-all-a2m # 1vjoA read from 1vjoA/merged-good-all-a2m # found chain 1vjoA in training set Warning: unaligning (T0339)A385 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1vjoA)W355 Warning: unaligning (T0339)L386 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1vjoA)W355 T0339 1 :ERKVY 1vjoA 21 :PSRLL T0339 7 :DYNATTPLEPEVIQAM 1vjoA 26 :LGPGPSNAHPSVLQAM T0339 32 :NPSSPYSAGRKAKDIINAARESLAKMIGGKPQDIIFTSG 1vjoA 42 :NVSPVGHLDPAFLALMDEIQSLLRYVWQTENPLTIAVSG T0339 71 :GTESNNLVIHSVV 1vjoA 82 :GTAAMEATIANAV T0339 105 :GAKPHFITSSVEH 1vjoA 95 :EPGDVVLIGVAGY T0339 120 :IRLPLEHLVEEQVAAVTFVPVS 1vjoA 108 :FGNRLVDMAGRYGADVRTISKP T0339 143 :VSGQTEVDDILAAV 1vjoA 130 :WGEVFSLEELRTAL T0339 159 :TTRLVTIMLANNETGIVMPVPEISQRIKALN 1vjoA 147 :RPAILALVHAETSTGARQPLEGVGELCREFG T0339 200 :ILVHTDAAQALGKQRVDVEDLGVDFLTIVGHKFYG 1vjoA 178 :TLLLVDTVTSLGGVPIFLDAWGVDLAYSCSQKGLG T0339 235 :PRIGALYIR 1vjoA 215 :PGASPFTMS T0339 246 :GEFTPLYPM 1vjoA 232 :RRRTKVANW T0339 257 :GGGQ 1vjoA 241 :YLDM T0339 261 :ERNFRPGTENTPMIAGLGKAAELVTQ 1vjoA 253 :SERVYHHTAPINLYYALREALRLIAQ T0339 287 :NCEAYEAHMRDVRDYLEERLEAE 1vjoA 280 :GLANCWQRHQKNVEYLWERLEDI T0339 311 :G 1vjoA 303 :G T0339 315 :IHLNSQ 1vjoA 304 :LSLHVE T0339 323 :GTQRLPNTCNFSIRGP 1vjoA 310 :KEYRLPTLTTVCIPDG T0339 340 :LQGHVVLAQCRV 1vjoA 326 :VDGKAVARRLLN T0339 352 :LMASVG 1vjoA 339 :HNIEVG T0339 377 :VPFDVARN 1vjoA 346 :GLGELAGK T0339 387 :RLSV 1vjoA 356 :RVGL T0339 391 :GRSTTRAEVDLVVQDLKQAV 1vjoA 361 :GFNSRKESVDQLIPALEQVL Number of specific fragments extracted= 22 number of extra gaps= 1 total=366 Number of alignments=16 # 1vjoA read from 1vjoA/merged-good-all-a2m # found chain 1vjoA in training set Warning: unaligning (T0339)A385 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1vjoA)W355 Warning: unaligning (T0339)L386 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1vjoA)W355 T0339 2 :RKVYMDYNATTPLEPEVIQAM 1vjoA 21 :PSRLLLGPGPSNAHPSVLQAM T0339 32 :NPSSPYSAGRKAKDIINAARESLAKMIGGKPQDIIFTSG 1vjoA 42 :NVSPVGHLDPAFLALMDEIQSLLRYVWQTENPLTIAVSG T0339 71 :GTESNNLVIHSV 1vjoA 82 :GTAAMEATIANA T0339 91 :TSKGH 1vjoA 94 :VEPGD T0339 109 :HFITSSVEHDS 1vjoA 99 :VVLIGVAGYFG T0339 121 :RLPLEHL 1vjoA 110 :NRLVDMA T0339 129 :EEQVAAVTFVPVSK 1vjoA 117 :GRYGADVRTISKPW T0339 144 :SGQTEVDDILAAVR 1vjoA 131 :GEVFSLEELRTALE T0339 158 :PTTRLVTIMLANNETGIVMPVPEISQ 1vjoA 146 :HRPAILALVHAETSTGARQPLEGVGE T0339 188 :LNQER 1vjoA 172 :LCREF T0339 199 :PILVHTDAAQALGKQRVDVEDLGVDFLTIVGHK 1vjoA 177 :GTLLLVDTVTSLGGVPIFLDAWGVDLAYSCSQK T0339 232 :FY 1vjoA 211 :LG T0339 234 :GPRIGALYIR 1vjoA 214 :SPGASPFTMS T0339 244 :GLGEFT 1vjoA 225 :RAIEKL T0339 250 :PLYPMLFGGG 1vjoA 232 :RRRTKVANWY T0339 260 :QERNFRPGTENTPMIAGLGKAAELVTQ 1vjoA 252 :GSERVYHHTAPINLYYALREALRLIAQ T0339 287 :NCEAYEAHMRDVRDYLEERLEAE 1vjoA 280 :GLANCWQRHQKNVEYLWERLEDI T0339 314 :RIHLNS 1vjoA 303 :GLSLHV T0339 322 :PGTQRLPNTCNFSIRGP 1vjoA 309 :EKEYRLPTLTTVCIPDG T0339 340 :LQGHVVLAQCRV 1vjoA 326 :VDGKAVARRLLN T0339 352 :LMASVGAACHSDH 1vjoA 339 :HNIEVGGGLGELA T0339 383 :RN 1vjoA 352 :GK T0339 387 :RLSV 1vjoA 356 :RVGL T0339 391 :GRSTTRAEVDLVVQDLKQAV 1vjoA 361 :GFNSRKESVDQLIPALEQVL Number of specific fragments extracted= 24 number of extra gaps= 1 total=390 Number of alignments=17 # 1vjoA read from 1vjoA/merged-good-all-a2m # found chain 1vjoA in training set Warning: unaligning (T0339)A385 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1vjoA)W355 Warning: unaligning (T0339)L386 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1vjoA)W355 T0339 5 :YMDYNATTPLEPEVIQAM 1vjoA 24 :LLLGPGPSNAHPSVLQAM T0339 32 :NPSSPYSAGRKAKDIINAARESLAKMIGGKPQDIIFTSG 1vjoA 42 :NVSPVGHLDPAFLALMDEIQSLLRYVWQTENPLTIAVSG T0339 71 :GTESNNLVIHSV 1vjoA 82 :GTAAMEATIANA T0339 104 :KGAKPHFITSSVEH 1vjoA 94 :VEPGDVVLIGVAGY T0339 120 :IRLPLEHLVEEQVAAVTFVPVS 1vjoA 108 :FGNRLVDMAGRYGADVRTISKP T0339 143 :VSGQTEVDDILAAV 1vjoA 130 :WGEVFSLEELRTAL T0339 159 :TTRLVTIMLANNETGIVMPVPEISQRIKA 1vjoA 147 :RPAILALVHAETSTGARQPLEGVGELCRE T0339 198 :PPILVHTDAAQALGKQRVDVEDLGVDFLTIVGHKFYGPR 1vjoA 176 :FGTLLLVDTVTSLGGVPIFLDAWGVDLAYSCSQKGLGCS T0339 237 :IGALYIRGLGEFTPLYPMLFGGGQ 1vjoA 217 :ASPFTMSSRAIEKLQRRRTKVANW T0339 261 :ERNFRPGTENTPMIAGLGKAAELVT 1vjoA 253 :SERVYHHTAPINLYYALREALRLIA T0339 286 :QNCEAYEAHMRDVRDYLEERLEAEFGQKRIH 1vjoA 279 :EGLANCWQRHQKNVEYLWERLEDIGLSLHVE T0339 323 :GTQRLPNTCNFSIRG 1vjoA 310 :KEYRLPTLTTVCIPD T0339 338 :PRLQGHVVLAQ 1vjoA 326 :VDGKAVARRLL T0339 349 :CRVLMASVG 1vjoA 338 :EHNIEVGGG T0339 378 :PFDVARN 1vjoA 347 :LGELAGK T0339 387 :RLSVG 1vjoA 356 :RVGLM T0339 392 :RSTTRAEVDLVVQDLKQAV 1vjoA 362 :FNSRKESVDQLIPALEQVL Number of specific fragments extracted= 17 number of extra gaps= 1 total=407 Number of alignments=18 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1mdoA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0339 read from 1mdoA/merged-good-all-a2m # 1mdoA read from 1mdoA/merged-good-all-a2m # found chain 1mdoA in training set Warning: unaligning (T0339)P250 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1mdoA)Q232 Warning: unaligning (T0339)A359 because of BadResidue code BAD_PEPTIDE in next template residue (1mdoA)F330 Warning: unaligning (T0339)C360 because of BadResidue code BAD_PEPTIDE at template residue (1mdoA)F330 T0339 10 :ATTPLEPEVIQA 1mdoA 14 :SRPAMGAEELAA T0339 23 :TKAMWEAWGNPSS 1mdoA 26 :VKTVLDSGWITTG T0339 45 :DIINAARESLAKMIGGKP 1mdoA 39 :PKNQELEAAFCRLTGNQY T0339 65 :IIFTSGGTESNNLVIHSV 1mdoA 57 :AVAVSSATAGMHIALMAL T0339 105 :GAKPHFITSSV 1mdoA 77 :GEGDEVITPSM T0339 120 :IRLPLEHLVEEQVAAVTFVPVSKVSGQTEVDDILAAVRPTTRLV 1mdoA 88 :TWVSTLNMIVLLGANPVMVDVDRDTLMVTPEHIEAAITPQTKAI T0339 167 :LANNETGIVMPVPEISQRIKALN 1mdoA 132 :IPVHYAGAPADLDAIYALGERYG T0339 200 :ILVHTDAAQALGK 1mdoA 155 :IPVIEDAAHATGT T0339 215 :VDV 1mdoA 172 :RHI T0339 223 :DFLTIVGHKFY 1mdoA 178 :GTAIFSFHAIK T0339 234 :GPRIGALYIRG 1mdoA 192 :CAEGGIVVTDN T0339 245 :LGEFT 1mdoA 215 :HGLGV T0339 261 :ERNFRPGTENTPMIAGLG 1mdoA 237 :APGYKYNLPDLNAAIALA T0339 284 :VTQNCEAYEAHMRDVRDYLEERLEAEF 1mdoA 255 :QLQKLDALNARRAAIAAQYHQAMADLP T0339 315 :IHLNSQFPGT 1mdoA 282 :FQPLSLPSWE T0339 325 :QRLPNTCNFSIR 1mdoA 293 :IHAWHLFIIRVD T0339 337 :G 1mdoA 309 :G T0339 340 :LQGHVVLAQCRVLMASVGA 1mdoA 310 :ITRDALMASLKTKGIGTGL T0339 361 :HSDH 1mdoA 331 :RAAH T0339 366 :DQPSPVLLSYGVPFD 1mdoA 335 :TQKYYRERFPTLTLP T0339 381 :VARNALRLSVGRSTTRAEVDLVVQDLKQAV 1mdoA 354 :NSERICSLPLFPDMTESDFDRVITALHQIA Number of specific fragments extracted= 21 number of extra gaps= 1 total=428 Number of alignments=19 # 1mdoA read from 1mdoA/merged-good-all-a2m # found chain 1mdoA in training set Warning: unaligning (T0339)A359 because of BadResidue code BAD_PEPTIDE in next template residue (1mdoA)F330 Warning: unaligning (T0339)C360 because of BadResidue code BAD_PEPTIDE at template residue (1mdoA)F330 T0339 10 :ATTPLEPEVIQAMTKAMWE 1mdoA 14 :SRPAMGAEELAAVKTVLDS T0339 36 :PYSAG 1mdoA 33 :GWITT T0339 44 :KDIINAARESLAKMIGG 1mdoA 38 :GPKNQELEAAFCRLTGN T0339 63 :QDIIFTSGGTESNNLVIHSV 1mdoA 55 :QYAVAVSSATAGMHIALMAL T0339 90 :QTSKGH 1mdoA 75 :GIGEGD T0339 109 :HFITSSVEHDSIRLPLEHL 1mdoA 81 :EVITPSMTWVSTLNMIVLL T0339 132 :VAAVTFVPVSKVSGQTEVDDILAAVRPTTRLVT 1mdoA 100 :GANPVMVDVDRDTLMVTPEHIEAAITPQTKAII T0339 168 :ANNETGIVMPVPEISQ 1mdoA 133 :PVHYAGAPADLDAIYA T0339 188 :LNQER 1mdoA 149 :LGERY T0339 199 :PILVHTDAAQALGKQR 1mdoA 154 :GIPVIEDAAHATGTSY T0339 215 :VDV 1mdoA 172 :RHI T0339 221 :GV 1mdoA 175 :GA T0339 223 :DFLTIVGH 1mdoA 178 :GTAIFSFH T0339 231 :K 1mdoA 188 :K T0339 232 :FYGPRIGALYIR 1mdoA 190 :ITCAEGGIVVTD T0339 244 :G 1mdoA 203 :P T0339 245 :LGEFT 1mdoA 205 :FADKL T0339 251 :LYPMLFGGG 1mdoA 210 :RSLKFHGLG T0339 260 :QERNFRPGTENTPMIAGLGKAAE 1mdoA 235 :VLAPGYKYNLPDLNAAIALAQLQ T0339 287 :NCEAYEAHMRDVRDYLEERLEAE 1mdoA 258 :KLDALNARRAAIAAQYHQAMADL T0339 314 :RIHLNSQFPGT 1mdoA 281 :PFQPLSLPSWE T0339 325 :QRLPNTCNFSIR 1mdoA 293 :IHAWHLFIIRVD T0339 337 :G 1mdoA 309 :G T0339 340 :LQGHVVLAQCRVLMASVGA 1mdoA 310 :ITRDALMASLKTKGIGTGL T0339 361 :H 1mdoA 331 :R T0339 362 :SD 1mdoA 343 :FP T0339 365 :GDQPSPVLL 1mdoA 345 :TLTLPDTEW T0339 383 :RNALRLSVGRSTTRAEVDLVVQDLKQAV 1mdoA 356 :ERICSLPLFPDMTESDFDRVITALHQIA Number of specific fragments extracted= 28 number of extra gaps= 1 total=456 Number of alignments=20 # 1mdoA read from 1mdoA/merged-good-all-a2m # found chain 1mdoA in training set Warning: unaligning (T0339)A359 because of BadResidue code BAD_PEPTIDE in next template residue (1mdoA)F330 Warning: unaligning (T0339)C360 because of BadResidue code BAD_PEPTIDE at template residue (1mdoA)F330 T0339 10 :ATTPLEPEVIQAMTKAMWEAWGNPS 1mdoA 14 :SRPAMGAEELAAVKTVLDSGWITTG T0339 45 :DIINAARESLAKMIGG 1mdoA 39 :PKNQELEAAFCRLTGN T0339 63 :QDIIFTSGGTESNNLVIHSV 1mdoA 55 :QYAVAVSSATAGMHIALMAL T0339 103 :VKGAKPHFITSSVEHDSIRLPLEHL 1mdoA 75 :GIGEGDEVITPSMTWVSTLNMIVLL T0339 132 :VAAVTFVPVSKVSGQTEVDDILAAVRPTTRLV 1mdoA 100 :GANPVMVDVDRDTLMVTPEHIEAAITPQTKAI T0339 167 :LANNETGIVMPVPEISQRIKA 1mdoA 132 :IPVHYAGAPADLDAIYALGER T0339 198 :PPILVHTDAAQALGK 1mdoA 153 :YGIPVIEDAAHATGT T0339 223 :DFLTIVGHKFYGPR 1mdoA 178 :GTAIFSFHAIKNIT T0339 237 :IGALYIRGLGEFTPLYPMLFGGGQ 1mdoA 195 :GGIVVTDNPQFADKLRSLKFHGLG T0339 261 :ERNFRPGTENTPMIAGLGKA 1mdoA 237 :APGYKYNLPDLNAAIALAQL T0339 286 :QNCEAYEAHMRDVRDYLEERLEAEFGQKRIH 1mdoA 257 :QKLDALNARRAAIAAQYHQAMADLPFQPLSL T0339 320 :QFPGTQRLPNTCNFSIR 1mdoA 288 :PSWEHIHAWHLFIIRVD T0339 337 :GPRLQGHVVLAQCRVLM 1mdoA 309 :GITRDALMASLKTKGIG T0339 356 :VGA 1mdoA 326 :TGL T0339 361 :HSDHG 1mdoA 331 :RAAHT T0339 367 :QPSPVLLSYGVPFDVAR 1mdoA 336 :QKYYRERFPTLTLPDTE T0339 384 :NALRLSVGRSTTRAEVDLVVQDLKQA 1mdoA 357 :RICSLPLFPDMTESDFDRVITALHQI Number of specific fragments extracted= 17 number of extra gaps= 1 total=473 Number of alignments=21 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1bw0A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1bw0A expands to /projects/compbio/data/pdb/1bw0.pdb.gz 1bw0A:Bad short name: N1 for alphabet: pdb_atoms Bad short name: C2 for alphabet: pdb_atoms Bad short name: C2' for alphabet: pdb_atoms Bad short name: C3 for alphabet: pdb_atoms Bad short name: O3 for alphabet: pdb_atoms Bad short name: C4 for alphabet: pdb_atoms Bad short name: C4' for alphabet: pdb_atoms Bad short name: C5 for alphabet: pdb_atoms Bad short name: C6 for alphabet: pdb_atoms Bad short name: C5' for alphabet: pdb_atoms Bad short name: OP4 for alphabet: pdb_atoms Bad short name: P for alphabet: pdb_atoms Bad short name: OP1 for alphabet: pdb_atoms Bad short name: OP2 for alphabet: pdb_atoms Bad short name: OP3 for alphabet: pdb_atoms # T0339 read from 1bw0A/merged-good-all-a2m # 1bw0A read from 1bw0A/merged-good-all-a2m # adding 1bw0A to template set # found chain 1bw0A in template set Warning: unaligning (T0339)N169 because of BadResidue code BAD_PEPTIDE in next template residue (1bw0A)N188 Warning: unaligning (T0339)N170 because of BadResidue code BAD_PEPTIDE at template residue (1bw0A)N188 Warning: unaligning (T0339)H230 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1bw0A)N254 Warning: unaligning (T0339)F232 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1bw0A)N254 T0339 12 :TPLEPEVIQAMTKAMWEAWGNPSSPYSA 1bw0A 74 :TVGSPEAREAVATWWRNSFVHKEELKST T0339 60 :GKPQDIIFTSGGTESNNLVIHSVV 1bw0A 102 :IVKDNVVLCSGGSHGILMAITAIC T0339 105 :GAKPHFITSSVEHD 1bw0A 126 :DAGDYALVPQPGFP T0339 123 :PLEHLVEEQVAAVTFVP 1bw0A 140 :HYETVCKAYGIGMHFYN T0339 140 :VSK 1bw0A 159 :PEN T0339 144 :SGQTEVDDILAAVRPTTRLVTIMLA 1bw0A 162 :DWEADLDEIRRLKDDKTKLLIVTNP T0339 171 :ETGIVMP 1bw0A 189 :PCGSNFS T0339 178 :VPEISQRIKALN 1bw0A 199 :VEDIVRLAEELR T0339 200 :ILVHTDAAQALGKQR 1bw0A 211 :LPLFSDEIYAGMVFK T0339 219 :DLGVDFLTIV 1bw0A 240 :ETTVPRVILG T0339 229 :G 1bw0A 251 :T T0339 233 :Y 1bw0A 255 :L T0339 234 :GP 1bw0A 257 :VP T0339 236 :RIGALYIRGLG 1bw0A 261 :RLGWLLYVDPH T0339 258 :GGQ 1bw0A 272 :GNG T0339 267 :GTENTPMIAGLGKAA 1bw0A 289 :CGPCTVVQAALGEAL T0339 285 :TQ 1bw0A 304 :LN T0339 287 :NCEAYEAHMRDVRD 1bw0A 307 :PQEHLDQIVAKIEE T0339 301 :YLEERLEAEFG 1bw0A 324 :YLYNHIGECIG T0339 315 :IHLNSQ 1bw0A 335 :LAPTMP T0339 326 :RLPNTCNFSIRGPRLQ 1bw0A 341 :RGAMYLMSRIDLEKYR T0339 342 :GHVVLAQCRV 1bw0A 361 :DVEFFEKLLE T0339 352 :LMASVGA 1bw0A 374 :VQVLPGT T0339 379 :FDVARNALRLSVGR 1bw0A 381 :IFHAPGFTRLTTTR T0339 395 :TRAEVDLVVQDLKQAVAQL 1bw0A 395 :PVEVYREAVERIKAFCQRH Number of specific fragments extracted= 25 number of extra gaps= 1 total=498 Number of alignments=22 # 1bw0A read from 1bw0A/merged-good-all-a2m # found chain 1bw0A in template set Warning: unaligning (T0339)N169 because of BadResidue code BAD_PEPTIDE in next template residue (1bw0A)N188 Warning: unaligning (T0339)N170 because of BadResidue code BAD_PEPTIDE at template residue (1bw0A)N188 Warning: unaligning (T0339)H230 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1bw0A)N254 T0339 2 :RKVYMDYNA 1bw0A 34 :PIIKLSVGD T0339 11 :TTPLEPEVIQAMTKAMWEAWGNPSSPYSAG 1bw0A 48 :NLLTSAAQIKKLKEAIDSQECNGYFPTVGS T0339 44 :KDIINAARESLAKMI 1bw0A 78 :PEAREAVATWWRNSF T0339 60 :GKPQDIIFTSGGTESNNLVIHSV 1bw0A 102 :IVKDNVVLCSGGSHGILMAITAI T0339 91 :TSKGH 1bw0A 125 :CDAGD T0339 109 :HFITSSVEHDSIRLPLEHL 1bw0A 130 :YALVPQPGFPHYETVCKAY T0339 132 :VAAVTFVPVSKV 1bw0A 149 :GIGMHFYNCRPE T0339 144 :SGQTEVDDILAAVRPTTRLVTIMLA 1bw0A 162 :DWEADLDEIRRLKDDKTKLLIVTNP T0339 171 :ETGIVMPVPEISQ 1bw0A 189 :PCGSNFSRKHVED T0339 185 :IKALNQER 1bw0A 202 :IVRLAEEL T0339 199 :PILVHTDAAQALGKQR 1bw0A 210 :RLPLFSDEIYAGMVFK T0339 216 :D 1bw0A 234 :T T0339 217 :VEDLGV 1bw0A 236 :VADFET T0339 223 :DFLTIVG 1bw0A 245 :RVILGGT T0339 232 :FY 1bw0A 255 :LV T0339 234 :GPRIGALYIR 1bw0A 259 :GWRLGWLLYV T0339 244 :G 1bw0A 270 :P T0339 245 :LGEFT 1bw0A 277 :FLEGL T0339 266 :PGTENTPMIAGLGKAAELVTQ 1bw0A 288 :VCGPCTVVQAALGEALLNTPQ T0339 287 :NCEAYEAHMRDVRDYLEERLEA 1bw0A 310 :HLDQIVAKIEESAMYLYNHIGE T0339 312 :QKRIHLNSQFP 1bw0A 332 :CIGLAPTMPRG T0339 328 :PNTCNFSIRGPR 1bw0A 343 :AMYLMSRIDLEK T0339 340 :LQ 1bw0A 358 :IK T0339 342 :GHVVLAQCRV 1bw0A 361 :DVEFFEKLLE T0339 352 :LMASVGAACHS 1bw0A 374 :VQVLPGTIFHA T0339 383 :RNALRLSVGR 1bw0A 385 :PGFTRLTTTR T0339 395 :TRAEVDLVVQDLKQAVAQL 1bw0A 395 :PVEVYREAVERIKAFCQRH Number of specific fragments extracted= 27 number of extra gaps= 1 total=525 Number of alignments=23 # 1bw0A read from 1bw0A/merged-good-all-a2m # found chain 1bw0A in template set Warning: unaligning (T0339)N169 because of BadResidue code BAD_PEPTIDE in next template residue (1bw0A)N188 Warning: unaligning (T0339)N170 because of BadResidue code BAD_PEPTIDE at template residue (1bw0A)N188 Warning: unaligning (T0339)F232 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1bw0A)N254 T0339 2 :RKVYMDYNATT 1bw0A 34 :PIIKLSVGDPT T0339 13 :PLEPEVIQAMTKAMWEAWGNPSSPYSAGRKAKDIINAARESLA 1bw0A 50 :LTSAAQIKKLKEAIDSQECNGYFPTVGSPEAREAVATWWRNSF T0339 60 :GKPQDIIFTSGGTESNNLVIHSV 1bw0A 102 :IVKDNVVLCSGGSHGILMAITAI T0339 104 :KGAKPHFITSSVEHDSIRLPLEHL 1bw0A 125 :CDAGDYALVPQPGFPHYETVCKAY T0339 132 :VAAVTFVPVS 1bw0A 149 :GIGMHFYNCR T0339 142 :KVSGQTEVDDILAAVRPTTRLVTIMLA 1bw0A 160 :ENDWEADLDEIRRLKDDKTKLLIVTNP T0339 171 :ETGIVMP 1bw0A 189 :PCGSNFS T0339 178 :VPEISQRIKA 1bw0A 199 :VEDIVRLAEE T0339 198 :PPILVHTDAAQALGKQRVD 1bw0A 209 :LRLPLFSDEIYAGMVFKGK T0339 219 :DLGVDFLTIVGH 1bw0A 240 :ETTVPRVILGGT T0339 233 :YGPR 1bw0A 255 :LVVP T0339 237 :IGALYI 1bw0A 262 :LGWLLY T0339 254 :MLFGGGQ 1bw0A 268 :VDPHGNG T0339 267 :GTENTPMIAGLGKAAELVT 1bw0A 289 :CGPCTVVQAALGEALLNTP T0339 286 :QNCEAYEAHMRDVRDYLEERLEAEFGQKRIH 1bw0A 309 :EHLDQIVAKIEESAMYLYNHIGECIGLAPTM T0339 325 :QRLPNTCNFSIRG 1bw0A 340 :PRGAMYLMSRIDL T0339 338 :PR 1bw0A 359 :KT T0339 340 :LQGHVVLAQCRVLMASVGAA 1bw0A 362 :VEFFEKLLEEENVQVLPGTI T0339 380 :DVARNALRLSVGR 1bw0A 382 :FHAPGFTRLTTTR T0339 395 :TRAEVDLVVQDLKQAVAQL 1bw0A 395 :PVEVYREAVERIKAFCQRH Number of specific fragments extracted= 20 number of extra gaps= 1 total=545 Number of alignments=24 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1fg7A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0339 read from 1fg7A/merged-good-all-a2m # 1fg7A read from 1fg7A/merged-good-all-a2m # found chain 1fg7A in training set T0339 49 :AARESLAKMIGGKPQDIIFTSGGTESNNLVIHSVV 1fg7A 62 :AVIENYAQYAGVKPEQVLVSRGADEGIELLIRAFC T0339 104 :KGAKPHFITSSVEHDSIRLPLEHL 1fg7A 97 :EPGKDAILYCPPTYGMYSVSAETI T0339 132 :VAAVTFVPVSK 1fg7A 121 :GVECRTVPTLD T0339 144 :SGQTEVDDILAAV 1fg7A 132 :NWQLDLQGISDKL T0339 158 :PTTRLVTIMLANNETGIVMP 1fg7A 145 :DGVKVVYVCSPNNPTGQLIN T0339 178 :VPEISQRIKALN 1fg7A 168 :FRTLLELTRGKA T0339 200 :ILVHTDAAQALGKQRVDVEDLG 1fg7A 180 :IVVADEAYIEFCPQASLAGWLA T0339 224 :FLTIVGHKFYGP 1fg7A 207 :AILRTLSKAFAL T0339 236 :R 1fg7A 220 :G T0339 237 :IGALYIRG 1fg7A 223 :CGFTLANE T0339 246 :G 1fg7A 231 :E T0339 261 :ERNFRP 1fg7A 241 :APYPLS T0339 268 :T 1fg7A 247 :T T0339 275 :AGLGKAAELVTQ 1fg7A 248 :PVADIAAQALSP T0339 287 :NCEAYEAHMRDVRD 1fg7A 261 :GIVAMRERVAQIIA T0339 301 :YLEERLEAEFG 1fg7A 278 :YLIAALKEIPC T0339 315 :IHLNSQFP 1fg7A 289 :VEQVFDSE T0339 328 :PNTCNFSIRG 1fg7A 297 :TNYILARFKA T0339 342 :GHVVLAQCRV 1fg7A 307 :SSAVFKSLWD T0339 352 :LMASV 1fg7A 319 :IILRD T0339 362 :S 1fg7A 324 :Q T0339 377 :VPFDVARNALRLSVGR 1fg7A 325 :NKQPSLSGCLRITVGT T0339 396 :RAEVDLVVQDLK 1fg7A 341 :REESQRVIDALR Number of specific fragments extracted= 23 number of extra gaps= 0 total=568 Number of alignments=25 # 1fg7A read from 1fg7A/merged-good-all-a2m # found chain 1fg7A in training set T0339 2 :RKVYMD 1fg7A 30 :GDVWLN T0339 8 :YNA 1fg7A 37 :NEY T0339 14 :LE 1fg7A 47 :LT T0339 29 :AWGNPSSPYS 1fg7A 52 :LNRYPECQPK T0339 49 :AARESLAKMIGGKPQDIIFTSGGTESNNLVIHSV 1fg7A 62 :AVIENYAQYAGVKPEQVLVSRGADEGIELLIRAF T0339 91 :TSKG 1fg7A 96 :CEPG T0339 95 :H 1fg7A 101 :D T0339 109 :HFITSSVEHDSIRLPLEHL 1fg7A 102 :AILYCPPTYGMYSVSAETI T0339 132 :VAAVTFVPVSK 1fg7A 121 :GVECRTVPTLD T0339 144 :SGQTEVDDILA 1fg7A 132 :NWQLDLQGISD T0339 158 :PTTRLVTIMLANNETGIVMPVPEISQ 1fg7A 145 :DGVKVVYVCSPNNPTGQLINPQDFRT T0339 185 :IKALNQE 1fg7A 171 :LLELTRG T0339 199 :PILVHTDAAQALGKQR 1fg7A 178 :KAIVVADEAYIEFCPQ T0339 216 :D 1fg7A 195 :S T0339 217 :VEDL 1fg7A 197 :AGWL T0339 221 :GV 1fg7A 202 :EY T0339 223 :DFLTIVGHK 1fg7A 206 :LAILRTLSK T0339 232 :FY 1fg7A 216 :FA T0339 234 :GPRIGALYIR 1fg7A 220 :GLRCGFTLAN T0339 244 :G 1fg7A 231 :E T0339 245 :LGEFTP 1fg7A 236 :LMKVIA T0339 266 :PGTENTPMIAGLGKAA 1fg7A 242 :PYPLSTPVADIAAQAL T0339 285 :TQNCEAYEAHMRDVRDYLEERLEA 1fg7A 262 :IVAMRERVAQIIAEREYLIAALKE T0339 312 :QKRIHLNSQFP 1fg7A 286 :IPCVEQVFDSE T0339 328 :PNTCNFSIRG 1fg7A 297 :TNYILARFKA T0339 342 :GHVVLAQCRVLMASVGAACHSDHG 1fg7A 307 :SSAVFKSLWDQGIILRDQNKQPSL T0339 383 :RNALRLSVG 1fg7A 331 :SGCLRITVG T0339 395 :TRAEVDLVVQDLK 1fg7A 340 :TREESQRVIDALR Number of specific fragments extracted= 28 number of extra gaps= 0 total=596 Number of alignments=26 # 1fg7A read from 1fg7A/merged-good-all-a2m # found chain 1fg7A in training set T0339 13 :PLEPEVIQAMTKAM 1fg7A 58 :CQPKAVIENYAQYA T0339 59 :GGKPQDIIFTSGGTESNNLVIHSV 1fg7A 72 :GVKPEQVLVSRGADEGIELLIRAF T0339 103 :VKGAKPHFITSSVEHDSIRLPLEHL 1fg7A 96 :CEPGKDAILYCPPTYGMYSVSAETI T0339 132 :VAAVTFVPVS 1fg7A 121 :GVECRTVPTL T0339 143 :VSGQTEVDDILAAV 1fg7A 131 :DNWQLDLQGISDKL T0339 158 :PTTRLVTIMLANNETGIVMP 1fg7A 145 :DGVKVVYVCSPNNPTGQLIN T0339 178 :VPEISQRIK 1fg7A 168 :FRTLLELTR T0339 198 :PPILVHTDAAQALGKQRVD 1fg7A 177 :GKAIVVADEAYIEFCPQAS T0339 217 :VEDLGVDFLTIVGHKFYGPR 1fg7A 200 :LAEYPHLAILRTLSKAFALA T0339 237 :IGALYIRGLGEFTPLYPMLFGGGQ 1fg7A 223 :CGFTLANEEVINLLMKVIAPYPLS T0339 269 :EN 1fg7A 247 :TP T0339 276 :GLGKAAELVT 1fg7A 249 :VADIAAQALS T0339 286 :QNCEAYEAHMR 1fg7A 260 :QGIVAMRERVA T0339 297 :DVRDYLEERLEAEFGQKRIH 1fg7A 274 :AEREYLIAALKEIPCVEQVF T0339 325 :QRLPNTCNFSIRG 1fg7A 294 :DSETNYILARFKA T0339 340 :LQGHVVLAQCRVLMASVG 1fg7A 307 :SSAVFKSLWDQGIILRDQ T0339 377 :VPFDVARNALRLSVG 1fg7A 325 :NKQPSLSGCLRITVG T0339 395 :TRAEVDLVVQDLK 1fg7A 340 :TREESQRVIDALR Number of specific fragments extracted= 18 number of extra gaps= 0 total=614 Number of alignments=27 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1fc4A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1fc4A expands to /projects/compbio/data/pdb/1fc4.pdb.gz 1fc4A:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # T0339 read from 1fc4A/merged-good-all-a2m # 1fc4A read from 1fc4A/merged-good-all-a2m # adding 1fc4A to template set # found chain 1fc4A in template set T0339 3 :KVYMDYNATTPL 1fc4A 44 :VINFCANNYLGL T0339 15 :EPEVIQA 1fc4A 58 :HPDLIAA T0339 23 :TKAMWEAWGN 1fc4A 65 :AKAGMDSHGF T0339 33 :PSSP 1fc4A 76 :MASV T0339 37 :YSAG 1fc4A 81 :FICG T0339 43 :AKDIINAARESLAKMIGG 1fc4A 85 :TQDSHKELEQKLAAFLGM T0339 63 :QDIIFTSGGTESNNLVIHSVV 1fc4A 103 :EDAILYSSCFDANGGLFETLL T0339 105 :GAKPHFITSSV 1fc4A 124 :GAEDAIISDAL T0339 120 :IRLPLEHLVEEQVAAVTFVPVS 1fc4A 135 :NHASIIDGVRLCKAKRYRYANN T0339 148 :EVDDILAAV 1fc4A 157 :DMQELEARL T0339 157 :RPTTR 1fc4A 170 :EAGAR T0339 162 :LVTIMLANNETGIVMPVPEISQRIKALN 1fc4A 177 :LIATDGVFSMDGVIANLKGVCDLADKYD T0339 200 :ILVHTDAAQALGKQ 1fc4A 205 :ALVMVDDSHAVGFV T0339 217 :VEDLG 1fc4A 229 :CDVMG T0339 222 :VDFLTIVGHKFY 1fc4A 235 :VDIITGTLGKAL T0339 234 :GPRIGALYIRG 1fc4A 248 :GASGGYTAARK T0339 246 :GEFTP 1fc4A 259 :EVVEW T0339 265 :RPGTENTPMIAGLGKAAELVTQ 1fc4A 273 :FSNSLAPAIVAASIKVLEMVEA T0339 289 :EAYEAHMRDVRDYLEERLEAE 1fc4A 296 :SELRDRLWANARQFREQMSAA T0339 311 :G 1fc4A 317 :G T0339 315 :IHLNSQF 1fc4A 318 :FTLAGAD T0339 328 :PNTCNFSIRG 1fc4A 325 :HAIIPVMLGD T0339 339 :RLQGHVVLAQCRV 1fc4A 335 :AVVAQKFARELQK T0339 352 :LMASV 1fc4A 350 :IYVTG T0339 360 :CHSDH 1fc4A 355 :FFYPV T0339 377 :VPFD 1fc4A 360 :VPKG T0339 383 :RNALRLSVGRSTTRAEVDLVVQDLKQAVAQL 1fc4A 364 :QARIRTQMSAAHTPEQITRAVEAFTRIGKQL Number of specific fragments extracted= 27 number of extra gaps= 0 total=641 Number of alignments=28 # 1fc4A read from 1fc4A/merged-good-all-a2m # found chain 1fc4A in template set T0339 1 :ER 1fc4A 40 :DG T0339 3 :KVYMD 1fc4A 44 :VINFC T0339 8 :YNATT 1fc4A 50 :NNYLG T0339 13 :PLEPEVIQAMTKAMWE 1fc4A 56 :ANHPDLIAAAKAGMDS T0339 30 :WGNPSSPYSAGRKAKDIINAARESLAKMIGG 1fc4A 72 :HGFGMASVRFICGTQDSHKELEQKLAAFLGM T0339 63 :QDIIFTSGGTESNNLVIHSV 1fc4A 103 :EDAILYSSCFDANGGLFETL T0339 91 :TSKGH 1fc4A 123 :LGAED T0339 109 :HFITSSVEHDSIRLPLEHL 1fc4A 128 :AIISDALNHASIIDGVRLC T0339 132 :VAAVTFVPVS 1fc4A 147 :KAKRYRYANN T0339 148 :EVDDILAAVR 1fc4A 157 :DMQELEARLK T0339 158 :PTT 1fc4A 171 :AGA T0339 161 :RLVTIMLANNETGIVMPVPEISQ 1fc4A 176 :VLIATDGVFSMDGVIANLKGVCD T0339 188 :LNQER 1fc4A 199 :LADKY T0339 199 :PILVHTDAAQALGKQR 1fc4A 204 :DALVMVDDSHAVGFVG T0339 215 :VDVEDL 1fc4A 223 :RGSHEY T0339 221 :GVDFLTIVGHK 1fc4A 234 :RVDIITGTLGK T0339 232 :FYGPRIGALYIR 1fc4A 246 :LGGASGGYTAAR T0339 244 :GLGEFT 1fc4A 259 :EVVEWL T0339 250 :PLYPMLFG 1fc4A 266 :QRSRPYLF T0339 266 :PGTENTPMIAGLGKAAELVTQ 1fc4A 274 :SNSLAPAIVAASIKVLEMVEA T0339 288 :CEAYEAHMRDVRDYLEERLEAE 1fc4A 295 :GSELRDRLWANARQFREQMSAA T0339 314 :RIHLNSQF 1fc4A 317 :GFTLAGAD T0339 328 :PNTCNFSIRG 1fc4A 325 :HAIIPVMLGD T0339 340 :LQ 1fc4A 335 :AV T0339 342 :GHVVLAQCRV 1fc4A 338 :AQKFARELQK T0339 352 :LMASVGAACHSDHG 1fc4A 350 :IYVTGFFYPVVPKG T0339 383 :RNALRLSVGRSTTRAEVDLVVQDLKQAVAQL 1fc4A 364 :QARIRTQMSAAHTPEQITRAVEAFTRIGKQL Number of specific fragments extracted= 27 number of extra gaps= 0 total=668 Number of alignments=29 # 1fc4A read from 1fc4A/merged-good-all-a2m # found chain 1fc4A in template set T0339 4 :VYMDYNATTPL 1fc4A 45 :INFCANNYLGL T0339 15 :EPEVIQAMTKAMWEA 1fc4A 58 :HPDLIAAAKAGMDSH T0339 31 :GNPSSPYSAGRKAKDIINAARESLAKMIGG 1fc4A 73 :GFGMASVRFICGTQDSHKELEQKLAAFLGM T0339 63 :QDIIFTSGGTESNNLVIHSV 1fc4A 103 :EDAILYSSCFDANGGLFETL T0339 104 :KGAKPHFITSSVEHDSIRLPLEHL 1fc4A 123 :LGAEDAIISDALNHASIIDGVRLC T0339 132 :VAA 1fc4A 147 :KAK T0339 137 :FVPVS 1fc4A 150 :RYRYA T0339 143 :VS 1fc4A 155 :NN T0339 148 :EVDDILAAV 1fc4A 157 :DMQELEARL T0339 157 :RPTTR 1fc4A 170 :EAGAR T0339 162 :LVTIMLANNETGIVMPVPEISQRIKA 1fc4A 177 :LIATDGVFSMDGVIANLKGVCDLADK T0339 198 :PPILVHTDAAQALGKQR 1fc4A 203 :YDALVMVDDSHAVGFVG T0339 217 :VEDLG 1fc4A 229 :CDVMG T0339 222 :VDFLTIVGHKFYGPR 1fc4A 235 :VDIITGTLGKALGGA T0339 237 :IGALYIRGLGEFTPLY 1fc4A 251 :GGYTAARKEVVEWLRQ T0339 264 :FRPGTENTPMIAGLGKAAELVT 1fc4A 272 :LFSNSLAPAIVAASIKVLEMVE T0339 289 :EAYEAHMRDVRDYLEERLEAE 1fc4A 296 :SELRDRLWANARQFREQMSAA T0339 311 :GQKRIH 1fc4A 317 :GFTLAG T0339 326 :RLPNTCNFSIRG 1fc4A 323 :ADHAIIPVMLGD T0339 339 :RLQGHVVLAQCRVLMASV 1fc4A 337 :VAQKFARELQKEGIYVTG T0339 360 :CHSDHG 1fc4A 355 :FFYPVV T0339 380 :DVARNALRLSVGRSTTRAEVDLVVQDLKQAVAQL 1fc4A 361 :PKGQARIRTQMSAAHTPEQITRAVEAFTRIGKQL Number of specific fragments extracted= 22 number of extra gaps= 0 total=690 Number of alignments=30 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1kmjA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments Warning: Couldn't open file /projects/compbio/experiments/protein-predict/casp7/T0339/1kmjA/merged-good-all-a2m or /projects/compbio/experiments/protein-predict/casp7/T0339/1kmjA/merged-good-all-a2m.gz for input Trying 1kmjA/merged-good-all-a2m Error: Couldn't open file 1kmjA/merged-good-all-a2m or 1kmjA/merged-good-all-a2m.gz for input # Reading fragments from alignment file # Attempting to read fragment alignments from file 1yizA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1yizA expands to /projects/compbio/data/pdb/1yiz.pdb.gz 1yizA:Bad short name: N1 for alphabet: pdb_atoms Bad short name: C2 for alphabet: pdb_atoms Bad short name: C2' for alphabet: pdb_atoms Bad short name: C3 for alphabet: pdb_atoms Bad short name: O3 for alphabet: pdb_atoms Bad short name: C4 for alphabet: pdb_atoms Bad short name: C4' for alphabet: pdb_atoms Bad short name: C5 for alphabet: pdb_atoms Bad short name: C6 for alphabet: pdb_atoms Bad short name: C5' for alphabet: pdb_atoms Bad short name: OP4 for alphabet: pdb_atoms Bad short name: P for alphabet: pdb_atoms Bad short name: OP1 for alphabet: pdb_atoms Bad short name: OP2 for alphabet: pdb_atoms Bad short name: OP3 for alphabet: pdb_atoms # T0339 read from 1yizA/merged-good-all-a2m # 1yizA read from 1yizA/merged-good-all-a2m # adding 1yizA to template set # found chain 1yizA in template set Warning: unaligning (T0339)P33 because of BadResidue code BAD_PEPTIDE in next template residue (1yizA)R75 Warning: unaligning (T0339)S34 because of BadResidue code BAD_PEPTIDE at template residue (1yizA)R75 Warning: unaligning (T0339)P139 because of BadResidue code BAD_PEPTIDE in next template residue (1yizA)L154 Warning: unaligning (T0339)V140 because of BadResidue code BAD_PEPTIDE at template residue (1yizA)L154 Warning: unaligning (T0339)Q213 because of BadResidue code BAD_PEPTIDE in next template residue (1yizA)E230 Warning: unaligning (T0339)H230 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1yizA)T256 Warning: unaligning (T0339)F232 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1yizA)T256 T0339 2 :RKVYMDYNATT 1yizA 38 :KPLNLGQGFPD T0339 13 :PLEPEVIQAMTKA 1yizA 50 :HAPKYALNALAAA T0339 27 :WE 1yizA 63 :AN T0339 29 :AWGN 1yizA 70 :ANQY T0339 35 :SP 1yizA 76 :GF T0339 37 :Y 1yizA 79 :H T0339 44 :KDIINAARESLAKMIGG 1yizA 80 :PRLVQALSKLYSQLVDR T0339 61 :KPQ 1yizA 99 :NPM T0339 64 :DIIFTSGGTESNNLVIHSVV 1yizA 103 :EVLVTVGAYEALYATIQGHV T0339 105 :GAKPHFITSSVEHDSIRLPL 1yizA 123 :DEGDEVIIIEPFFDCYEPMV T0339 129 :EEQVAAVTFV 1yizA 143 :KAAGGIPRFI T0339 141 :S 1yizA 155 :K T0339 142 :KVSG 1yizA 158 :KTGG T0339 146 :QTEVDDILAAVRPTTRLVTIMLANNETGIVMP 1yizA 169 :VLDNNELEALFNEKTKMIIINTPHNPLGKVMD T0339 178 :VPEISQRIKALN 1yizA 204 :LEVVANLCKKWN T0339 200 :ILVHTDAAQALGK 1yizA 216 :VLCVSDEVYEHMV T0339 214 :RVDV 1yizA 234 :HIRI T0339 219 :DLG 1yizA 239 :TLP T0339 223 :DFLTIVG 1yizA 247 :TITIGSA T0339 233 :YGP 1yizA 257 :FSL T0339 236 :R 1yizA 261 :G T0339 237 :IGALYIRG 1yizA 264 :IGWAYGPE T0339 246 :G 1yizA 272 :A T0339 266 :PGTENTPMIAGLGKAAELVTQ 1yizA 285 :VYTCATPIQEAIAVGFETELK T0339 287 :NCEAYEAHMRDVRDYLEERLEAE 1yizA 313 :YFNSISGELMAKRDYMASFLAEV T0339 311 :G 1yizA 336 :G T0339 315 :IHLNSQ 1yizA 337 :MNPTVP T0339 326 :RLPNTCNFSI 1yizA 343 :QGGYFMVADW T0339 336 :RGPRLQGHVVLAQCRVLMASVG 1yizA 364 :ETDARKDYRFTKWMTKSVGLQG T0339 358 :AACHSDH 1yizA 389 :SAFYSEP T0339 378 :PFDVARNALRLSVGR 1yizA 396 :NKHLGEDFVRYCFFK T0339 395 :TRAEVDLVVQDLKQA 1yizA 411 :KDENLQKAAEILRKW Number of specific fragments extracted= 32 number of extra gaps= 3 total=722 Number of alignments=31 # 1yizA read from 1yizA/merged-good-all-a2m # found chain 1yizA in template set Warning: unaligning (T0339)G40 because of BadResidue code BAD_PEPTIDE in next template residue (1yizA)R75 Warning: unaligning (T0339)R41 because of BadResidue code BAD_PEPTIDE at template residue (1yizA)R75 Warning: unaligning (T0339)P139 because of BadResidue code BAD_PEPTIDE in next template residue (1yizA)L154 Warning: unaligning (T0339)V140 because of BadResidue code BAD_PEPTIDE at template residue (1yizA)L154 Warning: unaligning (T0339)Q213 because of BadResidue code BAD_PEPTIDE in next template residue (1yizA)E230 Warning: unaligning (T0339)R214 because of BadResidue code BAD_PEPTIDE at template residue (1yizA)E230 Warning: unaligning (T0339)H230 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1yizA)T256 T0339 2 :RKVYMDYNATT 1yizA 38 :KPLNLGQGFPD T0339 13 :PLEPEVIQAMTKA 1yizA 50 :HAPKYALNALAAA T0339 30 :WGNPSSP 1yizA 63 :ANSPDPL T0339 37 :YSA 1yizA 71 :NQY T0339 42 :KAKDIINAARESLAKMIGGKPQ 1yizA 78 :GHPRLVQALSKLYSQLVDRTIN T0339 64 :DIIFTSGGTESNNLVIHSV 1yizA 103 :EVLVTVGAYEALYATIQGH T0339 91 :TSKGH 1yizA 122 :VDEGD T0339 109 :HFITSSVEHDSIRLPLEHL 1yizA 127 :EVIIIEPFFDCYEPMVKAA T0339 132 :VAAVTFV 1yizA 146 :GGIPRFI T0339 141 :SKV 1yizA 155 :KPN T0339 144 :SGQT 1yizA 160 :GGTI T0339 148 :EVDDILAAVRPTTRLVTIMLANNETGIVMPVPEISQ 1yizA 171 :DNNELEALFNEKTKMIIINTPHNPLGKVMDRAELEV T0339 185 :IKALNQER 1yizA 207 :VANLCKKW T0339 199 :PILVHTDAAQALGK 1yizA 215 :NVLCVSDEVYEHMV T0339 217 :VEDL 1yizA 237 :ICTL T0339 221 :GV 1yizA 242 :GM T0339 223 :DFLTIVG 1yizA 247 :TITIGSA T0339 232 :FY 1yizA 257 :FS T0339 234 :GPRIGALYIR 1yizA 261 :GWKIGWAYGP T0339 244 :GLGEFTPLYPMLF 1yizA 272 :ALLKNLQMVHQNC T0339 266 :PGTENTPMIAGLGKAAELVTQ 1yizA 285 :VYTCATPIQEAIAVGFETELK T0339 288 :CEAYEAHMRDVRDYLEERLEAE 1yizA 314 :FNSISGELMAKRDYMASFLAEV T0339 314 :RIHLNSQFP 1yizA 336 :GMNPTVPQG T0339 328 :PNTCNFSIRGPR 1yizA 345 :GYFMVADWSSLD T0339 340 :LQGHVVLAQCRV 1yizA 368 :RKDYRFTKWMTK T0339 352 :LMASVGAACHSDH 1yizA 383 :LQGIPPSAFYSEP T0339 378 :PFDVARNALRLSVGR 1yizA 396 :NKHLGEDFVRYCFFK T0339 395 :TRAEVDLVVQDLKQA 1yizA 411 :KDENLQKAAEILRKW Number of specific fragments extracted= 28 number of extra gaps= 3 total=750 Number of alignments=32 # 1yizA read from 1yizA/merged-good-all-a2m # found chain 1yizA in template set Warning: unaligning (T0339)S38 because of BadResidue code BAD_PEPTIDE in next template residue (1yizA)R75 Warning: unaligning (T0339)A39 because of BadResidue code BAD_PEPTIDE at template residue (1yizA)R75 Warning: unaligning (T0339)P139 because of BadResidue code BAD_PEPTIDE in next template residue (1yizA)L154 Warning: unaligning (T0339)V140 because of BadResidue code BAD_PEPTIDE at template residue (1yizA)L154 Warning: unaligning (T0339)K212 because of BadResidue code BAD_PEPTIDE in next template residue (1yizA)E230 Warning: unaligning (T0339)Q213 because of BadResidue code BAD_PEPTIDE at template residue (1yizA)E230 Warning: unaligning (T0339)H230 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1yizA)T256 Warning: unaligning (T0339)F232 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1yizA)T256 T0339 2 :RKVYMDYNATT 1yizA 38 :KPLNLGQGFPD T0339 13 :PLEPEVIQAMTKAMW 1yizA 50 :HAPKYALNALAAAAN T0339 34 :S 1yizA 69 :L T0339 35 :SPY 1yizA 71 :NQY T0339 40 :GRKAKDIINAARESLAKMIGG 1yizA 76 :GFGHPRLVQALSKLYSQLVDR T0339 61 :KP 1yizA 99 :NP T0339 63 :QDIIFTSGGTESNNLVIHSV 1yizA 102 :TEVLVTVGAYEALYATIQGH T0339 104 :KGAKPHFITSSVEHDSIRLPLEHL 1yizA 122 :VDEGDEVIIIEPFFDCYEPMVKAA T0339 132 :VAAVTFV 1yizA 146 :GGIPRFI T0339 141 :S 1yizA 155 :K T0339 142 :KVSGQTEVDDILAAVRPTTRLVTIMLANNETGIVMP 1yizA 165 :SADWVLDNNELEALFNEKTKMIIINTPHNPLGKVMD T0339 178 :VPEISQRIKA 1yizA 204 :LEVVANLCKK T0339 198 :PPILVHTDAAQ 1yizA 214 :WNVLCVSDEVY T0339 209 :ALG 1yizA 226 :HMV T0339 214 :RVD 1yizA 231 :PFE T0339 223 :DFLTIVG 1yizA 247 :TITIGSA T0339 233 :YGPR 1yizA 257 :FSLT T0339 237 :IGALYIRGLGEFTPLYPMLFG 1yizA 264 :IGWAYGPEALLKNLQMVHQNC T0339 266 :PGTENTPMIAGLGKAAELVTQNCE 1yizA 285 :VYTCATPIQEAIAVGFETELKRLK T0339 290 :AYEAHMRDVRDYLEERLEAEFGQKRIH 1yizA 316 :SISGELMAKRDYMASFLAEVGMNPTVP T0339 326 :RLPNTCNFSIRGPR 1yizA 343 :QGGYFMVADWSSLD T0339 340 :LQGHVVLAQCRVLMASVGAACHSDHG 1yizA 371 :YRFTKWMTKSVGLQGIPPSAFYSEPN T0339 379 :FDVARNALRLSVG 1yizA 397 :KHLGEDFVRYCFF T0339 394 :TTRAEVDLVVQDLKQA 1yizA 410 :KKDENLQKAAEILRKW Number of specific fragments extracted= 24 number of extra gaps= 3 total=774 Number of alignments=33 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1elqA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1elqA expands to /projects/compbio/data/pdb/1elq.pdb.gz 1elqA:# T0339 read from 1elqA/merged-good-all-a2m # 1elqA read from 1elqA/merged-good-all-a2m # adding 1elqA to template set # found chain 1elqA in template set T0339 3 :KVYMDYNATTPLEPEVIQAMTKAMWEAWGN 1elqA 20 :KTYFNFGGQGILPTVALEAITAMYGYLQEN T0339 33 :PSS 1elqA 51 :PFS T0339 37 :YSAGRKAKDIINAARESLAKMIGGKPQDIIFTSGGTESNNLVIHSV 1elqA 54 :IAANQHIQQLIAQLRQALAETFNVDPNTITITDNVTTGCDIVLWGL T0339 90 :Q 1elqA 101 :W T0339 105 :GAKPHFITSSVEHDSIRLPLEHLVEEQVAAVTFVPVSKVSGQTE 1elqA 102 :HQGDEILLTDCEHPGIIAIVQAIAARFGITYRFFPVAATLNQGD T0339 149 :VDDILAAVRPTTRLVTIMLANNETGIVMPVPEISQRIKALN 1elqA 147 :AAVLANHLGPKTRLVILSHLLWNTGQVLPLAEIMAVCRRHQ T0339 196 :GLPPILVHTDAAQALGKQRVDVEDLGVDFLTIVGHKFY 1elqA 188 :GNYPVRVLVDGAQSAGSLPLDFSRLEVDYYAFTGHKWF T0339 234 :GP 1elqA 227 :GP T0339 236 :RIGALYIRG 1elqA 230 :GVGGLYIHG T0339 246 :GEFTPLYPMLFGGGQ 1elqA 239 :DCLGEINPTYVGWRS T0339 261 :ERNFRPGTENTPMIAGLGKAAELVTQ 1elqA 269 :GKRFEVATSAYPQYAGLLAALQLHQR T0339 287 :NCEAYEAHMRDVRDYLEERLEAEFG 1elqA 297 :TAEERYQAICQRSEFLWRGLNQLPH T0339 315 :IHLNSQ 1elqA 322 :VHCLAT T0339 323 :GTQRLP 1elqA 328 :SAPQAG T0339 330 :TCNFSIRGP 1elqA 334 :LVSFTVDSP T0339 340 :LQGHVVLAQCRV 1elqA 343 :LGHRAIVQKLEE T0339 352 :LMASV 1elqA 357 :IYLRT T0339 377 :VPF 1elqA 362 :IAD T0339 383 :RNALRLSVGRSTTRAEVDLVVQDL 1elqA 365 :PDCIRACCHYITDEEEINHLLARL Number of specific fragments extracted= 19 number of extra gaps= 0 total=793 Number of alignments=34 # 1elqA read from 1elqA/merged-good-all-a2m # found chain 1elqA in template set T0339 2 :RKVYMDYNATTPLEPEVIQA 1elqA 19 :NKTYFNFGGQGILPTVALEA T0339 22 :MTKAMWE 1elqA 42 :MYGYLQE T0339 32 :NPSSPYSAGRKAKDIINAARESLAKMIGGKPQDIIFTSGGTESNNLVIHSV 1elqA 49 :NGPFSIAANQHIQQLIAQLRQALAETFNVDPNTITITDNVTTGCDIVLWGL T0339 90 :QTSKGH 1elqA 100 :DWHQGD T0339 109 :HFITSSVEHDSIRLPLEHLVEEQVAAVTFVPVSKV 1elqA 106 :EILLTDCEHPGIIAIVQAIAARFGITYRFFPVAAT T0339 144 :SGQ 1elqA 142 :NQG T0339 148 :E 1elqA 145 :D T0339 149 :VDDILAAVRPTTRLVTIMLANNETGIVMPVPEISQ 1elqA 147 :AAVLANHLGPKTRLVILSHLLWNTGQVLPLAEIMA T0339 188 :LNQER 1elqA 182 :VCRRH T0339 196 :GLP 1elqA 187 :QGN T0339 199 :PILVHTDAAQALGKQRVDVEDLGVDFLTIVGHK 1elqA 191 :PVRVLVDGAQSAGSLPLDFSRLEVDYYAFTGHK T0339 232 :FY 1elqA 225 :FA T0339 234 :GPRIGALYIR 1elqA 228 :PAGVGGLYIH T0339 244 :GLGEFTP 1elqA 239 :DCLGEIN T0339 251 :LYPM 1elqA 252 :RSIT T0339 260 :QERNFRPGTENTPMIAGLGKAAELVTQ 1elqA 268 :GGKRFEVATSAYPQYAGLLAALQLHQR T0339 287 :NCEAYEAHMRDVRDYLEERLEA 1elqA 297 :TAEERYQAICQRSEFLWRGLNQ T0339 312 :QKRIHLNSQFPGT 1elqA 319 :LPHVHCLATSAPQ T0339 328 :PNTCNFSIRGP 1elqA 332 :AGLVSFTVDSP T0339 340 :LQGHVVLAQCRV 1elqA 343 :LGHRAIVQKLEE T0339 352 :LMASVGAA 1elqA 357 :IYLRTIAD T0339 383 :RNALRLSVGRSTTRAEVDLVVQDL 1elqA 365 :PDCIRACCHYITDEEEINHLLARL Number of specific fragments extracted= 22 number of extra gaps= 0 total=815 Number of alignments=35 # 1elqA read from 1elqA/merged-good-all-a2m # found chain 1elqA in template set T0339 3 :KVYMDYNATTPLEPEVIQAMTKAMWEAWGNPSSPYSAGRKAKDIINAARESLAKMIGGKPQDIIFTSGGTESNNLVIHSV 1elqA 20 :KTYFNFGGQGILPTVALEAITAMYGYLQENGPFSIAANQHIQQLIAQLRQALAETFNVDPNTITITDNVTTGCDIVLWGL T0339 103 :VKGAKPHFITSSVEHDSIRLPLEHLVEEQVAAVTFVPVSKVSGQTE 1elqA 100 :DWHQGDEILLTDCEHPGIIAIVQAIAARFGITYRFFPVAATLNQGD T0339 149 :VDDILAAVRPTTRLVTIMLANNETGIVMPVPEISQRIKA 1elqA 147 :AAVLANHLGPKTRLVILSHLLWNTGQVLPLAEIMAVCRR T0339 194 :AAGLPPILVHTDAAQALGKQRVDVEDLGVDFLTIVGHKFYGPR 1elqA 186 :HQGNYPVRVLVDGAQSAGSLPLDFSRLEVDYYAFTGHKWFAGP T0339 237 :IGALYIRGLGEFTPLYPMLFGGGQ 1elqA 231 :VGGLYIHGDCLGEINPTYVGWRSI T0339 261 :ERNFRPGTENTPMIAGLGKAAELVT 1elqA 269 :GKRFEVATSAYPQYAGLLAALQLHQ T0339 286 :QNCEAYEAHMRDVRDYLEERLEAEFGQKRIH 1elqA 296 :GTAEERYQAICQRSEFLWRGLNQLPHVHCLA T0339 323 :GTQRLPNTCNFSIRG 1elqA 327 :TSAPQAGLVSFTVDS T0339 338 :PRLQGHVVLAQCRVLMASV 1elqA 343 :LGHRAIVQKLEEQRIYLRT T0339 380 :DVARNALRLSVGRSTTRAEVDLVVQDL 1elqA 362 :IADPDCIRACCHYITDEEEINHLLARL Number of specific fragments extracted= 10 number of extra gaps= 0 total=825 Number of alignments=36 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1gc0A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0339 read from 1gc0A/merged-good-all-a2m # 1gc0A read from 1gc0A/merged-good-all-a2m # found chain 1gc0A in training set Warning: unaligning (T0339)A43 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1gc0A)S63 Warning: unaligning (T0339)H230 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1gc0A)Y212 Warning: unaligning (T0339)F232 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1gc0A)Y212 Warning: unaligning (T0339)R326 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1gc0A)Q309 T0339 44 :KDIINAARESLAKMIGGKP 1gc0A 64 :NPTLNLLEARMASLEGGEA T0339 65 :IIFTSGGTESNNLVIHSVV 1gc0A 83 :GLALASGMGAITSTLWTLL T0339 105 :GAKPHFITSSVEHDSIRLPLEHLVEEQVAAVTFVPVS 1gc0A 102 :RPGDEVLLGNTLYGCTFAFLHHGIGEFGVKLRHVDMA T0339 148 :EVDDILAAVRPTTRLVTIMLANNETGIVMPVPEISQRIKALN 1gc0A 139 :DLQALEAAMTPATRVIYFESPANPNMHMADIAGVAKIARKHG T0339 200 :ILVHTDAAQALGKQRVDV 1gc0A 181 :ATVVVDNTYCTPYLQRPL T0339 219 :DLGVDFLTIVG 1gc0A 199 :ELGADLVVHSA T0339 233 :Y 1gc0A 213 :L T0339 234 :GP 1gc0A 215 :GH T0339 236 :RI 1gc0A 218 :DI T0339 238 :GALYIRGLGEFTPL 1gc0A 221 :AGIVVGSQALVDRI T0339 252 :YPMLFGGGQERNFRPGTENTPMIAGLGKAAELVTQ 1gc0A 237 :QGLKDMTGAVLSPHDAALLMRGIKTLNLRMDRHCA T0339 294 :HMRDVRDYLEE 1gc0A 272 :NAQVLAEFLAR T0339 327 :LPNTCNFSIRGPRLQGHVVLAQCRV 1gc0A 310 :PGGMIAFELKGGIGAGRRFMNALQL T0339 352 :LMASVG 1gc0A 337 :RAVSLG T0339 358 :AACHSDHGDQPSPVLLSYGVPFDVARNALRLSVGR 1gc0A 346 :SLAQHPASMTHSSYTPEERAHYGISEGLVRLSVGL T0339 397 :AEVDLVVQDLKQAVAQL 1gc0A 381 :EDIDDLLADVQQALKAS Number of specific fragments extracted= 16 number of extra gaps= 0 total=841 Number of alignments=37 # 1gc0A read from 1gc0A/merged-good-all-a2m # found chain 1gc0A in training set Warning: unaligning (T0339)A43 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1gc0A)S63 Warning: unaligning (T0339)H230 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1gc0A)Y212 Warning: unaligning (T0339)R326 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1gc0A)Q309 T0339 44 :KDIINAARESLAKMIGG 1gc0A 64 :NPTLNLLEARMASLEGG T0339 63 :QDIIFTSGGTESNNLVIHSV 1gc0A 81 :EAGLALASGMGAITSTLWTL T0339 91 :TSKGH 1gc0A 101 :LRPGD T0339 109 :HFITSSVEHDSIRLPLEHLVEEQVAAVTFVPVS 1gc0A 106 :EVLLGNTLYGCTFAFLHHGIGEFGVKLRHVDMA T0339 148 :EVDDILAAVRPTTRLVTIMLANNETGIVMPVPEISQ 1gc0A 139 :DLQALEAAMTPATRVIYFESPANPNMHMADIAGVAK T0339 188 :LNQER 1gc0A 175 :IARKH T0339 199 :PILVHTDAAQALGKQRVDVED 1gc0A 180 :GATVVVDNTYCTPYLQRPLEL T0339 221 :GVDFLTIVG 1gc0A 201 :GADLVVHSA T0339 232 :FYGPR 1gc0A 213 :LSGHG T0339 237 :IGALYIR 1gc0A 221 :AGIVVGS T0339 244 :GLGEFT 1gc0A 229 :ALVDRI T0339 250 :PLYPMLFG 1gc0A 237 :QGLKDMTG T0339 267 :GTENTPMIAG 1gc0A 245 :AVLSPHDAAL T0339 280 :AAELVTQ 1gc0A 255 :LMRGIKT T0339 288 :CEAYEAHMRDVRDYLEERLEA 1gc0A 262 :LNLRMDRHCANAQVLAEFLAR T0339 312 :QKRIHLNS 1gc0A 283 :QPQVELIH T0339 327 :LPNTCNFSIRGPRLQGHVVLAQCRV 1gc0A 310 :PGGMIAFELKGGIGAGRRFMNALQL T0339 352 :LMASVGAACH 1gc0A 337 :RAVSLGDAES T0339 362 :SDHGDQPSPVLLSYGVPFDVARNALRLSVGR 1gc0A 350 :HPASMTHSSYTPEERAHYGISEGLVRLSVGL T0339 394 :TTR 1gc0A 381 :EDI T0339 400 :DLVVQDLKQAVAQL 1gc0A 384 :DDLLADVQQALKAS Number of specific fragments extracted= 21 number of extra gaps= 0 total=862 Number of alignments=38 # 1gc0A read from 1gc0A/merged-good-all-a2m # found chain 1gc0A in training set Warning: unaligning (T0339)A43 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1gc0A)S63 Warning: unaligning (T0339)H230 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1gc0A)Y212 Warning: unaligning (T0339)F232 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1gc0A)Y212 Warning: unaligning (T0339)R326 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1gc0A)Q309 T0339 44 :KDIINAARESLAKMIGG 1gc0A 64 :NPTLNLLEARMASLEGG T0339 64 :DIIFTSGGTESNNLVIHSV 1gc0A 82 :AGLALASGMGAITSTLWTL T0339 104 :KGAKPHFITSSVEHDSIRLPLEHLVEEQVAAVTFVPVS 1gc0A 101 :LRPGDEVLLGNTLYGCTFAFLHHGIGEFGVKLRHVDMA T0339 148 :EVDDILAAVRPTTRLVTIMLANNETGIVMPVPEISQRIKA 1gc0A 139 :DLQALEAAMTPATRVIYFESPANPNMHMADIAGVAKIARK T0339 198 :PPILVHTDAAQALGKQRVDVE 1gc0A 179 :HGATVVVDNTYCTPYLQRPLE T0339 220 :LGVDFLTIVG 1gc0A 200 :LGADLVVHSA T0339 233 :YGPR 1gc0A 213 :LSGH T0339 237 :IGALYIRGLGEFTPL 1gc0A 221 :AGIVVGSQALVDRIR T0339 264 :FRPGTENTPMIAGLGKAA 1gc0A 242 :MTGAVLSPHDAALLMRGI T0339 286 :QNCEAYEAHMRDVRDYLEERLEAEFGQKRIHL 1gc0A 260 :KTLNLRMDRHCANAQVLAEFLARQPQVELIHY T0339 327 :LPNTCNFSIRG 1gc0A 310 :PGGMIAFELKG T0339 340 :LQGHVVLAQC 1gc0A 322 :IGAGRRFMNA T0339 350 :RVLMASVGAACHSDHG 1gc0A 344 :AESLAQHPASMTHSSY T0339 368 :PSPVLLSYGV 1gc0A 360 :TPEERAHYGI T0339 382 :ARNALRLSVGRSTTR 1gc0A 370 :SEGLVRLSVGLEDID T0339 401 :LVVQDLKQAVAQ 1gc0A 385 :DLLADVQQALKA Number of specific fragments extracted= 16 number of extra gaps= 0 total=878 Number of alignments=39 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1m6sA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0339 read from 1m6sA/merged-good-all-a2m # 1m6sA read from 1m6sA/merged-good-all-a2m # found chain 1m6sA in training set Warning: unaligning (T0339)K3 because first residue in template chain is (1m6sA)M1 Warning: unaligning (T0339)L167 because of BadResidue code BAD_PEPTIDE in next template residue (1m6sA)T137 Warning: unaligning (T0339)A168 because of BadResidue code BAD_PEPTIDE at template residue (1m6sA)T137 Warning: unaligning (T0339)H230 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1m6sA)G200 Warning: unaligning (T0339)F232 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1m6sA)G200 T0339 4 :VYMDYNATTPLEPEVIQAM 1m6sA 2 :IDLRSDTVTKPTEEMRKAM T0339 28 :EAWGNPSSPYSAG 1m6sA 21 :AQAEVGDDVYGED T0339 45 :DIINAARESLAKMIGGKP 1m6sA 34 :PTINELERLAAETFGKEA T0339 65 :IIFTSGGTESNNLVIHSVV 1m6sA 52 :ALFVPSGTMGNQVSIMAHT T0339 105 :GAKPHFITSSVEH 1m6sA 71 :QRGDEVILEADSH T0339 120 :IRL 1m6sA 84 :IFW T0339 123 :PLEHL 1m6sA 91 :AMAVL T0339 131 :QVAAVTFVPVS 1m6sA 96 :SGVMPHPVPGK T0339 144 :SGQTEVDDILAAVRP 1m6sA 107 :NGAMDPDDVRKAIRP T0339 160 :TRLVTIM 1m6sA 129 :TSLIAIE T0339 169 :NNETG 1m6sA 138 :HNRSG T0339 174 :IVMP 1m6sA 144 :RVVP T0339 178 :VPEISQRIKALN 1m6sA 151 :IKEICTIAKEHG T0339 200 :ILVHTDAAQALG 1m6sA 163 :INVHIDGARIFN T0339 214 :RVDVEDL 1m6sA 180 :GVPVKEY T0339 221 :GVDFLTIVG 1m6sA 189 :YADSVMFCL T0339 233 :Y 1m6sA 201 :L T0339 234 :GPR 1m6sA 203 :APV T0339 238 :GALYIRGLGEF 1m6sA 206 :GSVVVGDRDFI T0339 256 :FGGGQ 1m6sA 226 :LGGGM T0339 268 :TENTPMIAGLGKAAELVTQNCEAYEAHMRDVRDYLEER 1m6sA 231 :RQAGVLAAAGIIALTKMVDRLKEDHENARFLALKLKEI T0339 311 :G 1m6sA 269 :G T0339 315 :IHL 1m6sA 270 :YSV T0339 322 :PGTQRLPNTCNFSIRGPRLQGHVVLAQCRV 1m6sA 273 :NPEDVKTNMVILRTDNLKVNAHGFIEALRN T0339 352 :LMASV 1m6sA 305 :VLANA T0339 381 :VARNALRLSVGRSTTRAEVDLVVQDLKQAVAQL 1m6sA 310 :VSDTEIRLVTHKDVSRNDIEEALNIFEKLFRKF Number of specific fragments extracted= 26 number of extra gaps= 1 total=904 Number of alignments=40 # 1m6sA read from 1m6sA/merged-good-all-a2m # found chain 1m6sA in training set Warning: unaligning (T0339)K3 because first residue in template chain is (1m6sA)M1 Warning: unaligning (T0339)L167 because of BadResidue code BAD_PEPTIDE in next template residue (1m6sA)T137 Warning: unaligning (T0339)A168 because of BadResidue code BAD_PEPTIDE at template residue (1m6sA)T137 Warning: unaligning (T0339)H230 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1m6sA)G200 T0339 4 :VYMDYNATTPLEPEVIQAMT 1m6sA 2 :IDLRSDTVTKPTEEMRKAMA T0339 33 :PSSPYSAGRKAKDIINAARESLAKMIGG 1m6sA 22 :QAEVGDDVYGEDPTINELERLAAETFGK T0339 63 :QDIIFTSGGTESNNLVIHSV 1m6sA 50 :EAALFVPSGTMGNQVSIMAH T0339 91 :TSKGH 1m6sA 70 :TQRGD T0339 109 :HFITSSVEHDSIR 1m6sA 75 :EVILEADSHIFWY T0339 122 :LPLEHL 1m6sA 91 :AMAVLS T0339 132 :VAAVTFVPVS 1m6sA 97 :GVMPHPVPGK T0339 144 :SGQTEVDDILAAVRPT 1m6sA 107 :NGAMDPDDVRKAIRPR T0339 160 :TRLVTIM 1m6sA 129 :TSLIAIE T0339 169 :NNE 1m6sA 138 :HNR T0339 172 :TGIVMPVPEISQ 1m6sA 142 :GGRVVPLENIKE T0339 185 :IKALNQER 1m6sA 154 :ICTIAKEH T0339 199 :PILVHTDAAQ 1m6sA 162 :GINVHIDGAR T0339 209 :ALGKQRVDVEDL 1m6sA 175 :ASIASGVPVKEY T0339 221 :GVDFLTIVG 1m6sA 189 :YADSVMFCL T0339 232 :FYGPRIGALYIR 1m6sA 201 :LCAPVGSVVVGD T0339 244 :GLGEFTPLYPMLFGG 1m6sA 214 :DFIERARKARKMLGG T0339 266 :PGTENTPMIAGLGKAAELVTQNCEAYEAHMRDVRDYLEER 1m6sA 229 :GMRQAGVLAAAGIIALTKMVDRLKEDHENARFLALKLKEI T0339 314 :RIHLNSQ 1m6sA 269 :GYSVNPE T0339 325 :QRLPNTCNFSIRGPRLQGHVVLAQCRV 1m6sA 276 :DVKTNMVILRTDNLKVNAHGFIEALRN T0339 352 :LMASVGA 1m6sA 305 :VLANAVS T0339 383 :RNALRLSVGRSTTRAEVDLVVQDLKQAVAQL 1m6sA 312 :DTEIRLVTHKDVSRNDIEEALNIFEKLFRKF Number of specific fragments extracted= 22 number of extra gaps= 1 total=926 Number of alignments=41 # 1m6sA read from 1m6sA/merged-good-all-a2m # found chain 1m6sA in training set Warning: unaligning (T0339)K3 because first residue in template chain is (1m6sA)M1 Warning: unaligning (T0339)L167 because of BadResidue code BAD_PEPTIDE in next template residue (1m6sA)T137 Warning: unaligning (T0339)A168 because of BadResidue code BAD_PEPTIDE at template residue (1m6sA)T137 Warning: unaligning (T0339)H230 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1m6sA)G200 Warning: unaligning (T0339)F232 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1m6sA)G200 T0339 4 :VYMDYNATTPLEPEVIQAMT 1m6sA 2 :IDLRSDTVTKPTEEMRKAMA T0339 29 :AWGNPSSPYSAG 1m6sA 22 :QAEVGDDVYGED T0339 45 :DIINAARESLAKMIGG 1m6sA 34 :PTINELERLAAETFGK T0339 64 :DIIFTSGGTESNNLVIHSV 1m6sA 51 :AALFVPSGTMGNQVSIMAH T0339 104 :KGAKPHFITSSVEHDSIR 1m6sA 70 :TQRGDEVILEADSHIFWY T0339 123 :PLEHL 1m6sA 91 :AMAVL T0339 131 :QVAAVTFVPVS 1m6sA 96 :SGVMPHPVPGK T0339 144 :SGQTEVDDILAAV 1m6sA 107 :NGAMDPDDVRKAI T0339 157 :RPT 1m6sA 123 :NIH T0339 160 :TRLVTIM 1m6sA 129 :TSLIAIE T0339 169 :NNET 1m6sA 138 :HNRS T0339 173 :GIVMP 1m6sA 143 :GRVVP T0339 178 :VPEISQRIKA 1m6sA 151 :IKEICTIAKE T0339 198 :PPILVHTDAAQ 1m6sA 161 :HGINVHIDGAR T0339 209 :ALG 1m6sA 177 :IAS T0339 214 :RVDVEDL 1m6sA 180 :GVPVKEY T0339 221 :GVDFLTIVG 1m6sA 189 :YADSVMFCL T0339 233 :YGPR 1m6sA 201 :LCAP T0339 237 :IGALYIRGLGEFTPLYPMLFGGG 1m6sA 206 :GSVVVGDRDFIERARKARKMLGG T0339 266 :PGTENTPMIAGLGKAAELVTQNCEAYEAHMRDVRDYLEER 1m6sA 229 :GMRQAGVLAAAGIIALTKMVDRLKEDHENARFLALKLKEI T0339 311 :G 1m6sA 269 :G T0339 315 :IH 1m6sA 270 :YS T0339 321 :FPGTQRLPNTCNFSIRG 1m6sA 272 :VNPEDVKTNMVILRTDN T0339 338 :PRLQGHVVLAQCRVLMASVG 1m6sA 291 :VNAHGFIEALRNSGVLANAV T0339 382 :ARNALRLSVGRSTTRAEVDLVVQDLKQAVAQL 1m6sA 311 :SDTEIRLVTHKDVSRNDIEEALNIFEKLFRKF Number of specific fragments extracted= 25 number of extra gaps= 1 total=951 Number of alignments=42 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1svvA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1svvA expands to /projects/compbio/data/pdb/1svv.pdb.gz 1svvA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # T0339 read from 1svvA/merged-good-all-a2m # 1svvA read from 1svvA/merged-good-all-a2m # adding 1svvA to template set # found chain 1svvA in template set Warning: unaligning (T0339)K3 because first residue in template chain is (1svvA)P15 Warning: unaligning (T0339)I120 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1svvA)H104 Warning: unaligning (T0339)R121 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1svvA)H104 Warning: unaligning (T0339)A168 because of BadResidue code BAD_PEPTIDE in next template residue (1svvA)T154 Warning: unaligning (T0339)N169 because of BadResidue code BAD_PEPTIDE at template residue (1svvA)T154 T0339 4 :VYMDYNATTPLEPEVIQAMTK 1svvA 16 :YSFVNDYSVGMHPKILDLMAR T0339 29 :AWGNPSSPYSAGR 1svvA 37 :DNMTQHAGYGQDS T0339 46 :IINAARESLAKMIGG 1svvA 50 :HCAKAARLIGELLER T0339 62 :PQ 1svvA 65 :PD T0339 64 :DIIFTSGGTESNNLVIHSVV 1svvA 68 :DVHFISGGTQTNLIACSLAL T0339 105 :GAKPHFITSSVEHDS 1svvA 88 :RPWEAVIATQLGHIS T0339 126 :H 1svvA 108 :A T0339 128 :VEEQVAAVTFVPVS 1svvA 109 :IEATGHKVVTAPCP T0339 144 :SGQTEVDDILAAV 1svvA 123 :DGKLRVADIESAL T0339 157 :RPT 1svvA 140 :SEH T0339 160 :TRLVTI 1svvA 146 :PKLVYI T0339 167 :L 1svvA 152 :S T0339 170 :NETGIVMP 1svvA 155 :TEVGTQYT T0339 178 :VPEISQRIKALN 1svvA 166 :LEDISASCKEHG T0339 200 :ILVHTDA 1svvA 178 :LYLFLDG T0339 207 :AQALGKQRVDVEDL 1svvA 190 :ALSSPVNDLTLADI T0339 222 :VDFLTIVGHKFYGPRIGALYIRGLGEFTPLYPMLFGGGQERNF 1svvA 207 :TDMFYIGATKAGGMFGEALIILNDALKPNARHLIKQRGALMAK T0339 267 :G 1svvA 250 :G T0339 275 :AGLGKAAELVTQ 1svvA 251 :WLLGIQFEVLMK T0339 287 :NC 1svvA 264 :NL T0339 289 :EAYEAHMRDVRDYLEERLEAE 1svvA 267 :FELGAHSNKMAAILKAGLEAC T0339 311 :G 1svvA 288 :G T0339 315 :IHLNSQF 1svvA 289 :IRLAWPS T0339 327 :LPNTCNFSIRG 1svvA 296 :ASNQLFPILEN T0339 340 :LQGHVV 1svvA 307 :TMIAEL T0339 377 :VPFD 1svvA 324 :LKDG T0339 383 :RNALRLSVGRSTTRAEVDLVVQDLKQ 1svvA 328 :TCIMRLCTSWATEEKECHRFVEVLKR Number of specific fragments extracted= 27 number of extra gaps= 2 total=978 Number of alignments=43 # 1svvA read from 1svvA/merged-good-all-a2m # found chain 1svvA in template set Warning: unaligning (T0339)K3 because first residue in template chain is (1svvA)P15 Warning: unaligning (T0339)I120 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1svvA)H104 Warning: unaligning (T0339)R121 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1svvA)H104 Warning: unaligning (T0339)L167 because of BadResidue code BAD_PEPTIDE in next template residue (1svvA)T154 Warning: unaligning (T0339)A168 because of BadResidue code BAD_PEPTIDE at template residue (1svvA)T154 T0339 4 :VYMDYNATTPLEPEVIQ 1svvA 16 :YSFVNDYSVGMHPKILD T0339 25 :AMWEAWGNPSSPYSAGR 1svvA 33 :LMARDNMTQHAGYGQDS T0339 46 :IINAARESLAKMIGGKPQDIIFTSGGTESNNLVIHSV 1svvA 50 :HCAKAARLIGELLERPDADVHFISGGTQTNLIACSLA T0339 91 :TSKGH 1svvA 87 :LRPWE T0339 109 :HFITSSVEHDS 1svvA 92 :AVIATQLGHIS T0339 122 :LPLEHL 1svvA 107 :GAIEAT T0339 132 :VAAVTFVPVS 1svvA 113 :GHKVVTAPCP T0339 144 :SGQTEVDDILAAVR 1svvA 123 :DGKLRVADIESALH T0339 158 :PT 1svvA 141 :EH T0339 160 :TRLVTIM 1svvA 146 :PKLVYIS T0339 170 :NETGIVMPVPEISQ 1svvA 155 :TEVGTQYTKQELED T0339 185 :IKALNQER 1svvA 169 :ISASCKEH T0339 199 :PILVHTDAAQ 1svvA 177 :GLYLFLDGAR T0339 211 :GKQR 1svvA 189 :SALS T0339 215 :VDVEDL 1svvA 198 :LTLADI T0339 222 :VDFLTIVGHKFYGPR 1svvA 207 :TDMFYIGATKAGGMF T0339 237 :IGALYIR 1svvA 223 :EALIILN T0339 244 :GLGEFTPLYPMLFGG 1svvA 231 :ALKPNARHLIKQRGA T0339 266 :PGTENTP 1svvA 246 :LMAKGWL T0339 277 :LGKAAELVTQ 1svvA 253 :LGIQFEVLMK T0339 287 :NCEAYEAHMRDVRDYLEERLEAE 1svvA 265 :LFFELGAHSNKMAAILKAGLEAC T0339 314 :RIHLNSQFP 1svvA 288 :GIRLAWPSA T0339 328 :PNTCNFSIR 1svvA 297 :SNQLFPILE T0339 343 :HVVLAQCRV 1svvA 306 :NTMIAELNN T0339 352 :LMASVGAACHSD 1svvA 316 :FDMYTVEPLKDG T0339 383 :RNALRLSVGRSTTRAEVDLVVQDLKQ 1svvA 328 :TCIMRLCTSWATEEKECHRFVEVLKR Number of specific fragments extracted= 26 number of extra gaps= 2 total=1004 Number of alignments=44 # 1svvA read from 1svvA/merged-good-all-a2m # found chain 1svvA in template set Warning: unaligning (T0339)K3 because first residue in template chain is (1svvA)P15 Warning: unaligning (T0339)I120 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1svvA)H104 Warning: unaligning (T0339)R121 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1svvA)H104 Warning: unaligning (T0339)A168 because of BadResidue code BAD_PEPTIDE in next template residue (1svvA)T154 Warning: unaligning (T0339)N169 because of BadResidue code BAD_PEPTIDE at template residue (1svvA)T154 T0339 4 :VYMDYNATTPLEPEVIQAMTKA 1svvA 16 :YSFVNDYSVGMHPKILDLMARD T0339 30 :WGNPSSPYSAG 1svvA 38 :NMTQHAGYGQD T0339 45 :DIINAARESLAKMIGG 1svvA 49 :SHCAKAARLIGELLER T0339 62 :PQDIIFTSGGTESNNLVIHSV 1svvA 66 :DADVHFISGGTQTNLIACSLA T0339 104 :KGAKPHFITSSVEHDS 1svvA 87 :LRPWEAVIATQLGHIS T0339 126 :HL 1svvA 108 :AI T0339 129 :EEQVAAVTFVPV 1svvA 110 :EATGHKVVTAPC T0339 143 :VSGQTEVDDILAAV 1svvA 122 :PDGKLRVADIESAL T0339 157 :RPT 1svvA 140 :SEH T0339 160 :TRLVT 1svvA 146 :PKLVY T0339 166 :ML 1svvA 151 :IS T0339 170 :NETGIVMP 1svvA 155 :TEVGTQYT T0339 178 :VPEISQRIKA 1svvA 166 :LEDISASCKE T0339 198 :PPILVHTDAAQ 1svvA 176 :HGLYLFLDGAR T0339 209 :ALGKQRVDVEDL 1svvA 192 :SSPVNDLTLADI T0339 222 :VDFLTIVGHKFYGPR 1svvA 207 :TDMFYIGATKAGGMF T0339 237 :IGALYIRGLGEFTPLYPMLFGGGQERNF 1svvA 223 :EALIILNDALKPNARHLIKQRGALMAKG T0339 275 :AGLGKAAELVT 1svvA 251 :WLLGIQFEVLM T0339 286 :QNCEAYEAHMRDVRDYLEERLEAE 1svvA 264 :NLFFELGAHSNKMAAILKAGLEAC T0339 311 :GQKRIH 1svvA 288 :GIRLAW T0339 325 :QRLPNTCNFSIR 1svvA 294 :PSASNQLFPILE T0339 341 :QGHVVLAQ 1svvA 306 :NTMIAELN T0339 350 :RVLMASVG 1svvA 314 :NDFDMYTV T0339 377 :VPFDVARNALRLSVGRSTTRAEVDLVVQDLKQ 1svvA 322 :EPLKDGTCIMRLCTSWATEEKECHRFVEVLKR Number of specific fragments extracted= 24 number of extra gaps= 2 total=1028 Number of alignments=45 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1eluA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0339 read from 1eluA/merged-good-all-a2m # 1eluA read from 1eluA/merged-good-all-a2m # found chain 1eluA in training set T0339 3 :KVYMDYNATTPLEPEVIQAMTKAMWEAWGN 1eluA 20 :KTYFNFGGQGILPTVALEAITAMYGYLQEN T0339 33 :PSS 1eluA 51 :PFS T0339 37 :YSAGRKAKDIINAARESLAKMIGGKPQDIIFTSGGTESNNLVIHSV 1eluA 54 :IAANQHIQQLIAQLRQALAETFNVDPNTITITDNVTTGCDIVLWGL T0339 105 :GAKPHFITSSVEHDSIRLPLEHLVEEQVAAVTFVPVSKVSGQTE 1eluA 102 :HQGDEILLTDCEHPGIIAIVQAIAARFGITYRFFPVAATLNQGD T0339 149 :VDDILAAVRPTTRLVTIMLANNETGIVMPVPEISQRIKALN 1eluA 147 :AAVLANHLGPKTRLVILSHLLWNTGQVLPLAEIMAVCRRHQ T0339 196 :GLPPILVHTDAAQALGKQRVDVEDLGVDFLTIVGHKFY 1eluA 188 :GNYPVRVLVDGAQSAGSLPLDFSRLEVDYYAFTGHKWF T0339 234 :GP 1eluA 227 :GP T0339 236 :RIGALYIRG 1eluA 230 :GVGGLYIHG T0339 246 :GEFTPLYPMLFGGGQ 1eluA 239 :DCLGEINPTYVGWRS T0339 261 :ERNFRPGTENTPMIAGLGKAAELVTQ 1eluA 269 :GKRFEVATSAYPQYAGLLAALQLHQR T0339 287 :NCEAYEAHMRDVRDYLEERLEAEFG 1eluA 297 :TAEERYQAICQRSEFLWRGLNQLPH T0339 315 :IHLNSQ 1eluA 322 :VHCLAT T0339 323 :GTQRLP 1eluA 328 :SAPQAG T0339 330 :TCNFSIRGP 1eluA 334 :LVSFTVDSP T0339 340 :LQGHVVLAQCRV 1eluA 343 :LGHRAIVQKLEE T0339 352 :LMASV 1eluA 357 :IYLRT T0339 377 :VPF 1eluA 362 :IAD T0339 383 :RNALRLSVGRSTTRAEVDLVVQDL 1eluA 365 :PDCIRACCHYITDEEEINHLLARL Number of specific fragments extracted= 18 number of extra gaps= 0 total=1046 Number of alignments=46 # 1eluA read from 1eluA/merged-good-all-a2m # found chain 1eluA in training set T0339 2 :RKVYMDYNATTPLEPEVIQAMTKAMWEAWGNPSSPYSAGRKAKDIINAARESLAKMIGGKPQDIIFTSGGTESNNLVIHSV 1eluA 19 :NKTYFNFGGQGILPTVALEAITAMYGYLQENGPFSIAANQHIQQLIAQLRQALAETFNVDPNTITITDNVTTGCDIVLWGL T0339 90 :QTSKGH 1eluA 100 :DWHQGD T0339 109 :HFITSSVEHDSIRLPLEHLVEEQVAAVTFVPVSKV 1eluA 106 :EILLTDCEHPGIIAIVQAIAARFGITYRFFPVAAT T0339 144 :SGQ 1eluA 142 :NQG T0339 148 :E 1eluA 145 :D T0339 149 :VDDILAAVRPTTRLVTIMLANNETGIVMPVPEISQ 1eluA 147 :AAVLANHLGPKTRLVILSHLLWNTGQVLPLAEIMA T0339 188 :LNQER 1eluA 182 :VCRRH T0339 196 :GLP 1eluA 187 :QGN T0339 199 :PILVHTDAAQALGKQRVDVEDLGVDFLTIVGHK 1eluA 191 :PVRVLVDGAQSAGSLPLDFSRLEVDYYAFTGHK T0339 232 :FY 1eluA 225 :FA T0339 234 :GPRIGALYIR 1eluA 228 :PAGVGGLYIH T0339 244 :GLGEFTP 1eluA 239 :DCLGEIN T0339 258 :GG 1eluA 251 :WR T0339 260 :QERNFRPGTENTPMIAGLGKAAELVTQ 1eluA 268 :GGKRFEVATSAYPQYAGLLAALQLHQR T0339 287 :NCEAYEAHMRDVRDYLEERLEA 1eluA 297 :TAEERYQAICQRSEFLWRGLNQ T0339 312 :QKRIHLNSQFPGT 1eluA 319 :LPHVHCLATSAPQ T0339 328 :PNTCNFSIR 1eluA 332 :AGLVSFTVD T0339 337 :G 1eluA 342 :P T0339 340 :LQGHVVLAQCRV 1eluA 343 :LGHRAIVQKLEE T0339 352 :LMASVGAA 1eluA 357 :IYLRTIAD T0339 383 :RNALRLSVGRSTTRAEVDLVVQDL 1eluA 365 :PDCIRACCHYITDEEEINHLLARL Number of specific fragments extracted= 21 number of extra gaps= 0 total=1067 Number of alignments=47 # 1eluA read from 1eluA/merged-good-all-a2m # found chain 1eluA in training set T0339 3 :KVYMDYNATTPLEPEVIQAMTKAMWEAWGNPSSPYSAGRKAKDIINAARESLAKMIGGKPQDIIFTSGGTESNNLVIHSV 1eluA 20 :KTYFNFGGQGILPTVALEAITAMYGYLQENGPFSIAANQHIQQLIAQLRQALAETFNVDPNTITITDNVTTGCDIVLWGL T0339 103 :VKGAKPHFITSSVEHDSIRLPLEHLVEEQVAAVTFVPVSKVSGQTE 1eluA 100 :DWHQGDEILLTDCEHPGIIAIVQAIAARFGITYRFFPVAATLNQGD T0339 149 :VDDILAAVRPTTRLVTIMLANNETGIVMPVPEISQRIKA 1eluA 147 :AAVLANHLGPKTRLVILSHLLWNTGQVLPLAEIMAVCRR T0339 197 :LPPILVHTDAAQALGKQRVDVEDLGVDFLTIVGHKFYGPR 1eluA 189 :NYPVRVLVDGAQSAGSLPLDFSRLEVDYYAFTGHKWFAGP T0339 237 :IGALYIRGLGEFTPLYPMLFGGGQ 1eluA 231 :VGGLYIHGDCLGEINPTYVGWRSI T0339 261 :ERNFRPGTENTPMIAGLGKAAELVT 1eluA 269 :GKRFEVATSAYPQYAGLLAALQLHQ T0339 286 :QNCEAYEAHMRDVRDYLEERLEAEFGQKRIH 1eluA 296 :GTAEERYQAICQRSEFLWRGLNQLPHVHCLA T0339 323 :GTQRLPNTCNFSIRG 1eluA 327 :TSAPQAGLVSFTVDS T0339 338 :PRLQGHVVLAQCRVLMASV 1eluA 343 :LGHRAIVQKLEEQRIYLRT T0339 380 :DVARNALRLSVGRSTTRAEVDLVVQDL 1eluA 362 :IADPDCIRACCHYITDEEEINHLLARL Number of specific fragments extracted= 10 number of extra gaps= 0 total=1077 Number of alignments=48 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1gd9A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1gd9A expands to /projects/compbio/data/pdb/1gd9.pdb.gz 1gd9A:# T0339 read from 1gd9A/merged-good-all-a2m # 1gd9A read from 1gd9A/merged-good-all-a2m # adding 1gd9A to template set # found chain 1gd9A in template set Warning: unaligning (T0339)E1 because of BadResidue code BAD_PEPTIDE in next template residue (1gd9A)D27 Warning: unaligning (T0339)R2 because of BadResidue code BAD_PEPTIDE at template residue (1gd9A)D27 T0339 3 :KVYMDYNATT 1gd9A 28 :VISLGIGEPD T0339 13 :PLEPEVIQAMTKAM 1gd9A 39 :DTPQHIKEYAKEAL T0339 28 :EAWGNPSSPYSA 1gd9A 53 :DKGLTHYGPNIG T0339 43 :AKDIINAARESLAKMIGG 1gd9A 65 :LLELREAIAEKLKKQNGI T0339 61 :KPQ 1gd9A 85 :DPK T0339 64 :DIIFTSGGTESNNLVIHSVV 1gd9A 89 :EIMVLLGANQAFLMGLSAFL T0339 105 :GAKPHFITSSVEHDSIRLPLEHL 1gd9A 109 :KDGEEVLIPTPAFVSYAPAVILA T0339 132 :VAAVTFVPVSKVSG 1gd9A 132 :GGKPVEVPTYEEDE T0339 146 :QTEVDDILAAVRPTTRLVTIMLANNETGIVMP 1gd9A 147 :RLNVDELKKYVTDKTRALIINSPCNPTGAVLT T0339 178 :VPEISQRIKALN 1gd9A 182 :LEEIADFVVEHD T0339 200 :ILVHTDAAQALGKQ 1gd9A 194 :LIVISDEVYEHFIY T0339 215 :VDVEDLG 1gd9A 213 :YSIASLD T0339 223 :DFLTIVGHKFYGP 1gd9A 225 :TITVNGFSKTFAM T0339 236 :R 1gd9A 239 :G T0339 237 :IGALYIRG 1gd9A 242 :LGFVAAPS T0339 246 :GEFTPLYPMLFGG 1gd9A 250 :WIIERMVKFQMYN T0339 266 :PGTENTPMIAGLGKAA 1gd9A 263 :ATCPVTFIQYAAAKAL T0339 282 :ELVTQNCEAYEAHMRDVRDYLEERLEAE 1gd9A 281 :ERSWKAVEEMRKEYDRRRKLVWKRLNEM T0339 311 :G 1gd9A 309 :G T0339 315 :IHLNSQ 1gd9A 310 :LPTVKP T0339 326 :RLPNTCNFSIRGPRLQGHVVLAQCRV 1gd9A 316 :KGAFYIFPRIRDTGLTSKKFSELMLK T0339 352 :LMASVGAACH 1gd9A 345 :VAVVPGSAFG T0339 380 :DVARNALRLSVGR 1gd9A 355 :KAGEGYVRISYAT T0339 395 :TRAEVDLVVQDLKQAVAQ 1gd9A 368 :AYEKLEEAMDRMERVLKE Number of specific fragments extracted= 24 number of extra gaps= 1 total=1101 Number of alignments=49 # 1gd9A read from 1gd9A/merged-good-all-a2m # found chain 1gd9A in template set Warning: unaligning (T0339)E1 because of BadResidue code BAD_PEPTIDE in next template residue (1gd9A)D27 Warning: unaligning (T0339)R2 because of BadResidue code BAD_PEPTIDE at template residue (1gd9A)D27 T0339 3 :KVYMDYNATTP 1gd9A 28 :VISLGIGEPDF T0339 14 :LEPEVIQAMTKAMWE 1gd9A 40 :TPQHIKEYAKEALDK T0339 33 :PSSPYSAGRKAKDIINAARESLAKMIG 1gd9A 55 :GLTHYGPNIGLLELREAIAEKLKKQNG T0339 60 :GKPQ 1gd9A 84 :ADPK T0339 64 :DIIFTSGGTESNNLVIHSV 1gd9A 89 :EIMVLLGANQAFLMGLSAF T0339 91 :TSKGH 1gd9A 108 :LKDGE T0339 109 :HFITSSVEHDSIRLPLEHL 1gd9A 113 :EVLIPTPAFVSYAPAVILA T0339 132 :VAAVTFVPVSKV 1gd9A 132 :GGKPVEVPTYEE T0339 144 :SGQTEVDDILAAVRPTTRLVTIMLANNETGIVMPVPEISQ 1gd9A 145 :EFRLNVDELKKYVTDKTRALIINSPCNPTGAVLTKKDLEE T0339 185 :IKALNQER 1gd9A 185 :IADFVVEH T0339 199 :PILVHTDAAQALGKQR 1gd9A 193 :DLIVISDEVYEHFIYD T0339 215 :VD 1gd9A 212 :HY T0339 217 :VEDL 1gd9A 215 :IASL T0339 221 :GV 1gd9A 220 :GM T0339 223 :DFLTIVGHK 1gd9A 225 :TITVNGFSK T0339 232 :FY 1gd9A 235 :FA T0339 234 :GPRIGALYIR 1gd9A 239 :GWRLGFVAAP T0339 244 :GLGEFTPLYPMLF 1gd9A 250 :WIIERMVKFQMYN T0339 266 :PGTENTPMIAGLGKAAE 1gd9A 263 :ATCPVTFIQYAAAKALK T0339 283 :LVTQNCEAYEAHMRDVRDYLEERLEAE 1gd9A 282 :RSWKAVEEMRKEYDRRRKLVWKRLNEM T0339 314 :RIHLNSQFP 1gd9A 309 :GLPTVKPKG T0339 328 :PNTCNFSIRGPRLQGHVVLAQCRV 1gd9A 318 :AFYIFPRIRDTGLTSKKFSELMLK T0339 352 :LMASVGAACH 1gd9A 345 :VAVVPGSAFG T0339 380 :DVARNALRLS 1gd9A 355 :KAGEGYVRIS T0339 392 :RSTTRAEVDLVVQDLKQAVAQL 1gd9A 365 :YATAYEKLEEAMDRMERVLKER Number of specific fragments extracted= 25 number of extra gaps= 1 total=1126 Number of alignments=50 # 1gd9A read from 1gd9A/merged-good-all-a2m # found chain 1gd9A in template set Warning: unaligning (T0339)R2 because of BadResidue code BAD_PEPTIDE at template residue (1gd9A)D27 T0339 3 :KVYMDYNATT 1gd9A 28 :VISLGIGEPD T0339 13 :PLEPEVIQAMTKAMWEAWGNPS 1gd9A 39 :DTPQHIKEYAKEALDKGLTHYG T0339 35 :SPY 1gd9A 62 :NIG T0339 43 :AKDIINAARESLAKMIGG 1gd9A 65 :LLELREAIAEKLKKQNGI T0339 61 :KPQD 1gd9A 85 :DPKT T0339 65 :IIFTSGGTESNNLVIHSV 1gd9A 90 :IMVLLGANQAFLMGLSAF T0339 104 :KGAKPHFITSSVEHDSIRLPLEHL 1gd9A 108 :LKDGEEVLIPTPAFVSYAPAVILA T0339 132 :VAAVTFVPVS 1gd9A 132 :GGKPVEVPTY T0339 142 :KVSGQTEVDDILAAVRPTTRLVTIMLANNETGIVMP 1gd9A 143 :EDEFRLNVDELKKYVTDKTRALIINSPCNPTGAVLT T0339 178 :VPEISQRIKA 1gd9A 182 :LEEIADFVVE T0339 198 :PPILVHTDAAQ 1gd9A 192 :HDLIVISDEVY T0339 209 :ALGKQRVD 1gd9A 204 :HFIYDDAR T0339 217 :VEDLGV 1gd9A 216 :ASLDGM T0339 223 :DFLTIVGHKFYGPR 1gd9A 225 :TITVNGFSKTFAMT T0339 237 :IGALYIRGLGEFTPLYPMLFG 1gd9A 242 :LGFVAAPSWIIERMVKFQMYN T0339 266 :PGTENTPMIAGLGKAAELVT 1gd9A 263 :ATCPVTFIQYAAAKALKDER T0339 286 :QNCEAYEAHMRDVRDYLEERLEAEFGQKRIH 1gd9A 285 :KAVEEMRKEYDRRRKLVWKRLNEMGLPTVKP T0339 326 :RLPNTCNFSIR 1gd9A 316 :KGAFYIFPRIR T0339 337 :GPRLQGHVVLAQ 1gd9A 329 :GLTSKKFSELML T0339 349 :CRVLMASVGAACH 1gd9A 342 :EARVAVVPGSAFG T0339 380 :DVARNALRLSVG 1gd9A 355 :KAGEGYVRISYA T0339 394 :TTRAEVDLVVQDLKQAVAQ 1gd9A 367 :TAYEKLEEAMDRMERVLKE Number of specific fragments extracted= 22 number of extra gaps= 1 total=1148 Number of alignments=51 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1eluB/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1eluB expands to /projects/compbio/data/pdb/1elu.pdb.gz 1eluB:# T0339 read from 1eluB/merged-good-all-a2m # 1eluB read from 1eluB/merged-good-all-a2m # adding 1eluB to template set # found chain 1eluB in template set T0339 2 :RKVYMDYNATTPLEPEVIQAMTKAMWEAWGN 1eluB 19 :NKTYFNFGGQGILPTVALEAITAMYGYLQEN T0339 33 :PSS 1eluB 51 :PFS T0339 37 :YSAGRKAKDIINAARESLAKMIGGKPQDIIFTSGGTESNNLVIHSV 1eluB 54 :IAANQHIQQLIAQLRQALAETFNVDPNTITITDNVTTGCDIVLWGL T0339 90 :Q 1eluB 101 :W T0339 105 :GAKPHFITSSVEHDSIRLPLEHLVEEQVAAVTFVPVSKVSGQTE 1eluB 102 :HQGDEILLTDCEHPGIIAIVQAIAARFGITYRFFPVAATLNQGD T0339 149 :VDDILAAVRPTTRLVTIMLANNETGIVMPVPEISQRIKALN 1eluB 147 :AAVLANHLGPKTRLVILSHLLWNTGQVLPLAEIMAVCRRHQ T0339 196 :GLPPILVHTDAAQALGKQRVDVEDLGVDFLTIVGHKFY 1eluB 188 :GNYPVRVLVDGAQSAGSLPLDFSRLEVDYYAFTGHKWF T0339 234 :GP 1eluB 227 :GP T0339 236 :RIGALYIRG 1eluB 230 :GVGGLYIHG T0339 246 :GEFTPLYPMLFGGGQ 1eluB 239 :DCLGEINPTYVGWRS T0339 261 :ERNFRPGTENTPMIAGLGKAAELVTQ 1eluB 269 :GKRFEVATSAYPQYAGLLAALQLHQR T0339 287 :NCEAYEAHMRDVRDYLEERLEAEFG 1eluB 297 :TAEERYQAICQRSEFLWRGLNQLPH T0339 315 :IHLNSQ 1eluB 322 :VHCLAT T0339 323 :GTQRLP 1eluB 328 :SAPQAG T0339 330 :TCNFSIRGP 1eluB 334 :LVSFTVDSP T0339 340 :LQGHVVLAQCRV 1eluB 343 :LGHRAIVQKLEE T0339 352 :LMASV 1eluB 357 :IYLRT T0339 377 :VPF 1eluB 362 :IAD T0339 383 :RNALRLSVGRSTTRAEVDLVVQDL 1eluB 365 :PDCIRACCHYITDEEEINHLLARL Number of specific fragments extracted= 19 number of extra gaps= 0 total=1167 Number of alignments=52 # 1eluB read from 1eluB/merged-good-all-a2m # found chain 1eluB in template set T0339 2 :RKVYMDYNATTPLEPEVIQAMTKAMWEAWGNPSSPYSAGRKAKDIINAARESLAKMIGGKPQDIIFTSGGTESNNLVIHSV 1eluB 19 :NKTYFNFGGQGILPTVALEAITAMYGYLQENGPFSIAANQHIQQLIAQLRQALAETFNVDPNTITITDNVTTGCDIVLWGL T0339 90 :QTSKGH 1eluB 100 :DWHQGD T0339 109 :HFITSSVEHDSIRLPLEHLVEEQVAAVTFVPVSKV 1eluB 106 :EILLTDCEHPGIIAIVQAIAARFGITYRFFPVAAT T0339 144 :SGQ 1eluB 142 :NQG T0339 148 :E 1eluB 145 :D T0339 149 :VDDILAAVRPTTRLVTIMLANNETGIVMPVPEISQ 1eluB 147 :AAVLANHLGPKTRLVILSHLLWNTGQVLPLAEIMA T0339 188 :LNQER 1eluB 182 :VCRRH T0339 196 :GLP 1eluB 187 :QGN T0339 199 :PILVHTDAAQALGKQRVDVEDLGVDFLTIVGHK 1eluB 191 :PVRVLVDGAQSAGSLPLDFSRLEVDYYAFTGHK T0339 232 :FY 1eluB 225 :FA T0339 234 :GPRIGALYIR 1eluB 228 :PAGVGGLYIH T0339 244 :GLGEFTP 1eluB 239 :DCLGEIN T0339 251 :LYPM 1eluB 252 :RSIT T0339 260 :QERNFRPGTENTPMIAGLGKAAELVTQ 1eluB 268 :GGKRFEVATSAYPQYAGLLAALQLHQR T0339 287 :NCEAYEAHMRDVRDYLEERLEA 1eluB 297 :TAEERYQAICQRSEFLWRGLNQ T0339 312 :QKRIHLNSQFPGT 1eluB 319 :LPHVHCLATSAPQ T0339 328 :PNTCNFSIRGP 1eluB 332 :AGLVSFTVDSP T0339 340 :LQGHVVLAQCRV 1eluB 343 :LGHRAIVQKLEE T0339 352 :LMASVGAA 1eluB 357 :IYLRTIAD T0339 383 :RNALRLSVGRSTTRAEVDLVVQDL 1eluB 365 :PDCIRACCHYITDEEEINHLLARL Number of specific fragments extracted= 20 number of extra gaps= 0 total=1187 Number of alignments=53 # 1eluB read from 1eluB/merged-good-all-a2m # found chain 1eluB in template set T0339 3 :KVYMDYNATTPLEPEVIQAMTKAMWEAWGNPSSPYSAGRKAKDIINAARESLAKMIGGKPQDIIFTSGGTESNNLVIHSV 1eluB 20 :KTYFNFGGQGILPTVALEAITAMYGYLQENGPFSIAANQHIQQLIAQLRQALAETFNVDPNTITITDNVTTGCDIVLWGL T0339 103 :VKGAKPHFITSSVEHDSIRLPLEHLVEEQVAAVTFVPVSKVSGQTE 1eluB 100 :DWHQGDEILLTDCEHPGIIAIVQAIAARFGITYRFFPVAATLNQGD T0339 149 :VDDILAAVRPTTRLVTIMLANNETGIVMPVPEISQRIKA 1eluB 147 :AAVLANHLGPKTRLVILSHLLWNTGQVLPLAEIMAVCRR T0339 197 :LPPILVHTDAAQALGKQRVDVEDLGVDFLTIVGHKFYGPR 1eluB 189 :NYPVRVLVDGAQSAGSLPLDFSRLEVDYYAFTGHKWFAGP T0339 237 :IGALYIRGLGEFTPLYPMLFGGGQ 1eluB 231 :VGGLYIHGDCLGEINPTYVGWRSI T0339 261 :ERNFRPGTENTPMIAGLGKAAELVT 1eluB 269 :GKRFEVATSAYPQYAGLLAALQLHQ T0339 286 :QNCEAYEAHMRDVRDYLEERLEAEFGQKRIH 1eluB 296 :GTAEERYQAICQRSEFLWRGLNQLPHVHCLA T0339 323 :GTQRLPNTCNFSIRG 1eluB 327 :TSAPQAGLVSFTVDS T0339 338 :PRLQGHVVLAQCRVLMASV 1eluB 343 :LGHRAIVQKLEEQRIYLRT T0339 377 :VP 1eluB 362 :IA T0339 382 :ARNALRLSVGRSTTRAEVDLVVQDL 1eluB 364 :DPDCIRACCHYITDEEEINHLLARL Number of specific fragments extracted= 11 number of extra gaps= 0 total=1198 Number of alignments=54 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2oatA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2oatA expands to /projects/compbio/data/pdb/2oat.pdb.gz 2oatA:# T0339 read from 2oatA/merged-good-all-a2m # 2oatA read from 2oatA/merged-good-all-a2m # adding 2oatA to template set # found chain 2oatA in template set Warning: unaligning (T0339)G105 because of BadResidue code BAD_PEPTIDE in next template residue (2oatA)Y166 Warning: unaligning (T0339)A106 because of BadResidue code BAD_PEPTIDE at template residue (2oatA)Y166 T0339 2 :RKVYMDYNA 2oatA 75 :GRKYFDFLS T0339 11 :TTPLEPEVIQA 2oatA 90 :QGHCHPKIVNA T0339 23 :TKAMWEAWGNPSSP 2oatA 101 :LKSQVDKLTLTSRA T0339 47 :INAARESLAKMIGG 2oatA 120 :LGEYEEYITKLFNY T0339 63 :QDIIFTSGGTESNNLVIHSVVKHFHANQTSK 2oatA 134 :HKVLPMNTGVEAGETACKLARKWGYTVKGIQ T0339 107 :KPHFITSSVEHDSIRLPLE 2oatA 167 :KAKIVFAAGNFWGRTLSAI T0339 126 :HLVEEQV 2oatA 192 :TSYDGFG T0339 135 :VTFVPVS 2oatA 204 :FDIIPYN T0339 148 :EVDDILAAV 2oatA 211 :DLPALERAL T0339 157 :RPTTRLVTIMLANNETGIVMP 2oatA 221 :DPNVAAFMVEPIQGEAGVVVP T0339 178 :VPEISQRIKALN 2oatA 246 :LMGVRELCTRHQ T0339 200 :ILVHTDAAQ 2oatA 258 :VLFIADEIQ T0339 209 :ALGKQRVDVEDLGV 2oatA 270 :ARTGRWLAVDYENV T0339 223 :DFLTIVGHKFYGP 2oatA 286 :DIVLLGKALSGGL T0339 236 :RIGALYIRG 2oatA 300 :PVSAVLCDD T0339 246 :G 2oatA 309 :D T0339 251 :LYPMLFGGGQERNF 2oatA 310 :IMLTIKPGEHGSTY T0339 268 :TENTPMIAGLGKAAELVTQ 2oatA 324 :GGNPLGCRVAIAALEVLEE T0339 287 :NC 2oatA 344 :NL T0339 292 :EAHMRDVRDYLEERLEAEFGQKRIHLNSQ 2oatA 346 :AENADKLGIILRNELMKLPSDVVTAVRGK T0339 328 :PNTCNFSIRG 2oatA 375 :GLLNAIVIKE T0339 338 :PRLQGHVVLAQCRV 2oatA 386 :KDWDAWKVCLRLRD T0339 352 :LMASV 2oatA 402 :LLAKP T0339 381 :VARNALRLSVGRSTTRAEVDLVVQDLKQAV 2oatA 407 :THGDIIRFAPPLVIKEDELRESIEIINKTI Number of specific fragments extracted= 24 number of extra gaps= 1 total=1222 Number of alignments=55 # 2oatA read from 2oatA/merged-good-all-a2m # found chain 2oatA in template set Warning: unaligning (T0339)K93 because of BadResidue code BAD_PEPTIDE in next template residue (2oatA)Y166 Warning: unaligning (T0339)G94 because of BadResidue code BAD_PEPTIDE at template residue (2oatA)Y166 T0339 1 :ERKVYMDYNA 2oatA 74 :EGRKYFDFLS T0339 11 :TTPLEPEVIQAMTKAMWEAW 2oatA 90 :QGHCHPKIVNALKSQVDKLT T0339 33 :PSSPYSAGRKAK 2oatA 110 :LTSRAFYNNVLG T0339 49 :AARESLAKMIGG 2oatA 122 :EYEEYITKLFNY T0339 63 :QDIIFTSGGTESNNLVIHSVVKHFH 2oatA 134 :HKVLPMNTGVEAGETACKLARKWGY T0339 88 :ANQTS 2oatA 160 :VKGIQ T0339 95 :H 2oatA 167 :K T0339 108 :PHFITSSVEHDSIRLPLE 2oatA 168 :AKIVFAAGNFWGRTLSAI T0339 126 :HLVEEQV 2oatA 192 :TSYDGFG T0339 135 :VTFVPVS 2oatA 204 :FDIIPYN T0339 148 :EVDDILAAVR 2oatA 211 :DLPALERALQ T0339 158 :PTTRLVTIMLANNETGIVMP 2oatA 222 :PNVAAFMVEPIQGEAGVVVP T0339 179 :PEISQ 2oatA 244 :GYLMG T0339 185 :IKALNQER 2oatA 249 :VRELCTRH T0339 199 :PILVHTDAAQ 2oatA 257 :QVLFIADEIQ T0339 209 :ALGKQRVD 2oatA 268 :GLARTGRW T0339 217 :VEDLGV 2oatA 278 :VDYENV T0339 223 :DFLTIV 2oatA 286 :DIVLLG T0339 231 :K 2oatA 292 :K T0339 232 :FY 2oatA 294 :LS T0339 234 :GPR 2oatA 297 :GLY T0339 237 :IGALYIR 2oatA 301 :VSAVLCD T0339 244 :GLGEFT 2oatA 309 :DIMLTI T0339 251 :LYPMLFG 2oatA 315 :KPGEHGS T0339 266 :PGTENTPMIAGLGKAAELVTQ 2oatA 322 :TYGGNPLGCRVAIAALEVLEE T0339 289 :EAYEAHMRDVRDYLEERLEAE 2oatA 343 :ENLAENADKLGIILRNELMKL T0339 311 :GQKRIHLNSQF 2oatA 364 :PSDVVTAVRGK T0339 328 :PNTCNFSIRGPR 2oatA 375 :GLLNAIVIKETK T0339 340 :LQGHVVLAQCRV 2oatA 388 :WDAWKVCLRLRD T0339 352 :LMASVGA 2oatA 402 :LLAKPTH T0339 383 :RNALRLSVGRSTTRAEVDLVVQDLKQAV 2oatA 409 :GDIIRFAPPLVIKEDELRESIEIINKTI Number of specific fragments extracted= 31 number of extra gaps= 1 total=1253 Number of alignments=56 # 2oatA read from 2oatA/merged-good-all-a2m # found chain 2oatA in template set Warning: unaligning (T0339)G105 because of BadResidue code BAD_PEPTIDE in next template residue (2oatA)Y166 Warning: unaligning (T0339)A106 because of BadResidue code BAD_PEPTIDE at template residue (2oatA)Y166 T0339 5 :YMDYNAT 2oatA 78 :YFDFLSS T0339 32 :NPS 2oatA 85 :YSA T0339 35 :SPYSAGRKAKDIIN 2oatA 89 :NQGHCHPKIVNALK T0339 49 :AARESLAKMIGG 2oatA 122 :EYEEYITKLFNY T0339 64 :DIIFTSGGTESNNLVIHSVVKHFHANQ 2oatA 135 :KVLPMNTGVEAGETACKLARKWGYTVK T0339 102 :PVK 2oatA 162 :GIQ T0339 107 :KPHFITSSVEHDSIRLPLEHL 2oatA 167 :KAKIVFAAGNFWGRTLSAISS T0339 129 :EEQVAA 2oatA 193 :SYDGFG T0339 135 :VTFVPVS 2oatA 204 :FDIIPYN T0339 148 :EVDDILAAV 2oatA 211 :DLPALERAL T0339 157 :RPTTRLVTIMLANNETGIVMP 2oatA 221 :DPNVAAFMVEPIQGEAGVVVP T0339 178 :VPEISQRIKA 2oatA 246 :LMGVRELCTR T0339 198 :PPILVHTDAAQALGKQRVD 2oatA 256 :HQVLFIADEIQTGLARTGR T0339 217 :VEDLGV 2oatA 278 :VDYENV T0339 223 :DFLTIVGHKFYGPR 2oatA 286 :DIVLLGKALSGGLY T0339 237 :IGALYIRGLGEFTPLYPMLFGG 2oatA 301 :VSAVLCDDDIMLTIKPGEHGST T0339 267 :GTENTPMIAGLGKAAELVT 2oatA 323 :YGGNPLGCRVAIAALEVLE T0339 290 :AYEAHMRDVRDYLEERLEAEFGQKRIH 2oatA 344 :NLAENADKLGIILRNELMKLPSDVVTA T0339 324 :TQRLPNTCNFSIR 2oatA 371 :VRGKGLLNAIVIK T0339 337 :GPRLQGHVVLAQCRVLMASVG 2oatA 387 :DWDAWKVCLRLRDNGLLAKPT T0339 382 :ARNALRLSVGRSTTRAEVDLVVQDLKQAV 2oatA 408 :HGDIIRFAPPLVIKEDELRESIEIINKTI Number of specific fragments extracted= 21 number of extra gaps= 1 total=1274 Number of alignments=57 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1gewA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1gewA expands to /projects/compbio/data/pdb/1gew.pdb.gz 1gewA:# T0339 read from 1gewA/merged-good-all-a2m # 1gewA read from 1gewA/merged-good-all-a2m # adding 1gewA to template set # found chain 1gewA in template set Warning: unaligning (T0339)L406 because last residue in template chain is (1gewA)L351 T0339 49 :AARESLAKMIGGKPQDIIFTSGGTESNNLVIHSVV 1gewA 62 :AVIENYAQYAGVKPEQVLVSRGADEGIELLIRAFC T0339 104 :KGAKPHFITSSVEHDS 1gewA 97 :EPGKDAILYCPPTYGM T0339 124 :LEHLVEEQVAAVTFVPVSK 1gewA 113 :YSVSAETIGVECRTVPTLD T0339 144 :SGQTEVDDILAAV 1gewA 132 :NWQLDLQGISDKL T0339 158 :PTTRLVTIMLANNETGIVMP 1gewA 145 :DGVKVVYVCSPNNPTGQLIN T0339 178 :VPEISQRIKALN 1gewA 168 :FRTLLELTRGKA T0339 200 :ILVHTDAAQALGKQRVDVEDLG 1gewA 180 :IVVADEAYIEFCPQASLAGWLA T0339 224 :FLTIVGHKFYGP 1gewA 207 :AILRTLSKAFAL T0339 236 :R 1gewA 220 :G T0339 237 :IGALYIR 1gewA 223 :CGFTLAN T0339 246 :GEFTPL 1gewA 238 :KVIAPY T0339 264 :FRP 1gewA 244 :PLS T0339 271 :T 1gewA 247 :T T0339 275 :AGLGKAAELVTQ 1gewA 248 :PVADIAAQALSP T0339 287 :NCEAYEAHMRDVRD 1gewA 261 :GIVAMRERVAQIIA T0339 301 :YLEERLEAEFG 1gewA 278 :YLIAALKEIPC T0339 315 :IHLNSQFP 1gewA 289 :VEQVFDSE T0339 328 :PNTCNFSIRG 1gewA 297 :TNYILARFKA T0339 342 :GHVVLAQCRV 1gewA 307 :SSAVFKSLWD T0339 352 :LMASV 1gewA 319 :IILRD T0339 362 :S 1gewA 324 :Q T0339 377 :VPFDVARNALRLSVGR 1gewA 325 :NKQPSLSGCLRITVGT T0339 396 :RAEVDLVVQD 1gewA 341 :REESQRVIDA Number of specific fragments extracted= 23 number of extra gaps= 0 total=1297 Number of alignments=58 # 1gewA read from 1gewA/merged-good-all-a2m # found chain 1gewA in template set Warning: unaligning (T0339)L406 because last residue in template chain is (1gewA)L351 T0339 30 :WGNPSSPYS 1gewA 53 :NRYPECQPK T0339 49 :AARESLAKMIGGKPQDIIFTSGGTESNNLVIHSV 1gewA 62 :AVIENYAQYAGVKPEQVLVSRGADEGIELLIRAF T0339 91 :TSKG 1gewA 96 :CEPG T0339 95 :H 1gewA 101 :D T0339 109 :HFITSSVEHDSIRLPLEHL 1gewA 102 :AILYCPPTYGMYSVSAETI T0339 132 :VAAVTFVPVSK 1gewA 121 :GVECRTVPTLD T0339 144 :SGQTEVDDILA 1gewA 132 :NWQLDLQGISD T0339 158 :PTTRLVTIMLANNETGIVMPVPEISQ 1gewA 145 :DGVKVVYVCSPNNPTGQLINPQDFRT T0339 185 :IKALNQE 1gewA 171 :LLELTRG T0339 199 :PILVHTDAAQALGKQR 1gewA 178 :KAIVVADEAYIEFCPQ T0339 215 :VDVEDL 1gewA 195 :SLAGWL T0339 221 :GV 1gewA 202 :EY T0339 223 :DFLTIVGHK 1gewA 206 :LAILRTLSK T0339 232 :FY 1gewA 216 :FA T0339 234 :GPRIGALYIR 1gewA 220 :GLRCGFTLAN T0339 244 :GLGEFT 1gewA 231 :EVINLL T0339 250 :PLYP 1gewA 238 :KVIA T0339 266 :PGTENTPMIAGLGKAA 1gewA 242 :PYPLSTPVADIAAQAL T0339 283 :L 1gewA 261 :G T0339 285 :TQNCEAYEAHMRDVRDYLEERLEA 1gewA 262 :IVAMRERVAQIIAEREYLIAALKE T0339 312 :QKRIHLNSQFP 1gewA 286 :IPCVEQVFDSE T0339 328 :PNTCNFSIR 1gewA 297 :TNYILARFK T0339 341 :QGHVVLAQCRV 1gewA 306 :ASSAVFKSLWD T0339 352 :LMA 1gewA 319 :IIL T0339 357 :GAACHSDHG 1gewA 322 :RDQNKQPSL T0339 383 :RNALRLSVG 1gewA 331 :SGCLRITVG T0339 395 :TRAEVDLVVQD 1gewA 340 :TREESQRVIDA Number of specific fragments extracted= 27 number of extra gaps= 0 total=1324 Number of alignments=59 # 1gewA read from 1gewA/merged-good-all-a2m # found chain 1gewA in template set Warning: unaligning (T0339)L406 because last residue in template chain is (1gewA)L351 T0339 14 :LEPEVIQAMTKAM 1gewA 59 :QPKAVIENYAQYA T0339 59 :GGKPQDIIFTSGGTESNNLVIHSV 1gewA 72 :GVKPEQVLVSRGADEGIELLIRAF T0339 103 :VKGAKPHFITSSVEHDSIRLPLEHL 1gewA 96 :CEPGKDAILYCPPTYGMYSVSAETI T0339 132 :VAAVTFVPVS 1gewA 121 :GVECRTVPTL T0339 143 :VSGQTEVDDILAAV 1gewA 131 :DNWQLDLQGISDKL T0339 158 :PTTRLVTIMLANNETGIVMP 1gewA 145 :DGVKVVYVCSPNNPTGQLIN T0339 178 :VPEISQRIK 1gewA 168 :FRTLLELTR T0339 198 :PPILVHTDAAQALGKQRVD 1gewA 177 :GKAIVVADEAYIEFCPQAS T0339 217 :VEDLGVDFLTIVGHKFYGPR 1gewA 200 :LAEYPHLAILRTLSKAFALA T0339 237 :IGALYIRGLGEFTPLYPMLFGGG 1gewA 223 :CGFTLANEEVINLLMKVIAPYPL T0339 270 :NTP 1gewA 246 :STP T0339 276 :GLGKAAELVT 1gewA 249 :VADIAAQALS T0339 286 :QNCEAYEAHMRDV 1gewA 260 :QGIVAMRERVAQI T0339 299 :RDYLEERLEAEFGQKRIH 1gewA 276 :REYLIAALKEIPCVEQVF T0339 325 :QRLPNTCNFSIRG 1gewA 294 :DSETNYILARFKA T0339 340 :LQGHVVLAQCRVLMASVG 1gewA 307 :SSAVFKSLWDQGIILRDQ T0339 377 :VPFDVARNALRLSVG 1gewA 325 :NKQPSLSGCLRITVG T0339 395 :TRAEVDLVVQD 1gewA 340 :TREESQRVIDA Number of specific fragments extracted= 18 number of extra gaps= 0 total=1342 Number of alignments=60 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1c0nA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1c0nA expands to /projects/compbio/data/pdb/1c0n.pdb.gz 1c0nA:# T0339 read from 1c0nA/merged-good-all-a2m # 1c0nA read from 1c0nA/merged-good-all-a2m # adding 1c0nA to template set # found chain 1c0nA in template set T0339 2 :RKVYMDYNATTPLEPEVIQAMTKAMWEAWGN 1c0nA 23 :PLAYLDSAASAQKPSQVIDAEAEFYRHGYAA T0339 33 :PSSPYSAGRKAKDIINAARESLAKMIGG 1c0nA 55 :HAGAHTLSAQATEKMENVRKRASLFINA T0339 61 :KPQDIIFTSGGTESNNLVIHSVVKHFH 1c0nA 84 :SAEELVFVRGTTEGINLVANSWGNSNV T0339 105 :GAKPHFITSSVEHDSIRLPLEHLVEEQVAAVTFVPVSK 1c0nA 111 :RAGDNIIISQMEHHANIVPWQMLCARVGAELRVIPLNP T0339 144 :SGQTEVD 1c0nA 149 :DGTLQLE T0339 154 :AAVRPTTRLVTIMLANNETGIVMPVPEISQRIKALN 1c0nA 159 :TLFDAATRLLAITHVSNVLGTENPLAEMITLAHQHG T0339 200 :ILVHTDAAQALGKQRVDVEDLGVDFLTIVGHKFYGP 1c0nA 195 :AKVLVDGAQAVMHHPVDVQALDCDFYVFSGHKLYGP T0339 236 :RIGALYIRG 1c0nA 232 :GIGILYVKE T0339 246 :GEFTPLYPMLFGGGQ 1c0nA 241 :ALLQEMPPWEGGGSM T0339 261 :ERNFRPGTENTPMIAGLGKAAELVTQ 1c0nA 271 :PWRFEAGTPNTGGIIGLGAALEYVSA T0339 287 :NCEAYEAHMRDVRDYLEERLEAEFG 1c0nA 298 :GLNNIAEYEQNLMHYALSQLESVPD T0339 315 :IHLNSQ 1c0nA 323 :LTLYGP T0339 323 :GT 1c0nA 329 :QA T0339 326 :RLP 1c0nA 331 :RLG T0339 330 :TCNFSIRG 1c0nA 334 :VIAFNLGA T0339 340 :LQGHVVLAQCRV 1c0nA 342 :HHAYDVGSFLDN T0339 352 :LMASVGAACH 1c0nA 356 :IAVRTGHHCA T0339 369 :SPVLLSYGVPF 1c0nA 366 :MPLMAYYNVPA T0339 385 :ALRLSVGRSTTRAEVDLVVQDLKQAVAQL 1c0nA 377 :MCRASLAMYNTHEEVDRLVTGLQRIHRLL Number of specific fragments extracted= 19 number of extra gaps= 0 total=1361 Number of alignments=61 # 1c0nA read from 1c0nA/merged-good-all-a2m # found chain 1c0nA in template set T0339 2 :RKVYMDYNATTPLEPEVIQAMTKAMWEAWGNPSSP 1c0nA 23 :PLAYLDSAASAQKPSQVIDAEAEFYRHGYAAVHAG T0339 37 :YSAGRKAKDIINAARESLAKMIGG 1c0nA 59 :HTLSAQATEKMENVRKRASLFINA T0339 61 :KPQDIIFTSGGTESNNLVIHSVVK 1c0nA 84 :SAEELVFVRGTTEGINLVANSWGN T0339 89 :NQTSKGH 1c0nA 108 :SNVRAGD T0339 109 :HFITSSVEHDSIRLPLEHLVEEQVAAVTFVPVSK 1c0nA 115 :NIIISQMEHHANIVPWQMLCARVGAELRVIPLNP T0339 144 :SGQTEVD 1c0nA 149 :DGTLQLE T0339 155 :AVRPTTRLVTIMLANNETGIVMPVPEISQ 1c0nA 160 :LFDAATRLLAITHVSNVLGTENPLAEMIT T0339 188 :LNQER 1c0nA 189 :LAHQH T0339 199 :PILVHTDAAQALGKQRVDVEDLGVDFLTIVGHK 1c0nA 194 :GAKVLVDGAQAVMHHPVDVQALDCDFYVFSGHK T0339 232 :FYGPRIGALYIR 1c0nA 228 :YGPTGIGILYVK T0339 244 :GLGEFT 1c0nA 241 :ALLQEM T0339 252 :YPMLFGGG 1c0nA 247 :PPWEGGGS T0339 260 :QERNFRPGTENTPMIAGLGKAAELVTQ 1c0nA 270 :APWRFEAGTPNTGGIIGLGAALEYVSA T0339 287 :NCEAYEAHMRDVRDYLEERLEA 1c0nA 298 :GLNNIAEYEQNLMHYALSQLES T0339 312 :QKRIHLNSQFPG 1c0nA 320 :VPDLTLYGPQAR T0339 328 :PNTCNFSIRG 1c0nA 332 :LGVIAFNLGA T0339 340 :LQGHVVLAQCRV 1c0nA 342 :HHAYDVGSFLDN T0339 352 :LMASVGAACH 1c0nA 356 :IAVRTGHHCA T0339 362 :SD 1c0nA 372 :YN T0339 377 :V 1c0nA 374 :V T0339 383 :RNALRLSVGRSTTRAEVDLVVQDLKQAVAQL 1c0nA 375 :PAMCRASLAMYNTHEEVDRLVTGLQRIHRLL Number of specific fragments extracted= 21 number of extra gaps= 0 total=1382 Number of alignments=62 # 1c0nA read from 1c0nA/merged-good-all-a2m # found chain 1c0nA in template set T0339 2 :RKVYMDYNATTPLEPEVIQAMTKAMWEAWGNPS 1c0nA 23 :PLAYLDSAASAQKPSQVIDAEAEFYRHGYAAVH T0339 35 :SPYSAGRKAKDIINAARESLAKMIGG 1c0nA 57 :GAHTLSAQATEKMENVRKRASLFINA T0339 61 :KPQDIIFTSGGTESNNLVIHSV 1c0nA 84 :SAEELVFVRGTTEGINLVANSW T0339 100 :HSPVKGAKPHFITSSVEHDSIRLPLEHLVEEQVAAVTFVPVS 1c0nA 106 :GNSNVRAGDNIIISQMEHHANIVPWQMLCARVGAELRVIPLN T0339 143 :VSGQTEVDDILAAVRPTTRLVTIMLANNETGIVMPVPEISQRIKA 1c0nA 148 :PDGTLQLETLPTLFDAATRLLAITHVSNVLGTENPLAEMITLAHQ T0339 198 :PPILVHTDAAQALGKQRVDVEDLGVDFLTIVGHKFYGPR 1c0nA 193 :HGAKVLVDGAQAVMHHPVDVQALDCDFYVFSGHKLYGPT T0339 237 :IGALYIRGLGEFTPLYPMLFGGGQ 1c0nA 233 :IGILYVKEALLQEMPPWEGGGSMI T0339 261 :ERNFRPGTENTPMIAGLGKAAELVT 1c0nA 271 :PWRFEAGTPNTGGIIGLGAALEYVS T0339 286 :QNCEAYEAHMRDVRDYLEERLEAEFGQKRIH 1c0nA 297 :LGLNNIAEYEQNLMHYALSQLESVPDLTLYG T0339 324 :TQRLPNTCNFSIRGPRLQGHVVLAQCRVLMASVGAACHSDHG 1c0nA 328 :PQARLGVIAFNLGAHHAYDVGSFLDNYGIAVRTGHHCAMPLM T0339 378 :PFDVARNALRLSVGRSTTRAEVDLVVQDLKQAVAQL 1c0nA 370 :AYYNVPAMCRASLAMYNTHEEVDRLVTGLQRIHRLL Number of specific fragments extracted= 11 number of extra gaps= 0 total=1393 Number of alignments=63 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1t3iA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0339 read from 1t3iA/merged-good-all-a2m # 1t3iA read from 1t3iA/merged-good-all-a2m # found chain 1t3iA in training set Warning: unaligning (T0339)S35 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1t3iA)G62 Warning: unaligning (T0339)E414 because last residue in template chain is (1t3iA)S414 T0339 2 :RKVYMDYNATTPLEPEVIQAMTKAMWEAWGN 1t3iA 28 :PLVYLDNAATSQKPRAVLEKLMHYYENDNAN T0339 36 :PYSAGRKAKDIINAARESLAKMIGG 1t3iA 63 :AHQLSVRATDAYEAVRNKVAKFINA T0339 61 :KPQDIIFTSGGTESNNLVIHSVVKHFH 1t3iA 89 :SPREIVYTRNATEAINLVAYSWGMNNL T0339 105 :GAKPHFITSSVEHDSIRLPLEHLVEEQVAAVTFVPVSK 1t3iA 116 :KAGDEIITTVMEHHSNLVPWQMVAAKTGAVLKFVQLDE T0339 144 :SGQTEVDDILAAVRPTTRLVTIMLANNETGIVMPVPEISQRIKALN 1t3iA 154 :QESFDLEHFKTLLSEKTKLVTVVHISNTLGCVNPAEEIAQLAHQAG T0339 200 :ILVHTDAAQALGKQRVDVEDLGVDFLTIVGHKFYGP 1t3iA 200 :AKVLVDACQSAPHYPLDVQLIDCDWLVASGHKMCAP T0339 236 :RIGALYIRG 1t3iA 237 :GIGFLYGKE T0339 246 :GEFTPLYPMLFGGGQ 1t3iA 246 :EILEAMPPFFGGGEM T0339 261 :ERNFRPGTENTPMIAGLGKAAELVTQ 1t3iA 275 :PHKFEAGTPAIAEAIALGAAVDYLTD T0339 287 :NCEAYEAHMRDVRDYLEERLEAEFG 1t3iA 302 :GMENIHNYEVELTHYLWQGLGQIPQ T0339 315 :IHLNSQFPGTQRLPNTCNFSIRG 1t3iA 327 :LRLYGPNPKHGDRAALASFNVAG T0339 340 :LQGHVVLAQCRV 1t3iA 350 :LHASDVATMVDQ T0339 352 :LMASVGAACH 1t3iA 364 :IAIRSGHHCT T0339 369 :SPVLLSYGVP 1t3iA 374 :QPLHRLFDAS T0339 384 :NALRLSVGRSTTRAEVDLVVQDLKQAVAQL 1t3iA 384 :GSARASLYFYNTKEEIDLFLQSLQATIRFF Number of specific fragments extracted= 15 number of extra gaps= 0 total=1408 Number of alignments=64 # 1t3iA read from 1t3iA/merged-good-all-a2m # found chain 1t3iA in training set Warning: unaligning (T0339)P33 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1t3iA)G62 Warning: unaligning (T0339)P36 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1t3iA)G62 Warning: unaligning (T0339)E414 because last residue in template chain is (1t3iA)S414 T0339 2 :RKVYMDYNATTPLEPEVIQAMTKAMWEAWGN 1t3iA 28 :PLVYLDNAATSQKPRAVLEKLMHYYENDNAN T0339 37 :YSAGRKAKDIINAARESLAKMIGGK 1t3iA 64 :HQLSVRATDAYEAVRNKVAKFINAR T0339 62 :PQDIIFTSGGTESNNLVIHSVVKHF 1t3iA 90 :PREIVYTRNATEAINLVAYSWGMNN T0339 91 :TSKGH 1t3iA 115 :LKAGD T0339 109 :HFITSSVEHDSIRLPLEHLVEEQVAAVTFVPVSK 1t3iA 120 :EIITTVMEHHSNLVPWQMVAAKTGAVLKFVQLDE T0339 144 :SGQTEVDDILAAVRPTTRLVTIMLANNETGIVMPVPEISQ 1t3iA 154 :QESFDLEHFKTLLSEKTKLVTVVHISNTLGCVNPAEEIAQ T0339 188 :LNQER 1t3iA 194 :LAHQA T0339 199 :PILVHTDAAQALGKQRVDVEDLGVDFLTIVGHK 1t3iA 199 :GAKVLVDACQSAPHYPLDVQLIDCDWLVASGHK T0339 232 :FYGPRIGALYIR 1t3iA 233 :CAPTGIGFLYGK T0339 244 :GLGEF 1t3iA 246 :EILEA T0339 251 :LYPMLFGGG 1t3iA 251 :MPPFFGGGE T0339 260 :QERNFRPGTENTPMIAGLGKAAELVTQ 1t3iA 274 :LPHKFEAGTPAIAEAIALGAAVDYLTD T0339 287 :NCEAYEAHMRDVRDYLEERLEA 1t3iA 302 :GMENIHNYEVELTHYLWQGLGQ T0339 312 :QKRIHLNSQFPGTQRLPNTCNFSIRG 1t3iA 324 :IPQLRLYGPNPKHGDRAALASFNVAG T0339 340 :LQGHVVLAQCRV 1t3iA 350 :LHASDVATMVDQ T0339 352 :LMASVGAACH 1t3iA 364 :IAIRSGHHCT T0339 362 :SDH 1t3iA 380 :FDA T0339 383 :RNALRLSVGRSTTRAEVDLVVQDLKQAVAQL 1t3iA 383 :SGSARASLYFYNTKEEIDLFLQSLQATIRFF Number of specific fragments extracted= 18 number of extra gaps= 0 total=1426 Number of alignments=65 # 1t3iA read from 1t3iA/merged-good-all-a2m # found chain 1t3iA in training set Warning: unaligning (T0339)P33 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1t3iA)G62 Warning: unaligning (T0339)S35 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1t3iA)G62 Warning: unaligning (T0339)E414 because last residue in template chain is (1t3iA)S414 T0339 3 :KVYMDYNATTPLEPEVIQAMTKAMWEAWGN 1t3iA 29 :LVYLDNAATSQKPRAVLEKLMHYYENDNAN T0339 36 :PYSAGRKAKDIINAARESLAKMIGG 1t3iA 63 :AHQLSVRATDAYEAVRNKVAKFINA T0339 61 :KPQDIIFTSGGTESNNLVIHSV 1t3iA 89 :SPREIVYTRNATEAINLVAYSW T0339 100 :HSPVKGAKPHFITSSVEHDSIRLPLEHLVEEQVAAVTFVPVS 1t3iA 111 :GMNNLKAGDEIITTVMEHHSNLVPWQMVAAKTGAVLKFVQLD T0339 143 :VSGQTEVDDILAAVRPTTRLVTIMLANNETGIVMPVPEISQRIKA 1t3iA 153 :EQESFDLEHFKTLLSEKTKLVTVVHISNTLGCVNPAEEIAQLAHQ T0339 198 :PPILVHTDAAQALGKQRVDVEDLGVDFLTIVGHKFYGPR 1t3iA 198 :AGAKVLVDACQSAPHYPLDVQLIDCDWLVASGHKMCAPT T0339 237 :IGALYIRGLGEFTPLYPMLFGGGQ 1t3iA 238 :IGFLYGKEEILEAMPPFFGGGEMI T0339 261 :ERNFRPGTENTPMIAGLGKAAELVT 1t3iA 275 :PHKFEAGTPAIAEAIALGAAVDYLT T0339 286 :QNCEAYEAHMRDVRDYLEERLEAEFGQKRIH 1t3iA 301 :LGMENIHNYEVELTHYLWQGLGQIPQLRLYG T0339 320 :QFPGTQRLPNTCNFSIRGPRLQGHVVLAQCRVLMASVGAACHSDHG 1t3iA 332 :PNPKHGDRAALASFNVAGLHASDVATMVDQDGIAIRSGHHCTQPLH T0339 378 :PFDVARNALRLSVGRSTTRAEVDLVVQDLKQAVAQL 1t3iA 378 :RLFDASGSARASLYFYNTKEEIDLFLQSLQATIRFF Number of specific fragments extracted= 11 number of extra gaps= 0 total=1437 Number of alignments=66 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1qgnA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments Warning: Couldn't open file /projects/compbio/experiments/protein-predict/casp7/T0339/1qgnA/merged-good-all-a2m or /projects/compbio/experiments/protein-predict/casp7/T0339/1qgnA/merged-good-all-a2m.gz for input Trying 1qgnA/merged-good-all-a2m Error: Couldn't open file 1qgnA/merged-good-all-a2m or 1qgnA/merged-good-all-a2m.gz for input # Reading fragments from alignment file # Attempting to read fragment alignments from file 1cs1A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0339 read from 1cs1A/merged-good-all-a2m # 1cs1A read from 1cs1A/merged-good-all-a2m # found chain 1cs1A in training set Warning: unaligning (T0339)H230 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1cs1A)Y199 Warning: unaligning (T0339)F232 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1cs1A)Y199 T0339 37 :YSAGRKAKDIINAARESLAKMIGGK 1cs1A 44 :HDYSRRGNPTRDVVQRALAELEGGA T0339 64 :DIIFTSGGTESNNLVIHSVV 1cs1A 69 :GAVLTNTGMSAIHLVTTVFL T0339 105 :GAKPHFITSSVEHDSIRLPLEHLVEEQVAAVTFVPVS 1cs1A 89 :KPGDLLVAPHDCYGGSYRLFDSLAKRGCYRVLFVDQG T0339 148 :EVDDILAAVRPTTRLVTIMLANNETGIVMPVPEISQRIKALN 1cs1A 126 :DEQALRAALAEKPKLVLVESPSNPLLRVVDIAKICHLAREVG T0339 200 :ILVHTDAAQALGKQRVDV 1cs1A 168 :AVSVVDNTFLSPALQNPL T0339 219 :DLGVDFLTIVG 1cs1A 186 :ALGADLVLHSC T0339 233 :Y 1cs1A 200 :L T0339 234 :GP 1cs1A 202 :GH T0339 236 :RI 1cs1A 205 :DV T0339 238 :GALYIRGLGEFTPLYPMLFGGGQERNFRP 1cs1A 209 :GVVIAKDPDVVTELAWWANNIGVTGGAFD T0339 277 :LGKAAELVTQ 1cs1A 238 :SYLLLRGLRT T0339 287 :NCEAYEAHMRDVR 1cs1A 251 :RMELAQRNAQAIV T0339 304 :ERLEAEFG 1cs1A 264 :KYLQTQPL T0339 315 :IHLNSQFP 1cs1A 272 :VKKLYHPS T0339 323 :GT 1cs1A 281 :PE T0339 326 :RLPNTCNFSIRGPRLQGHVVLAQCRV 1cs1A 295 :GFGAMLSFELDGDEQTLRRFLGGLSL T0339 352 :LMASVG 1cs1A 323 :LAESLG T0339 358 :AACHSDHGDQPSPVLLSYGVPFDVARNALRLSVGRSTTR 1cs1A 332 :SLISHAATMTHAGMAPEARAAAGISETLLRISTGIEDGE T0339 401 :LVVQDLKQAVAQLEDQ 1cs1A 371 :DLIADLENGFRAANKG Number of specific fragments extracted= 19 number of extra gaps= 0 total=1456 Number of alignments=67 # 1cs1A read from 1cs1A/merged-good-all-a2m # found chain 1cs1A in training set Warning: unaligning (T0339)H230 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1cs1A)Y199 T0339 33 :PSSPYSAGRKAKDIINAARESLAKMIGG 1cs1A 40 :EPRAHDYSRRGNPTRDVVQRALAELEGG T0339 63 :QDIIFTSGGTESNNLVIHSV 1cs1A 68 :AGAVLTNTGMSAIHLVTTVF T0339 91 :TSKGH 1cs1A 88 :LKPGD T0339 109 :HFITSSVEHDSIRLPLEHLVEEQVAAVTFVPVS 1cs1A 93 :LLVAPHDCYGGSYRLFDSLAKRGCYRVLFVDQG T0339 148 :EVDDILAAVRPTTRLVTIMLANNETGIVMPVPEISQ 1cs1A 126 :DEQALRAALAEKPKLVLVESPSNPLLRVVDIAKICH T0339 188 :LNQER 1cs1A 162 :LAREV T0339 199 :PILVHTDAAQALGKQRVDV 1cs1A 167 :GAVSVVDNTFLSPALQNPL T0339 219 :DLGVDFLTIVG 1cs1A 186 :ALGADLVLHSC T0339 232 :FYGPR 1cs1A 200 :LNGHS T0339 237 :IGALYIR 1cs1A 208 :AGVVIAK T0339 244 :G 1cs1A 216 :P T0339 245 :LGEFTPLYPMLFG 1cs1A 218 :VVTELAWWANNIG T0339 267 :GTENTPMIAGLGKAAELVTQNCEAYEAHMRDVRD 1cs1A 231 :VTGGAFDSYLLLRGLRTLVPRMELAQRNAQAIVK T0339 305 :RLEA 1cs1A 265 :YLQT T0339 312 :QKRI 1cs1A 269 :QPLV T0339 316 :HLNSQFPGT 1cs1A 274 :KLYHPSLPE T0339 325 :QRLPNTCNFSIRGPRLQGHVVLAQCRV 1cs1A 294 :KGFGAMLSFELDGDEQTLRRFLGGLSL T0339 352 :LMASVGAACH 1cs1A 323 :LAESLGGVES T0339 362 :SDHGDQPSPVLLSYGVPFDVARNALRLSVGR 1cs1A 336 :HAATMTHAGMAPEARAAAGISETLLRISTGI T0339 394 :TTRA 1cs1A 367 :EDGE T0339 401 :LVVQDLKQAVAQLEDQ 1cs1A 371 :DLIADLENGFRAANKG Number of specific fragments extracted= 21 number of extra gaps= 0 total=1477 Number of alignments=68 # 1cs1A read from 1cs1A/merged-good-all-a2m # found chain 1cs1A in training set Warning: unaligning (T0339)H230 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1cs1A)Y199 Warning: unaligning (T0339)F232 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1cs1A)Y199 T0339 45 :DIINAARESLAKMIGG 1cs1A 52 :PTRDVVQRALAELEGG T0339 64 :DIIFTSGGTESNNLVIHSV 1cs1A 69 :GAVLTNTGMSAIHLVTTVF T0339 104 :KGAKPHFITSSVEHDSIRLPLEHLVEEQVAAVTFVPVS 1cs1A 88 :LKPGDLLVAPHDCYGGSYRLFDSLAKRGCYRVLFVDQG T0339 148 :EVDDILAAVRPTTRLVTIMLANNETGIVMPVPEISQRIKA 1cs1A 126 :DEQALRAALAEKPKLVLVESPSNPLLRVVDIAKICHLARE T0339 198 :PPILVHTDAAQALGKQ 1cs1A 166 :VGAVSVVDNTFLSPAL T0339 215 :VDVEDLGVDFLTIVG 1cs1A 182 :QNPLALGADLVLHSC T0339 233 :YGPR 1cs1A 200 :LNGH T0339 237 :IGALYIRGLGEFTP 1cs1A 208 :AGVVIAKDPDVVTE T0339 261 :ERNF 1cs1A 228 :NIGV T0339 268 :TENTPM 1cs1A 232 :TGGAFD T0339 277 :LGKAAELVT 1cs1A 238 :SYLLLRGLR T0339 286 :QNCEAYEAHMR 1cs1A 250 :PRMELAQRNAQ T0339 301 :YLEERLEAEFGQKRIHLNSQFPGT 1cs1A 261 :AIVKYLQTQPLVKKLYHPSLPENQ T0339 327 :LPNTCNFSIRG 1cs1A 296 :FGAMLSFELDG T0339 339 :RLQGHVVLAQ 1cs1A 307 :DEQTLRRFLG T0339 351 :V 1cs1A 317 :G T0339 352 :LMASVGAACHSDHG 1cs1A 332 :SLISHAATMTHAGM T0339 367 :QPSPVLLS 1cs1A 346 :APEARAAA T0339 380 :DVARNALRLSVGRSTTRA 1cs1A 354 :GISETLLRISTGIEDGED T0339 402 :VVQDLKQAVAQLE 1cs1A 372 :LIADLENGFRAAN Number of specific fragments extracted= 20 number of extra gaps= 0 total=1497 Number of alignments=69 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1kkjA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1kkjA expands to /projects/compbio/data/pdb/1kkj.pdb.gz 1kkjA:# T0339 read from 1kkjA/merged-good-all-a2m # 1kkjA read from 1kkjA/merged-good-all-a2m # adding 1kkjA to template set # found chain 1kkjA in template set Warning: unaligning (T0339)I165 because of BadResidue code BAD_PEPTIDE in next template residue (1kkjA)A170 Warning: unaligning (T0339)M166 because of BadResidue code BAD_PEPTIDE at template residue (1kkjA)A170 Warning: unaligning (T0339)F256 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1kkjA)P252 Warning: unaligning (T0339)G257 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1kkjA)P252 T0339 4 :VYM 1kkjA 26 :IEL T0339 8 :YNATTPLEPEVIQAM 1kkjA 29 :IASENFVSRAVMEAQ T0339 27 :WEAWGN 1kkjA 48 :TNKYAE T0339 33 :P 1kkjA 56 :P T0339 34 :SSPYSA 1kkjA 61 :YGGCEY T0339 43 :AKDIINAARESLAKMIGG 1kkjA 67 :VDIVEELARERAKQLFGA T0339 63 :QDIIFTS 1kkjA 85 :EHANVQP T0339 70 :GGTESNNLVIHSVV 1kkjA 93 :SGAQANMAVYFTVL T0339 105 :GAKPHFITSSVEHDSI 1kkjA 107 :EHGDTVLGMNLSHGGH T0339 123 :PLEHL 1kkjA 131 :FSGVQ T0339 133 :AAVTFVPVSKVSGQTEVDDILAAV 1kkjA 136 :YNFVAYGVDPETHVIDYDDVREKA T0339 159 :TTRLVT 1kkjA 163 :RPKLIV T0339 167 :LAN 1kkjA 171 :ASA T0339 172 :TGIVMPVPEISQRIKALN 1kkjA 174 :YPRIIDFAKFREIADEVG T0339 200 :ILVHTDAAQ 1kkjA 192 :AYLMVDMAH T0339 209 :ALGKQRVDVE 1kkjA 206 :AAGLHPNPVP T0339 221 :GVDFLTIVGHKFY 1kkjA 216 :YAHFVTTTTHKTL T0339 234 :GPRIGALYIRG 1kkjA 230 :GPRGGMILCQE T0339 246 :GEFTPLYPML 1kkjA 241 :QFAKQIDKAI T0339 258 :G 1kkjA 253 :G T0339 265 :RPGTENTPMIAGLGKAAELVTQ 1kkjA 254 :IQGGPLMHVIAAKAVAFGEALQ T0339 287 :NCEAYEAHMRDVRDYLEERLEA 1kkjA 277 :DFKAYAKRVVDNAKRLASALQN T0339 310 :FG 1kkjA 299 :EG T0339 315 :IHLNSQ 1kkjA 301 :FTLVSG T0339 323 :GTQ 1kkjA 307 :GTD T0339 328 :PNTCNFSIRGPRLQGHVVLAQCRVLMASVG 1kkjA 310 :NHLLLVDLRPQQLTGKTAEKVLDEVGITVN T0339 360 :CHSDHG 1kkjA 341 :NTIPYD T0339 376 :GVPFDVA 1kkjA 347 :PESPFVT T0339 384 :NALRLSV 1kkjA 354 :SGIRIGT T0339 391 :GRSTTRAEVDLVVQDLKQA 1kkjA 365 :TRGFGLEEMDEIAAIIGLV T0339 410 :VAQLED 1kkjA 393 :LEEARQ Number of specific fragments extracted= 31 number of extra gaps= 2 total=1528 Number of alignments=70 # 1kkjA read from 1kkjA/merged-good-all-a2m # found chain 1kkjA in template set Warning: unaligning (T0339)L167 because of BadResidue code BAD_PEPTIDE in next template residue (1kkjA)A170 Warning: unaligning (T0339)A168 because of BadResidue code BAD_PEPTIDE at template residue (1kkjA)A170 Warning: unaligning (T0339)L255 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1kkjA)P252 Warning: unaligning (T0339)F256 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1kkjA)P252 T0339 4 :VYM 1kkjA 26 :IEL T0339 8 :YNATTPLEPEVIQA 1kkjA 29 :IASENFVSRAVMEA T0339 31 :GNPSSP 1kkjA 54 :GYPGRR T0339 37 :YSAGRKAKDIINAARESLAKMIGG 1kkjA 61 :YGGCEYVDIVEELARERAKQLFGA T0339 63 :QDIIFTS 1kkjA 85 :EHANVQP T0339 70 :GGTESNNLVIHSV 1kkjA 93 :SGAQANMAVYFTV T0339 91 :TSKGH 1kkjA 106 :LEHGD T0339 109 :HFITSSVEHDSIR 1kkjA 111 :TVLGMNLSHGGHL T0339 122 :LPLEHL 1kkjA 131 :FSGVQY T0339 134 :AVTFVPVSKVSGQTEVDDILAAVR 1kkjA 137 :NFVAYGVDPETHVIDYDDVREKAR T0339 158 :PTTRLVT 1kkjA 162 :HRPKLIV T0339 169 :NNETGIVMPVPEISQ 1kkjA 171 :ASAYPRIIDFAKFRE T0339 188 :LNQER 1kkjA 186 :IADEV T0339 199 :PILVHTDAAQ 1kkjA 191 :GAYLMVDMAH T0339 209 :ALGKQ 1kkjA 203 :GLVAA T0339 215 :VD 1kkjA 210 :HP T0339 217 :VED 1kkjA 214 :VPY T0339 222 :VDFLTIVGHK 1kkjA 217 :AHFVTTTTHK T0339 232 :FYGPRIGALYIR 1kkjA 228 :LRGPRGGMILCQ T0339 244 :GLGEFT 1kkjA 241 :QFAKQI T0339 251 :LYPM 1kkjA 247 :DKAI T0339 257 :G 1kkjA 253 :G T0339 266 :PGTENTPMIAGLGK 1kkjA 254 :IQGGPLMHVIAAKA T0339 280 :AAELVTQ 1kkjA 269 :AFGEALQ T0339 287 :NCEAYEAHMRDVRDYLEERLEAE 1kkjA 277 :DFKAYAKRVVDNAKRLASALQNE T0339 314 :RIHLNS 1kkjA 300 :GFTLVS T0339 322 :PGTQ 1kkjA 306 :GGTD T0339 328 :PNTCNFSIRGPRLQGHVVLAQCRV 1kkjA 310 :NHLLLVDLRPQQLTGKTAEKVLDE T0339 352 :LMASVGAACHSDHGDQP 1kkjA 336 :ITVNKNTIPYDPESPFV T0339 383 :RNALRLSV 1kkjA 353 :TSGIRIGT T0339 391 :GRSTTRAEVDLVVQDLKQA 1kkjA 365 :TRGFGLEEMDEIAAIIGLV T0339 410 :VAQLED 1kkjA 393 :LEEARQ Number of specific fragments extracted= 32 number of extra gaps= 2 total=1560 Number of alignments=71 # 1kkjA read from 1kkjA/merged-good-all-a2m # found chain 1kkjA in template set Warning: unaligning (T0339)L167 because of BadResidue code BAD_PEPTIDE in next template residue (1kkjA)A170 Warning: unaligning (T0339)A168 because of BadResidue code BAD_PEPTIDE at template residue (1kkjA)A170 Warning: unaligning (T0339)L255 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1kkjA)P252 Warning: unaligning (T0339)F256 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1kkjA)P252 T0339 9 :NATTPLEPEVIQAM 1kkjA 30 :ASENFVSRAVMEAQ T0339 29 :AWGNPS 1kkjA 52 :AEGYPG T0339 35 :SPYSAGRKAKDIINAARESLAKMIGG 1kkjA 59 :RYYGGCEYVDIVEELARERAKQLFGA T0339 65 :IIFTSGGTESNNLVIHSV 1kkjA 88 :NVQPHSGAQANMAVYFTV T0339 104 :KGAKPHFITSSVEHDSIRLP 1kkjA 106 :LEHGDTVLGMNLSHGGHLTH T0339 124 :LEHL 1kkjA 132 :SGVQ T0339 133 :AAVTFVPVSKVSGQTEVDDILAAV 1kkjA 136 :YNFVAYGVDPETHVIDYDDVREKA T0339 161 :R 1kkjA 165 :K T0339 164 :TIM 1kkjA 166 :LIV T0339 169 :NNETGIVMPVPEISQRIKA 1kkjA 171 :ASAYPRIIDFAKFREIADE T0339 198 :PPILVHTDAAQ 1kkjA 190 :VGAYLMVDMAH T0339 209 :ALGKQRVDVE 1kkjA 206 :AAGLHPNPVP T0339 221 :GVDFLTIVGHKFYGPR 1kkjA 216 :YAHFVTTTTHKTLRGP T0339 237 :IGALYIRGLGEFTPLYPM 1kkjA 233 :GGMILCQEQFAKQIDKAI T0339 257 :GG 1kkjA 253 :GI T0339 266 :PGTENTPMIAGLGKAAELVT 1kkjA 255 :QGGPLMHVIAAKAVAFGEAL T0339 286 :QNCEAYEAHMRDVRDYLEERLEA 1kkjA 276 :DDFKAYAKRVVDNAKRLASALQN T0339 310 :FGQKRIH 1kkjA 299 :EGFTLVS T0339 322 :PGTQRLPNTCNFSIRGPRLQGHVVLAQCRVLMASVGAACHSDHG 1kkjA 306 :GGTDNHLLLVDLRPQQLTGKTAEKVLDEVGITVNKNTIPYDPES T0339 380 :DVARNALRLSVG 1kkjA 350 :PFVTSGIRIGTA T0339 392 :RSTTRAEVDLVVQDLK 1kkjA 366 :RGFGLEEMDEIAAIIG T0339 408 :QAVAQLED 1kkjA 391 :QALEEARQ Number of specific fragments extracted= 22 number of extra gaps= 2 total=1582 Number of alignments=72 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1jg8A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1jg8A expands to /projects/compbio/data/pdb/1jg8.pdb.gz 1jg8A:Bad short name: N1 for alphabet: pdb_atoms Bad short name: C2 for alphabet: pdb_atoms Bad short name: C2' for alphabet: pdb_atoms Bad short name: C3 for alphabet: pdb_atoms Bad short name: O3 for alphabet: pdb_atoms Bad short name: C4 for alphabet: pdb_atoms Bad short name: C4' for alphabet: pdb_atoms Bad short name: C5 for alphabet: pdb_atoms Bad short name: C6 for alphabet: pdb_atoms Bad short name: C5' for alphabet: pdb_atoms Bad short name: OP4 for alphabet: pdb_atoms Bad short name: P for alphabet: pdb_atoms Bad short name: OP1 for alphabet: pdb_atoms Bad short name: OP2 for alphabet: pdb_atoms Bad short name: OP3 for alphabet: pdb_atoms # T0339 read from 1jg8A/merged-good-all-a2m # 1jg8A read from 1jg8A/merged-good-all-a2m # adding 1jg8A to template set # found chain 1jg8A in template set Warning: unaligning (T0339)K3 because first residue in template chain is (1jg8A)M5 Warning: unaligning (T0339)L167 because of BadResidue code BAD_PEPTIDE in next template residue (1jg8A)T141 Warning: unaligning (T0339)A168 because of BadResidue code BAD_PEPTIDE at template residue (1jg8A)T141 Warning: unaligning (T0339)H230 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1jg8A)G204 Warning: unaligning (T0339)F232 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1jg8A)G204 T0339 4 :VYMDYNATTPLEPEVIQA 1jg8A 6 :IDLRSDTVTKPTEEMRKA T0339 27 :WEAWGNPSSPYSAG 1jg8A 24 :MAQAEVGDDVYGED T0339 45 :DIINAARESLAKMIGGKP 1jg8A 38 :PTINELERLAAETFGKEA T0339 65 :IIFTSGGTESNNLVIHSVV 1jg8A 56 :ALFVPSGTMGNQVSIMAHT T0339 105 :GAKPHFITSSVEH 1jg8A 75 :QRGDEVILEADSH T0339 120 :IRL 1jg8A 88 :IFW T0339 123 :PLEHL 1jg8A 95 :AMAVL T0339 131 :QVAAVTFVPVS 1jg8A 100 :SGVMPHPVPGK T0339 144 :SGQTEVDDILAAVRP 1jg8A 111 :NGAMDPDDVRKAIRP T0339 160 :TRLVTIM 1jg8A 133 :TSLIAIE T0339 169 :NNET 1jg8A 142 :HNRS T0339 173 :GIVMP 1jg8A 147 :GRVVP T0339 178 :VPEISQRIKALN 1jg8A 155 :IKEICTIAKEHG T0339 200 :ILVHTDAAQALG 1jg8A 167 :INVHIDGARIFN T0339 214 :RVDVEDL 1jg8A 184 :GVPVKEY T0339 221 :GVDFLTIVG 1jg8A 193 :YADSVMFCL T0339 233 :Y 1jg8A 205 :L T0339 234 :GPR 1jg8A 207 :APV T0339 238 :GALYIRGLGEF 1jg8A 210 :GSVVVGDRDFI T0339 256 :FGGGQ 1jg8A 230 :LGGGM T0339 268 :TENTPMIAGLGKAAELVTQNCEAYEAHMRDVRDYLEER 1jg8A 235 :RQAGVLAAAGIIALTKMVDRLKEDHENARFLALKLKEI T0339 311 :G 1jg8A 273 :G T0339 315 :IHL 1jg8A 274 :YSV T0339 322 :PGTQRLPNTCNFSIRGPRLQGHVVLAQCRV 1jg8A 277 :NPEDVKTNMVILRTDNLKVNAHGFIEALRN T0339 352 :LMASV 1jg8A 309 :VLANA T0339 381 :VARNALRLSVGRSTTRAEVDLVVQDLKQAVAQL 1jg8A 314 :VSDTEIRLVTHKDVSRNDIEEALNIFEKLFRKF Number of specific fragments extracted= 26 number of extra gaps= 1 total=1608 Number of alignments=73 # 1jg8A read from 1jg8A/merged-good-all-a2m # found chain 1jg8A in template set Warning: unaligning (T0339)K3 because first residue in template chain is (1jg8A)M5 Warning: unaligning (T0339)L167 because of BadResidue code BAD_PEPTIDE in next template residue (1jg8A)T141 Warning: unaligning (T0339)A168 because of BadResidue code BAD_PEPTIDE at template residue (1jg8A)T141 Warning: unaligning (T0339)H230 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1jg8A)G204 T0339 4 :VYMDYNATTPLEPEVIQAMT 1jg8A 6 :IDLRSDTVTKPTEEMRKAMA T0339 33 :PSSPYSAGRKAKDIINAARESLAKMIGG 1jg8A 26 :QAEVGDDVYGEDPTINELERLAAETFGK T0339 63 :QDIIFTSGGTESNNLVIHSV 1jg8A 54 :EAALFVPSGTMGNQVSIMAH T0339 91 :TSKGH 1jg8A 74 :TQRGD T0339 109 :HFITSSVEHDSIR 1jg8A 79 :EVILEADSHIFWY T0339 122 :LPLEHL 1jg8A 95 :AMAVLS T0339 132 :VAAVTFVPVS 1jg8A 101 :GVMPHPVPGK T0339 144 :SGQTEVDDILAAVRPT 1jg8A 111 :NGAMDPDDVRKAIRPR T0339 160 :TRLVTIM 1jg8A 133 :TSLIAIE T0339 169 :NNE 1jg8A 142 :HNR T0339 172 :TGIVMPVPEISQ 1jg8A 146 :GGRVVPLENIKE T0339 185 :IKALNQER 1jg8A 158 :ICTIAKEH T0339 199 :PILVHTDAAQ 1jg8A 166 :GINVHIDGAR T0339 209 :ALGKQRVDVEDL 1jg8A 179 :ASIASGVPVKEY T0339 221 :GVDFLTIVG 1jg8A 193 :YADSVMFCL T0339 232 :FYGPRIGALYIR 1jg8A 205 :LCAPVGSVVVGD T0339 244 :GLGEFTPLYPMLFGG 1jg8A 218 :DFIERARKARKMLGG T0339 266 :PGTENTPMIAGLGKAAELVTQNCEAYEAHMRDVRDYLEER 1jg8A 233 :GMRQAGVLAAAGIIALTKMVDRLKEDHENARFLALKLKEI T0339 314 :RIHLNSQ 1jg8A 273 :GYSVNPE T0339 325 :QRLPNTCNFSIRGPRLQGHVVLAQCRV 1jg8A 280 :DVKTNMVILRTDNLKVNAHGFIEALRN T0339 352 :LMASVGA 1jg8A 309 :VLANAVS T0339 383 :RNALRLSVGRSTTRAEVDLVVQDLKQAVAQL 1jg8A 316 :DTEIRLVTHKDVSRNDIEEALNIFEKLFRKF Number of specific fragments extracted= 22 number of extra gaps= 1 total=1630 Number of alignments=74 # 1jg8A read from 1jg8A/merged-good-all-a2m # found chain 1jg8A in template set Warning: unaligning (T0339)K3 because first residue in template chain is (1jg8A)M5 Warning: unaligning (T0339)L167 because of BadResidue code BAD_PEPTIDE in next template residue (1jg8A)T141 Warning: unaligning (T0339)A168 because of BadResidue code BAD_PEPTIDE at template residue (1jg8A)T141 Warning: unaligning (T0339)H230 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1jg8A)G204 Warning: unaligning (T0339)F232 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1jg8A)G204 T0339 4 :VYMDYNATTPLEPEVIQAMT 1jg8A 6 :IDLRSDTVTKPTEEMRKAMA T0339 29 :AWGNPSSPYSAG 1jg8A 26 :QAEVGDDVYGED T0339 45 :DIINAARESLAKMIGG 1jg8A 38 :PTINELERLAAETFGK T0339 64 :DIIFTSGGTESNNLVIHSV 1jg8A 55 :AALFVPSGTMGNQVSIMAH T0339 104 :KGAKPHFITSSVEHDSIR 1jg8A 74 :TQRGDEVILEADSHIFWY T0339 123 :PLEHL 1jg8A 95 :AMAVL T0339 131 :QVAAVTFVPVS 1jg8A 100 :SGVMPHPVPGK T0339 144 :SGQTEVDDILAAV 1jg8A 111 :NGAMDPDDVRKAI T0339 157 :RPT 1jg8A 127 :NIH T0339 160 :TRLVTIM 1jg8A 133 :TSLIAIE T0339 169 :NNET 1jg8A 142 :HNRS T0339 173 :GIVMP 1jg8A 147 :GRVVP T0339 178 :VPEISQRIKA 1jg8A 155 :IKEICTIAKE T0339 198 :PPILVHTDAAQ 1jg8A 165 :HGINVHIDGAR T0339 209 :ALG 1jg8A 181 :IAS T0339 214 :RVDVEDL 1jg8A 184 :GVPVKEY T0339 221 :GVDFLTIVG 1jg8A 193 :YADSVMFCL T0339 233 :YGPR 1jg8A 205 :LCAP T0339 237 :IGALYIRGLGEFTPLYPMLFGGG 1jg8A 210 :GSVVVGDRDFIERARKARKMLGG T0339 266 :PGTENTPMIAGLGKAAELVTQNCEAYEAHMRDVRDYLEER 1jg8A 233 :GMRQAGVLAAAGIIALTKMVDRLKEDHENARFLALKLKEI T0339 311 :G 1jg8A 273 :G T0339 315 :IH 1jg8A 274 :YS T0339 321 :FPGTQRLPNTCNFSIRG 1jg8A 276 :VNPEDVKTNMVILRTDN T0339 338 :PRLQGHVVLAQCRVLMASVG 1jg8A 295 :VNAHGFIEALRNSGVLANAV T0339 382 :ARNALRLSVGRSTTRAEVDLVVQDLKQAVAQL 1jg8A 315 :SDTEIRLVTHKDVSRNDIEEALNIFEKLFRKF Number of specific fragments extracted= 25 number of extra gaps= 1 total=1655 Number of alignments=75 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2ctzA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments Warning: Couldn't open file /projects/compbio/experiments/protein-predict/casp7/T0339/2ctzA/merged-good-all-a2m or /projects/compbio/experiments/protein-predict/casp7/T0339/2ctzA/merged-good-all-a2m.gz for input Trying 2ctzA/merged-good-all-a2m Error: Couldn't open file 2ctzA/merged-good-all-a2m or 2ctzA/merged-good-all-a2m.gz for input # Reading fragments from alignment file # Attempting to read fragment alignments from file 1gdeA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1gdeA expands to /projects/compbio/data/pdb/1gde.pdb.gz 1gdeA:# T0339 read from 1gdeA/merged-good-all-a2m # 1gdeA read from 1gdeA/merged-good-all-a2m # adding 1gdeA to template set # found chain 1gdeA in template set T0339 2 :RKVYMDYNATT 1gdeA 27 :DVISLGIGEPD T0339 13 :PLEPEVIQAMTKA 1gdeA 39 :DTPQHIKEYAKEA T0339 27 :WEAWGNPSSPYSA 1gdeA 52 :LDKGLTHYGPNIG T0339 43 :AKDIINAARESLAKMIGG 1gdeA 65 :LLELREAIAEKLKKQNGI T0339 61 :KPQ 1gdeA 85 :DPK T0339 64 :DIIFTSGGTESNNLVIHSVV 1gdeA 89 :EIMVLLGANQAFLMGLSAFL T0339 105 :GAKPHFITSSVEHDSIRLPLEHL 1gdeA 109 :KDGEEVLIPTPAFVSYAPAVILA T0339 132 :VAAVTFVPVSKVSG 1gdeA 132 :GGKPVEVPTYEEDE T0339 146 :QTEVDDILAAVRPTTRLVTIMLANNETGIVMP 1gdeA 147 :RLNVDELKKYVTDKTRALIINSPCNPTGAVLT T0339 178 :VPEISQRIKALN 1gdeA 182 :LEEIADFVVEHD T0339 200 :ILVHTDAAQALGKQ 1gdeA 194 :LIVISDEVYEHFIY T0339 214 :RVDVEDLG 1gdeA 212 :HYSIASLD T0339 223 :DFLTIVGHKFYGP 1gdeA 225 :TITVNGFSKTFAM T0339 236 :R 1gdeA 239 :G T0339 237 :IGALYIRG 1gdeA 242 :LGFVAAPS T0339 246 :GEFTPLYPMLF 1gdeA 250 :WIIERMVKFQM T0339 265 :RPG 1gdeA 261 :YNA T0339 268 :TENTPMIAGLGKAA 1gdeA 265 :CPVTFIQYAAAKAL T0339 282 :ELVTQNCEAYEAHMRDVRDYLEERLEAE 1gdeA 281 :ERSWKAVEEMRKEYDRRRKLVWKRLNEM T0339 311 :G 1gdeA 309 :G T0339 315 :IHLNSQ 1gdeA 310 :LPTVKP T0339 326 :RLPNTCNFSIRGPRLQGHVVLAQCRV 1gdeA 316 :KGAFYIFPRIRDTGLTSKKFSELMLK T0339 352 :LMASVGAACH 1gdeA 345 :VAVVPGSAFG T0339 380 :DVARNALRLSVGR 1gdeA 355 :KAGEGYVRISYAT T0339 395 :TRAEVDLVVQDLKQAVAQ 1gdeA 368 :AYEKLEEAMDRMERVLKE Number of specific fragments extracted= 25 number of extra gaps= 0 total=1680 Number of alignments=76 # 1gdeA read from 1gdeA/merged-good-all-a2m # found chain 1gdeA in template set T0339 1 :ERKVYMDYNATTP 1gdeA 26 :KDVISLGIGEPDF T0339 14 :LEPEVIQAMTKAMWE 1gdeA 40 :TPQHIKEYAKEALDK T0339 33 :PSSPYSAGRKAKDIINAARESLAKMIG 1gdeA 55 :GLTHYGPNIGLLELREAIAEKLKKQNG T0339 60 :GKPQ 1gdeA 84 :ADPK T0339 64 :DIIFTSGGTESNNLVIHSV 1gdeA 89 :EIMVLLGANQAFLMGLSAF T0339 91 :TSKGH 1gdeA 108 :LKDGE T0339 109 :HFITSSVEHDSIRLPLEHL 1gdeA 113 :EVLIPTPAFVSYAPAVILA T0339 132 :VAAVTFVPVSKV 1gdeA 132 :GGKPVEVPTYEE T0339 144 :SGQTEVDDILAAVRPTTRLVTIMLANNETGIVMPVPEISQ 1gdeA 145 :EFRLNVDELKKYVTDKTRALIINSPCNPTGAVLTKKDLEE T0339 185 :IKALNQER 1gdeA 185 :IADFVVEH T0339 199 :PILVHTDAAQALGKQR 1gdeA 193 :DLIVISDEVYEHFIYD T0339 215 :VD 1gdeA 212 :HY T0339 217 :VEDL 1gdeA 215 :IASL T0339 221 :GV 1gdeA 220 :GM T0339 223 :DFLTIVGHK 1gdeA 225 :TITVNGFSK T0339 232 :FY 1gdeA 235 :FA T0339 234 :GPRIGALYIR 1gdeA 239 :GWRLGFVAAP T0339 244 :GLGEFTPLYPMLF 1gdeA 250 :WIIERMVKFQMYN T0339 266 :PGTENTPMIAGLGKAAE 1gdeA 263 :ATCPVTFIQYAAAKALK T0339 283 :LVTQNCEAYEAHMRDVRDYLEERLEAE 1gdeA 282 :RSWKAVEEMRKEYDRRRKLVWKRLNEM T0339 314 :RIHLNSQFP 1gdeA 309 :GLPTVKPKG T0339 328 :PNTCNFSIRGPRLQGHVVLAQCRV 1gdeA 318 :AFYIFPRIRDTGLTSKKFSELMLK T0339 352 :LMASVGAACH 1gdeA 345 :VAVVPGSAFG T0339 380 :DVARNALRLS 1gdeA 355 :KAGEGYVRIS T0339 392 :RSTTRAEVDLVVQDLKQAVAQL 1gdeA 365 :YATAYEKLEEAMDRMERVLKER Number of specific fragments extracted= 25 number of extra gaps= 0 total=1705 Number of alignments=77 # 1gdeA read from 1gdeA/merged-good-all-a2m # found chain 1gdeA in template set T0339 4 :VYMDYNATT 1gdeA 29 :ISLGIGEPD T0339 13 :PLEPEVIQAMTKAMWEAWGNPS 1gdeA 39 :DTPQHIKEYAKEALDKGLTHYG T0339 35 :SPY 1gdeA 62 :NIG T0339 43 :AKDIINAARESLAKMIGG 1gdeA 65 :LLELREAIAEKLKKQNGI T0339 61 :KPQD 1gdeA 85 :DPKT T0339 65 :IIFTSGGTESNNLVIHSV 1gdeA 90 :IMVLLGANQAFLMGLSAF T0339 104 :KGAKPHFITSSVEHDSIRLPLEHL 1gdeA 108 :LKDGEEVLIPTPAFVSYAPAVILA T0339 132 :VAAVTFVPVS 1gdeA 132 :GGKPVEVPTY T0339 142 :KVSGQTEVDDILAAVRPTTRLVTIMLANNETGIVMP 1gdeA 143 :EDEFRLNVDELKKYVTDKTRALIINSPCNPTGAVLT T0339 178 :VPEISQRIKA 1gdeA 182 :LEEIADFVVE T0339 198 :PPILVHTDAAQ 1gdeA 192 :HDLIVISDEVY T0339 209 :ALGKQRVD 1gdeA 204 :HFIYDDAR T0339 217 :VEDLGV 1gdeA 216 :ASLDGM T0339 223 :DFLTIVGHKFYGPR 1gdeA 225 :TITVNGFSKTFAMT T0339 237 :IGALYIRGLGEFTPLYPMLFG 1gdeA 242 :LGFVAAPSWIIERMVKFQMYN T0339 266 :PGTENTPMIAGLGKAAELVT 1gdeA 263 :ATCPVTFIQYAAAKALKDER T0339 286 :QNCEAYEAHMRDVRDYLEERLEAEFGQKRIH 1gdeA 285 :KAVEEMRKEYDRRRKLVWKRLNEMGLPTVKP T0339 326 :RLPNTCNFSIR 1gdeA 316 :KGAFYIFPRIR T0339 337 :GPRLQGHVVLAQ 1gdeA 329 :GLTSKKFSELML T0339 349 :CRVLMASVGAACH 1gdeA 342 :EARVAVVPGSAFG T0339 380 :DVARNALRLSVG 1gdeA 355 :KAGEGYVRISYA T0339 394 :TTRAEVDLVVQDLKQAVAQ 1gdeA 367 :TAYEKLEEAMDRMERVLKE Number of specific fragments extracted= 22 number of extra gaps= 0 total=1727 Number of alignments=78 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1n8pA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments Warning: Couldn't open file /projects/compbio/experiments/protein-predict/casp7/T0339/1n8pA/merged-good-all-a2m or /projects/compbio/experiments/protein-predict/casp7/T0339/1n8pA/merged-good-all-a2m.gz for input Trying 1n8pA/merged-good-all-a2m Error: Couldn't open file 1n8pA/merged-good-all-a2m or 1n8pA/merged-good-all-a2m.gz for input # Reading fragments from alignment file # Attempting to read fragment alignments from file 1vefA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1vefA expands to /projects/compbio/data/pdb/1vef.pdb.gz 1vefA:# T0339 read from 1vefA/merged-good-all-a2m # 1vefA read from 1vefA/merged-good-all-a2m # adding 1vefA to template set # found chain 1vefA in template set T0339 6 :MDY 1vefA 48 :IDC T0339 9 :NATTPLEPEVIQAMTKAMWEAWGNPSSP 1vefA 57 :ANLGHGNPEVVEAVKRQAETLMAMPQTL T0339 37 :Y 1vefA 86 :T T0339 45 :DIINAARESLAKMI 1vefA 87 :PMRGEFYRTLTAIL T0339 62 :PQ 1vefA 101 :PP T0339 64 :DIIFTSGGTESNNLVIHSVVKHF 1vefA 106 :RVFPVNSGTEANEAALKFARAHT T0339 106 :AKPHFITSSVEHDSIRLPLEHL 1vefA 129 :GRKKFVAAMRGFSGRTMGSLSV T0339 128 :VEEQ 1vefA 157 :REPF T0339 135 :VTFVPVS 1vefA 167 :VEFIPYN T0339 148 :EVDDILAAVRPTTRLVTIMLANNETGIVMP 1vefA 174 :DVEALKRAVDEETAAVILEPVQGEGGVRPA T0339 178 :VPEISQRIKALN 1vefA 208 :LRAAREITQEKG T0339 200 :ILVHTDAAQALG 1vefA 220 :ALLILDEIQTGM T0339 212 :KQ 1vefA 236 :KR T0339 217 :VEDLGV 1vefA 240 :FEHFGI T0339 223 :DFLTIVGHKFYGPRIGALYIRG 1vefA 248 :DILTLAKALGGGVPLGVAVMRE T0339 246 :G 1vefA 270 :E T0339 251 :LYPMLFGGGQERNF 1vefA 271 :VARSMPKGGHGTTF T0339 268 :TENTPMIAGLGKAAELVTQ 1vefA 285 :GGNPLAMAAGVAAIRYLER T0339 291 :YEAHMRDVRDYLEERLEAE 1vefA 306 :LWERAAELGPWFMEKLRAI T0339 310 :FG 1vefA 327 :PK T0339 315 :IH 1vefA 329 :IR T0339 323 :GTQRLPNTCNFSIR 1vefA 331 :EVRGMGLMVGLELK T0339 340 :LQGHVVLAQCRV 1vefA 345 :EKAAPYIARLEK T0339 352 :LMAS 1vefA 361 :LALQ T0339 381 :VARNALRLSVGRSTTRAEVDLVVQDLKQAV 1vefA 365 :AGPTVIRFLPPLVIEKEDLERVVEAVRAVL Number of specific fragments extracted= 25 number of extra gaps= 0 total=1752 Number of alignments=79 # 1vefA read from 1vefA/merged-good-all-a2m # found chain 1vefA in template set T0339 1 :ERKVYMDYNA 1vefA 43 :EGNEYIDCVG T0339 11 :TTPLEPEVIQAMTKAMWEAWGNPSSP 1vefA 59 :LGHGNPEVVEAVKRQAETLMAMPQTL T0339 41 :R 1vefA 85 :P T0339 44 :KDIINAARESLAKMIG 1vefA 86 :TPMRGEFYRTLTAILP T0339 60 :G 1vefA 104 :L T0339 63 :QDIIFTSGGTESNNLVIHSVVKHF 1vefA 105 :NRVFPVNSGTEANEAALKFARAHT T0339 93 :KGH 1vefA 129 :GRK T0339 109 :HFITSSVEHDSIRLPLEHLV 1vefA 132 :KFVAAMRGFSGRTMGSLSVT T0339 129 :EEQ 1vefA 158 :EPF T0339 132 :VA 1vefA 162 :PL T0339 134 :AVTFVPVS 1vefA 166 :PVEFIPYN T0339 148 :EVDDILAAVRPTTRLVTIMLANNETGIVMPVPEISQRIKALNQER 1vefA 174 :DVEALKRAVDEETAAVILEPVQGEGGVRPATPEFLRAAREITQEK T0339 199 :PILVHTDAAQ 1vefA 219 :GALLILDEIQ T0339 209 :ALGKQRVD 1vefA 230 :GMGRTGKR T0339 217 :VEDLGV 1vefA 240 :FEHFGI T0339 223 :DFLTIV 1vefA 248 :DILTLA T0339 231 :K 1vefA 254 :K T0339 232 :FY 1vefA 256 :LG T0339 234 :GPRIGALYIR 1vefA 259 :GVPLGVAVMR T0339 244 :GLGEFTP 1vefA 270 :EVARSMP T0339 252 :YPMLFG 1vefA 277 :KGGHGT T0339 266 :PGTENTPMIAGLGKAAELVTQ 1vefA 283 :TFGGNPLAMAAGVAAIRYLER T0339 289 :EAYEAHMRDVRDYLEERLEA 1vefA 304 :TRLWERAAELGPWFMEKLRA T0339 310 :FGQKRI 1vefA 324 :IPSPKI T0339 322 :PGTQRLPNTCNFSIR 1vefA 330 :REVRGMGLMVGLELK T0339 340 :LQGHVVLAQCRV 1vefA 345 :EKAAPYIARLEK T0339 352 :LMASVGA 1vefA 360 :VLALQAG T0339 383 :RNALRLSVGRSTTRAEVDLVVQDLKQAV 1vefA 367 :PTVIRFLPPLVIEKEDLERVVEAVRAVL Number of specific fragments extracted= 28 number of extra gaps= 0 total=1780 Number of alignments=80 # 1vefA read from 1vefA/merged-good-all-a2m # found chain 1vefA in template set T0339 9 :NATTPLEPEVIQAMTKAMWEAWGNPSSPYS 1vefA 57 :ANLGHGNPEVVEAVKRQAETLMAMPQTLPT T0339 45 :DIINAARESLAKMI 1vefA 87 :PMRGEFYRTLTAIL T0339 62 :PQD 1vefA 101 :PPE T0339 65 :IIFTSGGTESNNLVIHSVV 1vefA 107 :VFPVNSGTEANEAALKFAR T0339 103 :VKGAKPHFITSSVEHDSIRLPLEHL 1vefA 126 :AHTGRKKFVAAMRGFSGRTMGSLSV T0339 135 :VTFVPVS 1vefA 167 :VEFIPYN T0339 148 :EVDDILAAVRPTTRLVTIMLANNETGIVMP 1vefA 174 :DVEALKRAVDEETAAVILEPVQGEGGVRPA T0339 178 :VPEISQRIKA 1vefA 208 :LRAAREITQE T0339 198 :PPILVHTDAAQALGKQRVD 1vefA 218 :KGALLILDEIQTGMGRTGK T0339 217 :VEDLGV 1vefA 240 :FEHFGI T0339 223 :DFLTIVGHKFYGPRIGALYIRGLGEFTPL 1vefA 248 :DILTLAKALGGGVPLGVAVMREEVARSMP T0339 254 :MLFGGG 1vefA 277 :KGGHGT T0339 266 :PGTENTPMIAGLGKAAELVT 1vefA 283 :TFGGNPLAMAAGVAAIRYLE T0339 290 :AYEAHMRDVRDYLEERLEAEFG 1vefA 305 :RLWERAAELGPWFMEKLRAIPS T0339 312 :QK 1vefA 330 :RE T0339 324 :TQRLPNTCNFSIRGPRLQGHVVLAQCRVLMASV 1vefA 332 :VRGMGLMVGLELKEKAAPYIARLEKEHRVLALQ T0339 381 :VARNALRLSVGRSTTRAEVDLVVQDLKQAV 1vefA 365 :AGPTVIRFLPPLVIEKEDLERVVEAVRAVL Number of specific fragments extracted= 17 number of extra gaps= 0 total=1797 Number of alignments=81 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1yiyA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1yiyA expands to /projects/compbio/data/pdb/1yiy.pdb.gz 1yiyA:# T0339 read from 1yiyA/merged-good-all-a2m # 1yiyA read from 1yiyA/merged-good-all-a2m # adding 1yiyA to template set # found chain 1yiyA in template set Warning: unaligning (T0339)P33 because of BadResidue code BAD_PEPTIDE in next template residue (1yiyA)R75 Warning: unaligning (T0339)S34 because of BadResidue code BAD_PEPTIDE at template residue (1yiyA)R75 Warning: unaligning (T0339)G105 because of BadResidue code BAD_PEPTIDE in next template residue (1yiyA)E124 Warning: unaligning (T0339)A106 because of BadResidue code BAD_PEPTIDE at template residue (1yiyA)E124 Warning: unaligning (T0339)Q213 because of BadResidue code BAD_PEPTIDE in next template residue (1yiyA)E230 T0339 2 :RKVYMDYNATT 1yiyA 38 :KPLNLGQGFPD T0339 13 :PLEPEVIQAMTKAM 1yiyA 50 :HAPKYALNALAAAA T0339 29 :AWGN 1yiyA 70 :ANQY T0339 35 :SP 1yiyA 76 :GF T0339 39 :A 1yiyA 78 :G T0339 43 :AKDIINAARESLAKMIGG 1yiyA 79 :HPRLVQALSKLYSQLVDR T0339 61 :KPQ 1yiyA 99 :NPM T0339 64 :DIIFTSGGTESNNLVIHSVV 1yiyA 103 :EVLVTVGAYEALYATIQGHV T0339 107 :KPHFITSSVEHDSIRLPL 1yiyA 125 :GDEVIIIEPFFDCYEPMV T0339 129 :EEQVAAVTFVPV 1yiyA 143 :KAAGGIPRFIPL T0339 141 :SKVSGQ 1yiyA 157 :NKTGGT T0339 147 :TEVDDILAAVRPTTRLVTIMLANNETGIVMP 1yiyA 170 :LDNNELEALFNEKTKMIIINTPHNPLGKVMD T0339 178 :VPEISQRIKALN 1yiyA 204 :LEVVANLCKKWN T0339 200 :ILVHTDAAQALGK 1yiyA 216 :VLCVSDEVYEHMV T0339 214 :RVD 1yiyA 234 :HIR T0339 217 :V 1yiyA 238 :C T0339 219 :DLG 1yiyA 239 :TLP T0339 223 :DFLTIVGHKFYGP 1yiyA 247 :TITIGSAGKTFSL T0339 236 :R 1yiyA 261 :G T0339 237 :IGALYIRG 1yiyA 264 :IGWAYGPE T0339 246 :GEF 1yiyA 272 :ALL T0339 266 :PGTENTPMIAGLGKAAELVTQ 1yiyA 285 :VYTCATPIQEAIAVGFETELK T0339 287 :NCEAYEAHMRDVRDYLEERLEAE 1yiyA 313 :YFNSISGELMAKRDYMASFLAEV T0339 311 :G 1yiyA 336 :G T0339 315 :IHLNSQ 1yiyA 337 :MNPTVP T0339 326 :RLPNTCNFSI 1yiyA 343 :QGGYFMVADW T0339 336 :RGPRLQGHVVLAQCRVLMASVG 1yiyA 364 :ETDARKDYRFTKWMTKSVGLQG T0339 358 :AACHSDH 1yiyA 389 :SAFYSEP T0339 378 :PFDVARNALRLSVGR 1yiyA 396 :NKHLGEDFVRYCFFK T0339 395 :TRAEVDLVVQDLKQAV 1yiyA 411 :KDENLQKAAEILRKWK Number of specific fragments extracted= 30 number of extra gaps= 3 total=1827 Number of alignments=82 # 1yiyA read from 1yiyA/merged-good-all-a2m # found chain 1yiyA in template set Warning: unaligning (T0339)G40 because of BadResidue code BAD_PEPTIDE in next template residue (1yiyA)R75 Warning: unaligning (T0339)R41 because of BadResidue code BAD_PEPTIDE at template residue (1yiyA)R75 Warning: unaligning (T0339)S92 because of BadResidue code BAD_PEPTIDE in next template residue (1yiyA)E124 Warning: unaligning (T0339)K93 because of BadResidue code BAD_PEPTIDE at template residue (1yiyA)E124 Warning: unaligning (T0339)Q213 because of BadResidue code BAD_PEPTIDE in next template residue (1yiyA)E230 Warning: unaligning (T0339)R214 because of BadResidue code BAD_PEPTIDE at template residue (1yiyA)E230 T0339 2 :RKVYMDYNATT 1yiyA 38 :KPLNLGQGFPD T0339 13 :PLEPEVIQAMTKA 1yiyA 50 :HAPKYALNALAAA T0339 30 :WGNPSSP 1yiyA 63 :ANSPDPL T0339 37 :YSA 1yiyA 71 :NQY T0339 42 :KAKDIINAARESLAKMIGGKPQ 1yiyA 78 :GHPRLVQALSKLYSQLVDRTIN T0339 64 :DIIFTSGGTESNNLVIHSV 1yiyA 103 :EVLVTVGAYEALYATIQGH T0339 91 :T 1yiyA 122 :V T0339 94 :GH 1yiyA 125 :GD T0339 109 :HFITSSVEHDSIRLPLEHL 1yiyA 127 :EVIIIEPFFDCYEPMVKAA T0339 132 :VAAVTFVPVSKV 1yiyA 146 :GGIPRFIPLKPN T0339 144 :SGQT 1yiyA 160 :GGTI T0339 148 :EVDDILAAVRPTTRLVTIMLANNETGIVMPVPEISQ 1yiyA 171 :DNNELEALFNEKTKMIIINTPHNPLGKVMDRAELEV T0339 185 :IKALNQER 1yiyA 207 :VANLCKKW T0339 199 :PILVHTDAAQALGK 1yiyA 215 :NVLCVSDEVYEHMV T0339 215 :V 1yiyA 235 :I T0339 217 :VEDL 1yiyA 237 :ICTL T0339 221 :GV 1yiyA 242 :GM T0339 223 :DFLTIVGHK 1yiyA 247 :TITIGSAGK T0339 232 :FY 1yiyA 257 :FS T0339 234 :GPRIGALYIR 1yiyA 261 :GWKIGWAYGP T0339 244 :GLGEFTPLYPMLF 1yiyA 272 :ALLKNLQMVHQNC T0339 266 :PGTENTPMIAGLGKAAELVTQ 1yiyA 285 :VYTCATPIQEAIAVGFETELK T0339 287 :NCEAYEAHMRDVRDYLEERLEAE 1yiyA 313 :YFNSISGELMAKRDYMASFLAEV T0339 314 :RIHLNSQFP 1yiyA 336 :GMNPTVPQG T0339 328 :PNTCNFSIRGPR 1yiyA 345 :GYFMVADWSSLD T0339 340 :LQGHVVLAQCRV 1yiyA 368 :RKDYRFTKWMTK T0339 352 :LMASVGAACHSDH 1yiyA 383 :LQGIPPSAFYSEP T0339 378 :PFDVARNALRLSVGR 1yiyA 396 :NKHLGEDFVRYCFFK T0339 395 :TRAEVDLVVQDLKQAV 1yiyA 411 :KDENLQKAAEILRKWK Number of specific fragments extracted= 29 number of extra gaps= 3 total=1856 Number of alignments=83 # 1yiyA read from 1yiyA/merged-good-all-a2m # found chain 1yiyA in template set Warning: unaligning (T0339)S38 because of BadResidue code BAD_PEPTIDE in next template residue (1yiyA)R75 Warning: unaligning (T0339)A39 because of BadResidue code BAD_PEPTIDE at template residue (1yiyA)R75 Warning: unaligning (T0339)G105 because of BadResidue code BAD_PEPTIDE in next template residue (1yiyA)E124 Warning: unaligning (T0339)A106 because of BadResidue code BAD_PEPTIDE at template residue (1yiyA)E124 Warning: unaligning (T0339)K212 because of BadResidue code BAD_PEPTIDE in next template residue (1yiyA)E230 Warning: unaligning (T0339)Q213 because of BadResidue code BAD_PEPTIDE at template residue (1yiyA)E230 T0339 2 :RKVYMDYNATT 1yiyA 38 :KPLNLGQGFPD T0339 13 :PLEPEVIQAMTKA 1yiyA 50 :HAPKYALNALAAA T0339 28 :EAWGNPS 1yiyA 63 :ANSPDPL T0339 35 :SPY 1yiyA 71 :NQY T0339 40 :GRKAKDIINAARESLAKMIGG 1yiyA 76 :GFGHPRLVQALSKLYSQLVDR T0339 61 :KP 1yiyA 99 :NP T0339 63 :QDIIFTSGGTESNNLVIHSV 1yiyA 102 :TEVLVTVGAYEALYATIQGH T0339 104 :K 1yiyA 122 :V T0339 107 :KPHFITSSVEHDSIRLPLEHL 1yiyA 125 :GDEVIIIEPFFDCYEPMVKAA T0339 132 :VAAVTFVPVS 1yiyA 146 :GGIPRFIPLK T0339 142 :KVSGQTEVDDILAAVRPTTRLVTIMLANNETGIVMP 1yiyA 165 :SADWVLDNNELEALFNEKTKMIIINTPHNPLGKVMD T0339 178 :VPEISQRIKA 1yiyA 204 :LEVVANLCKK T0339 198 :PPILVHTDAAQ 1yiyA 214 :WNVLCVSDEVY T0339 209 :ALG 1yiyA 226 :HMV T0339 214 :RVD 1yiyA 231 :PFE T0339 217 :VEDLGV 1yiyA 238 :CTLPGM T0339 223 :DFLTIVGHKFYGPR 1yiyA 247 :TITIGSAGKTFSLT T0339 237 :IGALYIRGLGEFTPLYPMLFG 1yiyA 264 :IGWAYGPEALLKNLQMVHQNC T0339 266 :PGTENTPMIAGLGKAAELVTQNCE 1yiyA 285 :VYTCATPIQEAIAVGFETELKRLK T0339 290 :AYEAHMRDVRDYLEERLEAEFGQKRIH 1yiyA 316 :SISGELMAKRDYMASFLAEVGMNPTVP T0339 326 :RLPNTCNFSIRGPRLQ 1yiyA 343 :QGGYFMVADWSSLDSK T0339 342 :GHVVLAQCRVLMASVGAACHSDHG 1yiyA 373 :FTKWMTKSVGLQGIPPSAFYSEPN T0339 379 :FDVARNALRLSVG 1yiyA 397 :KHLGEDFVRYCFF T0339 394 :TTRAEVDLVVQDLKQAV 1yiyA 410 :KKDENLQKAAEILRKWK Number of specific fragments extracted= 24 number of extra gaps= 3 total=1880 Number of alignments=84 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1wyuA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1wyuA expands to /projects/compbio/data/pdb/1wyu.pdb.gz 1wyuA:# T0339 read from 1wyuA/merged-good-all-a2m # 1wyuA read from 1wyuA/merged-good-all-a2m # adding 1wyuA to template set # found chain 1wyuA in template set T0339 10 :ATTPLEPEVIQAM 1wyuA 74 :RSHHVPPVVQALA T0339 24 :KAM 1wyuA 90 :EFL T0339 30 :WGNPSSPYSAGRKAKDIINAARESLAKMIGGK 1wyuA 93 :TAYTPYQPEVSQGVLQATFEYQTMIAELAGLE T0339 66 :IFTSG 1wyuA 125 :IANAS T0339 71 :GTESNNLVIHSVVKHF 1wyuA 133 :GATALAEGVLLALRET T0339 106 :AKPHFITSSVEHDSIRLPLEHLVEEQVAAVTFVPVS 1wyuA 149 :GRMGVLVSQGVHPEYRAVLRAYLEAVGAKLLTLPLE T0339 144 :SGQTE 1wyuA 185 :GGRTP T0339 156 :VRPTTRLVTIMLA 1wyuA 193 :VGEEVGAVVVQNP T0339 170 :NETGIVMPVPEISQRIKALNQ 1wyuA 206 :NFLGALEDLGPFAEAAHGAGA T0339 200 :ILVHTDAAQALGKQRVDV 1wyuA 227 :LFVAVADPLSLGVLKPPG T0339 219 :DLGVDFLTIVGHKFY 1wyuA 245 :AYGADIAVGDGQSLG T0339 234 :GP 1wyuA 263 :GF T0339 237 :IGALYIRG 1wyuA 269 :FGFLATKK T0339 246 :GEFTPLYPML 1wyuA 277 :AFVRQLPGRL T0339 261 :ERNFRPGTENTPMIAGLGKAAELVTQ 1wyuA 314 :KAKSNITTNAQLTALMGAMYLAALGP T0339 289 :EAYEAHMRDVRDYLE 1wyuA 340 :EGLREVALKSVEMAH T0339 304 :ERLEAEFG 1wyuA 358 :ALLLEVPG T0339 315 :IHLNSQ 1wyuA 366 :VRPFTP T0339 324 :TQRL 1wyuA 372 :KPFF T0339 329 :NTCNFSIRG 1wyuA 376 :NEFALALPK T0339 341 :QGHVVLAQCRV 1wyuA 385 :DPEAVRRALAE T0339 355 :SV 1wyuA 399 :HG T0339 366 :DQP 1wyuA 401 :ATP T0339 377 :VPFDVARNALRLSVGRSTTRAEVDLVVQDLKQA 1wyuA 404 :VPREYGENLALFAATELHEEEDLLALREALKEV Number of specific fragments extracted= 24 number of extra gaps= 0 total=1904 Number of alignments=85 # 1wyuA read from 1wyuA/merged-good-all-a2m # found chain 1wyuA in template set T0339 6 :MDYNA 1wyuA 68 :FLGGG T0339 11 :TTPLEPEVIQAM 1wyuA 75 :SHHVPPVVQALA T0339 26 :M 1wyuA 91 :F T0339 29 :AWGNPSSPYSAGRKAKDIINAARESLAKMIGG 1wyuA 92 :LTAYTPYQPEVSQGVLQATFEYQTMIAELAGL T0339 63 :Q 1wyuA 124 :E T0339 66 :IFTSG 1wyuA 125 :IANAS T0339 71 :GTESNNLVIHSVVKHF 1wyuA 133 :GATALAEGVLLALRET T0339 93 :KGH 1wyuA 149 :GRM T0339 109 :HFITSSVEHDSIRLPLEHLVEEQVAAVTFVPVS 1wyuA 152 :GVLVSQGVHPEYRAVLRAYLEAVGAKLLTLPLE T0339 144 :SGQTE 1wyuA 185 :GGRTP T0339 156 :VRPTTRLVTIMLA 1wyuA 193 :VGEEVGAVVVQNP T0339 170 :NETGIVMPVPEISQ 1wyuA 206 :NFLGALEDLGPFAE T0339 188 :LNQER 1wyuA 220 :AAHGA T0339 199 :PILVHTDAAQALGKQRVDVEDLGVDFLTIVGHKFY 1wyuA 225 :GALFVAVADPLSLGVLKPPGAYGADIAVGDGQSLG T0339 234 :GPRIGALYIR 1wyuA 266 :GPHFGFLATK T0339 244 :GLGEFTPLYPMLFGGG 1wyuA 277 :AFVRQLPGRLVSETVD T0339 260 :QERNFRPGTENTPMIAGLGKAAELVTQ 1wyuA 313 :AKAKSNITTNAQLTALMGAMYLAALGP T0339 287 :NCEAYEAHMRDVRDYLEERLEA 1wyuA 341 :GLREVALKSVEMAHKLHALLLE T0339 312 :QKRIHLNSQFP 1wyuA 363 :VPGVRPFTPKP T0339 327 :LPNTCNFSIR 1wyuA 374 :FFNEFALALP T0339 340 :LQGHVVLAQCRV 1wyuA 384 :KDPEAVRRALAE T0339 352 :LMASVGA 1wyuA 399 :HGATPVP T0339 379 :FDVARNALRLSVGRSTTRAEVDLVVQDLKQA 1wyuA 406 :REYGENLALFAATELHEEEDLLALREALKEV Number of specific fragments extracted= 23 number of extra gaps= 0 total=1927 Number of alignments=86 # 1wyuA read from 1wyuA/merged-good-all-a2m # found chain 1wyuA in template set T0339 11 :TTPLEPEVIQAM 1wyuA 75 :SHHVPPVVQALA T0339 29 :AWGNPSSPYSAGRKAKDIINAARESLAKMIGG 1wyuA 92 :LTAYTPYQPEVSQGVLQATFEYQTMIAELAGL T0339 66 :IFTSG 1wyuA 125 :IANAS T0339 71 :GTESNNLVIHSV 1wyuA 133 :GATALAEGVLLA T0339 102 :PVKGAKPHFITSSVEHDSIRLPLEHLVEEQVAAVTFVPVS 1wyuA 145 :LRETGRMGVLVSQGVHPEYRAVLRAYLEAVGAKLLTLPLE T0339 144 :SGQTE 1wyuA 185 :GGRTP T0339 156 :VRPTTRLVTIMLA 1wyuA 193 :VGEEVGAVVVQNP T0339 170 :NETGIVMPVPEISQRIKA 1wyuA 206 :NFLGALEDLGPFAEAAHG T0339 198 :PPIL 1wyuA 224 :AGAL T0339 202 :VHTDAAQALGKQRVDVE 1wyuA 229 :VAVADPLSLGVLKPPGA T0339 220 :LGVDFLTIVGHKFYGPR 1wyuA 246 :YGADIAVGDGQSLGLPM T0339 237 :IGALYIRGLGEFTPLYPMLFG 1wyuA 269 :FGFLATKKAFVRQLPGRLVSE T0339 261 :ERNFRPGTENTPMIAGLGKAAELVT 1wyuA 314 :KAKSNITTNAQLTALMGAMYLAALG T0339 286 :QNCEAYEAHMRDVRDYLEERLEAEFGQKRIH 1wyuA 340 :EGLREVALKSVEMAHKLHALLLEVPGVRPFT T0339 324 :TQRLPNTCNFSIRG 1wyuA 371 :PKPFFNEFALALPK T0339 339 :RLQGHVVLAQCRVLMASV 1wyuA 385 :DPEAVRRALAERGFHGAT T0339 376 :GVPFDVARNALRLSVGRSTTRAEVDLVVQDLKQA 1wyuA 403 :PVPREYGENLALFAATELHEEEDLLALREALKEV Number of specific fragments extracted= 17 number of extra gaps= 0 total=1944 Number of alignments=87 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1jf9A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1jf9A expands to /projects/compbio/data/pdb/1jf9.pdb.gz 1jf9A:# T0339 read from 1jf9A/merged-good-all-a2m # 1jf9A read from 1jf9A/merged-good-all-a2m # adding 1jf9A to template set # found chain 1jf9A in template set Warning: unaligning (T0339)P33 because of BadResidue code BAD_PEPTIDE at template residue (1jf9A)H55 Warning: unaligning (T0339)E261 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1jf9A)P271 T0339 2 :RKVYMDYNATTPLEPEVIQAMTKAMWEAWGN 1jf9A 23 :PLAYLDSAASAQKPSQVIDAEAEFYRHGYAA T0339 34 :SSPYSAGRKAKDIINAARESLAKMIGG 1jf9A 56 :RGIHTLSAQATEKMENVRKRASLFINA T0339 61 :KPQDIIFTSGGTESNNLVIHSVVKHFH 1jf9A 84 :SAEELVFVRGTTEGINLVANSWGNSNV T0339 105 :GAKPHFITSSVEHDSIRLPLEHLVEEQVAAVTFVPVSK 1jf9A 111 :RAGDNIIISQMEHHANIVPWQMLCARVGAELRVIPLNP T0339 144 :SGQTEVDDILAAVRPTTRLVTIMLANNETGIVMPVPEISQRIKALN 1jf9A 149 :DGTLQLETLPTLFDEKTRLLAITHVSNVLGTENPLAEMITLAHQHG T0339 200 :ILVHTDAAQALGKQRVDVEDLGVDFLTIVGHKFYGP 1jf9A 195 :AKVLVDGAQAVMHHPVDVQALDCDFYVFSGHKLYGP T0339 236 :RIGALYIRG 1jf9A 232 :GIGILYVKE T0339 246 :GEFTPLYPMLFGGGQ 1jf9A 241 :ALLQEMPPWEGGGSM T0339 262 :RNFRPGTENTPMIAGLGKAAELVTQ 1jf9A 272 :WRFEAGTPNTGGIIGLGAALEYVSA T0339 287 :NCEAYEAHMRDVRDYLEERLEAEFG 1jf9A 298 :GLNNIAEYEQNLMHYALSQLESVPD T0339 315 :IHLNSQ 1jf9A 323 :LTLYGP T0339 324 :TQRLP 1jf9A 329 :QNRLG T0339 330 :TCNFSIRG 1jf9A 334 :VIAFNLGK T0339 340 :LQGHVVLAQCRV 1jf9A 342 :HHAYDVGSFLDN T0339 352 :LMASVGAACH 1jf9A 356 :IAVRTGHHCA T0339 369 :SPVLLSYGVPF 1jf9A 366 :MPLMAYYNVPA T0339 385 :ALRLSVGRSTTRAEVDLVVQDLKQAVAQL 1jf9A 377 :MCRASLAMYNTHEEVDRLVTGLQRIHRLL Number of specific fragments extracted= 17 number of extra gaps= 2 total=1961 Number of alignments=88 # 1jf9A read from 1jf9A/merged-good-all-a2m # found chain 1jf9A in template set Warning: unaligning (T0339)P33 because of BadResidue code BAD_PEPTIDE in next template residue (1jf9A)H55 Warning: unaligning (T0339)S34 because of BadResidue code BAD_PEPTIDE at template residue (1jf9A)H55 Warning: unaligning (T0339)Q260 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1jf9A)P271 Warning: unaligning (T0339)E261 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1jf9A)P271 T0339 2 :RKVYMDYNATTPLEPEVIQAMTKAMWEAWGN 1jf9A 23 :PLAYLDSAASAQKPSQVIDAEAEFYRHGYAA T0339 35 :SP 1jf9A 56 :RG T0339 37 :YSAGRKAKDIINAARESLAKMIGGK 1jf9A 59 :HTLSAQATEKMENVRKRASLFINAR T0339 62 :PQDIIFTSGGTESNNLVIHSVVKHF 1jf9A 85 :AEELVFVRGTTEGINLVANSWGNSN T0339 91 :TSKGH 1jf9A 110 :VRAGD T0339 109 :HFITSSVEHDSIRLPLEHLVEEQVAAVTFVPVSK 1jf9A 115 :NIIISQMEHHANIVPWQMLCARVGAELRVIPLNP T0339 144 :SGQTEVDDILAAVRPTTRLVTIMLANNETGIVMPVPEISQ 1jf9A 149 :DGTLQLETLPTLFDEKTRLLAITHVSNVLGTENPLAEMIT T0339 188 :LNQER 1jf9A 189 :LAHQH T0339 199 :PILVHTDAAQALGKQRVDVEDLGVDFLTIVGHK 1jf9A 194 :GAKVLVDGAQAVMHHPVDVQALDCDFYVFSGHK T0339 232 :FYGPRIGALYIR 1jf9A 228 :YGPTGIGILYVK T0339 244 :GLGEFTP 1jf9A 241 :ALLQEMP T0339 253 :PMLFGGG 1jf9A 248 :PWEGGGS T0339 262 :RNFRPGTENTPMIAGLGKAAELVTQ 1jf9A 272 :WRFEAGTPNTGGIIGLGAALEYVSA T0339 287 :NCEAYEAHMRDVRDYLEERLEA 1jf9A 298 :GLNNIAEYEQNLMHYALSQLES T0339 312 :QKRIHLNSQ 1jf9A 320 :VPDLTLYGP T0339 322 :PGT 1jf9A 329 :QNR T0339 328 :PNTCNFSIRG 1jf9A 332 :LGVIAFNLGK T0339 340 :LQGHVVLAQCRV 1jf9A 342 :HHAYDVGSFLDN T0339 352 :LMASVGAACH 1jf9A 356 :IAVRTGHHCA T0339 362 :SDH 1jf9A 372 :YNV T0339 383 :RNALRLSVGRSTTRAEVDLVVQDLKQAVAQL 1jf9A 375 :PAMCRASLAMYNTHEEVDRLVTGLQRIHRLL Number of specific fragments extracted= 21 number of extra gaps= 2 total=1982 Number of alignments=89 # 1jf9A read from 1jf9A/merged-good-all-a2m # found chain 1jf9A in template set Warning: unaligning (T0339)P33 because of BadResidue code BAD_PEPTIDE in next template residue (1jf9A)H55 Warning: unaligning (T0339)S34 because of BadResidue code BAD_PEPTIDE at template residue (1jf9A)H55 Warning: unaligning (T0339)E261 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1jf9A)P271 T0339 3 :KVYMDYNATTPLEPEVIQAMTKAMWEAWGN 1jf9A 24 :LAYLDSAASAQKPSQVIDAEAEFYRHGYAA T0339 35 :SPYSAGRKAKDIINAARESLAKMIGG 1jf9A 57 :GIHTLSAQATEKMENVRKRASLFINA T0339 61 :KPQDIIFTSGGTESNNLVIHSV 1jf9A 84 :SAEELVFVRGTTEGINLVANSW T0339 100 :HSPVKGAKPHFITSSVEHDSIRLPLEHLVEEQVAAVTFVPVS 1jf9A 106 :GNSNVRAGDNIIISQMEHHANIVPWQMLCARVGAELRVIPLN T0339 143 :VSGQTEVDDILAAVRPTTRLVTIMLANNETGIVMPVPEISQRIKA 1jf9A 148 :PDGTLQLETLPTLFDEKTRLLAITHVSNVLGTENPLAEMITLAHQ T0339 198 :PPILVHTDAAQALGKQRVDVEDLGVDFLTIVGHKFYGPR 1jf9A 193 :HGAKVLVDGAQAVMHHPVDVQALDCDFYVFSGHKLYGPT T0339 237 :IGALYIRGLGEFTPLYPMLFGGGQ 1jf9A 233 :IGILYVKEALLQEMPPWEGGGSMI T0339 262 :RNFRPGTENTPMIAGLGKAAELVT 1jf9A 272 :WRFEAGTPNTGGIIGLGAALEYVS T0339 286 :QNCEAYEAHMRDVRDYLEERLEAEFGQKRIH 1jf9A 297 :LGLNNIAEYEQNLMHYALSQLESVPDLTLYG T0339 324 :TQRLPNTCNFSIRGPRLQGHVVLAQCRVLMASVGAACHSDHG 1jf9A 328 :PQNRLGVIAFNLGKHHAYDVGSFLDNYGIAVRTGHHCAMPLM T0339 378 :PFDVARNALRLSVGRSTTRAEVDLVVQDLKQAVAQL 1jf9A 370 :AYYNVPAMCRASLAMYNTHEEVDRLVTGLQRIHRLL Number of specific fragments extracted= 11 number of extra gaps= 2 total=1993 Number of alignments=90 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1wyuB/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1wyuB expands to /projects/compbio/data/pdb/1wyu.pdb.gz 1wyuB:# T0339 read from 1wyuB/merged-good-all-a2m # 1wyuB read from 1wyuB/merged-good-all-a2m # adding 1wyuB to template set # found chain 1wyuB in template set T0339 9 :NATTPLEPEVIQA 1wyuB 74 :CTMKYNPKLHEEA T0339 26 :M 1wyuB 87 :A T0339 28 :EAWGN 1wyuB 88 :RLFAD T0339 33 :PSSPYSAGRKAKDIINAARESLAKMIGGKP 1wyuB 95 :PYQDPRTAQGALRLMWELGEYLKALTGMDA T0339 65 :IIF 1wyuB 125 :ITL T0339 68 :TSGGTESNNLVIHSVVKHFHANQTS 1wyuB 129 :PAAGAHGELTGILIIRAYHEDRGEG T0339 105 :GAKPHFITSSVEHDSIRL 1wyuB 154 :RTRRVVLVPDSAHGSNPA T0339 127 :LVEEQVAAVTFVPVSK 1wyuB 172 :TASMAGYQVREIPSGP T0339 144 :SGQTEVDDILAAVRPTTRLVTIMLANNETGIVMPVPEISQRIKALN 1wyuB 188 :EGEVDLEALKRELGPHVAALMLTNPNTLGLFERRILEISRLCKEAG T0339 200 :ILVHTDAAQ 1wyuB 234 :VQLYYDGAN T0339 209 :ALGKQRVDV 1wyuB 245 :AIMGWARPG T0339 219 :DLGVDFLTIVGHKFY 1wyuB 254 :DMGFDVVHLNLHKTF T0339 235 :P 1wyuB 271 :P T0339 236 :R 1wyuB 273 :G T0339 237 :IGALYIRG 1wyuB 279 :SGPVGVKA T0339 246 :GEFTPLYPMLFGGGQ 1wyuB 287 :HLAPYLPVPLVERGE T0339 261 :ERNFRPGTENTPMIAGLGKAAELVTQ 1wyuB 314 :IGRVRSFYGNFLALVRAWAYIRTLGL T0339 289 :EAYEAHMRDVRDYLE 1wyuB 340 :EGLKKAAALAVLNAR T0339 304 :ERLEAE 1wyuB 358 :ELLKEK T0339 311 :G 1wyuB 364 :G T0339 315 :IHLNSQ 1wyuB 365 :YRVPYD T0339 323 :GT 1wyuB 371 :GP T0339 327 :LPNTCNFSIRGP 1wyuB 373 :SMHEFVAQPPEG T0339 340 :LQGHVVLAQCRV 1wyuB 385 :FRALDLAKGLLE T0339 356 :VG 1wyuB 397 :LG T0339 367 :QPSPV 1wyuB 400 :HPPTV T0339 377 :VPFDVARNALRLSVGRSTTRAEVDLVVQDLKQAVA 1wyuB 405 :YFPLIVKEALMVEPTETEAKETLEAFAEAMGALLK Number of specific fragments extracted= 27 number of extra gaps= 0 total=2020 Number of alignments=91 # 1wyuB read from 1wyuB/merged-good-all-a2m # found chain 1wyuB in template set T0339 4 :VYMDYNATT 1wyuB 68 :FYPLGSCTM T0339 13 :PLEPEVIQAM 1wyuB 78 :YNPKLHEEAA T0339 28 :EAW 1wyuB 88 :RLF T0339 31 :GNPSSPYSAGRKAKDIINAARESLAKMIGG 1wyuB 93 :LHPYQDPRTAQGALRLMWELGEYLKALTGM T0339 63 :QDIIFTSG 1wyuB 123 :DAITLEPA T0339 71 :GTESNNLVIHSVVKHFHANQTSKGH 1wyuB 132 :GAHGELTGILIIRAYHEDRGEGRTR T0339 108 :PHFITSSVEHDSIRLPLEHL 1wyuB 157 :RVVLVPDSAHGSNPATASMA T0339 132 :VAAVTFVPVSK 1wyuB 177 :GYQVREIPSGP T0339 144 :SGQTEVDDILAAVRPTTRLVTIMLANNETGIVM 1wyuB 188 :EGEVDLEALKRELGPHVAALMLTNPNTLGLFER T0339 180 :EISQ 1wyuB 221 :RILE T0339 185 :IKALNQER 1wyuB 225 :ISRLCKEA T0339 199 :PILVHTDAAQALGKQRVD 1wyuB 233 :GVQLYYDGANLNAIMGWA T0339 217 :VEDLGVDFLTIVGHK 1wyuB 252 :PGDMGFDVVHLNLHK T0339 232 :F 1wyuB 268 :F T0339 234 :GPRIGALYIR 1wyuB 276 :GPGSGPVGVK T0339 244 :GLGEFTPLYPMLFGG 1wyuB 287 :HLAPYLPVPLVERGE T0339 260 :QERNFRPGTENTPMIAGLGKAAELVTQ 1wyuB 313 :SIGRVRSFYGNFLALVRAWAYIRTLGL T0339 287 :NCEAYEAHMRDVRDYLEERLEAE 1wyuB 341 :GLKKAAALAVLNARYLKELLKEK T0339 314 :RIHLNSQFP 1wyuB 364 :GYRVPYDGP T0339 327 :LPNTCNFSIRGP 1wyuB 373 :SMHEFVAQPPEG T0339 340 :LQGHVVLAQCRVLMASVGAACHSDHG 1wyuB 385 :FRALDLAKGLLELGFHPPTVYFPLIV T0339 383 :RNALRLSVGRSTTRAEVDLVVQDLKQAVA 1wyuB 411 :KEALMVEPTETEAKETLEAFAEAMGALLK T0339 412 :QLE 1wyuB 444 :WLE Number of specific fragments extracted= 23 number of extra gaps= 0 total=2043 Number of alignments=92 # 1wyuB read from 1wyuB/merged-good-all-a2m # found chain 1wyuB in template set T0339 8 :YNATTPLEPEVIQAM 1wyuB 73 :SCTMKYNPKLHEEAA T0339 28 :EAWGNPS 1wyuB 88 :RLFADLH T0339 35 :SPYSAGRKAKDIINAARESLAKMIGG 1wyuB 97 :QDPRTAQGALRLMWELGEYLKALTGM T0339 64 :DIIF 1wyuB 124 :AITL T0339 68 :TSGGTESNNLVIHSVVKHFHAN 1wyuB 129 :PAAGAHGELTGILIIRAYHEDR T0339 102 :PVKGAKPHFITSSVEHDSIRLPLEHL 1wyuB 151 :GEGRTRRVVLVPDSAHGSNPATASMA T0339 132 :VAAVTFVPVS 1wyuB 177 :GYQVREIPSG T0339 143 :VSGQTEVDDILAAVRPTTRLVTIMLANNETGIVMPVPEISQRIKA 1wyuB 187 :PEGEVDLEALKRELGPHVAALMLTNPNTLGLFERRILEISRLCKE T0339 198 :PPILVHTDAAQALGKQRVD 1wyuB 232 :AGVQLYYDGANLNAIMGWA T0339 217 :VEDLGVDFLTIVGHKFYGPR 1wyuB 252 :PGDMGFDVVHLNLHKTFTVP T0339 237 :IGALYIRGLGEFTPLYPMLFGGGQ 1wyuB 279 :SGPVGVKAHLAPYLPVPLVERGEE T0339 261 :ERNFRPGTENTPMIAGLGKAAELVT 1wyuB 314 :IGRVRSFYGNFLALVRAWAYIRTLG T0339 286 :QNCEAYEAHMRDVRDYLEERLEAEFGQKRIH 1wyuB 340 :EGLKKAAALAVLNARYLKELLKEKGYRVPYD T0339 325 :QRLPNTCNFSIRG 1wyuB 371 :GPSMHEFVAQPPE T0339 338 :PRLQGHVVLAQCRVLMASV 1wyuB 385 :FRALDLAKGLLELGFHPPT T0339 376 :GVPFDVARNALRLSVGRSTTRAEVDLVVQDLKQAVA 1wyuB 404 :VYFPLIVKEALMVEPTETEAKETLEAFAEAMGALLK Number of specific fragments extracted= 16 number of extra gaps= 0 total=2059 Number of alignments=93 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1pffA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments Warning: Couldn't open file /projects/compbio/experiments/protein-predict/casp7/T0339/1pffA/merged-good-all-a2m or /projects/compbio/experiments/protein-predict/casp7/T0339/1pffA/merged-good-all-a2m.gz for input Trying 1pffA/merged-good-all-a2m Error: Couldn't open file 1pffA/merged-good-all-a2m or 1pffA/merged-good-all-a2m.gz for input # Reading fragments from alignment file # Attempting to read fragment alignments from file 1kmkA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments Warning: Couldn't open file /projects/compbio/experiments/protein-predict/casp7/T0339/1kmkA/merged-good-all-a2m or /projects/compbio/experiments/protein-predict/casp7/T0339/1kmkA/merged-good-all-a2m.gz for input Trying 1kmkA/merged-good-all-a2m Error: Couldn't open file 1kmkA/merged-good-all-a2m or 1kmkA/merged-good-all-a2m.gz for input # Reading fragments from alignment file # Attempting to read fragment alignments from file 1h0cA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1h0cA expands to /projects/compbio/data/pdb/1h0c.pdb.gz 1h0cA:# T0339 read from 1h0cA/merged-good-all-a2m # 1h0cA read from 1h0cA/merged-good-all-a2m # adding 1h0cA to template set # found chain 1h0cA in template set Warning: unaligning (T0339)V132 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1h0cA)V123 Warning: unaligning (T0339)V135 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1h0cA)V123 T0339 1 :ERKVYM 1h0cA 21 :PNQLLL T0339 8 :YNATTPLEPEVIQA 1h0cA 27 :GPGPSNLPPRIMAA T0339 30 :WGN 1h0cA 41 :GGL T0339 34 :SSPYSAGRKAKDIINAARESLAKMIGGKPQDIIFTSG 1h0cA 44 :QMIGSMSKDMYQIMDEIKEGIQYVFQTRNPLTLVISG T0339 71 :GTESNNLVIHSVV 1h0cA 82 :GHCALEAALVNVL T0339 105 :GAKPHFITSSV 1h0cA 95 :EPGDSFLVGAN T0339 118 :DSIRLPLEHLVEEQ 1h0cA 106 :GIWGQRAVDIGERI T0339 136 :TFVPVSK 1h0cA 124 :HPMTKDP T0339 144 :SGQTEVDDILAAV 1h0cA 131 :GGHYTLQEVEEGL T0339 159 :TTRLVTIMLANNETGIVMPVPEISQRIKALN 1h0cA 147 :KPVLLFLTHGESSTGVLQPLDGFGELCHRYK T0339 200 :ILVHTDAAQALGKQRVDVEDLGVDFLTIVGHKFY 1h0cA 178 :CLLLVDSVASLGGTPLYMDRQGIDILYSGSQKAL T0339 234 :GP 1h0cA 213 :AP T0339 236 :RIGALYIRG 1h0cA 216 :GTSLISFSD T0339 245 :LG 1h0cA 231 :YS T0339 249 :TPLYPMLFGGGQ 1h0cA 233 :RKTKPFSFYLDI T0339 261 :ERNFRPGTENTPMIAGLGKAAELVTQ 1h0cA 256 :QPRMYHHTIPVISLYSLRESLALIAE T0339 287 :NCEAYEAHMRDVRDYLEERLEAE 1h0cA 283 :GLENSWRQHREAAAYLHGRLQAL T0339 311 :G 1h0cA 306 :G T0339 315 :IHLNSQ 1h0cA 307 :LQLFVK T0339 322 :PGTQRLPNTCNFSIRGP 1h0cA 313 :DPALRLPTVTTVAVPAG T0339 340 :LQGHVVLAQCRV 1h0cA 330 :YDWRDIVSYVID T0339 352 :LMASV 1h0cA 343 :FDIEI T0339 376 :GVPFDVARNALRLSV 1h0cA 349 :GGLGPSTGKVLRIGL T0339 391 :GRSTTRAEVDLVVQDLKQAVAQ 1h0cA 365 :GCNATRENVDRVTEALRAALQH Number of specific fragments extracted= 24 number of extra gaps= 0 total=2083 Number of alignments=94 # 1h0cA read from 1h0cA/merged-good-all-a2m # found chain 1h0cA in template set Warning: unaligning (T0339)V132 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1h0cA)V123 Warning: unaligning (T0339)V135 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1h0cA)V123 T0339 2 :RKVYMDYNATTPLEPEVIQA 1h0cA 21 :PNQLLLGPGPSNLPPRIMAA T0339 30 :WG 1h0cA 41 :GG T0339 33 :PSSPYSAGRKAKDIINAARESLAKMIGGKPQDIIFTSG 1h0cA 43 :LQMIGSMSKDMYQIMDEIKEGIQYVFQTRNPLTLVISG T0339 71 :GTESNNLVIHSV 1h0cA 82 :GHCALEAALVNV T0339 91 :TSKGH 1h0cA 94 :LEPGD T0339 109 :HFITSSVEHDS 1h0cA 99 :SFLVGANGIWG T0339 121 :RLPLEHL 1h0cA 110 :QRAVDIG T0339 129 :EEQ 1h0cA 117 :ERI T0339 136 :TFVPVSK 1h0cA 124 :HPMTKDP T0339 144 :SGQTEVDDILAAVR 1h0cA 131 :GGHYTLQEVEEGLA T0339 158 :PTTRLVTIMLANNETGIVMPVPEISQ 1h0cA 146 :HKPVLLFLTHGESSTGVLQPLDGFGE T0339 188 :LNQER 1h0cA 172 :LCHRY T0339 199 :PILVHTDAAQALGKQRVDVEDLGVDFLTIVGHK 1h0cA 177 :KCLLLVDSVASLGGTPLYMDRQGIDILYSGSQK T0339 232 :FY 1h0cA 211 :LN T0339 234 :GPRIGALYIR 1h0cA 214 :PPGTSLISFS T0339 244 :GLGEFT 1h0cA 225 :KAKKKM T0339 250 :PLYPMLFGGG 1h0cA 232 :SRKTKPFSFY T0339 260 :QERNFRPGTENTPMIAGLGKAAELVTQ 1h0cA 255 :DQPRMYHHTIPVISLYSLRESLALIAE T0339 287 :NCEAYEAHMRDVRDYLEERLEAE 1h0cA 283 :GLENSWRQHREAAAYLHGRLQAL T0339 314 :RIHLNSQ 1h0cA 306 :GLQLFVK T0339 322 :PGTQRLPNTCNFSIR 1h0cA 313 :DPALRLPTVTTVAVP T0339 337 :G 1h0cA 329 :G T0339 340 :LQGHVVLAQCRV 1h0cA 330 :YDWRDIVSYVID T0339 352 :LMASVGAACHS 1h0cA 345 :IEIMGGLGPST T0339 383 :RNALRLSV 1h0cA 356 :GKVLRIGL T0339 391 :GRSTTRAEVDLVVQDLKQAVAQL 1h0cA 365 :GCNATRENVDRVTEALRAALQHC Number of specific fragments extracted= 26 number of extra gaps= 0 total=2109 Number of alignments=95 # 1h0cA read from 1h0cA/merged-good-all-a2m # found chain 1h0cA in template set Warning: unaligning (T0339)V132 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1h0cA)V123 Warning: unaligning (T0339)V135 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1h0cA)V123 T0339 6 :MDYNATTPLEPEVIQA 1h0cA 25 :LLGPGPSNLPPRIMAA T0339 36 :PYSAGRKAKDIINAARESLAKMIGGKPQD 1h0cA 46 :IGSMSKDMYQIMDEIKEGIQYVFQTRNPL T0339 65 :IIFTSGGTESNNLVIHSV 1h0cA 76 :LVISGSGHCALEAALVNV T0339 104 :KGAKPHFITSSV 1h0cA 94 :LEPGDSFLVGAN T0339 117 :HDSIRLPLEHL 1h0cA 106 :GIWGQRAVDIG T0339 129 :EEQ 1h0cA 117 :ERI T0339 136 :TFVPVS 1h0cA 124 :HPMTKD T0339 143 :VSGQTEVDDILAAV 1h0cA 130 :PGGHYTLQEVEEGL T0339 159 :TTRLVTIMLANNETGIVMPVPEISQRIKA 1h0cA 147 :KPVLLFLTHGESSTGVLQPLDGFGELCHR T0339 198 :PPILVHTDAAQALGKQRVDVEDLGVDFLTIVGHKFYGPR 1h0cA 176 :YKCLLLVDSVASLGGTPLYMDRQGIDILYSGSQKALNAP T0339 237 :IGALYIRGLGEF 1h0cA 217 :TSLISFSDKAKK T0339 249 :TPLYPMLFGGGQ 1h0cA 232 :SRKTKPFSFYLD T0339 261 :ERNFRPGTENTPMIAGLGKAAELVT 1h0cA 256 :QPRMYHHTIPVISLYSLRESLALIA T0339 286 :QNCEAYEAHMRDVRDYLEERLEAEFGQKRIH 1h0cA 282 :QGLENSWRQHREAAAYLHGRLQALGLQLFVK T0339 322 :PGTQRLPNTCNFSIRG 1h0cA 313 :DPALRLPTVTTVAVPA T0339 338 :PRLQGHVVLAQ 1h0cA 330 :YDWRDIVSYVI T0339 349 :CRVLMASVGAACHSDH 1h0cA 342 :HFDIEIMGGLGPSTGK T0339 385 :ALRLS 1h0cA 358 :VLRIG T0339 390 :VGRSTTRAEVDLVVQDLKQAVAQ 1h0cA 364 :LGCNATRENVDRVTEALRAALQH Number of specific fragments extracted= 19 number of extra gaps= 0 total=2128 Number of alignments=96 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1bs0A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0339 read from 1bs0A/merged-good-all-a2m # 1bs0A read from 1bs0A/merged-good-all-a2m # found chain 1bs0A in training set Warning: unaligning (T0339)N9 because of BadResidue code BAD_PEPTIDE in next template residue (1bs0A)S46 Warning: unaligning (T0339)A10 because of BadResidue code BAD_PEPTIDE at template residue (1bs0A)S46 Warning: unaligning (T0339)E171 because of BadResidue code BAD_PEPTIDE in next template residue (1bs0A)D181 Warning: unaligning (T0339)T172 because of BadResidue code BAD_PEPTIDE at template residue (1bs0A)D181 Warning: unaligning (T0339)L188 because of BadResidue code BAD_PEPTIDE in next template residue (1bs0A)N198 Warning: unaligning (T0339)N189 because of BadResidue code BAD_PEPTIDE at template residue (1bs0A)N198 T0339 5 :YMDY 1bs0A 41 :YLNF T0339 11 :TTPL 1bs0A 47 :NDYL T0339 15 :EPEVIQA 1bs0A 55 :HPQIIRA T0339 23 :TKAMWEAWGN 1bs0A 62 :WQQGAEQFGI T0339 33 :PSSPYS 1bs0A 74 :GGSGHV T0339 39 :AGR 1bs0A 82 :YSV T0339 46 :IINAARESLAKMIGG 1bs0A 85 :VHQALEEELAEWLGY T0339 63 :QDIIFTSGGTESNNLVIHSVV 1bs0A 100 :SRALLFISGFAANQAVIAAMM T0339 105 :GAKPHFITSSVEHDS 1bs0A 121 :AKEDRIAADRLSHAS T0339 124 :LEHLVEEQVAAVTFVPVS 1bs0A 136 :LLEAASLSPSQLRRFAHN T0339 148 :EVDDILAAVRPTT 1bs0A 154 :DVTHLARLLASPC T0339 161 :RLVTIMLANN 1bs0A 170 :QMVVTEGVFS T0339 173 :GIVMPVPEISQRIKA 1bs0A 182 :GDSAPLAEIQQVTQQ T0339 200 :ILVHTDAAQALGKQ 1bs0A 199 :GWLMVDDAHGTGVI T0339 217 :VEDLGVDFLTIVGHKFYGPRIGALYIRG 1bs0A 222 :LQKVKPELLVVTFGKGFGVSGAAVLCSS T0339 246 :G 1bs0A 250 :T T0339 265 :RPGTENTPMIAGLGKAAELVTQ 1bs0A 264 :YSTSMPPAQAQALRASLAVIRS T0339 287 :NCEAYEAHMRDVRDYLEERLEAE 1bs0A 287 :EGDARREKLAALITRFRAGVQDL T0339 311 :G 1bs0A 310 :P T0339 315 :IHLNSQ 1bs0A 311 :FTLADS T0339 323 :G 1bs0A 317 :C T0339 328 :PNTCNFSIRGP 1bs0A 318 :SAIQPLIVGDN T0339 340 :LQGHVVLAQCRV 1bs0A 329 :SRALQLAEKLRQ T0339 352 :LMASV 1bs0A 343 :CWVTA T0339 360 :CHSDH 1bs0A 348 :IRPPT T0339 377 :VPFD 1bs0A 353 :VPAG T0339 383 :RNALRLSVGRSTTRAEVDLVVQDLKQA 1bs0A 357 :TARLRLTLTAAHEMQDIDRLLEVLHGN Number of specific fragments extracted= 27 number of extra gaps= 3 total=2155 Number of alignments=97 # 1bs0A read from 1bs0A/merged-good-all-a2m # found chain 1bs0A in training set Warning: unaligning (T0339)N9 because of BadResidue code BAD_PEPTIDE in next template residue (1bs0A)S46 Warning: unaligning (T0339)A10 because of BadResidue code BAD_PEPTIDE at template residue (1bs0A)S46 Warning: unaligning (T0339)E171 because of BadResidue code BAD_PEPTIDE in next template residue (1bs0A)D181 Warning: unaligning (T0339)T172 because of BadResidue code BAD_PEPTIDE at template residue (1bs0A)D181 Warning: unaligning (T0339)R192 because of BadResidue code BAD_PEPTIDE in next template residue (1bs0A)N198 Warning: unaligning (T0339)P199 because of BadResidue code BAD_PEPTIDE at template residue (1bs0A)N198 T0339 1 :ERKVYMDY 1bs0A 37 :DDRQYLNF T0339 11 :TT 1bs0A 50 :LG T0339 13 :PLEPEVIQAM 1bs0A 53 :SHHPQIIRAW T0339 24 :KAMWEAWGNPSSPYSAGRKAKDIINAARESLAKMIGG 1bs0A 63 :QQGAEQFGIGSGGSGHVSGYSVVHQALEEELAEWLGY T0339 63 :QDIIFTSGGTESNNLVIHSV 1bs0A 100 :SRALLFISGFAANQAVIAAM T0339 91 :TSKGH 1bs0A 120 :MAKED T0339 109 :HFITSSVEHDSIRLPLEHL 1bs0A 125 :RIAADRLSHASLLEAASLS T0339 132 :VAAVTFVPVS 1bs0A 144 :PSQLRRFAHN T0339 148 :EVDDILAAVR 1bs0A 154 :DVTHLARLLA T0339 158 :PTTRLVTIMLANN 1bs0A 167 :PGQQMVVTEGVFS T0339 173 :GIVMPVPEISQ 1bs0A 182 :GDSAPLAEIQQ T0339 188 :LNQE 1bs0A 193 :VTQQ T0339 200 :ILVHTDAAQALGKQR 1bs0A 199 :GWLMVDDAHGTGVIG T0339 219 :DL 1bs0A 215 :QG T0339 221 :GVDFLTIVGHK 1bs0A 226 :KPELLVVTFGK T0339 232 :FYGP 1bs0A 238 :FGVS T0339 237 :IGALYIR 1bs0A 242 :GAAVLCS T0339 244 :GLGEFT 1bs0A 250 :TVADYL T0339 250 :PLYPMLFG 1bs0A 257 :QFARHLIY T0339 266 :PGTENTPMIAGLGKAAELVTQ 1bs0A 265 :STSMPPAQAQALRASLAVIRS T0339 287 :NCEAYEAHMRDVRDYLEERLEAE 1bs0A 287 :EGDARREKLAALITRFRAGVQDL T0339 314 :RIHLNSQ 1bs0A 310 :PFTLADS T0339 322 :P 1bs0A 317 :C T0339 328 :PNTCNFSIRG 1bs0A 318 :SAIQPLIVGD T0339 340 :LQ 1bs0A 328 :NS T0339 342 :GHVVLAQCRV 1bs0A 331 :ALQLAEKLRQ T0339 352 :LMASVGAACHSDHG 1bs0A 343 :CWVTAIRPPTVPAG T0339 383 :RNALRLSVGRSTTRAEVDLVVQDLKQA 1bs0A 357 :TARLRLTLTAAHEMQDIDRLLEVLHGN Number of specific fragments extracted= 28 number of extra gaps= 3 total=2183 Number of alignments=98 # 1bs0A read from 1bs0A/merged-good-all-a2m # found chain 1bs0A in training set Warning: unaligning (T0339)E171 because of BadResidue code BAD_PEPTIDE in next template residue (1bs0A)D181 Warning: unaligning (T0339)T172 because of BadResidue code BAD_PEPTIDE at template residue (1bs0A)D181 Warning: unaligning (T0339)P198 because of BadResidue code BAD_PEPTIDE in next template residue (1bs0A)N198 Warning: unaligning (T0339)P199 because of BadResidue code BAD_PEPTIDE at template residue (1bs0A)N198 T0339 13 :PLEPEVIQAMTKAMWEAWGNPS 1bs0A 53 :SHHPQIIRAWQQGAEQFGIGSG T0339 35 :SPYSAG 1bs0A 76 :SGHVSG T0339 45 :DIINAARESLAKMIGG 1bs0A 84 :VVHQALEEELAEWLGY T0339 64 :DIIFTSGGTESNNLVIHSV 1bs0A 101 :RALLFISGFAANQAVIAAM T0339 104 :KGAKPHFITSSVEHDSIRLPL 1bs0A 120 :MAKEDRIAADRLSHASLLEAA T0339 129 :EEQVAAVTFVPVS 1bs0A 141 :SLSPSQLRRFAHN T0339 148 :EVDDILAAV 1bs0A 154 :DVTHLARLL T0339 157 :RPTTRLVTIMLANN 1bs0A 166 :CPGQQMVVTEGVFS T0339 173 :GIVMPVPEISQRIKA 1bs0A 182 :GDSAPLAEIQQVTQQ T0339 200 :ILVHTDAAQALGKQRVD 1bs0A 199 :GWLMVDDAHGTGVIGEQ T0339 217 :VEDLGVDFLTIVGHKFYGPRIGALYIRGLGEFTPLYPMLFG 1bs0A 222 :LQKVKPELLVVTFGKGFGVSGAAVLCSSTVADYLLQFARHL T0339 264 :FRPGTENTPMIAGLGKAAELVT 1bs0A 263 :IYSTSMPPAQAQALRASLAVIR T0339 286 :QNCEAYEAHMRDVRDYLEERLEAEFG 1bs0A 286 :DEGDARREKLAALITRFRAGVQDLPF T0339 313 :KRI 1bs0A 312 :TLA T0339 325 :QRLPNTCNFSIRG 1bs0A 315 :DSCSAIQPLIVGD T0339 338 :PRLQGHVVLAQCRVLMASVGAACHSDHG 1bs0A 329 :SRALQLAEKLRQQGCWVTAIRPPTVPAG T0339 383 :RNALRLSVGRSTTRAEVDLVVQDLKQA 1bs0A 357 :TARLRLTLTAAHEMQDIDRLLEVLHGN Number of specific fragments extracted= 17 number of extra gaps= 2 total=2200 Number of alignments=99 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1kl1A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1kl1A expands to /projects/compbio/data/pdb/1kl1.pdb.gz 1kl1A:# T0339 read from 1kl1A/merged-good-all-a2m # 1kl1A read from 1kl1A/merged-good-all-a2m # adding 1kl1A to template set # found chain 1kl1A in template set Warning: unaligning (T0339)G257 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1kl1A)P252 Warning: unaligning (T0339)G258 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1kl1A)P252 T0339 3 :KVYM 1kl1A 25 :KIEL T0339 8 :YNATTPLEPEVIQAM 1kl1A 29 :IASENFVSRAVMEAQ T0339 27 :WEAWGN 1kl1A 48 :TNKYAE T0339 33 :P 1kl1A 56 :P T0339 34 :SSPYSA 1kl1A 61 :YGGCEY T0339 43 :AKDIINAARESLAKMIGG 1kl1A 67 :VDIVEELARERAKQLFGA T0339 63 :QDIIFTS 1kl1A 85 :EHANVQP T0339 70 :GGTESNNLVIHSVV 1kl1A 93 :SGAQANMAVYFTVL T0339 105 :GAKPHFITSSVEHDSI 1kl1A 107 :EHGDTVLGMNLSHGGH T0339 122 :L 1kl1A 131 :F T0339 124 :LE 1kl1A 132 :SG T0339 129 :EE 1kl1A 134 :VQ T0339 133 :AAVTFVPVSKVSGQTEVDDILAAV 1kl1A 136 :YNFVAYGVDPETHVIDYDDVREKA T0339 159 :TTRLVTIMLAN 1kl1A 163 :RPKLIVAAASA T0339 172 :TGIVMPVPEISQRIKALN 1kl1A 174 :YPRIIDFAKFREIADEVG T0339 200 :ILVHTDAAQ 1kl1A 192 :AYLMVDMAH T0339 209 :ALGKQRVDV 1kl1A 206 :AAGLHPNPV T0339 219 :DL 1kl1A 215 :PY T0339 222 :VDFLTIVGHKFY 1kl1A 217 :AHFVTTTTHKTL T0339 234 :GPRIGALYIRG 1kl1A 230 :GPRGGMILCQE T0339 246 :GEFTPLYP 1kl1A 241 :QFAKQIDK T0339 255 :LF 1kl1A 249 :AI T0339 259 :GQ 1kl1A 253 :GI T0339 266 :PGTENTPMIAGLGKAAELVTQ 1kl1A 255 :QGGPLMHVIAAKAVAFGEALQ T0339 287 :NCEAYEAHMRDVRDYLEERLEAE 1kl1A 277 :DFKAYAKRVVDNAKRLASALQNE T0339 311 :G 1kl1A 300 :G T0339 315 :IHLNSQ 1kl1A 301 :FTLVSG T0339 323 :GTQ 1kl1A 307 :GTD T0339 328 :PNTCNFSIRGPRLQGHVVLAQCRVLMASVG 1kl1A 310 :NHLLLVDLRPQQLTGKTAEKVLDEVGITVN T0339 360 :CHSDHG 1kl1A 341 :NTIPYD T0339 376 :GVPFDVA 1kl1A 347 :PESPFVT T0339 384 :NALRLSV 1kl1A 354 :SGIRIGT T0339 391 :GRSTTRAEVDLVVQDLKQA 1kl1A 365 :TRGFGLEEMDEIAAIIGLV T0339 410 :VAQLED 1kl1A 393 :LEEARQ Number of specific fragments extracted= 34 number of extra gaps= 1 total=2234 Number of alignments=100 # 1kl1A read from 1kl1A/merged-good-all-a2m # found chain 1kl1A in template set Warning: unaligning (T0339)L255 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1kl1A)P252 Warning: unaligning (T0339)F256 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1kl1A)P252 T0339 4 :VYM 1kl1A 26 :IEL T0339 8 :YNATTPLEPEVIQA 1kl1A 29 :IASENFVSRAVMEA T0339 31 :GNPSSP 1kl1A 54 :GYPGRR T0339 37 :YSAGRKAKDIINAARESLAKMIGG 1kl1A 61 :YGGCEYVDIVEELARERAKQLFGA T0339 63 :QDIIFTS 1kl1A 85 :EHANVQP T0339 70 :GGTESNNLVIHSV 1kl1A 93 :SGAQANMAVYFTV T0339 91 :TSKGH 1kl1A 106 :LEHGD T0339 109 :HFITSSVEHDSIR 1kl1A 111 :TVLGMNLSHGGHL T0339 122 :LPLEHL 1kl1A 131 :FSGVQY T0339 134 :AVTFVPVSKVSGQTEVDDILAAVR 1kl1A 137 :NFVAYGVDPETHVIDYDDVREKAR T0339 158 :PTTRLVT 1kl1A 162 :HRPKLIV T0339 167 :LANNETGIVMPVPEISQ 1kl1A 169 :AAASAYPRIIDFAKFRE T0339 188 :LNQER 1kl1A 186 :IADEV T0339 199 :PILVHTDAAQ 1kl1A 191 :GAYLMVDMAH T0339 209 :ALGKQ 1kl1A 203 :GLVAA T0339 215 :VD 1kl1A 210 :HP T0339 217 :VED 1kl1A 214 :VPY T0339 222 :VDFLTIVGHK 1kl1A 217 :AHFVTTTTHK T0339 232 :FYGPRIGALYIR 1kl1A 228 :LRGPRGGMILCQ T0339 244 :GLGEFT 1kl1A 241 :QFAKQI T0339 251 :LYPM 1kl1A 247 :DKAI T0339 257 :G 1kl1A 253 :G T0339 266 :PGTENTPMIAGLGK 1kl1A 254 :IQGGPLMHVIAAKA T0339 280 :AAELVTQ 1kl1A 269 :AFGEALQ T0339 287 :NCEAYEAHMRDVRDYLEERLEAE 1kl1A 277 :DFKAYAKRVVDNAKRLASALQNE T0339 314 :RIHLNS 1kl1A 300 :GFTLVS T0339 322 :PGTQ 1kl1A 306 :GGTD T0339 328 :PNTCNFSIRGPRLQGHVVLAQCRV 1kl1A 310 :NHLLLVDLRPQQLTGKTAEKVLDE T0339 352 :LMASVGAACHSDHGDQP 1kl1A 336 :ITVNKNTIPYDPESPFV T0339 383 :RNALRLSV 1kl1A 353 :TSGIRIGT T0339 391 :GRSTTRAEVDLVVQDLKQA 1kl1A 365 :TRGFGLEEMDEIAAIIGLV T0339 410 :VAQLED 1kl1A 393 :LEEARQ Number of specific fragments extracted= 32 number of extra gaps= 1 total=2266 Number of alignments=101 # 1kl1A read from 1kl1A/merged-good-all-a2m # found chain 1kl1A in template set Warning: unaligning (T0339)L255 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1kl1A)P252 Warning: unaligning (T0339)F256 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1kl1A)P252 T0339 9 :NATTPLEPEVIQAMTKAMWEAW 1kl1A 30 :ASENFVSRAVMEAQGSVLTNKY T0339 31 :GNPS 1kl1A 54 :GYPG T0339 35 :SPYSAGRKAKDIINAARESLAKMIGG 1kl1A 59 :RYYGGCEYVDIVEELARERAKQLFGA T0339 65 :IIFTSGGTESNNLVIHSV 1kl1A 88 :NVQPHSGAQANMAVYFTV T0339 104 :KGAKPHFITSSVEHDSIRLP 1kl1A 106 :LEHGDTVLGMNLSHGGHLTH T0339 124 :LEHL 1kl1A 132 :SGVQ T0339 133 :AAVTFVPVSKVSGQTEVDDILAAV 1kl1A 136 :YNFVAYGVDPETHVIDYDDVREKA T0339 161 :R 1kl1A 165 :K T0339 164 :TIMLANNETGIVMPVPEISQRIKA 1kl1A 166 :LIVAAASAYPRIIDFAKFREIADE T0339 198 :PPILVHTDAAQ 1kl1A 190 :VGAYLMVDMAH T0339 209 :ALGKQRVDVE 1kl1A 206 :AAGLHPNPVP T0339 221 :GVDFLTIVGHKFYGPR 1kl1A 216 :YAHFVTTTTHKTLRGP T0339 237 :IGALYIRGLGEFTPLYPM 1kl1A 233 :GGMILCQEQFAKQIDKAI T0339 257 :GG 1kl1A 253 :GI T0339 266 :PGTENTPMIAGLGKAAELVT 1kl1A 255 :QGGPLMHVIAAKAVAFGEAL T0339 286 :QNCEAYEAHMRDVRDYLEERLEAE 1kl1A 276 :DDFKAYAKRVVDNAKRLASALQNE T0339 311 :GQKRIH 1kl1A 300 :GFTLVS T0339 322 :PGTQRLPNTCNFSIRGPRLQGHVVLAQCRVLMASVGAACHSDHG 1kl1A 306 :GGTDNHLLLVDLRPQQLTGKTAEKVLDEVGITVNKNTIPYDPES T0339 380 :DVARNALRLSVG 1kl1A 350 :PFVTSGIRIGTA T0339 392 :RSTTRAEVDLVVQDLK 1kl1A 366 :RGFGLEEMDEIAAIIG T0339 408 :QAVAQLED 1kl1A 391 :QALEEARQ Number of specific fragments extracted= 21 number of extra gaps= 1 total=2287 Number of alignments=102 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1u08A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1u08A expands to /projects/compbio/data/pdb/1u08.pdb.gz 1u08A:# T0339 read from 1u08A/merged-good-all-a2m # 1u08A read from 1u08A/merged-good-all-a2m # adding 1u08A to template set # found chain 1u08A in template set T0339 4 :VYMDYNATT 1u08A 33 :INLSQGFPD T0339 13 :PLEPEVIQAMTKAMWEAWGN 1u08A 43 :DGPRYLQERLAHHVAQGANQ T0339 33 :PSS 1u08A 66 :MTG T0339 43 :AKDIINAARESLAKMIGG 1u08A 69 :VQALREAIAQKTERLYGY T0339 61 :KPQ 1u08A 89 :DAD T0339 64 :DIIFTSGGTESNNLVIHSVV 1u08A 93 :DITVTAGATEALYAAITALV T0339 105 :GAKPHFITSSVEHDSIRLPLEHL 1u08A 113 :RNGDEVICFDPSYDSYAPAIALS T0339 132 :VAAVTFVPVSKVSGQTEVDDILAAVRPTTRLVTIMLANNETGIVMP 1u08A 136 :GGIVKRMALQPPHFRVDWQEFAALLSERTRLVILNTPHNPSATVWQ T0339 178 :VPEISQRIKALN 1u08A 185 :FAALWQAIAGHE T0339 200 :ILVHTDAAQALGKQR 1u08A 197 :IFVISDEVYEHINFS T0339 217 :V 1u08A 219 :L T0339 219 :DL 1u08A 220 :AH T0339 224 :FLTIVGHKFY 1u08A 229 :VAVSSFGKTY T0339 234 :GPRIGALYIRG 1u08A 242 :GWKVGYCVAPA T0339 246 :G 1u08A 253 :P T0339 261 :ER 1u08A 266 :TF T0339 268 :TENTPMIAGLGKAAELVTQNCEAYEAHMRDVRDYLEERLEAE 1u08A 268 :SVNTPAQLALADMLRAEPEHYLALPDFYRQKRDILVNALNES T0339 311 :G 1u08A 310 :R T0339 315 :IHLN 1u08A 311 :LEIL T0339 323 :GTQRLP 1u08A 315 :PCEGTY T0339 330 :TCNFSI 1u08A 321 :FLLVDY T0339 336 :RGPRLQGHVVLAQCRV 1u08A 328 :AVSTLDDVEFCQWLTQ T0339 352 :LMASVGAACHSDH 1u08A 348 :AAIPLSVFCADPF T0339 382 :ARNALRLSVGR 1u08A 361 :PHKLIRLCFAK T0339 395 :TRAEVDLVVQDL 1u08A 372 :KESTLLAAAERL Number of specific fragments extracted= 25 number of extra gaps= 0 total=2312 Number of alignments=103 # 1u08A read from 1u08A/merged-good-all-a2m # found chain 1u08A in template set T0339 3 :KVYMDYNATTP 1u08A 32 :AINLSQGFPDF T0339 14 :LEPEVIQAMTKAMWE 1u08A 44 :GPRYLQERLAHHVAQ T0339 33 :PSSPYSAGRKAKDIINAARESLAKMIG 1u08A 59 :GANQYAPMTGVQALREAIAQKTERLYG T0339 60 :GKPQ 1u08A 88 :PDAD T0339 64 :DIIFTSGGTESNNLVIHSV 1u08A 93 :DITVTAGATEALYAAITAL T0339 91 :TSKGH 1u08A 112 :VRNGD T0339 109 :HFITSSVEHDSIRLPLEHL 1u08A 117 :EVICFDPSYDSYAPAIALS T0339 132 :VAAVTFVPVSKVSGQTEVDDILAAVRPTTRLVTIMLANNETGIVMPVPEISQ 1u08A 136 :GGIVKRMALQPPHFRVDWQEFAALLSERTRLVILNTPHNPSATVWQQADFAA T0339 185 :IKALNQER 1u08A 188 :LWQAIAGH T0339 199 :PILVHTDAAQALGKQR 1u08A 196 :EIFVISDEVYEHINFS T0339 215 :VD 1u08A 215 :HA T0339 217 :VEDL 1u08A 218 :VLAH T0339 221 :GV 1u08A 227 :RA T0339 224 :FLTIVGHK 1u08A 229 :VAVSSFGK T0339 232 :FY 1u08A 238 :YH T0339 234 :GPRIGALYIR 1u08A 242 :GWKVGYCVAP T0339 244 :GLGEFTPLYPMLF 1u08A 253 :PISAEIRKVHQYL T0339 266 :PGTENTPMIAGLGKAAELVTQNCEAYEAHMRDVRDYLEERLEAE 1u08A 266 :TFSVNTPAQLALADMLRAEPEHYLALPDFYRQKRDILVNALNES T0339 314 :RIHLNSQFP 1u08A 310 :RLEILPCEG T0339 328 :PNTCNFSIR 1u08A 319 :TYFLLVDYS T0339 337 :GPRLQGHVVLAQCRV 1u08A 329 :VSTLDDVEFCQWLTQ T0339 352 :LMASVGAACH 1u08A 347 :VAAIPLSVFC T0339 362 :SDHG 1u08A 358 :DPFP T0339 383 :RNALRLSVGR 1u08A 362 :HKLIRLCFAK T0339 395 :TRAEVDLVVQDL 1u08A 372 :KESTLLAAAERL Number of specific fragments extracted= 25 number of extra gaps= 0 total=2337 Number of alignments=104 # 1u08A read from 1u08A/merged-good-all-a2m # found chain 1u08A in template set T0339 4 :VYMDYNATT 1u08A 33 :INLSQGFPD T0339 13 :PLEPEVIQAMTKAMWEAWGNPS 1u08A 43 :DGPRYLQERLAHHVAQGANQYA T0339 37 :YS 1u08A 67 :TG T0339 43 :AKDIINAARESLAKMIGG 1u08A 69 :VQALREAIAQKTERLYGY T0339 61 :KPQD 1u08A 89 :DADS T0339 65 :IIFTSGGTESNNLVIHSV 1u08A 94 :ITVTAGATEALYAAITAL T0339 104 :KGAKPHFITSSVEHDSIRLPLEHL 1u08A 112 :VRNGDEVICFDPSYDSYAPAIALS T0339 132 :VAAVTFVPVSKVSGQTEVDDILAAVRPTTRLVTIMLANNETGIVMP 1u08A 136 :GGIVKRMALQPPHFRVDWQEFAALLSERTRLVILNTPHNPSATVWQ T0339 178 :VPEISQRIKA 1u08A 185 :FAALWQAIAG T0339 198 :PPILVHTDAAQALGKQRVD 1u08A 195 :HEIFVISDEVYEHINFSQQ T0339 219 :DLGVDFLTIVGHKFYGPR 1u08A 224 :LRERAVAVSSFGKTYHMT T0339 237 :IGALYIRGLGEFTPLYPM 1u08A 245 :VGYCVAPAPISAEIRKVH T0339 265 :RPGTENTPMIAGLGKAAELVTQNCEAYEAHMRDVRDYLEERLEAEFG 1u08A 265 :LTFSVNTPAQLALADMLRAEPEHYLALPDFYRQKRDILVNALNESRL T0339 313 :KRIH 1u08A 312 :EILP T0339 325 :QRLPNTCNFSIRG 1u08A 316 :CEGTYFLLVDYSA T0339 338 :PRLQGHVV 1u08A 332 :LDDVEFCQ T0339 346 :LAQCRVLMASVGAACHSDHG 1u08A 341 :LTQEHGVAAIPLSVFCADPF T0339 382 :ARNALRLSVG 1u08A 361 :PHKLIRLCFA T0339 394 :TTRAEVDLVVQDL 1u08A 371 :KKESTLLAAAERL Number of specific fragments extracted= 19 number of extra gaps= 0 total=2356 Number of alignments=105 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1m7yA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0339 read from 1m7yA/merged-good-all-a2m # 1m7yA read from 1m7yA/merged-good-all-a2m # found chain 1m7yA in training set T0339 14 :LEPEVIQAMTKAMWEAWGNPSS 1m7yA 87 :GLPAFKKAMVDFMAEIRGNKVT T0339 60 :GKPQDIIFTSGGTESNNLVIHSVV 1m7yA 109 :FDPNHLVLTAGATSANETFIFCLA T0339 105 :GAKPHFITSSVEHDSIRLPLE 1m7yA 133 :DPGEAVLIPTPYYPGFDRDLK T0339 129 :EEQVAAVTFVPVSKVSG 1m7yA 154 :WRTGVEIVPIHCTSSNG T0339 146 :QTEVDDILAAV 1m7yA 172 :QITETALEEAY T0339 157 :RP 1m7yA 188 :RN T0339 159 :TTRLVTIMLANNETGIVMP 1m7yA 191 :RVKGVLVTNPSNPLGTTMT T0339 178 :VPEISQRIKALN 1m7yA 213 :LYLLLSFVEDKG T0339 200 :ILVHTDAAQALGKQRVD 1m7yA 225 :IHLISDEIYSGTAFSSP T0339 217 :VEDLGVD 1m7yA 250 :LKDRNCD T0339 224 :FLTIVGHKFYGP 1m7yA 266 :HVVYSLSKDLGL T0339 236 :R 1m7yA 279 :G T0339 237 :IGALYIRG 1m7yA 282 :VGAIYSND T0339 246 :GE 1m7yA 290 :DM T0339 264 :FRPGTENTPMIAGLGKAAE 1m7yA 300 :SSFGLVSSQTQHLLSAMLS T0339 283 :LVTQNCEAYEAHMRDVRDYLEERLEAE 1m7yA 322 :LTKNYIAENHKRLKQRQKKLVSGLQKS T0339 311 :G 1m7yA 349 :G T0339 315 :IHLNSQ 1m7yA 350 :ISCLNG T0339 326 :RLPNTCNFSI 1m7yA 356 :NAGLFCWVDM T0339 336 :RG 1m7yA 370 :RS T0339 340 :LQGHVVLAQCRV 1m7yA 372 :NTFEAEMELWKK T0339 352 :LMASVGAACHSDH 1m7yA 390 :LNISPGSSCHCTE T0339 383 :RNALRLSVGR 1m7yA 403 :PGWFRVCFAN T0339 394 :TTRAEVDLVVQDLKQAVAQ 1m7yA 413 :LPERTLDLAMQRLKAFVGE Number of specific fragments extracted= 24 number of extra gaps= 0 total=2380 Number of alignments=106 # 1m7yA read from 1m7yA/merged-good-all-a2m # found chain 1m7yA in training set T0339 3 :KVYMDYNATTPLEPEVIQAMTK 1m7yA 39 :GIIQMGLAENQLCFDLLESWLA T0339 25 :AMWE 1m7yA 78 :ELAL T0339 34 :SSPYSA 1m7yA 82 :FQDYHG T0339 43 :AKDIINAARESLAKMIG 1m7yA 88 :LPAFKKAMVDFMAEIRG T0339 60 :GKPQDIIFTSGGTESNNLVIHSV 1m7yA 109 :FDPNHLVLTAGATSANETFIFCL T0339 91 :TSKGH 1m7yA 132 :ADPGE T0339 109 :HFITSSVEHDSIRLPL 1m7yA 137 :AVLIPTPYYPGFDRDL T0339 128 :VEEQVAAVTFVPVSKV 1m7yA 153 :KWRTGVEIVPIHCTSS T0339 144 :SGQTEVDDILAAVR 1m7yA 170 :GFQITETALEEAYQ T0339 158 :PT 1m7yA 188 :RN T0339 160 :TRLVTIMLANNETGIVMPVPEISQ 1m7yA 192 :VKGVLVTNPSNPLGTTMTRNELYL T0339 185 :IKALNQER 1m7yA 216 :LLSFVEDK T0339 199 :PILVHTDAAQALGKQR 1m7yA 224 :GIHLISDEIYSGTAFS T0339 215 :V 1m7yA 259 :S T0339 218 :EDLGVDFLTIVGHK 1m7yA 260 :EVWQRVHVVYSLSK T0339 232 :FY 1m7yA 275 :LG T0339 234 :GPRIGALYIR 1m7yA 279 :GFRVGAIYSN T0339 244 :G 1m7yA 290 :D T0339 245 :LGEFTPLYPM 1m7yA 292 :VVAAATKMSS T0339 266 :PGTENTPMIAGLGKAAE 1m7yA 302 :FGLVSSQTQHLLSAMLS T0339 283 :LVTQNCEAYEAHMRDVRDYLEERLEAE 1m7yA 322 :LTKNYIAENHKRLKQRQKKLVSGLQKS T0339 314 :RIHLNSQFP 1m7yA 349 :GISCLNGNA T0339 328 :PNTCNFSIR 1m7yA 358 :GLFCWVDMR T0339 337 :GP 1m7yA 370 :RS T0339 340 :LQGHVVLAQCRV 1m7yA 372 :NTFEAEMELWKK T0339 352 :LMASVGAACHSDH 1m7yA 390 :LNISPGSSCHCTE T0339 383 :RNALRLSVG 1m7yA 403 :PGWFRVCFA T0339 393 :STTRAEVDLVVQDLKQAVAQ 1m7yA 412 :NLPERTLDLAMQRLKAFVGE Number of specific fragments extracted= 28 number of extra gaps= 0 total=2408 Number of alignments=107 # 1m7yA read from 1m7yA/merged-good-all-a2m # found chain 1m7yA in training set T0339 15 :EPEVIQAMTKAMWEAWGNPS 1m7yA 88 :LPAFKKAMVDFMAEIRGNKV T0339 59 :GGKPQDIIFTSGGTESNNLVIHSV 1m7yA 108 :TFDPNHLVLTAGATSANETFIFCL T0339 104 :KGAKPHFITSSVEHDSIRLPLE 1m7yA 132 :ADPGEAVLIPTPYYPGFDRDLK T0339 129 :EEQVAAVTFVPVS 1m7yA 154 :WRTGVEIVPIHCT T0339 142 :KVSGQTEVDDILAAV 1m7yA 168 :SNGFQITETALEEAY T0339 159 :TTRLVTIMLANNETGIVMP 1m7yA 191 :RVKGVLVTNPSNPLGTTMT T0339 178 :VPEISQRIKA 1m7yA 213 :LYLLLSFVED T0339 198 :PPILVHTDAAQALGKQRVD 1m7yA 223 :KGIHLISDEIYSGTAFSSP T0339 217 :VEDLGVD 1m7yA 250 :LKDRNCD T0339 224 :FLTIVGHKFYGPR 1m7yA 266 :HVVYSLSKDLGLP T0339 237 :IGALYIRGLGEFTPLYPMLF 1m7yA 282 :VGAIYSNDDMVVAAATKMSS T0339 266 :PGTENTPMIAGLGKAAE 1m7yA 302 :FGLVSSQTQHLLSAMLS T0339 283 :LVTQNCEAYEAHMRDVRDYLEERLEA 1m7yA 322 :LTKNYIAENHKRLKQRQKKLVSGLQK T0339 310 :FGQKRIH 1m7yA 348 :SGISCLN T0339 325 :QRLPNTCNFSI 1m7yA 355 :GNAGLFCWVDM T0339 336 :RGPRLQGHVVLAQ 1m7yA 370 :RSNTFEAEMELWK T0339 349 :CRVLMASVGAACHSDHG 1m7yA 387 :EVHLNISPGSSCHCTEP T0339 384 :NALRLSVGR 1m7yA 404 :GWFRVCFAN T0339 394 :TTRAEVDLVVQDLKQAVAQ 1m7yA 413 :LPERTLDLAMQRLKAFVGE Number of specific fragments extracted= 19 number of extra gaps= 0 total=2427 Number of alignments=108 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1pmmA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1pmmA expands to /projects/compbio/data/pdb/1pmm.pdb.gz 1pmmA:Skipped atom 1019, because occupancy 0.500 <= existing 0.500 in 1pmmA Skipped atom 1021, because occupancy 0.500 <= existing 0.500 in 1pmmA Skipped atom 1023, because occupancy 0.500 <= existing 0.500 in 1pmmA Skipped atom 1947, because occupancy 0.500 <= existing 0.500 in 1pmmA Skipped atom 3346, because occupancy 0.500 <= existing 0.500 in 1pmmA Skipped atom 3348, because occupancy 0.500 <= existing 0.500 in 1pmmA Skipped atom 3350, because occupancy 0.500 <= existing 0.500 in 1pmmA # T0339 read from 1pmmA/merged-good-all-a2m # 1pmmA read from 1pmmA/merged-good-all-a2m # adding 1pmmA to template set # found chain 1pmmA in template set T0339 11 :TTPLEPEVIQAMTK 1pmmA 65 :QTWDDENVHKLMDL T0339 28 :EAWGNPSSPYSAGRKAKDII 1pmmA 79 :SINKNWIDKEEYPQSAAIDL T0339 49 :AARESLAKMIGG 1pmmA 99 :RCVNMVADLWHA T0339 61 :KPQ 1pmmA 112 :APK T0339 65 :IIFTSGGTESNNLVIHSVVKHFHANQTSKGHT 1pmmA 120 :GTNTIGSSEACMLGGMAMKWRWRKRMEAAGKP T0339 105 :GAKPHFITSS 1pmmA 152 :TDKPNLVCGP T0339 120 :IRLPLEHLVEEQVAAVTFVPVSKVSGQTEVDDILAAVRPTTRLVTIMLANNETGIVMPVPEISQRIKALN 1pmmA 162 :VQICWHKFARYWDVELREIPMRPGQLFMDPKRMIEACDENTIGVVPTFGVTYTGNYEFPQPLHDALDKFQ T0339 194 :AAGLPPILVHTDAAQAL 1pmmA 232 :ADTGIDIDMHIDAASGG T0339 211 :GKQRVDV 1pmmA 256 :PDIVWDF T0339 219 :DLG 1pmmA 263 :RLP T0339 222 :VDFLTIVGHKFY 1pmmA 267 :VKSISASGHKFG T0339 234 :GP 1pmmA 280 :AP T0339 236 :RIGALYIRGLGEFTP 1pmmA 283 :GCGWVIWRDEEALPQ T0339 251 :LYPMLFGGGQ 1pmmA 299 :LVFNVDYLGG T0339 261 :ERNFRP 1pmmA 316 :NFSRPA T0339 272 :PMIAGLGKAAELVTQ 1pmmA 322 :GQVIAQYYEFLRLGR T0339 289 :EAYEAHMRDVRDYLE 1pmmA 337 :EGYTKVQNASYQVAA T0339 304 :ERLEAEFG 1pmmA 355 :DEIAKLGP T0339 315 :IHLNSQFPGTQRLP 1pmmA 363 :YEFICTGRPDEGIP T0339 330 :TCNFSIRGP 1pmmA 377 :AVCFKLKDG T0339 339 :RLQGHVVLAQCRV 1pmmA 389 :GYTLYDLSERLRL T0339 352 :LM 1pmmA 404 :WQ T0339 377 :VPFDVARN 1pmmA 406 :VPAFTLGG T0339 385 :ALRLSVGRSTTRAEVDLVVQDLKQAVAQLEDQ 1pmmA 420 :VMRIMCRRGFEMDFAELLLEDYKASLKYLSDH Number of specific fragments extracted= 24 number of extra gaps= 0 total=2451 Number of alignments=109 # 1pmmA read from 1pmmA/merged-good-all-a2m # found chain 1pmmA in template set T0339 5 :YMDYNATTPLEPE 1pmmA 59 :NLATFCQTWDDEN T0339 22 :MTKAMWEAWGNPSSPYSAGRKAKDIINAARESLAKMIGGK 1pmmA 72 :VHKLMDLSINKNWIDKEEYPQSAAIDLRCVNMVADLWHAP T0339 62 :PQ 1pmmA 113 :PK T0339 64 :DIIFTSGGTESNNLVIHSVVKHFHANQTSKGH 1pmmA 119 :VGTNTIGSSEACMLGGMAMKWRWRKRMEAAGK T0339 104 :KGAKPHFITS 1pmmA 151 :PTDKPNLVCG T0339 115 :VEHDSIRLPLEHL 1pmmA 161 :PVQICWHKFARYW T0339 132 :VAAVTFVPVSKVSGQTEVDDILAAVRPTTRLVTIMLANNETGIVMPVPEISQRIKALNQER 1pmmA 174 :DVELREIPMRPGQLFMDPKRMIEACDENTIGVVPTFGVTYTGNYEFPQPLHDALDKFQADT T0339 196 :GL 1pmmA 235 :GI T0339 199 :PILVHTDAAQALGKQR 1pmmA 237 :DIDMHIDAASGGFLAP T0339 215 :VDVEDLGVDFLTIVGHKFY 1pmmA 260 :WDFRLPRVKSISASGHKFG T0339 234 :GPRIGALYIR 1pmmA 281 :PLGCGWVIWR T0339 244 :G 1pmmA 292 :E T0339 245 :LGEFTPLYPMLFGGGQERNFRPGTENTPMIAGLGKAAELVTQ 1pmmA 295 :LPQELVFNVDYLGGQIGTFAINFSRPAGQVIAQYYEFLRLGR T0339 287 :NCEAYEAHMRDVRDYLEERLEA 1pmmA 338 :GYTKVQNASYQVAAYLADEIAK T0339 312 :QKRIHLNSQFPGTQR 1pmmA 360 :LGPYEFICTGRPDEG T0339 328 :PNTCNFSIRGPR 1pmmA 375 :IPAVCFKLKDGE T0339 340 :LQGHVVLAQCRV 1pmmA 390 :YTLYDLSERLRL T0339 352 :LMASVGAACHSDHG 1pmmA 404 :WQVPAFTLGGEATD T0339 383 :RNALRLSVGRSTTRAEVDLVVQDLKQAVAQLEDQ 1pmmA 418 :IVVMRIMCRRGFEMDFAELLLEDYKASLKYLSDH Number of specific fragments extracted= 19 number of extra gaps= 0 total=2470 Number of alignments=110 # 1pmmA read from 1pmmA/merged-good-all-a2m # found chain 1pmmA in template set T0339 9 :NATTPLEPEVIQAMTKA 1pmmA 63 :FCQTWDDENVHKLMDLS T0339 29 :AWGNPS 1pmmA 80 :INKNWI T0339 36 :PYSAGRKAKDIINAARESLAKMIGG 1pmmA 86 :DKEEYPQSAAIDLRCVNMVADLWHA T0339 61 :KPQD 1pmmA 112 :APKN T0339 65 :IIFTSGGTESNNLVIHSVVKHFHANQTSKGH 1pmmA 120 :GTNTIGSSEACMLGGMAMKWRWRKRMEAAGK T0339 104 :KGAKPHFITSSV 1pmmA 151 :PTDKPNLVCGPV T0339 121 :RLPLEHLVEEQVAAVTFVPVSKVSGQTEVDDILAAVRPTTRLVTIMLANNETGIVMPVPEISQRIKALNQERV 1pmmA 163 :QICWHKFARYWDVELREIPMRPGQLFMDPKRMIEACDENTIGVVPTFGVTYTGNYEFPQPLHDALDKFQADTG T0339 198 :PPILVHTDAAQALGK 1pmmA 236 :IDIDMHIDAASGGFL T0339 213 :QRVDVEDLGVDFLTIVGHKFYGPR 1pmmA 258 :IVWDFRLPRVKSISASGHKFGLAP T0339 237 :IGALYIRGLGEFTPLYPM 1pmmA 284 :CGWVIWRDEEALPQELVF T0339 261 :ERNFRPGTENTPMIAGLGKAAELVT 1pmmA 311 :GTFAINFSRPAGQVIAQYYEFLRLG T0339 286 :QNCEAYEAHMRDVRDYLEERLEAEFGQKRIH 1pmmA 337 :EGYTKVQNASYQVAAYLADEIAKLGPYEFIC T0339 320 :QFPGTQRLPNTCNFSIRG 1pmmA 368 :TGRPDEGIPAVCFKLKDG T0339 338 :PRLQGHVVLAQCRVLMASV 1pmmA 390 :YTLYDLSERLRLRGWQVPA T0339 380 :DVARN 1pmmA 409 :FTLGG T0339 385 :ALRLSVGRSTTRAEVDLVVQDLKQAVAQLE 1pmmA 420 :VMRIMCRRGFEMDFAELLLEDYKASLKYLS Number of specific fragments extracted= 16 number of extra gaps= 0 total=2486 Number of alignments=111 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1ecxA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1ecxA expands to /projects/compbio/data/pdb/1ecx.pdb.gz 1ecxA:# T0339 read from 1ecxA/merged-good-all-a2m # 1ecxA read from 1ecxA/merged-good-all-a2m # adding 1ecxA to template set # found chain 1ecxA in template set Warning: unaligning (T0339)V356 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ecxA)H333 Warning: unaligning (T0339)P370 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ecxA)H333 Warning: unaligning (T0339)V390 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ecxA)C354 Warning: unaligning (T0339)G391 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ecxA)C354 Warning: unaligning (T0339)L413 because last residue in template chain is (1ecxA)L376 T0339 3 :KVYMDYNATTPLEPEVIQAMTKAMWEAWGNPSSPYSAGRKAKDIINAARESLAKMIGGKPQDIIFTSGGTESNNLVIHSVVKHFH 1ecxA 2 :RVYFDNNATTRVDDRVLEEMIVFYREKYGNPNSAHGMGIEANLHMEKAREKVAKVLGVSPSEIFFTSCATESINWILKTVAETFE T0339 105 :GAKPHFITSSVEHDSIRLPLEHL 1ecxA 87 :KRKRTIITTPIEHKAVLETMKYL T0339 129 :EEQVAAVTFVPVSK 1ecxA 110 :SMKGFKVKYVPVDS T0339 144 :SGQTEVDDILAAVRPTTRLVTIMLANNETGIVMPVPEISQRIKALN 1ecxA 124 :RGVVKLEELEKLVDEDTFLVSIMAANNEVGTIQPVEDVTRIVKKKN T0339 198 :PPILVHTDAAQALGKQRVDVEDLGVDFLTIVGHKFYGP 1ecxA 170 :KETLVHVDAVQTIGKIPFSLEKLEVDYASFSAHKFHGP T0339 236 :RIGALYIRG 1ecxA 209 :GVGITYIRK T0339 246 :G 1ecxA 218 :G T0339 249 :TPLYPMLFGGGQERNFRPGTENTPMIAGLGKAAELVTQNCEAYEAHMRDVRDYLEERLEAE 1ecxA 219 :VPIRPLIHGGGQERGLRSGTQNVPGIVGAARAMEIAVEELSEAAKHMEKLRSKLVSGLMNL T0339 311 :G 1ecxA 280 :G T0339 315 :IHLNSQ 1ecxA 281 :AHIITP T0339 323 :GTQRLPNTCNFSIRG 1ecxA 287 :LEISLPNTLSVSFPN T0339 340 :LQGHVVLAQCRV 1ecxA 302 :IRGSTLQNLLSG T0339 352 :LMAS 1ecxA 316 :IYVS T0339 371 :VLLSYGVPFDVARNALRLS 1ecxA 334 :VLDAMGVDRRIAQGAIRIS T0339 392 :RSTTRAEVDLVVQDLKQAVAQ 1ecxA 355 :KYNTEEEVDYFLKKIEEILSF Number of specific fragments extracted= 15 number of extra gaps= 1 total=2501 Number of alignments=112 # 1ecxA read from 1ecxA/merged-good-all-a2m # found chain 1ecxA in template set Warning: unaligning (T0339)V356 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ecxA)H333 Warning: unaligning (T0339)P370 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ecxA)H333 Warning: unaligning (T0339)V390 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ecxA)C354 Warning: unaligning (T0339)G391 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ecxA)C354 Warning: unaligning (T0339)L413 because last residue in template chain is (1ecxA)L376 T0339 3 :KVYMDYNATTPLEPEVIQAMTKAMWEAWGNPSSPYSAGRKAKDIINAARESLAKMIGGKPQDIIFTSGGTESNNLVIHSVVKHFHAN 1ecxA 2 :RVYFDNNATTRVDDRVLEEMIVFYREKYGNPNSAHGMGIEANLHMEKAREKVAKVLGVSPSEIFFTSCATESINWILKTVAETFEKR T0339 94 :GH 1ecxA 89 :KR T0339 109 :HFITSSVEHDSIRLPLEHL 1ecxA 91 :TIITTPIEHKAVLETMKYL T0339 129 :EEQVAAVTFVPVSK 1ecxA 110 :SMKGFKVKYVPVDS T0339 144 :SGQTEVDDILAAVRPTTRLVTIMLANNETGIVMPVPEISQ 1ecxA 124 :RGVVKLEELEKLVDEDTFLVSIMAANNEVGTIQPVEDVTR T0339 188 :LNQER 1ecxA 164 :IVKKK T0339 197 :LPPILVHTDAAQALGKQRVDVEDLGVDFLTIVGHK 1ecxA 169 :NKETLVHVDAVQTIGKIPFSLEKLEVDYASFSAHK T0339 232 :FYGPRIGALYIR 1ecxA 205 :HGPKGVGITYIR T0339 247 :EFTPLYPMLFGGGQERNFRPGTENTPMIAGLGKAAELVTQNCEAYEAHMRDVRDYLEERLEAE 1ecxA 217 :KGVPIRPLIHGGGQERGLRSGTQNVPGIVGAARAMEIAVEELSEAAKHMEKLRSKLVSGLMNL T0339 314 :RIHLNSQFP 1ecxA 280 :GAHIITPLE T0339 325 :QRLPNTCNFSIRG 1ecxA 289 :ISLPNTLSVSFPN T0339 340 :LQGHVVLAQCRV 1ecxA 302 :IRGSTLQNLLSG T0339 352 :LMAS 1ecxA 316 :IYVS T0339 371 :VLLSYGVPFDVARNALRLS 1ecxA 334 :VLDAMGVDRRIAQGAIRIS T0339 392 :RSTTRAEVDLVVQDLKQAVAQ 1ecxA 355 :KYNTEEEVDYFLKKIEEILSF Number of specific fragments extracted= 15 number of extra gaps= 1 total=2516 Number of alignments=113 # 1ecxA read from 1ecxA/merged-good-all-a2m # found chain 1ecxA in template set Warning: unaligning (T0339)V356 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ecxA)H333 Warning: unaligning (T0339)P370 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ecxA)H333 Warning: unaligning (T0339)V390 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ecxA)C354 Warning: unaligning (T0339)G391 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ecxA)C354 T0339 4 :VYMDYNATTPLEPEVIQAMTKAMWEAWGNPSSPYSAGRKAKDIINAARESLAKMIGGKPQDIIFTSGGTESNNLVIHSV 1ecxA 3 :VYFDNNATTRVDDRVLEEMIVFYREKYGNPNSAHGMGIEANLHMEKAREKVAKVLGVSPSEIFFTSCATESINWILKTV T0339 100 :HSPVKGAKPHFITSSVEHDSIRLPLEHL 1ecxA 82 :AETFEKRKRTIITTPIEHKAVLETMKYL T0339 129 :EEQVAAVTFVPVS 1ecxA 110 :SMKGFKVKYVPVD T0339 143 :VSGQTEVDDILAAVRPTTRLVTIMLANNETGIVMPVPEISQRIKA 1ecxA 123 :SRGVVKLEELEKLVDEDTFLVSIMAANNEVGTIQPVEDVTRIVKK T0339 196 :GLPPILVHTDAAQALGKQRVDVEDLGVDFLTIVGHKFYGPR 1ecxA 168 :KNKETLVHVDAVQTIGKIPFSLEKLEVDYASFSAHKFHGPK T0339 237 :IGALYIRGLGEFT 1ecxA 210 :VGITYIRKGVPIR T0339 253 :PMLFGGGQERNFRPGTENTPMIAGLGKAAELVTQNCEAYEAHMRDVRDYLEERLEAEFGQKRIH 1ecxA 223 :PLIHGGGQERGLRSGTQNVPGIVGAARAMEIAVEELSEAAKHMEKLRSKLVSGLMNLGAHIITP T0339 323 :GTQRLPNTCNFSIRGPRLQGHVVLAQCRVLMAS 1ecxA 287 :LEISLPNTLSVSFPNIRGSTLQNLLSGYGIYVS T0339 371 :VLLSYGVPFDVARNALRLS 1ecxA 334 :VLDAMGVDRRIAQGAIRIS T0339 392 :RSTTRAEVDLVVQDLKQAVAQ 1ecxA 355 :KYNTEEEVDYFLKKIEEILSF Number of specific fragments extracted= 10 number of extra gaps= 1 total=2526 Number of alignments=114 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1yjsA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1yjsA expands to /projects/compbio/data/pdb/1yjs.pdb.gz 1yjsA:# T0339 read from 1yjsA/merged-good-all-a2m # 1yjsA read from 1yjsA/merged-good-all-a2m # adding 1yjsA to template set # found chain 1yjsA in template set Warning: unaligning (T0339)E28 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1yjsA)N49 Warning: unaligning (T0339)F256 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1yjsA)P252 Warning: unaligning (T0339)G257 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1yjsA)P252 T0339 4 :VYM 1yjsA 26 :IEL T0339 8 :YNATTPLEPEVIQAM 1yjsA 29 :IASENFVSRAVMEAQ T0339 29 :AWGN 1yjsA 50 :KYAE T0339 33 :P 1yjsA 56 :P T0339 34 :SSPYSA 1yjsA 61 :YGGCEY T0339 43 :AKDIINAARESLAKMIGGKP 1yjsA 67 :VDIVEELARERAKQLFGAEH T0339 65 :IIFTS 1yjsA 87 :ANVQP T0339 70 :GGTESNNLVIHSVV 1yjsA 93 :SGAQANMAVYFTVL T0339 105 :GAKPHFITSSVEHDSI 1yjsA 107 :EHGDTVLGMNLSHGGH T0339 121 :RLPL 1yjsA 130 :NFSG T0339 129 :EE 1yjsA 134 :VQ T0339 133 :AAVTFVPVSKVSGQTEVDDILAAV 1yjsA 136 :YNFVAYGVDPETHVIDYDDVREKA T0339 159 :TTRLVTIMLAN 1yjsA 163 :RPKLIVAAASA T0339 172 :TGIVMPVPEISQRIKALN 1yjsA 174 :YPRIIDFAKFREIADEVG T0339 200 :ILVHTDAAQ 1yjsA 192 :AYLMVDMAH T0339 209 :ALGKQRVDVE 1yjsA 206 :AAGLHPNPVP T0339 221 :GVDFLTIVGHKFY 1yjsA 216 :YAHFVTTTTHQTL T0339 234 :GPRIGALYIRG 1yjsA 230 :GPRGGMILCQE T0339 246 :GEFTPLYPML 1yjsA 241 :QFAKQIDKAI T0339 258 :G 1yjsA 253 :G T0339 265 :RPGTENTPMIAGLGKAAELVTQ 1yjsA 254 :IQGGPLMHVIAAKAVAFGEALQ T0339 287 :NCEAYEAHMRDVRDYLEERLEA 1yjsA 277 :DFKAYAKRVVDNAKRLASALQN T0339 310 :FG 1yjsA 299 :EG T0339 315 :IHLNSQ 1yjsA 301 :FTLVSG T0339 323 :GTQ 1yjsA 307 :GTD T0339 328 :PNTCNFSIRGPRLQGHVVLAQCRVLMASVG 1yjsA 310 :NHLLLVDLRPQQLTGKTAEKVLDEVGITVN T0339 360 :CHSDHGD 1yjsA 341 :NTIPYDP T0339 377 :VPFDVA 1yjsA 348 :ESPFVT T0339 384 :NALRLSV 1yjsA 354 :SGIRIGT T0339 391 :GRSTTRAEVDLVVQDLKQAV 1yjsA 365 :TRGFGLEEMDEIAAIIGLVL Number of specific fragments extracted= 30 number of extra gaps= 2 total=2556 Number of alignments=115 # 1yjsA read from 1yjsA/merged-good-all-a2m # found chain 1yjsA in template set Warning: unaligning (T0339)L255 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1yjsA)P252 Warning: unaligning (T0339)F256 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1yjsA)P252 T0339 4 :VYM 1yjsA 26 :IEL T0339 8 :YNATTPLEPEVIQA 1yjsA 29 :IASENFVSRAVMEA T0339 31 :GNPSSP 1yjsA 54 :GYPGRR T0339 37 :YSAGRKAKDIINAARESLAKMIGG 1yjsA 61 :YGGCEYVDIVEELARERAKQLFGA T0339 63 :QDIIFTS 1yjsA 85 :EHANVQP T0339 70 :GGTESNNLVIHSV 1yjsA 93 :SGAQANMAVYFTV T0339 91 :TSKGH 1yjsA 106 :LEHGD T0339 109 :HFITSSVEHDS 1yjsA 111 :TVLGMNLSHGG T0339 122 :LPLEHL 1yjsA 131 :FSGVQY T0339 134 :AVTFVPVSKVSGQTEVDDILAAVR 1yjsA 137 :NFVAYGVDPETHVIDYDDVREKAR T0339 158 :PTTRLVT 1yjsA 162 :HRPKLIV T0339 167 :LANNETGIVMPVPEISQ 1yjsA 169 :AAASAYPRIIDFAKFRE T0339 188 :LNQER 1yjsA 186 :IADEV T0339 199 :PILVHTDAAQ 1yjsA 191 :GAYLMVDMAH T0339 209 :ALGKQ 1yjsA 203 :GLVAA T0339 215 :VD 1yjsA 210 :HP T0339 217 :VED 1yjsA 214 :VPY T0339 222 :VDFLTIVGHK 1yjsA 217 :AHFVTTTTHQ T0339 232 :FYGPRIGALYIR 1yjsA 228 :LRGPRGGMILCQ T0339 244 :GLGEFT 1yjsA 241 :QFAKQI T0339 251 :LYPM 1yjsA 247 :DKAI T0339 257 :G 1yjsA 253 :G T0339 266 :PGTENTPM 1yjsA 254 :IQGGPLMH T0339 274 :IAGLGKAAELVTQ 1yjsA 263 :IAAKAVAFGEALQ T0339 287 :NCEAYEAHMRDVRDYLEERLEAE 1yjsA 277 :DFKAYAKRVVDNAKRLASALQNE T0339 314 :RIHLNS 1yjsA 300 :GFTLVS T0339 322 :PGTQ 1yjsA 306 :GGTD T0339 328 :PNTCNFSIRGPRLQGHVVLAQCRV 1yjsA 310 :NHLLLVDLRPQQLTGKTAEKVLDE T0339 352 :LMASVGAACHSDHGDQP 1yjsA 336 :ITVNKNTIPYDPESPFV T0339 383 :RNALRLSV 1yjsA 353 :TSGIRIGT T0339 391 :GRSTTRAEVDLVVQDLKQAV 1yjsA 365 :TRGFGLEEMDEIAAIIGLVL T0339 411 :AQLED 1yjsA 394 :EEARQ Number of specific fragments extracted= 32 number of extra gaps= 1 total=2588 Number of alignments=116 # 1yjsA read from 1yjsA/merged-good-all-a2m # found chain 1yjsA in template set Warning: unaligning (T0339)L255 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1yjsA)P252 Warning: unaligning (T0339)F256 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1yjsA)P252 T0339 9 :NATTPLEPEVIQAM 1yjsA 30 :ASENFVSRAVMEAQ T0339 30 :WGNPS 1yjsA 53 :EGYPG T0339 35 :SPYSAGRKAKDIINAARESLAKMIGG 1yjsA 59 :RYYGGCEYVDIVEELARERAKQLFGA T0339 65 :IIFTSGGTESNNLVIHSV 1yjsA 88 :NVQPHSGAQANMAVYFTV T0339 104 :KGAKPHFITSSVEHDSIR 1yjsA 106 :LEHGDTVLGMNLSHGGHL T0339 122 :LPLEH 1yjsA 131 :FSGVQ T0339 133 :AAVTFVPVSKVSGQTEVDDILAAV 1yjsA 136 :YNFVAYGVDPETHVIDYDDVREKA T0339 161 :R 1yjsA 165 :K T0339 164 :TIMLANNETGIVMPVPEISQRIKA 1yjsA 166 :LIVAAASAYPRIIDFAKFREIADE T0339 198 :PPILVHTDAAQ 1yjsA 190 :VGAYLMVDMAH T0339 209 :ALGKQRVDVE 1yjsA 206 :AAGLHPNPVP T0339 221 :GVDFLTIVGHKFYGPR 1yjsA 216 :YAHFVTTTTHQTLRGP T0339 237 :IGALYIRGLGEFTPLYPM 1yjsA 233 :GGMILCQEQFAKQIDKAI T0339 257 :GG 1yjsA 253 :GI T0339 266 :PGTENTPMIAGLGKAAELVT 1yjsA 255 :QGGPLMHVIAAKAVAFGEAL T0339 286 :QNCEAYEAHMRDVRDYLEERLEAE 1yjsA 276 :DDFKAYAKRVVDNAKRLASALQNE T0339 311 :GQKRIH 1yjsA 300 :GFTLVS T0339 322 :PGTQRLPNTCNFSIRGPRLQGHVVLAQCRVLMASVGAACHSDHG 1yjsA 306 :GGTDNHLLLVDLRPQQLTGKTAEKVLDEVGITVNKNTIPYDPES T0339 380 :DVARNALRLSVG 1yjsA 350 :PFVTSGIRIGTA T0339 392 :RSTTRAEVDLVVQDLK 1yjsA 366 :RGFGLEEMDEIAAIIG Number of specific fragments extracted= 20 number of extra gaps= 1 total=2608 Number of alignments=117 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1eg5A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1eg5A expands to /projects/compbio/data/pdb/1eg5.pdb.gz 1eg5A:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # T0339 read from 1eg5A/merged-good-all-a2m # 1eg5A read from 1eg5A/merged-good-all-a2m # adding 1eg5A to template set # found chain 1eg5A in template set Warning: unaligning (T0339)V356 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1eg5A)H333 Warning: unaligning (T0339)P370 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1eg5A)H333 Warning: unaligning (T0339)L413 because last residue in template chain is (1eg5A)L376 T0339 3 :KVYMDYNATTPLEPEVIQAMTKAMWEAWGNPSSPYSAGRKAKDIINAARESLAKMIGGKPQDIIFTSGGTESNNLVIHSVVKHFH 1eg5A 2 :RVYFDNNATTRVDDRVLEEMIVFYREKYGNPNSAHGMGIEANLHMEKAREKVAKVLGVSPSEIFFTSCATESINWILKTVAETFE T0339 105 :GAKPHFITSSVEHDSIRLPLEHL 1eg5A 87 :KRKRTIITTPIEHKAVLETMKYL T0339 129 :EEQVAAVTFVPVSK 1eg5A 110 :SMKGFKVKYVPVDS T0339 144 :SGQTEVDDILAAVRPTTRLVTIMLANNETGIVMPVPEISQRIKALN 1eg5A 124 :RGVVKLEELEKLVDEDTFLVSIMAANNEVGTIQPVEDVTRIVKKKN T0339 198 :PPILVHTDAAQALGKQRVDVEDLGVDFLTIVGHKFYGP 1eg5A 170 :KETLVHVDAVQTIGKIPFSLEKLEVDYASFSAHKFHGP T0339 236 :RIGALYIRG 1eg5A 209 :GVGITYIRK T0339 246 :G 1eg5A 218 :G T0339 249 :TPLYPMLFGGGQERNFRPGTENTPMIAGLGKAAELVTQNCEAYEAHMRDVRDYLEERLEAE 1eg5A 219 :VPIRPLIHGGGQERGLRSGTQNVPGIVGAARAMEIAVEELSEAAKHMEKLRSKLVSGLMNL T0339 311 :G 1eg5A 280 :G T0339 315 :IHLNSQ 1eg5A 281 :AHIITP T0339 323 :GTQRLPNTCNFSIRG 1eg5A 287 :LEISLPNTLSVSFPN T0339 340 :LQGHVVLAQCRV 1eg5A 302 :IRGSTLQNLLSG T0339 352 :LMAS 1eg5A 316 :IYVS T0339 371 :VLLSYGVPFDVARNALRLSVGRSTTRAEVDLVVQDLKQAVAQ 1eg5A 334 :VLDAMGVDRRIAQGAIRISLCKYNTEEEVDYFLKKIEEILSF Number of specific fragments extracted= 14 number of extra gaps= 0 total=2622 Number of alignments=118 # 1eg5A read from 1eg5A/merged-good-all-a2m # found chain 1eg5A in template set Warning: unaligning (T0339)V356 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1eg5A)H333 Warning: unaligning (T0339)P370 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1eg5A)H333 Warning: unaligning (T0339)L413 because last residue in template chain is (1eg5A)L376 T0339 3 :KVYMDYNATTPLEPEVIQAMTKAMWEAWGNPSSPYSAGRKAKDIINAARESLAKMIGGKPQDIIFTSGGTESNNLVIHSVVKHFHAN 1eg5A 2 :RVYFDNNATTRVDDRVLEEMIVFYREKYGNPNSAHGMGIEANLHMEKAREKVAKVLGVSPSEIFFTSCATESINWILKTVAETFEKR T0339 94 :GH 1eg5A 89 :KR T0339 109 :HFITSSVEHDSIRLPLEHL 1eg5A 91 :TIITTPIEHKAVLETMKYL T0339 129 :EEQVAAVTFVPVSK 1eg5A 110 :SMKGFKVKYVPVDS T0339 144 :SGQTEVDDILAAVRPTTRLVTIMLANNETGIVMPVPEISQ 1eg5A 124 :RGVVKLEELEKLVDEDTFLVSIMAANNEVGTIQPVEDVTR T0339 188 :LNQER 1eg5A 164 :IVKKK T0339 197 :LPPILVHTDAAQALGKQRVDVEDLGVDFLTIVGHK 1eg5A 169 :NKETLVHVDAVQTIGKIPFSLEKLEVDYASFSAHK T0339 232 :FYGPRIGALYIR 1eg5A 205 :HGPKGVGITYIR T0339 247 :EFTPLYPMLFGGGQERNFRPGTENTPMIAGLGKAAELVTQNCEAYEAHMRDVRDYLEERLEAE 1eg5A 217 :KGVPIRPLIHGGGQERGLRSGTQNVPGIVGAARAMEIAVEELSEAAKHMEKLRSKLVSGLMNL T0339 314 :RIHLNSQFP 1eg5A 280 :GAHIITPLE T0339 325 :QRLPNTCNFSIRG 1eg5A 289 :ISLPNTLSVSFPN T0339 340 :LQGHVVLAQCRV 1eg5A 302 :IRGSTLQNLLSG T0339 352 :LMAS 1eg5A 316 :IYVS T0339 371 :VLLSYGVPFDVARNALRLSVGRSTTRAEVDLVVQDLKQAVAQ 1eg5A 334 :VLDAMGVDRRIAQGAIRISLCKYNTEEEVDYFLKKIEEILSF Number of specific fragments extracted= 14 number of extra gaps= 0 total=2636 Number of alignments=119 # 1eg5A read from 1eg5A/merged-good-all-a2m # found chain 1eg5A in template set Warning: unaligning (T0339)V356 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1eg5A)H333 Warning: unaligning (T0339)P370 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1eg5A)H333 Warning: unaligning (T0339)L413 because last residue in template chain is (1eg5A)L376 T0339 4 :VYMDYNATTPLEPEVIQAMTKAMWEAWGNPSSPYSAGRKAKDIINAARESLAKMIGGKPQDIIFTSGGTESNNLVIHSV 1eg5A 3 :VYFDNNATTRVDDRVLEEMIVFYREKYGNPNSAHGMGIEANLHMEKAREKVAKVLGVSPSEIFFTSCATESINWILKTV T0339 100 :HSPVKGAKPHFITSSVEHDSIRLPLEHL 1eg5A 82 :AETFEKRKRTIITTPIEHKAVLETMKYL T0339 129 :EEQVAAVTFVPVS 1eg5A 110 :SMKGFKVKYVPVD T0339 143 :VSGQTEVDDILAAVRPTTRLVTIMLANNETGIVMPVPEISQRIKA 1eg5A 123 :SRGVVKLEELEKLVDEDTFLVSIMAANNEVGTIQPVEDVTRIVKK T0339 196 :GLPPILVHTDAAQALGKQRVDVEDLGVDFLTIVGHKFYGPR 1eg5A 168 :KNKETLVHVDAVQTIGKIPFSLEKLEVDYASFSAHKFHGPK T0339 237 :IGALYIRGLGEFT 1eg5A 210 :VGITYIRKGVPIR T0339 253 :PMLFGGGQERNFRPGTENTPMIAGLGKAAELVTQNCEAYEAHMRDVRDYLEERLEAEFGQKRIH 1eg5A 223 :PLIHGGGQERGLRSGTQNVPGIVGAARAMEIAVEELSEAAKHMEKLRSKLVSGLMNLGAHIITP T0339 323 :GTQRLPNTCNFSIRGPRLQGHVVLAQCRVLMAS 1eg5A 287 :LEISLPNTLSVSFPNIRGSTLQNLLSGYGIYVS T0339 371 :VLLSYGVPFDVARNALRLSVGRSTTRAEVDLVVQDLKQAVAQ 1eg5A 334 :VLDAMGVDRRIAQGAIRISLCKYNTEEEVDYFLKKIEEILSF Number of specific fragments extracted= 9 number of extra gaps= 0 total=2645 Number of alignments=120 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1e5eA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1e5eA expands to /projects/compbio/data/pdb/1e5e.pdb.gz 1e5eA:Skipped atom 813, because occupancy 0.500 <= existing 0.500 in 1e5eA Skipped atom 1030, because occupancy 0.400 <= existing 0.600 in 1e5eA Skipped atom 1032, because occupancy 0.400 <= existing 0.600 in 1e5eA Skipped atom 1034, because occupancy 0.400 <= existing 0.600 in 1e5eA Skipped atom 1036, because occupancy 0.400 <= existing 0.600 in 1e5eA Skipped atom 1560, because occupancy 0.500 <= existing 0.500 in 1e5eA Skipped atom 1562, because occupancy 0.500 <= existing 0.500 in 1e5eA Skipped atom 1564, because occupancy 0.500 <= existing 0.500 in 1e5eA Skipped atom 1566, because occupancy 0.500 <= existing 0.500 in 1e5eA Skipped atom 1726, because occupancy 0.500 <= existing 0.500 in 1e5eA Skipped atom 1728, because occupancy 0.500 <= existing 0.500 in 1e5eA Skipped atom 1730, because occupancy 0.500 <= existing 0.500 in 1e5eA Skipped atom 1732, because occupancy 0.500 <= existing 0.500 in 1e5eA Skipped atom 1758, because occupancy 0.500 <= existing 0.500 in 1e5eA Skipped atom 1760, because occupancy 0.500 <= existing 0.500 in 1e5eA Skipped atom 1762, because occupancy 0.500 <= existing 0.500 in 1e5eA Skipped atom 2077, because occupancy 0.500 <= existing 0.500 in 1e5eA Skipped atom 2079, because occupancy 0.500 <= existing 0.500 in 1e5eA Skipped atom 2081, because occupancy 0.500 <= existing 0.500 in 1e5eA Skipped atom 2083, because occupancy 0.500 <= existing 0.500 in 1e5eA Skipped atom 2329, because occupancy 0.500 <= existing 0.500 in 1e5eA Skipped atom 2331, because occupancy 0.500 <= existing 0.500 in 1e5eA Skipped atom 2333, because occupancy 0.500 <= existing 0.500 in 1e5eA # T0339 read from 1e5eA/merged-good-all-a2m # 1e5eA read from 1e5eA/merged-good-all-a2m # adding 1e5eA to template set # found chain 1e5eA in template set T0339 28 :EAWGNPSSPYSAGRKAKDIINAARESLAKMIGGKP 1e5eA 45 :NRFAGQESGYIYTRLGNPTVSNLEGKIAFLEKTEA T0339 65 :IIFTSGGTESNNLVIHSVV 1e5eA 80 :CVATSSGMGAIAATVLTIL T0339 105 :GAKPHFITSSVEHDSIRLPLEHLVEEQVAAVTFVPVSK 1e5eA 99 :KAGDHLISDECLYGCTHALFEHALTKFGIQVDFINTAI T0339 144 :SG 1e5eA 137 :PG T0339 151 :DILAAVRPTTRLVTIMLANNETGIVMPVPEISQRIKAL 1e5eA 139 :EVKKHMKPNTKIVYFETPANPTLKIIDMERVCKDAHSQ T0339 189 :N 1e5eA 178 :G T0339 200 :ILVHTDAAQALGKQRVDV 1e5eA 179 :VLVIADNTFCSPMITNPV T0339 219 :DLGVDFLTIVGHKFY 1e5eA 197 :DFGVDVVVHSATKYI T0339 234 :GP 1e5eA 213 :GH T0339 236 :RI 1e5eA 216 :DV T0339 238 :GALYIRGLG 1e5eA 219 :AGLICGKAD T0339 261 :ERNFRPGTENTPMIAGLGKAAE 1e5eA 244 :VISPHDAWLITRGLSTLNIRMK T0339 290 :AYEAHMRDVRDY 1e5eA 266 :AESENAMKVAEY T0339 306 :LEAEFGQKRIHLNSQFP 1e5eA 278 :LKSHPAVEKVYYPGFED T0339 324 :TQRLPNTCNFSIRGPRLQGHVVLAQCRV 1e5eA 305 :MRMYGSMITFILKSGFEGAKKLLDNLKL T0339 352 :LMASVG 1e5eA 335 :LAVSLG T0339 358 :AACHSDHGDQPSPVLLSYGVPFDVARNALRLSVGRSTTRA 1e5eA 344 :SLIQHPASMTHAVVPKEEREAAGITDGMIRLSVGIEDADE T0339 402 :VVQDLKQAVAQLE 1e5eA 384 :LIADFKQGLDALL Number of specific fragments extracted= 18 number of extra gaps= 0 total=2663 Number of alignments=121 # 1e5eA read from 1e5eA/merged-good-all-a2m # found chain 1e5eA in template set Warning: unaligning (T0339)D415 because last residue in template chain is (1e5eA)R397 T0339 27 :WEAWGNPSSPYSAGRKAKDIINAARESLAKMIGG 1e5eA 44 :GNRFAGQESGYIYTRLGNPTVSNLEGKIAFLEKT T0339 63 :QDIIFTSGGTESNNLVIHSV 1e5eA 78 :EACVATSSGMGAIAATVLTI T0339 91 :TSKGH 1e5eA 98 :LKAGD T0339 109 :HFITSSVEHDSIRLPLEHLVEEQVAAVTFVPVSK 1e5eA 103 :HLISDECLYGCTHALFEHALTKFGIQVDFINTAI T0339 144 :SG 1e5eA 137 :PG T0339 151 :DILAAVRPTTRLVTIMLANNETGIVMPVPEISQ 1e5eA 139 :EVKKHMKPNTKIVYFETPANPTLKIIDMERVCK T0339 188 :LNQER 1e5eA 172 :DAHSQ T0339 196 :G 1e5eA 177 :E T0339 199 :PILVHTDAAQALGKQRVDV 1e5eA 178 :GVLVIADNTFCSPMITNPV T0339 219 :DLGVDFLTIVGHK 1e5eA 197 :DFGVDVVVHSATK T0339 232 :FYGPR 1e5eA 211 :INGHT T0339 237 :IGALYIR 1e5eA 219 :AGLICGK T0339 244 :GLGEFT 1e5eA 227 :DLLQQI T0339 250 :PLYPMLFG 1e5eA 235 :VGIKDITG T0339 267 :GTENTPMIAGLGKAAELVTQNCEAYEAHMRDVRDYLE 1e5eA 243 :SVISPHDAWLITRGLSTLNIRMKAESENAMKVAEYLK T0339 308 :A 1e5eA 280 :S T0339 312 :QKRI 1e5eA 281 :HPAV T0339 316 :HLNS 1e5eA 286 :KVYY T0339 320 :QFP 1e5eA 294 :DHE T0339 324 :TQRLPNTCNFSIRGPRLQGHVVLAQCRV 1e5eA 305 :MRMYGSMITFILKSGFEGAKKLLDNLKL T0339 352 :LMASVGAACH 1e5eA 335 :LAVSLGGCES T0339 362 :SDHGDQPSPVLLSYGVPFDVARNALRLSVGR 1e5eA 348 :HPASMTHAVVPKEEREAAGITDGMIRLSVGI T0339 394 :TTRAE 1e5eA 379 :EDADE T0339 402 :VVQDLKQAVAQLE 1e5eA 384 :LIADFKQGLDALL Number of specific fragments extracted= 24 number of extra gaps= 0 total=2687 Number of alignments=122 # 1e5eA read from 1e5eA/merged-good-all-a2m # found chain 1e5eA in template set T0339 45 :DIINAARESLAKMIGG 1e5eA 62 :PTVSNLEGKIAFLEKT T0339 64 :DIIFTSGGTESNNLVIHSV 1e5eA 79 :ACVATSSGMGAIAATVLTI T0339 104 :KGAKPHFITSSVEHDSIRLPLEHLVEEQVAAVTFVPVSKVS 1e5eA 98 :LKAGDHLISDECLYGCTHALFEHALTKFGIQVDFINTAIPG T0339 151 :DILAAVRPTTRLVTIMLANNETGIVMPVPEISQRIKA 1e5eA 139 :EVKKHMKPNTKIVYFETPANPTLKIIDMERVCKDAHS T0339 197 :LPPILVHTDAAQALGKQRVDVE 1e5eA 176 :QEGVLVIADNTFCSPMITNPVD T0339 220 :LGVDFLTIVGHKFYGPR 1e5eA 198 :FGVDVVVHSATKYINGH T0339 237 :IGALYIRGLGEFTPLYP 1e5eA 219 :AGLICGKADLLQQIRMV T0339 266 :PGTENTPMIAGLGKAAELVTQNCEAYEAHMRDVRDYL 1e5eA 242 :GSVISPHDAWLITRGLSTLNIRMKAESENAMKVAEYL T0339 307 :EAEFGQKRIHL 1e5eA 279 :KSHPAVEKVYY T0339 319 :SQFPG 1e5eA 290 :PGFED T0339 324 :TQRLPNTCNFSIRG 1e5eA 305 :MRMYGSMITFILKS T0339 340 :LQGHVVLAQCRV 1e5eA 320 :FEGAKKLLDNLK T0339 352 :LMASVGAACHSDHG 1e5eA 344 :SLIQHPASMTHAVV T0339 368 :PSPVLLSYGVP 1e5eA 358 :PKEEREAAGIT T0339 383 :RNALRLSVGRSTTRA 1e5eA 369 :DGMIRLSVGIEDADE T0339 402 :VVQDLKQAVAQLE 1e5eA 384 :LIADFKQGLDALL Number of specific fragments extracted= 16 number of extra gaps= 0 total=2703 Number of alignments=123 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1y4iA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments Warning: Couldn't open file /projects/compbio/experiments/protein-predict/casp7/T0339/1y4iA/merged-good-all-a2m or /projects/compbio/experiments/protein-predict/casp7/T0339/1y4iA/merged-good-all-a2m.gz for input Trying 1y4iA/merged-good-all-a2m Error: Couldn't open file 1y4iA/merged-good-all-a2m or 1y4iA/merged-good-all-a2m.gz for input # Reading fragments from alignment file # Attempting to read fragment alignments from file 1dfoA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1dfoA expands to /projects/compbio/data/pdb/1dfo.pdb.gz 1dfoA:# T0339 read from 1dfoA/merged-good-all-a2m # 1dfoA read from 1dfoA/merged-good-all-a2m # adding 1dfoA to template set # found chain 1dfoA in template set T0339 4 :VYM 1dfoA 30 :IEL T0339 8 :YNATTPLEPEVIQAM 1dfoA 33 :IASENYTSPRVMQAQ T0339 26 :MWEAWGN 1dfoA 51 :LTNKYAE T0339 33 :P 1dfoA 60 :P T0339 34 :SSPYSA 1dfoA 65 :YGGCEY T0339 43 :AKDIINAARESLAKMIGGKP 1dfoA 71 :VDIVEQLAIDRAKELFGADY T0339 65 :IIF 1dfoA 91 :ANV T0339 68 :TSGGTESNNLVIHSVV 1dfoA 95 :PHSGSQANFAVYTALL T0339 105 :GAKPHFITSSVEHDSIR 1dfoA 111 :EPGDTVLGMNLAHGGHL T0339 126 :HLVEE 1dfoA 135 :FSGKL T0339 133 :AAVTFVPVSK 1dfoA 140 :YNIVPYGIDA T0339 144 :SGQTEVDDILAAV 1dfoA 150 :TGHIDYADLEKQA T0339 159 :TTRLV 1dfoA 166 :KPKMI T0339 165 :IMLANNETGI 1dfoA 171 :IGGFSAYSGV T0339 176 :MPVPEISQRIKALN 1dfoA 181 :VDWAKMREIADSIG T0339 200 :ILVHTDAAQ 1dfoA 195 :AYLFVDMAH T0339 209 :ALGKQRVDV 1dfoA 209 :AAGVYPNPV T0339 219 :D 1dfoA 218 :P T0339 221 :GVDFLTIVGHKFY 1dfoA 219 :HAHVVTTTTHKTL T0339 234 :GPRIGALYIRGLG 1dfoA 233 :GPRGGLILAKGGS T0339 250 :P 1dfoA 246 :E T0339 251 :LYPMLFGGGQ 1dfoA 252 :LNSAVFPGGQ T0339 267 :GTENTPMIAGLGKAAELVTQ 1dfoA 262 :GGPLMHVIAGKAVALKEAME T0339 287 :NCEAYEAHMRDVRDYLEERLEAE 1dfoA 283 :EFKTYQQQVAKNAKAMVEVFLER T0339 311 :G 1dfoA 306 :G T0339 315 :IHLNSQ 1dfoA 307 :YKVVSG T0339 323 :GTQ 1dfoA 313 :GTD T0339 328 :PNTCNFSIRGPRLQGHVVLAQCRV 1dfoA 316 :NHLFLVDLVDKNLTGKEADAALGR T0339 352 :LMASVGAACHSD 1dfoA 342 :ITVNKNSVPNDP T0339 377 :VPFDVA 1dfoA 354 :KSPFVT T0339 384 :NALRLSV 1dfoA 360 :SGIRVGT T0339 391 :GRSTTRAEVDLVVQDLKQAVAQL 1dfoA 371 :RRGFKEAEAKELAGWMCDVLDSI Number of specific fragments extracted= 32 number of extra gaps= 0 total=2735 Number of alignments=124 # 1dfoA read from 1dfoA/merged-good-all-a2m # found chain 1dfoA in template set T0339 5 :YM 1dfoA 31 :EL T0339 8 :YNATTPLEPEVIQA 1dfoA 33 :IASENYTSPRVMQA T0339 31 :GNPSSP 1dfoA 58 :GYPGKR T0339 37 :YSAGRKAKDIINAARESLAKMIGG 1dfoA 65 :YGGCEYVDIVEQLAIDRAKELFGA T0339 63 :QDIIFTS 1dfoA 89 :DYANVQP T0339 70 :GGTESNNLVIHSV 1dfoA 97 :SGSQANFAVYTAL T0339 91 :TSKGH 1dfoA 110 :LEPGD T0339 109 :HFITSSVEHDSIR 1dfoA 115 :TVLGMNLAHGGHL T0339 122 :LPLEHL 1dfoA 135 :FSGKLY T0339 134 :AVTFVPVSK 1dfoA 141 :NIVPYGIDA T0339 144 :SGQTEVDDILAAVR 1dfoA 150 :TGHIDYADLEKQAK T0339 158 :PTTRLVT 1dfoA 165 :HKPKMII T0339 167 :LANNETGIVMPVPEISQ 1dfoA 172 :GGFSAYSGVVDWAKMRE T0339 188 :LNQER 1dfoA 189 :IADSI T0339 199 :PILVHTDAAQ 1dfoA 194 :GAYLFVDMAH T0339 209 :ALGKQRVDVED 1dfoA 209 :AAGVYPNPVPH T0339 222 :VDFLTIVGHK 1dfoA 220 :AHVVTTTTHK T0339 232 :FYGPRIGALYIR 1dfoA 231 :LAGPRGGLILAK T0339 245 :LGEFT 1dfoA 248 :LYKKL T0339 251 :LYPMLFGG 1dfoA 253 :NSAVFPGG T0339 266 :PGTENTPMIAGLGKAAELVTQ 1dfoA 261 :QGGPLMHVIAGKAVALKEAME T0339 287 :NCEAYEAHMRDVRDYLEERLEAE 1dfoA 283 :EFKTYQQQVAKNAKAMVEVFLER T0339 314 :RIHLNS 1dfoA 306 :GYKVVS T0339 322 :PGTQ 1dfoA 312 :GGTD T0339 328 :PNTCNFSIRGPRLQGHVVLAQCRV 1dfoA 316 :NHLFLVDLVDKNLTGKEADAALGR T0339 352 :LMASVGAACHSDHGDQP 1dfoA 342 :ITVNKNSVPNDPKSPFV T0339 383 :RNALRLSV 1dfoA 359 :TSGIRVGT T0339 391 :GRSTTRAEVDLVVQDLKQAVAQLE 1dfoA 371 :RRGFKEAEAKELAGWMCDVLDSIN Number of specific fragments extracted= 28 number of extra gaps= 0 total=2763 Number of alignments=125 # 1dfoA read from 1dfoA/merged-good-all-a2m # found chain 1dfoA in template set T0339 9 :NATTPLEPEVIQAMTKAMWEAW 1dfoA 34 :ASENYTSPRVMQAQGSQLTNKY T0339 31 :GNPS 1dfoA 58 :GYPG T0339 35 :SPYSAGRKAKDIINAARESLAKMIGG 1dfoA 63 :RYYGGCEYVDIVEQLAIDRAKELFGA T0339 65 :IIFTSGGTESNNLVIHSV 1dfoA 92 :NVQPHSGSQANFAVYTAL T0339 104 :KGAKPHFITSSVEHDSIRLP 1dfoA 110 :LEPGDTVLGMNLAHGGHLTH T0339 124 :LEHL 1dfoA 136 :SGKL T0339 133 :AAVTFVPVS 1dfoA 140 :YNIVPYGID T0339 143 :VSGQTEVDDILAAV 1dfoA 149 :ATGHIDYADLEKQA T0339 163 :VTIMLANNETGI 1dfoA 169 :MIIGGFSAYSGV T0339 176 :MPVPEISQRIKA 1dfoA 181 :VDWAKMREIADS T0339 198 :PPILVHTDAAQ 1dfoA 193 :IGAYLFVDMAH T0339 209 :ALGKQRVDVE 1dfoA 209 :AAGVYPNPVP T0339 221 :GVDFLTIVGHKFYGPR 1dfoA 219 :HAHVVTTTTHKTLAGP T0339 237 :IGALYIRG 1dfoA 236 :GGLILAKG T0339 245 :LGEFTPLYPMLFGG 1dfoA 247 :ELYKKLNSAVFPGG T0339 266 :PGTENTPMIAGLGKAAELVT 1dfoA 261 :QGGPLMHVIAGKAVALKEAM T0339 286 :QNCEAYEAHMRDVRDYLEERLEAEFGQKRIH 1dfoA 282 :PEFKTYQQQVAKNAKAMVEVFLERGYKVVSG T0339 323 :GTQRLPNTCNFSIRGPRLQGHVVLAQCRVLMASVGAACHSDHG 1dfoA 313 :GTDNHLFLVDLVDKNLTGKEADAALGRANITVNKNSVPNDPKS T0339 380 :DVARNALRLSVG 1dfoA 356 :PFVTSGIRVGTP T0339 392 :RSTTRAEVDLVVQDLKQA 1dfoA 372 :RGFKEAEAKELAGWMCDV T0339 410 :VAQLED 1dfoA 399 :IERIKG Number of specific fragments extracted= 21 number of extra gaps= 0 total=2784 Number of alignments=126 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1v2dA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1v2dA expands to /projects/compbio/data/pdb/1v2d.pdb.gz 1v2dA:# T0339 read from 1v2dA/merged-good-all-a2m # 1v2dA read from 1v2dA/merged-good-all-a2m # adding 1v2dA to template set # found chain 1v2dA in template set T0339 4 :VYMDYNATT 1v2dA 28 :VNLGQGFPS T0339 13 :PLEPEVIQAMTKAMWEAWGN 1v2dA 38 :PPPPFLLEAVRRALGRQDQY T0339 33 :PSSP 1v2dA 60 :PAGL T0339 48 :NAARESLAKMIGGKPQDIIFTSGGTESNNLVIHSVV 1v2dA 64 :PALREALAEEFAVEPESVVVTSGATEALYVLLQSLV T0339 105 :GAKPHFITSSVEHDSIRL 1v2dA 100 :GPGDEVVVLEPFFDVYLP T0339 127 :LVEEQVAAVTFVPVS 1v2dA 118 :DAFLAGAKARLVRLD T0339 142 :KVSGQTEVDDILAAVRPTTRLVTIMLANNETGIVMP 1v2dA 135 :PEGFRLDLSALEKALTPRTRALLLNTPMNPTGLVFG T0339 178 :VPEISQRIKALN 1v2dA 174 :LEAIARLARAHD T0339 200 :ILVHTDAAQ 1v2dA 186 :LFLISDEVY T0339 209 :ALGKQRVDVEDL 1v2dA 198 :YYGERPRRLREF T0339 223 :DFLTIVGHKFY 1v2dA 214 :TFTVGSAGKRL T0339 234 :GP 1v2dA 226 :AT T0339 236 :RIGALYIRG 1v2dA 230 :RVGWIVGPK T0339 246 :GEFTPLYPMLFGGGQ 1v2dA 239 :EFMPRLAGMRQWTSF T0339 268 :TENTPMIAGLGKAAELVTQ 1v2dA 254 :SAPTPLQAGVAEALKLARR T0339 287 :NCEAYEAHMRDVRDYLEERLEAE 1v2dA 275 :FYEALREGYRRRRDLLAGGLRAM T0339 311 :G 1v2dA 298 :G T0339 315 :IHLNSQ 1v2dA 299 :LRVYVP T0339 325 :QRLP 1v2dA 305 :EGTY T0339 330 :TCNFSIRG 1v2dA 309 :FLMAELPG T0339 340 :LQGHVVLAQ 1v2dA 317 :WDAFRLVEE T0339 354 :ASVG 1v2dA 326 :ARVA T0339 358 :AACHSDH 1v2dA 334 :SAFYLED T0339 381 :VARNALRLSVGR 1v2dA 341 :PPKDLFRFAFCK T0339 395 :TRAEVDLVVQDLKQA 1v2dA 353 :TEEELHLALERLGRV Number of specific fragments extracted= 25 number of extra gaps= 0 total=2809 Number of alignments=127 # 1v2dA read from 1v2dA/merged-good-all-a2m # found chain 1v2dA in template set T0339 2 :RKVYMDYNATT 1v2dA 26 :GAVNLGQGFPS T0339 13 :PLEPEVIQAMTKAMWE 1v2dA 38 :PPPPFLLEAVRRALGR T0339 32 :NPSSP 1v2dA 54 :QDQYA T0339 37 :YSAGR 1v2dA 60 :PAGLP T0339 49 :AARESLAKMIGGKPQDIIFTSGGTESNNLVIHSV 1v2dA 65 :ALREALAEEFAVEPESVVVTSGATEALYVLLQSL T0339 91 :TSKGH 1v2dA 99 :VGPGD T0339 109 :HFITSSVEHDSIRLPLEHL 1v2dA 104 :EVVVLEPFFDVYLPDAFLA T0339 132 :VAAVTFVPV 1v2dA 123 :GAKARLVRL T0339 141 :SKVSGQTEVDDILAAVRPTTRLVTIMLANNETGIVMPVPEISQ 1v2dA 134 :TPEGFRLDLSALEKALTPRTRALLLNTPMNPTGLVFGERELEA T0339 185 :IKALNQER 1v2dA 177 :IARLARAH T0339 199 :PILVHTDAAQALGKQR 1v2dA 185 :DLFLISDEVYDELYYG T0339 216 :D 1v2dA 204 :R T0339 217 :VEDL 1v2dA 206 :LREF T0339 221 :G 1v2dA 213 :R T0339 223 :DFLTIVGHK 1v2dA 214 :TFTVGSAGK T0339 232 :FY 1v2dA 224 :LE T0339 234 :GPRIGALYIR 1v2dA 228 :GYRVGWIVGP T0339 244 :GLGEFTPLYPMLFG 1v2dA 239 :EFMPRLAGMRQWTS T0339 267 :GTENTPMIAGLGKAAELVTQ 1v2dA 253 :FSAPTPLQAGVAEALKLARR T0339 287 :NCEAYEAHMRDVRDYLEERLEAE 1v2dA 275 :FYEALREGYRRRRDLLAGGLRAM T0339 314 :RIHLNSQFP 1v2dA 298 :GLRVYVPEG T0339 328 :PNTCNFSIRG 1v2dA 307 :TYFLMAELPG T0339 340 :LQGHVVLA 1v2dA 317 :WDAFRLVE T0339 351 :V 1v2dA 325 :E T0339 352 :LMASVGAACHSDHGD 1v2dA 328 :VALIPASAFYLEDPP T0339 383 :RNALRLSVGR 1v2dA 343 :KDLFRFAFCK T0339 395 :TRAEVDLVVQDLKQA 1v2dA 353 :TEEELHLALERLGRV Number of specific fragments extracted= 27 number of extra gaps= 0 total=2836 Number of alignments=128 # 1v2dA read from 1v2dA/merged-good-all-a2m # found chain 1v2dA in template set T0339 4 :VYMDYNATT 1v2dA 28 :VNLGQGFPS T0339 13 :PLEPEVIQAMTKAMWEAWGNPS 1v2dA 38 :PPPPFLLEAVRRALGRQDQYAP T0339 35 :SPYS 1v2dA 61 :AGLP T0339 49 :AARESLAKMIGGKPQDIIFTSGGTESNNLVIHSV 1v2dA 65 :ALREALAEEFAVEPESVVVTSGATEALYVLLQSL T0339 104 :KGAKPHFITSSVEHDSIRLPLEHL 1v2dA 99 :VGPGDEVVVLEPFFDVYLPDAFLA T0339 132 :VAAVTFVPVS 1v2dA 123 :GAKARLVRLD T0339 142 :KVSGQTEVDDILAAVRPTTRLVTIMLANNETGIVMP 1v2dA 135 :PEGFRLDLSALEKALTPRTRALLLNTPMNPTGLVFG T0339 178 :VPEISQRIKA 1v2dA 174 :LEAIARLARA T0339 198 :PPILVHTDAAQALGKQRVD 1v2dA 184 :HDLFLISDEVYDELYYGER T0339 220 :LGVDFLTIVGHKFYGPR 1v2dA 211 :PERTFTVGSAGKRLEAT T0339 237 :IGALYIRGLGEFTPLYP 1v2dA 231 :VGWIVGPKEFMPRLAGM T0339 262 :RNFRPGTENTPMIAGLGKAAELVT 1v2dA 248 :RQWTSFSAPTPLQAGVAEALKLAR T0339 286 :QNCEAYEAHMRDVRDYLEERLEAEFGQKRIH 1v2dA 274 :GFYEALREGYRRRRDLLAGGLRAMGLRVYVP T0339 326 :RLPNTCNFSIRGPRLQGH 1v2dA 305 :EGTYFLMAELPGWDAFRL T0339 347 :AQCRVLMASVGAACHSDHG 1v2dA 323 :VEEARVALIPASAFYLEDP T0339 382 :ARNALRLSVG 1v2dA 342 :PKDLFRFAFC T0339 394 :TTRAEVDLVVQDLKQA 1v2dA 352 :KTEEELHLALERLGRV Number of specific fragments extracted= 17 number of extra gaps= 0 total=2853 Number of alignments=129 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1iugA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1iugA expands to /projects/compbio/data/pdb/1iug.pdb.gz 1iugA:Bad short name: N1 for alphabet: pdb_atoms Bad short name: C2 for alphabet: pdb_atoms Bad short name: C2' for alphabet: pdb_atoms Bad short name: C3 for alphabet: pdb_atoms Bad short name: O3 for alphabet: pdb_atoms Bad short name: C4 for alphabet: pdb_atoms Bad short name: C4' for alphabet: pdb_atoms Bad short name: C5 for alphabet: pdb_atoms Bad short name: C6 for alphabet: pdb_atoms Bad short name: C5' for alphabet: pdb_atoms Bad short name: OP4 for alphabet: pdb_atoms Bad short name: P for alphabet: pdb_atoms Bad short name: OP1 for alphabet: pdb_atoms Bad short name: OP2 for alphabet: pdb_atoms Bad short name: OP3 for alphabet: pdb_atoms # T0339 read from 1iugA/merged-good-all-a2m # 1iugA read from 1iugA/merged-good-all-a2m # adding 1iugA to template set # found chain 1iugA in template set Warning: unaligning (T0339)H230 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1iugA)G186 Warning: unaligning (T0339)F232 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1iugA)G186 T0339 5 :YMDYNATTPLEPEVIQAM 1iugA 3 :WLLTPGPVRLHPKALEAL T0339 24 :K 1iugA 21 :A T0339 33 :PSSPYSAGRKAKDIINAARESLAKMIGGKP 1iugA 22 :RPQLHHRTEAAREVFLKARGLLREAFRTEG T0339 64 :DIIFTSG 1iugA 52 :EVLILTG T0339 71 :GTESNNLVIHSVV 1iugA 60 :GTLAMEALVKNLF T0339 105 :GAKPHFITSS 1iugA 73 :APGERVLVPV T0339 117 :HDSIRLPLEHLVEEQVAAVTFVPVSK 1iugA 83 :YGKFSERFYEIALEAGLVVERLDYPY T0339 144 :SGQTEVD 1iugA 109 :GDTPRPE T0339 155 :AV 1iugA 116 :DV T0339 157 :RPTTRLVTIMLANNETGIVMPVPEISQRIKALN 1iugA 119 :KEGYAGLLLVHSETSTGALADLPALARAFKEKN T0339 198 :PPILVHTDAAQALGKQRVDVEDLGVDFLTIVG 1iugA 152 :PEGLVGADMVTSLLVGEVALEAMGVDAAASGS T0339 233 :Y 1iugA 187 :L T0339 234 :GP 1iugA 189 :CP T0339 236 :RIGALYIRG 1iugA 192 :GLGFVALSP T0339 246 :GEFTPLYPMLFGGGQ 1iugA 201 :RALERLKPRGYYLDL T0339 261 :ERNFRP 1iugA 224 :EGESAW T0339 268 :TENTPMIAGLGKAAELVTQNCEAYEAHMRDVRDYLEERLEAE 1iugA 230 :TPAINLVLAVAAVLEEVLPRLEEHLALKAWQNALLYGVGEEG T0339 311 :G 1iugA 272 :G T0339 315 :IHLNSQ 1iugA 273 :LRPVPK T0339 325 :QRLPNTCNFSIRGP 1iugA 279 :RFSPAVAAFYLPEG T0339 340 :LQGHVVLAQCRVLMASVG 1iugA 293 :VPYARVKEAFAQRGAVIA T0339 377 :VPFDVARNALRLSVGRSTTRAEVDLVVQDLKQAVAQL 1iugA 312 :GQGPLKGKVFRLSLMGAYDRYEALGVAGMFREVLEEI Number of specific fragments extracted= 22 number of extra gaps= 0 total=2875 Number of alignments=130 # 1iugA read from 1iugA/merged-good-all-a2m # found chain 1iugA in template set Warning: unaligning (T0339)H230 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1iugA)G186 Warning: unaligning (T0339)E414 because last residue in template chain is (1iugA)L349 T0339 5 :YMDYNATTPLEPEVIQAMT 1iugA 3 :WLLTPGPVRLHPKALEALA T0339 33 :PSSPYSAGRKAKDIINAARESLAKMIGG 1iugA 22 :RPQLHHRTEAAREVFLKARGLLREAFRT T0339 63 :Q 1iugA 50 :E T0339 64 :DIIFTSG 1iugA 52 :EVLILTG T0339 71 :GTESNNLVIHSV 1iugA 60 :GTLAMEALVKNL T0339 91 :TSKGH 1iugA 72 :FAPGE T0339 109 :HFITSSVEHDS 1iugA 77 :RVLVPVYGKFS T0339 120 :IRLPLEHL 1iugA 90 :FYEIALEA T0339 132 :VAAVTFVPVSK 1iugA 98 :GLVVERLDYPY T0339 144 :SGQTEVDD 1iugA 109 :GDTPRPED T0339 156 :VR 1iugA 117 :VA T0339 158 :PTTRLVTIMLANNETGIVMPVPEISQR 1iugA 120 :EGYAGLLLVHSETSTGALADLPALARA T0339 188 :LNQER 1iugA 147 :FKEKN T0339 198 :PPILVHTDAAQALGKQRVDVEDLGVDFLTIVG 1iugA 152 :PEGLVGADMVTSLLVGEVALEAMGVDAAASGS T0339 232 :FY 1iugA 187 :LM T0339 234 :GPRIGALYIR 1iugA 190 :PPGLGFVALS T0339 244 :GLGEFTPLYPMLFG 1iugA 201 :RALERLKPRGYYLD T0339 260 :QERNFRPGTENTPMIAGLGKAAELVTQNCEAYEAHMRDVRDYLEERLEAE 1iugA 222 :QKEGESAWTPAINLVLAVAAVLEEVLPRLEEHLALKAWQNALLYGVGEEG T0339 314 :RIHLNSQ 1iugA 272 :GLRPVPK T0339 325 :QRLPNTCNFSIRGP 1iugA 279 :RFSPAVAAFYLPEG T0339 340 :LQGHVVLAQCRVLMASVGAACHSDH 1iugA 293 :VPYARVKEAFAQRGAVIAGGQGPLK T0339 383 :RNALRLSVGRSTTRAEVDLVVQDLKQAVAQL 1iugA 318 :GKVFRLSLMGAYDRYEALGVAGMFREVLEEI Number of specific fragments extracted= 22 number of extra gaps= 0 total=2897 Number of alignments=131 # 1iugA read from 1iugA/merged-good-all-a2m # found chain 1iugA in template set Warning: unaligning (T0339)H230 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1iugA)G186 Warning: unaligning (T0339)F232 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1iugA)G186 T0339 5 :YMDYNATTPLEPEVIQAMTK 1iugA 3 :WLLTPGPVRLHPKALEALAR T0339 34 :SSPYSAGRKAKDIINAARESLAKMIGGKP 1iugA 23 :PQLHHRTEAAREVFLKARGLLREAFRTEG T0339 65 :IIFTSGGTESNNLVIHSV 1iugA 54 :LILTGSGTLAMEALVKNL T0339 104 :KGAKPHFITSSVE 1iugA 72 :FAPGERVLVPVYG T0339 119 :SIRLPLEHLVEEQVAAVTFVPVS 1iugA 85 :KFSERFYEIALEAGLVVERLDYP T0339 143 :VSGQTEVDD 1iugA 108 :YGDTPRPED T0339 156 :V 1iugA 117 :V T0339 157 :RPTTRLVTIMLANNETGIVMPVPEISQRIKA 1iugA 119 :KEGYAGLLLVHSETSTGALADLPALARAFKE T0339 196 :GLPPILVHTDAAQALGKQRVDVEDLGVDFLTIVG 1iugA 150 :KNPEGLVGADMVTSLLVGEVALEAMGVDAAASGS T0339 233 :YGPR 1iugA 187 :LMCP T0339 237 :IGALYIRGLGEFTPLY 1iugA 193 :LGFVALSPRALERLKP T0339 256 :FGGGQ 1iugA 209 :RGYYL T0339 261 :ERNFRPGTENTPMIAGLGKAAELVTQNCEAYEAHMRDVRDYLEERLEA 1iugA 223 :KEGESAWTPAINLVLAVAAVLEEVLPRLEEHLALKAWQNALLYGVGEE T0339 310 :FGQKRIH 1iugA 271 :GGLRPVP T0339 324 :TQRLPNTCNFSIRG 1iugA 278 :KRFSPAVAAFYLPE T0339 338 :PRLQGHVVLAQCRVLMASVG 1iugA 293 :VPYARVKEAFAQRGAVIAGG T0339 378 :PFDVARNALRLSVGRSTTRAEVDLVVQDLKQAVAQL 1iugA 313 :QGPLKGKVFRLSLMGAYDRYEALGVAGMFREVLEEI Number of specific fragments extracted= 17 number of extra gaps= 0 total=2914 Number of alignments=132 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1ibjA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1ibjA expands to /projects/compbio/data/pdb/1ibj.pdb.gz 1ibjA:# T0339 read from 1ibjA/merged-good-all-a2m # 1ibjA read from 1ibjA/merged-good-all-a2m # adding 1ibjA to template set # found chain 1ibjA in template set Warning: unaligning (T0339)E309 because of BadResidue code BAD_PEPTIDE in next template residue (1ibjA)P350 Warning: unaligning (T0339)F310 because of BadResidue code BAD_PEPTIDE at template residue (1ibjA)P350 T0339 34 :SSPYSAGRKAKDIINAARESLAKMIGG 1ibjA 122 :NGPYDYTRSGNPTRDALESLLAKLDKA T0339 63 :QDIIFTSGGTESNNLVIHSV 1ibjA 149 :DRAFCFTSGMAALSAVTHLI T0339 105 :GAKPHFITSSVEHDSIRLPLEHLVEEQVAAVTFVPVSK 1ibjA 169 :KNGEEIVAGDDVYGGSDRLLSQVVPRSGVVVKRVNTTK T0339 149 :VDDILAAVRPTTRLVTIMLANNETGIVMPVPEISQRIKALN 1ibjA 207 :LDEVAAAIGPQTKLVWLESPTNPRQQISDIRKISEMAHAQG T0339 200 :ILVHTDAAQALGKQRVDV 1ibjA 248 :ALVLVDNSIMSPVLSRPL T0339 219 :DLGVDFLTIVGHKFY 1ibjA 266 :ELGADIVMHSATKFI T0339 234 :GP 1ibjA 282 :GH T0339 236 :R 1ibjA 285 :D T0339 237 :IGALYIRGLGEFTPLYPMLFGGGQERNFRPGTENTPMIAGLGKAAELVTQ 1ibjA 288 :AGVLAVKGEKLAKEVYFLQNSEGSGLAPFDCWLCLRGIKTMALRIEKQQE T0339 294 :HMRDVRD 1ibjA 338 :NARKIAM T0339 305 :RLEA 1ibjA 345 :YLSS T0339 311 :GQKRIHLNSQFP 1ibjA 351 :RVKKVYYAGLPD T0339 323 :GTQRLPNTCNFSIRG 1ibjA 372 :QAKGAGSVFSFITGS T0339 342 :GHVVLAQCRV 1ibjA 387 :VALSKHLVET T0339 352 :LMASVG 1ibjA 402 :IAVSFG T0339 358 :AACHSDHGDQPSPVLLSYGVPFDVARNALRLSVGR 1ibjA 411 :SLISMPCFMSHASIPAEVREARGLTEDLVRISAGI T0339 397 :AEVDLVVQDLKQAVA 1ibjA 446 :EDVDDLISDLDIAFK Number of specific fragments extracted= 17 number of extra gaps= 1 total=2931 Number of alignments=133 # 1ibjA read from 1ibjA/merged-good-all-a2m # found chain 1ibjA in template set Warning: unaligning (T0339)Q312 because of BadResidue code BAD_PEPTIDE in next template residue (1ibjA)P350 Warning: unaligning (T0339)K313 because of BadResidue code BAD_PEPTIDE at template residue (1ibjA)P350 T0339 31 :GNPSSP 1ibjA 118 :SAIENG T0339 37 :YSAGRKAKDIINAARESLAKMIGG 1ibjA 125 :YDYTRSGNPTRDALESLLAKLDKA T0339 63 :QDIIFTSGGTESNNLVIHS 1ibjA 149 :DRAFCFTSGMAALSAVTHL T0339 91 :TSKGH 1ibjA 168 :IKNGE T0339 109 :HFITSSVEHDSIRLPLEHLVEEQVAAVTFVPVSK 1ibjA 173 :EIVAGDDVYGGSDRLLSQVVPRSGVVVKRVNTTK T0339 149 :VDDILAAVRPTTRLVTIMLANNETGIVMPVPEISQ 1ibjA 207 :LDEVAAAIGPQTKLVWLESPTNPRQQISDIRKISE T0339 188 :LNQER 1ibjA 242 :MAHAQ T0339 199 :PILVHTDAAQALGKQRVDV 1ibjA 247 :GALVLVDNSIMSPVLSRPL T0339 219 :DLGVDFLTIVGHK 1ibjA 266 :ELGADIVMHSATK T0339 232 :FYGPR 1ibjA 280 :IAGHS T0339 237 :IGALYIR 1ibjA 288 :AGVLAVK T0339 244 :G 1ibjA 296 :E T0339 245 :LGEFTPLYPMLFG 1ibjA 298 :LAKEVYFLQNSEG T0339 267 :GTENTPMIAGLGKAAELVTQNCEAYEAHMRDVRDYLE 1ibjA 311 :SGLAPFDCWLCLRGIKTMALRIEKQQENARKIAMYLS T0339 308 :A 1ibjA 348 :S T0339 314 :RIHLNS 1ibjA 351 :RVKKVY T0339 323 :GTQRLPNTCNFSIRG 1ibjA 372 :QAKGAGSVFSFITGS T0339 340 :LQ 1ibjA 387 :VA T0339 342 :GHVVLAQCRV 1ibjA 390 :SKHLVETTKY T0339 352 :LMASVGAACH 1ibjA 402 :IAVSFGSVKS T0339 362 :SDHGDQPSPVLLSYGVPFDVARNALRLSVGRS 1ibjA 415 :MPCFMSHASIPAEVREARGLTEDLVRISAGIE T0339 398 :EVDLVVQDLKQAVA 1ibjA 447 :DVDDLISDLDIAFK Number of specific fragments extracted= 22 number of extra gaps= 1 total=2953 Number of alignments=134 # 1ibjA read from 1ibjA/merged-good-all-a2m # found chain 1ibjA in template set Warning: unaligning (T0339)E309 because of BadResidue code BAD_PEPTIDE in next template residue (1ibjA)P350 Warning: unaligning (T0339)F310 because of BadResidue code BAD_PEPTIDE at template residue (1ibjA)P350 T0339 45 :DIINAARESLAKMIGG 1ibjA 133 :PTRDALESLLAKLDKA T0339 63 :QDIIFTSGGTESNNLVIHSV 1ibjA 149 :DRAFCFTSGMAALSAVTHLI T0339 105 :GAKPHFITSSVEHDSIRLPLEHLVEEQVAAVTFVPVS 1ibjA 169 :KNGEEIVAGDDVYGGSDRLLSQVVPRSGVVVKRVNTT T0339 148 :EVDDILAAVRPTTRLVTIMLANNETGIVMPVPEISQRIKA 1ibjA 206 :KLDEVAAAIGPQTKLVWLESPTNPRQQISDIRKISEMAHA T0339 198 :PPILVHTDAAQALGKQRVDV 1ibjA 246 :QGALVLVDNSIMSPVLSRPL T0339 219 :DLGVDFLTIVGHKFYGPR 1ibjA 266 :ELGADIVMHSATKFIAGH T0339 237 :IGALYIRGLGEFTP 1ibjA 288 :AGVLAVKGEKLAKE T0339 262 :RNFRPGTENTP 1ibjA 307 :NSEGSGLAPFD T0339 277 :LGKAAELVT 1ibjA 318 :CWLCLRGIK T0339 286 :QNCEAYEA 1ibjA 330 :LRIEKQQE T0339 298 :VRDYLEERLEA 1ibjA 338 :NARKIAMYLSS T0339 311 :GQKRIHL 1ibjA 351 :RVKKVYY T0339 318 :NSQFP 1ibjA 360 :LPDHP T0339 323 :GTQRLPNTCNFSIR 1ibjA 372 :QAKGAGSVFSFITG T0339 339 :RLQGHVVLAQ 1ibjA 386 :SVALSKHLVE T0339 350 :RVLMASVGAACHSDHG 1ibjA 409 :VKSLISMPCFMSHASI T0339 378 :PFDVAR 1ibjA 425 :PAEVRE T0339 384 :NALRLSVGRSTTR 1ibjA 437 :DLVRISAGIEDVD T0339 401 :LVVQDLKQAVA 1ibjA 450 :DLISDLDIAFK Number of specific fragments extracted= 19 number of extra gaps= 1 total=2972 Number of alignments=135 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1m32A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1m32A expands to /projects/compbio/data/pdb/1m32.pdb.gz 1m32A:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 318, because occupancy 0.500 <= existing 0.500 in 1m32A Skipped atom 320, because occupancy 0.500 <= existing 0.500 in 1m32A Skipped atom 322, because occupancy 0.500 <= existing 0.500 in 1m32A Skipped atom 324, because occupancy 0.500 <= existing 0.500 in 1m32A Skipped atom 326, because occupancy 0.500 <= existing 0.500 in 1m32A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # T0339 read from 1m32A/merged-good-all-a2m # 1m32A read from 1m32A/merged-good-all-a2m # adding 1m32A to template set # found chain 1m32A in template set Warning: unaligning (T0339)K3 because first residue in template chain is (1m32A)Y5 T0339 4 :VYM 1m32A 6 :LLL T0339 8 :YNATTPLEPEVIQA 1m32A 9 :TPGPLTTSRTVKEA T0339 31 :GNPSSPYSAGRKAKDIINAARESLAKMI 1m32A 23 :MLFDSCTWDDDYNIGVVEQIRQQLTALA T0339 60 :GKPQ 1m32A 51 :TASE T0339 65 :IIFTSGGTESNNLVIHSVV 1m32A 59 :VLLQGSGSYAVEAVLGSAL T0339 105 :GAKPHFITSSV 1m32A 78 :GPQDKVLIVSN T0339 118 :DSIRLPLEHLVEEQVAAVTFVPVSK 1m32A 89 :GAYGARMVEMAGLMGIAHHAYDCGE T0339 144 :SGQTEVDDILAAV 1m32A 114 :VARPDVQAIDAIL T0339 157 :RPTTRLVTIMLANNETGIVMPVPEISQRIKALN 1m32A 129 :DPTISHIAMVHSETTTGMLNPIDEVGALAHRYG T0339 200 :ILVHTDAAQALGKQRVDVEDLGVDFLTIVGHKFY 1m32A 162 :KTYIVDAMSSFGGIPMDIAALHIDYLISSANKCI T0339 234 :GP 1m32A 197 :GV T0339 236 :RIGALYIRG 1m32A 200 :GFAFVIARE T0339 246 :GEFTPLYPMLFGGGQ 1m32A 209 :QKLAACKGHSRSLSL T0339 261 :ERNFRP 1m32A 236 :HGKWRF T0339 268 :TENTPMIAGLGKAAELVTQ 1m32A 242 :TSPTHTVLAFAQALKELAK T0339 287 :NCEAYEAHMRDVRDYLEERLEAE 1m32A 263 :GVAARHQRYQQNQRSLVAGMRAL T0339 311 :G 1m32A 286 :G T0339 315 :IHLNSQ 1m32A 287 :FNTLLD T0339 323 :GTQRLPNTCNFSI 1m32A 293 :DELHSPIITAFYS T0339 336 :RGPRLQGHVVLAQCRV 1m32A 307 :EDPQYRFSEFYRRLKE T0339 352 :LMASVG 1m32A 325 :FVIYPG T0339 364 :H 1m32A 331 :K T0339 377 :VPF 1m32A 332 :VSQ T0339 383 :RNALRLSVGRSTTRAEVDLVVQDLKQA 1m32A 335 :SDCFRIGNIGEVYAADITALLTAIRTA Number of specific fragments extracted= 24 number of extra gaps= 0 total=2996 Number of alignments=136 # 1m32A read from 1m32A/merged-good-all-a2m # found chain 1m32A in template set Warning: unaligning (T0339)V4 because first residue in template chain is (1m32A)Y5 T0339 5 :YMDYNATTPLEPEVIQA 1m32A 6 :LLLTPGPLTTSRTVKEA T0339 30 :WGNPSSPYS 1m32A 23 :MLFDSCTWD T0339 40 :GRKAKDIINAARESLAKMI 1m32A 32 :DDYNIGVVEQIRQQLTALA T0339 60 :GKPQ 1m32A 51 :TASE T0339 64 :DIIFT 1m32A 57 :TSVLL T0339 69 :SGGTESNNLVIHSV 1m32A 63 :GSGSYAVEAVLGSA T0339 91 :TSKGH 1m32A 77 :LGPQD T0339 109 :HFITSSVEHDS 1m32A 82 :KVLIVSNGAYG T0339 120 :IRLPLEHL 1m32A 95 :MVEMAGLM T0339 132 :VAAVTFVPVSK 1m32A 103 :GIAHHAYDCGE T0339 144 :SGQTEVDDILAAVR 1m32A 114 :VARPDVQAIDAILN T0339 158 :PTTRLVTIMLANNETGIVMPVPEISQ 1m32A 130 :PTISHIAMVHSETTTGMLNPIDEVGA T0339 188 :LNQER 1m32A 156 :LAHRY T0339 199 :PILVHTDAAQALGKQRVDVEDLGVDFLTIVGHK 1m32A 161 :GKTYIVDAMSSFGGIPMDIAALHIDYLISSANK T0339 232 :FY 1m32A 195 :IQ T0339 234 :GPRIGALYIR 1m32A 198 :VPGFAFVIAR T0339 244 :GLGEFTPLYPMLFGGG 1m32A 209 :QKLAACKGHSRSLSLD T0339 260 :QERNFR 1m32A 235 :NHGKWR T0339 267 :GTENTPMIAGLGKAAELVTQ 1m32A 241 :FTSPTHTVLAFAQALKELAK T0339 287 :NCEAYEAHMRDVRDYLEERLEAE 1m32A 263 :GVAARHQRYQQNQRSLVAGMRAL T0339 314 :RIHLNS 1m32A 286 :GFNTLL T0339 322 :PGTQRLPNTCNFSIR 1m32A 292 :DDELHSPIITAFYSP T0339 337 :GPRLQGHVVLAQCRV 1m32A 308 :DPQYRFSEFYRRLKE T0339 352 :LMASVGAACH 1m32A 325 :FVIYPGKVSQ T0339 383 :RNALRLSVGRSTTRAEVDLVVQDLKQA 1m32A 335 :SDCFRIGNIGEVYAADITALLTAIRTA Number of specific fragments extracted= 25 number of extra gaps= 0 total=3021 Number of alignments=137 # 1m32A read from 1m32A/merged-good-all-a2m # found chain 1m32A in template set T0339 8 :YNATTPLEPEVIQAM 1m32A 9 :TPGPLTTSRTVKEAM T0339 32 :NPSSPYSAGRKAKDIINAARESLAKMI 1m32A 24 :LFDSCTWDDDYNIGVVEQIRQQLTALA T0339 60 :GKPQD 1m32A 51 :TASEG T0339 65 :IIFTSGGTESNNLVIHSV 1m32A 59 :VLLQGSGSYAVEAVLGSA T0339 104 :KGAKPHFITSSVE 1m32A 77 :LGPQDKVLIVSNG T0339 119 :SIRLPLEHLVEEQVAAVTFVPVS 1m32A 90 :AYGARMVEMAGLMGIAHHAYDCG T0339 143 :VSGQTEVDDILAAV 1m32A 113 :EVARPDVQAIDAIL T0339 157 :RPTTRLVTIMLANNETGIVMPVPEISQRIKA 1m32A 129 :DPTISHIAMVHSETTTGMLNPIDEVGALAHR T0339 198 :PPILVHTDAAQALGKQRVDVEDLGVDFLTIVGHKFYGPR 1m32A 160 :YGKTYIVDAMSSFGGIPMDIAALHIDYLISSANKCIQGV T0339 237 :IGALYIRGLGEFTPLYPMLFGGGQ 1m32A 201 :FAFVIAREQKLAACKGHSRSLSLD T0339 261 :ERNFRPGTENTPMIAGLGKAAELVT 1m32A 235 :NHGKWRFTSPTHTVLAFAQALKELA T0339 286 :QNCEAYEAHMRDVRDYLEERLEAEFGQKRIH 1m32A 262 :GGVAARHQRYQQNQRSLVAGMRALGFNTLLD T0339 323 :GTQRLPNTCNFSIRG 1m32A 293 :DELHSPIITAFYSPE T0339 338 :PRLQGHVVLAQCRVLMASVGAA 1m32A 311 :YRFSEFYRRLKEQGFVIYPGKV T0339 381 :VARNALRLSVGRSTTRAEVDLVVQDLKQA 1m32A 333 :SQSDCFRIGNIGEVYAADITALLTAIRTA Number of specific fragments extracted= 15 number of extra gaps= 0 total=3036 Number of alignments=138 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1lc5A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0339 read from 1lc5A/merged-good-all-a2m # 1lc5A read from 1lc5A/merged-good-all-a2m # found chain 1lc5A in training set T0339 8 :Y 1lc5A 29 :F T0339 31 :GNPSSPYSAGRKAKDIINA 1lc5A 30 :SANINPLGMPVSVKRALID T0339 50 :ARESLAKMIGGKPQDIIFTSGGTESNNLVIHSV 1lc5A 64 :LHQALARHHQVPASWILAGNGETESIFTVASGL T0339 105 :GAKPHFITSSV 1lc5A 97 :KPRRAMIVTPG T0339 120 :IRL 1lc5A 108 :FAE T0339 124 :LEHLVEEQVAAVTFVPVSKVSG 1lc5A 111 :YGRALAQSGCEIRRWSLREADG T0339 146 :QTE 1lc5A 134 :QLT T0339 152 :ILAAVRPTTRLVTIMLANNETGIVMP 1lc5A 139 :ILEALTPDLDCLFLCTPNNPTGLLPE T0339 178 :VPEISQRIKALN 1lc5A 168 :LQAIADRCKSLN T0339 200 :ILVHTDAAQ 1lc5A 180 :INLILDEAF T0339 209 :ALGKQRVDVEDLG 1lc5A 191 :FIPHETGFIPALK T0339 224 :FLTIVGHKFY 1lc5A 209 :WVLRSLTKFY T0339 234 :GPR 1lc5A 220 :IPG T0339 237 :IGALYIRG 1lc5A 225 :LGYLVNSD T0339 246 :G 1lc5A 233 :D T0339 250 :PLYPMLFGGGQERNFR 1lc5A 234 :AAMARMRRQQMPWSVN T0339 275 :AGLGKAAELVTQ 1lc5A 250 :ALAALAGEVALQ T0339 287 :NC 1lc5A 264 :AW T0339 289 :EAYEAHMRDVRDYLEERLEAEFG 1lc5A 267 :QATWHWLREEGARFYQALCQLPL T0339 315 :IHLNSQ 1lc5A 290 :LTVYPG T0339 326 :R 1lc5A 296 :R T0339 328 :PNTCNFSIRGPRLQ 1lc5A 297 :ANYLLLRCEREDID T0339 345 :VLAQCRV 1lc5A 311 :LQRRLLT T0339 352 :LMASV 1lc5A 320 :ILIRS T0339 359 :ACHSDH 1lc5A 325 :CANYPG T0339 377 :VPF 1lc5A 331 :LDS T0339 384 :NALRLSVGR 1lc5A 334 :RYYRVAIRS T0339 396 :RAEVDLVVQDLKQA 1lc5A 343 :AAQNERLLAALRNV Number of specific fragments extracted= 28 number of extra gaps= 0 total=3064 Number of alignments=139 # 1lc5A read from 1lc5A/merged-good-all-a2m # found chain 1lc5A in training set Warning: unaligning (T0339)V410 because last residue in template chain is (1lc5A)L357 T0339 3 :KVYMD 1lc5A 26 :LLDFS T0339 8 :YNATTPLEPEVI 1lc5A 32 :NINPLGMPVSVK T0339 24 :KAMWEAWGNPSSPYS 1lc5A 44 :RALIDNLDCIERYPD T0339 41 :RKAKD 1lc5A 59 :ADYFH T0339 50 :ARESLAKMIGGKPQDIIFTSGGTESNNLVIHSV 1lc5A 64 :LHQALARHHQVPASWILAGNGETESIFTVASGL T0339 91 :TSK 1lc5A 97 :KPR T0339 109 :HFITSSVEHDSIRLPLEHL 1lc5A 100 :RAMIVTPGFAEYGRALAQS T0339 132 :VAAVTFVPVSKV 1lc5A 119 :GCEIRRWSLREA T0339 144 :SGQTE 1lc5A 132 :GWQLT T0339 149 :VDD 1lc5A 140 :LEA T0339 156 :VRPTTRLVTIMLANNETGIVMPVPEISQ 1lc5A 143 :LTPDLDCLFLCTPNNPTGLLPERPLLQA T0339 185 :IKALNQER 1lc5A 171 :IADRCKSL T0339 199 :PILVHTDAAQALGKQRVD 1lc5A 179 :NINLILDEAFIDFIPHET T0339 217 :VEDL 1lc5A 199 :IPAL T0339 221 :GV 1lc5A 204 :DN T0339 223 :DFLTIVGHK 1lc5A 208 :IWVLRSLTK T0339 232 :FY 1lc5A 218 :YA T0339 234 :GPRIGALYIR 1lc5A 222 :GLRLGYLVNS T0339 244 :G 1lc5A 233 :D T0339 245 :LGEFT 1lc5A 235 :AMARM T0339 252 :YPM 1lc5A 240 :RRQ T0339 256 :FG 1lc5A 243 :QM T0339 266 :PGTENTPMIAGLGKAAE 1lc5A 245 :PWSVNALAALAGEVALQ T0339 285 :TQ 1lc5A 262 :DS T0339 287 :NCEAYEAHMRDVRDYLEERLEA 1lc5A 265 :WQQATWHWLREEGARFYQALCQ T0339 312 :QKRIHLNSQF 1lc5A 287 :LPLLTVYPGR T0339 328 :PNTCNFSIRGPRLQ 1lc5A 297 :ANYLLLRCEREDID T0339 345 :VLAQCRV 1lc5A 311 :LQRRLLT T0339 352 :LMA 1lc5A 320 :ILI T0339 355 :SVGAACHSD 1lc5A 324 :SCANYPGLD T0339 383 :RNALRLSVG 1lc5A 333 :SRYYRVAIR T0339 395 :TRAEVDLVVQDLKQA 1lc5A 342 :SAAQNERLLAALRNV Number of specific fragments extracted= 32 number of extra gaps= 0 total=3096 Number of alignments=140 # 1lc5A read from 1lc5A/merged-good-all-a2m # found chain 1lc5A in training set T0339 9 :NATTPLEPEVIQAM 1lc5A 33 :INPLGMPVSVKRAL T0339 48 :NA 1lc5A 47 :ID T0339 50 :ARESLAKMIGGKPQDIIFTSGGTESNNLVIHSV 1lc5A 64 :LHQALARHHQVPASWILAGNGETESIFTVASGL T0339 106 :AKPHFITSSVEHDSIRLPLEHL 1lc5A 97 :KPRRAMIVTPGFAEYGRALAQS T0339 132 :VAAVTFVPVS 1lc5A 119 :GCEIRRWSLR T0339 142 :KVSGQTE 1lc5A 130 :ADGWQLT T0339 150 :DDILAAVRPTTRLVTIMLANNETGIVMP 1lc5A 137 :DAILEALTPDLDCLFLCTPNNPTGLLPE T0339 178 :VPEISQRIKA 1lc5A 168 :LQAIADRCKS T0339 198 :PPILVHTDAAQALGKQRVD 1lc5A 178 :LNINLILDEAFIDFIPHET T0339 217 :VEDLGVDFLTIVGHKFYGPR 1lc5A 202 :LKDNPHIWVLRSLTKFYAIP T0339 237 :IGALYIRGLGEFTPLYPMLFGGGQ 1lc5A 225 :LGYLVNSDDAAMARMRRQQMPWSV T0339 270 :NTP 1lc5A 249 :NAL T0339 277 :LGKAAELVT 1lc5A 252 :AALAGEVAL T0339 286 :QNCEAYEAHMRDVRDYLEERLEAEFGQKRIH 1lc5A 264 :AWQQATWHWLREEGARFYQALCQLPLLTVYP T0339 324 :TQRLPNTCNFSIRGPR 1lc5A 295 :GRANYLLLRCEREDID T0339 343 :HVVLAQCRVLMASV 1lc5A 311 :LQRRLLTQRILIRS T0339 359 :ACHSDHG 1lc5A 325 :CANYPGL T0339 382 :ARNALRLSVG 1lc5A 332 :DSRYYRVAIR T0339 395 :TRAEVDLVVQDLKQA 1lc5A 342 :SAAQNERLLAALRNV Number of specific fragments extracted= 19 number of extra gaps= 0 total=3115 Number of alignments=141 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1uu1A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1uu1A expands to /projects/compbio/data/pdb/1uu1.pdb.gz 1uu1A:# T0339 read from 1uu1A/merged-good-all-a2m # 1uu1A read from 1uu1A/merged-good-all-a2m # adding 1uu1A to template set # found chain 1uu1A in template set Warning: unaligning (T0339)S35 because of BadResidue code BAD_PEPTIDE in next template residue (1uu1A)P57 Warning: unaligning (T0339)P36 because of BadResidue code BAD_PEPTIDE at template residue (1uu1A)P57 T0339 2 :RKVYMD 1uu1A 20 :DKTYLA T0339 8 :YNATTPLEPEVIQAMTK 1uu1A 27 :NENPFPFPEDLVDEVFR T0339 28 :EAWGNPS 1uu1A 49 :ALRIYYD T0339 37 :Y 1uu1A 58 :D T0339 48 :NAARESLAKMIGG 1uu1A 59 :EELIEKILSYLDT T0339 61 :KPQDIIFTSGGTESNNLVIHSV 1uu1A 75 :SKNNVSVGNGADEIIYVMMLMF T0339 108 :PHFITSSVE 1uu1A 97 :DRSVFFPPT T0339 121 :RLPLEHLVEEQVAAVTFVPVSK 1uu1A 106 :YSCYRIFAKAVGAKFLEVPLTK T0339 144 :SGQTE 1uu1A 128 :DLRIP T0339 156 :VRPT 1uu1A 136 :VGEG T0339 161 :RLVTIMLANNETGIVMPVPEI 1uu1A 140 :DVVFIPNPNNPTGHVFEREEI T0339 183 :QRIKALN 1uu1A 161 :ERILKTG T0339 200 :ILVHTDAAQALGKQRVDVEDLG 1uu1A 168 :AFVALDEAYYEFHGESYVDFLK T0339 223 :DFLTIV 1uu1A 193 :NLAVIR T0339 229 :GHKFY 1uu1A 200 :FSKAF T0339 234 :GP 1uu1A 207 :AA T0339 236 :RIGALYIRG 1uu1A 210 :RVGYVVASE T0339 246 :GEFT 1uu1A 219 :KFID T0339 264 :FRPGTENTPMIAGLGKAAE 1uu1A 228 :RLPFNVSYVSQMFAKVALD T0339 283 :LVTQNCEAYEAHMRDVRDYLEER 1uu1A 250 :IFEERTKFIVEERERMKSALREM T0339 311 :G 1uu1A 273 :G T0339 315 :IHLN 1uu1A 274 :YRIT T0339 325 :QRLPNTCNFSIRG 1uu1A 278 :DSRGNFVFVFMEK T0339 340 :LQGHVVLAQCRV 1uu1A 291 :EEKERLLEHLRT T0339 352 :LMASV 1uu1A 305 :VAVRS T0339 382 :ARNALRLSVGR 1uu1A 310 :FREGVRITIGK T0339 396 :RAEVDLVVQDLK 1uu1A 321 :REENDMILRELE Number of specific fragments extracted= 27 number of extra gaps= 1 total=3142 Number of alignments=142 # 1uu1A read from 1uu1A/merged-good-all-a2m # found chain 1uu1A in template set Warning: unaligning (T0339)G40 because of BadResidue code BAD_PEPTIDE in next template residue (1uu1A)P57 Warning: unaligning (T0339)K42 because of BadResidue code BAD_PEPTIDE at template residue (1uu1A)P57 T0339 1 :ERK 1uu1A 17 :EKR T0339 4 :VYMD 1uu1A 22 :TYLA T0339 8 :YNATTPLEPEVIQAMTK 1uu1A 27 :NENPFPFPEDLVDEVFR T0339 30 :WGNPSSP 1uu1A 44 :RLNSDAL T0339 37 :YSA 1uu1A 53 :YYD T0339 43 :AK 1uu1A 58 :DE T0339 49 :AARESLAKMIG 1uu1A 60 :ELIEKILSYLD T0339 60 :GKPQDIIFTSGGTESNNLVIHSV 1uu1A 74 :LSKNNVSVGNGADEIIYVMMLMF T0339 95 :H 1uu1A 97 :D T0339 109 :HFITSSVEHDSIRLPLEHL 1uu1A 98 :RSVFFPPTYSCYRIFAKAV T0339 132 :VAAVTFVPVSK 1uu1A 117 :GAKFLEVPLTK T0339 144 :SGQTE 1uu1A 128 :DLRIP T0339 156 :VRPT 1uu1A 136 :VGEG T0339 161 :RLVTIMLANNETGIVMPVPEISQ 1uu1A 140 :DVVFIPNPNNPTGHVFEREEIER T0339 188 :LNQE 1uu1A 163 :ILKT T0339 199 :PILVHTDAAQALGKQRVDVEDL 1uu1A 167 :GAFVALDEAYYEFHGESYVDFL T0339 221 :GVDFLTIVGHK 1uu1A 192 :ENLAVIRTFSK T0339 232 :FY 1uu1A 204 :FS T0339 234 :GPRIGALYIR 1uu1A 208 :AQRVGYVVAS T0339 244 :GLGEFTPLYPM 1uu1A 219 :KFIDAYNRVRL T0339 266 :PGTENTPMIAGLGKAAEL 1uu1A 230 :PFNVSYVSQMFAKVALDH T0339 285 :TQNCEAYEAHMRDVRDYLEERLEAE 1uu1A 248 :REIFEERTKFIVEERERMKSALREM T0339 314 :RIHLNSQF 1uu1A 273 :GYRITDSR T0339 328 :PNTCNFSIRG 1uu1A 281 :GNFVFVFMEK T0339 340 :LQGHVVLAQCRV 1uu1A 291 :EEKERLLEHLRT T0339 352 :LMASVG 1uu1A 305 :VAVRSF T0339 383 :RNALRLSVG 1uu1A 311 :REGVRITIG T0339 395 :TRAEVDLVVQDLK 1uu1A 320 :KREENDMILRELE Number of specific fragments extracted= 28 number of extra gaps= 1 total=3170 Number of alignments=143 # 1uu1A read from 1uu1A/merged-good-all-a2m # found chain 1uu1A in template set Warning: unaligning (T0339)G40 because of BadResidue code BAD_PEPTIDE in next template residue (1uu1A)P57 T0339 1 :ERKVYMD 1uu1A 19 :RDKTYLA T0339 8 :YNATTPLEPEVIQAMTK 1uu1A 27 :NENPFPFPEDLVDEVFR T0339 30 :WGNPS 1uu1A 44 :RLNSD T0339 35 :SPYSA 1uu1A 51 :RIYYD T0339 48 :NAARESLAKMIGG 1uu1A 59 :EELIEKILSYLDT T0339 61 :KPQDIIFTSGGTESNNLVIHSV 1uu1A 75 :SKNNVSVGNGADEIIYVMMLMF T0339 108 :PHFITSSVEHDSIRLPLEHL 1uu1A 97 :DRSVFFPPTYSCYRIFAKAV T0339 132 :VAAVTFVPVS 1uu1A 117 :GAKFLEVPLT T0339 143 :VSGQTE 1uu1A 127 :KDLRIP T0339 156 :VRPT 1uu1A 136 :VGEG T0339 161 :RLVTIMLANNETGIVMPVPEISQRIK 1uu1A 140 :DVVFIPNPNNPTGHVFEREEIERILK T0339 198 :PPILVHTDAAQALGKQRVD 1uu1A 166 :TGAFVALDEAYYEFHGESY T0339 217 :VEDLGVDFLTIVGHKFYGPR 1uu1A 188 :LKKYENLAVIRTFSKAFSLA T0339 237 :IGALYIRGLGEFTPLYP 1uu1A 211 :VGYVVASEKFIDAYNRV T0339 264 :FRPGTENTPMIAGLGKAAELVT 1uu1A 228 :RLPFNVSYVSQMFAKVALDHRE T0339 286 :QNCEAYEAHMRDVRDYLEER 1uu1A 253 :ERTKFIVEERERMKSALREM T0339 320 :QFPGTQRLPNTCNFSIRGPRLQGHVVLAQCRVLMASV 1uu1A 273 :GYRITDSRGNFVFVFMEKEEKERLLEHLRTKNVAVRS T0339 382 :ARNALRLSVG 1uu1A 310 :FREGVRITIG T0339 395 :TRAEVDLVVQDLK 1uu1A 320 :KREENDMILRELE Number of specific fragments extracted= 19 number of extra gaps= 1 total=3189 Number of alignments=144 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1p3wA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1p3wA expands to /projects/compbio/data/pdb/1p3w.pdb.gz 1p3wA:# T0339 read from 1p3wA/merged-good-all-a2m # 1p3wA read from 1p3wA/merged-good-all-a2m # adding 1p3wA to template set # found chain 1p3wA in template set Warning: unaligning (T0339)A359 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1p3wA)E334 Warning: unaligning (T0339)Q367 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1p3wA)E334 T0339 1 :ERKVYMDYNATTPLEPEVIQAMTKAMW 1p3wA 2 :KLPIYLDYSATTPVDPRVAEKMMQFMT T0339 28 :EAWGNPSSP 1p3wA 31 :GTFGNPASR T0339 37 :YSAGRKAKDIINAARESLAKMIGGKPQDIIFTSGGTESNNLVIHSVVKHFH 1p3wA 41 :HRFGWQAEEAVDIARNQIADLVGADPREIVFTSGATESDNLAIKGAANFYQ T0339 105 :GAKPHFITSSVEHDSIRLPLEHL 1p3wA 92 :KKGKHIITSKTEHKAVLDTCRQL T0339 129 :EEQVAAVTFVPVSK 1p3wA 115 :EREGFEVTYLAPQR T0339 144 :SGQTEVDDILAAVRPTTRLVTIMLANNETGIVMPVPEISQRIKALN 1p3wA 129 :NGIIDLKELEAAMRDDTILVSIMHVNNEIGVVQDIAAIGEMCRARG T0339 200 :ILVHTDAAQALGKQRVDVEDLGVDFLTIVGHKFYGP 1p3wA 175 :IIYHVDATQSVGKLPIDLSQLKVDLMSFSGHKIYGP T0339 236 :RIGALYIRG 1p3wA 212 :GIGALYVRR T0339 246 :GEFTPLYPMLFGGGQERNFRPGTENTPMIAGLGKAAELVTQNCEAYEAHMRDVRDYLEERLEAEFG 1p3wA 221 :KPRVRIEAQMHGGGHERGMRSGTLPVHQIVGMGEAYRIAKEEMATEMERLRGLRNRLWNGIKDIEE T0339 315 :IHLNSQ 1p3wA 287 :VYLNGD T0339 323 :GTQRLPNTCNFSIRG 1p3wA 293 :LEHGAPNILNVSFNY T0339 340 :LQGHVVLAQCRVLMASVGA 1p3wA 308 :VEGESLIMALKDLAVSSGS T0339 368 :PSPVLLSYGVPFDVARNALRLSVGRSTTRAEVDLVVQDLKQAVAQLEDQ 1p3wA 335 :PSYVLRALGLNDELAHSSIRFSLGRFTTEEEIDYTIELVRKSIGRLRDL Number of specific fragments extracted= 13 number of extra gaps= 0 total=3202 Number of alignments=145 # 1p3wA read from 1p3wA/merged-good-all-a2m # found chain 1p3wA in template set Warning: unaligning (T0339)A359 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1p3wA)E334 Warning: unaligning (T0339)Q367 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1p3wA)E334 T0339 1 :ERKVYMDYNATTPLEPEVIQAMT 1p3wA 2 :KLPIYLDYSATTPVDPRVAEKMM T0339 28 :EAW 1p3wA 25 :QFM T0339 31 :GNPSSP 1p3wA 34 :GNPASR T0339 37 :YSAGRKAKDIINAARESLAKMIGGKPQDIIFTSGGTESNNLVIHSVVKHF 1p3wA 41 :HRFGWQAEEAVDIARNQIADLVGADPREIVFTSGATESDNLAIKGAANFY T0339 91 :TSKGH 1p3wA 91 :QKKGK T0339 109 :HFITSSVEHDSIRLPLEHL 1p3wA 96 :HIITSKTEHKAVLDTCRQL T0339 129 :EEQVAAVTFVPVSK 1p3wA 115 :EREGFEVTYLAPQR T0339 144 :SGQTEVDDILAAVRPTTRLVTIMLANNETGIVMPVPEISQ 1p3wA 129 :NGIIDLKELEAAMRDDTILVSIMHVNNEIGVVQDIAAIGE T0339 188 :LNQER 1p3wA 169 :MCRAR T0339 199 :PILVHTDAAQALGKQRVDVEDLGVDFLTIVGHK 1p3wA 174 :GIIYHVDATQSVGKLPIDLSQLKVDLMSFSGHK T0339 232 :FYGPRIGALYIR 1p3wA 208 :YGPKGIGALYVR T0339 244 :G 1p3wA 221 :K T0339 247 :EFTPLYPMLFGGGQERNFRPGTENTPMIAGLGKAAELVTQNCEAYEAHMRDVRDYLEERLEA 1p3wA 222 :PRVRIEAQMHGGGHERGMRSGTLPVHQIVGMGEAYRIAKEEMATEMERLRGLRNRLWNGIKD T0339 312 :QKRIHLNSQFP 1p3wA 284 :IEEVYLNGDLE T0339 325 :QRLPNTCNFSIRG 1p3wA 295 :HGAPNILNVSFNY T0339 340 :LQGHVVLAQCRVLMASVGA 1p3wA 308 :VEGESLIMALKDLAVSSGS T0339 368 :PSPVLLSYGVPFDVARNALRLSVGRSTTRAEVDLVVQDLKQAVAQLED 1p3wA 335 :PSYVLRALGLNDELAHSSIRFSLGRFTTEEEIDYTIELVRKSIGRLRD Number of specific fragments extracted= 17 number of extra gaps= 0 total=3219 Number of alignments=146 # 1p3wA read from 1p3wA/merged-good-all-a2m # found chain 1p3wA in template set Warning: unaligning (T0339)A359 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1p3wA)E334 Warning: unaligning (T0339)Q367 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1p3wA)E334 T0339 1 :ERKVYMDYNATTPLEPEVIQAMTKAMW 1p3wA 2 :KLPIYLDYSATTPVDPRVAEKMMQFMT T0339 28 :EAWGNPS 1p3wA 31 :GTFGNPA T0339 35 :SPYSAGRKAKDIINAARESLAKMIGGKPQDIIFTSGGTESNNLVIHSV 1p3wA 39 :RSHRFGWQAEEAVDIARNQIADLVGADPREIVFTSGATESDNLAIKGA T0339 100 :HSPVKGAKPHFITSSVEHDSIRLPLEHL 1p3wA 87 :ANFYQKKGKHIITSKTEHKAVLDTCRQL T0339 129 :EEQVAAVTFVPVS 1p3wA 115 :EREGFEVTYLAPQ T0339 143 :VSGQTEVDDILAAVRPTTRLVTIMLANNETGIVMPVPEISQRIKA 1p3wA 128 :RNGIIDLKELEAAMRDDTILVSIMHVNNEIGVVQDIAAIGEMCRA T0339 198 :PPILVHTDAAQALGKQRVDVEDLGVDFLTIVGHKFYGPR 1p3wA 173 :RGIIYHVDATQSVGKLPIDLSQLKVDLMSFSGHKIYGPK T0339 237 :IGALYIRGLGEFT 1p3wA 213 :IGALYVRRKPRVR T0339 251 :LYPMLFGGGQERNFRPGTENTPMIAGLGKAAELVTQNCEAYEAHMRDVRDYLEERLEAEFGQKRIH 1p3wA 226 :IEAQMHGGGHERGMRSGTLPVHQIVGMGEAYRIAKEEMATEMERLRGLRNRLWNGIKDIEEVYLNG T0339 322 :PGTQRLPNTCNFSIRGPRLQGHVVLAQ 1p3wA 292 :DLEHGAPNILNVSFNYVEGESLIMALK T0339 351 :VLMASVGA 1p3wA 319 :DLAVSSGS T0339 368 :PSPVLLSYGVPFDVARNALRLSVGRSTTRAEVDLVVQDLKQAVAQLED 1p3wA 335 :PSYVLRALGLNDELAHSSIRFSLGRFTTEEEIDYTIELVRKSIGRLRD Number of specific fragments extracted= 12 number of extra gaps= 0 total=3231 Number of alignments=147 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1o4sA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1o4sA expands to /projects/compbio/data/pdb/1o4s.pdb.gz 1o4sA:Skipped atom 146, because occupancy 0.330 <= existing 0.340 in 1o4sA Skipped atom 149, because occupancy 0.330 <= existing 0.340 in 1o4sA Skipped atom 152, because occupancy 0.330 <= existing 0.340 in 1o4sA Skipped atom 155, because occupancy 0.330 <= existing 0.340 in 1o4sA Skipped atom 507, because occupancy 0.500 <= existing 0.500 in 1o4sA Skipped atom 509, because occupancy 0.500 <= existing 0.500 in 1o4sA Skipped atom 511, because occupancy 0.500 <= existing 0.500 in 1o4sA Skipped atom 513, because occupancy 0.500 <= existing 0.500 in 1o4sA Skipped atom 515, because occupancy 0.500 <= existing 0.500 in 1o4sA Skipped atom 517, because occupancy 0.500 <= existing 0.500 in 1o4sA Skipped atom 709, because occupancy 0.350 <= existing 0.650 in 1o4sA Skipped atom 711, because occupancy 0.350 <= existing 0.650 in 1o4sA Skipped atom 713, because occupancy 0.350 <= existing 0.650 in 1o4sA Skipped atom 715, because occupancy 0.350 <= existing 0.650 in 1o4sA Skipped atom 1521, because occupancy 0.350 <= existing 0.650 in 1o4sA Skipped atom 1523, because occupancy 0.350 <= existing 0.650 in 1o4sA Skipped atom 1525, because occupancy 0.350 <= existing 0.650 in 1o4sA Skipped atom 1527, because occupancy 0.350 <= existing 0.650 in 1o4sA Skipped atom 2016, because occupancy 0.500 <= existing 0.500 in 1o4sA Skipped atom 2216, because occupancy 0.350 <= existing 0.650 in 1o4sA Skipped atom 2218, because occupancy 0.350 <= existing 0.650 in 1o4sA # T0339 read from 1o4sA/merged-good-all-a2m # 1o4sA read from 1o4sA/merged-good-all-a2m # adding 1o4sA to template set # found chain 1o4sA in template set Warning: unaligning (T0339)A168 because of BadResidue code BAD_PEPTIDE in next template residue (1o4sA)N172 Warning: unaligning (T0339)N169 because of BadResidue code BAD_PEPTIDE at template residue (1o4sA)N172 Warning: unaligning (T0339)P266 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1o4sA)S265 Warning: unaligning (T0339)G267 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1o4sA)S265 T0339 2 :RKVYMDYNATT 1o4sA 30 :DVINLTAGEPD T0339 13 :PLEPEVIQAMTKAMWEAWGN 1o4sA 42 :PTPEPVVEEAVRFLQKGEVK T0339 33 :PSSPYSA 1o4sA 65 :PRGIYEL T0339 47 :INAARESLAKMIGG 1o4sA 72 :REGIAKRIGERYKK T0339 61 :KPQDIIFTSGGTESNNLVIHSVV 1o4sA 88 :SPDQVVVTNGAKQALFNAFMALL T0339 105 :GAKPHFITSSVEHDSIRLPLEHL 1o4sA 111 :DPGDEVIVFSPVWVSYIPQIILA T0339 132 :VAAVTFVPVS 1o4sA 134 :GGTVNVVETF T0339 142 :KVSGQTEVDDILAAVRPTTRLVTIML 1o4sA 145 :SKNFQPSLEEVEGLLVGKTKAVLINS T0339 170 :NETGIVMP 1o4sA 173 :NPTGVVYR T0339 178 :VPEISQRIKALN 1o4sA 184 :LEGLVRLAKKRN T0339 200 :ILVHTDAAQALGKQRVD 1o4sA 196 :FYIISDEVYDSLVYTDE T0339 217 :V 1o4sA 217 :L T0339 224 :FLTIVGHKFY 1o4sA 227 :VYINGFSKSH T0339 234 :G 1o4sA 240 :G T0339 236 :RIGALYIRG 1o4sA 242 :RVGYLISSE T0339 246 :G 1o4sA 251 :K T0339 268 :TENTPMIAGLG 1o4sA 266 :CINTVAQYAAL T0339 283 :LVTQ 1o4sA 277 :KALE T0339 287 :NCEAYEAHMRDVRDYLEERLEAE 1o4sA 282 :DNSYMVQTFKERKNFVVERLKKM T0339 311 :G 1o4sA 305 :G T0339 315 :IHLNSQ 1o4sA 306 :VKFVEP T0339 325 :QRLP 1o4sA 312 :EGAF T0339 330 :TCNFSIRG 1o4sA 316 :YLFFKVRG T0339 340 :LQGHVVLAQCRV 1o4sA 324 :DDVKFCERLLEE T0339 352 :LMASVGAAC 1o4sA 338 :VALVPGSAF T0339 381 :VARNALRLSVGR 1o4sA 347 :LKPGFVRLSFAT T0339 395 :TRAEVDLVVQDLKQAV 1o4sA 359 :SIERLTEALDRIEDFL Number of specific fragments extracted= 27 number of extra gaps= 2 total=3258 Number of alignments=148 # 1o4sA read from 1o4sA/merged-good-all-a2m # found chain 1o4sA in template set Warning: unaligning (T0339)A168 because of BadResidue code BAD_PEPTIDE in next template residue (1o4sA)N172 Warning: unaligning (T0339)N169 because of BadResidue code BAD_PEPTIDE at template residue (1o4sA)N172 Warning: unaligning (T0339)P266 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1o4sA)S265 Warning: unaligning (T0339)G267 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1o4sA)S265 T0339 1 :ERKVYMDYNATT 1o4sA 29 :EDVINLTAGEPD T0339 13 :PLEPEVIQAMTKAMWE 1o4sA 42 :PTPEPVVEEAVRFLQK T0339 33 :PSSPYSAGRKAKDIINAARESLAKMIGGK 1o4sA 58 :GEVKYTDPRGIYELREGIAKRIGERYKKD T0339 62 :PQDIIFTSGGTESNNLVIHSV 1o4sA 89 :PDQVVVTNGAKQALFNAFMAL T0339 91 :TSKGH 1o4sA 110 :LDPGD T0339 109 :HFITSSVEHDSIRLPLEHL 1o4sA 115 :EVIVFSPVWVSYIPQIILA T0339 132 :VAAVTFVPVSKV 1o4sA 134 :GGTVNVVETFMS T0339 144 :SGQTEVDDILAAVRPTTRLVTIML 1o4sA 147 :NFQPSLEEVEGLLVGKTKAVLINS T0339 170 :NETGIVMPVPEISQ 1o4sA 173 :NPTGVVYRREFLEG T0339 185 :IKALNQER 1o4sA 187 :LVRLAKKR T0339 199 :PILVHTDAAQALGKQR 1o4sA 195 :NFYIISDEVYDSLVYT T0339 216 :D 1o4sA 214 :T T0339 217 :VEDL 1o4sA 217 :LDVS T0339 221 :GV 1o4sA 222 :GF T0339 223 :DFLTIVGHK 1o4sA 226 :IVYINGFSK T0339 232 :FY 1o4sA 236 :HS T0339 234 :GPRIGALYIR 1o4sA 240 :GWRVGYLISS T0339 244 :GLGEFTPLYPMLF 1o4sA 251 :KVATAVSKIQSHT T0339 268 :TENTPMIAGLGKA 1o4sA 266 :CINTVAQYAALKA T0339 285 :TQ 1o4sA 279 :LE T0339 287 :NCEAYEAHMRDVRDYLEERLEAE 1o4sA 282 :DNSYMVQTFKERKNFVVERLKKM T0339 314 :RIHLNSQFP 1o4sA 305 :GVKFVEPEG T0339 328 :PNTCNFSIRG 1o4sA 314 :AFYLFFKVRG T0339 341 :QGHVVLAQCRV 1o4sA 324 :DDVKFCERLLE T0339 352 :LMASVGAACHS 1o4sA 338 :VALVPGSAFLK T0339 383 :RNALRLSV 1o4sA 349 :PGFVRLSF T0339 393 :STTRAEVDLVVQDLKQAV 1o4sA 357 :ATSIERLTEALDRIEDFL Number of specific fragments extracted= 27 number of extra gaps= 2 total=3285 Number of alignments=149 # 1o4sA read from 1o4sA/merged-good-all-a2m # found chain 1o4sA in template set Warning: unaligning (T0339)A168 because of BadResidue code BAD_PEPTIDE in next template residue (1o4sA)N172 Warning: unaligning (T0339)N169 because of BadResidue code BAD_PEPTIDE at template residue (1o4sA)N172 Warning: unaligning (T0339)P266 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1o4sA)S265 Warning: unaligning (T0339)G267 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1o4sA)S265 T0339 1 :ERKVYMDYNATT 1o4sA 29 :EDVINLTAGEPD T0339 13 :PLEPEVIQAMTKAMWE 1o4sA 42 :PTPEPVVEEAVRFLQK T0339 29 :AWGNPSSPY 1o4sA 61 :KYTDPRGIY T0339 45 :DIINAARESLAKMIGG 1o4sA 70 :ELREGIAKRIGERYKK T0339 61 :KPQDIIFTSGGTESNNLVIHSV 1o4sA 88 :SPDQVVVTNGAKQALFNAFMAL T0339 104 :KGAKPHFITSSVEHDSIRLPLEHL 1o4sA 110 :LDPGDEVIVFSPVWVSYIPQIILA T0339 132 :VAAVTFVPVS 1o4sA 134 :GGTVNVVETF T0339 142 :KVSGQTEVDDILAAVRPTTRLVTIML 1o4sA 145 :SKNFQPSLEEVEGLLVGKTKAVLINS T0339 170 :NETGIVMP 1o4sA 173 :NPTGVVYR T0339 178 :VPEISQRIKA 1o4sA 184 :LEGLVRLAKK T0339 198 :PPILVHTDAAQ 1o4sA 194 :RNFYIISDEVY T0339 209 :ALGKQRVD 1o4sA 207 :LVYTDEFT T0339 217 :VEDLGVDFLTIVGHKFYGPR 1o4sA 220 :SEGFDRIVYINGFSKSHSMT T0339 237 :IGALYIRGLGEFTPLYP 1o4sA 243 :VGYLISSEKVATAVSKI T0339 265 :R 1o4sA 263 :T T0339 268 :TENTPMIAGLGKA 1o4sA 266 :CINTVAQYAALKA T0339 284 :VTQNCEAYEAHMRDVRDYLEERLEAEFGQKRIH 1o4sA 279 :LEVDNSYMVQTFKERKNFVVERLKKMGVKFVEP T0339 326 :RLPNTCNFSIRGPRLQGHVVLAQCRVLMASVGAA 1o4sA 312 :EGAFYLFFKVRGDDVKFCERLLEEKKVALVPGSA T0339 380 :DVARNALRLSVG 1o4sA 346 :FLKPGFVRLSFA T0339 394 :TTRAEVDLVVQDLKQAV 1o4sA 358 :TSIERLTEALDRIEDFL Number of specific fragments extracted= 20 number of extra gaps= 2 total=3305 Number of alignments=150 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1b5pA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0339 read from 1b5pA/merged-good-all-a2m # 1b5pA read from 1b5pA/merged-good-all-a2m # found chain 1b5pA in training set T0339 2 :RKVYMDYNATT 1b5pA 32 :DLVALTAGEPD T0339 13 :PLEPEVIQAMTKAMWEAWGN 1b5pA 44 :DTPEHVKEAARRALAQGKTK T0339 33 :PSSP 1b5pA 67 :PAGI T0339 44 :KDIINAARESLAKMIGG 1b5pA 71 :PELREALAEKFRRENGL T0339 61 :KPQDIIFTSGGTESNNLVIHSVV 1b5pA 90 :TPEETIVTVGGSQALFNLFQAIL T0339 105 :GAKPHFITSSVE 1b5pA 113 :DPGDEVIVLSPY T0339 121 :RLPLEHLVEEQVAAVTFVPVSKVSG 1b5pA 125 :WVSYPEMVRFAGGVVVEVETLPEEG T0339 146 :QTEVDDILAAVRPTTRLVTIMLANNETGIVMP 1b5pA 151 :VPDPERVRRAITPRTKALVVNSPNNPTGAVYP T0339 178 :VPEISQRIKALN 1b5pA 186 :LEALARLAVEHD T0339 200 :ILVHTDAAQALGKQRVD 1b5pA 198 :FYLVSDEIYEHLLYEGE T0339 217 :VED 1b5pA 219 :GRV T0339 222 :V 1b5pA 222 :A T0339 223 :DFLTIVGHKFYGP 1b5pA 226 :TLTVNGAAKAFAM T0339 236 :R 1b5pA 240 :G T0339 237 :IGALYIRG 1b5pA 243 :IGYACGPK T0339 246 :G 1b5pA 251 :E T0339 261 :ER 1b5pA 264 :TT T0339 268 :TENTPMIAGLGKAAE 1b5pA 266 :SPDTIAQWATLEALT T0339 283 :LVTQNCEAYEAHMRDVRDYLEERLEAE 1b5pA 284 :ASRAFVEMAREAYRRRRDLLLEGLTAL T0339 311 :G 1b5pA 311 :G T0339 315 :IHLN 1b5pA 312 :LKAV T0339 323 :GTQR 1b5pA 316 :RPSG T0339 328 :PNTCNFSIRGPRLQGHVVLAQCRV 1b5pA 320 :AFYVLMDTSPIAPDEVRAAERLLE T0339 352 :LMASVGA 1b5pA 346 :VAVVPGT T0339 379 :FDVARNALRLSVGR 1b5pA 353 :DFAAFGHVRLSYAT T0339 395 :TRAEVDLVVQD 1b5pA 367 :SEENLRKALER Number of specific fragments extracted= 26 number of extra gaps= 0 total=3331 Number of alignments=151 # 1b5pA read from 1b5pA/merged-good-all-a2m # found chain 1b5pA in training set T0339 2 :RKVYMDYNATTP 1b5pA 32 :DLVALTAGEPDF T0339 14 :LEPEVIQAMTKAMWE 1b5pA 45 :TPEHVKEAARRALAQ T0339 33 :PSSPYSAGRKAKDIINAARESLAKMIG 1b5pA 60 :GKTKYAPPAGIPELREALAEKFRRENG T0339 60 :GKPQDIIFTSGGTESNNLVIHSV 1b5pA 89 :VTPEETIVTVGGSQALFNLFQAI T0339 91 :TSKGH 1b5pA 112 :LDPGD T0339 109 :HFITSSVEHDSIRLPLEHL 1b5pA 117 :EVIVLSPYWVSYPEMVRFA T0339 132 :VAAVTFVPVSKV 1b5pA 136 :GGVVVEVETLPE T0339 144 :SGQTEVDDILAAVRPTTRLVTIMLANNETGIVMPVPEISQ 1b5pA 149 :GFVPDPERVRRAITPRTKALVVNSPNNPTGAVYPKEVLEA T0339 185 :IKALNQER 1b5pA 189 :LARLAVEH T0339 199 :PILVHTDAAQALGKQR 1b5pA 197 :DFYLVSDEIYEHLLYE T0339 215 :VDVEDL 1b5pA 216 :FSPGRV T0339 223 :DFLTIVGHK 1b5pA 226 :TLTVNGAAK T0339 232 :FY 1b5pA 236 :FA T0339 234 :GPRIGALYIR 1b5pA 240 :GWRIGYACGP T0339 244 :GLGEFT 1b5pA 251 :EVIKAM T0339 250 :PLYP 1b5pA 258 :SVSR T0339 256 :FG 1b5pA 262 :QS T0339 266 :PGTENTPMIAGLGKAAE 1b5pA 264 :TTSPDTIAQWATLEALT T0339 283 :LVTQNCEAYEAHMRDVRDYLEERLEAE 1b5pA 284 :ASRAFVEMAREAYRRRRDLLLEGLTAL T0339 314 :RIHLNSQFP 1b5pA 311 :GLKAVRPSG T0339 328 :PNTCNFSIRGPRLQGHVVLAQCRV 1b5pA 320 :AFYVLMDTSPIAPDEVRAAERLLE T0339 352 :LMASVGAACHS 1b5pA 346 :VAVVPGTDFAA T0339 383 :RNALRLS 1b5pA 357 :FGHVRLS T0339 392 :RSTTRAEVDLVVQD 1b5pA 364 :YATSEENLRKALER Number of specific fragments extracted= 24 number of extra gaps= 0 total=3355 Number of alignments=152 # 1b5pA read from 1b5pA/merged-good-all-a2m # found chain 1b5pA in training set T0339 2 :RKVYMDYNATT 1b5pA 32 :DLVALTAGEPD T0339 13 :PLEPEVIQAMTKAMWEAW 1b5pA 44 :DTPEHVKEAARRALAQGK T0339 31 :GNPSSPY 1b5pA 65 :APPAGIP T0339 45 :DIINAARESLAKMIGG 1b5pA 72 :ELREALAEKFRRENGL T0339 61 :KPQDIIFTSGGTESNNLVIHSV 1b5pA 90 :TPEETIVTVGGSQALFNLFQAI T0339 104 :KGAKPHFITSSVEHDSIRLPLEHL 1b5pA 112 :LDPGDEVIVLSPYWVSYPEMVRFA T0339 132 :VAAVTFVPVS 1b5pA 136 :GGVVVEVETL T0339 142 :KVSGQTEVDDILAAVRPTTRLVTIMLANNETGIVMP 1b5pA 147 :EEGFVPDPERVRRAITPRTKALVVNSPNNPTGAVYP T0339 178 :VPEISQRIKA 1b5pA 186 :LEALARLAVE T0339 198 :PPILVHTDAAQALGKQRVD 1b5pA 196 :HDFYLVSDEIYEHLLYEGE T0339 217 :VEDLGVDFLTIVGHKFYGPR 1b5pA 220 :RVAPEHTLTVNGAAKAFAMT T0339 237 :IGALYIRGLGEFTPLYPM 1b5pA 243 :IGYACGPKEVIKAMASVS T0339 263 :NFRPGTENTPMIAGLGKAAELVT 1b5pA 261 :RQSTTSPDTIAQWATLEALTNQE T0339 286 :QNCEAYEAHMRDVRDYLEERLEAEFGQKRIH 1b5pA 287 :AFVEMAREAYRRRRDLLLEGLTALGLKAVRP T0339 326 :RLPNTCNFSIRG 1b5pA 318 :SGAFYVLMDTSP T0339 338 :PRLQGHVVLAQCRVLMASVG 1b5pA 332 :PDEVRAAERLLEAGVAVVPG T0339 378 :PFDVARNALRLSVG 1b5pA 352 :TDFAAFGHVRLSYA T0339 394 :TTRAEVDLVVQD 1b5pA 366 :TSEENLRKALER Number of specific fragments extracted= 18 number of extra gaps= 0 total=3373 Number of alignments=153 # command:Warning: Couldn't open file /projects/compbio/experiments/protein-predict/casp7/T0339//projects/compbio/experiments/protein-predict/casp7/T0339/align.constraints_v3.costfcn or /projects/compbio/experiments/protein-predict/casp7/T0339//projects/compbio/experiments/protein-predict/casp7/T0339/align.constraints_v3.costfcn.gz for input Trying /projects/compbio/experiments/protein-predict/casp7/T0339/align.constraints_v3.costfcn # reading script from file /projects/compbio/experiments/protein-predict/casp7/T0339/align.constraints_v3.costfcn # future Constraint commands -> align # future HelixConstraint commands -> align # future StrandConstraint commands -> align # future SheetConstraint commands -> align # future Hbond commands -> align # future SSbond commands -> align # Constraint # added constraint: constraint((T0339)C331.CB, (T0339)L388.CB) [> 2.9471 = 4.9117 < 6.3853] w=1.0000 to align # Constraint # added constraint: constraint((T0339)V228.CB, (T0339)G238.CA) [> 3.0865 = 5.1441 < 6.6874] w=1.0000 to align # Constraint # added constraint: constraint((T0339)F224.CB, (T0339)I242.CB) [> 3.0129 = 5.0215 < 6.5279] w=1.0000 to align # Constraint # added constraint: constraint((T0339)A206.CB, (T0339)I227.CB) [> 3.2256 = 5.3760 < 6.9888] w=1.0000 to align # Constraint # added constraint: constraint((T0339)T204.CB, (T0339)L225.CB) [> 3.1772 = 5.2954 < 6.8840] w=1.0000 to align # Constraint # added constraint: constraint((T0339)V202.CB, (T0339)F224.CB) [> 4.3101 = 7.1834 < 9.3385] w=1.0000 to align # Constraint # added constraint: constraint((T0339)L201.CB, (T0339)F224.CB) [> 4.0954 = 6.8257 < 8.8735] w=1.0000 to align # Constraint # added constraint: constraint((T0339)T112.CB, (T0339)F137.CB) [> 3.4824 = 5.8041 < 7.5453] w=1.0000 to align # Constraint # added constraint: constraint((T0339)I111.CB, (T0339)V138.CB) [> 3.6969 = 6.1615 < 8.0099] w=1.0000 to align # Constraint # added constraint: constraint((T0339)H109.CB, (T0339)R161.CB) [> 3.7367 = 6.2278 < 8.0961] w=0.9933 to align # Constraint # added constraint: constraint((T0339)S74.CB, (T0339)G238.CA) [> 3.3585 = 5.5974 < 7.2767] w=0.9933 to align # Constraint # added constraint: constraint((T0339)H109.CB, (T0339)T136.CB) [> 3.6043 = 6.0071 < 7.8093] w=0.9933 to align # Constraint # added constraint: constraint((T0339)F110.CB, (T0339)T136.CB) [> 4.2433 = 7.0722 < 9.1938] w=0.9933 to align # Constraint # added constraint: constraint((T0339)H203.CB, (T0339)F224.CB) [> 2.8044 = 4.6739 < 6.0761] w=0.9933 to align # Constraint # added constraint: constraint((T0339)D205.CB, (T0339)T226.CB) [> 3.2637 = 5.4394 < 7.0713] w=0.9933 to align # Constraint # added constraint: constraint((T0339)L225.CB, (T0339)Y241.CB) [> 2.7615 = 4.6025 < 5.9832] w=0.9866 to align # Constraint # added constraint: constraint((T0339)G71.CA, (T0339)G238.CA) [> 2.9150 = 4.8584 < 6.3159] w=0.9866 to align # Constraint # added constraint: constraint((T0339)G70.CA, (T0339)G238.CA) [> 2.6214 = 4.3689 < 5.6796] w=0.9866 to align # Constraint # added constraint: constraint((T0339)G229.CA, (T0339)G238.CA) [> 3.3648 = 5.6080 < 7.2904] w=0.9866 to align # Constraint # added constraint: constraint((T0339)A206.CB, (T0339)T226.CB) [> 3.8494 = 6.4156 < 8.3403] w=0.9866 to align # Constraint # added constraint: constraint((T0339)I111.CB, (T0339)T136.CB) [> 2.9975 = 4.9958 < 6.4945] w=0.9866 to align # Constraint # added constraint: constraint((T0339)G71.CA, (T0339)V228.CB) [> 2.8492 = 4.7487 < 6.1733] w=0.9866 to align # Constraint # added constraint: constraint((T0339)V163.CB, (T0339)I200.CB) [> 3.3692 = 5.6153 < 7.2999] w=0.9818 to align # Constraint # added constraint: constraint((T0339)V163.CB, (T0339)L201.CB) [> 4.3137 = 7.1894 < 9.3463] w=0.9818 to align # Constraint # added constraint: constraint((T0339)V163.CB, (T0339)V202.CB) [> 3.1406 = 5.2344 < 6.8046] w=0.9818 to align # Constraint # added constraint: constraint((T0339)T112.CB, (T0339)V138.CB) [> 4.3628 = 7.2714 < 9.4528] w=0.9802 to align # Constraint # added constraint: constraint((T0339)A207.CB, (T0339)V228.CB) [> 2.8224 = 4.7041 < 6.1153] w=0.9800 to align # Constraint # added constraint: constraint((T0339)I111.CB, (T0339)T164.CB) [> 4.3334 = 7.2224 < 9.3891] w=0.9799 to align # Constraint # added constraint: constraint((T0339)F110.CB, (T0339)T164.CB) [> 3.8665 = 6.4441 < 8.3773] w=0.9799 to align # Constraint # added constraint: constraint((T0339)T204.CB, (T0339)T226.CB) [> 4.3149 = 7.1915 < 9.3490] w=0.9799 to align # Constraint # added constraint: constraint((T0339)N332.CB, (T0339)A385.CB) [> 3.1995 = 5.3325 < 6.9322] w=0.9799 to align # Constraint # added constraint: constraint((T0339)F333.CB, (T0339)A385.CB) [> 3.9162 = 6.5270 < 8.4851] w=0.9799 to align # Constraint # added constraint: constraint((T0339)F333.CB, (T0339)L386.CB) [> 3.2882 = 5.4803 < 7.1244] w=0.9799 to align # Constraint # added constraint: constraint((T0339)T226.CB, (T0339)L240.CB) [> 3.3182 = 5.5304 < 7.1895] w=0.9799 to align # Constraint # added constraint: constraint((T0339)S113.CB, (T0339)V138.CB) [> 3.3569 = 5.5949 < 7.2733] w=0.9799 to align # Constraint # added constraint: constraint((T0339)G71.CA, (T0339)T226.CB) [> 3.5171 = 5.8619 < 7.6204] w=0.9799 to align # Constraint # added constraint: constraint((T0339)S74.CB, (T0339)T226.CB) [> 2.5926 = 4.3209 < 5.6172] w=0.9799 to align # Constraint # added constraint: constraint((T0339)V78.CB, (T0339)F224.CB) [> 3.1821 = 5.3035 < 6.8945] w=0.9799 to align # Constraint # added constraint: constraint((T0339)F224.CB, (T0339)Y241.CB) [> 4.1918 = 6.9863 < 9.0822] w=0.9799 to align # Constraint # added constraint: constraint((T0339)L162.CB, (T0339)I200.CB) [> 3.7251 = 6.2084 < 8.0710] w=0.9751 to align # Constraint # added constraint: constraint((T0339)F110.CB, (T0339)L162.CB) [> 2.9355 = 4.8926 < 6.3604] w=0.9751 to align # Constraint # added constraint: constraint((T0339)I111.CB, (T0339)V163.CB) [> 2.8855 = 4.8092 < 6.2519] w=0.9751 to align # Constraint # added constraint: constraint((T0339)T204.CB, (T0339)F224.CB) [> 4.3483 = 7.2472 < 9.4214] w=0.9733 to align # Constraint # added constraint: constraint((T0339)V78.CB, (T0339)H203.CB) [> 3.4230 = 5.7049 < 7.4164] w=0.9733 to align # Constraint # added constraint: constraint((T0339)F110.CB, (T0339)V135.CB) [> 3.2437 = 5.4062 < 7.0281] w=0.9733 to align # Constraint # added constraint: constraint((T0339)F110.CB, (T0339)R161.CB) [> 4.0286 = 6.7144 < 8.7287] w=0.9732 to align # Constraint # added constraint: constraint((T0339)I227.CB, (T0339)G238.CA) [> 3.6955 = 6.1592 < 8.0070] w=0.9732 to align # Constraint # added constraint: constraint((T0339)S114.CB, (T0339)F137.CB) [> 3.1153 = 5.1921 < 6.7498] w=0.9732 to align # Constraint # added constraint: constraint((T0339)I111.CB, (T0339)L162.CB) [> 4.3730 = 7.2883 < 9.4748] w=0.9684 to align # Constraint # added constraint: constraint((T0339)T164.CB, (T0339)H203.CB) [> 2.7934 = 4.6556 < 6.0523] w=0.9666 to align # Constraint # added constraint: constraint((T0339)I227.CB, (T0339)A239.CB) [> 3.0756 = 5.1260 < 6.6638] w=0.9665 to align # Constraint # added constraint: constraint((T0339)S74.CB, (T0339)L240.CB) [> 2.8038 = 4.6731 < 6.0750] w=0.9665 to align # Constraint # added constraint: constraint((T0339)L162.CB, (T0339)L201.CB) [> 2.8324 = 4.7207 < 6.1368] w=0.9618 to align # Constraint # added constraint: constraint((T0339)N332.CB, (T0339)R387.CB) [> 3.1430 = 5.2383 < 6.8098] w=0.9617 to align # Constraint # added constraint: constraint((T0339)C331.CB, (T0339)R387.CB) [> 4.3166 = 7.1943 < 9.3526] w=0.9617 to align # Constraint # added constraint: constraint((T0339)R161.CB, (T0339)L201.CB) [> 4.0056 = 6.6760 < 8.6788] w=0.9599 to align # Constraint # added constraint: constraint((T0339)G71.CA, (T0339)A207.CB) [> 3.8295 = 6.3824 < 8.2971] w=0.9599 to align # Constraint # added constraint: constraint((T0339)T112.CB, (T0339)V135.CB) [> 3.6813 = 6.1355 < 7.9761] w=0.9599 to align # Constraint # added constraint: constraint((T0339)R161.CB, (T0339)I200.CB) [> 3.7151 = 6.1918 < 8.0493] w=0.9598 to align # Constraint # added constraint: constraint((T0339)G70.CA, (T0339)I237.CB) [> 3.5746 = 5.9577 < 7.7450] w=0.9598 to align # Constraint # added constraint: constraint((T0339)T112.CB, (T0339)T136.CB) [> 4.3977 = 7.3295 < 9.5284] w=0.9598 to align # Constraint # added constraint: constraint((T0339)N75.CB, (T0339)T226.CB) [> 3.4377 = 5.7295 < 7.4484] w=0.9598 to align # Constraint # added constraint: constraint((T0339)T226.CB, (T0339)A239.CB) [> 4.2978 = 7.1630 < 9.3119] w=0.9598 to align # Constraint # added constraint: constraint((T0339)T330.CB, (T0339)R387.CB) [> 3.6538 = 6.0896 < 7.9165] w=0.9598 to align # Constraint # added constraint: constraint((T0339)I65.CB, (T0339)L240.CB) [> 4.1434 = 6.9057 < 8.9774] w=0.9598 to align # Constraint # added constraint: constraint((T0339)V163.CB, (T0339)H203.CB) [> 4.1882 = 6.9803 < 9.0744] w=0.9551 to align # Constraint # added constraint: constraint((T0339)T112.CB, (T0339)T164.CB) [> 2.9285 = 4.8808 < 6.3451] w=0.9550 to align # Constraint # added constraint: constraint((T0339)H109.CB, (T0339)T160.CB) [> 2.8609 = 4.7682 < 6.1987] w=0.9550 to align # Constraint # added constraint: constraint((T0339)F67.CB, (T0339)A239.CB) [> 3.4381 = 5.7302 < 7.4493] w=0.9550 to align # Constraint # added constraint: constraint((T0339)N332.CB, (T0339)L386.CB) [> 4.2263 = 7.0439 < 9.1571] w=0.9550 to align # Constraint # added constraint: constraint((T0339)A206.CB, (T0339)L225.CB) [> 3.2490 = 5.4150 < 7.0395] w=0.9532 to align # Constraint # added constraint: constraint((T0339)S334.CB, (T0339)N384.CB) [> 3.6207 = 6.0346 < 7.8449] w=0.9531 to align # Constraint # added constraint: constraint((T0339)L225.CB, (T0339)L240.CB) [> 4.3020 = 7.1700 < 9.3210] w=0.9531 to align # Constraint # added constraint: constraint((T0339)N75.CB, (T0339)D205.CB) [> 4.0237 = 6.7062 < 8.7180] w=0.9512 to align # Constraint # added constraint: constraint((T0339)S74.CB, (T0339)A239.CB) [> 3.8869 = 6.4782 < 8.4217] w=0.9511 to align # Constraint # added constraint: constraint((T0339)L162.CB, (T0339)H203.CB) [> 3.5629 = 5.9381 < 7.7195] w=0.9484 to align # Constraint # added constraint: constraint((T0339)I65.CB, (T0339)Y241.CB) [> 3.3002 = 5.5004 < 7.1505] w=0.9483 to align # Constraint # added constraint: constraint((T0339)S334.CB, (T0339)A385.CB) [> 3.2308 = 5.3847 < 7.0002] w=0.9483 to align # Constraint # added constraint: constraint((T0339)V202.CB, (T0339)D223.CB) [> 3.1331 = 5.2218 < 6.7883] w=0.9466 to align # Constraint # added constraint: constraint((T0339)L201.CB, (T0339)D223.CB) [> 3.2051 = 5.3419 < 6.9445] w=0.9466 to align # Constraint # added constraint: constraint((T0339)A207.CB, (T0339)I227.CB) [> 3.5612 = 5.9354 < 7.7160] w=0.9465 to align # Constraint # added constraint: constraint((T0339)S114.CB, (T0339)P139.CB) [> 3.3666 = 5.6111 < 7.2944] w=0.9464 to align # Constraint # added constraint: constraint((T0339)M166.CB, (T0339)D205.CB) [> 2.6545 = 4.4241 < 5.7514] w=0.9435 to align # Constraint # added constraint: constraint((T0339)R305.CB, (T0339)V403.CB) [> 2.6950 = 4.4917 < 5.8391] w=0.9401 to align # Constraint # added constraint: constraint((T0339)H109.CB, (T0339)A134.CB) [> 2.8903 = 4.8172 < 6.2624] w=0.9397 to align # Constraint # added constraint: constraint((T0339)S69.CB, (T0339)I237.CB) [> 4.0928 = 6.8213 < 8.8676] w=0.9397 to align # Constraint # added constraint: constraint((T0339)R51.CB, (T0339)I65.CB) [> 2.9660 = 4.9434 < 6.4264] w=0.9331 to align # Constraint # added constraint: constraint((T0339)F110.CB, (T0339)A134.CB) [> 4.2685 = 7.1142 < 9.2485] w=0.9330 to align # Constraint # added constraint: constraint((T0339)S69.CB, (T0339)G238.CA) [> 4.1369 = 6.8948 < 8.9632] w=0.9330 to align # Constraint # added constraint: constraint((T0339)I66.CB, (T0339)A239.CB) [> 4.0008 = 6.6680 < 8.6683] w=0.9330 to align # Constraint # added constraint: constraint((T0339)T330.CB, (T0339)L388.CB) [> 4.1915 = 6.9858 < 9.0816] w=0.9330 to align # Constraint # added constraint: constraint((T0339)L162.CB, (T0339)V202.CB) [> 4.4253 = 7.3755 < 9.5881] w=0.9284 to align # Constraint # added constraint: constraint((T0339)T164.CB, (T0339)D205.CB) [> 4.0643 = 6.7738 < 8.8059] w=0.9283 to align # Constraint # added constraint: constraint((T0339)V78.CB, (T0339)T226.CB) [> 3.9645 = 6.6075 < 8.5897] w=0.9266 to align # Constraint # added constraint: constraint((T0339)V138.CB, (T0339)A155.CB) [> 3.2905 = 5.4842 < 7.1295] w=0.9264 to align # Constraint # added constraint: constraint((T0339)S113.CB, (T0339)F137.CB) [> 4.2451 = 7.0752 < 9.1978] w=0.9263 to align # Constraint # added constraint: constraint((T0339)I165.CB, (T0339)T204.CB) [> 3.2723 = 5.4538 < 7.0900] w=0.9254 to align # Constraint # added constraint: constraint((T0339)T68.CB, (T0339)G238.CA) [> 3.0092 = 5.0152 < 6.5198] w=0.9235 to align # Constraint # added constraint: constraint((T0339)F110.CB, (T0339)V163.CB) [> 4.4642 = 7.4403 < 9.6724] w=0.9228 to align # Constraint # added constraint: constraint((T0339)T330.CB, (T0339)S389.CB) [> 3.1691 = 5.2819 < 6.8664] w=0.9215 to align # Constraint # added constraint: constraint((T0339)I111.CB, (T0339)V156.CB) [> 4.0834 = 6.8057 < 8.8474] w=0.9198 to align # Constraint # added constraint: constraint((T0339)I65.CB, (T0339)A239.CB) [> 3.5957 = 5.9929 < 7.7908] w=0.9196 to align # Constraint # added constraint: constraint((T0339)V78.CB, (T0339)L240.CB) [> 3.8052 = 6.3419 < 8.2445] w=0.9196 to align # Constraint # added constraint: constraint((T0339)I111.CB, (T0339)A155.CB) [> 3.2601 = 5.4335 < 7.0636] w=0.9130 to align # Constraint # added constraint: constraint((T0339)H203.CB, (T0339)T226.CB) [> 4.1975 = 6.9959 < 9.0946] w=0.9129 to align # Constraint # added constraint: constraint((T0339)F224.CB, (T0339)L240.CB) [> 3.9029 = 6.5048 < 8.4562] w=0.9128 to align # Constraint # added constraint: constraint((T0339)L302.CB, (T0339)C331.CB) [> 3.6464 = 6.0774 < 7.9006] w=0.9089 to align # Constraint # added constraint: constraint((T0339)V82.CB, (T0339)L162.CB) [> 3.3966 = 5.6610 < 7.3594] w=0.9085 to align # Constraint # added constraint: constraint((T0339)T160.CB, (T0339)I200.CB) [> 3.2550 = 5.4250 < 7.0526] w=0.9082 to align # Constraint # added constraint: constraint((T0339)F333.CB, (T0339)L388.CB) [> 4.0755 = 6.7925 < 8.8302] w=0.9081 to align # Constraint # added constraint: constraint((T0339)S53.CB, (T0339)A281.CB) [> 3.2107 = 5.3511 < 6.9565] w=0.9067 to align # Constraint # added constraint: constraint((T0339)D223.CB, (T0339)I242.CB) [> 4.1021 = 6.8368 < 8.8878] w=0.9063 to align # Constraint # added constraint: constraint((T0339)V138.CB, (T0339)I152.CB) [> 3.4100 = 5.6834 < 7.3884] w=0.9061 to align # Constraint # added constraint: constraint((T0339)S113.CB, (T0339)I165.CB) [> 3.5657 = 5.9429 < 7.7258] w=0.9053 to align # Constraint # added constraint: constraint((T0339)T68.CB, (T0339)A239.CB) [> 3.9248 = 6.5413 < 8.5038] w=0.9033 to align # Constraint # added constraint: constraint((T0339)M166.CB, (T0339)T204.CB) [> 4.2247 = 7.0411 < 9.1534] w=0.9033 to align # Constraint # added constraint: constraint((T0339)F110.CB, (T0339)A133.CB) [> 3.3524 = 5.5874 < 7.2636] w=0.9015 to align # Constraint # added constraint: constraint((T0339)I66.CB, (T0339)L240.CB) [> 2.9070 = 4.8450 < 6.2984] w=0.9014 to align # Constraint # added constraint: constraint((T0339)I237.CB, (T0339)L277.CB) [> 3.3532 = 5.5886 < 7.2652] w=0.9001 to align # Constraint # added constraint: constraint((T0339)E73.CB, (T0339)G238.CA) [> 4.3093 = 7.1822 < 9.3368] w=0.8994 to align # Constraint # added constraint: constraint((T0339)V298.CB, (T0339)V390.CB) [> 2.9590 = 4.9317 < 6.4112] w=0.8988 to align # Constraint # added constraint: constraint((T0339)N75.CB, (T0339)P123.CB) [> 3.6586 = 6.0977 < 7.9270] w=0.8967 to align # Constraint # added constraint: constraint((T0339)H109.CB, (T0339)A133.CB) [> 4.1618 = 6.9363 < 9.0172] w=0.8948 to align # Constraint # added constraint: constraint((T0339)F67.CB, (T0339)G238.CA) [> 3.8459 = 6.4099 < 8.3329] w=0.8947 to align # Constraint # added constraint: constraint((T0339)F110.CB, (T0339)T160.CB) [> 4.2986 = 7.1643 < 9.3136] w=0.8947 to align # Constraint # added constraint: constraint((T0339)T136.CB, (T0339)A155.CB) [> 3.2754 = 5.4590 < 7.0967] w=0.8928 to align # Constraint # added constraint: constraint((T0339)S114.CB, (T0339)V140.CB) [> 3.8370 = 6.3949 < 8.3134] w=0.8927 to align # Constraint # added constraint: constraint((T0339)V138.CB, (T0339)D151.CB) [> 3.1887 = 5.3145 < 6.9088] w=0.8927 to align # Constraint # added constraint: constraint((T0339)T68.CB, (T0339)L240.CB) [> 3.7680 = 6.2799 < 8.1639] w=0.8899 to align # Constraint # added constraint: constraint((T0339)T68.CB, (T0339)L77.CB) [> 3.8533 = 6.4222 < 8.3488] w=0.8899 to align # Constraint # added constraint: constraint((T0339)I335.CB, (T0339)L386.CB) [> 3.8107 = 6.3512 < 8.2565] w=0.8880 to align # Constraint # added constraint: constraint((T0339)I111.CB, (T0339)T160.CB) [> 3.3965 = 5.6608 < 7.3590] w=0.8880 to align # Constraint # added constraint: constraint((T0339)V298.CB, (T0339)V399.CB) [> 3.5932 = 5.9886 < 7.7852] w=0.8867 to align # Constraint # added constraint: constraint((T0339)G70.CA, (T0339)V228.CB) [> 3.5524 = 5.9207 < 7.6969] w=0.8861 to align # Constraint # added constraint: constraint((T0339)N329.CB, (T0339)S389.CB) [> 3.6233 = 6.0389 < 7.8506] w=0.8861 to align # Constraint # added constraint: constraint((T0339)A207.CB, (T0339)T226.CB) [> 4.1276 = 6.8793 < 8.9430] w=0.8794 to align # Constraint # added constraint: constraint((T0339)I165.CB, (T0339)D205.CB) [> 4.1587 = 6.9312 < 9.0105] w=0.8786 to align # Constraint # added constraint: constraint((T0339)I165.CB, (T0339)I181.CB) [> 3.8733 = 6.4555 < 8.3922] w=0.8759 to align # Constraint # added constraint: constraint((T0339)I237.CB, (T0339)M273.CB) [> 3.0968 = 5.1614 < 6.7098] w=0.8756 to align # Constraint # added constraint: constraint((T0339)R299.CB, (T0339)C331.CB) [> 3.7297 = 6.2161 < 8.0810] w=0.8747 to align # Constraint # added constraint: constraint((T0339)G71.CA, (T0339)I227.CB) [> 4.1838 = 6.9729 < 9.0648] w=0.8726 to align # Constraint # added constraint: constraint((T0339)F67.CB, (T0339)I237.CB) [> 3.9454 = 6.5757 < 8.5484] w=0.8717 to align # Constraint # added constraint: constraint((T0339)L167.CB, (T0339)M176.CB) [> 3.1791 = 5.2985 < 6.8880] w=0.8698 to align # Constraint # added constraint: constraint((T0339)L306.CB, (T0339)F333.CB) [> 3.6128 = 6.0213 < 7.8277] w=0.8683 to align # Constraint # added constraint: constraint((T0339)I165.CB, (T0339)H203.CB) [> 4.3211 = 7.2019 < 9.3624] w=0.8631 to align # Constraint # added constraint: constraint((T0339)H109.CB, (T0339)T159.CB) [> 3.0512 = 5.0852 < 6.6108] w=0.8612 to align # Constraint # added constraint: constraint((T0339)V82.CB, (T0339)L201.CB) [> 3.4691 = 5.7818 < 7.5164] w=0.8606 to align # Constraint # added constraint: constraint((T0339)G173.CA, (T0339)T330.CB) [> 3.1518 = 5.2530 < 6.8289] w=0.8605 to align # Constraint # added constraint: constraint((T0339)L302.CB, (T0339)L388.CB) [> 3.9960 = 6.6599 < 8.6579] w=0.8601 to align # Constraint # added constraint: constraint((T0339)H203.CB, (T0339)D223.CB) [> 4.1685 = 6.9476 < 9.0318] w=0.8596 to align # Constraint # added constraint: constraint((T0339)N170.CB, (T0339)Q208.CB) [> 3.5755 = 5.9591 < 7.7469] w=0.8546 to align # Constraint # added constraint: constraint((T0339)S114.CB, (T0339)V138.CB) [> 4.0721 = 6.7868 < 8.8228] w=0.8528 to align # Constraint # added constraint: constraint((T0339)T226.CB, (T0339)G238.CA) [> 4.4213 = 7.3689 < 9.5795] w=0.8505 to align # Constraint # added constraint: constraint((T0339)I165.CB, (T0339)V202.CB) [> 4.1760 = 6.9600 < 9.0480] w=0.8497 to align # Constraint # added constraint: constraint((T0339)A168.CB, (T0339)Q208.CB) [> 2.7038 = 4.5063 < 5.8582] w=0.8497 to align # Constraint # added constraint: constraint((T0339)I315.CB, (T0339)F333.CB) [> 3.2426 = 5.4043 < 7.0256] w=0.8471 to align # Constraint # added constraint: constraint((T0339)Y301.CB, (T0339)V399.CB) [> 3.4111 = 5.6852 < 7.3907] w=0.8471 to align # Constraint # added constraint: constraint((T0339)I181.CB, (T0339)V202.CB) [> 4.0206 = 6.7010 < 8.7112] w=0.8454 to align # Constraint # added constraint: constraint((T0339)V202.CB, (T0339)V222.CB) [> 3.3384 = 5.5641 < 7.2333] w=0.8453 to align # Constraint # added constraint: constraint((T0339)S113.CB, (T0339)V140.CB) [> 3.4237 = 5.7062 < 7.4180] w=0.8449 to align # Constraint # added constraint: constraint((T0339)I111.CB, (T0339)I152.CB) [> 4.1555 = 6.9258 < 9.0035] w=0.8391 to align # Constraint # added constraint: constraint((T0339)I79.CB, (T0339)L127.CB) [> 3.3871 = 5.6452 < 7.3387] w=0.8391 to align # Constraint # added constraint: constraint((T0339)L77.CB, (T0339)L240.CB) [> 3.8485 = 6.4141 < 8.3384] w=0.8371 to align # Constraint # added constraint: constraint((T0339)I335.CB, (T0339)N384.CB) [> 3.3121 = 5.5201 < 7.1761] w=0.8344 to align # Constraint # added constraint: constraint((T0339)L352.CB, (T0339)D405.CB) [> 3.4622 = 5.7704 < 7.5015] w=0.8337 to align # Constraint # added constraint: constraint((T0339)M295.CB, (T0339)V390.CB) [> 3.5093 = 5.8489 < 7.6035] w=0.8324 to align # Constraint # added constraint: constraint((T0339)I165.CB, (T0339)M176.CB) [> 3.6590 = 6.0984 < 7.9279] w=0.8315 to align # Constraint # added constraint: constraint((T0339)V156.CB, (T0339)I200.CB) [> 4.0088 = 6.6813 < 8.6857] w=0.8307 to align # Constraint # added constraint: constraint((T0339)T68.CB, (T0339)I237.CB) [> 4.3049 = 7.1749 < 9.3273] w=0.8299 to align # Constraint # added constraint: constraint((T0339)V82.CB, (T0339)R161.CB) [> 3.7819 = 6.3031 < 8.1940] w=0.8261 to align # Constraint # added constraint: constraint((T0339)M295.CB, (T0339)N329.CB) [> 3.0867 = 5.1445 < 6.6879] w=0.8216 to align # Constraint # added constraint: constraint((T0339)L54.CB, (T0339)I65.CB) [> 3.1464 = 5.2440 < 6.8172] w=0.8212 to align # Constraint # added constraint: constraint((T0339)T164.CB, (T0339)T204.CB) [> 4.5531 = 7.5885 < 9.8651] w=0.8212 to align # Constraint # added constraint: constraint((T0339)V163.CB, (T0339)I181.CB) [> 4.0599 = 6.7664 < 8.7964] w=0.8204 to align # Constraint # added constraint: constraint((T0339)I79.CB, (T0339)F110.CB) [> 4.2098 = 7.0163 < 9.1212] w=0.8203 to align # Constraint # added constraint: constraint((T0339)L124.CB, (T0339)V135.CB) [> 3.2643 = 5.4405 < 7.0727] w=0.8191 to align # Constraint # added constraint: constraint((T0339)V228.CB, (T0339)I237.CB) [> 4.4008 = 7.3347 < 9.5351] w=0.8191 to align # Constraint # added constraint: constraint((T0339)E116.CB, (T0339)M166.CB) [> 3.6296 = 6.0494 < 7.8642] w=0.8182 to align # Constraint # added constraint: constraint((T0339)N76.CB, (T0339)P123.CB) [> 3.2781 = 5.4635 < 7.1025] w=0.8144 to align # Constraint # added constraint: constraint((T0339)D64.CB, (T0339)I242.CB) [> 3.4857 = 5.8095 < 7.5523] w=0.8136 to align # Constraint # added constraint: constraint((T0339)I237.CB, (T0339)I274.CB) [> 3.9650 = 6.6083 < 8.5907] w=0.8135 to align # Constraint # added constraint: constraint((T0339)T172.CB, (T0339)N332.CB) [> 3.3988 = 5.6646 < 7.3640] w=0.8114 to align # Constraint # added constraint: constraint((T0339)E303.CB, (T0339)C331.CB) [> 3.7209 = 6.2015 < 8.0620] w=0.8084 to align # Constraint # added constraint: constraint((T0339)D64.CB, (T0339)Y241.CB) [> 3.7598 = 6.2663 < 8.1462] w=0.8082 to align # Constraint # added constraint: constraint((T0339)N332.CB, (T0339)L388.CB) [> 4.4925 = 7.4875 < 9.7337] w=0.8076 to align # Constraint # added constraint: constraint((T0339)V18.CB, (T0339)A280.CB) [> 3.1767 = 5.2945 < 6.8829] w=0.8071 to align # Constraint # added constraint: constraint((T0339)I315.CB, (T0339)S334.CB) [> 4.2415 = 7.0691 < 9.1898] w=0.8069 to align # Constraint # added constraint: constraint((T0339)L302.CB, (T0339)V399.CB) [> 3.1917 = 5.3195 < 6.9153] w=0.8069 to align # Constraint # added constraint: constraint((T0339)S182.CB, (T0339)V202.CB) [> 3.4084 = 5.6806 < 7.3848] w=0.8053 to align # Constraint # added constraint: constraint((T0339)I79.CB, (T0339)L124.CB) [> 3.8457 = 6.4096 < 8.3324] w=0.8023 to align # Constraint # added constraint: constraint((T0339)G173.CA, (T0339)N332.CB) [> 3.9693 = 6.6155 < 8.6002] w=0.8021 to align # Constraint # added constraint: constraint((T0339)F67.CB, (T0339)I274.CB) [> 3.8812 = 6.4686 < 8.4092] w=0.8020 to align # Constraint # added constraint: constraint((T0339)T112.CB, (T0339)V163.CB) [> 4.5526 = 7.5877 < 9.8640] w=0.8009 to align # Constraint # added constraint: constraint((T0339)V390.CB, (T0339)V399.CB) [> 4.1971 = 6.9952 < 9.0938] w=0.7987 to align # Constraint # added constraint: constraint((T0339)L167.CB, (T0339)D205.CB) [> 4.1695 = 6.9491 < 9.0339] w=0.7973 to align # Constraint # added constraint: constraint((T0339)N329.CB, (T0339)V390.CB) [> 3.1249 = 5.2081 < 6.7706] w=0.7935 to align # Constraint # added constraint: constraint((T0339)L302.CB, (T0339)V403.CB) [> 4.1976 = 6.9960 < 9.0949] w=0.7930 to align # Constraint # added constraint: constraint((T0339)S113.CB, (T0339)M166.CB) [> 4.0725 = 6.7875 < 8.8238] w=0.7897 to align # Constraint # added constraint: constraint((T0339)V356.CB, (T0339)L386.CB) [> 3.6117 = 6.0195 < 7.8253] w=0.7864 to align # Constraint # added constraint: constraint((T0339)V115.CB, (T0339)V140.CB) [> 3.5845 = 5.9741 < 7.7663] w=0.7846 to align # Constraint # added constraint: constraint((T0339)I58.CB, (T0339)Y241.CB) [> 3.3472 = 5.5786 < 7.2522] w=0.7837 to align # Constraint # added constraint: constraint((T0339)V18.CB, (T0339)G276.CA) [> 3.2487 = 5.4145 < 7.0388] w=0.7823 to align # Constraint # added constraint: constraint((T0339)I185.CB, (T0339)V202.CB) [> 3.1485 = 5.2476 < 6.8218] w=0.7813 to align # Constraint # added constraint: constraint((T0339)A50.CB, (T0339)F67.CB) [> 3.8548 = 6.4247 < 8.3520] w=0.7810 to align # Constraint # added constraint: constraint((T0339)F110.CB, (T0339)L124.CB) [> 3.5094 = 5.8489 < 7.6036] w=0.7808 to align # Constraint # added constraint: constraint((T0339)A21.CB, (T0339)K279.CB) [> 2.6881 = 4.4801 < 5.8242] w=0.7804 to align # Constraint # added constraint: constraint((T0339)I58.CB, (T0339)L225.CB) [> 3.9866 = 6.6443 < 8.6375] w=0.7792 to align # Constraint # added constraint: constraint((T0339)V149.CB, (T0339)E180.CB) [> 3.1228 = 5.2046 < 6.7660] w=0.7788 to align # Constraint # added constraint: constraint((T0339)L167.CB, (T0339)T204.CB) [> 3.6576 = 6.0960 < 7.9248] w=0.7771 to align # Constraint # added constraint: constraint((T0339)V163.CB, (T0339)I185.CB) [> 3.4410 = 5.7350 < 7.4555] w=0.7764 to align # Constraint # added constraint: constraint((T0339)L167.CB, (T0339)Q208.CB) [> 4.2863 = 7.1438 < 9.2869] w=0.7763 to align # Constraint # added constraint: constraint((T0339)I46.CB, (T0339)A275.CB) [> 3.6552 = 6.0921 < 7.9197] w=0.7732 to align # Constraint # added constraint: constraint((T0339)A50.CB, (T0339)G278.CA) [> 3.1841 = 5.3068 < 6.8989] w=0.7727 to align # Constraint # added constraint: constraint((T0339)L302.CB, (T0339)V390.CB) [> 3.4878 = 5.8130 < 7.5568] w=0.7723 to align # Constraint # added constraint: constraint((T0339)G60.CA, (T0339)Y241.CB) [> 3.8788 = 6.4646 < 8.4040] w=0.7721 to align # Constraint # added constraint: constraint((T0339)I152.CB, (T0339)I181.CB) [> 3.9754 = 6.6257 < 8.6134] w=0.7716 to align # Constraint # added constraint: constraint((T0339)D223.CB, (T0339)R243.CB) [> 3.5346 = 5.8910 < 7.6582] w=0.7703 to align # Constraint # added constraint: constraint((T0339)G229.CA, (T0339)L277.CB) [> 3.6719 = 6.1198 < 7.9557] w=0.7685 to align # Constraint # added constraint: constraint((T0339)L352.CB, (T0339)V402.CB) [> 3.5088 = 5.8480 < 7.6024] w=0.7682 to align # Constraint # added constraint: constraint((T0339)A354.CB, (T0339)R387.CB) [> 3.9544 = 6.5907 < 8.5679] w=0.7682 to align # Constraint # added constraint: constraint((T0339)E125.CB, (T0339)V135.CB) [> 4.0401 = 6.7334 < 8.7534] w=0.7674 to align # Constraint # added constraint: constraint((T0339)I227.CB, (T0339)Y241.CB) [> 4.3923 = 7.3205 < 9.5167] w=0.7654 to align # Constraint # added constraint: constraint((T0339)V115.CB, (T0339)N169.CB) [> 3.6150 = 6.0250 < 7.8326] w=0.7648 to align # Constraint # added constraint: constraint((T0339)V115.CB, (T0339)T172.CB) [> 3.9509 = 6.5849 < 8.5604] w=0.7645 to align # Constraint # added constraint: constraint((T0339)V18.CB, (T0339)K279.CB) [> 3.3154 = 5.5258 < 7.1835] w=0.7622 to align # Constraint # added constraint: constraint((T0339)S355.CB, (T0339)R387.CB) [> 3.0222 = 5.0371 < 6.5482] w=0.7616 to align # Constraint # added constraint: constraint((T0339)A354.CB, (T0339)L388.CB) [> 3.3320 = 5.5533 < 7.2193] w=0.7615 to align # Constraint # added constraint: constraint((T0339)A354.CB, (T0339)L386.CB) [> 3.1251 = 5.2086 < 6.7712] w=0.7615 to align # Constraint # added constraint: constraint((T0339)A21.CB, (T0339)G276.CA) [> 2.7646 = 4.6077 < 5.9900] w=0.7603 to align # Constraint # added constraint: constraint((T0339)A49.CB, (T0339)G278.CA) [> 3.8770 = 6.4618 < 8.4003] w=0.7548 to align # Constraint # added constraint: constraint((T0339)N9.CB, (T0339)S389.CB) [> 3.0383 = 5.0639 < 6.5830] w=0.7535 to align # Constraint # added constraint: constraint((T0339)H109.CB, (T0339)V135.CB) [> 4.4460 = 7.4100 < 9.6331] w=0.7516 to align # Constraint # added constraint: constraint((T0339)H117.CB, (T0339)M166.CB) [> 3.8651 = 6.4418 < 8.3743] w=0.7511 to align # Constraint # added constraint: constraint((T0339)L306.CB, (T0339)L406.CB) [> 4.2845 = 7.1408 < 9.2831] w=0.7507 to align # Constraint # added constraint: constraint((T0339)S355.CB, (T0339)L386.CB) [> 4.1508 = 6.9180 < 8.9935] w=0.7482 to align # Constraint # added constraint: constraint((T0339)Y301.CB, (T0339)R396.CB) [> 3.8104 = 6.3506 < 8.2558] w=0.7465 to align # Constraint # added constraint: constraint((T0339)L306.CB, (T0339)V403.CB) [> 4.0426 = 6.7377 < 8.7590] w=0.7465 to align # Constraint # added constraint: constraint((T0339)L167.CB, (T0339)A206.CB) [> 3.5180 = 5.8633 < 7.6223] w=0.7457 to align # Constraint # added constraint: constraint((T0339)R299.CB, (T0339)V390.CB) [> 3.1447 = 5.2412 < 6.8136] w=0.7456 to align # Constraint # added constraint: constraint((T0339)N75.CB, (T0339)I120.CB) [> 3.7256 = 6.2093 < 8.0721] w=0.7454 to align # Constraint # added constraint: constraint((T0339)H203.CB, (T0339)L225.CB) [> 4.3735 = 7.2892 < 9.4760] w=0.7434 to align # Constraint # added constraint: constraint((T0339)T226.CB, (T0339)Y241.CB) [> 4.4430 = 7.4050 < 9.6264] w=0.7434 to align # Constraint # added constraint: constraint((T0339)I111.CB, (T0339)F137.CB) [> 4.5289 = 7.5481 < 9.8125] w=0.7433 to align # Constraint # added constraint: constraint((T0339)Y8.CB, (T0339)S389.CB) [> 3.2230 = 5.3717 < 6.9833] w=0.7421 to align # Constraint # added constraint: constraint((T0339)E17.CB, (T0339)L283.CB) [> 3.5982 = 5.9971 < 7.7962] w=0.7401 to align # Constraint # added constraint: constraint((T0339)S74.CB, (T0339)I227.CB) [> 4.3330 = 7.2217 < 9.3882] w=0.7381 to align # Constraint # added constraint: constraint((T0339)T112.CB, (T0339)L124.CB) [> 3.8050 = 6.3416 < 8.2441] w=0.7380 to align # Constraint # added constraint: constraint((T0339)S182.CB, (T0339)V222.CB) [> 3.7987 = 6.3312 < 8.2305] w=0.7375 to align # Constraint # added constraint: constraint((T0339)I79.CB, (T0339)P123.CB) [> 3.2925 = 5.4875 < 7.1337] w=0.7359 to align # Constraint # added constraint: constraint((T0339)A50.CB, (T0339)A281.CB) [> 4.0784 = 6.7973 < 8.8365] w=0.7324 to align # Constraint # added constraint: constraint((T0339)L225.CB, (T0339)I242.CB) [> 4.2461 = 7.0769 < 9.1999] w=0.7319 to align # Constraint # added constraint: constraint((T0339)A207.CB, (T0339)K231.CB) [> 3.4361 = 5.7269 < 7.4449] w=0.7318 to align # Constraint # added constraint: constraint((T0339)I58.CB, (T0339)V217.CB) [> 3.3988 = 5.6647 < 7.3641] w=0.7307 to align # Constraint # added constraint: constraint((T0339)L54.CB, (T0339)A239.CB) [> 3.3851 = 5.6419 < 7.3344] w=0.7301 to align # Constraint # added constraint: constraint((T0339)A21.CB, (T0339)A275.CB) [> 3.2039 = 5.3398 < 6.9417] w=0.7287 to align # Constraint # added constraint: constraint((T0339)E171.CB, (T0339)R387.CB) [> 3.2775 = 5.4624 < 7.1012] w=0.7271 to align # Constraint # added constraint: constraint((T0339)V298.CB, (T0339)R396.CB) [> 4.0027 = 6.6712 < 8.6726] w=0.7266 to align # Constraint # added constraint: constraint((T0339)A168.CB, (T0339)A209.CB) [> 3.4020 = 5.6700 < 7.3710] w=0.7237 to align # Constraint # added constraint: constraint((T0339)L306.CB, (T0339)C331.CB) [> 4.3266 = 7.2109 < 9.3742] w=0.7198 to align # Constraint # added constraint: constraint((T0339)T330.CB, (T0339)V390.CB) [> 4.3707 = 7.2844 < 9.4698] w=0.7197 to align # Constraint # added constraint: constraint((T0339)A50.CB, (T0339)L277.CB) [> 3.4414 = 5.7357 < 7.4565] w=0.7190 to align # Constraint # added constraint: constraint((T0339)T72.CB, (T0339)S119.CB) [> 3.0598 = 5.0996 < 6.6295] w=0.7176 to align # Constraint # added constraint: constraint((T0339)H316.CB, (T0339)F333.CB) [> 4.0537 = 6.7562 < 8.7830] w=0.7131 to align # Constraint # added constraint: constraint((T0339)A55.CB, (T0339)I65.CB) [> 3.0499 = 5.0831 < 6.6081] w=0.7119 to align # Constraint # added constraint: constraint((T0339)H117.CB, (T0339)N170.CB) [> 3.4247 = 5.7079 < 7.4202] w=0.7042 to align # Constraint # added constraint: constraint((T0339)S113.CB, (T0339)T147.CB) [> 3.4961 = 5.8268 < 7.5749] w=0.6996 to align # Constraint # added constraint: constraint((T0339)Q208.CB, (T0339)K231.CB) [> 3.7735 = 6.2892 < 8.1759] w=0.6984 to align # Constraint # added constraint: constraint((T0339)N329.CB, (T0339)G391.CA) [> 3.5390 = 5.8983 < 7.6678] w=0.6969 to align # Constraint # added constraint: constraint((T0339)M22.CB, (T0339)G276.CA) [> 3.2773 = 5.4622 < 7.1009] w=0.6952 to align # Constraint # added constraint: constraint((T0339)R299.CB, (T0339)N329.CB) [> 3.8006 = 6.3344 < 8.2347] w=0.6926 to align # Constraint # added constraint: constraint((T0339)P139.CB, (T0339)D151.CB) [> 3.6214 = 6.0356 < 7.8463] w=0.6918 to align # Constraint # added constraint: constraint((T0339)Q208.CB, (T0339)P328.CB) [> 3.6442 = 6.0737 < 7.8958] w=0.6918 to align # Constraint # added constraint: constraint((T0339)N170.CB, (T0339)T330.CB) [> 4.0499 = 6.7499 < 8.7749] w=0.6907 to align # Constraint # added constraint: constraint((T0339)S113.CB, (T0339)T164.CB) [> 4.3441 = 7.2402 < 9.4123] w=0.6872 to align # Constraint # added constraint: constraint((T0339)H316.CB, (T0339)S334.CB) [> 2.7658 = 4.6097 < 5.9925] w=0.6871 to align # Constraint # added constraint: constraint((T0339)C331.CB, (T0339)V390.CB) [> 3.9983 = 6.6639 < 8.6631] w=0.6846 to align # Constraint # added constraint: constraint((T0339)M22.CB, (T0339)P272.CB) [> 3.2525 = 5.4208 < 7.0470] w=0.6818 to align # Constraint # added constraint: constraint((T0339)I46.CB, (T0339)I274.CB) [> 3.2692 = 5.4487 < 7.0833] w=0.6813 to align # Constraint # added constraint: constraint((T0339)P108.CB, (T0339)R161.CB) [> 3.0496 = 5.0827 < 6.6076] w=0.6801 to align # Constraint # added constraint: constraint((T0339)R305.CB, (T0339)V399.CB) [> 4.1150 = 6.8584 < 8.9159] w=0.6796 to align # Constraint # added constraint: constraint((T0339)T112.CB, (T0339)R121.CB) [> 3.9574 = 6.5956 < 8.5743] w=0.6788 to align # Constraint # added constraint: constraint((T0339)E116.CB, (T0339)T164.CB) [> 4.2200 = 7.0332 < 9.1432] w=0.6775 to align # Constraint # added constraint: constraint((T0339)D64.CB, (T0339)R243.CB) [> 4.0015 = 6.6692 < 8.6700] w=0.6742 to align # Constraint # added constraint: constraint((T0339)I185.CB, (T0339)I200.CB) [> 2.7682 = 4.6137 < 5.9978] w=0.6734 to align # Constraint # added constraint: constraint((T0339)G70.CA, (T0339)G229.CA) [> 4.5080 = 7.5134 < 9.7674] w=0.6707 to align # Constraint # added constraint: constraint((T0339)T204.CB, (T0339)V222.CB) [> 3.1449 = 5.2415 < 6.8139] w=0.6699 to align # Constraint # added constraint: constraint((T0339)G145.CA, (T0339)I174.CB) [> 3.6285 = 6.0476 < 7.8618] w=0.6661 to align # Constraint # added constraint: constraint((T0339)V138.CB, (T0339)T147.CB) [> 3.8210 = 6.3683 < 8.2787] w=0.6661 to align # Constraint # added constraint: constraint((T0339)H117.CB, (T0339)D205.CB) [> 4.0452 = 6.7421 < 8.7647] w=0.6641 to align # Constraint # added constraint: constraint((T0339)M295.CB, (T0339)G391.CA) [> 3.5382 = 5.8970 < 7.6662] w=0.6628 to align # Constraint # added constraint: constraint((T0339)E171.CB, (T0339)N332.CB) [> 3.5103 = 5.8505 < 7.6056] w=0.6621 to align # Constraint # added constraint: constraint((T0339)G211.CA, (T0339)E292.CB) [> 3.8452 = 6.4086 < 8.3312] w=0.6596 to align # Constraint # added constraint: constraint((T0339)V115.CB, (T0339)E171.CB) [> 3.6691 = 6.1152 < 7.9498] w=0.6586 to align # Constraint # added constraint: constraint((T0339)V178.CB, (T0339)T204.CB) [> 3.8611 = 6.4351 < 8.3657] w=0.6564 to align # Constraint # added constraint: constraint((T0339)C331.CB, (T0339)S389.CB) [> 4.5590 = 7.5984 < 9.8779] w=0.6549 to align # Constraint # added constraint: constraint((T0339)L54.CB, (T0339)Y241.CB) [> 3.7664 = 6.2774 < 8.1606] w=0.6517 to align # Constraint # added constraint: constraint((T0339)V149.CB, (T0339)I181.CB) [> 3.9491 = 6.5818 < 8.5564] w=0.6509 to align # Constraint # added constraint: constraint((T0339)I120.CB, (T0339)T164.CB) [> 3.5658 = 5.9430 < 7.7259] w=0.6507 to align # Constraint # added constraint: constraint((T0339)E309.CB, (T0339)L406.CB) [> 3.7302 = 6.2170 < 8.0821] w=0.6502 to align # Constraint # added constraint: constraint((T0339)V298.CB, (T0339)G391.CA) [> 3.8094 = 6.3489 < 8.2536] w=0.6488 to align # Constraint # added constraint: constraint((T0339)N169.CB, (T0339)Q208.CB) [> 4.4512 = 7.4186 < 9.6442] w=0.6463 to align # Constraint # added constraint: constraint((T0339)V298.CB, (T0339)T394.CB) [> 3.5406 = 5.9010 < 7.6713] w=0.6457 to align # Constraint # added constraint: constraint((T0339)L302.CB, (T0339)V402.CB) [> 4.3248 = 7.2080 < 9.3705] w=0.6435 to align # Constraint # added constraint: constraint((T0339)M6.CB, (T0339)S389.CB) [> 3.4564 = 5.7607 < 7.4889] w=0.6415 to align # Constraint # added constraint: constraint((T0339)L317.CB, (T0339)F333.CB) [> 3.2382 = 5.3970 < 7.0161] w=0.6403 to align # Constraint # added constraint: constraint((T0339)I152.CB, (T0339)V163.CB) [> 4.2491 = 7.0818 < 9.2063] w=0.6400 to align # Constraint # added constraint: constraint((T0339)N189.CB, (T0339)I200.CB) [> 3.0828 = 5.1379 < 6.6793] w=0.6399 to align # Constraint # added constraint: constraint((T0339)G173.CA, (T0339)Q208.CB) [> 4.3880 = 7.3134 < 9.5074] w=0.6387 to align # Constraint # added constraint: constraint((T0339)R51.CB, (T0339)F67.CB) [> 3.7550 = 6.2583 < 8.1358] w=0.6382 to align # Constraint # added constraint: constraint((T0339)L306.CB, (T0339)I315.CB) [> 2.9502 = 4.9171 < 6.3922] w=0.6330 to align # Constraint # added constraint: constraint((T0339)G229.CA, (T0339)A280.CB) [> 4.1035 = 6.8391 < 8.8909] w=0.6302 to align # Constraint # added constraint: constraint((T0339)N170.CB, (T0339)A207.CB) [> 4.3384 = 7.2307 < 9.4000] w=0.6258 to align # Constraint # added constraint: constraint((T0339)L54.CB, (T0339)A281.CB) [> 3.9179 = 6.5298 < 8.4887] w=0.6242 to align # Constraint # added constraint: constraint((T0339)P108.CB, (T0339)A133.CB) [> 3.1060 = 5.1767 < 6.7297] w=0.6198 to align # Constraint # added constraint: constraint((T0339)P108.CB, (T0339)A134.CB) [> 4.0814 = 6.8023 < 8.8430] w=0.6198 to align # Constraint # added constraint: constraint((T0339)R236.CB, (T0339)M273.CB) [> 3.5299 = 5.8832 < 7.6481] w=0.6197 to align # Constraint # added constraint: constraint((T0339)V156.CB, (T0339)L188.CB) [> 3.4606 = 5.7677 < 7.4980] w=0.6192 to align # Constraint # added constraint: constraint((T0339)M6.CB, (T0339)V402.CB) [> 3.8450 = 6.4083 < 8.3308] w=0.6148 to align # Constraint # added constraint: constraint((T0339)I335.CB, (T0339)A385.CB) [> 3.9311 = 6.5519 < 8.5174] w=0.6144 to align # Constraint # added constraint: constraint((T0339)G342.CA, (T0339)L386.CB) [> 3.6631 = 6.1051 < 7.9366] w=0.6135 to align # Constraint # added constraint: constraint((T0339)L317.CB, (T0339)C331.CB) [> 3.7617 = 6.2696 < 8.1504] w=0.6133 to align # Constraint # added constraint: constraint((T0339)L317.CB, (T0339)N332.CB) [> 4.2332 = 7.0553 < 9.1719] w=0.6133 to align # Constraint # added constraint: constraint((T0339)V345.CB, (T0339)L386.CB) [> 3.8187 = 6.3644 < 8.2738] w=0.6130 to align # Constraint # added constraint: constraint((T0339)D7.CB, (T0339)S389.CB) [> 3.7496 = 6.2493 < 8.1240] w=0.6119 to align # Constraint # added constraint: constraint((T0339)V178.CB, (T0339)V222.CB) [> 4.1178 = 6.8629 < 8.9218] w=0.6096 to align # Constraint # added constraint: constraint((T0339)G229.CA, (T0339)A239.CB) [> 4.1040 = 6.8400 < 8.8919] w=0.6096 to align # Constraint # added constraint: constraint((T0339)S74.CB, (T0339)V228.CB) [> 4.5163 = 7.5272 < 9.7854] w=0.6086 to align # Constraint # added constraint: constraint((T0339)I152.CB, (T0339)R184.CB) [> 3.6374 = 6.0623 < 7.8809] w=0.6063 to align # Constraint # added constraint: constraint((T0339)I335.CB, (T0339)V345.CB) [> 3.5396 = 5.8994 < 7.6692] w=0.6063 to align # Constraint # added constraint: constraint((T0339)G357.CA, (T0339)R387.CB) [> 3.5342 = 5.8904 < 7.6575] w=0.6055 to align # Constraint # added constraint: constraint((T0339)I66.CB, (T0339)L77.CB) [> 4.3632 = 7.2720 < 9.4536] w=0.6045 to align # Constraint # added constraint: constraint((T0339)M57.CB, (T0339)A281.CB) [> 3.6907 = 6.1512 < 7.9965] w=0.6041 to align # Constraint # added constraint: constraint((T0339)Y5.CB, (T0339)M353.CB) [> 3.0339 = 5.0564 < 6.5734] w=0.6033 to align # Constraint # added constraint: constraint((T0339)M6.CB, (T0339)M353.CB) [> 3.5750 = 5.9584 < 7.7459] w=0.6033 to align # Constraint # added constraint: constraint((T0339)G234.CA, (T0339)A280.CB) [> 3.2387 = 5.3979 < 7.0173] w=0.6029 to align # Constraint # added constraint: constraint((T0339)M6.CB, (T0339)L388.CB) [> 2.8311 = 4.7184 < 6.1340] w=0.6013 to align # Constraint # added constraint: constraint((T0339)L153.CB, (T0339)R184.CB) [> 3.4510 = 5.7516 < 7.4771] w=0.5996 to align # Constraint # added constraint: constraint((T0339)S113.CB, (T0339)P139.CB) [> 4.4178 = 7.3629 < 9.5718] w=0.5969 to align # Constraint # added constraint: constraint((T0339)A168.CB, (T0339)P328.CB) [> 3.3040 = 5.5067 < 7.1587] w=0.5969 to align # Constraint # added constraint: constraint((T0339)I120.CB, (T0339)D205.CB) [> 3.8062 = 6.3436 < 8.2467] w=0.5961 to align # Constraint # added constraint: constraint((T0339)I111.CB, (T0339)V135.CB) [> 4.5439 = 7.5732 < 9.8452] w=0.5959 to align # Constraint # added constraint: constraint((T0339)T136.CB, (T0339)T160.CB) [> 4.2836 = 7.1394 < 9.2812] w=0.5943 to align # Constraint # added constraint: constraint((T0339)V228.CB, (T0339)A239.CB) [> 4.3607 = 7.2679 < 9.4482] w=0.5924 to align # Constraint # added constraint: constraint((T0339)L14.CB, (T0339)G234.CA) [> 3.4190 = 5.6984 < 7.4079] w=0.5921 to align # Constraint # added constraint: constraint((T0339)H80.CB, (T0339)L127.CB) [> 3.6978 = 6.1630 < 8.0118] w=0.5916 to align # Constraint # added constraint: constraint((T0339)Q208.CB, (T0339)T330.CB) [> 4.1327 = 6.8879 < 8.9543] w=0.5914 to align # Constraint # added constraint: constraint((T0339)G71.CA, (T0339)A239.CB) [> 4.4459 = 7.4098 < 9.6328] w=0.5911 to align # Constraint # added constraint: constraint((T0339)M6.CB, (T0339)L352.CB) [> 3.7951 = 6.3251 < 8.2226] w=0.5899 to align # Constraint # added constraint: constraint((T0339)G60.CA, (T0339)V217.CB) [> 3.3405 = 5.5676 < 7.2378] w=0.5898 to align # Constraint # added constraint: constraint((T0339)M22.CB, (T0339)A275.CB) [> 3.8082 = 6.3470 < 8.2512] w=0.5881 to align # Constraint # added constraint: constraint((T0339)D64.CB, (T0339)G244.CA) [> 3.5590 = 5.9317 < 7.7112] w=0.5859 to align # Constraint # added constraint: constraint((T0339)E15.CB, (T0339)L283.CB) [> 3.8018 = 6.3363 < 8.2372] w=0.5854 to align # Constraint # added constraint: constraint((T0339)T12.CB, (T0339)G391.CA) [> 3.9041 = 6.5069 < 8.4589] w=0.5853 to align # Constraint # added constraint: constraint((T0339)F224.CB, (T0339)R243.CB) [> 4.3120 = 7.1867 < 9.3428] w=0.5819 to align # Constraint # added constraint: constraint((T0339)T164.CB, (T0339)V202.CB) [> 4.5194 = 7.5324 < 9.7921] w=0.5818 to align # Constraint # added constraint: constraint((T0339)I237.CB, (T0339)N270.CB) [> 3.8984 = 6.4974 < 8.4466] w=0.5808 to align # Constraint # added constraint: constraint((T0339)N75.CB, (T0339)S119.CB) [> 3.5478 = 5.9131 < 7.6870] w=0.5768 to align # Constraint # added constraint: constraint((T0339)M6.CB, (T0339)A354.CB) [> 3.1767 = 5.2944 < 6.8828] w=0.5679 to align # Constraint # added constraint: constraint((T0339)T112.CB, (T0339)I165.CB) [> 4.3142 = 7.1904 < 9.3475] w=0.5676 to align # Constraint # added constraint: constraint((T0339)M6.CB, (T0339)V390.CB) [> 4.3996 = 7.3327 < 9.5325] w=0.5672 to align # Constraint # added constraint: constraint((T0339)G173.CA, (T0339)C331.CB) [> 4.3360 = 7.2267 < 9.3947] w=0.5662 to align # Constraint # added constraint: constraint((T0339)H203.CB, (T0339)V222.CB) [> 4.2049 = 7.0081 < 9.1105] w=0.5626 to align # Constraint # added constraint: constraint((T0339)G357.CA, (T0339)A385.CB) [> 3.3384 = 5.5641 < 7.2333] w=0.5606 to align # Constraint # added constraint: constraint((T0339)E303.CB, (T0339)L317.CB) [> 3.5912 = 5.9854 < 7.7810] w=0.5600 to align # Constraint # added constraint: constraint((T0339)I185.CB, (T0339)L201.CB) [> 4.2033 = 7.0055 < 9.1072] w=0.5595 to align # Constraint # added constraint: constraint((T0339)I227.CB, (T0339)L240.CB) [> 4.4023 = 7.3371 < 9.5383] w=0.5589 to align # Constraint # added constraint: constraint((T0339)D7.CB, (T0339)M353.CB) [> 2.9920 = 4.9867 < 6.4827] w=0.5583 to align # Constraint # added constraint: constraint((T0339)V138.CB, (T0339)E148.CB) [> 3.9892 = 6.6486 < 8.6432] w=0.5565 to align # Constraint # added constraint: constraint((T0339)M22.CB, (T0339)M273.CB) [> 4.1521 = 6.9202 < 8.9962] w=0.5544 to align # Constraint # added constraint: constraint((T0339)I66.CB, (T0339)I242.CB) [> 4.3134 = 7.1891 < 9.3458] w=0.5529 to align # Constraint # added constraint: constraint((T0339)I66.CB, (T0339)Y241.CB) [> 4.5589 = 7.5982 < 9.8777] w=0.5517 to align # Constraint # added constraint: constraint((T0339)I165.CB, (T0339)V178.CB) [> 4.1301 = 6.8834 < 8.9485] w=0.5482 to align # Constraint # added constraint: constraint((T0339)V4.CB, (T0339)M353.CB) [> 4.0737 = 6.7895 < 8.8264] w=0.5477 to align # Constraint # added constraint: constraint((T0339)D7.CB, (T0339)A354.CB) [> 3.5332 = 5.8887 < 7.6553] w=0.5449 to align # Constraint # added constraint: constraint((T0339)G145.CA, (T0339)T172.CB) [> 3.7309 = 6.2182 < 8.0836] w=0.5445 to align # Constraint # added constraint: constraint((T0339)A55.CB, (T0339)D64.CB) [> 3.9370 = 6.5617 < 8.5303] w=0.5444 to align # Constraint # added constraint: constraint((T0339)V356.CB, (T0339)R387.CB) [> 4.3556 = 7.2593 < 9.4371] w=0.5433 to align # Constraint # added constraint: constraint((T0339)R305.CB, (T0339)D400.CB) [> 4.1761 = 6.9601 < 9.0482] w=0.5391 to align # Constraint # added constraint: constraint((T0339)G342.CA, (T0339)N384.CB) [> 3.7061 = 6.1769 < 8.0300] w=0.5389 to align # Constraint # added constraint: constraint((T0339)G357.CA, (T0339)L386.CB) [> 3.8447 = 6.4078 < 8.3301] w=0.5389 to align # Constraint # added constraint: constraint((T0339)V18.CB, (T0339)G234.CA) [> 3.8981 = 6.4968 < 8.4459] w=0.5371 to align # Constraint # added constraint: constraint((T0339)T172.CB, (T0339)T330.CB) [> 4.1942 = 6.9904 < 9.0875] w=0.5344 to align # Constraint # added constraint: constraint((T0339)V4.CB, (T0339)V402.CB) [> 3.4430 = 5.7383 < 7.4598] w=0.5343 to align # Constraint # added constraint: constraint((T0339)S81.CB, (T0339)T249.CB) [> 3.1447 = 5.2411 < 6.8135] w=0.5330 to align # Constraint # added constraint: constraint((T0339)G173.CA, (T0339)L327.CB) [> 3.1943 = 5.3238 < 6.9210] w=0.5307 to align # Constraint # added constraint: constraint((T0339)A10.CB, (T0339)S389.CB) [> 4.2910 = 7.1517 < 9.2972] w=0.5303 to align # Constraint # added constraint: constraint((T0339)M166.CB, (T0339)A207.CB) [> 4.3914 = 7.3191 < 9.5148] w=0.5293 to align # Constraint # added constraint: constraint((T0339)P235.CB, (T0339)M273.CB) [> 3.5049 = 5.8416 < 7.5940] w=0.5277 to align # Constraint # added constraint: constraint((T0339)H343.CB, (T0339)V356.CB) [> 3.4096 = 5.6826 < 7.3874] w=0.5271 to align # Constraint # added constraint: constraint((T0339)V82.CB, (T0339)F224.CB) [> 4.2134 = 7.0223 < 9.1290] w=0.5237 to align # Constraint # added constraint: constraint((T0339)L210.CB, (T0339)I227.CB) [> 3.2296 = 5.3827 < 6.9975] w=0.5216 to align # Constraint # added constraint: constraint((T0339)C349.CB, (T0339)A409.CB) [> 3.7075 = 6.1792 < 8.0330] w=0.5205 to align # Constraint # added constraint: constraint((T0339)T147.CB, (T0339)M176.CB) [> 3.8173 = 6.3622 < 8.2709] w=0.5187 to align # Constraint # added constraint: constraint((T0339)D7.CB, (T0339)S355.CB) [> 3.1067 = 5.1778 < 6.7311] w=0.5181 to align # Constraint # added constraint: constraint((T0339)V4.CB, (T0339)E398.CB) [> 3.1482 = 5.2470 < 6.8211] w=0.5181 to align # Constraint # added constraint: constraint((T0339)S53.CB, (T0339)E282.CB) [> 3.8954 = 6.4923 < 8.4400] w=0.5170 to align # Constraint # added constraint: constraint((T0339)L14.CB, (T0339)Y233.CB) [> 3.6724 = 6.1207 < 7.9569] w=0.5161 to align # Constraint # added constraint: constraint((T0339)I174.CB, (T0339)R326.CB) [> 3.8929 = 6.4881 < 8.4346] w=0.5153 to align # Constraint # added constraint: constraint((T0339)M166.CB, (T0339)M176.CB) [> 3.9694 = 6.6156 < 8.6003] w=0.5149 to align # Constraint # added constraint: constraint((T0339)V356.CB, (T0339)A385.CB) [> 4.3794 = 7.2990 < 9.4887] w=0.5117 to align # Constraint # added constraint: constraint((T0339)N318.CB, (T0339)F333.CB) [> 4.0002 = 6.6670 < 8.6671] w=0.5116 to align # Constraint # added constraint: constraint((T0339)A25.CB, (T0339)A275.CB) [> 2.7673 = 4.6122 < 5.9958] w=0.5114 to align # Constraint # added constraint: constraint((T0339)M26.CB, (T0339)P272.CB) [> 3.2952 = 5.4921 < 7.1397] w=0.5114 to align # Constraint # added constraint: constraint((T0339)I237.CB, (T0339)E269.CB) [> 3.5773 = 5.9622 < 7.7508] w=0.5109 to align # Constraint # added constraint: constraint((T0339)L210.CB, (T0339)F232.CB) [> 3.4879 = 5.8131 < 7.5570] w=0.5084 to align # Constraint # added constraint: constraint((T0339)A43.CB, (T0339)T271.CB) [> 3.5312 = 5.8854 < 7.6510] w=0.5074 to align # Constraint # added constraint: constraint((T0339)N318.CB, (T0339)S334.CB) [> 3.9973 = 6.6621 < 8.6608] w=0.5049 to align # Constraint # added constraint: constraint((T0339)V4.CB, (T0339)L401.CB) [> 3.5529 = 5.9215 < 7.6979] w=0.5047 to align # Constraint # added constraint: constraint((T0339)M166.CB, (T0339)Q208.CB) [> 4.2698 = 7.1163 < 9.2512] w=0.5034 to align # Constraint # added constraint: constraint((T0339)V4.CB, (T0339)L352.CB) [> 3.0676 = 5.1127 < 6.6466] w=0.5027 to align # Constraint # added constraint: constraint((T0339)Y291.CB, (T0339)R392.CB) [> 3.0870 = 5.1449 < 6.6884] w=0.5020 to align # Constraint # added constraint: constraint((T0339)G342.CA, (T0339)V356.CB) [> 3.5290 = 5.8817 < 7.6462] w=0.5008 to align # Constraint # added constraint: constraint((T0339)A168.CB, (T0339)A206.CB) [> 4.3801 = 7.3001 < 9.4901] w=0.4979 to align # Constraint # added constraint: constraint((T0339)Y233.CB, (T0339)V284.CB) [> 3.8700 = 6.4499 < 8.3849] w=0.4972 to align # Constraint # added constraint: constraint((T0339)A168.CB, (T0339)K212.CB) [> 4.0220 = 6.7034 < 8.7144] w=0.4970 to align # Constraint # added constraint: constraint((T0339)P108.CB, (T0339)T159.CB) [> 3.6854 = 6.1423 < 7.9850] w=0.4963 to align # Constraint # added constraint: constraint((T0339)E309.CB, (T0339)V403.CB) [> 4.0872 = 6.8120 < 8.8555] w=0.4959 to align # Constraint # added constraint: constraint((T0339)A50.CB, (T0339)I65.CB) [> 4.0015 = 6.6692 < 8.6700] w=0.4928 to align # Constraint # added constraint: constraint((T0339)G70.CA, (T0339)R236.CB) [> 3.7696 = 6.2826 < 8.1674] w=0.4926 to align # Constraint # added constraint: constraint((T0339)L14.CB, (T0339)P235.CB) [> 3.5895 = 5.9825 < 7.7772] w=0.4921 to align # Constraint # added constraint: constraint((T0339)V18.CB, (T0339)P235.CB) [> 4.0065 = 6.6774 < 8.6807] w=0.4915 to align # Constraint # added constraint: constraint((T0339)G211.CA, (T0339)Y291.CB) [> 4.0841 = 6.8069 < 8.8489] w=0.4905 to align # Constraint # added constraint: constraint((T0339)V18.CB, (T0339)L283.CB) [> 4.1975 = 6.9959 < 9.0946] w=0.4902 to align # Constraint # added constraint: constraint((T0339)C349.CB, (T0339)D405.CB) [> 3.7827 = 6.3046 < 8.1959] w=0.4900 to align # Constraint # added constraint: constraint((T0339)A25.CB, (T0339)P272.CB) [> 2.7973 = 4.6622 < 6.0609] w=0.4846 to align # Constraint # added constraint: constraint((T0339)M166.CB, (T0339)A206.CB) [> 4.5484 = 7.5807 < 9.8549] w=0.4845 to align # Constraint # added constraint: constraint((T0339)Q146.CB, (T0339)M176.CB) [> 3.7151 = 6.1919 < 8.0494] w=0.4843 to align # Constraint # added constraint: constraint((T0339)V202.CB, (T0339)G221.CA) [> 4.0650 = 6.7750 < 8.8075] w=0.4841 to align # Constraint # added constraint: constraint((T0339)G211.CA, (T0339)C288.CB) [> 4.0496 = 6.7493 < 8.7741] w=0.4840 to align # Constraint # added constraint: constraint((T0339)T72.CB, (T0339)P123.CB) [> 4.0166 = 6.6943 < 8.7025] w=0.4814 to align # Constraint # added constraint: constraint((T0339)I79.CB, (T0339)T164.CB) [> 4.3775 = 7.2958 < 9.4845] w=0.4806 to align # Constraint # added constraint: constraint((T0339)L124.CB, (T0339)A133.CB) [> 3.1774 = 5.2957 < 6.8844] w=0.4805 to align # Constraint # added constraint: constraint((T0339)Q348.CB, (T0339)A409.CB) [> 2.9998 = 4.9996 < 6.4995] w=0.4793 to align # Constraint # added constraint: constraint((T0339)R51.CB, (T0339)P62.CB) [> 2.9590 = 4.9317 < 6.4112] w=0.4777 to align # Constraint # added constraint: constraint((T0339)T172.CB, (T0339)N318.CB) [> 3.6817 = 6.1362 < 7.9771] w=0.4772 to align # Constraint # added constraint: constraint((T0339)I120.CB, (T0339)M166.CB) [> 4.1932 = 6.9887 < 9.0853] w=0.4767 to align # Constraint # added constraint: constraint((T0339)D205.CB, (T0339)L225.CB) [> 4.5980 = 7.6633 < 9.9623] w=0.4753 to align # Constraint # added constraint: constraint((T0339)L306.CB, (T0339)L317.CB) [> 3.5819 = 5.9699 < 7.7608] w=0.4733 to align # Constraint # added constraint: constraint((T0339)G105.CA, (T0339)A133.CB) [> 3.8001 = 6.3335 < 8.2336] w=0.4723 to align # Constraint # added constraint: constraint((T0339)I111.CB, (T0339)I200.CB) [> 4.5615 = 7.6025 < 9.8833] w=0.4719 to align # Constraint # added constraint: constraint((T0339)V175.CB, (T0339)L327.CB) [> 3.4587 = 5.7645 < 7.4939] w=0.4704 to align # Constraint # added constraint: constraint((T0339)A209.CB, (T0339)I227.CB) [> 4.2934 = 7.1557 < 9.3024] w=0.4702 to align # Constraint # added constraint: constraint((T0339)F232.CB, (T0339)A280.CB) [> 3.3905 = 5.6508 < 7.3461] w=0.4670 to align # Constraint # added constraint: constraint((T0339)L317.CB, (T0339)S334.CB) [> 4.1303 = 6.8838 < 8.9489] w=0.4660 to align # Constraint # added constraint: constraint((T0339)G70.CA, (T0339)H230.CB) [> 4.0187 = 6.6978 < 8.7071] w=0.4628 to align # Constraint # added constraint: constraint((T0339)L388.CB, (T0339)V402.CB) [> 4.2138 = 7.0229 < 9.1298] w=0.4620 to align # Constraint # added constraint: constraint((T0339)L188.CB, (T0339)I200.CB) [> 3.5894 = 5.9824 < 7.7771] w=0.4615 to align # Constraint # added constraint: constraint((T0339)M57.CB, (T0339)T285.CB) [> 3.9334 = 6.5557 < 8.5224] w=0.4566 to align # Constraint # added constraint: constraint((T0339)I315.CB, (T0339)I335.CB) [> 3.6297 = 6.0495 < 7.8644] w=0.4565 to align # Constraint # added constraint: constraint((T0339)V149.CB, (T0339)P177.CB) [> 4.0089 = 6.6815 < 8.6860] w=0.4554 to align # Constraint # added constraint: constraint((T0339)S69.CB, (T0339)N270.CB) [> 4.2253 = 7.0422 < 9.1548] w=0.4554 to align # Constraint # added constraint: constraint((T0339)T68.CB, (T0339)E269.CB) [> 3.9200 = 6.5333 < 8.4932] w=0.4553 to align # Constraint # added constraint: constraint((T0339)S81.CB, (T0339)Y252.CB) [> 3.5930 = 5.9884 < 7.7849] w=0.4521 to align # Constraint # added constraint: constraint((T0339)A25.CB, (T0339)T271.CB) [> 3.9671 = 6.6118 < 8.5954] w=0.4511 to align # Constraint # added constraint: constraint((T0339)A106.CB, (T0339)A133.CB) [> 4.2971 = 7.1618 < 9.3103] w=0.4508 to align # Constraint # added constraint: constraint((T0339)L167.CB, (T0339)A209.CB) [> 2.8283 = 4.7138 < 6.1280] w=0.4491 to align # Constraint # added constraint: constraint((T0339)P235.CB, (T0339)L277.CB) [> 3.7401 = 6.2335 < 8.1036] w=0.4446 to align # Constraint # added constraint: constraint((T0339)L124.CB, (T0339)T164.CB) [> 3.9736 = 6.6226 < 8.6094] w=0.4443 to align # Constraint # added constraint: constraint((T0339)S81.CB, (T0339)P253.CB) [> 3.5317 = 5.8862 < 7.6520] w=0.4438 to align # Constraint # added constraint: constraint((T0339)N9.CB, (T0339)Q208.CB) [> 3.9791 = 6.6318 < 8.6214] w=0.4433 to align # Constraint # added constraint: constraint((T0339)A134.CB, (T0339)T159.CB) [> 4.4316 = 7.3860 < 9.6017] w=0.4428 to align # Constraint # added constraint: constraint((T0339)Q208.CB, (T0339)N329.CB) [> 4.0489 = 6.7482 < 8.7727] w=0.4402 to align # Constraint # added constraint: constraint((T0339)C349.CB, (T0339)L406.CB) [> 4.2696 = 7.1161 < 9.2509] w=0.4395 to align # Constraint # added constraint: constraint((T0339)A10.CB, (T0339)K231.CB) [> 3.7379 = 6.2298 < 8.0988] w=0.4386 to align # Constraint # added constraint: constraint((T0339)N9.CB, (T0339)N170.CB) [> 3.7104 = 6.1840 < 8.0393] w=0.4376 to align # Constraint # added constraint: constraint((T0339)L77.CB, (T0339)M254.CB) [> 3.1593 = 5.2655 < 6.8451] w=0.4374 to align # Constraint # added constraint: constraint((T0339)T147.CB, (T0339)I165.CB) [> 4.2257 = 7.0429 < 9.1557] w=0.4374 to align # Constraint # added constraint: constraint((T0339)K107.CB, (T0339)T159.CB) [> 3.7604 = 6.2674 < 8.1476] w=0.4370 to align # Constraint # added constraint: constraint((T0339)P235.CB, (T0339)G276.CA) [> 3.7498 = 6.2497 < 8.1246] w=0.4365 to align # Constraint # added constraint: constraint((T0339)A168.CB, (T0339)L327.CB) [> 3.0251 = 5.0418 < 6.5544] w=0.4356 to align # Constraint # added constraint: constraint((T0339)V115.CB, (T0339)M166.CB) [> 4.1579 = 6.9299 < 9.0089] w=0.4277 to align # Constraint # added constraint: constraint((T0339)L210.CB, (T0339)C288.CB) [> 3.6539 = 6.0898 < 7.9167] w=0.4263 to align # Constraint # added constraint: constraint((T0339)G59.CA, (T0339)E218.CB) [> 3.3643 = 5.6071 < 7.2893] w=0.4229 to align # Constraint # added constraint: constraint((T0339)E171.CB, (T0339)A385.CB) [> 4.2942 = 7.1570 < 9.3041] w=0.4228 to align # Constraint # added constraint: constraint((T0339)P235.CB, (T0339)A280.CB) [> 3.7230 = 6.2050 < 8.0665] w=0.4227 to align # Constraint # added constraint: constraint((T0339)H109.CB, (T0339)L162.CB) [> 4.5540 = 7.5899 < 9.8669] w=0.4210 to align # Constraint # added constraint: constraint((T0339)V156.CB, (T0339)I185.CB) [> 4.1196 = 6.8659 < 8.9257] w=0.4173 to align # Constraint # added constraint: constraint((T0339)G71.CA, (T0339)L240.CB) [> 4.6242 = 7.7069 < 10.0190] w=0.4172 to align # Constraint # added constraint: constraint((T0339)A207.CB, (T0339)G229.CA) [> 4.3764 = 7.2940 < 9.4822] w=0.4172 to align # Constraint # added constraint: constraint((T0339)M6.CB, (T0339)T394.CB) [> 4.3962 = 7.3271 < 9.5252] w=0.4169 to align # Constraint # added constraint: constraint((T0339)S69.CB, (T0339)R236.CB) [> 3.3195 = 5.5326 < 7.1923] w=0.4161 to align # Constraint # added constraint: constraint((T0339)A106.CB, (T0339)V132.CB) [> 2.4837 = 4.1394 < 5.3813] w=0.4158 to align # Constraint # added constraint: constraint((T0339)E116.CB, (T0339)D205.CB) [> 4.2284 = 7.0474 < 9.1616] w=0.4144 to align # Constraint # added constraint: constraint((T0339)E171.CB, (T0339)T330.CB) [> 3.6556 = 6.0928 < 7.9206] w=0.4121 to align # Constraint # added constraint: constraint((T0339)T11.CB, (T0339)K231.CB) [> 4.0224 = 6.7041 < 8.7153] w=0.4118 to align # Constraint # added constraint: constraint((T0339)D7.CB, (T0339)R387.CB) [> 4.5344 = 7.5573 < 9.8245] w=0.4108 to align # Constraint # added constraint: constraint((T0339)G60.CA, (T0339)R243.CB) [> 3.9811 = 6.6352 < 8.6257] w=0.4086 to align # Constraint # added constraint: constraint((T0339)S334.CB, (T0339)L386.CB) [> 4.3213 = 7.2021 < 9.3627] w=0.4076 to align # Constraint # added constraint: constraint((T0339)H316.CB, (T0339)R336.CB) [> 4.0853 = 6.8089 < 8.8516] w=0.4043 to align # Constraint # added constraint: constraint((T0339)V78.CB, (T0339)I242.CB) [> 4.4466 = 7.4110 < 9.6343] w=0.4041 to align # Constraint # added constraint: constraint((T0339)E116.CB, (T0339)I165.CB) [> 4.4574 = 7.4290 < 9.6578] w=0.4019 to align # Constraint # added constraint: constraint((T0339)G211.CA, (T0339)V284.CB) [> 3.6854 = 6.1423 < 7.9850] w=0.4017 to align # Constraint # added constraint: constraint((T0339)M57.CB, (T0339)L210.CB) [> 4.1972 = 6.9953 < 9.0939] w=0.4009 to align # Constraint # added constraint: constraint((T0339)V222.CB, (T0339)R243.CB) [> 4.3006 = 7.1676 < 9.3179] w=0.4009 to align # Constraint # added constraint: constraint((T0339)E307.CB, (T0339)L317.CB) [> 3.8150 = 6.3583 < 8.2658] w=0.3996 to align # Constraint # added constraint: constraint((T0339)L77.CB, (T0339)P253.CB) [> 3.3567 = 5.5946 < 7.2729] w=0.3991 to align # Constraint # added constraint: constraint((T0339)V140.CB, (T0339)T172.CB) [> 4.3739 = 7.2898 < 9.4768] w=0.3983 to align # Constraint # added constraint: constraint((T0339)A55.CB, (T0339)Y241.CB) [> 3.8326 = 6.3877 < 8.3040] w=0.3942 to align # Constraint # added constraint: constraint((T0339)G234.CA, (T0339)L277.CB) [> 3.8843 = 6.4738 < 8.4160] w=0.3912 to align # Constraint # added constraint: constraint((T0339)N9.CB, (T0339)R387.CB) [> 3.7641 = 6.2734 < 8.1554] w=0.3896 to align # Constraint # added constraint: constraint((T0339)G211.CA, (T0339)F232.CB) [> 3.2744 = 5.4573 < 7.0945] w=0.3886 to align # Constraint # added constraint: constraint((T0339)F333.CB, (T0339)R387.CB) [> 4.5769 = 7.6282 < 9.9167] w=0.3886 to align # Constraint # added constraint: constraint((T0339)V345.CB, (T0339)A409.CB) [> 3.6485 = 6.0808 < 7.9051] w=0.3879 to align # Constraint # added constraint: constraint((T0339)S355.CB, (T0339)S389.CB) [> 4.4456 = 7.4093 < 9.6320] w=0.3877 to align # Constraint # added constraint: constraint((T0339)G257.CA, (T0339)P266.CB) [> 3.1966 = 5.3276 < 6.9259] w=0.3863 to align # Constraint # added constraint: constraint((T0339)G342.CA, (T0339)A385.CB) [> 4.2021 = 7.0035 < 9.1046] w=0.3862 to align # Constraint # added constraint: constraint((T0339)K107.CB, (T0339)A133.CB) [> 4.4096 = 7.3494 < 9.5542] w=0.3854 to align # Constraint # added constraint: constraint((T0339)R121.CB, (T0339)V135.CB) [> 3.4247 = 5.7078 < 7.4201] w=0.3838 to align # Constraint # added constraint: constraint((T0339)Q63.CB, (T0339)G244.CA) [> 3.8439 = 6.4065 < 8.3284] w=0.3836 to align # Constraint # added constraint: constraint((T0339)A50.CB, (T0339)A275.CB) [> 4.2110 = 7.0183 < 9.1238] w=0.3830 to align # Constraint # added constraint: constraint((T0339)T12.CB, (T0339)K231.CB) [> 3.5722 = 5.9536 < 7.7397] w=0.3829 to align # Constraint # added constraint: constraint((T0339)G337.CA, (T0339)N384.CB) [> 3.5707 = 5.9512 < 7.7366] w=0.3824 to align # Constraint # added constraint: constraint((T0339)L54.CB, (T0339)I227.CB) [> 4.4622 = 7.4371 < 9.6682] w=0.3819 to align # Constraint # added constraint: constraint((T0339)S113.CB, (T0339)M176.CB) [> 4.3921 = 7.3201 < 9.5161] w=0.3808 to align # Constraint # added constraint: constraint((T0339)L352.CB, (T0339)L406.CB) [> 4.1471 = 6.9119 < 8.9854] w=0.3802 to align # Constraint # added constraint: constraint((T0339)H117.CB, (T0339)E171.CB) [> 3.8799 = 6.4665 < 8.4065] w=0.3801 to align # Constraint # added constraint: constraint((T0339)Q146.CB, (T0339)P177.CB) [> 4.0134 = 6.6890 < 8.6957] w=0.3770 to align # Constraint # added constraint: constraint((T0339)G221.CA, (T0339)R243.CB) [> 4.1455 = 6.9092 < 8.9820] w=0.3750 to align # Constraint # added constraint: constraint((T0339)H294.CB, (T0339)G391.CA) [> 4.2368 = 7.0613 < 9.1797] w=0.3745 to align # Constraint # added constraint: constraint((T0339)F232.CB, (T0339)V284.CB) [> 3.8917 = 6.4861 < 8.4320] w=0.3737 to align # Constraint # added constraint: constraint((T0339)L153.CB, (T0339)L188.CB) [> 3.6259 = 6.0431 < 7.8560] w=0.3735 to align # Constraint # added constraint: constraint((T0339)K107.CB, (T0339)A134.CB) [> 4.2085 = 7.0142 < 9.1185] w=0.3720 to align # Constraint # added constraint: constraint((T0339)I174.CB, (T0339)S319.CB) [> 3.6679 = 6.1131 < 7.9471] w=0.3713 to align # Constraint # added constraint: constraint((T0339)E171.CB, (T0339)G357.CA) [> 3.9691 = 6.6152 < 8.5998] w=0.3662 to align # Constraint # added constraint: constraint((T0339)V345.CB, (T0339)V356.CB) [> 4.3800 = 7.3000 < 9.4900] w=0.3661 to align # Constraint # added constraint: constraint((T0339)V175.CB, (T0339)P328.CB) [> 4.1120 = 6.8533 < 8.9093] w=0.3661 to align # Constraint # added constraint: constraint((T0339)Q213.CB, (T0339)P328.CB) [> 3.9304 = 6.5507 < 8.5158] w=0.3654 to align # Constraint # added constraint: constraint((T0339)G173.CA, (T0339)N318.CB) [> 4.2964 = 7.1606 < 9.3088] w=0.3644 to align # Constraint # added constraint: constraint((T0339)L210.CB, (T0339)K231.CB) [> 4.4199 = 7.3665 < 9.5765] w=0.3623 to align # Constraint # added constraint: constraint((T0339)I237.CB, (T0339)G276.CA) [> 4.4561 = 7.4269 < 9.6549] w=0.3618 to align # Constraint # added constraint: constraint((T0339)T11.CB, (T0339)G391.CA) [> 3.7042 = 6.1737 < 8.0258] w=0.3613 to align # Constraint # added constraint: constraint((T0339)G257.CA, (T0339)G267.CA) [> 3.5836 = 5.9726 < 7.7644] w=0.3610 to align # Constraint # added constraint: constraint((T0339)F110.CB, (T0339)V128.CB) [> 3.7673 = 6.2788 < 8.1625] w=0.3606 to align # Constraint # added constraint: constraint((T0339)I315.CB, (T0339)L406.CB) [> 4.2302 = 7.0504 < 9.1655] w=0.3580 to align # Constraint # added constraint: constraint((T0339)S319.CB, (T0339)N332.CB) [> 3.5752 = 5.9587 < 7.7463] w=0.3546 to align # Constraint # added constraint: constraint((T0339)V83.CB, (T0339)R161.CB) [> 3.5617 = 5.9362 < 7.7170] w=0.3539 to align # Constraint # added constraint: constraint((T0339)D64.CB, (T0339)G246.CA) [> 3.9638 = 6.6063 < 8.5882] w=0.3515 to align # Constraint # added constraint: constraint((T0339)V175.CB, (T0339)Q325.CB) [> 3.3960 = 5.6599 < 7.3579] w=0.3494 to align # Constraint # added constraint: constraint((T0339)R350.CB, (T0339)D405.CB) [> 3.1146 = 5.1910 < 6.7483] w=0.3467 to align # Constraint # added constraint: constraint((T0339)I65.CB, (T0339)I242.CB) [> 4.4098 = 7.3497 < 9.5546] w=0.3453 to align # Constraint # added constraint: constraint((T0339)V115.CB, (T0339)G145.CA) [> 3.8929 = 6.4882 < 8.4347] w=0.3432 to align # Constraint # added constraint: constraint((T0339)T12.CB, (T0339)R392.CB) [> 3.4573 = 5.7621 < 7.4907] w=0.3424 to align # Constraint # added constraint: constraint((T0339)G71.CA, (T0339)H230.CB) [> 4.4036 = 7.3394 < 9.5412] w=0.3422 to align # Constraint # added constraint: constraint((T0339)A168.CB, (T0339)T330.CB) [> 4.2324 = 7.0541 < 9.1703] w=0.3418 to align # Constraint # added constraint: constraint((T0339)S319.CB, (T0339)C331.CB) [> 3.9290 = 6.5484 < 8.5129] w=0.3408 to align # Constraint # added constraint: constraint((T0339)G211.CA, (T0339)M295.CB) [> 3.8635 = 6.4391 < 8.3709] w=0.3361 to align # Constraint # added constraint: constraint((T0339)T12.CB, (T0339)H230.CB) [> 3.8343 = 6.3906 < 8.3077] w=0.3360 to align # Constraint # added constraint: constraint((T0339)V140.CB, (T0339)I174.CB) [> 4.3170 = 7.1950 < 9.3534] w=0.3358 to align # Constraint # added constraint: constraint((T0339)V175.CB, (T0339)A209.CB) [> 4.2888 = 7.1481 < 9.2925] w=0.3351 to align # Constraint # added constraint: constraint((T0339)V115.CB, (T0339)I174.CB) [> 4.1744 = 6.9573 < 9.0445] w=0.3339 to align # Constraint # added constraint: constraint((T0339)V83.CB, (T0339)L162.CB) [> 3.9387 = 6.5645 < 8.5339] w=0.3338 to align # Constraint # added constraint: constraint((T0339)V163.CB, (T0339)N189.CB) [> 3.3165 = 5.5275 < 7.1858] w=0.3332 to align # Constraint # added constraint: constraint((T0339)I174.CB, (T0339)P328.CB) [> 4.4148 = 7.3580 < 9.5654] w=0.3313 to align # Constraint # added constraint: constraint((T0339)L14.CB, (T0339)A280.CB) [> 4.4155 = 7.3592 < 9.5669] w=0.3294 to align # Constraint # added constraint: constraint((T0339)T11.CB, (T0339)H230.CB) [> 3.3024 = 5.5041 < 7.1553] w=0.3284 to align # Constraint # added constraint: constraint((T0339)A168.CB, (T0339)Q213.CB) [> 4.0935 = 6.8225 < 8.8693] w=0.3284 to align # Constraint # added constraint: constraint((T0339)I315.CB, (T0339)R336.CB) [> 4.3241 = 7.2068 < 9.3688] w=0.3282 to align # Constraint # added constraint: constraint((T0339)P108.CB, (T0339)T160.CB) [> 4.4376 = 7.3959 < 9.6147] w=0.3275 to align # Constraint # added constraint: constraint((T0339)R305.CB, (T0339)L406.CB) [> 3.9507 = 6.5844 < 8.5598] w=0.3275 to align # Constraint # added constraint: constraint((T0339)N189.CB, (T0339)V202.CB) [> 2.9569 = 4.9281 < 6.4065] w=0.3266 to align # Constraint # added constraint: constraint((T0339)A358.CB, (T0339)R383.CB) [> 3.4719 = 5.7865 < 7.5224] w=0.3266 to align # Constraint # added constraint: constraint((T0339)N9.CB, (T0339)N329.CB) [> 4.0365 = 6.7275 < 8.7457] w=0.3246 to align # Constraint # added constraint: constraint((T0339)E116.CB, (T0339)N169.CB) [> 3.8071 = 6.3452 < 8.2488] w=0.3234 to align # Constraint # added constraint: constraint((T0339)K212.CB, (T0339)L327.CB) [> 3.1744 = 5.2907 < 6.8779] w=0.3229 to align # Constraint # added constraint: constraint((T0339)S53.CB, (T0339)T285.CB) [> 3.8395 = 6.3992 < 8.3190] w=0.3224 to align # Constraint # added constraint: constraint((T0339)G71.CA, (T0339)D205.CB) [> 4.5833 = 7.6388 < 9.9304] w=0.3218 to align # Constraint # added constraint: constraint((T0339)I58.CB, (T0339)L210.CB) [> 4.2379 = 7.0632 < 9.1822] w=0.3217 to align # Constraint # added constraint: constraint((T0339)M57.CB, (T0339)G211.CA) [> 3.8952 = 6.4921 < 8.4397] w=0.3205 to align # Constraint # added constraint: constraint((T0339)P108.CB, (T0339)L162.CB) [> 4.3781 = 7.2968 < 9.4859] w=0.3202 to align # Constraint # added constraint: constraint((T0339)N189.CB, (T0339)L201.CB) [> 4.2697 = 7.1162 < 9.2511] w=0.3198 to align # Constraint # added constraint: constraint((T0339)S69.CB, (T0339)P266.CB) [> 3.6990 = 6.1651 < 8.0146] w=0.3190 to align # Constraint # added constraint: constraint((T0339)A29.CB, (T0339)T271.CB) [> 3.8363 = 6.3939 < 8.3120] w=0.3179 to align # Constraint # added constraint: constraint((T0339)V140.CB, (T0339)N169.CB) [> 4.3112 = 7.1853 < 9.3408] w=0.3158 to align # Constraint # added constraint: constraint((T0339)V215.CB, (T0339)L225.CB) [> 4.5438 = 7.5731 < 9.8450] w=0.3135 to align # Constraint # added constraint: constraint((T0339)F110.CB, (T0339)L127.CB) [> 4.0518 = 6.7531 < 8.7790] w=0.3131 to align # Constraint # added constraint: constraint((T0339)A168.CB, (T0339)A207.CB) [> 4.4606 = 7.4343 < 9.6645] w=0.3130 to align # Constraint # added constraint: constraint((T0339)T12.CB, (T0339)F232.CB) [> 3.9188 = 6.5314 < 8.4908] w=0.3112 to align # Constraint # added constraint: constraint((T0339)N76.CB, (T0339)H126.CB) [> 4.0802 = 6.8003 < 8.8404] w=0.3103 to align # Constraint # added constraint: constraint((T0339)G211.CA, (T0339)P328.CB) [> 3.9045 = 6.5075 < 8.4597] w=0.3101 to align # Constraint # added constraint: constraint((T0339)R236.CB, (T0339)N270.CB) [> 3.7343 = 6.2239 < 8.0910] w=0.3089 to align # Constraint # added constraint: constraint((T0339)L167.CB, (T0339)Q213.CB) [> 4.4659 = 7.4431 < 9.6761] w=0.3083 to align # Constraint # added constraint: constraint((T0339)D205.CB, (T0339)I227.CB) [> 4.2281 = 7.0468 < 9.1608] w=0.3079 to align # Constraint # added constraint: constraint((T0339)T172.CB, (T0339)S319.CB) [> 3.3469 = 5.5781 < 7.2516] w=0.3077 to align # Constraint # added constraint: constraint((T0339)E292.CB, (T0339)P328.CB) [> 3.8461 = 6.4102 < 8.3333] w=0.3075 to align # Constraint # added constraint: constraint((T0339)K107.CB, (T0339)V132.CB) [> 4.1114 = 6.8524 < 8.9081] w=0.3075 to align # Constraint # added constraint: constraint((T0339)F224.CB, (T0339)L245.CB) [> 3.9453 = 6.5755 < 8.5481] w=0.3065 to align # Constraint # added constraint: constraint((T0339)A354.CB, (T0339)V402.CB) [> 4.4217 = 7.3695 < 9.5803] w=0.3060 to align # Constraint # added constraint: constraint((T0339)N318.CB, (T0339)A385.CB) [> 3.8673 = 6.4454 < 8.3791] w=0.3044 to align # Constraint # added constraint: constraint((T0339)E73.CB, (T0339)P266.CB) [> 3.9708 = 6.6179 < 8.6033] w=0.3041 to align # Constraint # added constraint: constraint((T0339)N318.CB, (T0339)C331.CB) [> 4.1912 = 6.9853 < 9.0809] w=0.3038 to align # Constraint # added constraint: constraint((T0339)A206.CB, (T0339)D216.CB) [> 3.6663 = 6.1104 < 7.9436] w=0.3037 to align # Constraint # added constraint: constraint((T0339)F256.CB, (T0339)P266.CB) [> 3.3255 = 5.5425 < 7.2053] w=0.3023 to align # Constraint # added constraint: constraint((T0339)H80.CB, (T0339)P123.CB) [> 4.2422 = 7.0703 < 9.1914] w=0.3016 to align # Constraint # added constraint: constraint((T0339)I174.CB, (T0339)L327.CB) [> 4.0657 = 6.7762 < 8.8091] w=0.3015 to align # Constraint # added constraint: constraint((T0339)S81.CB, (T0339)G246.CA) [> 4.1714 = 6.9523 < 9.0380] w=0.3014 to align # Constraint # added constraint: constraint((T0339)H316.CB, (T0339)I335.CB) [> 4.4061 = 7.3434 < 9.5464] w=0.3009 to align # Constraint # added constraint: constraint((T0339)H80.CB, (T0339)M254.CB) [> 3.5235 = 5.8725 < 7.6342] w=0.2999 to align # Constraint # added constraint: constraint((T0339)I120.CB, (T0339)V135.CB) [> 4.5872 = 7.6453 < 9.9389] w=0.2966 to align # Constraint # added constraint: constraint((T0339)Q208.CB, (T0339)V228.CB) [> 4.4456 = 7.4093 < 9.6321] w=0.2958 to align # Constraint # added constraint: constraint((T0339)D64.CB, (T0339)E247.CB) [> 3.5976 = 5.9960 < 7.7949] w=0.2935 to align # Constraint # added constraint: constraint((T0339)V156.CB, (T0339)R192.CB) [> 3.0795 = 5.1324 < 6.6722] w=0.2932 to align # Constraint # added constraint: constraint((T0339)H95.CB, (T0339)A134.CB) [> 4.1228 = 6.8714 < 8.9328] w=0.2931 to align # Constraint # added constraint: constraint((T0339)L54.CB, (T0339)L277.CB) [> 4.4428 = 7.4047 < 9.6261] w=0.2911 to align # Constraint # added constraint: constraint((T0339)N9.CB, (T0339)S355.CB) [> 4.1339 = 6.8899 < 8.9569] w=0.2882 to align # Constraint # added constraint: constraint((T0339)G71.CA, (T0339)I237.CB) [> 4.3653 = 7.2756 < 9.4582] w=0.2879 to align # Constraint # added constraint: constraint((T0339)G71.CA, (T0339)G229.CA) [> 4.3439 = 7.2399 < 9.4119] w=0.2878 to align # Constraint # added constraint: constraint((T0339)F232.CB, (T0339)A281.CB) [> 4.1745 = 6.9575 < 9.0448] w=0.2874 to align # Constraint # added constraint: constraint((T0339)T204.CB, (T0339)L220.CB) [> 4.3681 = 7.2801 < 9.4641] w=0.2870 to align # Constraint # added constraint: constraint((T0339)P13.CB, (T0339)Y233.CB) [> 3.8594 = 6.4324 < 8.3621] w=0.2869 to align # Constraint # added constraint: constraint((T0339)S81.CB, (T0339)M254.CB) [> 3.2445 = 5.4075 < 7.0298] w=0.2866 to align # Constraint # added constraint: constraint((T0339)S81.CB, (T0339)F248.CB) [> 3.2113 = 5.3521 < 6.9578] w=0.2864 to align # Constraint # added constraint: constraint((T0339)H80.CB, (T0339)P253.CB) [> 3.1109 = 5.1849 < 6.7403] w=0.2849 to align # Constraint # added constraint: constraint((T0339)Y291.CB, (T0339)G391.CA) [> 3.7385 = 6.2309 < 8.1001] w=0.2835 to align # Constraint # added constraint: constraint((T0339)L124.CB, (T0339)A134.CB) [> 4.4250 = 7.3749 < 9.5874] w=0.2832 to align # Constraint # added constraint: constraint((T0339)G145.CA, (T0339)N169.CB) [> 4.1092 = 6.8486 < 8.9032] w=0.2826 to align # Constraint # added constraint: constraint((T0339)G71.CA, (T0339)S119.CB) [> 3.9679 = 6.6132 < 8.5971] w=0.2816 to align # Constraint # added constraint: constraint((T0339)Q312.CB, (T0339)F333.CB) [> 3.5735 = 5.9559 < 7.7426] w=0.2813 to align # Constraint # added constraint: constraint((T0339)K313.CB, (T0339)F333.CB) [> 3.7638 = 6.2729 < 8.1548] w=0.2812 to align # Constraint # added constraint: constraint((T0339)A10.CB, (T0339)H230.CB) [> 3.9298 = 6.5497 < 8.5145] w=0.2777 to align # Constraint # added constraint: constraint((T0339)S81.CB, (T0339)F224.CB) [> 4.3289 = 7.2148 < 9.3792] w=0.2758 to align # Constraint # added constraint: constraint((T0339)V82.CB, (T0339)T249.CB) [> 4.2120 = 7.0201 < 9.1261] w=0.2754 to align # Constraint # added constraint: constraint((T0339)G238.CA, (T0339)L277.CB) [> 4.2656 = 7.1094 < 9.2422] w=0.2749 to align # Constraint # added constraint: constraint((T0339)R214.CB, (T0339)C288.CB) [> 3.1330 = 5.2217 < 6.7883] w=0.2748 to align # Constraint # added constraint: constraint((T0339)D7.CB, (T0339)L388.CB) [> 4.2993 = 7.1656 < 9.3152] w=0.2747 to align # Constraint # added constraint: constraint((T0339)L210.CB, (T0339)Y233.CB) [> 4.0979 = 6.8298 < 8.8787] w=0.2739 to align # Constraint # added constraint: constraint((T0339)L255.CB, (T0339)P266.CB) [> 3.2965 = 5.4941 < 7.1423] w=0.2736 to align # Constraint # added constraint: constraint((T0339)K186.CB, (T0339)P199.CB) [> 4.4788 = 7.4646 < 9.7040] w=0.2730 to align # Constraint # added constraint: constraint((T0339)Y301.CB, (T0339)V390.CB) [> 4.3921 = 7.3201 < 9.5162] w=0.2694 to align # Constraint # added constraint: constraint((T0339)P13.CB, (T0339)R392.CB) [> 3.5087 = 5.8479 < 7.6022] w=0.2689 to align # Constraint # added constraint: constraint((T0339)M6.CB, (T0339)E398.CB) [> 4.2671 = 7.1118 < 9.2454] w=0.2681 to align # Constraint # added constraint: constraint((T0339)H80.CB, (T0339)Q131.CB) [> 3.3923 = 5.6538 < 7.3499] w=0.2680 to align # Constraint # added constraint: constraint((T0339)L77.CB, (T0339)F264.CB) [> 3.5742 = 5.9570 < 7.7441] w=0.2677 to align # Constraint # added constraint: constraint((T0339)F67.CB, (T0339)L240.CB) [> 4.2899 = 7.1498 < 9.2947] w=0.2668 to align # Constraint # added constraint: constraint((T0339)V156.CB, (T0339)P198.CB) [> 3.1942 = 5.3236 < 6.9207] w=0.2664 to align # Constraint # added constraint: constraint((T0339)Q190.CB, (T0339)P199.CB) [> 4.0561 = 6.7602 < 8.7882] w=0.2663 to align # Constraint # added constraint: constraint((T0339)D118.CB, (T0339)C360.CB) [> 3.8385 = 6.3974 < 8.3167] w=0.2662 to align # Constraint # added constraint: constraint((T0339)R121.CB, (T0339)F137.CB) [> 4.3620 = 7.2700 < 9.4509] w=0.2632 to align # Constraint # added constraint: constraint((T0339)G211.CA, (T0339)N329.CB) [> 4.2988 = 7.1646 < 9.3140] w=0.2624 to align # Constraint # added constraint: constraint((T0339)G258.CA, (T0339)G267.CA) [> 3.6211 = 6.0351 < 7.8457] w=0.2602 to align # Constraint # added constraint: constraint((T0339)I185.CB, (T0339)P198.CB) [> 3.8423 = 6.4038 < 8.3249] w=0.2597 to align # Constraint # added constraint: constraint((T0339)D223.CB, (T0339)L245.CB) [> 3.6971 = 6.1619 < 8.0105] w=0.2590 to align # Constraint # added constraint: constraint((T0339)M254.CB, (T0339)P266.CB) [> 3.3202 = 5.5337 < 7.1939] w=0.2582 to align # Constraint # added constraint: constraint((T0339)E171.CB, (T0339)S355.CB) [> 4.4867 = 7.4779 < 9.7212] w=0.2565 to align # Constraint # added constraint: constraint((T0339)R314.CB, (T0339)F333.CB) [> 3.6769 = 6.1281 < 7.9665] w=0.2537 to align # Constraint # added constraint: constraint((T0339)K104.CB, (T0339)R161.CB) [> 3.7240 = 6.2066 < 8.0686] w=0.2534 to align # Constraint # added constraint: constraint((T0339)V115.CB, (T0339)P139.CB) [> 4.4746 = 7.4576 < 9.6949] w=0.2531 to align # Constraint # added constraint: constraint((T0339)L77.CB, (T0339)L255.CB) [> 3.9446 = 6.5743 < 8.5466] w=0.2530 to align # Constraint # added constraint: constraint((T0339)A43.CB, (T0339)I274.CB) [> 3.3831 = 5.6385 < 7.3301] w=0.2527 to align # Constraint # added constraint: constraint((T0339)T68.CB, (T0339)P266.CB) [> 4.3763 = 7.2939 < 9.4820] w=0.2524 to align # Constraint # added constraint: constraint((T0339)V178.CB, (T0339)G221.CA) [> 4.1936 = 6.9893 < 9.0861] w=0.2496 to align # Constraint # added constraint: constraint((T0339)N332.CB, (T0339)G357.CA) [> 4.3793 = 7.2988 < 9.4885] w=0.2481 to align # Constraint # added constraint: constraint((T0339)A25.CB, (T0339)I46.CB) [> 4.1921 = 6.9868 < 9.0828] w=0.2481 to align # Constraint # added constraint: constraint((T0339)K61.CB, (T0339)G244.CA) [> 3.8928 = 6.4880 < 8.4344] w=0.2480 to align # Constraint # added constraint: constraint((T0339)S69.CB, (T0339)G267.CA) [> 3.6938 = 6.1563 < 8.0032] w=0.2472 to align # Constraint # added constraint: constraint((T0339)R314.CB, (T0339)N332.CB) [> 3.6662 = 6.1104 < 7.9435] w=0.2467 to align # Constraint # added constraint: constraint((T0339)T160.CB, (T0339)R192.CB) [> 3.9114 = 6.5191 < 8.4748] w=0.2463 to align # Constraint # added constraint: constraint((T0339)G94.CA, (T0339)A134.CB) [> 3.6166 = 6.0276 < 7.8359] w=0.2462 to align # Constraint # added constraint: constraint((T0339)G357.CA, (T0339)R383.CB) [> 3.8350 = 6.3917 < 8.3092] w=0.2460 to align # Constraint # added constraint: constraint((T0339)P328.CB, (T0339)V390.CB) [> 4.0963 = 6.8272 < 8.8753] w=0.2460 to align # Constraint # added constraint: constraint((T0339)G173.CA, (T0339)H316.CB) [> 3.2700 = 5.4500 < 7.0849] w=0.2458 to align # Constraint # added constraint: constraint((T0339)A207.CB, (T0339)H230.CB) [> 4.3017 = 7.1695 < 9.3204] w=0.2431 to align # Constraint # added constraint: constraint((T0339)Y8.CB, (T0339)G391.CA) [> 3.2710 = 5.4517 < 7.0873] w=0.2427 to align # Constraint # added constraint: constraint((T0339)L346.CB, (T0339)A409.CB) [> 3.1050 = 5.1750 < 6.7275] w=0.2416 to align # Constraint # added constraint: constraint((T0339)I66.CB, (T0339)F264.CB) [> 3.2082 = 5.3469 < 6.9510] w=0.2413 to align # Constraint # added constraint: constraint((T0339)Y8.CB, (T0339)K231.CB) [> 4.2003 = 7.0005 < 9.1007] w=0.2413 to align # Constraint # added constraint: constraint((T0339)A106.CB, (T0339)Q131.CB) [> 3.9721 = 6.6202 < 8.6062] w=0.2404 to align # Constraint # added constraint: constraint((T0339)T72.CB, (T0339)I120.CB) [> 4.0837 = 6.8062 < 8.8480] w=0.2401 to align # Constraint # added constraint: constraint((T0339)V82.CB, (T0339)T91.CB) [> 3.1749 = 5.2916 < 6.8790] w=0.2399 to align # Constraint # added constraint: constraint((T0339)N189.CB, (T0339)P199.CB) [> 4.1861 = 6.9768 < 9.0699] w=0.2395 to align # Constraint # added constraint: constraint((T0339)L77.CB, (T0339)T249.CB) [> 3.5640 = 5.9401 < 7.7221] w=0.2395 to align # Constraint # added constraint: constraint((T0339)T68.CB, (T0339)T226.CB) [> 4.5679 = 7.6132 < 9.8972] w=0.2394 to align # Constraint # added constraint: constraint((T0339)I315.CB, (T0339)N332.CB) [> 3.3514 = 5.5856 < 7.2613] w=0.2384 to align # Constraint # added constraint: constraint((T0339)C349.CB, (T0339)L386.CB) [> 4.5346 = 7.5577 < 9.8250] w=0.2383 to align # Constraint # added constraint: constraint((T0339)T172.CB, (T0339)P328.CB) [> 4.3333 = 7.2222 < 9.3888] w=0.2369 to align # Constraint # added constraint: constraint((T0339)V115.CB, (T0339)H361.CB) [> 3.6729 = 6.1215 < 7.9580] w=0.2366 to align # Constraint # added constraint: constraint((T0339)A10.CB, (T0339)G391.CA) [> 4.1273 = 6.8788 < 8.9425] w=0.2359 to align # Constraint # added constraint: constraint((T0339)T160.CB, (T0339)P198.CB) [> 3.9923 = 6.6538 < 8.6499] w=0.2349 to align # Constraint # added constraint: constraint((T0339)T91.CB, (T0339)A133.CB) [> 2.9137 = 4.8562 < 6.3130] w=0.2347 to align # Constraint # added constraint: constraint((T0339)Y8.CB, (T0339)N329.CB) [> 4.1703 = 6.9504 < 9.0356] w=0.2346 to align # Constraint # added constraint: constraint((T0339)Q348.CB, (T0339)Q412.CB) [> 3.9001 = 6.5002 < 8.4502] w=0.2346 to align # Constraint # added constraint: constraint((T0339)V82.CB, (T0339)K104.CB) [> 3.1659 = 5.2765 < 6.8595] w=0.2333 to align # Constraint # added constraint: constraint((T0339)I79.CB, (T0339)V128.CB) [> 3.6901 = 6.1502 < 7.9952] w=0.2332 to align # Constraint # added constraint: constraint((T0339)T91.CB, (T0339)L162.CB) [> 3.8207 = 6.3679 < 8.2782] w=0.2328 to align # Constraint # added constraint: constraint((T0339)T91.CB, (T0339)F110.CB) [> 3.8536 = 6.4227 < 8.3495] w=0.2328 to align # Constraint # added constraint: constraint((T0339)E116.CB, (T0339)C360.CB) [> 3.7560 = 6.2599 < 8.1379] w=0.2326 to align # Constraint # added constraint: constraint((T0339)Y8.CB, (T0339)S355.CB) [> 3.5994 = 5.9990 < 7.7987] w=0.2307 to align # Constraint # added constraint: constraint((T0339)Y8.CB, (T0339)R387.CB) [> 4.2922 = 7.1537 < 9.2998] w=0.2307 to align # Constraint # added constraint: constraint((T0339)E73.CB, (T0339)M254.CB) [> 4.3712 = 7.2853 < 9.4709] w=0.2306 to align # Constraint # added constraint: constraint((T0339)Q320.CB, (T0339)C331.CB) [> 3.3931 = 5.6552 < 7.3518] w=0.2292 to align # Constraint # added constraint: constraint((T0339)N76.CB, (T0339)S119.CB) [> 4.2679 = 7.1132 < 9.2472] w=0.2278 to align # Constraint # added constraint: constraint((T0339)A206.CB, (T0339)V217.CB) [> 4.2613 = 7.1022 < 9.2329] w=0.2278 to align # Constraint # added constraint: constraint((T0339)G70.CA, (T0339)E269.CB) [> 4.3717 = 7.2861 < 9.4719] w=0.2274 to align # Constraint # added constraint: constraint((T0339)I174.CB, (T0339)H316.CB) [> 3.8246 = 6.3743 < 8.2866] w=0.2266 to align # Constraint # added constraint: constraint((T0339)I242.CB, (T0339)L251.CB) [> 3.8203 = 6.3672 < 8.2773] w=0.2262 to align # Constraint # added constraint: constraint((T0339)I66.CB, (T0339)T249.CB) [> 3.3867 = 5.6445 < 7.3378] w=0.2261 to align # Constraint # added constraint: constraint((T0339)V78.CB, (T0339)T249.CB) [> 3.8491 = 6.4151 < 8.3397] w=0.2261 to align # Constraint # added constraint: constraint((T0339)A358.CB, (T0339)N384.CB) [> 3.7751 = 6.2919 < 8.1794] w=0.2236 to align # Constraint # added constraint: constraint((T0339)A209.CB, (T0339)L327.CB) [> 4.2593 = 7.0988 < 9.2285] w=0.2218 to align # Constraint # added constraint: constraint((T0339)P36.CB, (T0339)T271.CB) [> 3.8449 = 6.4081 < 8.3305] w=0.2218 to align # Constraint # added constraint: constraint((T0339)K186.CB, (T0339)G221.CA) [> 4.1351 = 6.8919 < 8.9594] w=0.2217 to align # Constraint # added constraint: constraint((T0339)H95.CB, (T0339)T159.CB) [> 3.6407 = 6.0677 < 7.8881] w=0.2213 to align # Constraint # added constraint: constraint((T0339)T172.CB, (T0339)H316.CB) [> 3.4975 = 5.8292 < 7.5780] w=0.2210 to align # Constraint # added constraint: constraint((T0339)A209.CB, (T0339)F232.CB) [> 4.0306 = 6.7176 < 8.7329] w=0.2205 to align # Constraint # added constraint: constraint((T0339)V149.CB, (T0339)L188.CB) [> 3.7501 = 6.2502 < 8.1252] w=0.2198 to align # Constraint # added constraint: constraint((T0339)D64.CB, (T0339)F248.CB) [> 3.6197 = 6.0328 < 7.8426] w=0.2198 to align # Constraint # added constraint: constraint((T0339)N169.CB, (T0339)P328.CB) [> 4.3581 = 7.2634 < 9.4425] w=0.2165 to align # Constraint # added constraint: constraint((T0339)P13.CB, (T0339)G234.CA) [> 4.3495 = 7.2492 < 9.4240] w=0.2158 to align # Constraint # added constraint: constraint((T0339)I66.CB, (T0339)R265.CB) [> 3.6443 = 6.0739 < 7.8961] w=0.2145 to align # Constraint # added constraint: constraint((T0339)V222.CB, (T0339)Y241.CB) [> 4.4639 = 7.4398 < 9.6718] w=0.2145 to align # Constraint # added constraint: constraint((T0339)Y8.CB, (T0339)V390.CB) [> 4.0928 = 6.8213 < 8.8677] w=0.2145 to align # Constraint # added constraint: constraint((T0339)R314.CB, (T0339)R336.CB) [> 3.3538 = 5.5896 < 7.2665] w=0.2144 to align # Constraint # added constraint: constraint((T0339)C349.CB, (T0339)V402.CB) [> 4.4999 = 7.4998 < 9.7497] w=0.2143 to align # Constraint # added constraint: constraint((T0339)V178.CB, (T0339)V202.CB) [> 4.6403 = 7.7338 < 10.0539] w=0.2140 to align # Constraint # added constraint: constraint((T0339)H80.CB, (T0339)T91.CB) [> 4.2938 = 7.1564 < 9.3033] w=0.2127 to align # Constraint # added constraint: constraint((T0339)R339.CB, (T0339)N384.CB) [> 3.9862 = 6.6437 < 8.6368] w=0.2121 to align # Constraint # added constraint: constraint((T0339)L210.CB, (T0339)Y291.CB) [> 3.9982 = 6.6637 < 8.6628] w=0.2111 to align # Constraint # added constraint: constraint((T0339)G357.CA, (T0339)N384.CB) [> 3.7113 = 6.1855 < 8.0411] w=0.2098 to align # Constraint # added constraint: constraint((T0339)S113.CB, (T0339)I152.CB) [> 4.4904 = 7.4841 < 9.7293] w=0.2094 to align # Constraint # added constraint: constraint((T0339)I315.CB, (T0339)V410.CB) [> 4.4117 = 7.3528 < 9.5586] w=0.2092 to align # Constraint # added constraint: constraint((T0339)A10.CB, (T0339)G234.CA) [> 4.3642 = 7.2737 < 9.4559] w=0.2091 to align # Constraint # added constraint: constraint((T0339)F256.CB, (T0339)G267.CA) [> 3.5657 = 5.9429 < 7.7257] w=0.2087 to align # Constraint # added constraint: constraint((T0339)K93.CB, (T0339)V132.CB) [> 2.6986 = 4.4977 < 5.8470] w=0.2079 to align # Constraint # added constraint: constraint((T0339)A10.CB, (T0339)S355.CB) [> 3.5326 = 5.8877 < 7.6540] w=0.2078 to align # Constraint # added constraint: constraint((T0339)P108.CB, (T0339)V132.CB) [> 4.4569 = 7.4281 < 9.6565] w=0.2078 to align # Constraint # added constraint: constraint((T0339)S355.CB, (T0339)L388.CB) [> 4.4785 = 7.4641 < 9.7033] w=0.2076 to align # Constraint # added constraint: constraint((T0339)P253.CB, (T0339)P266.CB) [> 3.9933 = 6.6555 < 8.6521] w=0.2064 to align # Constraint # added constraint: constraint((T0339)A43.CB, (T0339)A275.CB) [> 4.1550 = 6.9250 < 9.0025] w=0.2039 to align # Constraint # added constraint: constraint((T0339)S114.CB, (T0339)C360.CB) [> 3.7008 = 6.1679 < 8.0183] w=0.2030 to align # Constraint # added constraint: constraint((T0339)V115.CB, (T0339)G357.CA) [> 3.9838 = 6.6397 < 8.6316] w=0.2030 to align # Constraint # added constraint: constraint((T0339)R350.CB, (T0339)A409.CB) [> 3.8056 = 6.3427 < 8.2455] w=0.2018 to align # Constraint # added constraint: constraint((T0339)F67.CB, (T0339)R265.CB) [> 3.8479 = 6.4131 < 8.3371] w=0.2010 to align # Constraint # added constraint: constraint((T0339)C360.CB, (T0339)R387.CB) [> 3.7874 = 6.3124 < 8.2061] w=0.2007 to align # Constraint # added constraint: constraint((T0339)V78.CB, (T0339)L162.CB) [> 4.1725 = 6.9542 < 9.0404] w=0.1995 to align # Constraint # added constraint: constraint((T0339)L240.CB, (T0339)T249.CB) [> 3.6497 = 6.0829 < 7.9077] w=0.1993 to align # Constraint # added constraint: constraint((T0339)N32.CB, (T0339)T268.CB) [> 3.7283 = 6.2138 < 8.0780] w=0.1992 to align # Constraint # added constraint: constraint((T0339)T136.CB, (T0339)R157.CB) [> 4.5881 = 7.6468 < 9.9409] w=0.1964 to align # Constraint # added constraint: constraint((T0339)A359.CB, (T0339)R387.CB) [> 4.0585 = 6.7642 < 8.7935] w=0.1963 to align # Constraint # added constraint: constraint((T0339)Q63.CB, (T0339)I242.CB) [> 4.1119 = 6.8533 < 8.9092] w=0.1960 to align # Constraint # added constraint: constraint((T0339)L255.CB, (T0339)G267.CA) [> 3.9564 = 6.5940 < 8.5722] w=0.1957 to align # Constraint # added constraint: constraint((T0339)P33.CB, (T0339)I47.CB) [> 3.3069 = 5.5115 < 7.1650] w=0.1953 to align # Constraint # added constraint: constraint((T0339)T11.CB, (T0339)S393.CB) [> 3.8972 = 6.4953 < 8.4438] w=0.1951 to align # Constraint # added constraint: constraint((T0339)Q348.CB, (T0339)L413.CB) [> 3.9257 = 6.5428 < 8.5057] w=0.1951 to align # Constraint # added constraint: constraint((T0339)H80.CB, (T0339)Y252.CB) [> 3.6945 = 6.1575 < 8.0048] w=0.1946 to align # Constraint # added constraint: constraint((T0339)L77.CB, (T0339)Y252.CB) [> 3.1995 = 5.3324 < 6.9322] w=0.1945 to align # Constraint # added constraint: constraint((T0339)M22.CB, (T0339)K279.CB) [> 4.2256 = 7.0426 < 9.1554] w=0.1944 to align # Constraint # added constraint: constraint((T0339)A29.CB, (T0339)A39.CB) [> 3.8849 = 6.4748 < 8.4172] w=0.1944 to align # Constraint # added constraint: constraint((T0339)S81.CB, (T0339)I242.CB) [> 4.2423 = 7.0704 < 9.1916] w=0.1944 to align # Constraint # added constraint: constraint((T0339)H316.CB, (T0339)N332.CB) [> 3.7032 = 6.1720 < 8.0235] w=0.1941 to align # Constraint # added constraint: constraint((T0339)I66.CB, (T0339)E261.CB) [> 2.8181 = 4.6968 < 6.1059] w=0.1940 to align # Constraint # added constraint: constraint((T0339)R314.CB, (T0339)S334.CB) [> 3.6690 = 6.1150 < 7.9495] w=0.1934 to align # Constraint # added constraint: constraint((T0339)A29.CB, (T0339)A43.CB) [> 3.6384 = 6.0640 < 7.8832] w=0.1905 to align # Constraint # added constraint: constraint((T0339)V356.CB, (T0339)R383.CB) [> 3.9609 = 6.6016 < 8.5821] w=0.1905 to align # Constraint # added constraint: constraint((T0339)A359.CB, (T0339)A385.CB) [> 3.5532 = 5.9219 < 7.6985] w=0.1904 to align # Constraint # added constraint: constraint((T0339)L210.CB, (T0339)V284.CB) [> 4.0774 = 6.7956 < 8.8343] w=0.1901 to align # Constraint # added constraint: constraint((T0339)V115.CB, (T0339)C360.CB) [> 2.4882 = 4.1470 < 5.3911] w=0.1896 to align # Constraint # added constraint: constraint((T0339)A29.CB, (T0339)P272.CB) [> 4.0425 = 6.7375 < 8.7588] w=0.1877 to align # Constraint # added constraint: constraint((T0339)H80.CB, (T0339)H126.CB) [> 4.2399 = 7.0664 < 9.1864] w=0.1875 to align # Constraint # added constraint: constraint((T0339)F67.CB, (T0339)E261.CB) [> 4.2518 = 7.0864 < 9.2123] w=0.1873 to align # Constraint # added constraint: constraint((T0339)G234.CA, (T0339)M273.CB) [> 3.8561 = 6.4268 < 8.3549] w=0.1873 to align # Constraint # added constraint: constraint((T0339)E171.CB, (T0339)A359.CB) [> 3.5313 = 5.8854 < 7.6511] w=0.1828 to align # Constraint # added constraint: constraint((T0339)Q320.CB, (T0339)T330.CB) [> 3.8451 = 6.4085 < 8.3311] w=0.1823 to align # Constraint # added constraint: constraint((T0339)T72.CB, (T0339)V228.CB) [> 4.6407 = 7.7344 < 10.0548] w=0.1810 to align # Constraint # added constraint: constraint((T0339)F86.CB, (T0339)R161.CB) [> 2.8322 = 4.7204 < 6.1365] w=0.1810 to align # Constraint # added constraint: constraint((T0339)P253.CB, (T0339)F264.CB) [> 3.6045 = 6.0075 < 7.8097] w=0.1810 to align # Constraint # added constraint: constraint((T0339)V115.CB, (T0339)T147.CB) [> 3.9570 = 6.5950 < 8.5735] w=0.1809 to align # Constraint # added constraint: constraint((T0339)A358.CB, (T0339)A385.CB) [> 4.1360 = 6.8933 < 8.9613] w=0.1806 to align # Constraint # added constraint: constraint((T0339)F67.CB, (T0339)N270.CB) [> 4.2610 = 7.1017 < 9.2322] w=0.1806 to align # Constraint # added constraint: constraint((T0339)T68.CB, (T0339)M254.CB) [> 3.7361 = 6.2269 < 8.0949] w=0.1776 to align # Constraint # added constraint: constraint((T0339)V115.CB, (T0339)A382.CB) [> 3.1976 = 5.3294 < 6.9282] w=0.1761 to align # Constraint # added constraint: constraint((T0339)E171.CB, (T0339)A382.CB) [> 4.0054 = 6.6757 < 8.6784] w=0.1761 to align # Constraint # added constraint: constraint((T0339)V82.CB, (T0339)L245.CB) [> 4.2035 = 7.0059 < 9.1076] w=0.1749 to align # Constraint # added constraint: constraint((T0339)H316.CB, (T0339)R326.CB) [> 3.5717 = 5.9529 < 7.7388] w=0.1748 to align # Constraint # added constraint: constraint((T0339)I335.CB, (T0339)V410.CB) [> 4.0391 = 6.7318 < 8.7514] w=0.1743 to align # Constraint # added constraint: constraint((T0339)S141.CB, (T0339)P177.CB) [> 3.7952 = 6.3254 < 8.2230] w=0.1743 to align # Constraint # added constraint: constraint((T0339)S119.CB, (T0339)D205.CB) [> 4.3870 = 7.3116 < 9.5051] w=0.1743 to align # Constraint # added constraint: constraint((T0339)V345.CB, (T0339)L413.CB) [> 3.5990 = 5.9983 < 7.7978] w=0.1743 to align # Constraint # added constraint: constraint((T0339)A10.CB, (T0339)V228.CB) [> 4.5324 = 7.5541 < 9.8203] w=0.1742 to align # Constraint # added constraint: constraint((T0339)T11.CB, (T0339)P235.CB) [> 4.0074 = 6.6789 < 8.6826] w=0.1742 to align # Constraint # added constraint: constraint((T0339)T68.CB, (T0339)R265.CB) [> 4.0758 = 6.7930 < 8.8309] w=0.1742 to align # Constraint # added constraint: constraint((T0339)N75.CB, (T0339)L127.CB) [> 3.6483 = 6.0805 < 7.9047] w=0.1742 to align # Constraint # added constraint: constraint((T0339)V345.CB, (T0339)A354.CB) [> 4.3381 = 7.2301 < 9.3992] w=0.1737 to align # Constraint # added constraint: constraint((T0339)M254.CB, (T0339)G267.CA) [> 3.5752 = 5.9587 < 7.7463] w=0.1736 to align # Constraint # added constraint: constraint((T0339)I315.CB, (T0339)C331.CB) [> 4.1381 = 6.8969 < 8.9659] w=0.1733 to align # Constraint # added constraint: constraint((T0339)A209.CB, (T0339)P328.CB) [> 3.9981 = 6.6635 < 8.6625] w=0.1730 to align # Constraint # added constraint: constraint((T0339)I47.CB, (T0339)A275.CB) [> 4.2319 = 7.0532 < 9.1691] w=0.1724 to align # Constraint # added constraint: constraint((T0339)D223.CB, (T0339)G246.CA) [> 4.0910 = 6.8183 < 8.8637] w=0.1723 to align # Constraint # added constraint: constraint((T0339)T72.CB, (T0339)L122.CB) [> 4.3287 = 7.2146 < 9.3789] w=0.1723 to align # Constraint # added constraint: constraint((T0339)G357.CA, (T0339)A382.CB) [> 2.7573 = 4.5954 < 5.9740] w=0.1695 to align # Constraint # added constraint: constraint((T0339)S114.CB, (T0339)H361.CB) [> 2.8890 = 4.8150 < 6.2595] w=0.1695 to align # Constraint # added constraint: constraint((T0339)P36.CB, (T0339)T268.CB) [> 3.8829 = 6.4715 < 8.4129] w=0.1688 to align # Constraint # added constraint: constraint((T0339)E15.CB, (T0339)V284.CB) [> 4.1948 = 6.9913 < 9.0887] w=0.1688 to align # Constraint # added constraint: constraint((T0339)P253.CB, (T0339)N263.CB) [> 3.7229 = 6.2048 < 8.0663] w=0.1676 to align # Constraint # added constraint: constraint((T0339)L240.CB, (T0339)F264.CB) [> 4.2736 = 7.1227 < 9.2595] w=0.1676 to align # Constraint # added constraint: constraint((T0339)T23.CB, (T0339)P272.CB) [> 4.4419 = 7.4033 < 9.6242] w=0.1676 to align # Constraint # added constraint: constraint((T0339)V82.CB, (T0339)F110.CB) [> 4.3262 = 7.2103 < 9.3734] w=0.1668 to align # Constraint # added constraint: constraint((T0339)Y8.CB, (T0339)M353.CB) [> 3.6248 = 6.0413 < 7.8538] w=0.1655 to align # Constraint # added constraint: constraint((T0339)S34.CB, (T0339)K44.CB) [> 3.8745 = 6.4575 < 8.3948] w=0.1637 to align # Constraint # added constraint: constraint((T0339)W30.CB, (T0339)A275.CB) [> 3.4996 = 5.8327 < 7.5825] w=0.1614 to align # Constraint # added constraint: constraint((T0339)S38.CB, (T0339)T268.CB) [> 3.1299 = 5.2165 < 6.7814] w=0.1614 to align # Constraint # added constraint: constraint((T0339)L77.CB, (T0339)F256.CB) [> 3.6398 = 6.0663 < 7.8861] w=0.1611 to align # Constraint # added constraint: constraint((T0339)V356.CB, (T0339)A382.CB) [> 4.1397 = 6.8995 < 8.9694] w=0.1610 to align # Constraint # added constraint: constraint((T0339)L77.CB, (T0339)T226.CB) [> 4.5627 = 7.6045 < 9.8858] w=0.1609 to align # Constraint # added constraint: constraint((T0339)A206.CB, (T0339)V228.CB) [> 4.1348 = 6.8914 < 8.9588] w=0.1608 to align # Constraint # added constraint: constraint((T0339)V356.CB, (T0339)N384.CB) [> 4.0198 = 6.6997 < 8.7096] w=0.1604 to align # Constraint # added constraint: constraint((T0339)V140.CB, (T0339)I165.CB) [> 3.8695 = 6.4492 < 8.3839] w=0.1596 to align # Constraint # added constraint: constraint((T0339)V140.CB, (T0339)M176.CB) [> 3.4296 = 5.7160 < 7.4308] w=0.1596 to align # Constraint # added constraint: constraint((T0339)N332.CB, (T0339)A359.CB) [> 4.0506 = 6.7510 < 8.7763] w=0.1569 to align # Constraint # added constraint: constraint((T0339)A359.CB, (T0339)N384.CB) [> 3.7978 = 6.3297 < 8.2286] w=0.1566 to align # Constraint # added constraint: constraint((T0339)Y37.CB, (T0339)T268.CB) [> 3.7313 = 6.2188 < 8.0844] w=0.1562 to align # Constraint # added constraint: constraint((T0339)I174.CB, (T0339)N318.CB) [> 4.1646 = 6.9410 < 9.0233] w=0.1555 to align # Constraint # added constraint: constraint((T0339)S38.CB, (T0339)T271.CB) [> 3.3712 = 5.6187 < 7.3044] w=0.1547 to align # Constraint # added constraint: constraint((T0339)I174.CB, (T0339)F321.CB) [> 4.0442 = 6.7403 < 8.7623] w=0.1546 to align # Constraint # added constraint: constraint((T0339)R236.CB, (T0339)E269.CB) [> 4.1072 = 6.8454 < 8.8990] w=0.1544 to align # Constraint # added constraint: constraint((T0339)M6.CB, (T0339)S355.CB) [> 4.1235 = 6.8725 < 8.9342] w=0.1542 to align # Constraint # added constraint: constraint((T0339)G229.CA, (T0339)A281.CB) [> 4.4391 = 7.3985 < 9.6181] w=0.1542 to align # Constraint # added constraint: constraint((T0339)G173.CA, (T0339)F321.CB) [> 3.5799 = 5.9665 < 7.7565] w=0.1542 to align # Constraint # added constraint: constraint((T0339)A168.CB, (T0339)N329.CB) [> 3.9107 = 6.5177 < 8.4731] w=0.1541 to align # Constraint # added constraint: constraint((T0339)I79.CB, (T0339)I120.CB) [> 4.1451 = 6.9086 < 8.9811] w=0.1541 to align # Constraint # added constraint: constraint((T0339)A168.CB, (T0339)D205.CB) [> 4.0904 = 6.8174 < 8.8626] w=0.1540 to align # Constraint # added constraint: constraint((T0339)R161.CB, (T0339)P199.CB) [> 4.5410 = 7.5683 < 9.8388] w=0.1537 to align # Constraint # added constraint: constraint((T0339)I165.CB, (T0339)V222.CB) [> 4.4806 = 7.4677 < 9.7080] w=0.1529 to align # Constraint # added constraint: constraint((T0339)I66.CB, (T0339)Y252.CB) [> 3.7498 = 6.2496 < 8.1245] w=0.1524 to align # Constraint # added constraint: constraint((T0339)A209.CB, (T0339)N329.CB) [> 4.0902 = 6.8170 < 8.8621] w=0.1522 to align # Constraint # added constraint: constraint((T0339)S362.CB, (T0339)R383.CB) [> 3.5960 = 5.9933 < 7.7913] w=0.1494 to align # Constraint # added constraint: constraint((T0339)M6.CB, (T0339)R392.CB) [> 4.2280 = 7.0466 < 9.1607] w=0.1481 to align # Constraint # added constraint: constraint((T0339)G70.CA, (T0339)A239.CB) [> 4.1876 = 6.9792 < 9.0730] w=0.1475 to align # Constraint # added constraint: constraint((T0339)H80.CB, (T0339)L255.CB) [> 3.7650 = 6.2749 < 8.1574] w=0.1474 to align # Constraint # added constraint: constraint((T0339)H80.CB, (T0339)F256.CB) [> 4.1060 = 6.8433 < 8.8963] w=0.1470 to align # Constraint # added constraint: constraint((T0339)I66.CB, (T0339)M254.CB) [> 3.9633 = 6.6055 < 8.5872] w=0.1461 to align # Constraint # added constraint: constraint((T0339)I66.CB, (T0339)L255.CB) [> 3.8477 = 6.4128 < 8.3367] w=0.1458 to align # Constraint # added constraint: constraint((T0339)P328.CB, (T0339)S389.CB) [> 3.8774 = 6.4622 < 8.4009] w=0.1455 to align # Constraint # added constraint: constraint((T0339)H117.CB, (T0339)T172.CB) [> 4.3206 = 7.2011 < 9.3614] w=0.1416 to align # Constraint # added constraint: constraint((T0339)Y252.CB, (T0339)F264.CB) [> 3.9166 = 6.5276 < 8.4859] w=0.1408 to align # Constraint # added constraint: constraint((T0339)V175.CB, (T0339)P322.CB) [> 3.1507 = 5.2511 < 6.8264] w=0.1408 to align # Constraint # added constraint: constraint((T0339)Y5.CB, (T0339)S393.CB) [> 4.3806 = 7.3010 < 9.4913] w=0.1407 to align # Constraint # added constraint: constraint((T0339)L201.CB, (T0339)V222.CB) [> 3.8187 = 6.3645 < 8.2739] w=0.1406 to align # Constraint # added constraint: constraint((T0339)V115.CB, (T0339)D380.CB) [> 3.2779 = 5.4632 < 7.1021] w=0.1397 to align # Constraint # added constraint: constraint((T0339)F310.CB, (T0339)K407.CB) [> 3.9286 = 6.5476 < 8.5119] w=0.1376 to align # Constraint # added constraint: constraint((T0339)S114.CB, (T0339)V381.CB) [> 3.3252 = 5.5420 < 7.2045] w=0.1359 to align # Constraint # added constraint: constraint((T0339)S119.CB, (T0339)F137.CB) [> 3.8976 = 6.4960 < 8.4447] w=0.1349 to align # Constraint # added constraint: constraint((T0339)G40.CA, (T0339)T268.CB) [> 3.3333 = 5.5555 < 7.2222] w=0.1343 to align # Constraint # added constraint: constraint((T0339)K107.CB, (T0339)T160.CB) [> 4.0319 = 6.7198 < 8.7357] w=0.1341 to align # Constraint # added constraint: constraint((T0339)K107.CB, (T0339)R161.CB) [> 2.6192 = 4.3654 < 5.6750] w=0.1341 to align # Constraint # added constraint: constraint((T0339)T172.CB, (T0339)R387.CB) [> 4.5631 = 7.6051 < 9.8866] w=0.1341 to align # Constraint # added constraint: constraint((T0339)S69.CB, (T0339)M273.CB) [> 4.5497 = 7.5829 < 9.8578] w=0.1337 to align # Constraint # added constraint: constraint((T0339)L255.CB, (T0339)R265.CB) [> 3.8179 = 6.3632 < 8.2721] w=0.1321 to align # Constraint # added constraint: constraint((T0339)N9.CB, (T0339)G391.CA) [> 3.7198 = 6.1996 < 8.0595] w=0.1321 to align # Constraint # added constraint: constraint((T0339)Y8.CB, (T0339)A354.CB) [> 3.4389 = 5.7315 < 7.4510] w=0.1321 to align # Constraint # added constraint: constraint((T0339)F137.CB, (T0339)H361.CB) [> 3.9984 = 6.6641 < 8.6633] w=0.1293 to align # Constraint # added constraint: constraint((T0339)Y233.CB, (T0339)N287.CB) [> 4.2768 = 7.1279 < 9.2663] w=0.1293 to align # Constraint # added constraint: constraint((T0339)A39.CB, (T0339)T268.CB) [> 3.7218 = 6.2030 < 8.0639] w=0.1287 to align # Constraint # added constraint: constraint((T0339)F137.CB, (T0339)A155.CB) [> 4.4137 = 7.3561 < 9.5629] w=0.1283 to align # Constraint # added constraint: constraint((T0339)T11.CB, (T0339)R236.CB) [> 4.3119 = 7.1865 < 9.3424] w=0.1280 to align # Constraint # added constraint: constraint((T0339)R214.CB, (T0339)R326.CB) [> 3.8507 = 6.4178 < 8.3431] w=0.1280 to align # Constraint # added constraint: constraint((T0339)S319.CB, (T0339)T330.CB) [> 4.0125 = 6.6876 < 8.6938] w=0.1274 to align # Constraint # added constraint: constraint((T0339)N76.CB, (T0339)E130.CB) [> 4.2417 = 7.0695 < 9.1903] w=0.1274 to align # Constraint # added constraint: constraint((T0339)E171.CB, (T0339)H361.CB) [> 3.5494 = 5.9157 < 7.6904] w=0.1273 to align # Constraint # added constraint: constraint((T0339)S113.CB, (T0339)L167.CB) [> 4.3485 = 7.2474 < 9.4217] w=0.1254 to align # Constraint # added constraint: constraint((T0339)L77.CB, (T0339)R265.CB) [> 4.0914 = 6.8189 < 8.8646] w=0.1254 to align # Constraint # added constraint: constraint((T0339)M254.CB, (T0339)R265.CB) [> 4.0972 = 6.8286 < 8.8772] w=0.1254 to align # Constraint # added constraint: constraint((T0339)E73.CB, (T0339)G258.CA) [> 4.2925 = 7.1542 < 9.3004] w=0.1253 to align # Constraint # added constraint: constraint((T0339)A359.CB, (T0339)R383.CB) [> 3.8826 = 6.4709 < 8.4122] w=0.1235 to align # Constraint # added constraint: constraint((T0339)L77.CB, (T0339)G258.CA) [> 3.9232 = 6.5387 < 8.5004] w=0.1230 to align # Constraint # added constraint: constraint((T0339)V115.CB, (T0339)A385.CB) [> 4.4471 = 7.4118 < 9.6353] w=0.1227 to align # Constraint # added constraint: constraint((T0339)V115.CB, (T0339)N332.CB) [> 4.3370 = 7.2284 < 9.3969] w=0.1227 to align # Constraint # added constraint: constraint((T0339)S113.CB, (T0339)V163.CB) [> 4.5607 = 7.6012 < 9.8815] w=0.1226 to align # Constraint # added constraint: constraint((T0339)P139.CB, (T0339)H361.CB) [> 4.2881 = 7.1469 < 9.2909] w=0.1226 to align # Constraint # added constraint: constraint((T0339)I47.CB, (T0339)Q63.CB) [> 4.4217 = 7.3695 < 9.5804] w=0.1226 to align # Constraint # added constraint: constraint((T0339)K3.CB, (T0339)V351.CB) [> 3.3710 = 5.6183 < 7.3038] w=0.1213 to align # Constraint # added constraint: constraint((T0339)T68.CB, (T0339)P253.CB) [> 3.7737 = 6.2896 < 8.1764] w=0.1209 to align # Constraint # added constraint: constraint((T0339)T72.CB, (T0339)H117.CB) [> 4.6354 = 7.7257 < 10.0435] w=0.1207 to align # Constraint # added constraint: constraint((T0339)L167.CB, (T0339)A207.CB) [> 4.6251 = 7.7085 < 10.0211] w=0.1207 to align # Constraint # added constraint: constraint((T0339)L210.CB, (T0339)G229.CA) [> 4.6628 = 7.7713 < 10.1026] w=0.1194 to align # Constraint # added constraint: constraint((T0339)L210.CB, (T0339)P328.CB) [> 3.8332 = 6.3886 < 8.3052] w=0.1193 to align # Constraint # added constraint: constraint((T0339)D64.CB, (T0339)L245.CB) [> 4.2389 = 7.0648 < 9.1842] w=0.1179 to align # Constraint # added constraint: constraint((T0339)Y8.CB, (T0339)L388.CB) [> 3.6779 = 6.1299 < 7.9689] w=0.1167 to align # Constraint # added constraint: constraint((T0339)D45.CB, (T0339)I274.CB) [> 4.5297 = 7.5495 < 9.8143] w=0.1159 to align # Constraint # added constraint: constraint((T0339)S35.CB, (T0339)P272.CB) [> 3.9860 = 6.6433 < 8.6363] w=0.1145 to align # Constraint # added constraint: constraint((T0339)S38.CB, (T0339)E269.CB) [> 3.5503 = 5.9171 < 7.6922] w=0.1145 to align # Constraint # added constraint: constraint((T0339)Y252.CB, (T0339)N263.CB) [> 3.3920 = 5.6534 < 7.3494] w=0.1140 to align # Constraint # added constraint: constraint((T0339)V143.CB, (T0339)I174.CB) [> 4.1098 = 6.8497 < 8.9046] w=0.1140 to align # Constraint # added constraint: constraint((T0339)T112.CB, (T0339)V128.CB) [> 3.9631 = 6.6052 < 8.5867] w=0.1139 to align # Constraint # added constraint: constraint((T0339)L210.CB, (T0339)V228.CB) [> 4.6227 = 7.7045 < 10.0159] w=0.1139 to align # Constraint # added constraint: constraint((T0339)G40.CA, (T0339)T271.CB) [> 3.7177 = 6.1961 < 8.0550] w=0.1135 to align # Constraint # added constraint: constraint((T0339)I46.CB, (T0339)P272.CB) [> 4.6023 = 7.6705 < 9.9716] w=0.1120 to align # Constraint # added constraint: constraint((T0339)A209.CB, (T0339)C288.CB) [> 4.0357 = 6.7262 < 8.7441] w=0.1088 to align # Constraint # added constraint: constraint((T0339)K42.CB, (T0339)I274.CB) [> 4.1452 = 6.9086 < 8.9812] w=0.1079 to align # Constraint # added constraint: constraint((T0339)P36.CB, (T0339)F67.CB) [> 4.0839 = 6.8064 < 8.8484] w=0.1078 to align # Constraint # added constraint: constraint((T0339)L255.CB, (T0339)F264.CB) [> 4.4042 = 7.3403 < 9.5424] w=0.1073 to align # Constraint # added constraint: constraint((T0339)D64.CB, (T0339)V217.CB) [> 4.4444 = 7.4074 < 9.6296] w=0.1072 to align # Constraint # added constraint: constraint((T0339)T112.CB, (T0339)E125.CB) [> 3.6693 = 6.1154 < 7.9501] w=0.1071 to align # Constraint # added constraint: constraint((T0339)V356.CB, (T0339)S389.CB) [> 3.5929 = 5.9881 < 7.7846] w=0.1064 to align # Constraint # added constraint: constraint((T0339)A347.CB, (T0339)L386.CB) [> 4.4858 = 7.4763 < 9.7192] w=0.1056 to align # Constraint # added constraint: constraint((T0339)T68.CB, (T0339)L255.CB) [> 3.7341 = 6.2234 < 8.0905] w=0.1056 to align # Constraint # added constraint: constraint((T0339)V18.CB, (T0339)R236.CB) [> 3.9360 = 6.5601 < 8.5281] w=0.1053 to align # Constraint # added constraint: constraint((T0339)L14.CB, (T0339)R236.CB) [> 3.6003 = 6.0004 < 7.8005] w=0.1053 to align # Constraint # added constraint: constraint((T0339)H80.CB, (T0339)G257.CA) [> 3.8506 = 6.4176 < 8.3429] w=0.1034 to align # Constraint # added constraint: constraint((T0339)H80.CB, (T0339)G258.CA) [> 4.0324 = 6.7207 < 8.7369] w=0.1034 to align # Constraint # added constraint: constraint((T0339)A207.CB, (T0339)G238.CA) [> 4.6700 = 7.7834 < 10.1184] w=0.1026 to align # Constraint # added constraint: constraint((T0339)S74.CB, (T0339)F224.CB) [> 4.5586 = 7.5977 < 9.8770] w=0.1026 to align # Constraint # added constraint: constraint((T0339)P139.CB, (T0339)V381.CB) [> 3.6884 = 6.1473 < 7.9915] w=0.1023 to align # Constraint # added constraint: constraint((T0339)G70.CA, (T0339)I227.CB) [> 4.7316 = 7.8860 < 10.2518] w=0.1006 to align # Constraint # added constraint: constraint((T0339)S81.CB, (T0339)L240.CB) [> 4.4595 = 7.4325 < 9.6623] w=0.1006 to align # Constraint # added constraint: constraint((T0339)H85.CB, (T0339)L201.CB) [> 3.9737 = 6.6229 < 8.6097] w=0.1006 to align # Constraint # added constraint: constraint((T0339)I19.CB, (T0339)G276.CA) [> 4.6157 = 7.6928 < 10.0007] w=0.1006 to align # Constraint # added constraint: constraint((T0339)T12.CB, (T0339)G229.CA) [> 4.5867 = 7.6444 < 9.9378] w=0.1006 to align # Constraint # added constraint: constraint((T0339)L162.CB, (T0339)D223.CB) [> 4.6665 = 7.7776 < 10.1108] w=0.1005 to align # Constraint # added constraint: constraint((T0339)V82.CB, (T0339)V103.CB) [> 3.6546 = 6.0910 < 7.9182] w=0.1005 to align # Constraint # added constraint: constraint((T0339)D205.CB, (T0339)V228.CB) [> 4.6870 = 7.8117 < 10.1552] w=0.0993 to align # Constraint # added constraint: constraint((T0339)S53.CB, (T0339)I65.CB) [> 4.7039 = 7.8399 < 10.1918] w=0.0993 to align # Constraint # added constraint: constraint((T0339)V356.CB, (T0339)L388.CB) [> 3.7107 = 6.1846 < 8.0399] w=0.0986 to align # Constraint # added constraint: constraint((T0339)E171.CB, (T0339)A358.CB) [> 4.1988 = 6.9980 < 9.0974] w=0.0966 to align # Constraint # added constraint: constraint((T0339)P235.CB, (T0339)N270.CB) [> 4.3575 = 7.2625 < 9.4412] w=0.0944 to align # Constraint # added constraint: constraint((T0339)N170.CB, (T0339)H361.CB) [> 4.2625 = 7.1042 < 9.2354] w=0.0939 to align # Constraint # added constraint: constraint((T0339)S114.CB, (T0339)S374.CB) [> 2.7917 = 4.6527 < 6.0486] w=0.0939 to align # Constraint # added constraint: constraint((T0339)G70.CA, (T0339)T226.CB) [> 4.5994 = 7.6657 < 9.9654] w=0.0939 to align # Constraint # added constraint: constraint((T0339)E73.CB, (T0339)R236.CB) [> 4.5989 = 7.6649 < 9.9643] w=0.0939 to align # Constraint # added constraint: constraint((T0339)A10.CB, (T0339)Y233.CB) [> 4.0448 = 6.7414 < 8.7638] w=0.0939 to align # Constraint # added constraint: constraint((T0339)P36.CB, (T0339)G267.CA) [> 4.1547 = 6.9244 < 9.0017] w=0.0939 to align # Constraint # added constraint: constraint((T0339)A358.CB, (T0339)F379.CB) [> 3.0374 = 5.0623 < 6.5810] w=0.0939 to align # Constraint # added constraint: constraint((T0339)D7.CB, (T0339)V390.CB) [> 4.1419 = 6.9032 < 8.9742] w=0.0938 to align # Constraint # added constraint: constraint((T0339)S81.CB, (T0339)L255.CB) [> 3.7028 = 6.1713 < 8.0227] w=0.0938 to align # Constraint # added constraint: constraint((T0339)R121.CB, (T0339)M166.CB) [> 3.5286 = 5.8810 < 7.6453] w=0.0938 to align # Constraint # added constraint: constraint((T0339)S114.CB, (T0339)D363.CB) [> 3.7978 = 6.3296 < 8.2285] w=0.0937 to align # Constraint # added constraint: constraint((T0339)G71.CA, (T0339)A206.CB) [> 4.5412 = 7.5687 < 9.8393] w=0.0937 to align # Constraint # added constraint: constraint((T0339)V356.CB, (T0339)P378.CB) [> 3.9805 = 6.6341 < 8.6243] w=0.0936 to align # Constraint # added constraint: constraint((T0339)V345.CB, (T0339)N384.CB) [> 3.8162 = 6.3603 < 8.2684] w=0.0934 to align # Constraint # added constraint: constraint((T0339)T160.CB, (T0339)P199.CB) [> 4.4441 = 7.4068 < 9.6289] w=0.0932 to align # Constraint # added constraint: constraint((T0339)I237.CB, (T0339)A280.CB) [> 3.2708 = 5.4513 < 7.0866] w=0.0932 to align # Constraint # added constraint: constraint((T0339)V140.CB, (T0339)I152.CB) [> 3.4867 = 5.8112 < 7.5545] w=0.0926 to align # Constraint # added constraint: constraint((T0339)L225.CB, (T0339)A239.CB) [> 4.7068 = 7.8447 < 10.1981] w=0.0926 to align # Constraint # added constraint: constraint((T0339)K212.CB, (T0339)V284.CB) [> 3.7428 = 6.2380 < 8.1095] w=0.0915 to align # Constraint # added constraint: constraint((T0339)L372.CB, (T0339)A385.CB) [> 3.7861 = 6.3101 < 8.2031] w=0.0872 to align # Constraint # added constraint: constraint((T0339)T172.CB, (T0339)V371.CB) [> 3.8859 = 6.4764 < 8.4194] w=0.0872 to align # Constraint # added constraint: constraint((T0339)E171.CB, (T0339)V371.CB) [> 2.9693 = 4.9488 < 6.4334] w=0.0872 to align # Constraint # added constraint: constraint((T0339)V115.CB, (T0339)V371.CB) [> 2.9894 = 4.9824 < 6.4771] w=0.0872 to align # Constraint # added constraint: constraint((T0339)T172.CB, (T0339)C331.CB) [> 3.8221 = 6.3701 < 8.2811] w=0.0871 to align # Constraint # added constraint: constraint((T0339)M26.CB, (T0339)T271.CB) [> 3.3109 = 5.5182 < 7.1736] w=0.0871 to align # Constraint # added constraint: constraint((T0339)M26.CB, (T0339)A275.CB) [> 3.1573 = 5.2622 < 6.8409] w=0.0871 to align # Constraint # added constraint: constraint((T0339)S35.CB, (T0339)F67.CB) [> 2.7542 = 4.5903 < 5.9674] w=0.0871 to align # Constraint # added constraint: constraint((T0339)L317.CB, (T0339)R326.CB) [> 4.4550 = 7.4250 < 9.6525] w=0.0871 to align # Constraint # added constraint: constraint((T0339)S114.CB, (T0339)F379.CB) [> 3.7688 = 6.2814 < 8.1658] w=0.0869 to align # Constraint # added constraint: constraint((T0339)Y233.CB, (T0339)G278.CA) [> 4.5859 = 7.6432 < 9.9362] w=0.0867 to align # Constraint # added constraint: constraint((T0339)M22.CB, (T0339)R236.CB) [> 3.9025 = 6.5042 < 8.4554] w=0.0852 to align # Constraint # added constraint: constraint((T0339)T112.CB, (T0339)M166.CB) [> 4.0058 = 6.6764 < 8.6793] w=0.0852 to align # Constraint # added constraint: constraint((T0339)V202.CB, (T0339)D219.CB) [> 4.0558 = 6.7597 < 8.7876] w=0.0852 to align # Constraint # added constraint: constraint((T0339)S114.CB, (T0339)A382.CB) [> 3.7343 = 6.2239 < 8.0910] w=0.0825 to align # Constraint # added constraint: constraint((T0339)S113.CB, (T0339)T172.CB) [> 4.4735 = 7.4558 < 9.6926] w=0.0813 to align # Constraint # added constraint: constraint((T0339)H117.CB, (T0339)P139.CB) [> 3.2848 = 5.4746 < 7.1170] w=0.0813 to align # Constraint # added constraint: constraint((T0339)G40.CA, (T0339)G267.CA) [> 3.8254 = 6.3756 < 8.2883] w=0.0811 to align # Constraint # added constraint: constraint((T0339)T160.CB, (T0339)L197.CB) [> 3.6176 = 6.0293 < 7.8382] w=0.0804 to align # Constraint # added constraint: constraint((T0339)I19.CB, (T0339)P235.CB) [> 4.5345 = 7.5574 < 9.8247] w=0.0804 to align # Constraint # added constraint: constraint((T0339)L162.CB, (T0339)F224.CB) [> 4.5653 = 7.6088 < 9.8915] w=0.0804 to align # Constraint # added constraint: constraint((T0339)A49.CB, (T0339)A275.CB) [> 4.5088 = 7.5147 < 9.7692] w=0.0804 to align # Constraint # added constraint: constraint((T0339)M166.CB, (T0339)A209.CB) [> 4.3060 = 7.1767 < 9.3297] w=0.0804 to align # Constraint # added constraint: constraint((T0339)P36.CB, (T0339)A275.CB) [> 4.2874 = 7.1457 < 9.2894] w=0.0804 to align # Constraint # added constraint: constraint((T0339)G357.CA, (T0339)V381.CB) [> 4.2017 = 7.0028 < 9.1037] w=0.0804 to align # Constraint # added constraint: constraint((T0339)L77.CB, (T0339)G259.CA) [> 3.8830 = 6.4717 < 8.4133] w=0.0804 to align # Constraint # added constraint: constraint((T0339)A21.CB, (T0339)W30.CB) [> 3.8292 = 6.3821 < 8.2967] w=0.0804 to align # Constraint # added constraint: constraint((T0339)T172.CB, (T0339)A385.CB) [> 4.5877 = 7.6462 < 9.9401] w=0.0804 to align # Constraint # added constraint: constraint((T0339)S69.CB, (T0339)F264.CB) [> 3.7001 = 6.1668 < 8.0168] w=0.0803 to align # Constraint # added constraint: constraint((T0339)Q208.CB, (T0339)I227.CB) [> 4.4576 = 7.4293 < 9.6581] w=0.0803 to align # Constraint # added constraint: constraint((T0339)V377.CB, (T0339)L386.CB) [> 4.1580 = 6.9299 < 9.0089] w=0.0802 to align # Constraint # added constraint: constraint((T0339)E171.CB, (T0339)S319.CB) [> 4.1363 = 6.8939 < 8.9621] w=0.0800 to align # Constraint # added constraint: constraint((T0339)L167.CB, (T0339)P328.CB) [> 4.7286 = 7.8810 < 10.2453] w=0.0750 to align # Constraint # added constraint: constraint((T0339)G40.CA, (T0339)F67.CB) [> 4.2613 = 7.1022 < 9.2329] w=0.0744 to align # Constraint # added constraint: constraint((T0339)W30.CB, (T0339)N270.CB) [> 4.0671 = 6.7785 < 8.8120] w=0.0737 to align # Constraint # added constraint: constraint((T0339)V156.CB, (T0339)L197.CB) [> 3.7995 = 6.3325 < 8.2323] w=0.0737 to align # Constraint # added constraint: constraint((T0339)F256.CB, (T0339)R265.CB) [> 3.9388 = 6.5647 < 8.5341] w=0.0737 to align # Constraint # added constraint: constraint((T0339)H85.CB, (T0339)P250.CB) [> 3.0918 = 5.1530 < 6.6989] w=0.0737 to align # Constraint # added constraint: constraint((T0339)V115.CB, (T0339)S374.CB) [> 3.3028 = 5.5047 < 7.1561] w=0.0737 to align # Constraint # added constraint: constraint((T0339)L372.CB, (T0339)V381.CB) [> 4.5806 = 7.6344 < 9.9247] w=0.0737 to align # Constraint # added constraint: constraint((T0339)E171.CB, (T0339)L372.CB) [> 4.3633 = 7.2721 < 9.4538] w=0.0737 to align # Constraint # added constraint: constraint((T0339)L372.CB, (T0339)A382.CB) [> 2.8994 = 4.8324 < 6.2821] w=0.0737 to align # Constraint # added constraint: constraint((T0339)E171.CB, (T0339)R383.CB) [> 3.9580 = 6.5966 < 8.5756] w=0.0737 to align # Constraint # added constraint: constraint((T0339)R161.CB, (T0339)P198.CB) [> 3.4362 = 5.7270 < 7.4451] w=0.0737 to align # Constraint # added constraint: constraint((T0339)A10.CB, (T0339)N329.CB) [> 4.0870 = 6.8116 < 8.8551] w=0.0737 to align # Constraint # added constraint: constraint((T0339)R121.CB, (T0339)D205.CB) [> 4.2806 = 7.1343 < 9.2746] w=0.0737 to align # Constraint # added constraint: constraint((T0339)G40.CA, (T0339)I274.CB) [> 4.0962 = 6.8270 < 8.8751] w=0.0737 to align # Constraint # added constraint: constraint((T0339)I335.CB, (T0339)V356.CB) [> 4.5233 = 7.5388 < 9.8004] w=0.0737 to align # Constraint # added constraint: constraint((T0339)Y252.CB, (T0339)P266.CB) [> 3.8645 = 6.4408 < 8.3730] w=0.0736 to align # Constraint # added constraint: constraint((T0339)T68.CB, (T0339)G258.CA) [> 4.0196 = 6.6994 < 8.7092] w=0.0736 to align # Constraint # added constraint: constraint((T0339)A358.CB, (T0339)R387.CB) [> 4.2317 = 7.0528 < 9.1686] w=0.0736 to align # Constraint # added constraint: constraint((T0339)C331.CB, (T0339)L386.CB) [> 3.9216 = 6.5360 < 8.4969] w=0.0718 to align # Constraint # added constraint: constraint((T0339)F110.CB, (T0339)P123.CB) [> 4.5140 = 7.5233 < 9.7803] w=0.0717 to align # Constraint # added constraint: constraint((T0339)P139.CB, (T0339)C360.CB) [> 4.1864 = 6.9773 < 9.0705] w=0.0698 to align # Constraint # added constraint: constraint((T0339)T68.CB, (T0339)V228.CB) [> 4.7067 = 7.8445 < 10.1979] w=0.0691 to align # Constraint # added constraint: constraint((T0339)V115.CB, (T0339)F137.CB) [> 4.1665 = 6.9442 < 9.0275] w=0.0679 to align # Constraint # added constraint: constraint((T0339)K42.CB, (T0339)T268.CB) [> 3.2943 = 5.4906 < 7.1377] w=0.0677 to align # Constraint # added constraint: constraint((T0339)T172.CB, (T0339)L372.CB) [> 4.4840 = 7.4732 < 9.7152] w=0.0670 to align # Constraint # added constraint: constraint((T0339)N332.CB, (T0339)R383.CB) [> 4.6486 = 7.7477 < 10.0720] w=0.0670 to align # Constraint # added constraint: constraint((T0339)L346.CB, (T0339)L413.CB) [> 3.6907 = 6.1512 < 7.9966] w=0.0670 to align # Constraint # added constraint: constraint((T0339)P123.CB, (T0339)A133.CB) [> 4.1558 = 6.9263 < 9.0042] w=0.0670 to align # Constraint # added constraint: constraint((T0339)G40.CA, (T0339)E269.CB) [> 4.3918 = 7.3197 < 9.5156] w=0.0670 to align # Constraint # added constraint: constraint((T0339)S113.CB, (T0339)A168.CB) [> 4.3388 = 7.2314 < 9.4008] w=0.0670 to align # Constraint # added constraint: constraint((T0339)P33.CB, (T0339)A275.CB) [> 3.7231 = 6.2052 < 8.0668] w=0.0670 to align # Constraint # added constraint: constraint((T0339)G234.CA, (T0339)R392.CB) [> 3.7744 = 6.2907 < 8.1778] w=0.0670 to align # Constraint # added constraint: constraint((T0339)P368.CB, (T0339)F379.CB) [> 3.9181 = 6.5302 < 8.4893] w=0.0662 to align # Constraint # added constraint: constraint((T0339)L153.CB, (T0339)E191.CB) [> 4.4354 = 7.3924 < 9.6101] w=0.0651 to align # Constraint # added constraint: constraint((T0339)E171.CB, (T0339)P328.CB) [> 4.5458 = 7.5763 < 9.8491] w=0.0651 to align # Constraint # added constraint: constraint((T0339)Y5.CB, (T0339)S355.CB) [> 3.5765 = 5.9609 < 7.7492] w=0.0651 to align # Constraint # added constraint: constraint((T0339)T136.CB, (T0339)P158.CB) [> 3.2814 = 5.4690 < 7.1097] w=0.0651 to align # Constraint # added constraint: constraint((T0339)K93.CB, (T0339)L127.CB) [> 4.3612 = 7.2686 < 9.4492] w=0.0649 to align # Constraint # added constraint: constraint((T0339)S69.CB, (T0339)A239.CB) [> 3.8088 = 6.3481 < 8.2525] w=0.0632 to align # Constraint # added constraint: constraint((T0339)A39.CB, (T0339)F67.CB) [> 2.7994 = 4.6657 < 6.0654] w=0.0610 to align # Constraint # added constraint: constraint((T0339)I174.CB, (T0339)N332.CB) [> 2.9548 = 4.9247 < 6.4021] w=0.0603 to align # Constraint # added constraint: constraint((T0339)E171.CB, (T0339)C331.CB) [> 4.5539 = 7.5899 < 9.8668] w=0.0603 to align # Constraint # added constraint: constraint((T0339)V138.CB, (T0339)I165.CB) [> 4.6135 = 7.6891 < 9.9958] w=0.0603 to align # Constraint # added constraint: constraint((T0339)L167.CB, (T0339)L225.CB) [> 4.7060 = 7.8433 < 10.1963] w=0.0603 to align # Constraint # added constraint: constraint((T0339)F86.CB, (T0339)K107.CB) [> 2.8594 = 4.7656 < 6.1953] w=0.0603 to align # Constraint # added constraint: constraint((T0339)Q63.CB, (T0339)R262.CB) [> 4.5728 = 7.6213 < 9.9076] w=0.0603 to align # Constraint # added constraint: constraint((T0339)T172.CB, (T0339)R383.CB) [> 4.3316 = 7.2194 < 9.3852] w=0.0603 to align # Constraint # added constraint: constraint((T0339)A206.CB, (T0339)L220.CB) [> 4.2838 = 7.1396 < 9.2815] w=0.0603 to align # Constraint # added constraint: constraint((T0339)A10.CB, (T0339)V390.CB) [> 3.9829 = 6.6382 < 8.6296] w=0.0603 to align # Constraint # added constraint: constraint((T0339)P328.CB, (T0339)G391.CA) [> 3.1817 = 5.3029 < 6.8938] w=0.0603 to align # Constraint # added constraint: constraint((T0339)V103.CB, (T0339)R161.CB) [> 3.2485 = 5.4141 < 7.0383] w=0.0602 to align # Constraint # added constraint: constraint((T0339)L220.CB, (T0339)Y241.CB) [> 4.0961 = 6.8268 < 8.8748] w=0.0601 to align # Constraint # added constraint: constraint((T0339)D64.CB, (T0339)L220.CB) [> 3.9460 = 6.5767 < 8.5497] w=0.0601 to align # Constraint # added constraint: constraint((T0339)L317.CB, (T0339)L327.CB) [> 4.0795 = 6.7992 < 8.8390] w=0.0595 to align # Constraint # added constraint: constraint((T0339)A358.CB, (T0339)S389.CB) [> 4.0687 = 6.7812 < 8.8156] w=0.0595 to align # Constraint # added constraint: constraint((T0339)V115.CB, (T0339)L167.CB) [> 4.4980 = 7.4966 < 9.7456] w=0.0591 to align # Constraint # added constraint: constraint((T0339)G234.CA, (T0339)G278.CA) [> 4.4276 = 7.3793 < 9.5931] w=0.0584 to align # Constraint # added constraint: constraint((T0339)N329.CB, (T0339)L388.CB) [> 3.6594 = 6.0990 < 7.9287] w=0.0584 to align # Constraint # added constraint: constraint((T0339)Y37.CB, (T0339)F67.CB) [> 3.8550 = 6.4250 < 8.3525] w=0.0542 to align # Constraint # added constraint: constraint((T0339)D7.CB, (T0339)V356.CB) [> 3.1893 = 5.3155 < 6.9102] w=0.0536 to align # Constraint # added constraint: constraint((T0339)A358.CB, (T0339)S369.CB) [> 3.5678 = 5.9463 < 7.7302] w=0.0536 to align # Constraint # added constraint: constraint((T0339)V371.CB, (T0339)V381.CB) [> 4.3119 = 7.1865 < 9.3424] w=0.0536 to align # Constraint # added constraint: constraint((T0339)I335.CB, (T0339)L413.CB) [> 4.1149 = 6.8581 < 8.9155] w=0.0536 to align # Constraint # added constraint: constraint((T0339)L251.CB, (T0339)N263.CB) [> 3.7640 = 6.2734 < 8.1554] w=0.0536 to align # Constraint # added constraint: constraint((T0339)P36.CB, (T0339)P272.CB) [> 4.1358 = 6.8930 < 8.9609] w=0.0536 to align # Constraint # added constraint: constraint((T0339)M26.CB, (T0339)I274.CB) [> 4.3240 = 7.2067 < 9.3688] w=0.0536 to align # Constraint # added constraint: constraint((T0339)M26.CB, (T0339)I46.CB) [> 4.2014 = 7.0023 < 9.1029] w=0.0536 to align # Constraint # added constraint: constraint((T0339)V135.CB, (T0339)S362.CB) [> 4.3097 = 7.1828 < 9.3376] w=0.0536 to align # Constraint # added constraint: constraint((T0339)A359.CB, (T0339)L386.CB) [> 3.6959 = 6.1599 < 8.0079] w=0.0535 to align # Constraint # added constraint: constraint((T0339)A207.CB, (T0339)V356.CB) [> 4.6721 = 7.7869 < 10.1229] w=0.0528 to align # Constraint # added constraint: constraint((T0339)Q208.CB, (T0339)V356.CB) [> 4.5031 = 7.5051 < 9.7567] w=0.0528 to align # Constraint # added constraint: constraint((T0339)T330.CB, (T0339)V356.CB) [> 3.8148 = 6.3579 < 8.2653] w=0.0528 to align # Constraint # added constraint: constraint((T0339)A358.CB, (T0339)G391.CA) [> 3.3432 = 5.5720 < 7.2436] w=0.0528 to align # Constraint # added constraint: constraint((T0339)P368.CB, (T0339)R383.CB) [> 3.1607 = 5.2678 < 6.8482] w=0.0517 to align # Constraint # added constraint: constraint((T0339)L346.CB, (T0339)V410.CB) [> 4.1720 = 6.9534 < 9.0394] w=0.0513 to align # Constraint # added constraint: constraint((T0339)S69.CB, (T0339)L240.CB) [> 3.6554 = 6.0923 < 7.9200] w=0.0498 to align # Constraint # added constraint: constraint((T0339)S69.CB, (T0339)T226.CB) [> 4.5855 = 7.6425 < 9.9353] w=0.0498 to align # Constraint # added constraint: constraint((T0339)T204.CB, (T0339)G221.CA) [> 4.6365 = 7.7275 < 10.0458] w=0.0498 to align # Constraint # added constraint: constraint((T0339)Y37.CB, (T0339)F256.CB) [> 4.0308 = 6.7180 < 8.7333] w=0.0476 to align # Constraint # added constraint: constraint((T0339)Y5.CB, (T0339)R392.CB) [> 4.5814 = 7.6357 < 9.9265] w=0.0476 to align # Constraint # added constraint: constraint((T0339)R41.CB, (T0339)I66.CB) [> 3.0746 = 5.1243 < 6.6617] w=0.0476 to align # Constraint # added constraint: constraint((T0339)M26.CB, (T0339)S35.CB) [> 4.1703 = 6.9505 < 9.0356] w=0.0476 to align # Constraint # added constraint: constraint((T0339)A207.CB, (T0339)P328.CB) [> 4.1621 = 6.9368 < 9.0178] w=0.0475 to align # Constraint # added constraint: constraint((T0339)T68.CB, (T0339)F256.CB) [> 4.2059 = 7.0098 < 9.1128] w=0.0469 to align # Constraint # added constraint: constraint((T0339)N9.CB, (T0339)H230.CB) [> 4.3478 = 7.2464 < 9.4203] w=0.0469 to align # Constraint # added constraint: constraint((T0339)I174.CB, (T0339)C331.CB) [> 4.0289 = 6.7148 < 8.7292] w=0.0469 to align # Constraint # added constraint: constraint((T0339)I47.CB, (T0339)N263.CB) [> 3.7054 = 6.1757 < 8.0284] w=0.0469 to align # Constraint # added constraint: constraint((T0339)R121.CB, (T0339)P370.CB) [> 4.3016 = 7.1694 < 9.3202] w=0.0469 to align # Constraint # added constraint: constraint((T0339)N189.CB, (T0339)P198.CB) [> 3.6657 = 6.1095 < 7.9423] w=0.0469 to align # Constraint # added constraint: constraint((T0339)S114.CB, (T0339)L373.CB) [> 4.7118 = 7.8530 < 10.2089] w=0.0469 to align # Constraint # added constraint: constraint((T0339)F224.CB, (T0339)G244.CA) [> 4.5297 = 7.5495 < 9.8144] w=0.0469 to align # Constraint # added constraint: constraint((T0339)T172.CB, (T0339)N329.CB) [> 3.5279 = 5.8798 < 7.6438] w=0.0469 to align # Constraint # added constraint: constraint((T0339)S119.CB, (T0339)V135.CB) [> 3.1293 = 5.2156 < 6.7802] w=0.0469 to align # Constraint # added constraint: constraint((T0339)D118.CB, (T0339)V135.CB) [> 4.1302 = 6.8836 < 8.9487] w=0.0469 to align # Constraint # added constraint: constraint((T0339)V82.CB, (T0339)I200.CB) [> 4.0407 = 6.7345 < 8.7549] w=0.0468 to align # Constraint # added constraint: constraint((T0339)A358.CB, (T0339)L386.CB) [> 3.7497 = 6.2495 < 8.1243] w=0.0468 to align # Constraint # added constraint: constraint((T0339)V202.CB, (T0339)L225.CB) [> 4.3738 = 7.2897 < 9.4766] w=0.0468 to align # Constraint # added constraint: constraint((T0339)A359.CB, (T0339)G391.CA) [> 4.0463 = 6.7439 < 8.7671] w=0.0465 to align # Constraint # added constraint: constraint((T0339)C349.CB, (T0339)V410.CB) [> 4.1248 = 6.8746 < 8.9370] w=0.0450 to align # Constraint # added constraint: constraint((T0339)D64.CB, (T0339)L251.CB) [> 4.2286 = 7.0477 < 9.1620] w=0.0446 to align # Constraint # added constraint: constraint((T0339)L240.CB, (T0339)L255.CB) [> 4.4483 = 7.4138 < 9.6380] w=0.0446 to align # Constraint # added constraint: constraint((T0339)V115.CB, (T0339)R387.CB) [> 4.6677 = 7.7795 < 10.1133] w=0.0422 to align # Constraint # added constraint: constraint((T0339)S114.CB, (T0339)E171.CB) [> 4.1019 = 6.8365 < 8.8874] w=0.0422 to align # Constraint # added constraint: constraint((T0339)H109.CB, (T0339)V156.CB) [> 4.7784 = 7.9640 < 10.3532] w=0.0416 to align # Constraint # added constraint: constraint((T0339)V115.CB, (T0339)I165.CB) [> 4.1899 = 6.9832 < 9.0782] w=0.0402 to align # Constraint # added constraint: constraint((T0339)H230.CB, (T0339)M273.CB) [> 4.1945 = 6.9908 < 9.0880] w=0.0402 to align # Constraint # added constraint: constraint((T0339)I66.CB, (T0339)S81.CB) [> 4.6769 = 7.7948 < 10.1333] w=0.0402 to align # Constraint # added constraint: constraint((T0339)I174.CB, (T0339)T330.CB) [> 3.5410 = 5.9016 < 7.6721] w=0.0402 to align # Constraint # added constraint: constraint((T0339)I174.CB, (T0339)A385.CB) [> 4.2635 = 7.1059 < 9.2377] w=0.0402 to align # Constraint # added constraint: constraint((T0339)I174.CB, (T0339)R387.CB) [> 3.3810 = 5.6350 < 7.3254] w=0.0402 to align # Constraint # added constraint: constraint((T0339)H80.CB, (T0339)H100.CB) [> 3.6508 = 6.0847 < 7.9100] w=0.0402 to align # Constraint # added constraint: constraint((T0339)G357.CA, (T0339)L372.CB) [> 4.6246 = 7.7077 < 10.0200] w=0.0402 to align # Constraint # added constraint: constraint((T0339)T136.CB, (T0339)V156.CB) [> 4.6163 = 7.6939 < 10.0020] w=0.0402 to align # Constraint # added constraint: constraint((T0339)V138.CB, (T0339)V149.CB) [> 4.7224 = 7.8706 < 10.2318] w=0.0402 to align # Constraint # added constraint: constraint((T0339)V344.CB, (T0339)Q412.CB) [> 3.5359 = 5.8932 < 7.6611] w=0.0402 to align # Constraint # added constraint: constraint((T0339)N318.CB, (T0339)L372.CB) [> 4.0843 = 6.8072 < 8.8493] w=0.0402 to align # Constraint # added constraint: constraint((T0339)K142.CB, (T0339)G376.CA) [> 3.9957 = 6.6595 < 8.6573] w=0.0402 to align # Constraint # added constraint: constraint((T0339)Q208.CB, (T0339)S389.CB) [> 4.6533 = 7.7555 < 10.0821] w=0.0402 to align # Constraint # added constraint: constraint((T0339)P108.CB, (T0339)P198.CB) [> 4.6749 = 7.7916 < 10.1290] w=0.0402 to align # Constraint # added constraint: constraint((T0339)L167.CB, (T0339)V202.CB) [> 4.1343 = 6.8904 < 8.9576] w=0.0402 to align # Constraint # added constraint: constraint((T0339)I66.CB, (T0339)G238.CA) [> 3.9083 = 6.5138 < 8.4679] w=0.0402 to align # Constraint # added constraint: constraint((T0339)Y5.CB, (T0339)S389.CB) [> 4.4480 = 7.4133 < 9.6372] w=0.0402 to align # Constraint # added constraint: constraint((T0339)A39.CB, (T0339)N263.CB) [> 3.9496 = 6.5826 < 8.5574] w=0.0401 to align # Constraint # added constraint: constraint((T0339)P338.CB, (T0339)Q348.CB) [> 3.6909 = 6.1515 < 7.9970] w=0.0401 to align # Constraint # added constraint: constraint((T0339)G357.CA, (T0339)V377.CB) [> 3.2720 = 5.4534 < 7.0894] w=0.0401 to align # Constraint # added constraint: constraint((T0339)S81.CB, (T0339)L201.CB) [> 4.5234 = 7.5390 < 9.8007] w=0.0390 to align # Constraint # added constraint: constraint((T0339)S81.CB, (T0339)L162.CB) [> 4.3949 = 7.3248 < 9.5223] w=0.0390 to align # Constraint # added constraint: constraint((T0339)V82.CB, (T0339)T164.CB) [> 4.0437 = 6.7394 < 8.7612] w=0.0383 to align # Constraint # added constraint: constraint((T0339)N329.CB, (T0339)R387.CB) [> 4.2722 = 7.1204 < 9.2565] w=0.0383 to align # Constraint # added constraint: constraint((T0339)T330.CB, (T0339)L386.CB) [> 4.4588 = 7.4313 < 9.6606] w=0.0383 to align # Constraint # added constraint: constraint((T0339)C331.CB, (T0339)A385.CB) [> 3.0247 = 5.0411 < 6.5535] w=0.0383 to align # Constraint # added constraint: constraint((T0339)T330.CB, (T0339)A359.CB) [> 3.5900 = 5.9834 < 7.7784] w=0.0383 to align # Constraint # added constraint: constraint((T0339)I165.CB, (T0339)L201.CB) [> 4.3960 = 7.3266 < 9.5246] w=0.0382 to align # Constraint # added constraint: constraint((T0339)N329.CB, (T0339)S393.CB) [> 2.9443 = 4.9072 < 6.3794] w=0.0342 to align # Constraint # added constraint: constraint((T0339)T160.CB, (T0339)L201.CB) [> 4.5285 = 7.5476 < 9.8118] w=0.0335 to align # Constraint # added constraint: constraint((T0339)Y37.CB, (T0339)G257.CA) [> 3.4676 = 5.7793 < 7.5131] w=0.0335 to align # Constraint # added constraint: constraint((T0339)T204.CB, (T0339)V215.CB) [> 4.1707 = 6.9511 < 9.0364] w=0.0335 to align # Constraint # added constraint: constraint((T0339)S81.CB, (T0339)F256.CB) [> 4.4495 = 7.4158 < 9.6405] w=0.0335 to align # Constraint # added constraint: constraint((T0339)F256.CB, (T0339)T268.CB) [> 4.2300 = 7.0500 < 9.1650] w=0.0335 to align # Constraint # added constraint: constraint((T0339)D223.CB, (T0339)Y241.CB) [> 4.7359 = 7.8931 < 10.2610] w=0.0335 to align # Constraint # added constraint: constraint((T0339)I227.CB, (T0339)I237.CB) [> 4.3934 = 7.3223 < 9.5190] w=0.0335 to align # Constraint # added constraint: constraint((T0339)T68.CB, (T0339)G257.CA) [> 4.3911 = 7.3186 < 9.5141] w=0.0335 to align # Constraint # added constraint: constraint((T0339)Q208.CB, (T0339)G229.CA) [> 4.2935 = 7.1559 < 9.3026] w=0.0335 to align # Constraint # added constraint: constraint((T0339)S69.CB, (T0339)G257.CA) [> 4.4015 = 7.3359 < 9.5367] w=0.0335 to align # Constraint # added constraint: constraint((T0339)S114.CB, (T0339)Y375.CB) [> 3.5328 = 5.8880 < 7.6544] w=0.0335 to align # Constraint # added constraint: constraint((T0339)L122.CB, (T0339)P370.CB) [> 3.9408 = 6.5680 < 8.5384] w=0.0335 to align # Constraint # added constraint: constraint((T0339)A206.CB, (T0339)Y241.CB) [> 4.6822 = 7.8037 < 10.1448] w=0.0335 to align # Constraint # added constraint: constraint((T0339)S114.CB, (T0339)V371.CB) [> 3.6286 = 6.0476 < 7.8619] w=0.0335 to align # Constraint # added constraint: constraint((T0339)L373.CB, (T0339)R383.CB) [> 4.1918 = 6.9864 < 9.0823] w=0.0335 to align # Constraint # added constraint: constraint((T0339)A43.CB, (T0339)N263.CB) [> 3.5833 = 5.9721 < 7.7638] w=0.0335 to align # Constraint # added constraint: constraint((T0339)I19.CB, (T0339)N32.CB) [> 4.6135 = 7.6892 < 9.9959] w=0.0335 to align # Constraint # added constraint: constraint((T0339)E171.CB, (T0339)P368.CB) [> 3.6347 = 6.0578 < 7.8752] w=0.0335 to align # Constraint # added constraint: constraint((T0339)P368.CB, (T0339)A385.CB) [> 4.6577 = 7.7629 < 10.0918] w=0.0335 to align # Constraint # added constraint: constraint((T0339)K3.CB, (T0339)S355.CB) [> 3.3124 = 5.5206 < 7.1768] w=0.0335 to align # Constraint # added constraint: constraint((T0339)S81.CB, (T0339)G258.CA) [> 4.1651 = 6.9418 < 9.0243] w=0.0335 to align # Constraint # added constraint: constraint((T0339)L201.CB, (T0339)G221.CA) [> 3.5585 = 5.9308 < 7.7100] w=0.0335 to align # Constraint # added constraint: constraint((T0339)S38.CB, (T0339)N270.CB) [> 3.9927 = 6.6544 < 8.6508] w=0.0335 to align # Constraint # added constraint: constraint((T0339)T23.CB, (T0339)P62.CB) [> 2.7157 = 4.5261 < 5.8840] w=0.0334 to align # Constraint # added constraint: constraint((T0339)V115.CB, (T0339)A359.CB) [> 3.6634 = 6.1056 < 7.9373] w=0.0334 to align # Constraint # added constraint: constraint((T0339)A359.CB, (T0339)L388.CB) [> 4.0550 = 6.7584 < 8.7859] w=0.0331 to align # Constraint # added constraint: constraint((T0339)S69.CB, (T0339)N263.CB) [> 3.9049 = 6.5082 < 8.4607] w=0.0331 to align # Constraint # added constraint: constraint((T0339)A358.CB, (T0339)L388.CB) [> 4.2226 = 7.0377 < 9.1490] w=0.0331 to align # Constraint # added constraint: constraint((T0339)L317.CB, (T0339)P328.CB) [> 4.4724 = 7.4541 < 9.6903] w=0.0327 to align # Constraint # added constraint: constraint((T0339)N332.CB, (T0339)N384.CB) [> 3.7786 = 6.2976 < 8.1869] w=0.0316 to align # Constraint # added constraint: constraint((T0339)T330.CB, (T0339)A385.CB) [> 3.5133 = 5.8555 < 7.6121] w=0.0316 to align # Constraint # added constraint: constraint((T0339)P328.CB, (T0339)L388.CB) [> 4.1845 = 6.9742 < 9.0665] w=0.0316 to align # Constraint # added constraint: constraint((T0339)P328.CB, (T0339)R387.CB) [> 3.8862 = 6.4771 < 8.4202] w=0.0316 to align # Constraint # added constraint: constraint((T0339)P368.CB, (T0339)N384.CB) [> 4.5890 = 7.6483 < 9.9428] w=0.0316 to align # Constraint # added constraint: constraint((T0339)I65.CB, (T0339)L77.CB) [> 4.6730 = 7.7884 < 10.1249] w=0.0316 to align # Constraint # added constraint: constraint((T0339)F110.CB, (T0339)I165.CB) [> 4.2235 = 7.0391 < 9.1509] w=0.0316 to align # Constraint # added constraint: constraint((T0339)E171.CB, (T0339)Q208.CB) [> 3.9103 = 6.5172 < 8.4724] w=0.0296 to align # Constraint # added constraint: constraint((T0339)V82.CB, (T0339)S92.CB) [> 4.0266 = 6.7110 < 8.7242] w=0.0275 to align # Constraint # added constraint: constraint((T0339)F67.CB, (T0339)Y241.CB) [> 3.1362 = 5.2270 < 6.7951] w=0.0268 to align # Constraint # added constraint: constraint((T0339)L77.CB, (T0339)A239.CB) [> 4.4703 = 7.4506 < 9.6857] w=0.0268 to align # Constraint # added constraint: constraint((T0339)Q213.CB, (T0339)T330.CB) [> 3.2276 = 5.3793 < 6.9931] w=0.0268 to align # Constraint # added constraint: constraint((T0339)T172.CB, (T0339)Q208.CB) [> 3.6944 = 6.1573 < 8.0045] w=0.0268 to align # Constraint # added constraint: constraint((T0339)L317.CB, (T0339)T330.CB) [> 4.5622 = 7.6037 < 9.8848] w=0.0268 to align # Constraint # added constraint: constraint((T0339)A134.CB, (T0339)T160.CB) [> 4.0191 = 6.6985 < 8.7080] w=0.0268 to align # Constraint # added constraint: constraint((T0339)F137.CB, (T0339)Y375.CB) [> 3.4471 = 5.7452 < 7.4688] w=0.0268 to align # Constraint # added constraint: constraint((T0339)R161.CB, (T0339)R192.CB) [> 4.3313 = 7.2188 < 9.3844] w=0.0268 to align # Constraint # added constraint: constraint((T0339)V115.CB, (T0339)V138.CB) [> 4.7796 = 7.9659 < 10.3557] w=0.0268 to align # Constraint # added constraint: constraint((T0339)T160.CB, (T0339)G196.CA) [> 4.4096 = 7.3494 < 9.5542] w=0.0268 to align # Constraint # added constraint: constraint((T0339)Q213.CB, (T0339)H316.CB) [> 4.4070 = 7.3450 < 9.5486] w=0.0268 to align # Constraint # added constraint: constraint((T0339)A207.CB, (T0339)A239.CB) [> 4.2490 = 7.0817 < 9.2063] w=0.0268 to align # Constraint # added constraint: constraint((T0339)T68.CB, (T0339)Y241.CB) [> 3.9644 = 6.6073 < 8.5894] w=0.0268 to align # Constraint # added constraint: constraint((T0339)L77.CB, (T0339)Y241.CB) [> 4.0121 = 6.6867 < 8.6928] w=0.0268 to align # Constraint # added constraint: constraint((T0339)G229.CA, (T0339)L240.CB) [> 3.9063 = 6.5105 < 8.4636] w=0.0268 to align # Constraint # added constraint: constraint((T0339)F67.CB, (T0339)L77.CB) [> 3.4915 = 5.8191 < 7.5648] w=0.0268 to align # Constraint # added constraint: constraint((T0339)I66.CB, (T0339)I237.CB) [> 3.4039 = 5.6732 < 7.3752] w=0.0268 to align # Constraint # added constraint: constraint((T0339)D205.CB, (T0339)V215.CB) [> 4.1771 = 6.9619 < 9.0505] w=0.0267 to align # Constraint # added constraint: constraint((T0339)V202.CB, (T0339)T226.CB) [> 3.9398 = 6.5663 < 8.5361] w=0.0267 to align # Constraint # added constraint: constraint((T0339)A358.CB, (T0339)V390.CB) [> 3.3504 = 5.5840 < 7.2592] w=0.0264 to align # Constraint # added constraint: constraint((T0339)H230.CB, (T0339)S355.CB) [> 3.9890 = 6.6482 < 8.6427] w=0.0260 to align # Constraint # added constraint: constraint((T0339)T164.CB, (T0339)I200.CB) [> 3.2955 = 5.4925 < 7.1402] w=0.0249 to align # Constraint # added constraint: constraint((T0339)T164.CB, (T0339)L201.CB) [> 3.0999 = 5.1665 < 6.7165] w=0.0249 to align # Constraint # added constraint: constraint((T0339)A39.CB, (T0339)I66.CB) [> 4.2280 = 7.0467 < 9.1608] w=0.0208 to align # Constraint # added constraint: constraint((T0339)Y37.CB, (T0339)I66.CB) [> 3.7544 = 6.2573 < 8.1346] w=0.0207 to align # Constraint # added constraint: constraint((T0339)F110.CB, (T0339)L201.CB) [> 4.6490 = 7.7484 < 10.0729] w=0.0201 to align # Constraint # added constraint: constraint((T0339)A39.CB, (T0339)F256.CB) [> 3.5582 = 5.9304 < 7.7095] w=0.0201 to align # Constraint # added constraint: constraint((T0339)S81.CB, (T0339)D223.CB) [> 4.5910 = 7.6517 < 9.9472] w=0.0201 to align # Constraint # added constraint: constraint((T0339)H109.CB, (T0339)I200.CB) [> 4.7849 = 7.9748 < 10.3672] w=0.0201 to align # Constraint # added constraint: constraint((T0339)I174.CB, (T0339)S389.CB) [> 4.6495 = 7.7491 < 10.0739] w=0.0201 to align # Constraint # added constraint: constraint((T0339)Q63.CB, (T0339)Y241.CB) [> 4.1023 = 6.8371 < 8.8882] w=0.0201 to align # Constraint # added constraint: constraint((T0339)K93.CB, (T0339)R161.CB) [> 3.6469 = 6.0782 < 7.9016] w=0.0201 to align # Constraint # added constraint: constraint((T0339)S114.CB, (T0339)T172.CB) [> 4.5402 = 7.5669 < 9.8370] w=0.0201 to align # Constraint # added constraint: constraint((T0339)I165.CB, (T0339)V175.CB) [> 4.1006 = 6.8344 < 8.8847] w=0.0201 to align # Constraint # added constraint: constraint((T0339)T172.CB, (T0339)S389.CB) [> 4.2837 = 7.1396 < 9.2814] w=0.0201 to align # Constraint # added constraint: constraint((T0339)Y37.CB, (T0339)P62.CB) [> 3.8011 = 6.3351 < 8.2357] w=0.0201 to align # Constraint # added constraint: constraint((T0339)T330.CB, (T0339)S355.CB) [> 4.6076 = 7.6794 < 9.9832] w=0.0201 to align # Constraint # added constraint: constraint((T0339)S113.CB, (T0339)V156.CB) [> 4.1352 = 6.8920 < 8.9595] w=0.0201 to align # Constraint # added constraint: constraint((T0339)F67.CB, (T0339)G229.CA) [> 4.5596 = 7.5993 < 9.8791] w=0.0201 to align # Constraint # added constraint: constraint((T0339)A206.CB, (T0339)A239.CB) [> 4.7089 = 7.8482 < 10.2026] w=0.0201 to align # Constraint # added constraint: constraint((T0339)V175.CB, (T0339)N332.CB) [> 4.4340 = 7.3900 < 9.6070] w=0.0201 to align # Constraint # added constraint: constraint((T0339)S389.CB, (T0339)V399.CB) [> 4.7441 = 7.9069 < 10.2789] w=0.0201 to align # Constraint # added constraint: constraint((T0339)A168.CB, (T0339)V202.CB) [> 4.0452 = 6.7420 < 8.7646] w=0.0201 to align # Constraint # added constraint: constraint((T0339)V228.CB, (T0339)Y241.CB) [> 3.7735 = 6.2891 < 8.1759] w=0.0201 to align # Constraint # added constraint: constraint((T0339)V228.CB, (T0339)L240.CB) [> 4.5848 = 7.6413 < 9.9336] w=0.0201 to align # Constraint # added constraint: constraint((T0339)H203.CB, (T0339)I227.CB) [> 4.1401 = 6.9002 < 8.9703] w=0.0201 to align # Constraint # added constraint: constraint((T0339)L201.CB, (T0339)L225.CB) [> 4.2283 = 7.0472 < 9.1614] w=0.0201 to align # Constraint # added constraint: constraint((T0339)V115.CB, (T0339)N384.CB) [> 4.5822 = 7.6370 < 9.9281] w=0.0201 to align # Constraint # added constraint: constraint((T0339)V115.CB, (T0339)R383.CB) [> 4.1703 = 6.9505 < 9.0356] w=0.0201 to align # Constraint # added constraint: constraint((T0339)V82.CB, (T0339)H109.CB) [> 3.8022 = 6.3371 < 8.2382] w=0.0201 to align # Constraint # added constraint: constraint((T0339)D64.CB, (T0339)L240.CB) [> 4.3912 = 7.3186 < 9.5142] w=0.0201 to align # Constraint # added constraint: constraint((T0339)M166.CB, (T0339)V202.CB) [> 4.0165 = 6.6941 < 8.7023] w=0.0201 to align # Constraint # added constraint: constraint((T0339)V115.CB, (T0339)A358.CB) [> 3.7672 = 6.2787 < 8.1624] w=0.0201 to align # Constraint # added constraint: constraint((T0339)S355.CB, (T0339)A385.CB) [> 4.3422 = 7.2370 < 9.4081] w=0.0201 to align # Constraint # added constraint: constraint((T0339)I200.CB, (T0339)F224.CB) [> 3.5192 = 5.8653 < 7.6248] w=0.0200 to align # Constraint # added constraint: constraint((T0339)V371.CB, (T0339)R383.CB) [> 4.6969 = 7.8282 < 10.1767] w=0.0193 to align # Constraint # added constraint: constraint((T0339)S81.CB, (T0339)R161.CB) [> 4.7554 = 7.9256 < 10.3033] w=0.0188 to align # Constraint # added constraint: constraint((T0339)F110.CB, (T0339)M166.CB) [> 3.7769 = 6.2948 < 8.1832] w=0.0182 to align # Constraint # added constraint: constraint((T0339)I165.CB, (T0339)I200.CB) [> 3.0201 = 5.0335 < 6.5435] w=0.0182 to align # Constraint # added constraint: constraint((T0339)V156.CB, (T0339)I165.CB) [> 3.7846 = 6.3077 < 8.2000] w=0.0182 to align # Constraint # added constraint: constraint((T0339)G71.CA, (T0339)L122.CB) [> 4.4149 = 7.3581 < 9.5656] w=0.0182 to align # Constraint # added constraint: constraint((T0339)Y37.CB, (T0339)I65.CB) [> 4.3623 = 7.2705 < 9.4517] w=0.0140 to align # Constraint # added constraint: constraint((T0339)V82.CB, (T0339)V202.CB) [> 3.5216 = 5.8693 < 7.6301] w=0.0134 to align # Constraint # added constraint: constraint((T0339)V115.CB, (T0339)T164.CB) [> 4.2158 = 7.0262 < 9.1341] w=0.0134 to align # Constraint # added constraint: constraint((T0339)S355.CB, (T0339)R383.CB) [> 4.1797 = 6.9661 < 9.0560] w=0.0134 to align # Constraint # added constraint: constraint((T0339)P108.CB, (T0339)T136.CB) [> 4.0031 = 6.6718 < 8.6733] w=0.0134 to align # Constraint # added constraint: constraint((T0339)G105.CA, (T0339)P199.CB) [> 4.6668 = 7.7780 < 10.1114] w=0.0134 to align # Constraint # added constraint: constraint((T0339)S114.CB, (T0339)M166.CB) [> 4.1035 = 6.8392 < 8.8910] w=0.0134 to align # Constraint # added constraint: constraint((T0339)S114.CB, (T0339)R383.CB) [> 3.3201 = 5.5335 < 7.1935] w=0.0134 to align # Constraint # added constraint: constraint((T0339)S114.CB, (T0339)N384.CB) [> 4.1573 = 6.9289 < 9.0075] w=0.0134 to align # Constraint # added constraint: constraint((T0339)Y37.CB, (T0339)Q260.CB) [> 3.4351 = 5.7251 < 7.4427] w=0.0134 to align # Constraint # added constraint: constraint((T0339)Y37.CB, (T0339)R262.CB) [> 4.0021 = 6.6701 < 8.6711] w=0.0134 to align # Constraint # added constraint: constraint((T0339)Q63.CB, (T0339)L240.CB) [> 3.1050 = 5.1750 < 6.7276] w=0.0134 to align # Constraint # added constraint: constraint((T0339)I65.CB, (T0339)G238.CA) [> 3.6240 = 6.0400 < 7.8520] w=0.0134 to align # Constraint # added constraint: constraint((T0339)S81.CB, (T0339)Y241.CB) [> 4.6947 = 7.8246 < 10.1720] w=0.0134 to align # Constraint # added constraint: constraint((T0339)A206.CB, (T0339)I237.CB) [> 4.7695 = 7.9492 < 10.3340] w=0.0134 to align # Constraint # added constraint: constraint((T0339)A207.CB, (T0339)I237.CB) [> 4.7748 = 7.9581 < 10.3455] w=0.0134 to align # Constraint # added constraint: constraint((T0339)F224.CB, (T0339)A239.CB) [> 4.3397 = 7.2328 < 9.4026] w=0.0134 to align # Constraint # added constraint: constraint((T0339)T226.CB, (T0339)I237.CB) [> 2.7476 = 4.5794 < 5.9532] w=0.0134 to align # Constraint # added constraint: constraint((T0339)W27.CB, (T0339)S38.CB) [> 4.0375 = 6.7292 < 8.7480] w=0.0134 to align # Constraint # added constraint: constraint((T0339)V371.CB, (T0339)A385.CB) [> 3.9475 = 6.5792 < 8.5530] w=0.0134 to align # Constraint # added constraint: constraint((T0339)F310.CB, (T0339)L413.CB) [> 4.7333 = 7.8888 < 10.2554] w=0.0134 to align # Constraint # added constraint: constraint((T0339)F110.CB, (T0339)L167.CB) [> 4.0300 = 6.7167 < 8.7317] w=0.0134 to align # Constraint # added constraint: constraint((T0339)V163.CB, (T0339)R192.CB) [> 4.4679 = 7.4465 < 9.6805] w=0.0134 to align # Constraint # added constraint: constraint((T0339)Y375.CB, (T0339)A385.CB) [> 4.5996 = 7.6660 < 9.9658] w=0.0134 to align # Constraint # added constraint: constraint((T0339)A358.CB, (T0339)S393.CB) [> 3.5178 = 5.8629 < 7.6218] w=0.0134 to align # Constraint # added constraint: constraint((T0339)L201.CB, (T0339)Q260.CB) [> 3.1234 = 5.2057 < 6.7674] w=0.0134 to align # Constraint # added constraint: constraint((T0339)K3.CB, (T0339)V356.CB) [> 2.5838 = 4.3063 < 5.5982] w=0.0134 to align # Constraint # added constraint: constraint((T0339)Y5.CB, (T0339)V356.CB) [> 2.9617 = 4.9361 < 6.4170] w=0.0134 to align # Constraint # added constraint: constraint((T0339)S113.CB, (T0339)E171.CB) [> 4.5329 = 7.5548 < 9.8212] w=0.0134 to align # Constraint # added constraint: constraint((T0339)V115.CB, (T0339)V356.CB) [> 3.8860 = 6.4767 < 8.4197] w=0.0134 to align # Constraint # added constraint: constraint((T0339)E171.CB, (T0339)V356.CB) [> 3.3789 = 5.6315 < 7.3209] w=0.0134 to align # Constraint # added constraint: constraint((T0339)N332.CB, (T0339)V356.CB) [> 4.2064 = 7.0107 < 9.1139] w=0.0134 to align # Constraint # added constraint: constraint((T0339)P13.CB, (T0339)T395.CB) [> 3.9618 = 6.6031 < 8.5840] w=0.0134 to align # Constraint # added constraint: constraint((T0339)V156.CB, (T0339)P199.CB) [> 3.8753 = 6.4589 < 8.3966] w=0.0133 to align # Constraint # added constraint: constraint((T0339)A207.CB, (T0339)N329.CB) [> 4.0179 = 6.6965 < 8.7055] w=0.0133 to align # Constraint # added constraint: constraint((T0339)A207.CB, (T0339)T330.CB) [> 4.6994 = 7.8323 < 10.1820] w=0.0133 to align # Constraint # added constraint: constraint((T0339)V228.CB, (T0339)S355.CB) [> 4.5761 = 7.6268 < 9.9148] w=0.0126 to align # Constraint # added constraint: constraint((T0339)N329.CB, (T0339)V356.CB) [> 4.4476 = 7.4127 < 9.6365] w=0.0126 to align # Constraint # added constraint: constraint((T0339)M353.CB, (T0339)E414.CB) [> 3.6915 = 6.1525 < 7.9983] w=0.0115 to align # Constraint # added constraint: constraint((T0339)Y37.CB, (T0339)A239.CB) [> 4.2495 = 7.0826 < 9.2073] w=0.0074 to align # Constraint # added constraint: constraint((T0339)V115.CB, (T0339)D205.CB) [> 4.0272 = 6.7121 < 8.7257] w=0.0067 to align # Constraint # added constraint: constraint((T0339)I335.CB, (T0339)S355.CB) [> 4.5781 = 7.6302 < 9.9192] w=0.0067 to align # Constraint # added constraint: constraint((T0339)Q208.CB, (T0339)A239.CB) [> 4.1087 = 6.8478 < 8.9021] w=0.0067 to align # Constraint # added constraint: constraint((T0339)Y5.CB, (T0339)L388.CB) [> 3.2828 = 5.4714 < 7.1128] w=0.0067 to align # Constraint # added constraint: constraint((T0339)I66.CB, (T0339)L245.CB) [> 3.3502 = 5.5836 < 7.2587] w=0.0067 to align # Constraint # added constraint: constraint((T0339)L77.CB, (T0339)L245.CB) [> 2.8530 = 4.7550 < 6.1814] w=0.0067 to align # Constraint # added constraint: constraint((T0339)R2.CB, (T0339)S355.CB) [> 2.6277 = 4.3796 < 5.6934] w=0.0067 to align # Constraint # added constraint: constraint((T0339)V175.CB, (T0339)A207.CB) [> 2.8838 = 4.8063 < 6.2482] w=0.0067 to align # Constraint # added constraint: constraint((T0339)H109.CB, (T0339)V163.CB) [> 4.4523 = 7.4205 < 9.6467] w=0.0067 to align # Constraint # added constraint: constraint((T0339)H109.CB, (T0339)T164.CB) [> 4.2006 = 7.0010 < 9.1013] w=0.0067 to align # Constraint # added constraint: constraint((T0339)F110.CB, (T0339)V156.CB) [> 4.3877 = 7.3129 < 9.5067] w=0.0067 to align # Constraint # added constraint: constraint((T0339)A39.CB, (T0339)I237.CB) [> 4.7224 = 7.8706 < 10.2318] w=0.0067 to align # Constraint # added constraint: constraint((T0339)K3.CB, (T0339)P13.CB) [> 4.7672 = 7.9453 < 10.3289] w=0.0067 to align # Constraint # added constraint: constraint((T0339)S38.CB, (T0339)K61.CB) [> 4.4603 = 7.4339 < 9.6641] w=0.0067 to align # Constraint # added constraint: constraint((T0339)A39.CB, (T0339)L245.CB) [> 2.5296 = 4.2160 < 5.4808] w=0.0067 to align # Constraint # added constraint: constraint((T0339)L373.CB, (T0339)N384.CB) [> 4.0338 = 6.7231 < 8.7400] w=0.0067 to align # Constraint # added constraint: constraint((T0339)A39.CB, (T0339)A239.CB) [> 4.4024 = 7.3373 < 9.5385] w=0.0067 to align # Constraint # added constraint: constraint((T0339)V82.CB, (T0339)V163.CB) [> 3.6586 = 6.0976 < 7.9269] w=0.0067 to align # Constraint # added constraint: constraint((T0339)A168.CB, (T0339)H203.CB) [> 4.7443 = 7.9072 < 10.2794] w=0.0067 to align # Constraint # added constraint: constraint((T0339)F67.CB, (T0339)T226.CB) [> 4.6447 = 7.7411 < 10.0635] w=0.0067 to align # Constraint # added constraint: constraint((T0339)T172.CB, (T0339)V356.CB) [> 4.7973 = 7.9956 < 10.3942] w=0.0067 to align # Constraint # added constraint: constraint((T0339)T330.CB, (T0339)S393.CB) [> 4.7855 = 7.9758 < 10.3686] w=0.0007 to align # SetCost created cost = # ( 1.0000 * align ) # command:# Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0339/ # command:# reading script from file servers-clean.under # Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0339/decoys/ # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0339 can't currently be optimized by undertaker # copying to AlignedFragments data structure # 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 T0339 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 T0339 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 T0339 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 T0339 can't currently be optimized by undertaker # copying to AlignedFragments data structure # 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 T0339 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 T0339 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 T0339 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 T0339 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 T0339 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 T0339 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 T0339 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 T0339 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 T0339 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 T0339 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS5 # ReadConformPDB reading from PDB file servers/3Dpro_TS1.pdb.gz looking for model 1 # Found a chain break before 315 # 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 320 # 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 327 # 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 339 # 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 266 # 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 396 # 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 288 # 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 400 # 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 401 # 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 307 # 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 363 # 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 339 # 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 321 # 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 350 # 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 355 # 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 329 # 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 400 # 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 T0339 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0339 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS3 # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0339 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS4 # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # Found a chain break before 391 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS5 # ReadConformPDB reading from PDB file servers/CPHmodels_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0339 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 # WARNING: incomplete conformation T0339 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0339 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0339 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 T0339 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 T0339 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 T0339 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 T0339 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 T0339 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 T0339 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 T0339 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 415 # 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 T0339 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # ReadConformPDB reading from PDB file servers/FAMSD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0339 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 T0339 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 T0339 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 413 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # Found a chain break before 400 # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # ReadConformPDB reading from PDB file servers/FAMS_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0339 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMS_TS3 # ReadConformPDB reading from PDB file servers/FAMS_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0339 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # ReadConformPDB reading from PDB file servers/FAMS_TS5.pdb.gz looking for model 1 # Found a chain break before 415 # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # ReadConformPDB reading from PDB file servers/FOLDpro_TS1.pdb.gz looking for model 1 # Found a chain break before 245 # 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 307 # 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 307 # 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 321 # 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 315 # 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 T0339 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 T0339 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 T0339 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 T0339 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 # WARNING: incomplete conformation T0339 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 T0339 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 T0339 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 T0339 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 T0339 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 Skipped atom 278, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 280, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 282, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 284, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 626, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 628, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 630, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 632, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz # WARNING: incomplete conformation T0339 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 415 # 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 415 # 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 403 # 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 393 # 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 415 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0339 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS1 # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0339 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS2 # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0339 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS3 # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # Found a chain break before 396 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS4 # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # Found a chain break before 390 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS5 # ReadConformPDB reading from PDB file servers/FUGUE_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0339 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 T0339 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 T0339 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 T0339 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 T0339 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 400 # 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 415 # 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 411 # 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 412 # 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 415 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # Found a chain break before 378 # 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 T0339 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0339 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS3 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # Found a chain break before 374 # 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 T0339 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 343 # 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 391 # 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 391 # 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 T0339 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 T0339 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 T0339 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 T0339 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 T0339 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 383 # 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 T0339 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 T0339 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # ReadConformPDB reading from PDB file servers/LOOPP_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0339 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 T0339 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS1.pdb.gz looking for model 1 # Found a chain break before 370 # 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 371 # 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 378 # 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 410 # 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 330 # 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 368 # 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 373 # 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 368 # 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 371 # 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 378 # 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 414 # 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 389 # 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 405 # 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 394 # 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 394 # 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 # WARNING: incomplete conformation T0339 can't currently be optimized by undertaker # 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 385 # 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 384 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0339 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS3 # ReadConformPDB reading from PDB file servers/PROTINFO_TS4.pdb.gz looking for model 1 # Found a chain break before 383 # 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 359 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # ReadConformPDB reading from PDB file servers/Pcons6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0339 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS1 # ReadConformPDB reading from PDB file servers/Pcons6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0339 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # ReadConformPDB reading from PDB file servers/Pcons6_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0339 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS3 # ReadConformPDB reading from PDB file servers/Pcons6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0339 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS4 # ReadConformPDB reading from PDB file servers/Pcons6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0339 can't currently be optimized by undertaker # naming current conformation Pcons6_TS5 # ReadConformPDB reading from PDB file servers/Phyre-1_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0339 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 # Found a chain break before 413 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # ReadConformPDB reading from PDB file servers/Phyre-2_TS2.pdb.gz looking for model 1 # Found a chain break before 413 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # ReadConformPDB reading from PDB file servers/Phyre-2_TS3.pdb.gz looking for model 1 # Found a chain break before 413 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # ReadConformPDB reading from PDB file servers/Phyre-2_TS4.pdb.gz looking for model 1 # Found a chain break before 413 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # ReadConformPDB reading from PDB file servers/Phyre-2_TS5.pdb.gz looking for model 1 # Found a chain break before 413 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0339 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS1 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0339 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS2 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0339 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS3 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0339 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS4 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0339 can't currently be optimized by undertaker # 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 384 # 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 371 # 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 382 # 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 384 # 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 379 # 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 377 # 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 367 # 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 367 # 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 385 # 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 321 # 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 370 # 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 366 # 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 355 # 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 384 # 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 384 # 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 345 # 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 351 # 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 341 # 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 343 # 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 390 # 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 321 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 # Found a chain break before 356 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # ReadConformPDB reading from PDB file servers/ROKKY_TS3.pdb.gz looking for model 1 # Found a chain break before 376 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # ReadConformPDB reading from PDB file servers/ROKKY_TS4.pdb.gz looking for model 1 # Found a chain break before 362 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # ReadConformPDB reading from PDB file servers/ROKKY_TS5.pdb.gz looking for model 1 # Found a chain break before 231 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # ReadConformPDB reading from PDB file servers/SAM-T02_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0339 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 T0339 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 T0339 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 T0339 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 T0339 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 T0339 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 T0339 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 T0339 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 T0339 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 T0339 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 392 # 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 T0339 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 T0339 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 T0339 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 T0339 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 371 # 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 384 # 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 356 # 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 382 # 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 392 # 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 369 # 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 381 # 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 356 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # ReadConformPDB reading from PDB file servers/SP4_TS4.pdb.gz looking for model 1 # Found a chain break before 386 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # ReadConformPDB reading from PDB file servers/SP4_TS5.pdb.gz looking for model 1 # Found a chain break before 350 # 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 371 # 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 374 # 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 356 # 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 384 # 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 361 # 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 T0339 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 T0339 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 T0339 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 T0339 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 T0339 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 T0339 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 T0339 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 T0339 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 T0339 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 T0339 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 T0339 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 374 # 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 360 # 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 367 # 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 383 # 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 383 # 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 415 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # ReadConformPDB reading from PDB file servers/beautshotbase_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0339 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # ReadConformPDB reading from PDB file servers/forecast-s_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0339 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 T0339 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 T0339 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 # WARNING: incomplete conformation T0339 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 T0339 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # ReadConformPDB reading from PDB file servers/gtg_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0339 can't currently be optimized by undertaker # naming current conformation gtg_AL1 # ReadConformPDB reading from PDB file servers/gtg_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0339 can't currently be optimized by undertaker # naming current conformation gtg_AL2 # ReadConformPDB reading from PDB file servers/gtg_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0339 can't currently be optimized by undertaker # naming current conformation gtg_AL3 # ReadConformPDB reading from PDB file servers/gtg_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0339 can't currently be optimized by undertaker # naming current conformation gtg_AL4 # ReadConformPDB reading from PDB file servers/gtg_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0339 can't currently be optimized by undertaker # naming current conformation gtg_AL5 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # Found a chain break before 376 # 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 329 # 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 # Found a chain break before 329 # copying to AlignedFragments data structure # 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 329 # 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 354 # 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: (T0339)L162.O and (T0339)V163.N only 0.000 apart, marking (T0339)V163.N as missing WARNING: atoms too close: (T0339)V202.O and (T0339)H203.N only 0.000 apart, marking (T0339)H203.N as missing # WARNING: incomplete conformation T0339 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 # Found a chain break before 415 # 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 WARNING: atoms too close: (T0339)Y252.O and (T0339)P253.N only 0.000 apart, marking (T0339)P253.N as missing WARNING: atoms too close: (T0339)M353.O and (T0339)A354.N only 0.000 apart, marking (T0339)A354.N as missing # WARNING: incomplete conformation T0339 can't currently be optimized by undertaker # 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 WARNING: atoms too close: (T0339)W27.O and (T0339)E28.N only 0.000 apart, marking (T0339)E28.N as missing WARNING: atoms too close: (T0339)T159.O and (T0339)T160.N only 0.000 apart, marking (T0339)T160.N as missing WARNING: atoms too close: (T0339)G337.O and (T0339)P338.N only 0.000 apart, marking (T0339)P338.N as missing WARNING: atoms too close: (T0339)R350.O and (T0339)V351.N only 0.000 apart, marking (T0339)V351.N as missing # WARNING: incomplete conformation T0339 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # ReadConformPDB reading from PDB file servers/karypis.srv_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0339 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 T0339 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 T0339 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 T0339 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 # Found a chain break before 385 # copying to AlignedFragments data structure # 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 # 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 # 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 101 # 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 T0339 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 T0339 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 T0339 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: incomplete conformation T0339 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: incomplete conformation T0339 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: incomplete conformation T0339 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: (T0339)N89.N and (T0339)Q90.N only 0.000 apart, marking (T0339)Q90.N as missing WARNING: atoms too close: (T0339)N89.CA and (T0339)Q90.CA only 0.000 apart, marking (T0339)Q90.CA as missing WARNING: atoms too close: (T0339)N89.CB and (T0339)Q90.CB only 0.000 apart, marking (T0339)Q90.CB as missing WARNING: atoms too close: (T0339)N89.O and (T0339)Q90.O only 0.000 apart, marking (T0339)Q90.O as missing WARNING: atoms too close: (T0339)N89.C and (T0339)Q90.C only 0.000 apart, marking (T0339)Q90.C as missing WARNING: atoms too close: (T0339)Q90.N and (T0339)T91.N only 0.000 apart, marking (T0339)Q90.N as missing WARNING: atoms too close: (T0339)N89.N and (T0339)T91.N only 0.000 apart, marking (T0339)T91.N as missing WARNING: atoms too close: (T0339)Q90.CA and (T0339)T91.CA only 0.000 apart, marking (T0339)T91.CA as missing WARNING: atoms too close: (T0339)N89.CA and (T0339)T91.CA only 0.000 apart, marking (T0339)T91.CA as missing WARNING: atoms too close: (T0339)Q90.CB and (T0339)T91.CB only 0.000 apart, marking (T0339)T91.CB as missing WARNING: atoms too close: (T0339)N89.CB and (T0339)T91.CB only 0.000 apart, marking (T0339)T91.CB as missing WARNING: atoms too close: (T0339)Q90.O and (T0339)T91.O only 0.000 apart, marking (T0339)T91.O as missing WARNING: atoms too close: (T0339)N89.O and (T0339)T91.O only 0.000 apart, marking (T0339)T91.O as missing WARNING: atoms too close: (T0339)Q90.C and (T0339)T91.C only 0.000 apart, marking (T0339)T91.C as missing WARNING: atoms too close: (T0339)N89.C and (T0339)T91.C only 0.000 apart, marking (T0339)T91.C as missing WARNING: atoms too close: (T0339)T91.N and (T0339)S92.N only 0.000 apart, marking (T0339)T91.N as missing WARNING: atoms too close: (T0339)Q90.N and (T0339)S92.N only 0.000 apart, marking (T0339)Q90.N as missing WARNING: atoms too close: (T0339)N89.N and (T0339)S92.N only 0.000 apart, marking (T0339)S92.N as missing WARNING: atoms too close: (T0339)T91.CA and (T0339)S92.CA only 0.000 apart, marking (T0339)S92.CA as missing WARNING: atoms too close: (T0339)Q90.CA and (T0339)S92.CA only 0.000 apart, marking (T0339)S92.CA as missing WARNING: atoms too close: (T0339)N89.CA and (T0339)S92.CA only 0.000 apart, marking (T0339)S92.CA as missing WARNING: atoms too close: (T0339)T91.CB and (T0339)S92.CB only 0.000 apart, marking (T0339)S92.CB as missing WARNING: atoms too close: (T0339)Q90.CB and (T0339)S92.CB only 0.000 apart, marking (T0339)S92.CB as missing WARNING: atoms too close: (T0339)N89.CB and (T0339)S92.CB only 0.000 apart, marking (T0339)S92.CB as missing WARNING: atoms too close: (T0339)T91.O and (T0339)S92.O only 0.000 apart, marking (T0339)S92.O as missing WARNING: atoms too close: (T0339)Q90.O and (T0339)S92.O only 0.000 apart, marking (T0339)S92.O as missing WARNING: atoms too close: (T0339)N89.O and (T0339)S92.O only 0.000 apart, marking (T0339)S92.O as missing WARNING: atoms too close: (T0339)T91.C and (T0339)S92.C only 0.000 apart, marking (T0339)S92.C as missing WARNING: atoms too close: (T0339)Q90.C and (T0339)S92.C only 0.000 apart, marking (T0339)S92.C as missing WARNING: atoms too close: (T0339)N89.C and (T0339)S92.C only 0.000 apart, marking (T0339)S92.C as missing WARNING: atoms too close: (T0339)S92.N and (T0339)K93.N only 0.000 apart, marking (T0339)S92.N as missing WARNING: atoms too close: (T0339)T91.N and (T0339)K93.N only 0.000 apart, marking (T0339)T91.N as missing WARNING: atoms too close: (T0339)Q90.N and (T0339)K93.N only 0.000 apart, marking (T0339)Q90.N as missing WARNING: atoms too close: (T0339)N89.N and (T0339)K93.N only 0.000 apart, marking (T0339)K93.N as missing WARNING: atoms too close: (T0339)S92.CA and (T0339)K93.CA only 0.000 apart, marking (T0339)K93.CA as missing WARNING: atoms too close: (T0339)T91.CA and (T0339)K93.CA only 0.000 apart, marking (T0339)K93.CA as missing WARNING: atoms too close: (T0339)Q90.CA and (T0339)K93.CA only 0.000 apart, marking (T0339)K93.CA as missing WARNING: atoms too close: (T0339)N89.CA and (T0339)K93.CA only 0.000 apart, marking (T0339)K93.CA as missing WARNING: atoms too close: (T0339)S92.CB and (T0339)K93.CB only 0.000 apart, marking (T0339)K93.CB as missing WARNING: atoms too close: (T0339)T91.CB and (T0339)K93.CB only 0.000 apart, marking (T0339)K93.CB as missing WARNING: atoms too close: (T0339)Q90.CB and (T0339)K93.CB only 0.000 apart, marking (T0339)K93.CB as missing WARNING: atoms too close: (T0339)N89.CB and (T0339)K93.CB only 0.000 apart, marking (T0339)K93.CB as missing WARNING: atoms too close: (T0339)S92.O and (T0339)K93.O only 0.000 apart, marking (T0339)K93.O as missing WARNING: atoms too close: (T0339)T91.O and (T0339)K93.O only 0.000 apart, marking (T0339)K93.O as missing WARNING: atoms too close: (T0339)Q90.O and (T0339)K93.O only 0.000 apart, marking (T0339)K93.O as missing WARNING: atoms too close: (T0339)N89.O and (T0339)K93.O only 0.000 apart, marking (T0339)K93.O as missing WARNING: atoms too close: (T0339)S92.C and (T0339)K93.C only 0.000 apart, marking (T0339)K93.C as missing WARNING: atoms too close: (T0339)T91.C and (T0339)K93.C only 0.000 apart, marking (T0339)K93.C as missing WARNING: atoms too close: (T0339)Q90.C and (T0339)K93.C only 0.000 apart, marking (T0339)K93.C as missing WARNING: atoms too close: (T0339)N89.C and (T0339)K93.C only 0.000 apart, marking (T0339)K93.C as missing WARNING: atoms too close: (T0339)K93.N and (T0339)G94.N only 0.000 apart, marking (T0339)K93.N as missing WARNING: atoms too close: (T0339)S92.N and (T0339)G94.N only 0.000 apart, marking (T0339)S92.N as missing WARNING: atoms too close: (T0339)T91.N and (T0339)G94.N only 0.000 apart, marking (T0339)T91.N as missing WARNING: atoms too close: (T0339)Q90.N and (T0339)G94.N only 0.000 apart, marking (T0339)Q90.N as missing WARNING: atoms too close: (T0339)N89.N and (T0339)G94.N only 0.000 apart, marking (T0339)G94.N as missing WARNING: atoms too close: (T0339)K93.CA and (T0339)G94.CA only 0.000 apart, marking (T0339)G94.CA as missing WARNING: atoms too close: (T0339)S92.CA and (T0339)G94.CA only 0.000 apart, marking (T0339)G94.CA as missing WARNING: atoms too close: (T0339)T91.CA and (T0339)G94.CA only 0.000 apart, marking (T0339)G94.CA as missing WARNING: atoms too close: (T0339)Q90.CA and (T0339)G94.CA only 0.000 apart, marking (T0339)G94.CA as missing WARNING: atoms too close: (T0339)N89.CA and (T0339)G94.CA only 0.000 apart, marking (T0339)G94.CA as missing WARNING: atoms too close: (T0339)K93.O and (T0339)G94.O only 0.000 apart, marking (T0339)G94.O as missing WARNING: atoms too close: (T0339)S92.O and (T0339)G94.O only 0.000 apart, marking (T0339)G94.O as missing WARNING: atoms too close: (T0339)T91.O and (T0339)G94.O only 0.000 apart, marking (T0339)G94.O as missing WARNING: atoms too close: (T0339)Q90.O and (T0339)G94.O only 0.000 apart, marking (T0339)G94.O as missing WARNING: atoms too close: (T0339)N89.O and (T0339)G94.O only 0.000 apart, marking (T0339)G94.O as missing WARNING: atoms too close: (T0339)K93.C and (T0339)G94.C only 0.000 apart, marking (T0339)G94.C as missing WARNING: atoms too close: (T0339)S92.C and (T0339)G94.C only 0.000 apart, marking (T0339)G94.C as missing WARNING: atoms too close: (T0339)T91.C and (T0339)G94.C only 0.000 apart, marking (T0339)G94.C as missing WARNING: atoms too close: (T0339)Q90.C and (T0339)G94.C only 0.000 apart, marking (T0339)G94.C as missing WARNING: atoms too close: (T0339)N89.C and (T0339)G94.C only 0.000 apart, marking (T0339)G94.C as missing WARNING: atoms too close: (T0339)G94.N and (T0339)H95.N only 0.000 apart, marking (T0339)G94.N as missing WARNING: atoms too close: (T0339)K93.N and (T0339)H95.N only 0.000 apart, marking (T0339)K93.N as missing WARNING: atoms too close: (T0339)S92.N and (T0339)H95.N only 0.000 apart, marking (T0339)S92.N as missing WARNING: atoms too close: (T0339)T91.N and (T0339)H95.N only 0.000 apart, marking (T0339)T91.N as missing WARNING: atoms too close: (T0339)Q90.N and (T0339)H95.N only 0.000 apart, marking (T0339)Q90.N as missing WARNING: atoms too close: (T0339)N89.N and (T0339)H95.N only 0.000 apart, marking (T0339)H95.N as missing WARNING: atoms too close: (T0339)G94.CA and (T0339)H95.CA only 0.000 apart, marking (T0339)H95.CA as missing WARNING: atoms too close: (T0339)K93.CA and (T0339)H95.CA only 0.000 apart, marking (T0339)H95.CA as missing WARNING: atoms too close: (T0339)S92.CA and (T0339)H95.CA only 0.000 apart, marking (T0339)H95.CA as missing WARNING: atoms too close: (T0339)T91.CA and (T0339)H95.CA only 0.000 apart, marking (T0339)H95.CA as missing WARNING: atoms too close: (T0339)Q90.CA and (T0339)H95.CA only 0.000 apart, marking (T0339)H95.CA as missing WARNING: atoms too close: (T0339)N89.CA and (T0339)H95.CA only 0.000 apart, marking (T0339)H95.CA as missing WARNING: atoms too close: (T0339)K93.CB and (T0339)H95.CB only 0.000 apart, marking (T0339)H95.CB as missing WARNING: atoms too close: (T0339)S92.CB and (T0339)H95.CB only 0.000 apart, marking (T0339)H95.CB as missing WARNING: atoms too close: (T0339)T91.CB and (T0339)H95.CB only 0.000 apart, marking (T0339)H95.CB as missing WARNING: atoms too close: (T0339)Q90.CB and (T0339)H95.CB only 0.000 apart, marking (T0339)H95.CB as missing WARNING: atoms too close: (T0339)N89.CB and (T0339)H95.CB only 0.000 apart, marking (T0339)H95.CB as missing WARNING: atoms too close: (T0339)G94.O and (T0339)H95.O only 0.000 apart, marking (T0339)H95.O as missing WARNING: atoms too close: (T0339)K93.O and (T0339)H95.O only 0.000 apart, marking (T0339)H95.O as missing WARNING: atoms too close: (T0339)S92.O and (T0339)H95.O only 0.000 apart, marking (T0339)H95.O as missing WARNING: atoms too close: (T0339)T91.O and (T0339)H95.O only 0.000 apart, marking (T0339)H95.O as missing WARNING: atoms too close: (T0339)Q90.O and (T0339)H95.O only 0.000 apart, marking (T0339)H95.O as missing WARNING: atoms too close: (T0339)N89.O and (T0339)H95.O only 0.000 apart, marking (T0339)H95.O as missing WARNING: atoms too close: (T0339)G94.C and (T0339)H95.C only 0.000 apart, marking (T0339)H95.C as missing WARNING: atoms too close: (T0339)K93.C and (T0339)H95.C only 0.000 apart, marking (T0339)H95.C as missing WARNING: atoms too close: (T0339)S92.C and (T0339)H95.C only 0.000 apart, marking (T0339)H95.C as missing WARNING: atoms too close: (T0339)T91.C and (T0339)H95.C only 0.000 apart, marking (T0339)H95.C as missing WARNING: atoms too close: (T0339)Q90.C and (T0339)H95.C only 0.000 apart, marking (T0339)H95.C as missing WARNING: atoms too close: (T0339)N89.C and (T0339)H95.C only 0.000 apart, marking (T0339)H95.C as missing WARNING: atoms too close: (T0339)H95.N and (T0339)T96.N only 0.000 apart, marking (T0339)H95.N as missing WARNING: atoms too close: (T0339)G94.N and (T0339)T96.N only 0.000 apart, marking (T0339)G94.N as missing WARNING: atoms too close: (T0339)K93.N and (T0339)T96.N only 0.000 apart, marking (T0339)K93.N as missing WARNING: atoms too close: (T0339)S92.N and (T0339)T96.N only 0.000 apart, marking (T0339)S92.N as missing WARNING: atoms too close: (T0339)T91.N and (T0339)T96.N only 0.000 apart, marking (T0339)T91.N as missing WARNING: atoms too close: (T0339)Q90.N and (T0339)T96.N only 0.000 apart, marking (T0339)Q90.N as missing WARNING: atoms too close: (T0339)N89.N and (T0339)T96.N only 0.000 apart, marking (T0339)T96.N as missing WARNING: atoms too close: (T0339)H95.CA and (T0339)T96.CA only 0.000 apart, marking (T0339)T96.CA as missing WARNING: atoms too close: (T0339)G94.CA and (T0339)T96.CA only 0.000 apart, marking (T0339)T96.CA as missing WARNING: atoms too close: (T0339)K93.CA and (T0339)T96.CA only 0.000 apart, marking (T0339)T96.CA as missing WARNING: atoms too close: (T0339)S92.CA and (T0339)T96.CA only 0.000 apart, marking (T0339)T96.CA as missing WARNING: atoms too close: (T0339)T91.CA and (T0339)T96.CA only 0.000 apart, marking (T0339)T96.CA as missing WARNING: atoms too close: (T0339)Q90.CA and (T0339)T96.CA only 0.000 apart, marking (T0339)T96.CA as missing WARNING: atoms too close: (T0339)N89.CA and (T0339)T96.CA only 0.000 apart, marking (T0339)T96.CA as missing WARNING: atoms too close: (T0339)H95.CB and (T0339)T96.CB only 0.000 apart, marking (T0339)T96.CB as missing WARNING: atoms too close: (T0339)K93.CB and (T0339)T96.CB only 0.000 apart, marking (T0339)T96.CB as missing WARNING: atoms too close: (T0339)S92.CB and (T0339)T96.CB only 0.000 apart, marking (T0339)T96.CB as missing WARNING: atoms too close: (T0339)T91.CB and (T0339)T96.CB only 0.000 apart, marking (T0339)T96.CB as missing WARNING: atoms too close: (T0339)Q90.CB and (T0339)T96.CB only 0.000 apart, marking (T0339)T96.CB as missing WARNING: atoms too close: (T0339)N89.CB and (T0339)T96.CB only 0.000 apart, marking (T0339)T96.CB as missing WARNING: atoms too close: (T0339)H95.O and (T0339)T96.O only 0.000 apart, marking (T0339)T96.O as missing WARNING: atoms too close: (T0339)G94.O and (T0339)T96.O only 0.000 apart, marking (T0339)T96.O as missing WARNING: atoms too close: (T0339)K93.O and (T0339)T96.O only 0.000 apart, marking (T0339)T96.O as missing WARNING: atoms too close: (T0339)S92.O and (T0339)T96.O only 0.000 apart, marking (T0339)T96.O as missing WARNING: atoms too close: (T0339)T91.O and (T0339)T96.O only 0.000 apart, marking (T0339)T96.O as missing WARNING: atoms too close: (T0339)Q90.O and (T0339)T96.O only 0.000 apart, marking (T0339)T96.O as missing WARNING: atoms too close: (T0339)N89.O and (T0339)T96.O only 0.000 apart, marking (T0339)T96.O as missing WARNING: atoms too close: (T0339)H95.C and (T0339)T96.C only 0.000 apart, marking (T0339)T96.C as missing WARNING: atoms too close: (T0339)G94.C and (T0339)T96.C only 0.000 apart, marking (T0339)T96.C as missing WARNING: atoms too close: (T0339)K93.C and (T0339)T96.C only 0.000 apart, marking (T0339)T96.C as missing WARNING: atoms too close: (T0339)S92.C and (T0339)T96.C only 0.000 apart, marking (T0339)T96.C as missing WARNING: atoms too close: (T0339)T91.C and (T0339)T96.C only 0.000 apart, marking (T0339)T96.C as missing WARNING: atoms too close: (T0339)Q90.C and (T0339)T96.C only 0.000 apart, marking (T0339)T96.C as missing WARNING: atoms too close: (T0339)N89.C and (T0339)T96.C only 0.000 apart, marking (T0339)T96.C as missing WARNING: atoms too close: (T0339)T96.N and (T0339)G97.N only 0.000 apart, marking (T0339)T96.N as missing WARNING: atoms too close: (T0339)H95.N and (T0339)G97.N only 0.000 apart, marking (T0339)H95.N as missing WARNING: atoms too close: (T0339)G94.N and (T0339)G97.N only 0.000 apart, marking (T0339)G94.N as missing WARNING: atoms too close: (T0339)K93.N and (T0339)G97.N only 0.000 apart, marking (T0339)K93.N as missing WARNING: atoms too close: (T0339)S92.N and (T0339)G97.N only 0.000 apart, marking (T0339)S92.N as missing WARNING: atoms too close: (T0339)T91.N and (T0339)G97.N only 0.000 apart, marking (T0339)T91.N as missing WARNING: atoms too close: (T0339)Q90.N and (T0339)G97.N only 0.000 apart, marking (T0339)Q90.N as missing WARNING: atoms too close: (T0339)N89.N and (T0339)G97.N only 0.000 apart, marking (T0339)G97.N as missing WARNING: atoms too close: (T0339)T96.CA and (T0339)G97.CA only 0.000 apart, marking (T0339)G97.CA as missing WARNING: atoms too close: (T0339)H95.CA and (T0339)G97.CA only 0.000 apart, marking (T0339)G97.CA as missing WARNING: atoms too close: (T0339)G94.CA and (T0339)G97.CA only 0.000 apart, marking (T0339)G97.CA as missing WARNING: atoms too close: (T0339)K93.CA and (T0339)G97.CA only 0.000 apart, marking (T0339)G97.CA as missing WARNING: atoms too close: (T0339)S92.CA and (T0339)G97.CA only 0.000 apart, marking (T0339)G97.CA as missing WARNING: atoms too close: (T0339)T91.CA and (T0339)G97.CA only 0.000 apart, marking (T0339)G97.CA as missing WARNING: atoms too close: (T0339)Q90.CA and (T0339)G97.CA only 0.000 apart, marking (T0339)G97.CA as missing WARNING: atoms too close: (T0339)N89.CA and (T0339)G97.CA only 0.000 apart, marking (T0339)G97.CA as missing WARNING: atoms too close: (T0339)T96.O and (T0339)G97.O only 0.000 apart, marking (T0339)G97.O as missing WARNING: atoms too close: (T0339)H95.O and (T0339)G97.O only 0.000 apart, marking (T0339)G97.O as missing WARNING: atoms too close: (T0339)G94.O and (T0339)G97.O only 0.000 apart, marking (T0339)G97.O as missing WARNING: atoms too close: (T0339)K93.O and (T0339)G97.O only 0.000 apart, marking (T0339)G97.O as missing WARNING: atoms too close: (T0339)S92.O and (T0339)G97.O only 0.000 apart, marking (T0339)G97.O as missing WARNING: atoms too close: (T0339)T91.O and (T0339)G97.O only 0.000 apart, marking (T0339)G97.O as missing WARNING: atoms too close: (T0339)Q90.O and (T0339)G97.O only 0.000 apart, marking (T0339)G97.O as missing WARNING: atoms too close: (T0339)N89.O and (T0339)G97.O only 0.000 apart, marking (T0339)G97.O as missing WARNING: atoms too close: (T0339)T96.C and (T0339)G97.C only 0.000 apart, marking (T0339)G97.C as missing WARNING: atoms too close: (T0339)H95.C and (T0339)G97.C only 0.000 apart, marking (T0339)G97.C as missing WARNING: atoms too close: (T0339)G94.C and (T0339)G97.C only 0.000 apart, marking (T0339)G97.C as missing WARNING: atoms too close: (T0339)K93.C and (T0339)G97.C only 0.000 apart, marking (T0339)G97.C as missing WARNING: atoms too close: (T0339)S92.C and (T0339)G97.C only 0.000 apart, marking (T0339)G97.C as missing WARNING: atoms too close: (T0339)T91.C and (T0339)G97.C only 0.000 apart, marking (T0339)G97.C as missing WARNING: atoms too close: (T0339)Q90.C and (T0339)G97.C only 0.000 apart, marking (T0339)G97.C as missing WARNING: atoms too close: (T0339)N89.C and (T0339)G97.C only 0.000 apart, marking (T0339)G97.C as missing WARNING: atoms too close: (T0339)G97.N and (T0339)G98.N only 0.000 apart, marking (T0339)G97.N as missing WARNING: atoms too close: (T0339)T96.N and (T0339)G98.N only 0.000 apart, marking (T0339)T96.N as missing WARNING: atoms too close: (T0339)H95.N and (T0339)G98.N only 0.000 apart, marking (T0339)H95.N as missing WARNING: atoms too close: (T0339)G94.N and (T0339)G98.N only 0.000 apart, marking (T0339)G94.N as missing WARNING: atoms too close: (T0339)K93.N and (T0339)G98.N only 0.000 apart, marking (T0339)K93.N as missing WARNING: atoms too close: (T0339)S92.N and (T0339)G98.N only 0.000 apart, marking (T0339)S92.N as missing WARNING: atoms too close: (T0339)T91.N and (T0339)G98.N only 0.000 apart, marking (T0339)T91.N as missing WARNING: atoms too close: (T0339)Q90.N and (T0339)G98.N only 0.000 apart, marking (T0339)Q90.N as missing WARNING: atoms too close: (T0339)N89.N and (T0339)G98.N only 0.000 apart, marking (T0339)G98.N as missing WARNING: atoms too close: (T0339)G97.CA and (T0339)G98.CA only 0.000 apart, marking (T0339)G98.CA as missing WARNING: atoms too close: (T0339)T96.CA and (T0339)G98.CA only 0.000 apart, marking (T0339)G98.CA as missing WARNING: atoms too close: (T0339)H95.CA and (T0339)G98.CA only 0.000 apart, marking (T0339)G98.CA as missing WARNING: atoms too close: (T0339)G94.CA and (T0339)G98.CA only 0.000 apart, marking (T0339)G98.CA as missing WARNING: atoms too close: (T0339)K93.CA and (T0339)G98.CA only 0.000 apart, marking (T0339)G98.CA as missing WARNING: atoms too close: (T0339)S92.CA and (T0339)G98.CA only 0.000 apart, marking (T0339)G98.CA as missing WARNING: atoms too close: (T0339)T91.CA and (T0339)G98.CA only 0.000 apart, marking (T0339)G98.CA as missing WARNING: atoms too close: (T0339)Q90.CA and (T0339)G98.CA only 0.000 apart, marking (T0339)G98.CA as missing WARNING: atoms too close: (T0339)N89.CA and (T0339)G98.CA only 0.000 apart, marking (T0339)G98.CA as missing WARNING: atoms too close: (T0339)G97.O and (T0339)G98.O only 0.000 apart, marking (T0339)G98.O as missing WARNING: atoms too close: (T0339)T96.O and (T0339)G98.O only 0.000 apart, marking (T0339)G98.O as missing WARNING: atoms too close: (T0339)H95.O and (T0339)G98.O only 0.000 apart, marking (T0339)G98.O as missing WARNING: atoms too close: (T0339)G94.O and (T0339)G98.O only 0.000 apart, marking (T0339)G98.O as missing WARNING: atoms too close: (T0339)K93.O and (T0339)G98.O only 0.000 apart, marking (T0339)G98.O as missing WARNING: atoms too close: (T0339)S92.O and (T0339)G98.O only 0.000 apart, marking (T0339)G98.O as missing WARNING: atoms too close: (T0339)T91.O and (T0339)G98.O only 0.000 apart, marking (T0339)G98.O as missing WARNING: atoms too close: (T0339)Q90.O and (T0339)G98.O only 0.000 apart, marking (T0339)G98.O as missing WARNING: atoms too close: (T0339)N89.O and (T0339)G98.O only 0.000 apart, marking (T0339)G98.O as missing WARNING: atoms too close: (T0339)G97.C and (T0339)G98.C only 0.000 apart, marking (T0339)G98.C as missing WARNING: atoms too close: (T0339)T96.C and (T0339)G98.C only 0.000 apart, marking (T0339)G98.C as missing WARNING: atoms too close: (T0339)H95.C and (T0339)G98.C only 0.000 apart, marking (T0339)G98.C as missing WARNING: atoms too close: (T0339)G94.C and (T0339)G98.C only 0.000 apart, marking (T0339)G98.C as missing WARNING: atoms too close: (T0339)K93.C and (T0339)G98.C only 0.000 apart, marking (T0339)G98.C as missing WARNING: atoms too close: (T0339)S92.C and (T0339)G98.C only 0.000 apart, marking (T0339)G98.C as missing WARNING: atoms too close: (T0339)T91.C and (T0339)G98.C only 0.000 apart, marking (T0339)G98.C as missing WARNING: atoms too close: (T0339)Q90.C and (T0339)G98.C only 0.000 apart, marking (T0339)G98.C as missing WARNING: atoms too close: (T0339)N89.C and (T0339)G98.C only 0.000 apart, marking (T0339)G98.C as missing WARNING: atoms too close: (T0339)G98.N and (T0339)H99.N only 0.000 apart, marking (T0339)G98.N as missing WARNING: atoms too close: (T0339)G97.N and (T0339)H99.N only 0.000 apart, marking (T0339)G97.N as missing WARNING: atoms too close: (T0339)T96.N and (T0339)H99.N only 0.000 apart, marking (T0339)T96.N as missing WARNING: atoms too close: (T0339)H95.N and (T0339)H99.N only 0.000 apart, marking (T0339)H95.N as missing WARNING: atoms too close: (T0339)G94.N and (T0339)H99.N only 0.000 apart, marking (T0339)G94.N as missing WARNING: atoms too close: (T0339)K93.N and (T0339)H99.N only 0.000 apart, marking (T0339)K93.N as missing WARNING: atoms too close: (T0339)S92.N and (T0339)H99.N only 0.000 apart, marking (T0339)S92.N as missing WARNING: atoms too close: (T0339)T91.N and (T0339)H99.N only 0.000 apart, marking (T0339)T91.N as missing WARNING: atoms too close: (T0339)Q90.N and (T0339)H99.N only 0.000 apart, marking (T0339)Q90.N as missing WARNING: atoms too close: (T0339)N89.N and (T0339)H99.N only 0.000 apart, marking (T0339)H99.N as missing WARNING: atoms too close: (T0339)G98.CA and (T0339)H99.CA only 0.000 apart, marking (T0339)H99.CA as missing WARNING: atoms too close: (T0339)G97.CA and (T0339)H99.CA only 0.000 apart, marking (T0339)H99.CA as missing WARNING: atoms too close: (T0339)T96.CA and (T0339)H99.CA only 0.000 apart, marking (T0339)H99.CA as missing WARNING: atoms too close: (T0339)H95.CA and (T0339)H99.CA only 0.000 apart, marking (T0339)H99.CA as missing WARNING: atoms too close: (T0339)G94.CA and (T0339)H99.CA only 0.000 apart, marking (T0339)H99.CA as missing WARNING: atoms too close: (T0339)K93.CA and (T0339)H99.CA only 0.000 apart, marking (T0339)H99.CA as missing WARNING: atoms too close: (T0339)S92.CA and (T0339)H99.CA only 0.000 apart, marking (T0339)H99.CA as missing WARNING: atoms too close: (T0339)T91.CA and (T0339)H99.CA only 0.000 apart, marking (T0339)H99.CA as missing WARNING: atoms too close: (T0339)Q90.CA and (T0339)H99.CA only 0.000 apart, marking (T0339)H99.CA as missing WARNING: atoms too close: (T0339)N89.CA and (T0339)H99.CA only 0.000 apart, marking (T0339)H99.CA as missing WARNING: atoms too close: (T0339)T96.CB and (T0339)H99.CB only 0.000 apart, marking (T0339)H99.CB as missing WARNING: atoms too close: (T0339)H95.CB and (T0339)H99.CB only 0.000 apart, marking (T0339)H99.CB as missing WARNING: atoms too close: (T0339)K93.CB and (T0339)H99.CB only 0.000 apart, marking (T0339)H99.CB as missing WARNING: atoms too close: (T0339)S92.CB and (T0339)H99.CB only 0.000 apart, marking (T0339)H99.CB as missing WARNING: atoms too close: (T0339)T91.CB and (T0339)H99.CB only 0.000 apart, marking (T0339)H99.CB as missing WARNING: atoms too close: (T0339)Q90.CB and (T0339)H99.CB only 0.000 apart, marking (T0339)H99.CB as missing WARNING: atoms too close: (T0339)N89.CB and (T0339)H99.CB only 0.000 apart, marking (T0339)H99.CB as missing WARNING: atoms too close: (T0339)G98.O and (T0339)H99.O only 0.000 apart, marking (T0339)H99.O as missing WARNING: atoms too close: (T0339)G97.O and (T0339)H99.O only 0.000 apart, marking (T0339)H99.O as missing WARNING: atoms too close: (T0339)T96.O and (T0339)H99.O only 0.000 apart, marking (T0339)H99.O as missing WARNING: atoms too close: (T0339)H95.O and (T0339)H99.O only 0.000 apart, marking (T0339)H99.O as missing WARNING: atoms too close: (T0339)G94.O and (T0339)H99.O only 0.000 apart, marking (T0339)H99.O as missing WARNING: atoms too close: (T0339)K93.O and (T0339)H99.O only 0.000 apart, marking (T0339)H99.O as missing WARNING: atoms too close: (T0339)S92.O and (T0339)H99.O only 0.000 apart, marking (T0339)H99.O as missing WARNING: atoms too close: (T0339)T91.O and (T0339)H99.O only 0.000 apart, marking (T0339)H99.O as missing WARNING: atoms too close: (T0339)Q90.O and (T0339)H99.O only 0.000 apart, marking (T0339)H99.O as missing WARNING: atoms too close: (T0339)N89.O and (T0339)H99.O only 0.000 apart, marking (T0339)H99.O as missing WARNING: atoms too close: (T0339)G98.C and (T0339)H99.C only 0.000 apart, marking (T0339)H99.C as missing WARNING: atoms too close: (T0339)G97.C and (T0339)H99.C only 0.000 apart, marking (T0339)H99.C as missing WARNING: atoms too close: (T0339)T96.C and (T0339)H99.C only 0.000 apart, marking (T0339)H99.C as missing WARNING: atoms too close: (T0339)H95.C and (T0339)H99.C only 0.000 apart, marking (T0339)H99.C as missing WARNING: atoms too close: (T0339)G94.C and (T0339)H99.C only 0.000 apart, marking (T0339)H99.C as missing WARNING: atoms too close: (T0339)K93.C and (T0339)H99.C only 0.000 apart, marking (T0339)H99.C as missing WARNING: atoms too close: (T0339)S92.C and (T0339)H99.C only 0.000 apart, marking (T0339)H99.C as missing WARNING: atoms too close: (T0339)T91.C and (T0339)H99.C only 0.000 apart, marking (T0339)H99.C as missing WARNING: atoms too close: (T0339)Q90.C and (T0339)H99.C only 0.000 apart, marking (T0339)H99.C as missing WARNING: atoms too close: (T0339)N89.C and (T0339)H99.C only 0.000 apart, marking (T0339)H99.C as missing WARNING: atoms too close: (T0339)H99.N and (T0339)H100.N only 0.000 apart, marking (T0339)H99.N as missing WARNING: atoms too close: (T0339)G98.N and (T0339)H100.N only 0.000 apart, marking (T0339)G98.N as missing WARNING: atoms too close: (T0339)G97.N and (T0339)H100.N only 0.000 apart, marking (T0339)G97.N as missing WARNING: atoms too close: (T0339)T96.N and (T0339)H100.N only 0.000 apart, marking (T0339)T96.N as missing WARNING: atoms too close: (T0339)H95.N and (T0339)H100.N only 0.000 apart, marking (T0339)H95.N as missing WARNING: atoms too close: (T0339)G94.N and (T0339)H100.N only 0.000 apart, marking (T0339)G94.N as missing WARNING: atoms too close: (T0339)K93.N and (T0339)H100.N only 0.000 apart, marking (T0339)K93.N as missing WARNING: atoms too close: (T0339)S92.N and (T0339)H100.N only 0.000 apart, marking (T0339)S92.N as missing WARNING: atoms too close: (T0339)T91.N and (T0339)H100.N only 0.000 apart, marking (T0339)T91.N as missing WARNING: atoms too close: (T0339)Q90.N and (T0339)H100.N only 0.000 apart, marking (T0339)Q90.N as missing WARNING: atoms too close: (T0339)N89.N and (T0339)H100.N only 0.000 apart, marking (T0339)H100.N as missing WARNING: atoms too close: (T0339)H99.CA and (T0339)H100.CA only 0.000 apart, marking (T0339)H100.CA as missing WARNING: atoms too close: (T0339)G98.CA and (T0339)H100.CA only 0.000 apart, marking (T0339)H100.CA as missing WARNING: atoms too close: (T0339)G97.CA and (T0339)H100.CA only 0.000 apart, marking (T0339)H100.CA as missing WARNING: atoms too close: (T0339)T96.CA and (T0339)H100.CA only 0.000 apart, marking (T0339)H100.CA as missing WARNING: atoms too close: (T0339)H95.CA and (T0339)H100.CA only 0.000 apart, marking (T0339)H100.CA as missing WARNING: atoms too close: (T0339)G94.CA and (T0339)H100.CA only 0.000 apart, marking (T0339)H100.CA as missing WARNING: atoms too close: (T0339)K93.CA and (T0339)H100.CA only 0.000 apart, marking (T0339)H100.CA as missing WARNING: atoms too close: (T0339)S92.CA and (T0339)H100.CA only 0.000 apart, marking (T0339)H100.CA as missing WARNING: atoms too close: (T0339)T91.CA and (T0339)H100.CA only 0.000 apart, marking (T0339)H100.CA as missing WARNING: atoms too close: (T0339)Q90.CA and (T0339)H100.CA only 0.000 apart, marking (T0339)H100.CA as missing WARNING: atoms too close: (T0339)N89.CA and (T0339)H100.CA only 0.000 apart, marking (T0339)H100.CA as missing WARNING: atoms too close: (T0339)H99.CB and (T0339)H100.CB only 0.000 apart, marking (T0339)H100.CB as missing WARNING: atoms too close: (T0339)T96.CB and (T0339)H100.CB only 0.000 apart, marking (T0339)H100.CB as missing WARNING: atoms too close: (T0339)H95.CB and (T0339)H100.CB only 0.000 apart, marking (T0339)H100.CB as missing WARNING: atoms too close: (T0339)K93.CB and (T0339)H100.CB only 0.000 apart, marking (T0339)H100.CB as missing WARNING: atoms too close: (T0339)S92.CB and (T0339)H100.CB only 0.000 apart, marking (T0339)H100.CB as missing WARNING: atoms too close: (T0339)T91.CB and (T0339)H100.CB only 0.000 apart, marking (T0339)H100.CB as missing WARNING: atoms too close: (T0339)Q90.CB and (T0339)H100.CB only 0.000 apart, marking (T0339)H100.CB as missing WARNING: atoms too close: (T0339)N89.CB and (T0339)H100.CB only 0.000 apart, marking (T0339)H100.CB as missing WARNING: atoms too close: (T0339)H99.O and (T0339)H100.O only 0.000 apart, marking (T0339)H100.O as missing WARNING: atoms too close: (T0339)G98.O and (T0339)H100.O only 0.000 apart, marking (T0339)H100.O as missing WARNING: atoms too close: (T0339)G97.O and (T0339)H100.O only 0.000 apart, marking (T0339)H100.O as missing WARNING: atoms too close: (T0339)T96.O and (T0339)H100.O only 0.000 apart, marking (T0339)H100.O as missing WARNING: atoms too close: (T0339)H95.O and (T0339)H100.O only 0.000 apart, marking (T0339)H100.O as missing WARNING: atoms too close: (T0339)G94.O and (T0339)H100.O only 0.000 apart, marking (T0339)H100.O as missing WARNING: atoms too close: (T0339)K93.O and (T0339)H100.O only 0.000 apart, marking (T0339)H100.O as missing WARNING: atoms too close: (T0339)S92.O and (T0339)H100.O only 0.000 apart, marking (T0339)H100.O as missing WARNING: atoms too close: (T0339)T91.O and (T0339)H100.O only 0.000 apart, marking (T0339)H100.O as missing WARNING: atoms too close: (T0339)Q90.O and (T0339)H100.O only 0.000 apart, marking (T0339)H100.O as missing WARNING: atoms too close: (T0339)N89.O and (T0339)H100.O only 0.000 apart, marking (T0339)H100.O as missing WARNING: atoms too close: (T0339)H99.C and (T0339)H100.C only 0.000 apart, marking (T0339)H100.C as missing WARNING: atoms too close: (T0339)G98.C and (T0339)H100.C only 0.000 apart, marking (T0339)H100.C as missing WARNING: atoms too close: (T0339)G97.C and (T0339)H100.C only 0.000 apart, marking (T0339)H100.C as missing WARNING: atoms too close: (T0339)T96.C and (T0339)H100.C only 0.000 apart, marking (T0339)H100.C as missing WARNING: atoms too close: (T0339)H95.C and (T0339)H100.C only 0.000 apart, marking (T0339)H100.C as missing WARNING: atoms too close: (T0339)G94.C and (T0339)H100.C only 0.000 apart, marking (T0339)H100.C as missing WARNING: atoms too close: (T0339)K93.C and (T0339)H100.C only 0.000 apart, marking (T0339)H100.C as missing WARNING: atoms too close: (T0339)S92.C and (T0339)H100.C only 0.000 apart, marking (T0339)H100.C as missing WARNING: atoms too close: (T0339)T91.C and (T0339)H100.C only 0.000 apart, marking (T0339)H100.C as missing WARNING: atoms too close: (T0339)Q90.C and (T0339)H100.C only 0.000 apart, marking (T0339)H100.C as missing WARNING: atoms too close: (T0339)N89.C and (T0339)H100.C only 0.000 apart, marking (T0339)H100.C as missing WARNING: atoms too close: (T0339)H100.N and (T0339)S101.N only 0.000 apart, marking (T0339)H100.N as missing WARNING: atoms too close: (T0339)H99.N and (T0339)S101.N only 0.000 apart, marking (T0339)H99.N as missing WARNING: atoms too close: (T0339)G98.N and (T0339)S101.N only 0.000 apart, marking (T0339)G98.N as missing WARNING: atoms too close: (T0339)G97.N and (T0339)S101.N only 0.000 apart, marking (T0339)G97.N as missing WARNING: atoms too close: (T0339)T96.N and (T0339)S101.N only 0.000 apart, marking (T0339)T96.N as missing WARNING: atoms too close: (T0339)H95.N and (T0339)S101.N only 0.000 apart, marking (T0339)H95.N as missing WARNING: atoms too close: (T0339)G94.N and (T0339)S101.N only 0.000 apart, marking (T0339)G94.N as missing WARNING: atoms too close: (T0339)K93.N and (T0339)S101.N only 0.000 apart, marking (T0339)K93.N as missing WARNING: atoms too close: (T0339)S92.N and (T0339)S101.N only 0.000 apart, marking (T0339)S92.N as missing WARNING: atoms too close: (T0339)T91.N and (T0339)S101.N only 0.000 apart, marking (T0339)T91.N as missing WARNING: atoms too close: (T0339)Q90.N and (T0339)S101.N only 0.000 apart, marking (T0339)Q90.N as missing WARNING: atoms too close: (T0339)N89.N and (T0339)S101.N only 0.000 apart, marking (T0339)S101.N as missing WARNING: atoms too close: (T0339)H100.CA and (T0339)S101.CA only 0.000 apart, marking (T0339)S101.CA as missing WARNING: atoms too close: (T0339)H99.CA and (T0339)S101.CA only 0.000 apart, marking (T0339)S101.CA as missing WARNING: atoms too close: (T0339)G98.CA and (T0339)S101.CA only 0.000 apart, marking (T0339)S101.CA as missing WARNING: atoms too close: (T0339)G97.CA and (T0339)S101.CA only 0.000 apart, marking (T0339)S101.CA as missing WARNING: atoms too close: (T0339)T96.CA and (T0339)S101.CA only 0.000 apart, marking (T0339)S101.CA as missing WARNING: atoms too close: (T0339)H95.CA and (T0339)S101.CA only 0.000 apart, marking (T0339)S101.CA as missing WARNING: atoms too close: (T0339)G94.CA and (T0339)S101.CA only 0.000 apart, marking (T0339)S101.CA as missing WARNING: atoms too close: (T0339)K93.CA and (T0339)S101.CA only 0.000 apart, marking (T0339)S101.CA as missing WARNING: atoms too close: (T0339)S92.CA and (T0339)S101.CA only 0.000 apart, marking (T0339)S101.CA as missing WARNING: atoms too close: (T0339)T91.CA and (T0339)S101.CA only 0.000 apart, marking (T0339)S101.CA as missing WARNING: atoms too close: (T0339)Q90.CA and (T0339)S101.CA only 0.000 apart, marking (T0339)S101.CA as missing WARNING: atoms too close: (T0339)N89.CA and (T0339)S101.CA only 0.000 apart, marking (T0339)S101.CA as missing WARNING: atoms too close: (T0339)H100.CB and (T0339)S101.CB only 0.000 apart, marking (T0339)S101.CB as missing WARNING: atoms too close: (T0339)H99.CB and (T0339)S101.CB only 0.000 apart, marking (T0339)S101.CB as missing WARNING: atoms too close: (T0339)T96.CB and (T0339)S101.CB only 0.000 apart, marking (T0339)S101.CB as missing WARNING: atoms too close: (T0339)H95.CB and (T0339)S101.CB only 0.000 apart, marking (T0339)S101.CB as missing WARNING: atoms too close: (T0339)K93.CB and (T0339)S101.CB only 0.000 apart, marking (T0339)S101.CB as missing WARNING: atoms too close: (T0339)S92.CB and (T0339)S101.CB only 0.000 apart, marking (T0339)S101.CB as missing WARNING: atoms too close: (T0339)T91.CB and (T0339)S101.CB only 0.000 apart, marking (T0339)S101.CB as missing WARNING: atoms too close: (T0339)Q90.CB and (T0339)S101.CB only 0.000 apart, marking (T0339)S101.CB as missing WARNING: atoms too close: (T0339)N89.CB and (T0339)S101.CB only 0.000 apart, marking (T0339)S101.CB as missing WARNING: atoms too close: (T0339)H100.O and (T0339)S101.O only 0.000 apart, marking (T0339)S101.O as missing WARNING: atoms too close: (T0339)H99.O and (T0339)S101.O only 0.000 apart, marking (T0339)S101.O as missing WARNING: atoms too close: (T0339)G98.O and (T0339)S101.O only 0.000 apart, marking (T0339)S101.O as missing WARNING: atoms too close: (T0339)G97.O and (T0339)S101.O only 0.000 apart, marking (T0339)S101.O as missing WARNING: atoms too close: (T0339)T96.O and (T0339)S101.O only 0.000 apart, marking (T0339)S101.O as missing WARNING: atoms too close: (T0339)H95.O and (T0339)S101.O only 0.000 apart, marking (T0339)S101.O as missing WARNING: atoms too close: (T0339)G94.O and (T0339)S101.O only 0.000 apart, marking (T0339)S101.O as missing WARNING: atoms too close: (T0339)K93.O and (T0339)S101.O only 0.000 apart, marking (T0339)S101.O as missing WARNING: atoms too close: (T0339)S92.O and (T0339)S101.O only 0.000 apart, marking (T0339)S101.O as missing WARNING: atoms too close: (T0339)T91.O and (T0339)S101.O only 0.000 apart, marking (T0339)S101.O as missing WARNING: atoms too close: (T0339)Q90.O and (T0339)S101.O only 0.000 apart, marking (T0339)S101.O as missing WARNING: atoms too close: (T0339)N89.O and (T0339)S101.O only 0.000 apart, marking (T0339)S101.O as missing WARNING: atoms too close: (T0339)H100.C and (T0339)S101.C only 0.000 apart, marking (T0339)S101.C as missing WARNING: atoms too close: (T0339)H99.C and (T0339)S101.C only 0.000 apart, marking (T0339)S101.C as missing WARNING: atoms too close: (T0339)G98.C and (T0339)S101.C only 0.000 apart, marking (T0339)S101.C as missing WARNING: atoms too close: (T0339)G97.C and (T0339)S101.C only 0.000 apart, marking (T0339)S101.C as missing WARNING: atoms too close: (T0339)T96.C and (T0339)S101.C only 0.000 apart, marking (T0339)S101.C as missing WARNING: atoms too close: (T0339)H95.C and (T0339)S101.C only 0.000 apart, marking (T0339)S101.C as missing WARNING: atoms too close: (T0339)G94.C and (T0339)S101.C only 0.000 apart, marking (T0339)S101.C as missing WARNING: atoms too close: (T0339)K93.C and (T0339)S101.C only 0.000 apart, marking (T0339)S101.C as missing WARNING: atoms too close: (T0339)S92.C and (T0339)S101.C only 0.000 apart, marking (T0339)S101.C as missing WARNING: atoms too close: (T0339)T91.C and (T0339)S101.C only 0.000 apart, marking (T0339)S101.C as missing WARNING: atoms too close: (T0339)Q90.C and (T0339)S101.C only 0.000 apart, marking (T0339)S101.C as missing WARNING: atoms too close: (T0339)N89.C and (T0339)S101.C only 0.000 apart, marking (T0339)S101.C as missing WARNING: atoms too close: (T0339)S101.N and (T0339)P102.N only 0.000 apart, marking (T0339)S101.N as missing WARNING: atoms too close: (T0339)H100.N and (T0339)P102.N only 0.000 apart, marking (T0339)H100.N as missing WARNING: atoms too close: (T0339)H99.N and (T0339)P102.N only 0.000 apart, marking (T0339)H99.N as missing WARNING: atoms too close: (T0339)G98.N and (T0339)P102.N only 0.000 apart, marking (T0339)G98.N as missing WARNING: atoms too close: (T0339)G97.N and (T0339)P102.N only 0.000 apart, marking (T0339)G97.N as missing WARNING: atoms too close: (T0339)T96.N and (T0339)P102.N only 0.000 apart, marking (T0339)T96.N as missing WARNING: atoms too close: (T0339)H95.N and (T0339)P102.N only 0.000 apart, marking (T0339)H95.N as missing WARNING: atoms too close: (T0339)G94.N and (T0339)P102.N only 0.000 apart, marking (T0339)G94.N as missing WARNING: atoms too close: (T0339)K93.N and (T0339)P102.N only 0.000 apart, marking (T0339)K93.N as missing WARNING: atoms too close: (T0339)S92.N and (T0339)P102.N only 0.000 apart, marking (T0339)S92.N as missing WARNING: atoms too close: (T0339)T91.N and (T0339)P102.N only 0.000 apart, marking (T0339)T91.N as missing WARNING: atoms too close: (T0339)Q90.N and (T0339)P102.N only 0.000 apart, marking (T0339)Q90.N as missing WARNING: atoms too close: (T0339)N89.N and (T0339)P102.N only 0.000 apart, marking (T0339)P102.N as missing WARNING: atoms too close: (T0339)S101.CA and (T0339)P102.CA only 0.000 apart, marking (T0339)P102.CA as missing WARNING: atoms too close: (T0339)H100.CA and (T0339)P102.CA only 0.000 apart, marking (T0339)P102.CA as missing WARNING: atoms too close: (T0339)H99.CA and (T0339)P102.CA only 0.000 apart, marking (T0339)P102.CA as missing WARNING: atoms too close: (T0339)G98.CA and (T0339)P102.CA only 0.000 apart, marking (T0339)P102.CA as missing WARNING: atoms too close: (T0339)G97.CA and (T0339)P102.CA only 0.000 apart, marking (T0339)P102.CA as missing WARNING: atoms too close: (T0339)T96.CA and (T0339)P102.CA only 0.000 apart, marking (T0339)P102.CA as missing WARNING: atoms too close: (T0339)H95.CA and (T0339)P102.CA only 0.000 apart, marking (T0339)P102.CA as missing WARNING: atoms too close: (T0339)G94.CA and (T0339)P102.CA only 0.000 apart, marking (T0339)P102.CA as missing WARNING: atoms too close: (T0339)K93.CA and (T0339)P102.CA only 0.000 apart, marking (T0339)P102.CA as missing WARNING: atoms too close: (T0339)S92.CA and (T0339)P102.CA only 0.000 apart, marking (T0339)P102.CA as missing WARNING: atoms too close: (T0339)T91.CA and (T0339)P102.CA only 0.000 apart, marking (T0339)P102.CA as missing WARNING: atoms too close: (T0339)Q90.CA and (T0339)P102.CA only 0.000 apart, marking (T0339)P102.CA as missing WARNING: atoms too close: (T0339)N89.CA and (T0339)P102.CA only 0.000 apart, marking (T0339)P102.CA as missing WARNING: atoms too close: (T0339)S101.CB and (T0339)P102.CB only 0.000 apart, marking (T0339)P102.CB as missing WARNING: atoms too close: (T0339)H100.CB and (T0339)P102.CB only 0.000 apart, marking (T0339)P102.CB as missing WARNING: atoms too close: (T0339)H99.CB and (T0339)P102.CB only 0.000 apart, marking (T0339)P102.CB as missing WARNING: atoms too close: (T0339)T96.CB and (T0339)P102.CB only 0.000 apart, marking (T0339)P102.CB as missing WARNING: atoms too close: (T0339)H95.CB and (T0339)P102.CB only 0.000 apart, marking (T0339)P102.CB as missing WARNING: atoms too close: (T0339)K93.CB and (T0339)P102.CB only 0.000 apart, marking (T0339)P102.CB as missing WARNING: atoms too close: (T0339)S92.CB and (T0339)P102.CB only 0.000 apart, marking (T0339)P102.CB as missing WARNING: atoms too close: (T0339)T91.CB and (T0339)P102.CB only 0.000 apart, marking (T0339)P102.CB as missing WARNING: atoms too close: (T0339)Q90.CB and (T0339)P102.CB only 0.000 apart, marking (T0339)P102.CB as missing WARNING: atoms too close: (T0339)N89.CB and (T0339)P102.CB only 0.000 apart, marking (T0339)P102.CB as missing WARNING: atoms too close: (T0339)S101.O and (T0339)P102.O only 0.000 apart, marking (T0339)P102.O as missing WARNING: atoms too close: (T0339)H100.O and (T0339)P102.O only 0.000 apart, marking (T0339)P102.O as missing WARNING: atoms too close: (T0339)H99.O and (T0339)P102.O only 0.000 apart, marking (T0339)P102.O as missing WARNING: atoms too close: (T0339)G98.O and (T0339)P102.O only 0.000 apart, marking (T0339)P102.O as missing WARNING: atoms too close: (T0339)G97.O and (T0339)P102.O only 0.000 apart, marking (T0339)P102.O as missing WARNING: atoms too close: (T0339)T96.O and (T0339)P102.O only 0.000 apart, marking (T0339)P102.O as missing WARNING: atoms too close: (T0339)H95.O and (T0339)P102.O only 0.000 apart, marking (T0339)P102.O as missing WARNING: atoms too close: (T0339)G94.O and (T0339)P102.O only 0.000 apart, marking (T0339)P102.O as missing WARNING: atoms too close: (T0339)K93.O and (T0339)P102.O only 0.000 apart, marking (T0339)P102.O as missing WARNING: atoms too close: (T0339)S92.O and (T0339)P102.O only 0.000 apart, marking (T0339)P102.O as missing WARNING: atoms too close: (T0339)T91.O and (T0339)P102.O only 0.000 apart, marking (T0339)P102.O as missing WARNING: atoms too close: (T0339)Q90.O and (T0339)P102.O only 0.000 apart, marking (T0339)P102.O as missing WARNING: atoms too close: (T0339)N89.O and (T0339)P102.O only 0.000 apart, marking (T0339)P102.O as missing WARNING: atoms too close: (T0339)S101.C and (T0339)P102.C only 0.000 apart, marking (T0339)P102.C as missing WARNING: atoms too close: (T0339)H100.C and (T0339)P102.C only 0.000 apart, marking (T0339)P102.C as missing WARNING: atoms too close: (T0339)H99.C and (T0339)P102.C only 0.000 apart, marking (T0339)P102.C as missing WARNING: atoms too close: (T0339)G98.C and (T0339)P102.C only 0.000 apart, marking (T0339)P102.C as missing WARNING: atoms too close: (T0339)G97.C and (T0339)P102.C only 0.000 apart, marking (T0339)P102.C as missing WARNING: atoms too close: (T0339)T96.C and (T0339)P102.C only 0.000 apart, marking (T0339)P102.C as missing WARNING: atoms too close: (T0339)H95.C and (T0339)P102.C only 0.000 apart, marking (T0339)P102.C as missing WARNING: atoms too close: (T0339)G94.C and (T0339)P102.C only 0.000 apart, marking (T0339)P102.C as missing WARNING: atoms too close: (T0339)K93.C and (T0339)P102.C only 0.000 apart, marking (T0339)P102.C as missing WARNING: atoms too close: (T0339)S92.C and (T0339)P102.C only 0.000 apart, marking (T0339)P102.C as missing WARNING: atoms too close: (T0339)T91.C and (T0339)P102.C only 0.000 apart, marking (T0339)P102.C as missing WARNING: atoms too close: (T0339)Q90.C and (T0339)P102.C only 0.000 apart, marking (T0339)P102.C as missing WARNING: atoms too close: (T0339)N89.C and (T0339)P102.C only 0.000 apart, marking (T0339)P102.C as missing WARNING: atoms too close: (T0339)P102.N and (T0339)V103.N only 0.000 apart, marking (T0339)P102.N as missing WARNING: atoms too close: (T0339)S101.N and (T0339)V103.N only 0.000 apart, marking (T0339)S101.N as missing WARNING: atoms too close: (T0339)H100.N and (T0339)V103.N only 0.000 apart, marking (T0339)H100.N as missing WARNING: atoms too close: (T0339)H99.N and (T0339)V103.N only 0.000 apart, marking (T0339)H99.N as missing WARNING: atoms too close: (T0339)G98.N and (T0339)V103.N only 0.000 apart, marking (T0339)G98.N as missing WARNING: atoms too close: (T0339)G97.N and (T0339)V103.N only 0.000 apart, marking (T0339)G97.N as missing WARNING: atoms too close: (T0339)T96.N and (T0339)V103.N only 0.000 apart, marking (T0339)T96.N as missing WARNING: atoms too close: (T0339)H95.N and (T0339)V103.N only 0.000 apart, marking (T0339)H95.N as missing WARNING: atoms too close: (T0339)G94.N and (T0339)V103.N only 0.000 apart, marking (T0339)G94.N as missing WARNING: atoms too close: (T0339)K93.N and (T0339)V103.N only 0.000 apart, marking (T0339)K93.N as missing WARNING: atoms too close: (T0339)S92.N and (T0339)V103.N only 0.000 apart, marking (T0339)S92.N as missing WARNING: atoms too close: (T0339)T91.N and (T0339)V103.N only 0.000 apart, marking (T0339)T91.N as missing WARNING: atoms too close: (T0339)Q90.N and (T0339)V103.N only 0.000 apart, marking (T0339)Q90.N as missing WARNING: atoms too close: (T0339)N89.N and (T0339)V103.N only 0.000 apart, marking (T0339)V103.N as missing WARNING: atoms too close: (T0339)P102.CA and (T0339)V103.CA only 0.000 apart, marking (T0339)V103.CA as missing WARNING: atoms too close: (T0339)S101.CA and (T0339)V103.CA only 0.000 apart, marking (T0339)V103.CA as missing WARNING: atoms too close: (T0339)H100.CA and (T0339)V103.CA only 0.000 apart, marking (T0339)V103.CA as missing WARNING: atoms too close: (T0339)H99.CA and (T0339)V103.CA only 0.000 apart, marking (T0339)V103.CA as missing WARNING: atoms too close: (T0339)G98.CA and (T0339)V103.CA only 0.000 apart, marking (T0339)V103.CA as missing WARNING: atoms too close: (T0339)G97.CA and (T0339)V103.CA only 0.000 apart, marking (T0339)V103.CA as missing WARNING: atoms too close: (T0339)T96.CA and (T0339)V103.CA only 0.000 apart, marking (T0339)V103.CA as missing WARNING: atoms too close: (T0339)H95.CA and (T0339)V103.CA only 0.000 apart, marking (T0339)V103.CA as missing WARNING: atoms too close: (T0339)G94.CA and (T0339)V103.CA only 0.000 apart, marking (T0339)V103.CA as missing WARNING: atoms too close: (T0339)K93.CA and (T0339)V103.CA only 0.000 apart, marking (T0339)V103.CA as missing WARNING: atoms too close: (T0339)S92.CA and (T0339)V103.CA only 0.000 apart, marking (T0339)V103.CA as missing WARNING: atoms too close: (T0339)T91.CA and (T0339)V103.CA only 0.000 apart, marking (T0339)V103.CA as missing WARNING: atoms too close: (T0339)Q90.CA and (T0339)V103.CA only 0.000 apart, marking (T0339)V103.CA as missing WARNING: atoms too close: (T0339)N89.CA and (T0339)V103.CA only 0.000 apart, marking (T0339)V103.CA as missing WARNING: atoms too close: (T0339)P102.CB and (T0339)V103.CB only 0.000 apart, marking (T0339)V103.CB as missing WARNING: atoms too close: (T0339)S101.CB and (T0339)V103.CB only 0.000 apart, marking (T0339)V103.CB as missing WARNING: atoms too close: (T0339)H100.CB and (T0339)V103.CB only 0.000 apart, marking (T0339)V103.CB as missing WARNING: atoms too close: (T0339)H99.CB and (T0339)V103.CB only 0.000 apart, marking (T0339)V103.CB as missing WARNING: atoms too close: (T0339)T96.CB and (T0339)V103.CB only 0.000 apart, marking (T0339)V103.CB as missing WARNING: atoms too close: (T0339)H95.CB and (T0339)V103.CB only 0.000 apart, marking (T0339)V103.CB as missing WARNING: atoms too close: (T0339)K93.CB and (T0339)V103.CB only 0.000 apart, marking (T0339)V103.CB as missing WARNING: atoms too close: (T0339)S92.CB and (T0339)V103.CB only 0.000 apart, marking (T0339)V103.CB as missing WARNING: atoms too close: (T0339)T91.CB and (T0339)V103.CB only 0.000 apart, marking (T0339)V103.CB as missing WARNING: atoms too close: (T0339)Q90.CB and (T0339)V103.CB only 0.000 apart, marking (T0339)V103.CB as missing WARNING: atoms too close: (T0339)N89.CB and (T0339)V103.CB only 0.000 apart, marking (T0339)V103.CB as missing WARNING: atoms too close: (T0339)P102.O and (T0339)V103.O only 0.000 apart, marking (T0339)V103.O as missing WARNING: atoms too close: (T0339)S101.O and (T0339)V103.O only 0.000 apart, marking (T0339)V103.O as missing WARNING: atoms too close: (T0339)H100.O and (T0339)V103.O only 0.000 apart, marking (T0339)V103.O as missing WARNING: atoms too close: (T0339)H99.O and (T0339)V103.O only 0.000 apart, marking (T0339)V103.O as missing WARNING: atoms too close: (T0339)G98.O and (T0339)V103.O only 0.000 apart, marking (T0339)V103.O as missing WARNING: atoms too close: (T0339)G97.O and (T0339)V103.O only 0.000 apart, marking (T0339)V103.O as missing WARNING: atoms too close: (T0339)T96.O and (T0339)V103.O only 0.000 apart, marking (T0339)V103.O as missing WARNING: atoms too close: (T0339)H95.O and (T0339)V103.O only 0.000 apart, marking (T0339)V103.O as missing WARNING: atoms too close: (T0339)G94.O and (T0339)V103.O only 0.000 apart, marking (T0339)V103.O as missing WARNING: atoms too close: (T0339)K93.O and (T0339)V103.O only 0.000 apart, marking (T0339)V103.O as missing WARNING: atoms too close: (T0339)S92.O and (T0339)V103.O only 0.000 apart, marking (T0339)V103.O as missing WARNING: atoms too close: (T0339)T91.O and (T0339)V103.O only 0.000 apart, marking (T0339)V103.O as missing WARNING: atoms too close: (T0339)Q90.O and (T0339)V103.O only 0.000 apart, marking (T0339)V103.O as missing WARNING: atoms too close: (T0339)N89.O and (T0339)V103.O only 0.000 apart, marking (T0339)V103.O as missing WARNING: atoms too close: (T0339)P102.C and (T0339)V103.C only 0.000 apart, marking (T0339)V103.C as missing WARNING: atoms too close: (T0339)S101.C and (T0339)V103.C only 0.000 apart, marking (T0339)V103.C as missing WARNING: atoms too close: (T0339)H100.C and (T0339)V103.C only 0.000 apart, marking (T0339)V103.C as missing WARNING: atoms too close: (T0339)H99.C and (T0339)V103.C only 0.000 apart, marking (T0339)V103.C as missing WARNING: atoms too close: (T0339)G98.C and (T0339)V103.C only 0.000 apart, marking (T0339)V103.C as missing WARNING: atoms too close: (T0339)G97.C and (T0339)V103.C only 0.000 apart, marking (T0339)V103.C as missing WARNING: atoms too close: (T0339)T96.C and (T0339)V103.C only 0.000 apart, marking (T0339)V103.C as missing WARNING: atoms too close: (T0339)H95.C and (T0339)V103.C only 0.000 apart, marking (T0339)V103.C as missing WARNING: atoms too close: (T0339)G94.C and (T0339)V103.C only 0.000 apart, marking (T0339)V103.C as missing WARNING: atoms too close: (T0339)K93.C and (T0339)V103.C only 0.000 apart, marking (T0339)V103.C as missing WARNING: atoms too close: (T0339)S92.C and (T0339)V103.C only 0.000 apart, marking (T0339)V103.C as missing WARNING: atoms too close: (T0339)T91.C and (T0339)V103.C only 0.000 apart, marking (T0339)V103.C as missing WARNING: atoms too close: (T0339)Q90.C and (T0339)V103.C only 0.000 apart, marking (T0339)V103.C as missing WARNING: atoms too close: (T0339)N89.C and (T0339)V103.C only 0.000 apart, marking (T0339)V103.C as missing WARNING: atoms too close: (T0339)V103.N and (T0339)K104.N only 0.000 apart, marking (T0339)V103.N as missing WARNING: atoms too close: (T0339)P102.N and (T0339)K104.N only 0.000 apart, marking (T0339)P102.N as missing WARNING: atoms too close: (T0339)S101.N and (T0339)K104.N only 0.000 apart, marking (T0339)S101.N as missing WARNING: atoms too close: (T0339)H100.N and (T0339)K104.N only 0.000 apart, marking (T0339)H100.N as missing WARNING: atoms too close: (T0339)H99.N and (T0339)K104.N only 0.000 apart, marking (T0339)H99.N as missing WARNING: atoms too close: (T0339)G98.N and (T0339)K104.N only 0.000 apart, marking (T0339)G98.N as missing WARNING: atoms too close: (T0339)G97.N and (T0339)K104.N only 0.000 apart, marking (T0339)G97.N as missing WARNING: atoms too close: (T0339)T96.N and (T0339)K104.N only 0.000 apart, marking (T0339)T96.N as missing WARNING: atoms too close: (T0339)H95.N and (T0339)K104.N only 0.000 apart, marking (T0339)H95.N as missing WARNING: atoms too close: (T0339)G94.N and (T0339)K104.N only 0.000 apart, marking (T0339)G94.N as missing WARNING: atoms too close: (T0339)K93.N and (T0339)K104.N only 0.000 apart, marking (T0339)K93.N as missing WARNING: atoms too close: (T0339)S92.N and (T0339)K104.N only 0.000 apart, marking (T0339)S92.N as missing WARNING: atoms too close: (T0339)T91.N and (T0339)K104.N only 0.000 apart, marking (T0339)T91.N as missing WARNING: atoms too close: (T0339)Q90.N and (T0339)K104.N only 0.000 apart, marking (T0339)Q90.N as missing WARNING: atoms too close: (T0339)N89.N and (T0339)K104.N only 0.000 apart, marking (T0339)K104.N as missing WARNING: atoms too close: (T0339)V103.CA and (T0339)K104.CA only 0.000 apart, marking (T0339)K104.CA as missing WARNING: atoms too close: (T0339)P102.CA and (T0339)K104.CA only 0.000 apart, marking (T0339)K104.CA as missing WARNING: atoms too close: (T0339)S101.CA and (T0339)K104.CA only 0.000 apart, marking (T0339)K104.CA as missing WARNING: atoms too close: (T0339)H100.CA and (T0339)K104.CA only 0.000 apart, marking (T0339)K104.CA as missing WARNING: atoms too close: (T0339)H99.CA and (T0339)K104.CA only 0.000 apart, marking (T0339)K104.CA as missing WARNING: atoms too close: (T0339)G98.CA and (T0339)K104.CA only 0.000 apart, marking (T0339)K104.CA as missing WARNING: atoms too close: (T0339)G97.CA and (T0339)K104.CA only 0.000 apart, marking (T0339)K104.CA as missing WARNING: atoms too close: (T0339)T96.CA and (T0339)K104.CA only 0.000 apart, marking (T0339)K104.CA as missing WARNING: atoms too close: (T0339)H95.CA and (T0339)K104.CA only 0.000 apart, marking (T0339)K104.CA as missing WARNING: atoms too close: (T0339)G94.CA and (T0339)K104.CA only 0.000 apart, marking (T0339)K104.CA as missing WARNING: atoms too close: (T0339)K93.CA and (T0339)K104.CA only 0.000 apart, marking (T0339)K104.CA as missing WARNING: atoms too close: (T0339)S92.CA and (T0339)K104.CA only 0.000 apart, marking (T0339)K104.CA as missing WARNING: atoms too close: (T0339)T91.CA and (T0339)K104.CA only 0.000 apart, marking (T0339)K104.CA as missing WARNING: atoms too close: (T0339)Q90.CA and (T0339)K104.CA only 0.000 apart, marking (T0339)K104.CA as missing WARNING: atoms too close: (T0339)N89.CA and (T0339)K104.CA only 0.000 apart, marking (T0339)K104.CA as missing WARNING: atoms too close: (T0339)V103.CB and (T0339)K104.CB only 0.000 apart, marking (T0339)K104.CB as missing WARNING: atoms too close: (T0339)P102.CB and (T0339)K104.CB only 0.000 apart, marking (T0339)K104.CB as missing WARNING: atoms too close: (T0339)S101.CB and (T0339)K104.CB only 0.000 apart, marking (T0339)K104.CB as missing WARNING: atoms too close: (T0339)H100.CB and (T0339)K104.CB only 0.000 apart, marking (T0339)K104.CB as missing WARNING: atoms too close: (T0339)H99.CB and (T0339)K104.CB only 0.000 apart, marking (T0339)K104.CB as missing WARNING: atoms too close: (T0339)T96.CB and (T0339)K104.CB only 0.000 apart, marking (T0339)K104.CB as missing WARNING: atoms too close: (T0339)H95.CB and (T0339)K104.CB only 0.000 apart, marking (T0339)K104.CB as missing WARNING: atoms too close: (T0339)K93.CB and (T0339)K104.CB only 0.000 apart, marking (T0339)K104.CB as missing WARNING: atoms too close: (T0339)S92.CB and (T0339)K104.CB only 0.000 apart, marking (T0339)K104.CB as missing WARNING: atoms too close: (T0339)T91.CB and (T0339)K104.CB only 0.000 apart, marking (T0339)K104.CB as missing WARNING: atoms too close: (T0339)Q90.CB and (T0339)K104.CB only 0.000 apart, marking (T0339)K104.CB as missing WARNING: atoms too close: (T0339)N89.CB and (T0339)K104.CB only 0.000 apart, marking (T0339)K104.CB as missing WARNING: atoms too close: (T0339)V103.O and (T0339)K104.O only 0.000 apart, marking (T0339)K104.O as missing WARNING: atoms too close: (T0339)P102.O and (T0339)K104.O only 0.000 apart, marking (T0339)K104.O as missing WARNING: atoms too close: (T0339)S101.O and (T0339)K104.O only 0.000 apart, marking (T0339)K104.O as missing WARNING: atoms too close: (T0339)H100.O and (T0339)K104.O only 0.000 apart, marking (T0339)K104.O as missing WARNING: atoms too close: (T0339)H99.O and (T0339)K104.O only 0.000 apart, marking (T0339)K104.O as missing WARNING: atoms too close: (T0339)G98.O and (T0339)K104.O only 0.000 apart, marking (T0339)K104.O as missing WARNING: atoms too close: (T0339)G97.O and (T0339)K104.O only 0.000 apart, marking (T0339)K104.O as missing WARNING: atoms too close: (T0339)T96.O and (T0339)K104.O only 0.000 apart, marking (T0339)K104.O as missing WARNING: atoms too close: (T0339)H95.O and (T0339)K104.O only 0.000 apart, marking (T0339)K104.O as missing WARNING: atoms too close: (T0339)G94.O and (T0339)K104.O only 0.000 apart, marking (T0339)K104.O as missing WARNING: atoms too close: (T0339)K93.O and (T0339)K104.O only 0.000 apart, marking (T0339)K104.O as missing WARNING: atoms too close: (T0339)S92.O and (T0339)K104.O only 0.000 apart, marking (T0339)K104.O as missing WARNING: atoms too close: (T0339)T91.O and (T0339)K104.O only 0.000 apart, marking (T0339)K104.O as missing WARNING: atoms too close: (T0339)Q90.O and (T0339)K104.O only 0.000 apart, marking (T0339)K104.O as missing WARNING: atoms too close: (T0339)N89.O and (T0339)K104.O only 0.000 apart, marking (T0339)K104.O as missing WARNING: atoms too close: (T0339)V103.C and (T0339)K104.C only 0.000 apart, marking (T0339)K104.C as missing WARNING: atoms too close: (T0339)P102.C and (T0339)K104.C only 0.000 apart, marking (T0339)K104.C as missing WARNING: atoms too close: (T0339)S101.C and (T0339)K104.C only 0.000 apart, marking (T0339)K104.C as missing WARNING: atoms too close: (T0339)H100.C and (T0339)K104.C only 0.000 apart, marking (T0339)K104.C as missing WARNING: atoms too close: (T0339)H99.C and (T0339)K104.C only 0.000 apart, marking (T0339)K104.C as missing WARNING: atoms too close: (T0339)G98.C and (T0339)K104.C only 0.000 apart, marking (T0339)K104.C as missing WARNING: atoms too close: (T0339)G97.C and (T0339)K104.C only 0.000 apart, marking (T0339)K104.C as missing WARNING: atoms too close: (T0339)T96.C and (T0339)K104.C only 0.000 apart, marking (T0339)K104.C as missing WARNING: atoms too close: (T0339)H95.C and (T0339)K104.C only 0.000 apart, marking (T0339)K104.C as missing WARNING: atoms too close: (T0339)G94.C and (T0339)K104.C only 0.000 apart, marking (T0339)K104.C as missing WARNING: atoms too close: (T0339)K93.C and (T0339)K104.C only 0.000 apart, marking (T0339)K104.C as missing WARNING: atoms too close: (T0339)S92.C and (T0339)K104.C only 0.000 apart, marking (T0339)K104.C as missing WARNING: atoms too close: (T0339)T91.C and (T0339)K104.C only 0.000 apart, marking (T0339)K104.C as missing WARNING: atoms too close: (T0339)Q90.C and (T0339)K104.C only 0.000 apart, marking (T0339)K104.C as missing WARNING: atoms too close: (T0339)N89.C and (T0339)K104.C only 0.000 apart, marking (T0339)K104.C as missing WARNING: atoms too close: (T0339)K104.N and (T0339)G105.N only 0.000 apart, marking (T0339)K104.N as missing WARNING: atoms too close: (T0339)V103.N and (T0339)G105.N only 0.000 apart, marking (T0339)V103.N as missing WARNING: atoms too close: (T0339)P102.N and (T0339)G105.N only 0.000 apart, marking (T0339)P102.N as missing WARNING: atoms too close: (T0339)S101.N and (T0339)G105.N only 0.000 apart, marking (T0339)S101.N as missing WARNING: atoms too close: (T0339)H100.N and (T0339)G105.N only 0.000 apart, marking (T0339)H100.N as missing WARNING: atoms too close: (T0339)H99.N and (T0339)G105.N only 0.000 apart, marking (T0339)H99.N as missing WARNING: atoms too close: (T0339)G98.N and (T0339)G105.N only 0.000 apart, marking (T0339)G98.N as missing WARNING: atoms too close: (T0339)G97.N and (T0339)G105.N only 0.000 apart, marking (T0339)G97.N as missing WARNING: atoms too close: (T0339)T96.N and (T0339)G105.N only 0.000 apart, marking (T0339)T96.N as missing WARNING: atoms too close: (T0339)H95.N and (T0339)G105.N only 0.000 apart, marking (T0339)H95.N as missing WARNING: atoms too close: (T0339)G94.N and (T0339)G105.N only 0.000 apart, marking (T0339)G94.N as missing WARNING: atoms too close: (T0339)K93.N and (T0339)G105.N only 0.000 apart, marking (T0339)K93.N as missing WARNING: atoms too close: (T0339)S92.N and (T0339)G105.N only 0.000 apart, marking (T0339)S92.N as missing WARNING: atoms too close: (T0339)T91.N and (T0339)G105.N only 0.000 apart, marking (T0339)T91.N as missing WARNING: atoms too close: (T0339)Q90.N and (T0339)G105.N only 0.000 apart, marking (T0339)Q90.N as missing WARNING: atoms too close: (T0339)N89.N and (T0339)G105.N only 0.000 apart, marking (T0339)G105.N as missing WARNING: atoms too close: (T0339)K104.CA and (T0339)G105.CA only 0.000 apart, marking (T0339)G105.CA as missing WARNING: atoms too close: (T0339)V103.CA and (T0339)G105.CA only 0.000 apart, marking (T0339)G105.CA as missing WARNING: atoms too close: (T0339)P102.CA and (T0339)G105.CA only 0.000 apart, marking (T0339)G105.CA as missing WARNING: atoms too close: (T0339)S101.CA and (T0339)G105.CA only 0.000 apart, marking (T0339)G105.CA as missing WARNING: atoms too close: (T0339)H100.CA and (T0339)G105.CA only 0.000 apart, marking (T0339)G105.CA as missing WARNING: atoms too close: (T0339)H99.CA and (T0339)G105.CA only 0.000 apart, marking (T0339)G105.CA as missing WARNING: atoms too close: (T0339)G98.CA and (T0339)G105.CA only 0.000 apart, marking (T0339)G105.CA as missing WARNING: atoms too close: (T0339)G97.CA and (T0339)G105.CA only 0.000 apart, marking (T0339)G105.CA as missing WARNING: atoms too close: (T0339)T96.CA and (T0339)G105.CA only 0.000 apart, marking (T0339)G105.CA as missing WARNING: atoms too close: (T0339)H95.CA and (T0339)G105.CA only 0.000 apart, marking (T0339)G105.CA as missing WARNING: atoms too close: (T0339)G94.CA and (T0339)G105.CA only 0.000 apart, marking (T0339)G105.CA as missing WARNING: atoms too close: (T0339)K93.CA and (T0339)G105.CA only 0.000 apart, marking (T0339)G105.CA as missing WARNING: atoms too close: (T0339)S92.CA and (T0339)G105.CA only 0.000 apart, marking (T0339)G105.CA as missing WARNING: atoms too close: (T0339)T91.CA and (T0339)G105.CA only 0.000 apart, marking (T0339)G105.CA as missing WARNING: atoms too close: (T0339)Q90.CA and (T0339)G105.CA only 0.000 apart, marking (T0339)G105.CA as missing WARNING: atoms too close: (T0339)N89.CA and (T0339)G105.CA only 0.000 apart, marking (T0339)G105.CA as missing WARNING: atoms too close: (T0339)K104.O and (T0339)G105.O only 0.000 apart, marking (T0339)G105.O as missing WARNING: atoms too close: (T0339)V103.O and (T0339)G105.O only 0.000 apart, marking (T0339)G105.O as missing WARNING: atoms too close: (T0339)P102.O and (T0339)G105.O only 0.000 apart, marking (T0339)G105.O as missing WARNING: atoms too close: (T0339)S101.O and (T0339)G105.O only 0.000 apart, marking (T0339)G105.O as missing WARNING: atoms too close: (T0339)H100.O and (T0339)G105.O only 0.000 apart, marking (T0339)G105.O as missing WARNING: atoms too close: (T0339)H99.O and (T0339)G105.O only 0.000 apart, marking (T0339)G105.O as missing WARNING: atoms too close: (T0339)G98.O and (T0339)G105.O only 0.000 apart, marking (T0339)G105.O as missing WARNING: atoms too close: (T0339)G97.O and (T0339)G105.O only 0.000 apart, marking (T0339)G105.O as missing WARNING: atoms too close: (T0339)T96.O and (T0339)G105.O only 0.000 apart, marking (T0339)G105.O as missing WARNING: atoms too close: (T0339)H95.O and (T0339)G105.O only 0.000 apart, marking (T0339)G105.O as missing WARNING: atoms too close: (T0339)G94.O and (T0339)G105.O only 0.000 apart, marking (T0339)G105.O as missing WARNING: atoms too close: (T0339)K93.O and (T0339)G105.O only 0.000 apart, marking (T0339)G105.O as missing WARNING: atoms too close: (T0339)S92.O and (T0339)G105.O only 0.000 apart, marking (T0339)G105.O as missing WARNING: atoms too close: (T0339)T91.O and (T0339)G105.O only 0.000 apart, marking (T0339)G105.O as missing WARNING: atoms too close: (T0339)Q90.O and (T0339)G105.O only 0.000 apart, marking (T0339)G105.O as missing WARNING: atoms too close: (T0339)N89.O and (T0339)G105.O only 0.000 apart, marking (T0339)G105.O as missing WARNING: atoms too close: (T0339)K104.C and (T0339)G105.C only 0.000 apart, marking (T0339)G105.C as missing WARNING: atoms too close: (T0339)V103.C and (T0339)G105.C only 0.000 apart, marking (T0339)G105.C as missing WARNING: atoms too close: (T0339)P102.C and (T0339)G105.C only 0.000 apart, marking (T0339)G105.C as missing WARNING: atoms too close: (T0339)S101.C and (T0339)G105.C only 0.000 apart, marking (T0339)G105.C as missing WARNING: atoms too close: (T0339)H100.C and (T0339)G105.C only 0.000 apart, marking (T0339)G105.C as missing WARNING: atoms too close: (T0339)H99.C and (T0339)G105.C only 0.000 apart, marking (T0339)G105.C as missing WARNING: atoms too close: (T0339)G98.C and (T0339)G105.C only 0.000 apart, marking (T0339)G105.C as missing WARNING: atoms too close: (T0339)G97.C and (T0339)G105.C only 0.000 apart, marking (T0339)G105.C as missing WARNING: atoms too close: (T0339)T96.C and (T0339)G105.C only 0.000 apart, marking (T0339)G105.C as missing WARNING: atoms too close: (T0339)H95.C and (T0339)G105.C only 0.000 apart, marking (T0339)G105.C as missing WARNING: atoms too close: (T0339)G94.C and (T0339)G105.C only 0.000 apart, marking (T0339)G105.C as missing WARNING: atoms too close: (T0339)K93.C and (T0339)G105.C only 0.000 apart, marking (T0339)G105.C as missing WARNING: atoms too close: (T0339)S92.C and (T0339)G105.C only 0.000 apart, marking (T0339)G105.C as missing WARNING: atoms too close: (T0339)T91.C and (T0339)G105.C only 0.000 apart, marking (T0339)G105.C as missing WARNING: atoms too close: (T0339)Q90.C and (T0339)G105.C only 0.000 apart, marking (T0339)G105.C as missing WARNING: atoms too close: (T0339)N89.C and (T0339)G105.C only 0.000 apart, marking (T0339)G105.C as missing WARNING: atoms too close: (T0339)G105.N and (T0339)V128.N only 0.000 apart, marking (T0339)G105.N as missing WARNING: atoms too close: (T0339)K104.N and (T0339)V128.N only 0.000 apart, marking (T0339)K104.N as missing WARNING: atoms too close: (T0339)V103.N and (T0339)V128.N only 0.000 apart, marking (T0339)V103.N as missing WARNING: atoms too close: (T0339)P102.N and (T0339)V128.N only 0.000 apart, marking (T0339)P102.N as missing WARNING: atoms too close: (T0339)S101.N and (T0339)V128.N only 0.000 apart, marking (T0339)S101.N as missing WARNING: atoms too close: (T0339)H100.N and (T0339)V128.N only 0.000 apart, marking (T0339)H100.N as missing WARNING: atoms too close: (T0339)H99.N and (T0339)V128.N only 0.000 apart, marking (T0339)H99.N as missing WARNING: atoms too close: (T0339)G98.N and (T0339)V128.N only 0.000 apart, marking (T0339)G98.N as missing WARNING: atoms too close: (T0339)G97.N and (T0339)V128.N only 0.000 apart, marking (T0339)G97.N as missing WARNING: atoms too close: (T0339)T96.N and (T0339)V128.N only 0.000 apart, marking (T0339)T96.N as missing WARNING: atoms too close: (T0339)H95.N and (T0339)V128.N only 0.000 apart, marking (T0339)H95.N as missing WARNING: atoms too close: (T0339)G94.N and (T0339)V128.N only 0.000 apart, marking (T0339)G94.N as missing WARNING: atoms too close: (T0339)K93.N and (T0339)V128.N only 0.000 apart, marking (T0339)K93.N as missing WARNING: atoms too close: (T0339)S92.N and (T0339)V128.N only 0.000 apart, marking (T0339)S92.N as missing WARNING: atoms too close: (T0339)T91.N and (T0339)V128.N only 0.000 apart, marking (T0339)T91.N as missing WARNING: atoms too close: (T0339)Q90.N and (T0339)V128.N only 0.000 apart, marking (T0339)Q90.N as missing WARNING: atoms too close: (T0339)N89.N and (T0339)V128.N only 0.000 apart, marking (T0339)V128.N as missing WARNING: atoms too close: (T0339)G105.CA and (T0339)V128.CA only 0.000 apart, marking (T0339)V128.CA as missing WARNING: atoms too close: (T0339)K104.CA and (T0339)V128.CA only 0.000 apart, marking (T0339)V128.CA as missing WARNING: atoms too close: (T0339)V103.CA and (T0339)V128.CA only 0.000 apart, marking (T0339)V128.CA as missing WARNING: atoms too close: (T0339)P102.CA and (T0339)V128.CA only 0.000 apart, marking (T0339)V128.CA as missing WARNING: atoms too close: (T0339)S101.CA and (T0339)V128.CA only 0.000 apart, marking (T0339)V128.CA as missing WARNING: atoms too close: (T0339)H100.CA and (T0339)V128.CA only 0.000 apart, marking (T0339)V128.CA as missing WARNING: atoms too close: (T0339)H99.CA and (T0339)V128.CA only 0.000 apart, marking (T0339)V128.CA as missing WARNING: atoms too close: (T0339)G98.CA and (T0339)V128.CA only 0.000 apart, marking (T0339)V128.CA as missing WARNING: atoms too close: (T0339)G97.CA and (T0339)V128.CA only 0.000 apart, marking (T0339)V128.CA as missing WARNING: atoms too close: (T0339)T96.CA and (T0339)V128.CA only 0.000 apart, marking (T0339)V128.CA as missing WARNING: atoms too close: (T0339)H95.CA and (T0339)V128.CA only 0.000 apart, marking (T0339)V128.CA as missing WARNING: atoms too close: (T0339)G94.CA and (T0339)V128.CA only 0.000 apart, marking (T0339)V128.CA as missing WARNING: atoms too close: (T0339)K93.CA and (T0339)V128.CA only 0.000 apart, marking (T0339)V128.CA as missing WARNING: atoms too close: (T0339)S92.CA and (T0339)V128.CA only 0.000 apart, marking (T0339)V128.CA as missing WARNING: atoms too close: (T0339)T91.CA and (T0339)V128.CA only 0.000 apart, marking (T0339)V128.CA as missing WARNING: atoms too close: (T0339)Q90.CA and (T0339)V128.CA only 0.000 apart, marking (T0339)V128.CA as missing WARNING: atoms too close: (T0339)N89.CA and (T0339)V128.CA only 0.000 apart, marking (T0339)V128.CA as missing WARNING: atoms too close: (T0339)K104.CB and (T0339)V128.CB only 0.000 apart, marking (T0339)V128.CB as missing WARNING: atoms too close: (T0339)V103.CB and (T0339)V128.CB only 0.000 apart, marking (T0339)V128.CB as missing WARNING: atoms too close: (T0339)P102.CB and (T0339)V128.CB only 0.000 apart, marking (T0339)V128.CB as missing WARNING: atoms too close: (T0339)S101.CB and (T0339)V128.CB only 0.000 apart, marking (T0339)V128.CB as missing WARNING: atoms too close: (T0339)H100.CB and (T0339)V128.CB only 0.000 apart, marking (T0339)V128.CB as missing WARNING: atoms too close: (T0339)H99.CB and (T0339)V128.CB only 0.000 apart, marking (T0339)V128.CB as missing WARNING: atoms too close: (T0339)T96.CB and (T0339)V128.CB only 0.000 apart, marking (T0339)V128.CB as missing WARNING: atoms too close: (T0339)H95.CB and (T0339)V128.CB only 0.000 apart, marking (T0339)V128.CB as missing WARNING: atoms too close: (T0339)K93.CB and (T0339)V128.CB only 0.000 apart, marking (T0339)V128.CB as missing WARNING: atoms too close: (T0339)S92.CB and (T0339)V128.CB only 0.000 apart, marking (T0339)V128.CB as missing WARNING: atoms too close: (T0339)T91.CB and (T0339)V128.CB only 0.000 apart, marking (T0339)V128.CB as missing WARNING: atoms too close: (T0339)Q90.CB and (T0339)V128.CB only 0.000 apart, marking (T0339)V128.CB as missing WARNING: atoms too close: (T0339)N89.CB and (T0339)V128.CB only 0.000 apart, marking (T0339)V128.CB as missing WARNING: atoms too close: (T0339)G105.O and (T0339)V128.O only 0.000 apart, marking (T0339)V128.O as missing WARNING: atoms too close: (T0339)K104.O and (T0339)V128.O only 0.000 apart, marking (T0339)V128.O as missing WARNING: atoms too close: (T0339)V103.O and (T0339)V128.O only 0.000 apart, marking (T0339)V128.O as missing WARNING: atoms too close: (T0339)P102.O and (T0339)V128.O only 0.000 apart, marking (T0339)V128.O as missing WARNING: atoms too close: (T0339)S101.O and (T0339)V128.O only 0.000 apart, marking (T0339)V128.O as missing WARNING: atoms too close: (T0339)H100.O and (T0339)V128.O only 0.000 apart, marking (T0339)V128.O as missing WARNING: atoms too close: (T0339)H99.O and (T0339)V128.O only 0.000 apart, marking (T0339)V128.O as missing WARNING: atoms too close: (T0339)G98.O and (T0339)V128.O only 0.000 apart, marking (T0339)V128.O as missing WARNING: atoms too close: (T0339)G97.O and (T0339)V128.O only 0.000 apart, marking (T0339)V128.O as missing WARNING: atoms too close: (T0339)T96.O and (T0339)V128.O only 0.000 apart, marking (T0339)V128.O as missing WARNING: atoms too close: (T0339)H95.O and (T0339)V128.O only 0.000 apart, marking (T0339)V128.O as missing WARNING: atoms too close: (T0339)G94.O and (T0339)V128.O only 0.000 apart, marking (T0339)V128.O as missing WARNING: atoms too close: (T0339)K93.O and (T0339)V128.O only 0.000 apart, marking (T0339)V128.O as missing WARNING: atoms too close: (T0339)S92.O and (T0339)V128.O only 0.000 apart, marking (T0339)V128.O as missing WARNING: atoms too close: (T0339)T91.O and (T0339)V128.O only 0.000 apart, marking (T0339)V128.O as missing WARNING: atoms too close: (T0339)Q90.O and (T0339)V128.O only 0.000 apart, marking (T0339)V128.O as missing WARNING: atoms too close: (T0339)N89.O and (T0339)V128.O only 0.000 apart, marking (T0339)V128.O as missing WARNING: atoms too close: (T0339)G105.C and (T0339)V128.C only 0.000 apart, marking (T0339)V128.C as missing WARNING: atoms too close: (T0339)K104.C and (T0339)V128.C only 0.000 apart, marking (T0339)V128.C as missing WARNING: atoms too close: (T0339)V103.C and (T0339)V128.C only 0.000 apart, marking (T0339)V128.C as missing WARNING: atoms too close: (T0339)P102.C and (T0339)V128.C only 0.000 apart, marking (T0339)V128.C as missing WARNING: atoms too close: (T0339)S101.C and (T0339)V128.C only 0.000 apart, marking (T0339)V128.C as missing WARNING: atoms too close: (T0339)H100.C and (T0339)V128.C only 0.000 apart, marking (T0339)V128.C as missing WARNING: atoms too close: (T0339)H99.C and (T0339)V128.C only 0.000 apart, marking (T0339)V128.C as missing WARNING: atoms too close: (T0339)G98.C and (T0339)V128.C only 0.000 apart, marking (T0339)V128.C as missing WARNING: atoms too close: (T0339)G97.C and (T0339)V128.C only 0.000 apart, marking (T0339)V128.C as missing WARNING: atoms too close: (T0339)T96.C and (T0339)V128.C only 0.000 apart, marking (T0339)V128.C as missing WARNING: atoms too close: (T0339)H95.C and (T0339)V128.C only 0.000 apart, marking (T0339)V128.C as missing WARNING: atoms too close: (T0339)G94.C and (T0339)V128.C only 0.000 apart, marking (T0339)V128.C as missing WARNING: atoms too close: (T0339)K93.C and (T0339)V128.C only 0.000 apart, marking (T0339)V128.C as missing WARNING: atoms too close: (T0339)S92.C and (T0339)V128.C only 0.000 apart, marking (T0339)V128.C as missing WARNING: atoms too close: (T0339)T91.C and (T0339)V128.C only 0.000 apart, marking (T0339)V128.C as missing WARNING: atoms too close: (T0339)Q90.C and (T0339)V128.C only 0.000 apart, marking (T0339)V128.C as missing WARNING: atoms too close: (T0339)N89.C and (T0339)V128.C only 0.000 apart, marking (T0339)V128.C as missing WARNING: atoms too close: (T0339)V128.N and (T0339)P139.N only 0.000 apart, marking (T0339)V128.N as missing WARNING: atoms too close: (T0339)G105.N and (T0339)P139.N only 0.000 apart, marking (T0339)G105.N as missing WARNING: atoms too close: (T0339)K104.N and (T0339)P139.N only 0.000 apart, marking (T0339)K104.N as missing WARNING: atoms too close: (T0339)V103.N and (T0339)P139.N only 0.000 apart, marking (T0339)V103.N as missing WARNING: atoms too close: (T0339)P102.N and (T0339)P139.N only 0.000 apart, marking (T0339)P102.N as missing WARNING: atoms too close: (T0339)S101.N and (T0339)P139.N only 0.000 apart, marking (T0339)S101.N as missing WARNING: atoms too close: (T0339)H100.N and (T0339)P139.N only 0.000 apart, marking (T0339)H100.N as missing WARNING: atoms too close: (T0339)H99.N and (T0339)P139.N only 0.000 apart, marking (T0339)H99.N as missing WARNING: atoms too close: (T0339)G98.N and (T0339)P139.N only 0.000 apart, marking (T0339)G98.N as missing WARNING: atoms too close: (T0339)G97.N and (T0339)P139.N only 0.000 apart, marking (T0339)G97.N as missing WARNING: atoms too close: (T0339)T96.N and (T0339)P139.N only 0.000 apart, marking (T0339)T96.N as missing WARNING: atoms too close: (T0339)H95.N and (T0339)P139.N only 0.000 apart, marking (T0339)H95.N as missing WARNING: atoms too close: (T0339)G94.N and (T0339)P139.N only 0.000 apart, marking (T0339)G94.N as missing WARNING: atoms too close: (T0339)K93.N and (T0339)P139.N only 0.000 apart, marking (T0339)K93.N as missing WARNING: atoms too close: (T0339)S92.N and (T0339)P139.N only 0.000 apart, marking (T0339)S92.N as missing WARNING: atoms too close: (T0339)T91.N and (T0339)P139.N only 0.000 apart, marking (T0339)T91.N as missing WARNING: atoms too close: (T0339)Q90.N and (T0339)P139.N only 0.000 apart, marking (T0339)Q90.N as missing WARNING: atoms too close: (T0339)N89.N and (T0339)P139.N only 0.000 apart, marking (T0339)P139.N as missing WARNING: atoms too close: (T0339)V128.CA and (T0339)P139.CA only 0.000 apart, marking (T0339)P139.CA as missing WARNING: atoms too close: (T0339)G105.CA and (T0339)P139.CA only 0.000 apart, marking (T0339)P139.CA as missing WARNING: atoms too close: (T0339)K104.CA and (T0339)P139.CA only 0.000 apart, marking (T0339)P139.CA as missing WARNING: atoms too close: (T0339)V103.CA and (T0339)P139.CA only 0.000 apart, marking (T0339)P139.CA as missing WARNING: atoms too close: (T0339)P102.CA and (T0339)P139.CA only 0.000 apart, marking (T0339)P139.CA as missing WARNING: atoms too close: (T0339)S101.CA and (T0339)P139.CA only 0.000 apart, marking (T0339)P139.CA as missing WARNING: atoms too close: (T0339)H100.CA and (T0339)P139.CA only 0.000 apart, marking (T0339)P139.CA as missing WARNING: atoms too close: (T0339)H99.CA and (T0339)P139.CA only 0.000 apart, marking (T0339)P139.CA as missing WARNING: atoms too close: (T0339)G98.CA and (T0339)P139.CA only 0.000 apart, marking (T0339)P139.CA as missing WARNING: atoms too close: (T0339)G97.CA and (T0339)P139.CA only 0.000 apart, marking (T0339)P139.CA as missing WARNING: atoms too close: (T0339)T96.CA and (T0339)P139.CA only 0.000 apart, marking (T0339)P139.CA as missing WARNING: atoms too close: (T0339)H95.CA and (T0339)P139.CA only 0.000 apart, marking (T0339)P139.CA as missing WARNING: atoms too close: (T0339)G94.CA and (T0339)P139.CA only 0.000 apart, marking (T0339)P139.CA as missing WARNING: atoms too close: (T0339)K93.CA and (T0339)P139.CA only 0.000 apart, marking (T0339)P139.CA as missing WARNING: atoms too close: (T0339)S92.CA and (T0339)P139.CA only 0.000 apart, marking (T0339)P139.CA as missing WARNING: atoms too close: (T0339)T91.CA and (T0339)P139.CA only 0.000 apart, marking (T0339)P139.CA as missing WARNING: atoms too close: (T0339)Q90.CA and (T0339)P139.CA only 0.000 apart, marking (T0339)P139.CA as missing WARNING: atoms too close: (T0339)N89.CA and (T0339)P139.CA only 0.000 apart, marking (T0339)P139.CA as missing WARNING: atoms too close: (T0339)V128.CB and (T0339)P139.CB only 0.000 apart, marking (T0339)P139.CB as missing WARNING: atoms too close: (T0339)K104.CB and (T0339)P139.CB only 0.000 apart, marking (T0339)P139.CB as missing WARNING: atoms too close: (T0339)V103.CB and (T0339)P139.CB only 0.000 apart, marking (T0339)P139.CB as missing WARNING: atoms too close: (T0339)P102.CB and (T0339)P139.CB only 0.000 apart, marking (T0339)P139.CB as missing WARNING: atoms too close: (T0339)S101.CB and (T0339)P139.CB only 0.000 apart, marking (T0339)P139.CB as missing WARNING: atoms too close: (T0339)H100.CB and (T0339)P139.CB only 0.000 apart, marking (T0339)P139.CB as missing WARNING: atoms too close: (T0339)H99.CB and (T0339)P139.CB only 0.000 apart, marking (T0339)P139.CB as missing WARNING: atoms too close: (T0339)T96.CB and (T0339)P139.CB only 0.000 apart, marking (T0339)P139.CB as missing WARNING: atoms too close: (T0339)H95.CB and (T0339)P139.CB only 0.000 apart, marking (T0339)P139.CB as missing WARNING: atoms too close: (T0339)K93.CB and (T0339)P139.CB only 0.000 apart, marking (T0339)P139.CB as missing WARNING: atoms too close: (T0339)S92.CB and (T0339)P139.CB only 0.000 apart, marking (T0339)P139.CB as missing WARNING: atoms too close: (T0339)T91.CB and (T0339)P139.CB only 0.000 apart, marking (T0339)P139.CB as missing WARNING: atoms too close: (T0339)Q90.CB and (T0339)P139.CB only 0.000 apart, marking (T0339)P139.CB as missing WARNING: atoms too close: (T0339)N89.CB and (T0339)P139.CB only 0.000 apart, marking (T0339)P139.CB as missing WARNING: atoms too close: (T0339)V128.O and (T0339)P139.O only 0.000 apart, marking (T0339)P139.O as missing WARNING: atoms too close: (T0339)G105.O and (T0339)P139.O only 0.000 apart, marking (T0339)P139.O as missing WARNING: atoms too close: (T0339)K104.O and (T0339)P139.O only 0.000 apart, marking (T0339)P139.O as missing WARNING: atoms too close: (T0339)V103.O and (T0339)P139.O only 0.000 apart, marking (T0339)P139.O as missing WARNING: atoms too close: (T0339)P102.O and (T0339)P139.O only 0.000 apart, marking (T0339)P139.O as missing WARNING: atoms too close: (T0339)S101.O and (T0339)P139.O only 0.000 apart, marking (T0339)P139.O as missing WARNING: atoms too close: (T0339)H100.O and (T0339)P139.O only 0.000 apart, marking (T0339)P139.O as missing WARNING: atoms too close: (T0339)H99.O and (T0339)P139.O only 0.000 apart, marking (T0339)P139.O as missing WARNING: atoms too close: (T0339)G98.O and (T0339)P139.O only 0.000 apart, marking (T0339)P139.O as missing WARNING: atoms too close: (T0339)G97.O and (T0339)P139.O only 0.000 apart, marking (T0339)P139.O as missing WARNING: atoms too close: (T0339)T96.O and (T0339)P139.O only 0.000 apart, marking (T0339)P139.O as missing WARNING: atoms too close: (T0339)H95.O and (T0339)P139.O only 0.000 apart, marking (T0339)P139.O as missing WARNING: atoms too close: (T0339)G94.O and (T0339)P139.O only 0.000 apart, marking (T0339)P139.O as missing WARNING: atoms too close: (T0339)K93.O and (T0339)P139.O only 0.000 apart, marking (T0339)P139.O as missing WARNING: atoms too close: (T0339)S92.O and (T0339)P139.O only 0.000 apart, marking (T0339)P139.O as missing WARNING: atoms too close: (T0339)T91.O and (T0339)P139.O only 0.000 apart, marking (T0339)P139.O as missing WARNING: atoms too close: (T0339)Q90.O and (T0339)P139.O only 0.000 apart, marking (T0339)P139.O as missing WARNING: atoms too close: (T0339)N89.O and (T0339)P139.O only 0.000 apart, marking (T0339)P139.O as missing WARNING: atoms too close: (T0339)V128.C and (T0339)P139.C only 0.000 apart, marking (T0339)P139.C as missing WARNING: atoms too close: (T0339)G105.C and (T0339)P139.C only 0.000 apart, marking (T0339)P139.C as missing WARNING: atoms too close: (T0339)K104.C and (T0339)P139.C only 0.000 apart, marking (T0339)P139.C as missing WARNING: atoms too close: (T0339)V103.C and (T0339)P139.C only 0.000 apart, marking (T0339)P139.C as missing WARNING: atoms too close: (T0339)P102.C and (T0339)P139.C only 0.000 apart, marking (T0339)P139.C as missing WARNING: atoms too close: (T0339)S101.C and (T0339)P139.C only 0.000 apart, marking (T0339)P139.C as missing WARNING: atoms too close: (T0339)H100.C and (T0339)P139.C only 0.000 apart, marking (T0339)P139.C as missing WARNING: atoms too close: (T0339)H99.C and (T0339)P139.C only 0.000 apart, marking (T0339)P139.C as missing WARNING: atoms too close: (T0339)G98.C and (T0339)P139.C only 0.000 apart, marking (T0339)P139.C as missing WARNING: atoms too close: (T0339)G97.C and (T0339)P139.C only 0.000 apart, marking (T0339)P139.C as missing WARNING: atoms too close: (T0339)T96.C and (T0339)P139.C only 0.000 apart, marking (T0339)P139.C as missing WARNING: atoms too close: (T0339)H95.C and (T0339)P139.C only 0.000 apart, marking (T0339)P139.C as missing WARNING: atoms too close: (T0339)G94.C and (T0339)P139.C only 0.000 apart, marking (T0339)P139.C as missing WARNING: atoms too close: (T0339)K93.C and (T0339)P139.C only 0.000 apart, marking (T0339)P139.C as missing WARNING: atoms too close: (T0339)S92.C and (T0339)P139.C only 0.000 apart, marking (T0339)P139.C as missing WARNING: atoms too close: (T0339)T91.C and (T0339)P139.C only 0.000 apart, marking (T0339)P139.C as missing WARNING: atoms too close: (T0339)Q90.C and (T0339)P139.C only 0.000 apart, marking (T0339)P139.C as missing WARNING: atoms too close: (T0339)N89.C and (T0339)P139.C only 0.000 apart, marking (T0339)P139.C as missing WARNING: atoms too close: (T0339)P139.N and (T0339)Q190.N only 0.000 apart, marking (T0339)P139.N as missing WARNING: atoms too close: (T0339)V128.N and (T0339)Q190.N only 0.000 apart, marking (T0339)V128.N as missing WARNING: atoms too close: (T0339)G105.N and (T0339)Q190.N only 0.000 apart, marking (T0339)G105.N as missing WARNING: atoms too close: (T0339)K104.N and (T0339)Q190.N only 0.000 apart, marking (T0339)K104.N as missing WARNING: atoms too close: (T0339)V103.N and (T0339)Q190.N only 0.000 apart, marking (T0339)V103.N as missing WARNING: atoms too close: (T0339)P102.N and (T0339)Q190.N only 0.000 apart, marking (T0339)P102.N as missing WARNING: atoms too close: (T0339)S101.N and (T0339)Q190.N only 0.000 apart, marking (T0339)S101.N as missing WARNING: atoms too close: (T0339)H100.N and (T0339)Q190.N only 0.000 apart, marking (T0339)H100.N as missing WARNING: atoms too close: (T0339)H99.N and (T0339)Q190.N only 0.000 apart, marking (T0339)H99.N as missing WARNING: atoms too close: (T0339)G98.N and (T0339)Q190.N only 0.000 apart, marking (T0339)G98.N as missing WARNING: atoms too close: (T0339)G97.N and (T0339)Q190.N only 0.000 apart, marking (T0339)G97.N as missing WARNING: atoms too close: (T0339)T96.N and (T0339)Q190.N only 0.000 apart, marking (T0339)T96.N as missing WARNING: atoms too close: (T0339)H95.N and (T0339)Q190.N only 0.000 apart, marking (T0339)H95.N as missing WARNING: atoms too close: (T0339)G94.N and (T0339)Q190.N only 0.000 apart, marking (T0339)G94.N as missing WARNING: atoms too close: (T0339)K93.N and (T0339)Q190.N only 0.000 apart, marking (T0339)K93.N as missing WARNING: atoms too close: (T0339)S92.N and (T0339)Q190.N only 0.000 apart, marking (T0339)S92.N as missing WARNING: atoms too close: (T0339)T91.N and (T0339)Q190.N only 0.000 apart, marking (T0339)T91.N as missing WARNING: atoms too close: (T0339)Q90.N and (T0339)Q190.N only 0.000 apart, marking (T0339)Q90.N as missing WARNING: atoms too close: (T0339)N89.N and (T0339)Q190.N only 0.000 apart, marking (T0339)Q190.N as missing WARNING: atoms too close: (T0339)P139.CA and (T0339)Q190.CA only 0.000 apart, marking (T0339)Q190.CA as missing WARNING: atoms too close: (T0339)V128.CA and (T0339)Q190.CA only 0.000 apart, marking (T0339)Q190.CA as missing WARNING: atoms too close: (T0339)G105.CA and (T0339)Q190.CA only 0.000 apart, marking (T0339)Q190.CA as missing WARNING: atoms too close: (T0339)K104.CA and (T0339)Q190.CA only 0.000 apart, marking (T0339)Q190.CA as missing WARNING: atoms too close: (T0339)V103.CA and (T0339)Q190.CA only 0.000 apart, marking (T0339)Q190.CA as missing WARNING: atoms too close: (T0339)P102.CA and (T0339)Q190.CA only 0.000 apart, marking (T0339)Q190.CA as missing WARNING: atoms too close: (T0339)S101.CA and (T0339)Q190.CA only 0.000 apart, marking (T0339)Q190.CA as missing WARNING: atoms too close: (T0339)H100.CA and (T0339)Q190.CA only 0.000 apart, marking (T0339)Q190.CA as missing WARNING: atoms too close: (T0339)H99.CA and (T0339)Q190.CA only 0.000 apart, marking (T0339)Q190.CA as missing WARNING: atoms too close: (T0339)G98.CA and (T0339)Q190.CA only 0.000 apart, marking (T0339)Q190.CA as missing WARNING: atoms too close: (T0339)G97.CA and (T0339)Q190.CA only 0.000 apart, marking (T0339)Q190.CA as missing WARNING: atoms too close: (T0339)T96.CA and (T0339)Q190.CA only 0.000 apart, marking (T0339)Q190.CA as missing WARNING: atoms too close: (T0339)H95.CA and (T0339)Q190.CA only 0.000 apart, marking (T0339)Q190.CA as missing WARNING: atoms too close: (T0339)G94.CA and (T0339)Q190.CA only 0.000 apart, marking (T0339)Q190.CA as missing WARNING: atoms too close: (T0339)K93.CA and (T0339)Q190.CA only 0.000 apart, marking (T0339)Q190.CA as missing WARNING: atoms too close: (T0339)S92.CA and (T0339)Q190.CA only 0.000 apart, marking (T0339)Q190.CA as missing WARNING: atoms too close: (T0339)T91.CA and (T0339)Q190.CA only 0.000 apart, marking (T0339)Q190.CA as missing WARNING: atoms too close: (T0339)Q90.CA and (T0339)Q190.CA only 0.000 apart, marking (T0339)Q190.CA as missing WARNING: atoms too close: (T0339)N89.CA and (T0339)Q190.CA only 0.000 apart, marking (T0339)Q190.CA as missing WARNING: atoms too close: (T0339)P139.CB and (T0339)Q190.CB only 0.000 apart, marking (T0339)Q190.CB as missing WARNING: atoms too close: (T0339)V128.CB and (T0339)Q190.CB only 0.000 apart, marking (T0339)Q190.CB as missing WARNING: atoms too close: (T0339)K104.CB and (T0339)Q190.CB only 0.000 apart, marking (T0339)Q190.CB as missing WARNING: atoms too close: (T0339)V103.CB and (T0339)Q190.CB only 0.000 apart, marking (T0339)Q190.CB as missing WARNING: atoms too close: (T0339)P102.CB and (T0339)Q190.CB only 0.000 apart, marking (T0339)Q190.CB as missing WARNING: atoms too close: (T0339)S101.CB and (T0339)Q190.CB only 0.000 apart, marking (T0339)Q190.CB as missing WARNING: atoms too close: (T0339)H100.CB and (T0339)Q190.CB only 0.000 apart, marking (T0339)Q190.CB as missing WARNING: atoms too close: (T0339)H99.CB and (T0339)Q190.CB only 0.000 apart, marking (T0339)Q190.CB as missing WARNING: atoms too close: (T0339)T96.CB and (T0339)Q190.CB only 0.000 apart, marking (T0339)Q190.CB as missing WARNING: atoms too close: (T0339)H95.CB and (T0339)Q190.CB only 0.000 apart, marking (T0339)Q190.CB as missing WARNING: atoms too close: (T0339)K93.CB and (T0339)Q190.CB only 0.000 apart, marking (T0339)Q190.CB as missing WARNING: atoms too close: (T0339)S92.CB and (T0339)Q190.CB only 0.000 apart, marking (T0339)Q190.CB as missing WARNING: atoms too close: (T0339)T91.CB and (T0339)Q190.CB only 0.000 apart, marking (T0339)Q190.CB as missing WARNING: atoms too close: (T0339)Q90.CB and (T0339)Q190.CB only 0.000 apart, marking (T0339)Q190.CB as missing WARNING: atoms too close: (T0339)N89.CB and (T0339)Q190.CB only 0.000 apart, marking (T0339)Q190.CB as missing WARNING: atoms too close: (T0339)P139.O and (T0339)Q190.O only 0.000 apart, marking (T0339)Q190.O as missing WARNING: atoms too close: (T0339)V128.O and (T0339)Q190.O only 0.000 apart, marking (T0339)Q190.O as missing WARNING: atoms too close: (T0339)G105.O and (T0339)Q190.O only 0.000 apart, marking (T0339)Q190.O as missing WARNING: atoms too close: (T0339)K104.O and (T0339)Q190.O only 0.000 apart, marking (T0339)Q190.O as missing WARNING: atoms too close: (T0339)V103.O and (T0339)Q190.O only 0.000 apart, marking (T0339)Q190.O as missing WARNING: atoms too close: (T0339)P102.O and (T0339)Q190.O only 0.000 apart, marking (T0339)Q190.O as missing WARNING: atoms too close: (T0339)S101.O and (T0339)Q190.O only 0.000 apart, marking (T0339)Q190.O as missing WARNING: atoms too close: (T0339)H100.O and (T0339)Q190.O only 0.000 apart, marking (T0339)Q190.O as missing WARNING: atoms too close: (T0339)H99.O and (T0339)Q190.O only 0.000 apart, marking (T0339)Q190.O as missing WARNING: atoms too close: (T0339)G98.O and (T0339)Q190.O only 0.000 apart, marking (T0339)Q190.O as missing WARNING: atoms too close: (T0339)G97.O and (T0339)Q190.O only 0.000 apart, marking (T0339)Q190.O as missing WARNING: atoms too close: (T0339)T96.O and (T0339)Q190.O only 0.000 apart, marking (T0339)Q190.O as missing WARNING: atoms too close: (T0339)H95.O and (T0339)Q190.O only 0.000 apart, marking (T0339)Q190.O as missing WARNING: atoms too close: (T0339)G94.O and (T0339)Q190.O only 0.000 apart, marking (T0339)Q190.O as missing WARNING: atoms too close: (T0339)K93.O and (T0339)Q190.O only 0.000 apart, marking (T0339)Q190.O as missing WARNING: atoms too close: (T0339)S92.O and (T0339)Q190.O only 0.000 apart, marking (T0339)Q190.O as missing WARNING: atoms too close: (T0339)T91.O and (T0339)Q190.O only 0.000 apart, marking (T0339)Q190.O as missing WARNING: atoms too close: (T0339)Q90.O and (T0339)Q190.O only 0.000 apart, marking (T0339)Q190.O as missing WARNING: atoms too close: (T0339)N89.O and (T0339)Q190.O only 0.000 apart, marking (T0339)Q190.O as missing WARNING: atoms too close: (T0339)P139.C and (T0339)Q190.C only 0.000 apart, marking (T0339)Q190.C as missing WARNING: atoms too close: (T0339)V128.C and (T0339)Q190.C only 0.000 apart, marking (T0339)Q190.C as missing WARNING: atoms too close: (T0339)G105.C and (T0339)Q190.C only 0.000 apart, marking (T0339)Q190.C as missing WARNING: atoms too close: (T0339)K104.C and (T0339)Q190.C only 0.000 apart, marking (T0339)Q190.C as missing WARNING: atoms too close: (T0339)V103.C and (T0339)Q190.C only 0.000 apart, marking (T0339)Q190.C as missing WARNING: atoms too close: (T0339)P102.C and (T0339)Q190.C only 0.000 apart, marking (T0339)Q190.C as missing WARNING: atoms too close: (T0339)S101.C and (T0339)Q190.C only 0.000 apart, marking (T0339)Q190.C as missing WARNING: atoms too close: (T0339)H100.C and (T0339)Q190.C only 0.000 apart, marking (T0339)Q190.C as missing WARNING: atoms too close: (T0339)H99.C and (T0339)Q190.C only 0.000 apart, marking (T0339)Q190.C as missing WARNING: atoms too close: (T0339)G98.C and (T0339)Q190.C only 0.000 apart, marking (T0339)Q190.C as missing WARNING: atoms too close: (T0339)G97.C and (T0339)Q190.C only 0.000 apart, marking (T0339)Q190.C as missing WARNING: atoms too close: (T0339)T96.C and (T0339)Q190.C only 0.000 apart, marking (T0339)Q190.C as missing WARNING: atoms too close: (T0339)H95.C and (T0339)Q190.C only 0.000 apart, marking (T0339)Q190.C as missing WARNING: atoms too close: (T0339)G94.C and (T0339)Q190.C only 0.000 apart, marking (T0339)Q190.C as missing WARNING: atoms too close: (T0339)K93.C and (T0339)Q190.C only 0.000 apart, marking (T0339)Q190.C as missing WARNING: atoms too close: (T0339)S92.C and (T0339)Q190.C only 0.000 apart, marking (T0339)Q190.C as missing WARNING: atoms too close: (T0339)T91.C and (T0339)Q190.C only 0.000 apart, marking (T0339)Q190.C as missing WARNING: atoms too close: (T0339)Q90.C and (T0339)Q190.C only 0.000 apart, marking (T0339)Q190.C as missing WARNING: atoms too close: (T0339)N89.C and (T0339)Q190.C only 0.000 apart, marking (T0339)Q190.C as missing WARNING: atoms too close: (T0339)Q190.N and (T0339)E191.N only 0.000 apart, marking (T0339)Q190.N as missing WARNING: atoms too close: (T0339)P139.N and (T0339)E191.N only 0.000 apart, marking (T0339)P139.N as missing WARNING: atoms too close: (T0339)V128.N and (T0339)E191.N only 0.000 apart, marking (T0339)V128.N as missing WARNING: atoms too close: (T0339)G105.N and (T0339)E191.N only 0.000 apart, marking (T0339)G105.N as missing WARNING: atoms too close: (T0339)K104.N and (T0339)E191.N only 0.000 apart, marking (T0339)K104.N as missing WARNING: atoms too close: (T0339)V103.N and (T0339)E191.N only 0.000 apart, marking (T0339)V103.N as missing WARNING: atoms too close: (T0339)P102.N and (T0339)E191.N only 0.000 apart, marking (T0339)P102.N as missing WARNING: atoms too close: (T0339)S101.N and (T0339)E191.N only 0.000 apart, marking (T0339)S101.N as missing WARNING: atoms too close: (T0339)H100.N and (T0339)E191.N only 0.000 apart, marking (T0339)H100.N as missing WARNING: atoms too close: (T0339)H99.N and (T0339)E191.N only 0.000 apart, marking (T0339)H99.N as missing WARNING: atoms too close: (T0339)G98.N and (T0339)E191.N only 0.000 apart, marking (T0339)G98.N as missing WARNING: atoms too close: (T0339)G97.N and (T0339)E191.N only 0.000 apart, marking (T0339)G97.N as missing WARNING: atoms too close: (T0339)T96.N and (T0339)E191.N only 0.000 apart, marking (T0339)T96.N as missing WARNING: atoms too close: (T0339)H95.N and (T0339)E191.N only 0.000 apart, marking (T0339)H95.N as missing WARNING: atoms too close: (T0339)G94.N and (T0339)E191.N only 0.000 apart, marking (T0339)G94.N as missing WARNING: atoms too close: (T0339)K93.N and (T0339)E191.N only 0.000 apart, marking (T0339)K93.N as missing WARNING: atoms too close: (T0339)S92.N and (T0339)E191.N only 0.000 apart, marking (T0339)S92.N as missing WARNING: atoms too close: (T0339)T91.N and (T0339)E191.N only 0.000 apart, marking (T0339)T91.N as missing WARNING: atoms too close: (T0339)Q90.N and (T0339)E191.N only 0.000 apart, marking (T0339)Q90.N as missing WARNING: atoms too close: (T0339)N89.N and (T0339)E191.N only 0.000 apart, marking (T0339)E191.N as missing WARNING: atoms too close: (T0339)Q190.CA and (T0339)E191.CA only 0.000 apart, marking (T0339)E191.CA as missing WARNING: atoms too close: (T0339)P139.CA and (T0339)E191.CA only 0.000 apart, marking (T0339)E191.CA as missing WARNING: atoms too close: (T0339)V128.CA and (T0339)E191.CA only 0.000 apart, marking (T0339)E191.CA as missing WARNING: atoms too close: (T0339)G105.CA and (T0339)E191.CA only 0.000 apart, marking (T0339)E191.CA as missing WARNING: atoms too close: (T0339)K104.CA and (T0339)E191.CA only 0.000 apart, marking (T0339)E191.CA as missing WARNING: atoms too close: (T0339)V103.CA and (T0339)E191.CA only 0.000 apart, marking (T0339)E191.CA as missing WARNING: atoms too close: (T0339)P102.CA and (T0339)E191.CA only 0.000 apart, marking (T0339)E191.CA as missing WARNING: atoms too close: (T0339)S101.CA and (T0339)E191.CA only 0.000 apart, marking (T0339)E191.CA as missing WARNING: atoms too close: (T0339)H100.CA and (T0339)E191.CA only 0.000 apart, marking (T0339)E191.CA as missing WARNING: atoms too close: (T0339)H99.CA and (T0339)E191.CA only 0.000 apart, marking (T0339)E191.CA as missing WARNING: atoms too close: (T0339)G98.CA and (T0339)E191.CA only 0.000 apart, marking (T0339)E191.CA as missing WARNING: atoms too close: (T0339)G97.CA and (T0339)E191.CA only 0.000 apart, marking (T0339)E191.CA as missing WARNING: atoms too close: (T0339)T96.CA and (T0339)E191.CA only 0.000 apart, marking (T0339)E191.CA as missing WARNING: atoms too close: (T0339)H95.CA and (T0339)E191.CA only 0.000 apart, marking (T0339)E191.CA as missing WARNING: atoms too close: (T0339)G94.CA and (T0339)E191.CA only 0.000 apart, marking (T0339)E191.CA as missing WARNING: atoms too close: (T0339)K93.CA and (T0339)E191.CA only 0.000 apart, marking (T0339)E191.CA as missing WARNING: atoms too close: (T0339)S92.CA and (T0339)E191.CA only 0.000 apart, marking (T0339)E191.CA as missing WARNING: atoms too close: (T0339)T91.CA and (T0339)E191.CA only 0.000 apart, marking (T0339)E191.CA as missing WARNING: atoms too close: (T0339)Q90.CA and (T0339)E191.CA only 0.000 apart, marking (T0339)E191.CA as missing WARNING: atoms too close: (T0339)N89.CA and (T0339)E191.CA only 0.000 apart, marking (T0339)E191.CA as missing WARNING: atoms too close: (T0339)Q190.CB and (T0339)E191.CB only 0.000 apart, marking (T0339)E191.CB as missing WARNING: atoms too close: (T0339)P139.CB and (T0339)E191.CB only 0.000 apart, marking (T0339)E191.CB as missing WARNING: atoms too close: (T0339)V128.CB and (T0339)E191.CB only 0.000 apart, marking (T0339)E191.CB as missing WARNING: atoms too close: (T0339)K104.CB and (T0339)E191.CB only 0.000 apart, marking (T0339)E191.CB as missing WARNING: atoms too close: (T0339)V103.CB and (T0339)E191.CB only 0.000 apart, marking (T0339)E191.CB as missing WARNING: atoms too close: (T0339)P102.CB and (T0339)E191.CB only 0.000 apart, marking (T0339)E191.CB as missing WARNING: atoms too close: (T0339)S101.CB and (T0339)E191.CB only 0.000 apart, marking (T0339)E191.CB as missing WARNING: atoms too close: (T0339)H100.CB and (T0339)E191.CB only 0.000 apart, marking (T0339)E191.CB as missing WARNING: atoms too close: (T0339)H99.CB and (T0339)E191.CB only 0.000 apart, marking (T0339)E191.CB as missing WARNING: atoms too close: (T0339)T96.CB and (T0339)E191.CB only 0.000 apart, marking (T0339)E191.CB as missing WARNING: atoms too close: (T0339)H95.CB and (T0339)E191.CB only 0.000 apart, marking (T0339)E191.CB as missing WARNING: atoms too close: (T0339)K93.CB and (T0339)E191.CB only 0.000 apart, marking (T0339)E191.CB as missing WARNING: atoms too close: (T0339)S92.CB and (T0339)E191.CB only 0.000 apart, marking (T0339)E191.CB as missing WARNING: atoms too close: (T0339)T91.CB and (T0339)E191.CB only 0.000 apart, marking (T0339)E191.CB as missing WARNING: atoms too close: (T0339)Q90.CB and (T0339)E191.CB only 0.000 apart, marking (T0339)E191.CB as missing WARNING: atoms too close: (T0339)N89.CB and (T0339)E191.CB only 0.000 apart, marking (T0339)E191.CB as missing WARNING: atoms too close: (T0339)Q190.O and (T0339)E191.O only 0.000 apart, marking (T0339)E191.O as missing WARNING: atoms too close: (T0339)P139.O and (T0339)E191.O only 0.000 apart, marking (T0339)E191.O as missing WARNING: atoms too close: (T0339)V128.O and (T0339)E191.O only 0.000 apart, marking (T0339)E191.O as missing WARNING: atoms too close: (T0339)G105.O and (T0339)E191.O only 0.000 apart, marking (T0339)E191.O as missing WARNING: atoms too close: (T0339)K104.O and (T0339)E191.O only 0.000 apart, marking (T0339)E191.O as missing WARNING: atoms too close: (T0339)V103.O and (T0339)E191.O only 0.000 apart, marking (T0339)E191.O as missing WARNING: atoms too close: (T0339)P102.O and (T0339)E191.O only 0.000 apart, marking (T0339)E191.O as missing WARNING: atoms too close: (T0339)S101.O and (T0339)E191.O only 0.000 apart, marking (T0339)E191.O as missing WARNING: atoms too close: (T0339)H100.O and (T0339)E191.O only 0.000 apart, marking (T0339)E191.O as missing WARNING: atoms too close: (T0339)H99.O and (T0339)E191.O only 0.000 apart, marking (T0339)E191.O as missing WARNING: atoms too close: (T0339)G98.O and (T0339)E191.O only 0.000 apart, marking (T0339)E191.O as missing WARNING: atoms too close: (T0339)G97.O and (T0339)E191.O only 0.000 apart, marking (T0339)E191.O as missing WARNING: atoms too close: (T0339)T96.O and (T0339)E191.O only 0.000 apart, marking (T0339)E191.O as missing WARNING: atoms too close: (T0339)H95.O and (T0339)E191.O only 0.000 apart, marking (T0339)E191.O as missing WARNING: atoms too close: (T0339)G94.O and (T0339)E191.O only 0.000 apart, marking (T0339)E191.O as missing WARNING: atoms too close: (T0339)K93.O and (T0339)E191.O only 0.000 apart, marking (T0339)E191.O as missing WARNING: atoms too close: (T0339)S92.O and (T0339)E191.O only 0.000 apart, marking (T0339)E191.O as missing WARNING: atoms too close: (T0339)T91.O and (T0339)E191.O only 0.000 apart, marking (T0339)E191.O as missing WARNING: atoms too close: (T0339)Q90.O and (T0339)E191.O only 0.000 apart, marking (T0339)E191.O as missing WARNING: atoms too close: (T0339)N89.O and (T0339)E191.O only 0.000 apart, marking (T0339)E191.O as missing WARNING: atoms too close: (T0339)Q190.C and (T0339)E191.C only 0.000 apart, marking (T0339)E191.C as missing WARNING: atoms too close: (T0339)P139.C and (T0339)E191.C only 0.000 apart, marking (T0339)E191.C as missing WARNING: atoms too close: (T0339)V128.C and (T0339)E191.C only 0.000 apart, marking (T0339)E191.C as missing WARNING: atoms too close: (T0339)G105.C and (T0339)E191.C only 0.000 apart, marking (T0339)E191.C as missing WARNING: atoms too close: (T0339)K104.C and (T0339)E191.C only 0.000 apart, marking (T0339)E191.C as missing WARNING: atoms too close: (T0339)V103.C and (T0339)E191.C only 0.000 apart, marking (T0339)E191.C as missing WARNING: atoms too close: (T0339)P102.C and (T0339)E191.C only 0.000 apart, marking (T0339)E191.C as missing WARNING: atoms too close: (T0339)S101.C and (T0339)E191.C only 0.000 apart, marking (T0339)E191.C as missing WARNING: atoms too close: (T0339)H100.C and (T0339)E191.C only 0.000 apart, marking (T0339)E191.C as missing WARNING: atoms too close: (T0339)H99.C and (T0339)E191.C only 0.000 apart, marking (T0339)E191.C as missing WARNING: atoms too close: (T0339)G98.C and (T0339)E191.C only 0.000 apart, marking (T0339)E191.C as missing WARNING: atoms too close: (T0339)G97.C and (T0339)E191.C only 0.000 apart, marking (T0339)E191.C as missing WARNING: atoms too close: (T0339)T96.C and (T0339)E191.C only 0.000 apart, marking (T0339)E191.C as missing WARNING: atoms too close: (T0339)H95.C and (T0339)E191.C only 0.000 apart, marking (T0339)E191.C as missing WARNING: atoms too close: (T0339)G94.C and (T0339)E191.C only 0.000 apart, marking (T0339)E191.C as missing WARNING: atoms too close: (T0339)K93.C and (T0339)E191.C only 0.000 apart, marking (T0339)E191.C as missing WARNING: atoms too close: (T0339)S92.C and (T0339)E191.C only 0.000 apart, marking (T0339)E191.C as missing WARNING: atoms too close: (T0339)T91.C and (T0339)E191.C only 0.000 apart, marking (T0339)E191.C as missing WARNING: atoms too close: (T0339)Q90.C and (T0339)E191.C only 0.000 apart, marking (T0339)E191.C as missing WARNING: atoms too close: (T0339)N89.C and (T0339)E191.C only 0.000 apart, marking (T0339)E191.C as missing WARNING: atoms too close: (T0339)E191.N and (T0339)R192.N only 0.000 apart, marking (T0339)E191.N as missing WARNING: atoms too close: (T0339)Q190.N and (T0339)R192.N only 0.000 apart, marking (T0339)Q190.N as missing WARNING: atoms too close: (T0339)P139.N and (T0339)R192.N only 0.000 apart, marking (T0339)P139.N as missing WARNING: atoms too close: (T0339)V128.N and (T0339)R192.N only 0.000 apart, marking (T0339)V128.N as missing WARNING: atoms too close: (T0339)G105.N and (T0339)R192.N only 0.000 apart, marking (T0339)G105.N as missing WARNING: atoms too close: (T0339)K104.N and (T0339)R192.N only 0.000 apart, marking (T0339)K104.N as missing WARNING: atoms too close: (T0339)V103.N and (T0339)R192.N only 0.000 apart, marking (T0339)V103.N as missing WARNING: atoms too close: (T0339)P102.N and (T0339)R192.N only 0.000 apart, marking (T0339)P102.N as missing WARNING: atoms too close: (T0339)S101.N and (T0339)R192.N only 0.000 apart, marking (T0339)S101.N as missing WARNING: atoms too close: (T0339)H100.N and (T0339)R192.N only 0.000 apart, marking (T0339)H100.N as missing WARNING: atoms too close: (T0339)H99.N and (T0339)R192.N only 0.000 apart, marking (T0339)H99.N as missing WARNING: atoms too close: (T0339)G98.N and (T0339)R192.N only 0.000 apart, marking (T0339)G98.N as missing WARNING: atoms too close: (T0339)G97.N and (T0339)R192.N only 0.000 apart, marking (T0339)G97.N as missing WARNING: atoms too close: (T0339)T96.N and (T0339)R192.N only 0.000 apart, marking (T0339)T96.N as missing WARNING: atoms too close: (T0339)H95.N and (T0339)R192.N only 0.000 apart, marking (T0339)H95.N as missing WARNING: atoms too close: (T0339)G94.N and (T0339)R192.N only 0.000 apart, marking (T0339)G94.N as missing WARNING: atoms too close: (T0339)K93.N and (T0339)R192.N only 0.000 apart, marking (T0339)K93.N as missing WARNING: atoms too close: (T0339)S92.N and (T0339)R192.N only 0.000 apart, marking (T0339)S92.N as missing WARNING: atoms too close: (T0339)T91.N and (T0339)R192.N only 0.000 apart, marking (T0339)T91.N as missing WARNING: atoms too close: (T0339)Q90.N and (T0339)R192.N only 0.000 apart, marking (T0339)Q90.N as missing WARNING: atoms too close: (T0339)N89.N and (T0339)R192.N only 0.000 apart, marking (T0339)R192.N as missing WARNING: atoms too close: (T0339)E191.CA and (T0339)R192.CA only 0.000 apart, marking (T0339)R192.CA as missing WARNING: atoms too close: (T0339)Q190.CA and (T0339)R192.CA only 0.000 apart, marking (T0339)R192.CA as missing WARNING: atoms too close: (T0339)P139.CA and (T0339)R192.CA only 0.000 apart, marking (T0339)R192.CA as missing WARNING: atoms too close: (T0339)V128.CA and (T0339)R192.CA only 0.000 apart, marking (T0339)R192.CA as missing WARNING: atoms too close: (T0339)G105.CA and (T0339)R192.CA only 0.000 apart, marking (T0339)R192.CA as missing WARNING: atoms too close: (T0339)K104.CA and (T0339)R192.CA only 0.000 apart, marking (T0339)R192.CA as missing WARNING: atoms too close: (T0339)V103.CA and (T0339)R192.CA only 0.000 apart, marking (T0339)R192.CA as missing WARNING: atoms too close: (T0339)P102.CA and (T0339)R192.CA only 0.000 apart, marking (T0339)R192.CA as missing WARNING: atoms too close: (T0339)S101.CA and (T0339)R192.CA only 0.000 apart, marking (T0339)R192.CA as missing WARNING: atoms too close: (T0339)H100.CA and (T0339)R192.CA only 0.000 apart, marking (T0339)R192.CA as missing WARNING: atoms too close: (T0339)H99.CA and (T0339)R192.CA only 0.000 apart, marking (T0339)R192.CA as missing WARNING: atoms too close: (T0339)G98.CA and (T0339)R192.CA only 0.000 apart, marking (T0339)R192.CA as missing WARNING: atoms too close: (T0339)G97.CA and (T0339)R192.CA only 0.000 apart, marking (T0339)R192.CA as missing WARNING: atoms too close: (T0339)T96.CA and (T0339)R192.CA only 0.000 apart, marking (T0339)R192.CA as missing WARNING: atoms too close: (T0339)H95.CA and (T0339)R192.CA only 0.000 apart, marking (T0339)R192.CA as missing WARNING: atoms too close: (T0339)G94.CA and (T0339)R192.CA only 0.000 apart, marking (T0339)R192.CA as missing WARNING: atoms too close: (T0339)K93.CA and (T0339)R192.CA only 0.000 apart, marking (T0339)R192.CA as missing WARNING: atoms too close: (T0339)S92.CA and (T0339)R192.CA only 0.000 apart, marking (T0339)R192.CA as missing WARNING: atoms too close: (T0339)T91.CA and (T0339)R192.CA only 0.000 apart, marking (T0339)R192.CA as missing WARNING: atoms too close: (T0339)Q90.CA and (T0339)R192.CA only 0.000 apart, marking (T0339)R192.CA as missing WARNING: atoms too close: (T0339)N89.CA and (T0339)R192.CA only 0.000 apart, marking (T0339)R192.CA as missing WARNING: atoms too close: (T0339)E191.CB and (T0339)R192.CB only 0.000 apart, marking (T0339)R192.CB as missing WARNING: atoms too close: (T0339)Q190.CB and (T0339)R192.CB only 0.000 apart, marking (T0339)R192.CB as missing WARNING: atoms too close: (T0339)P139.CB and (T0339)R192.CB only 0.000 apart, marking (T0339)R192.CB as missing WARNING: atoms too close: (T0339)V128.CB and (T0339)R192.CB only 0.000 apart, marking (T0339)R192.CB as missing WARNING: atoms too close: (T0339)K104.CB and (T0339)R192.CB only 0.000 apart, marking (T0339)R192.CB as missing WARNING: atoms too close: (T0339)V103.CB and (T0339)R192.CB only 0.000 apart, marking (T0339)R192.CB as missing WARNING: atoms too close: (T0339)P102.CB and (T0339)R192.CB only 0.000 apart, marking (T0339)R192.CB as missing WARNING: atoms too close: (T0339)S101.CB and (T0339)R192.CB only 0.000 apart, marking (T0339)R192.CB as missing WARNING: atoms too close: (T0339)H100.CB and (T0339)R192.CB only 0.000 apart, marking (T0339)R192.CB as missing WARNING: atoms too close: (T0339)H99.CB and (T0339)R192.CB only 0.000 apart, marking (T0339)R192.CB as missing WARNING: atoms too close: (T0339)T96.CB and (T0339)R192.CB only 0.000 apart, marking (T0339)R192.CB as missing WARNING: atoms too close: (T0339)H95.CB and (T0339)R192.CB only 0.000 apart, marking (T0339)R192.CB as missing WARNING: atoms too close: (T0339)K93.CB and (T0339)R192.CB only 0.000 apart, marking (T0339)R192.CB as missing WARNING: atoms too close: (T0339)S92.CB and (T0339)R192.CB only 0.000 apart, marking (T0339)R192.CB as missing WARNING: atoms too close: (T0339)T91.CB and (T0339)R192.CB only 0.000 apart, marking (T0339)R192.CB as missing WARNING: atoms too close: (T0339)Q90.CB and (T0339)R192.CB only 0.000 apart, marking (T0339)R192.CB as missing WARNING: atoms too close: (T0339)N89.CB and (T0339)R192.CB only 0.000 apart, marking (T0339)R192.CB as missing WARNING: atoms too close: (T0339)E191.O and (T0339)R192.O only 0.000 apart, marking (T0339)R192.O as missing WARNING: atoms too close: (T0339)Q190.O and (T0339)R192.O only 0.000 apart, marking (T0339)R192.O as missing WARNING: atoms too close: (T0339)P139.O and (T0339)R192.O only 0.000 apart, marking (T0339)R192.O as missing WARNING: atoms too close: (T0339)V128.O and (T0339)R192.O only 0.000 apart, marking (T0339)R192.O as missing WARNING: atoms too close: (T0339)G105.O and (T0339)R192.O only 0.000 apart, marking (T0339)R192.O as missing WARNING: atoms too close: (T0339)K104.O and (T0339)R192.O only 0.000 apart, marking (T0339)R192.O as missing WARNING: atoms too close: (T0339)V103.O and (T0339)R192.O only 0.000 apart, marking (T0339)R192.O as missing WARNING: atoms too close: (T0339)P102.O and (T0339)R192.O only 0.000 apart, marking (T0339)R192.O as missing WARNING: atoms too close: (T0339)S101.O and (T0339)R192.O only 0.000 apart, marking (T0339)R192.O as missing WARNING: atoms too close: (T0339)H100.O and (T0339)R192.O only 0.000 apart, marking (T0339)R192.O as missing WARNING: atoms too close: (T0339)H99.O and (T0339)R192.O only 0.000 apart, marking (T0339)R192.O as missing WARNING: atoms too close: (T0339)G98.O and (T0339)R192.O only 0.000 apart, marking (T0339)R192.O as missing WARNING: atoms too close: (T0339)G97.O and (T0339)R192.O only 0.000 apart, marking (T0339)R192.O as missing WARNING: atoms too close: (T0339)T96.O and (T0339)R192.O only 0.000 apart, marking (T0339)R192.O as missing WARNING: atoms too close: (T0339)H95.O and (T0339)R192.O only 0.000 apart, marking (T0339)R192.O as missing WARNING: atoms too close: (T0339)G94.O and (T0339)R192.O only 0.000 apart, marking (T0339)R192.O as missing WARNING: atoms too close: (T0339)K93.O and (T0339)R192.O only 0.000 apart, marking (T0339)R192.O as missing WARNING: atoms too close: (T0339)S92.O and (T0339)R192.O only 0.000 apart, marking (T0339)R192.O as missing WARNING: atoms too close: (T0339)T91.O and (T0339)R192.O only 0.000 apart, marking (T0339)R192.O as missing WARNING: atoms too close: (T0339)Q90.O and (T0339)R192.O only 0.000 apart, marking (T0339)R192.O as missing WARNING: atoms too close: (T0339)N89.O and (T0339)R192.O only 0.000 apart, marking (T0339)R192.O as missing WARNING: atoms too close: (T0339)E191.C and (T0339)R192.C only 0.000 apart, marking (T0339)R192.C as missing WARNING: atoms too close: (T0339)Q190.C and (T0339)R192.C only 0.000 apart, marking (T0339)R192.C as missing WARNING: atoms too close: (T0339)P139.C and (T0339)R192.C only 0.000 apart, marking (T0339)R192.C as missing WARNING: atoms too close: (T0339)V128.C and (T0339)R192.C only 0.000 apart, marking (T0339)R192.C as missing WARNING: atoms too close: (T0339)G105.C and (T0339)R192.C only 0.000 apart, marking (T0339)R192.C as missing WARNING: atoms too close: (T0339)K104.C and (T0339)R192.C only 0.000 apart, marking (T0339)R192.C as missing WARNING: atoms too close: (T0339)V103.C and (T0339)R192.C only 0.000 apart, marking (T0339)R192.C as missing WARNING: atoms too close: (T0339)P102.C and (T0339)R192.C only 0.000 apart, marking (T0339)R192.C as missing WARNING: atoms too close: (T0339)S101.C and (T0339)R192.C only 0.000 apart, marking (T0339)R192.C as missing WARNING: atoms too close: (T0339)H100.C and (T0339)R192.C only 0.000 apart, marking (T0339)R192.C as missing WARNING: atoms too close: (T0339)H99.C and (T0339)R192.C only 0.000 apart, marking (T0339)R192.C as missing WARNING: atoms too close: (T0339)G98.C and (T0339)R192.C only 0.000 apart, marking (T0339)R192.C as missing WARNING: atoms too close: (T0339)G97.C and (T0339)R192.C only 0.000 apart, marking (T0339)R192.C as missing WARNING: atoms too close: (T0339)T96.C and (T0339)R192.C only 0.000 apart, marking (T0339)R192.C as missing WARNING: atoms too close: (T0339)H95.C and (T0339)R192.C only 0.000 apart, marking (T0339)R192.C as missing WARNING: atoms too close: (T0339)G94.C and (T0339)R192.C only 0.000 apart, marking (T0339)R192.C as missing WARNING: atoms too close: (T0339)K93.C and (T0339)R192.C only 0.000 apart, marking (T0339)R192.C as missing WARNING: atoms too close: (T0339)S92.C and (T0339)R192.C only 0.000 apart, marking (T0339)R192.C as missing WARNING: atoms too close: (T0339)T91.C and (T0339)R192.C only 0.000 apart, marking (T0339)R192.C as missing WARNING: atoms too close: (T0339)Q90.C and (T0339)R192.C only 0.000 apart, marking (T0339)R192.C as missing WARNING: atoms too close: (T0339)N89.C and (T0339)R192.C only 0.000 apart, marking (T0339)R192.C as missing WARNING: atoms too close: (T0339)R192.N and (T0339)V193.N only 0.000 apart, marking (T0339)R192.N as missing WARNING: atoms too close: (T0339)E191.N and (T0339)V193.N only 0.000 apart, marking (T0339)E191.N as missing WARNING: atoms too close: (T0339)Q190.N and (T0339)V193.N only 0.000 apart, marking (T0339)Q190.N as missing WARNING: atoms too close: (T0339)P139.N and (T0339)V193.N only 0.000 apart, marking (T0339)P139.N as missing WARNING: atoms too close: (T0339)V128.N and (T0339)V193.N only 0.000 apart, marking (T0339)V128.N as missing WARNING: atoms too close: (T0339)G105.N and (T0339)V193.N only 0.000 apart, marking (T0339)G105.N as missing WARNING: atoms too close: (T0339)K104.N and (T0339)V193.N only 0.000 apart, marking (T0339)K104.N as missing WARNING: atoms too close: (T0339)V103.N and (T0339)V193.N only 0.000 apart, marking (T0339)V103.N as missing WARNING: atoms too close: (T0339)P102.N and (T0339)V193.N only 0.000 apart, marking (T0339)P102.N as missing WARNING: atoms too close: (T0339)S101.N and (T0339)V193.N only 0.000 apart, marking (T0339)S101.N as missing WARNING: atoms too close: (T0339)H100.N and (T0339)V193.N only 0.000 apart, marking (T0339)H100.N as missing WARNING: atoms too close: (T0339)H99.N and (T0339)V193.N only 0.000 apart, marking (T0339)H99.N as missing WARNING: atoms too close: (T0339)G98.N and (T0339)V193.N only 0.000 apart, marking (T0339)G98.N as missing WARNING: atoms too close: (T0339)G97.N and (T0339)V193.N only 0.000 apart, marking (T0339)G97.N as missing WARNING: atoms too close: (T0339)T96.N and (T0339)V193.N only 0.000 apart, marking (T0339)T96.N as missing WARNING: atoms too close: (T0339)H95.N and (T0339)V193.N only 0.000 apart, marking (T0339)H95.N as missing WARNING: atoms too close: (T0339)G94.N and (T0339)V193.N only 0.000 apart, marking (T0339)G94.N as missing WARNING: atoms too close: (T0339)K93.N and (T0339)V193.N only 0.000 apart, marking (T0339)K93.N as missing WARNING: atoms too close: (T0339)S92.N and (T0339)V193.N only 0.000 apart, marking (T0339)S92.N as missing WARNING: atoms too close: (T0339)T91.N and (T0339)V193.N only 0.000 apart, marking (T0339)T91.N as missing WARNING: atoms too close: (T0339)Q90.N and (T0339)V193.N only 0.000 apart, marking (T0339)Q90.N as missing WARNING: atoms too close: (T0339)N89.N and (T0339)V193.N only 0.000 apart, marking (T0339)V193.N as missing WARNING: atoms too close: (T0339)R192.CA and (T0339)V193.CA only 0.000 apart, marking (T0339)V193.CA as missing WARNING: atoms too close: (T0339)E191.CA and (T0339)V193.CA only 0.000 apart, marking (T0339)V193.CA as missing WARNING: atoms too close: (T0339)Q190.CA and (T0339)V193.CA only 0.000 apart, marking (T0339)V193.CA as missing WARNING: atoms too close: (T0339)P139.CA and (T0339)V193.CA only 0.000 apart, marking (T0339)V193.CA as missing WARNING: atoms too close: (T0339)V128.CA and (T0339)V193.CA only 0.000 apart, marking (T0339)V193.CA as missing WARNING: atoms too close: (T0339)G105.CA and (T0339)V193.CA only 0.000 apart, marking (T0339)V193.CA as missing WARNING: atoms too close: (T0339)K104.CA and (T0339)V193.CA only 0.000 apart, marking (T0339)V193.CA as missing WARNING: atoms too close: (T0339)V103.CA and (T0339)V193.CA only 0.000 apart, marking (T0339)V193.CA as missing WARNING: atoms too close: (T0339)P102.CA and (T0339)V193.CA only 0.000 apart, marking (T0339)V193.CA as missing WARNING: atoms too close: (T0339)S101.CA and (T0339)V193.CA only 0.000 apart, marking (T0339)V193.CA as missing WARNING: atoms too close: (T0339)H100.CA and (T0339)V193.CA only 0.000 apart, marking (T0339)V193.CA as missing WARNING: atoms too close: (T0339)H99.CA and (T0339)V193.CA only 0.000 apart, marking (T0339)V193.CA as missing WARNING: atoms too close: (T0339)G98.CA and (T0339)V193.CA only 0.000 apart, marking (T0339)V193.CA as missing WARNING: atoms too close: (T0339)G97.CA and (T0339)V193.CA only 0.000 apart, marking (T0339)V193.CA as missing WARNING: atoms too close: (T0339)T96.CA and (T0339)V193.CA only 0.000 apart, marking (T0339)V193.CA as missing WARNING: atoms too close: (T0339)H95.CA and (T0339)V193.CA only 0.000 apart, marking (T0339)V193.CA as missing WARNING: atoms too close: (T0339)G94.CA and (T0339)V193.CA only 0.000 apart, marking (T0339)V193.CA as missing WARNING: atoms too close: (T0339)K93.CA and (T0339)V193.CA only 0.000 apart, marking (T0339)V193.CA as missing WARNING: atoms too close: (T0339)S92.CA and (T0339)V193.CA only 0.000 apart, marking (T0339)V193.CA as missing WARNING: atoms too close: (T0339)T91.CA and (T0339)V193.CA only 0.000 apart, marking (T0339)V193.CA as missing WARNING: atoms too close: (T0339)Q90.CA and (T0339)V193.CA only 0.000 apart, marking (T0339)V193.CA as missing WARNING: atoms too close: (T0339)N89.CA and (T0339)V193.CA only 0.000 apart, marking (T0339)V193.CA as missing WARNING: atoms too close: (T0339)R192.CB and (T0339)V193.CB only 0.000 apart, marking (T0339)V193.CB as missing WARNING: atoms too close: (T0339)E191.CB and (T0339)V193.CB only 0.000 apart, marking (T0339)V193.CB as missing WARNING: atoms too close: (T0339)Q190.CB and (T0339)V193.CB only 0.000 apart, marking (T0339)V193.CB as missing WARNING: atoms too close: (T0339)P139.CB and (T0339)V193.CB only 0.000 apart, marking (T0339)V193.CB as missing WARNING: atoms too close: (T0339)V128.CB and (T0339)V193.CB only 0.000 apart, marking (T0339)V193.CB as missing WARNING: atoms too close: (T0339)K104.CB and (T0339)V193.CB only 0.000 apart, marking (T0339)V193.CB as missing WARNING: atoms too close: (T0339)V103.CB and (T0339)V193.CB only 0.000 apart, marking (T0339)V193.CB as missing WARNING: atoms too close: (T0339)P102.CB and (T0339)V193.CB only 0.000 apart, marking (T0339)V193.CB as missing WARNING: atoms too close: (T0339)S101.CB and (T0339)V193.CB only 0.000 apart, marking (T0339)V193.CB as missing WARNING: atoms too close: (T0339)H100.CB and (T0339)V193.CB only 0.000 apart, marking (T0339)V193.CB as missing WARNING: atoms too close: (T0339)H99.CB and (T0339)V193.CB only 0.000 apart, marking (T0339)V193.CB as missing WARNING: atoms too close: (T0339)T96.CB and (T0339)V193.CB only 0.000 apart, marking (T0339)V193.CB as missing WARNING: atoms too close: (T0339)H95.CB and (T0339)V193.CB only 0.000 apart, marking (T0339)V193.CB as missing WARNING: atoms too close: (T0339)K93.CB and (T0339)V193.CB only 0.000 apart, marking (T0339)V193.CB as missing WARNING: atoms too close: (T0339)S92.CB and (T0339)V193.CB only 0.000 apart, marking (T0339)V193.CB as missing WARNING: atoms too close: (T0339)T91.CB and (T0339)V193.CB only 0.000 apart, marking (T0339)V193.CB as missing WARNING: atoms too close: (T0339)Q90.CB and (T0339)V193.CB only 0.000 apart, marking (T0339)V193.CB as missing WARNING: atoms too close: (T0339)N89.CB and (T0339)V193.CB only 0.000 apart, marking (T0339)V193.CB as missing WARNING: atoms too close: (T0339)R192.O and (T0339)V193.O only 0.000 apart, marking (T0339)V193.O as missing WARNING: atoms too close: (T0339)E191.O and (T0339)V193.O only 0.000 apart, marking (T0339)V193.O as missing WARNING: atoms too close: (T0339)Q190.O and (T0339)V193.O only 0.000 apart, marking (T0339)V193.O as missing WARNING: atoms too close: (T0339)P139.O and (T0339)V193.O only 0.000 apart, marking (T0339)V193.O as missing WARNING: atoms too close: (T0339)V128.O and (T0339)V193.O only 0.000 apart, marking (T0339)V193.O as missing WARNING: atoms too close: (T0339)G105.O and (T0339)V193.O only 0.000 apart, marking (T0339)V193.O as missing WARNING: atoms too close: (T0339)K104.O and (T0339)V193.O only 0.000 apart, marking (T0339)V193.O as missing WARNING: atoms too close: (T0339)V103.O and (T0339)V193.O only 0.000 apart, marking (T0339)V193.O as missing WARNING: atoms too close: (T0339)P102.O and (T0339)V193.O only 0.000 apart, marking (T0339)V193.O as missing WARNING: atoms too close: (T0339)S101.O and (T0339)V193.O only 0.000 apart, marking (T0339)V193.O as missing WARNING: atoms too close: (T0339)H100.O and (T0339)V193.O only 0.000 apart, marking (T0339)V193.O as missing WARNING: atoms too close: (T0339)H99.O and (T0339)V193.O only 0.000 apart, marking (T0339)V193.O as missing WARNING: atoms too close: (T0339)G98.O and (T0339)V193.O only 0.000 apart, marking (T0339)V193.O as missing WARNING: atoms too close: (T0339)G97.O and (T0339)V193.O only 0.000 apart, marking (T0339)V193.O as missing WARNING: atoms too close: (T0339)T96.O and (T0339)V193.O only 0.000 apart, marking (T0339)V193.O as missing WARNING: atoms too close: (T0339)H95.O and (T0339)V193.O only 0.000 apart, marking (T0339)V193.O as missing WARNING: atoms too close: (T0339)G94.O and (T0339)V193.O only 0.000 apart, marking (T0339)V193.O as missing WARNING: atoms too close: (T0339)K93.O and (T0339)V193.O only 0.000 apart, marking (T0339)V193.O as missing WARNING: atoms too close: (T0339)S92.O and (T0339)V193.O only 0.000 apart, marking (T0339)V193.O as missing WARNING: atoms too close: (T0339)T91.O and (T0339)V193.O only 0.000 apart, marking (T0339)V193.O as missing WARNING: atoms too close: (T0339)Q90.O and (T0339)V193.O only 0.000 apart, marking (T0339)V193.O as missing WARNING: atoms too close: (T0339)N89.O and (T0339)V193.O only 0.000 apart, marking (T0339)V193.O as missing WARNING: atoms too close: (T0339)R192.C and (T0339)V193.C only 0.000 apart, marking (T0339)V193.C as missing WARNING: atoms too close: (T0339)E191.C and (T0339)V193.C only 0.000 apart, marking (T0339)V193.C as missing WARNING: atoms too close: (T0339)Q190.C and (T0339)V193.C only 0.000 apart, marking (T0339)V193.C as missing WARNING: atoms too close: (T0339)P139.C and (T0339)V193.C only 0.000 apart, marking (T0339)V193.C as missing WARNING: atoms too close: (T0339)V128.C and (T0339)V193.C only 0.000 apart, marking (T0339)V193.C as missing WARNING: atoms too close: (T0339)G105.C and (T0339)V193.C only 0.000 apart, marking (T0339)V193.C as missing WARNING: atoms too close: (T0339)K104.C and (T0339)V193.C only 0.000 apart, marking (T0339)V193.C as missing WARNING: atoms too close: (T0339)V103.C and (T0339)V193.C only 0.000 apart, marking (T0339)V193.C as missing WARNING: atoms too close: (T0339)P102.C and (T0339)V193.C only 0.000 apart, marking (T0339)V193.C as missing WARNING: atoms too close: (T0339)S101.C and (T0339)V193.C only 0.000 apart, marking (T0339)V193.C as missing WARNING: atoms too close: (T0339)H100.C and (T0339)V193.C only 0.000 apart, marking (T0339)V193.C as missing WARNING: atoms too close: (T0339)H99.C and (T0339)V193.C only 0.000 apart, marking (T0339)V193.C as missing WARNING: atoms too close: (T0339)G98.C and (T0339)V193.C only 0.000 apart, marking (T0339)V193.C as missing WARNING: atoms too close: (T0339)G97.C and (T0339)V193.C only 0.000 apart, marking (T0339)V193.C as missing WARNING: atoms too close: (T0339)T96.C and (T0339)V193.C only 0.000 apart, marking (T0339)V193.C as missing WARNING: atoms too close: (T0339)H95.C and (T0339)V193.C only 0.000 apart, marking (T0339)V193.C as missing WARNING: atoms too close: (T0339)G94.C and (T0339)V193.C only 0.000 apart, marking (T0339)V193.C as missing WARNING: atoms too close: (T0339)K93.C and (T0339)V193.C only 0.000 apart, marking (T0339)V193.C as missing WARNING: atoms too close: (T0339)S92.C and (T0339)V193.C only 0.000 apart, marking (T0339)V193.C as missing WARNING: atoms too close: (T0339)T91.C and (T0339)V193.C only 0.000 apart, marking (T0339)V193.C as missing WARNING: atoms too close: (T0339)Q90.C and (T0339)V193.C only 0.000 apart, marking (T0339)V193.C as missing WARNING: atoms too close: (T0339)N89.C and (T0339)V193.C only 0.000 apart, marking (T0339)V193.C as missing WARNING: atoms too close: (T0339)V193.N and (T0339)A194.N only 0.000 apart, marking (T0339)V193.N as missing WARNING: atoms too close: (T0339)R192.N and (T0339)A194.N only 0.000 apart, marking (T0339)R192.N as missing WARNING: atoms too close: (T0339)E191.N and (T0339)A194.N only 0.000 apart, marking (T0339)E191.N as missing WARNING: atoms too close: (T0339)Q190.N and (T0339)A194.N only 0.000 apart, marking (T0339)Q190.N as missing WARNING: atoms too close: (T0339)P139.N and (T0339)A194.N only 0.000 apart, marking (T0339)P139.N as missing WARNING: atoms too close: (T0339)V128.N and (T0339)A194.N only 0.000 apart, marking (T0339)V128.N as missing WARNING: atoms too close: (T0339)G105.N and (T0339)A194.N only 0.000 apart, marking (T0339)G105.N as missing WARNING: atoms too close: (T0339)K104.N and (T0339)A194.N only 0.000 apart, marking (T0339)K104.N as missing WARNING: atoms too close: (T0339)V103.N and (T0339)A194.N only 0.000 apart, marking (T0339)V103.N as missing WARNING: atoms too close: (T0339)P102.N and (T0339)A194.N only 0.000 apart, marking (T0339)P102.N as missing WARNING: atoms too close: (T0339)S101.N and (T0339)A194.N only 0.000 apart, marking (T0339)S101.N as missing WARNING: atoms too close: (T0339)H100.N and (T0339)A194.N only 0.000 apart, marking (T0339)H100.N as missing WARNING: atoms too close: (T0339)H99.N and (T0339)A194.N only 0.000 apart, marking (T0339)H99.N as missing WARNING: atoms too close: (T0339)G98.N and (T0339)A194.N only 0.000 apart, marking (T0339)G98.N as missing WARNING: atoms too close: (T0339)G97.N and (T0339)A194.N only 0.000 apart, marking (T0339)G97.N as missing WARNING: atoms too close: (T0339)T96.N and (T0339)A194.N only 0.000 apart, marking (T0339)T96.N as missing WARNING: atoms too close: (T0339)H95.N and (T0339)A194.N only 0.000 apart, marking (T0339)H95.N as missing WARNING: atoms too close: (T0339)G94.N and (T0339)A194.N only 0.000 apart, marking (T0339)G94.N as missing WARNING: atoms too close: (T0339)K93.N and (T0339)A194.N only 0.000 apart, marking (T0339)K93.N as missing WARNING: atoms too close: (T0339)S92.N and (T0339)A194.N only 0.000 apart, marking (T0339)S92.N as missing WARNING: atoms too close: (T0339)T91.N and (T0339)A194.N only 0.000 apart, marking (T0339)T91.N as missing WARNING: atoms too close: (T0339)Q90.N and (T0339)A194.N only 0.000 apart, marking (T0339)Q90.N as missing WARNING: atoms too close: (T0339)N89.N and (T0339)A194.N only 0.000 apart, marking (T0339)A194.N as missing WARNING: atoms too close: (T0339)V193.CA and (T0339)A194.CA only 0.000 apart, marking (T0339)A194.CA as missing WARNING: atoms too close: (T0339)R192.CA and (T0339)A194.CA only 0.000 apart, marking (T0339)A194.CA as missing WARNING: atoms too close: (T0339)E191.CA and (T0339)A194.CA only 0.000 apart, marking (T0339)A194.CA as missing WARNING: atoms too close: (T0339)Q190.CA and (T0339)A194.CA only 0.000 apart, marking (T0339)A194.CA as missing WARNING: atoms too close: (T0339)P139.CA and (T0339)A194.CA only 0.000 apart, marking (T0339)A194.CA as missing WARNING: atoms too close: (T0339)V128.CA and (T0339)A194.CA only 0.000 apart, marking (T0339)A194.CA as missing WARNING: atoms too close: (T0339)G105.CA and (T0339)A194.CA only 0.000 apart, marking (T0339)A194.CA as missing WARNING: atoms too close: (T0339)K104.CA and (T0339)A194.CA only 0.000 apart, marking (T0339)A194.CA as missing WARNING: atoms too close: (T0339)V103.CA and (T0339)A194.CA only 0.000 apart, marking (T0339)A194.CA as missing WARNING: atoms too close: (T0339)P102.CA and (T0339)A194.CA only 0.000 apart, marking (T0339)A194.CA as missing WARNING: atoms too close: (T0339)S101.CA and (T0339)A194.CA only 0.000 apart, marking (T0339)A194.CA as missing WARNING: atoms too close: (T0339)H100.CA and (T0339)A194.CA only 0.000 apart, marking (T0339)A194.CA as missing WARNING: atoms too close: (T0339)H99.CA and (T0339)A194.CA only 0.000 apart, marking (T0339)A194.CA as missing WARNING: atoms too close: (T0339)G98.CA and (T0339)A194.CA only 0.000 apart, marking (T0339)A194.CA as missing WARNING: atoms too close: (T0339)G97.CA and (T0339)A194.CA only 0.000 apart, marking (T0339)A194.CA as missing WARNING: atoms too close: (T0339)T96.CA and (T0339)A194.CA only 0.000 apart, marking (T0339)A194.CA as missing WARNING: atoms too close: (T0339)H95.CA and (T0339)A194.CA only 0.000 apart, marking (T0339)A194.CA as missing WARNING: atoms too close: (T0339)G94.CA and (T0339)A194.CA only 0.000 apart, marking (T0339)A194.CA as missing WARNING: atoms too close: (T0339)K93.CA and (T0339)A194.CA only 0.000 apart, marking (T0339)A194.CA as missing WARNING: atoms too close: (T0339)S92.CA and (T0339)A194.CA only 0.000 apart, marking (T0339)A194.CA as missing WARNING: atoms too close: (T0339)T91.CA and (T0339)A194.CA only 0.000 apart, marking (T0339)A194.CA as missing WARNING: atoms too close: (T0339)Q90.CA and (T0339)A194.CA only 0.000 apart, marking (T0339)A194.CA as missing WARNING: atoms too close: (T0339)N89.CA and (T0339)A194.CA only 0.000 apart, marking (T0339)A194.CA as missing WARNING: atoms too close: (T0339)V193.CB and (T0339)A194.CB only 0.000 apart, marking (T0339)A194.CB as missing WARNING: atoms too close: (T0339)R192.CB and (T0339)A194.CB only 0.000 apart, marking (T0339)A194.CB as missing WARNING: atoms too close: (T0339)E191.CB and (T0339)A194.CB only 0.000 apart, marking (T0339)A194.CB as missing WARNING: atoms too close: (T0339)Q190.CB and (T0339)A194.CB only 0.000 apart, marking (T0339)A194.CB as missing WARNING: atoms too close: (T0339)P139.CB and (T0339)A194.CB only 0.000 apart, marking (T0339)A194.CB as missing WARNING: atoms too close: (T0339)V128.CB and (T0339)A194.CB only 0.000 apart, marking (T0339)A194.CB as missing WARNING: atoms too close: (T0339)K104.CB and (T0339)A194.CB only 0.000 apart, marking (T0339)A194.CB as missing WARNING: atoms too close: (T0339)V103.CB and (T0339)A194.CB only 0.000 apart, marking (T0339)A194.CB as missing WARNING: atoms too close: (T0339)P102.CB and (T0339)A194.CB only 0.000 apart, marking (T0339)A194.CB as missing WARNING: atoms too close: (T0339)S101.CB and (T0339)A194.CB only 0.000 apart, marking (T0339)A194.CB as missing WARNING: atoms too close: (T0339)H100.CB and (T0339)A194.CB only 0.000 apart, marking (T0339)A194.CB as missing WARNING: atoms too close: (T0339)H99.CB and (T0339)A194.CB only 0.000 apart, marking (T0339)A194.CB as missing WARNING: atoms too close: (T0339)T96.CB and (T0339)A194.CB only 0.000 apart, marking (T0339)A194.CB as missing WARNING: atoms too close: (T0339)H95.CB and (T0339)A194.CB only 0.000 apart, marking (T0339)A194.CB as missing WARNING: atoms too close: (T0339)K93.CB and (T0339)A194.CB only 0.000 apart, marking (T0339)A194.CB as missing WARNING: atoms too close: (T0339)S92.CB and (T0339)A194.CB only 0.000 apart, marking (T0339)A194.CB as missing WARNING: atoms too close: (T0339)T91.CB and (T0339)A194.CB only 0.000 apart, marking (T0339)A194.CB as missing WARNING: atoms too close: (T0339)Q90.CB and (T0339)A194.CB only 0.000 apart, marking (T0339)A194.CB as missing WARNING: atoms too close: (T0339)N89.CB and (T0339)A194.CB only 0.000 apart, marking (T0339)A194.CB as missing WARNING: atoms too close: (T0339)V193.O and (T0339)A194.O only 0.000 apart, marking (T0339)A194.O as missing WARNING: atoms too close: (T0339)R192.O and (T0339)A194.O only 0.000 apart, marking (T0339)A194.O as missing WARNING: atoms too close: (T0339)E191.O and (T0339)A194.O only 0.000 apart, marking (T0339)A194.O as missing WARNING: atoms too close: (T0339)Q190.O and (T0339)A194.O only 0.000 apart, marking (T0339)A194.O as missing WARNING: atoms too close: (T0339)P139.O and (T0339)A194.O only 0.000 apart, marking (T0339)A194.O as missing WARNING: atoms too close: (T0339)V128.O and (T0339)A194.O only 0.000 apart, marking (T0339)A194.O as missing WARNING: atoms too close: (T0339)G105.O and (T0339)A194.O only 0.000 apart, marking (T0339)A194.O as missing WARNING: atoms too close: (T0339)K104.O and (T0339)A194.O only 0.000 apart, marking (T0339)A194.O as missing WARNING: atoms too close: (T0339)V103.O and (T0339)A194.O only 0.000 apart, marking (T0339)A194.O as missing WARNING: atoms too close: (T0339)P102.O and (T0339)A194.O only 0.000 apart, marking (T0339)A194.O as missing WARNING: atoms too close: (T0339)S101.O and (T0339)A194.O only 0.000 apart, marking (T0339)A194.O as missing WARNING: atoms too close: (T0339)H100.O and (T0339)A194.O only 0.000 apart, marking (T0339)A194.O as missing WARNING: atoms too close: (T0339)H99.O and (T0339)A194.O only 0.000 apart, marking (T0339)A194.O as missing WARNING: atoms too close: (T0339)G98.O and (T0339)A194.O only 0.000 apart, marking (T0339)A194.O as missing WARNING: atoms too close: (T0339)G97.O and (T0339)A194.O only 0.000 apart, marking (T0339)A194.O as missing WARNING: atoms too close: (T0339)T96.O and (T0339)A194.O only 0.000 apart, marking (T0339)A194.O as missing WARNING: atoms too close: (T0339)H95.O and (T0339)A194.O only 0.000 apart, marking (T0339)A194.O as missing WARNING: atoms too close: (T0339)G94.O and (T0339)A194.O only 0.000 apart, marking (T0339)A194.O as missing WARNING: atoms too close: (T0339)K93.O and (T0339)A194.O only 0.000 apart, marking (T0339)A194.O as missing WARNING: atoms too close: (T0339)S92.O and (T0339)A194.O only 0.000 apart, marking (T0339)A194.O as missing WARNING: atoms too close: (T0339)T91.O and (T0339)A194.O only 0.000 apart, marking (T0339)A194.O as missing WARNING: atoms too close: (T0339)Q90.O and (T0339)A194.O only 0.000 apart, marking (T0339)A194.O as missing WARNING: atoms too close: (T0339)N89.O and (T0339)A194.O only 0.000 apart, marking (T0339)A194.O as missing WARNING: atoms too close: (T0339)V193.C and (T0339)A194.C only 0.000 apart, marking (T0339)A194.C as missing WARNING: atoms too close: (T0339)R192.C and (T0339)A194.C only 0.000 apart, marking (T0339)A194.C as missing WARNING: atoms too close: (T0339)E191.C and (T0339)A194.C only 0.000 apart, marking (T0339)A194.C as missing WARNING: atoms too close: (T0339)Q190.C and (T0339)A194.C only 0.000 apart, marking (T0339)A194.C as missing WARNING: atoms too close: (T0339)P139.C and (T0339)A194.C only 0.000 apart, marking (T0339)A194.C as missing WARNING: atoms too close: (T0339)V128.C and (T0339)A194.C only 0.000 apart, marking (T0339)A194.C as missing WARNING: atoms too close: (T0339)G105.C and (T0339)A194.C only 0.000 apart, marking (T0339)A194.C as missing WARNING: atoms too close: (T0339)K104.C and (T0339)A194.C only 0.000 apart, marking (T0339)A194.C as missing WARNING: atoms too close: (T0339)V103.C and (T0339)A194.C only 0.000 apart, marking (T0339)A194.C as missing WARNING: atoms too close: (T0339)P102.C and (T0339)A194.C only 0.000 apart, marking (T0339)A194.C as missing WARNING: atoms too close: (T0339)S101.C and (T0339)A194.C only 0.000 apart, marking (T0339)A194.C as missing WARNING: atoms too close: (T0339)H100.C and (T0339)A194.C only 0.000 apart, marking (T0339)A194.C as missing WARNING: atoms too close: (T0339)H99.C and (T0339)A194.C only 0.000 apart, marking (T0339)A194.C as missing WARNING: atoms too close: (T0339)G98.C and (T0339)A194.C only 0.000 apart, marking (T0339)A194.C as missing WARNING: atoms too close: (T0339)G97.C and (T0339)A194.C only 0.000 apart, marking (T0339)A194.C as missing WARNING: atoms too close: (T0339)T96.C and (T0339)A194.C only 0.000 apart, marking (T0339)A194.C as missing WARNING: atoms too close: (T0339)H95.C and (T0339)A194.C only 0.000 apart, marking (T0339)A194.C as missing WARNING: atoms too close: (T0339)G94.C and (T0339)A194.C only 0.000 apart, marking (T0339)A194.C as missing WARNING: atoms too close: (T0339)K93.C and (T0339)A194.C only 0.000 apart, marking (T0339)A194.C as missing WARNING: atoms too close: (T0339)S92.C and (T0339)A194.C only 0.000 apart, marking (T0339)A194.C as missing WARNING: atoms too close: (T0339)T91.C and (T0339)A194.C only 0.000 apart, marking (T0339)A194.C as missing WARNING: atoms too close: (T0339)Q90.C and (T0339)A194.C only 0.000 apart, marking (T0339)A194.C as missing WARNING: atoms too close: (T0339)N89.C and (T0339)A194.C only 0.000 apart, marking (T0339)A194.C as missing WARNING: atoms too close: (T0339)A194.N and (T0339)A195.N only 0.000 apart, marking (T0339)A194.N as missing WARNING: atoms too close: (T0339)V193.N and (T0339)A195.N only 0.000 apart, marking (T0339)V193.N as missing WARNING: atoms too close: (T0339)R192.N and (T0339)A195.N only 0.000 apart, marking (T0339)R192.N as missing WARNING: atoms too close: (T0339)E191.N and (T0339)A195.N only 0.000 apart, marking (T0339)E191.N as missing WARNING: atoms too close: (T0339)Q190.N and (T0339)A195.N only 0.000 apart, marking (T0339)Q190.N as missing WARNING: atoms too close: (T0339)P139.N and (T0339)A195.N only 0.000 apart, marking (T0339)P139.N as missing WARNING: atoms too close: (T0339)V128.N and (T0339)A195.N only 0.000 apart, marking (T0339)V128.N as missing WARNING: atoms too close: (T0339)G105.N and (T0339)A195.N only 0.000 apart, marking (T0339)G105.N as missing WARNING: atoms too close: (T0339)K104.N and (T0339)A195.N only 0.000 apart, marking (T0339)K104.N as missing WARNING: atoms too close: (T0339)V103.N and (T0339)A195.N only 0.000 apart, marking (T0339)V103.N as missing WARNING: atoms too close: (T0339)P102.N and (T0339)A195.N only 0.000 apart, marking (T0339)P102.N as missing WARNING: atoms too close: (T0339)S101.N and (T0339)A195.N only 0.000 apart, marking (T0339)S101.N as missing WARNING: atoms too close: (T0339)H100.N and (T0339)A195.N only 0.000 apart, marking (T0339)H100.N as missing WARNING: atoms too close: (T0339)H99.N and (T0339)A195.N only 0.000 apart, marking (T0339)H99.N as missing WARNING: atoms too close: (T0339)G98.N and (T0339)A195.N only 0.000 apart, marking (T0339)G98.N as missing WARNING: atoms too close: (T0339)G97.N and (T0339)A195.N only 0.000 apart, marking (T0339)G97.N as missing WARNING: atoms too close: (T0339)T96.N and (T0339)A195.N only 0.000 apart, marking (T0339)T96.N as missing WARNING: atoms too close: (T0339)H95.N and (T0339)A195.N only 0.000 apart, marking (T0339)H95.N as missing WARNING: atoms too close: (T0339)G94.N and (T0339)A195.N only 0.000 apart, marking (T0339)G94.N as missing WARNING: atoms too close: (T0339)K93.N and (T0339)A195.N only 0.000 apart, marking (T0339)K93.N as missing WARNING: atoms too close: (T0339)S92.N and (T0339)A195.N only 0.000 apart, marking (T0339)S92.N as missing WARNING: atoms too close: (T0339)T91.N and (T0339)A195.N only 0.000 apart, marking (T0339)T91.N as missing WARNING: atoms too close: (T0339)Q90.N and (T0339)A195.N only 0.000 apart, marking (T0339)Q90.N as missing WARNING: atoms too close: (T0339)N89.N and (T0339)A195.N only 0.000 apart, marking (T0339)A195.N as missing WARNING: atoms too close: (T0339)A194.CA and (T0339)A195.CA only 0.000 apart, marking (T0339)A195.CA as missing WARNING: atoms too close: (T0339)V193.CA and (T0339)A195.CA only 0.000 apart, marking (T0339)A195.CA as missing WARNING: atoms too close: (T0339)R192.CA and (T0339)A195.CA only 0.000 apart, marking (T0339)A195.CA as missing WARNING: atoms too close: (T0339)E191.CA and (T0339)A195.CA only 0.000 apart, marking (T0339)A195.CA as missing WARNING: atoms too close: (T0339)Q190.CA and (T0339)A195.CA only 0.000 apart, marking (T0339)A195.CA as missing WARNING: atoms too close: (T0339)P139.CA and (T0339)A195.CA only 0.000 apart, marking (T0339)A195.CA as missing WARNING: atoms too close: (T0339)V128.CA and (T0339)A195.CA only 0.000 apart, marking (T0339)A195.CA as missing WARNING: atoms too close: (T0339)G105.CA and (T0339)A195.CA only 0.000 apart, marking (T0339)A195.CA as missing WARNING: atoms too close: (T0339)K104.CA and (T0339)A195.CA only 0.000 apart, marking (T0339)A195.CA as missing WARNING: atoms too close: (T0339)V103.CA and (T0339)A195.CA only 0.000 apart, marking (T0339)A195.CA as missing WARNING: atoms too close: (T0339)P102.CA and (T0339)A195.CA only 0.000 apart, marking (T0339)A195.CA as missing WARNING: atoms too close: (T0339)S101.CA and (T0339)A195.CA only 0.000 apart, marking (T0339)A195.CA as missing WARNING: atoms too close: (T0339)H100.CA and (T0339)A195.CA only 0.000 apart, marking (T0339)A195.CA as missing WARNING: atoms too close: (T0339)H99.CA and (T0339)A195.CA only 0.000 apart, marking (T0339)A195.CA as missing WARNING: atoms too close: (T0339)G98.CA and (T0339)A195.CA only 0.000 apart, marking (T0339)A195.CA as missing WARNING: atoms too close: (T0339)G97.CA and (T0339)A195.CA only 0.000 apart, marking (T0339)A195.CA as missing WARNING: atoms too close: (T0339)T96.CA and (T0339)A195.CA only 0.000 apart, marking (T0339)A195.CA as missing WARNING: atoms too close: (T0339)H95.CA and (T0339)A195.CA only 0.000 apart, marking (T0339)A195.CA as missing WARNING: atoms too close: (T0339)G94.CA and (T0339)A195.CA only 0.000 apart, marking (T0339)A195.CA as missing WARNING: atoms too close: (T0339)K93.CA and (T0339)A195.CA only 0.000 apart, marking (T0339)A195.CA as missing WARNING: atoms too close: (T0339)S92.CA and (T0339)A195.CA only 0.000 apart, marking (T0339)A195.CA as missing WARNING: atoms too close: (T0339)T91.CA and (T0339)A195.CA only 0.000 apart, marking (T0339)A195.CA as missing WARNING: atoms too close: (T0339)Q90.CA and (T0339)A195.CA only 0.000 apart, marking (T0339)A195.CA as missing WARNING: atoms too close: (T0339)N89.CA and (T0339)A195.CA only 0.000 apart, marking (T0339)A195.CA as missing WARNING: atoms too close: (T0339)A194.CB and (T0339)A195.CB only 0.000 apart, marking (T0339)A195.CB as missing WARNING: atoms too close: (T0339)V193.CB and (T0339)A195.CB only 0.000 apart, marking (T0339)A195.CB as missing WARNING: atoms too close: (T0339)R192.CB and (T0339)A195.CB only 0.000 apart, marking (T0339)A195.CB as missing WARNING: atoms too close: (T0339)E191.CB and (T0339)A195.CB only 0.000 apart, marking (T0339)A195.CB as missing WARNING: atoms too close: (T0339)Q190.CB and (T0339)A195.CB only 0.000 apart, marking (T0339)A195.CB as missing WARNING: atoms too close: (T0339)P139.CB and (T0339)A195.CB only 0.000 apart, marking (T0339)A195.CB as missing WARNING: atoms too close: (T0339)V128.CB and (T0339)A195.CB only 0.000 apart, marking (T0339)A195.CB as missing WARNING: atoms too close: (T0339)K104.CB and (T0339)A195.CB only 0.000 apart, marking (T0339)A195.CB as missing WARNING: atoms too close: (T0339)V103.CB and (T0339)A195.CB only 0.000 apart, marking (T0339)A195.CB as missing WARNING: atoms too close: (T0339)P102.CB and (T0339)A195.CB only 0.000 apart, marking (T0339)A195.CB as missing WARNING: atoms too close: (T0339)S101.CB and (T0339)A195.CB only 0.000 apart, marking (T0339)A195.CB as missing WARNING: atoms too close: (T0339)H100.CB and (T0339)A195.CB only 0.000 apart, marking (T0339)A195.CB as missing WARNING: atoms too close: (T0339)H99.CB and (T0339)A195.CB only 0.000 apart, marking (T0339)A195.CB as missing WARNING: atoms too close: (T0339)T96.CB and (T0339)A195.CB only 0.000 apart, marking (T0339)A195.CB as missing WARNING: atoms too close: (T0339)H95.CB and (T0339)A195.CB only 0.000 apart, marking (T0339)A195.CB as missing WARNING: atoms too close: (T0339)K93.CB and (T0339)A195.CB only 0.000 apart, marking (T0339)A195.CB as missing WARNING: atoms too close: (T0339)S92.CB and (T0339)A195.CB only 0.000 apart, marking (T0339)A195.CB as missing WARNING: atoms too close: (T0339)T91.CB and (T0339)A195.CB only 0.000 apart, marking (T0339)A195.CB as missing WARNING: atoms too close: (T0339)Q90.CB and (T0339)A195.CB only 0.000 apart, marking (T0339)A195.CB as missing WARNING: atoms too close: (T0339)N89.CB and (T0339)A195.CB only 0.000 apart, marking (T0339)A195.CB as missing WARNING: atoms too close: (T0339)A194.O and (T0339)A195.O only 0.000 apart, marking (T0339)A195.O as missing WARNING: atoms too close: (T0339)V193.O and (T0339)A195.O only 0.000 apart, marking (T0339)A195.O as missing WARNING: atoms too close: (T0339)R192.O and (T0339)A195.O only 0.000 apart, marking (T0339)A195.O as missing WARNING: atoms too close: (T0339)E191.O and (T0339)A195.O only 0.000 apart, marking (T0339)A195.O as missing WARNING: atoms too close: (T0339)Q190.O and (T0339)A195.O only 0.000 apart, marking (T0339)A195.O as missing WARNING: atoms too close: (T0339)P139.O and (T0339)A195.O only 0.000 apart, marking (T0339)A195.O as missing WARNING: atoms too close: (T0339)V128.O and (T0339)A195.O only 0.000 apart, marking (T0339)A195.O as missing WARNING: atoms too close: (T0339)G105.O and (T0339)A195.O only 0.000 apart, marking (T0339)A195.O as missing WARNING: atoms too close: (T0339)K104.O and (T0339)A195.O only 0.000 apart, marking (T0339)A195.O as missing WARNING: atoms too close: (T0339)V103.O and (T0339)A195.O only 0.000 apart, marking (T0339)A195.O as missing WARNING: atoms too close: (T0339)P102.O and (T0339)A195.O only 0.000 apart, marking (T0339)A195.O as missing WARNING: atoms too close: (T0339)S101.O and (T0339)A195.O only 0.000 apart, marking (T0339)A195.O as missing WARNING: atoms too close: (T0339)H100.O and (T0339)A195.O only 0.000 apart, marking (T0339)A195.O as missing WARNING: atoms too close: (T0339)H99.O and (T0339)A195.O only 0.000 apart, marking (T0339)A195.O as missing WARNING: atoms too close: (T0339)G98.O and (T0339)A195.O only 0.000 apart, marking (T0339)A195.O as missing WARNING: atoms too close: (T0339)G97.O and (T0339)A195.O only 0.000 apart, marking (T0339)A195.O as missing WARNING: atoms too close: (T0339)T96.O and (T0339)A195.O only 0.000 apart, marking (T0339)A195.O as missing WARNING: atoms too close: (T0339)H95.O and (T0339)A195.O only 0.000 apart, marking (T0339)A195.O as missing WARNING: atoms too close: (T0339)G94.O and (T0339)A195.O only 0.000 apart, marking (T0339)A195.O as missing WARNING: atoms too close: (T0339)K93.O and (T0339)A195.O only 0.000 apart, marking (T0339)A195.O as missing WARNING: atoms too close: (T0339)S92.O and (T0339)A195.O only 0.000 apart, marking (T0339)A195.O as missing WARNING: atoms too close: (T0339)T91.O and (T0339)A195.O only 0.000 apart, marking (T0339)A195.O as missing WARNING: atoms too close: (T0339)Q90.O and (T0339)A195.O only 0.000 apart, marking (T0339)A195.O as missing WARNING: atoms too close: (T0339)N89.O and (T0339)A195.O only 0.000 apart, marking (T0339)A195.O as missing WARNING: atoms too close: (T0339)A194.C and (T0339)A195.C only 0.000 apart, marking (T0339)A195.C as missing WARNING: atoms too close: (T0339)V193.C and (T0339)A195.C only 0.000 apart, marking (T0339)A195.C as missing WARNING: atoms too close: (T0339)R192.C and (T0339)A195.C only 0.000 apart, marking (T0339)A195.C as missing WARNING: atoms too close: (T0339)E191.C and (T0339)A195.C only 0.000 apart, marking (T0339)A195.C as missing WARNING: atoms too close: (T0339)Q190.C and (T0339)A195.C only 0.000 apart, marking (T0339)A195.C as missing WARNING: atoms too close: (T0339)P139.C and (T0339)A195.C only 0.000 apart, marking (T0339)A195.C as missing WARNING: atoms too close: (T0339)V128.C and (T0339)A195.C only 0.000 apart, marking (T0339)A195.C as missing WARNING: atoms too close: (T0339)G105.C and (T0339)A195.C only 0.000 apart, marking (T0339)A195.C as missing WARNING: atoms too close: (T0339)K104.C and (T0339)A195.C only 0.000 apart, marking (T0339)A195.C as missing WARNING: atoms too close: (T0339)V103.C and (T0339)A195.C only 0.000 apart, marking (T0339)A195.C as missing WARNING: atoms too close: (T0339)P102.C and (T0339)A195.C only 0.000 apart, marking (T0339)A195.C as missing WARNING: atoms too close: (T0339)S101.C and (T0339)A195.C only 0.000 apart, marking (T0339)A195.C as missing WARNING: atoms too close: (T0339)H100.C and (T0339)A195.C only 0.000 apart, marking (T0339)A195.C as missing WARNING: atoms too close: (T0339)H99.C and (T0339)A195.C only 0.000 apart, marking (T0339)A195.C as missing WARNING: atoms too close: (T0339)G98.C and (T0339)A195.C only 0.000 apart, marking (T0339)A195.C as missing WARNING: atoms too close: (T0339)G97.C and (T0339)A195.C only 0.000 apart, marking (T0339)A195.C as missing WARNING: atoms too close: (T0339)T96.C and (T0339)A195.C only 0.000 apart, marking (T0339)A195.C as missing WARNING: atoms too close: (T0339)H95.C and (T0339)A195.C only 0.000 apart, marking (T0339)A195.C as missing WARNING: atoms too close: (T0339)G94.C and (T0339)A195.C only 0.000 apart, marking (T0339)A195.C as missing WARNING: atoms too close: (T0339)K93.C and (T0339)A195.C only 0.000 apart, marking (T0339)A195.C as missing WARNING: atoms too close: (T0339)S92.C and (T0339)A195.C only 0.000 apart, marking (T0339)A195.C as missing WARNING: atoms too close: (T0339)T91.C and (T0339)A195.C only 0.000 apart, marking (T0339)A195.C as missing WARNING: atoms too close: (T0339)Q90.C and (T0339)A195.C only 0.000 apart, marking (T0339)A195.C as missing WARNING: atoms too close: (T0339)N89.C and (T0339)A195.C only 0.000 apart, marking (T0339)A195.C as missing WARNING: atoms too close: (T0339)A195.N and (T0339)G196.N only 0.000 apart, marking (T0339)A195.N as missing WARNING: atoms too close: (T0339)A194.N and (T0339)G196.N only 0.000 apart, marking (T0339)A194.N as missing WARNING: atoms too close: (T0339)V193.N and (T0339)G196.N only 0.000 apart, marking (T0339)V193.N as missing WARNING: atoms too close: (T0339)R192.N and (T0339)G196.N only 0.000 apart, marking (T0339)R192.N as missing WARNING: atoms too close: (T0339)E191.N and (T0339)G196.N only 0.000 apart, marking (T0339)E191.N as missing WARNING: atoms too close: (T0339)Q190.N and (T0339)G196.N only 0.000 apart, marking (T0339)Q190.N as missing WARNING: atoms too close: (T0339)P139.N and (T0339)G196.N only 0.000 apart, marking (T0339)P139.N as missing WARNING: atoms too close: (T0339)V128.N and (T0339)G196.N only 0.000 apart, marking (T0339)V128.N as missing WARNING: atoms too close: (T0339)G105.N and (T0339)G196.N only 0.000 apart, marking (T0339)G105.N as missing WARNING: atoms too close: (T0339)K104.N and (T0339)G196.N only 0.000 apart, marking (T0339)K104.N as missing WARNING: atoms too close: (T0339)V103.N and (T0339)G196.N only 0.000 apart, marking (T0339)V103.N as missing WARNING: atoms too close: (T0339)P102.N and (T0339)G196.N only 0.000 apart, marking (T0339)P102.N as missing WARNING: atoms too close: (T0339)S101.N and (T0339)G196.N only 0.000 apart, marking (T0339)S101.N as missing WARNING: atoms too close: (T0339)H100.N and (T0339)G196.N only 0.000 apart, marking (T0339)H100.N as missing WARNING: atoms too close: (T0339)H99.N and (T0339)G196.N only 0.000 apart, marking (T0339)H99.N as missing WARNING: atoms too close: (T0339)G98.N and (T0339)G196.N only 0.000 apart, marking (T0339)G98.N as missing WARNING: atoms too close: (T0339)G97.N and (T0339)G196.N only 0.000 apart, marking (T0339)G97.N as missing WARNING: atoms too close: (T0339)T96.N and (T0339)G196.N only 0.000 apart, marking (T0339)T96.N as missing WARNING: atoms too close: (T0339)H95.N and (T0339)G196.N only 0.000 apart, marking (T0339)H95.N as missing WARNING: atoms too close: (T0339)G94.N and (T0339)G196.N only 0.000 apart, marking (T0339)G94.N as missing WARNING: atoms too close: (T0339)K93.N and (T0339)G196.N only 0.000 apart, marking (T0339)K93.N as missing WARNING: atoms too close: (T0339)S92.N and (T0339)G196.N only 0.000 apart, marking (T0339)S92.N as missing WARNING: atoms too close: (T0339)T91.N and (T0339)G196.N only 0.000 apart, marking (T0339)T91.N as missing WARNING: atoms too close: (T0339)Q90.N and (T0339)G196.N only 0.000 apart, marking (T0339)Q90.N as missing WARNING: atoms too close: (T0339)N89.N and (T0339)G196.N only 0.000 apart, marking (T0339)G196.N as missing WARNING: atoms too close: (T0339)A195.CA and (T0339)G196.CA only 0.000 apart, marking (T0339)G196.CA as missing WARNING: atoms too close: (T0339)A194.CA and (T0339)G196.CA only 0.000 apart, marking (T0339)G196.CA as missing WARNING: atoms too close: (T0339)V193.CA and (T0339)G196.CA only 0.000 apart, marking (T0339)G196.CA as missing WARNING: atoms too close: (T0339)R192.CA and (T0339)G196.CA only 0.000 apart, marking (T0339)G196.CA as missing WARNING: atoms too close: (T0339)E191.CA and (T0339)G196.CA only 0.000 apart, marking (T0339)G196.CA as missing WARNING: atoms too close: (T0339)Q190.CA and (T0339)G196.CA only 0.000 apart, marking (T0339)G196.CA as missing WARNING: atoms too close: (T0339)P139.CA and (T0339)G196.CA only 0.000 apart, marking (T0339)G196.CA as missing WARNING: atoms too close: (T0339)V128.CA and (T0339)G196.CA only 0.000 apart, marking (T0339)G196.CA as missing WARNING: atoms too close: (T0339)G105.CA and (T0339)G196.CA only 0.000 apart, marking (T0339)G196.CA as missing WARNING: atoms too close: (T0339)K104.CA and (T0339)G196.CA only 0.000 apart, marking (T0339)G196.CA as missing WARNING: atoms too close: (T0339)V103.CA and (T0339)G196.CA only 0.000 apart, marking (T0339)G196.CA as missing WARNING: atoms too close: (T0339)P102.CA and (T0339)G196.CA only 0.000 apart, marking (T0339)G196.CA as missing WARNING: atoms too close: (T0339)S101.CA and (T0339)G196.CA only 0.000 apart, marking (T0339)G196.CA as missing WARNING: atoms too close: (T0339)H100.CA and (T0339)G196.CA only 0.000 apart, marking (T0339)G196.CA as missing WARNING: atoms too close: (T0339)H99.CA and (T0339)G196.CA only 0.000 apart, marking (T0339)G196.CA as missing WARNING: atoms too close: (T0339)G98.CA and (T0339)G196.CA only 0.000 apart, marking (T0339)G196.CA as missing WARNING: atoms too close: (T0339)G97.CA and (T0339)G196.CA only 0.000 apart, marking (T0339)G196.CA as missing WARNING: atoms too close: (T0339)T96.CA and (T0339)G196.CA only 0.000 apart, marking (T0339)G196.CA as missing WARNING: atoms too close: (T0339)H95.CA and (T0339)G196.CA only 0.000 apart, marking (T0339)G196.CA as missing WARNING: atoms too close: (T0339)G94.CA and (T0339)G196.CA only 0.000 apart, marking (T0339)G196.CA as missing WARNING: atoms too close: (T0339)K93.CA and (T0339)G196.CA only 0.000 apart, marking (T0339)G196.CA as missing WARNING: atoms too close: (T0339)S92.CA and (T0339)G196.CA only 0.000 apart, marking (T0339)G196.CA as missing WARNING: atoms too close: (T0339)T91.CA and (T0339)G196.CA only 0.000 apart, marking (T0339)G196.CA as missing WARNING: atoms too close: (T0339)Q90.CA and (T0339)G196.CA only 0.000 apart, marking (T0339)G196.CA as missing WARNING: atoms too close: (T0339)N89.CA and (T0339)G196.CA only 0.000 apart, marking (T0339)G196.CA as missing WARNING: atoms too close: (T0339)A195.O and (T0339)G196.O only 0.000 apart, marking (T0339)G196.O as missing WARNING: atoms too close: (T0339)A194.O and (T0339)G196.O only 0.000 apart, marking (T0339)G196.O as missing WARNING: atoms too close: (T0339)V193.O and (T0339)G196.O only 0.000 apart, marking (T0339)G196.O as missing WARNING: atoms too close: (T0339)R192.O and (T0339)G196.O only 0.000 apart, marking (T0339)G196.O as missing WARNING: atoms too close: (T0339)E191.O and (T0339)G196.O only 0.000 apart, marking (T0339)G196.O as missing WARNING: atoms too close: (T0339)Q190.O and (T0339)G196.O only 0.000 apart, marking (T0339)G196.O as missing WARNING: atoms too close: (T0339)P139.O and (T0339)G196.O only 0.000 apart, marking (T0339)G196.O as missing WARNING: atoms too close: (T0339)V128.O and (T0339)G196.O only 0.000 apart, marking (T0339)G196.O as missing WARNING: atoms too close: (T0339)G105.O and (T0339)G196.O only 0.000 apart, marking (T0339)G196.O as missing WARNING: atoms too close: (T0339)K104.O and (T0339)G196.O only 0.000 apart, marking (T0339)G196.O as missing WARNING: atoms too close: (T0339)V103.O and (T0339)G196.O only 0.000 apart, marking (T0339)G196.O as missing WARNING: atoms too close: (T0339)P102.O and (T0339)G196.O only 0.000 apart, marking (T0339)G196.O as missing WARNING: atoms too close: (T0339)S101.O and (T0339)G196.O only 0.000 apart, marking (T0339)G196.O as missing WARNING: atoms too close: (T0339)H100.O and (T0339)G196.O only 0.000 apart, marking (T0339)G196.O as missing WARNING: atoms too close: (T0339)H99.O and (T0339)G196.O only 0.000 apart, marking (T0339)G196.O as missing WARNING: atoms too close: (T0339)G98.O and (T0339)G196.O only 0.000 apart, marking (T0339)G196.O as missing WARNING: atoms too close: (T0339)G97.O and (T0339)G196.O only 0.000 apart, marking (T0339)G196.O as missing WARNING: atoms too close: (T0339)T96.O and (T0339)G196.O only 0.000 apart, marking (T0339)G196.O as missing WARNING: atoms too close: (T0339)H95.O and (T0339)G196.O only 0.000 apart, marking (T0339)G196.O as missing WARNING: atoms too close: (T0339)G94.O and (T0339)G196.O only 0.000 apart, marking (T0339)G196.O as missing WARNING: atoms too close: (T0339)K93.O and (T0339)G196.O only 0.000 apart, marking (T0339)G196.O as missing WARNING: atoms too close: (T0339)S92.O and (T0339)G196.O only 0.000 apart, marking (T0339)G196.O as missing WARNING: atoms too close: (T0339)T91.O and (T0339)G196.O only 0.000 apart, marking (T0339)G196.O as missing WARNING: atoms too close: (T0339)Q90.O and (T0339)G196.O only 0.000 apart, marking (T0339)G196.O as missing WARNING: atoms too close: (T0339)N89.O and (T0339)G196.O only 0.000 apart, marking (T0339)G196.O as missing WARNING: atoms too close: (T0339)A195.C and (T0339)G196.C only 0.000 apart, marking (T0339)G196.C as missing WARNING: atoms too close: (T0339)A194.C and (T0339)G196.C only 0.000 apart, marking (T0339)G196.C as missing WARNING: atoms too close: (T0339)V193.C and (T0339)G196.C only 0.000 apart, marking (T0339)G196.C as missing WARNING: atoms too close: (T0339)R192.C and (T0339)G196.C only 0.000 apart, marking (T0339)G196.C as missing WARNING: atoms too close: (T0339)E191.C and (T0339)G196.C only 0.000 apart, marking (T0339)G196.C as missing WARNING: atoms too close: (T0339)Q190.C and (T0339)G196.C only 0.000 apart, marking (T0339)G196.C as missing WARNING: atoms too close: (T0339)P139.C and (T0339)G196.C only 0.000 apart, marking (T0339)G196.C as missing WARNING: atoms too close: (T0339)V128.C and (T0339)G196.C only 0.000 apart, marking (T0339)G196.C as missing WARNING: atoms too close: (T0339)G105.C and (T0339)G196.C only 0.000 apart, marking (T0339)G196.C as missing WARNING: atoms too close: (T0339)K104.C and (T0339)G196.C only 0.000 apart, marking (T0339)G196.C as missing WARNING: atoms too close: (T0339)V103.C and (T0339)G196.C only 0.000 apart, marking (T0339)G196.C as missing WARNING: atoms too close: (T0339)P102.C and (T0339)G196.C only 0.000 apart, marking (T0339)G196.C as missing WARNING: atoms too close: (T0339)S101.C and (T0339)G196.C only 0.000 apart, marking (T0339)G196.C as missing WARNING: atoms too close: (T0339)H100.C and (T0339)G196.C only 0.000 apart, marking (T0339)G196.C as missing WARNING: atoms too close: (T0339)H99.C and (T0339)G196.C only 0.000 apart, marking (T0339)G196.C as missing WARNING: atoms too close: (T0339)G98.C and (T0339)G196.C only 0.000 apart, marking (T0339)G196.C as missing WARNING: atoms too close: (T0339)G97.C and (T0339)G196.C only 0.000 apart, marking (T0339)G196.C as missing WARNING: atoms too close: (T0339)T96.C and (T0339)G196.C only 0.000 apart, marking (T0339)G196.C as missing WARNING: atoms too close: (T0339)H95.C and (T0339)G196.C only 0.000 apart, marking (T0339)G196.C as missing WARNING: atoms too close: (T0339)G94.C and (T0339)G196.C only 0.000 apart, marking (T0339)G196.C as missing WARNING: atoms too close: (T0339)K93.C and (T0339)G196.C only 0.000 apart, marking (T0339)G196.C as missing WARNING: atoms too close: (T0339)S92.C and (T0339)G196.C only 0.000 apart, marking (T0339)G196.C as missing WARNING: atoms too close: (T0339)T91.C and (T0339)G196.C only 0.000 apart, marking (T0339)G196.C as missing WARNING: atoms too close: (T0339)Q90.C and (T0339)G196.C only 0.000 apart, marking (T0339)G196.C as missing WARNING: atoms too close: (T0339)N89.C and (T0339)G196.C only 0.000 apart, marking (T0339)G196.C as missing WARNING: atoms too close: (T0339)G196.N and (T0339)L197.N only 0.000 apart, marking (T0339)G196.N as missing WARNING: atoms too close: (T0339)A195.N and (T0339)L197.N only 0.000 apart, marking (T0339)A195.N as missing WARNING: atoms too close: (T0339)A194.N and (T0339)L197.N only 0.000 apart, marking (T0339)A194.N as missing WARNING: atoms too close: (T0339)V193.N and (T0339)L197.N only 0.000 apart, marking (T0339)V193.N as missing WARNING: atoms too close: (T0339)R192.N and (T0339)L197.N only 0.000 apart, marking (T0339)R192.N as missing WARNING: atoms too close: (T0339)E191.N and (T0339)L197.N only 0.000 apart, marking (T0339)E191.N as missing WARNING: atoms too close: (T0339)Q190.N and (T0339)L197.N only 0.000 apart, marking (T0339)Q190.N as missing WARNING: atoms too close: (T0339)P139.N and (T0339)L197.N only 0.000 apart, marking (T0339)P139.N as missing WARNING: atoms too close: (T0339)V128.N and (T0339)L197.N only 0.000 apart, marking (T0339)V128.N as missing WARNING: atoms too close: (T0339)G105.N and (T0339)L197.N only 0.000 apart, marking (T0339)G105.N as missing WARNING: atoms too close: (T0339)K104.N and (T0339)L197.N only 0.000 apart, marking (T0339)K104.N as missing WARNING: atoms too close: (T0339)V103.N and (T0339)L197.N only 0.000 apart, marking (T0339)V103.N as missing WARNING: atoms too close: (T0339)P102.N and (T0339)L197.N only 0.000 apart, marking (T0339)P102.N as missing WARNING: atoms too close: (T0339)S101.N and (T0339)L197.N only 0.000 apart, marking (T0339)S101.N as missing WARNING: atoms too close: (T0339)H100.N and (T0339)L197.N only 0.000 apart, marking (T0339)H100.N as missing WARNING: atoms too close: (T0339)H99.N and (T0339)L197.N only 0.000 apart, marking (T0339)H99.N as missing WARNING: atoms too close: (T0339)G98.N and (T0339)L197.N only 0.000 apart, marking (T0339)G98.N as missing WARNING: atoms too close: (T0339)G97.N and (T0339)L197.N only 0.000 apart, marking (T0339)G97.N as missing WARNING: atoms too close: (T0339)T96.N and (T0339)L197.N only 0.000 apart, marking (T0339)T96.N as missing WARNING: atoms too close: (T0339)H95.N and (T0339)L197.N only 0.000 apart, marking (T0339)H95.N as missing WARNING: atoms too close: (T0339)G94.N and (T0339)L197.N only 0.000 apart, marking (T0339)G94.N as missing WARNING: atoms too close: (T0339)K93.N and (T0339)L197.N only 0.000 apart, marking (T0339)K93.N as missing WARNING: atoms too close: (T0339)S92.N and (T0339)L197.N only 0.000 apart, marking (T0339)S92.N as missing WARNING: atoms too close: (T0339)T91.N and (T0339)L197.N only 0.000 apart, marking (T0339)T91.N as missing WARNING: atoms too close: (T0339)Q90.N and (T0339)L197.N only 0.000 apart, marking (T0339)Q90.N as missing WARNING: atoms too close: (T0339)N89.N and (T0339)L197.N only 0.000 apart, marking (T0339)L197.N as missing WARNING: atoms too close: (T0339)G196.CA and (T0339)L197.CA only 0.000 apart, marking (T0339)L197.CA as missing WARNING: atoms too close: (T0339)A195.CA and (T0339)L197.CA only 0.000 apart, marking (T0339)L197.CA as missing WARNING: atoms too close: (T0339)A194.CA and (T0339)L197.CA only 0.000 apart, marking (T0339)L197.CA as missing WARNING: atoms too close: (T0339)V193.CA and (T0339)L197.CA only 0.000 apart, marking (T0339)L197.CA as missing WARNING: atoms too close: (T0339)R192.CA and (T0339)L197.CA only 0.000 apart, marking (T0339)L197.CA as missing WARNING: atoms too close: (T0339)E191.CA and (T0339)L197.CA only 0.000 apart, marking (T0339)L197.CA as missing WARNING: atoms too close: (T0339)Q190.CA and (T0339)L197.CA only 0.000 apart, marking (T0339)L197.CA as missing WARNING: atoms too close: (T0339)P139.CA and (T0339)L197.CA only 0.000 apart, marking (T0339)L197.CA as missing WARNING: atoms too close: (T0339)V128.CA and (T0339)L197.CA only 0.000 apart, marking (T0339)L197.CA as missing WARNING: atoms too close: (T0339)G105.CA and (T0339)L197.CA only 0.000 apart, marking (T0339)L197.CA as missing WARNING: atoms too close: (T0339)K104.CA and (T0339)L197.CA only 0.000 apart, marking (T0339)L197.CA as missing WARNING: atoms too close: (T0339)V103.CA and (T0339)L197.CA only 0.000 apart, marking (T0339)L197.CA as missing WARNING: atoms too close: (T0339)P102.CA and (T0339)L197.CA only 0.000 apart, marking (T0339)L197.CA as missing WARNING: atoms too close: (T0339)S101.CA and (T0339)L197.CA only 0.000 apart, marking (T0339)L197.CA as missing WARNING: atoms too close: (T0339)H100.CA and (T0339)L197.CA only 0.000 apart, marking (T0339)L197.CA as missing WARNING: atoms too close: (T0339)H99.CA and (T0339)L197.CA only 0.000 apart, marking (T0339)L197.CA as missing WARNING: atoms too close: (T0339)G98.CA and (T0339)L197.CA only 0.000 apart, marking (T0339)L197.CA as missing WARNING: atoms too close: (T0339)G97.CA and (T0339)L197.CA only 0.000 apart, marking (T0339)L197.CA as missing WARNING: atoms too close: (T0339)T96.CA and (T0339)L197.CA only 0.000 apart, marking (T0339)L197.CA as missing WARNING: atoms too close: (T0339)H95.CA and (T0339)L197.CA only 0.000 apart, marking (T0339)L197.CA as missing WARNING: atoms too close: (T0339)G94.CA and (T0339)L197.CA only 0.000 apart, marking (T0339)L197.CA as missing WARNING: atoms too close: (T0339)K93.CA and (T0339)L197.CA only 0.000 apart, marking (T0339)L197.CA as missing WARNING: atoms too close: (T0339)S92.CA and (T0339)L197.CA only 0.000 apart, marking (T0339)L197.CA as missing WARNING: atoms too close: (T0339)T91.CA and (T0339)L197.CA only 0.000 apart, marking (T0339)L197.CA as missing WARNING: atoms too close: (T0339)Q90.CA and (T0339)L197.CA only 0.000 apart, marking (T0339)L197.CA as missing WARNING: atoms too close: (T0339)N89.CA and (T0339)L197.CA only 0.000 apart, marking (T0339)L197.CA as missing WARNING: atoms too close: (T0339)A195.CB and (T0339)L197.CB only 0.000 apart, marking (T0339)L197.CB as missing WARNING: atoms too close: (T0339)A194.CB and (T0339)L197.CB only 0.000 apart, marking (T0339)L197.CB as missing WARNING: atoms too close: (T0339)V193.CB and (T0339)L197.CB only 0.000 apart, marking (T0339)L197.CB as missing WARNING: atoms too close: (T0339)R192.CB and (T0339)L197.CB only 0.000 apart, marking (T0339)L197.CB as missing WARNING: atoms too close: (T0339)E191.CB and (T0339)L197.CB only 0.000 apart, marking (T0339)L197.CB as missing WARNING: atoms too close: (T0339)Q190.CB and (T0339)L197.CB only 0.000 apart, marking (T0339)L197.CB as missing WARNING: atoms too close: (T0339)P139.CB and (T0339)L197.CB only 0.000 apart, marking (T0339)L197.CB as missing WARNING: atoms too close: (T0339)V128.CB and (T0339)L197.CB only 0.000 apart, marking (T0339)L197.CB as missing WARNING: atoms too close: (T0339)K104.CB and (T0339)L197.CB only 0.000 apart, marking (T0339)L197.CB as missing WARNING: atoms too close: (T0339)V103.CB and (T0339)L197.CB only 0.000 apart, marking (T0339)L197.CB as missing WARNING: atoms too close: (T0339)P102.CB and (T0339)L197.CB only 0.000 apart, marking (T0339)L197.CB as missing WARNING: atoms too close: (T0339)S101.CB and (T0339)L197.CB only 0.000 apart, marking (T0339)L197.CB as missing WARNING: atoms too close: (T0339)H100.CB and (T0339)L197.CB only 0.000 apart, marking (T0339)L197.CB as missing WARNING: atoms too close: (T0339)H99.CB and (T0339)L197.CB only 0.000 apart, marking (T0339)L197.CB as missing WARNING: atoms too close: (T0339)T96.CB and (T0339)L197.CB only 0.000 apart, marking (T0339)L197.CB as missing WARNING: atoms too close: (T0339)H95.CB and (T0339)L197.CB only 0.000 apart, marking (T0339)L197.CB as missing WARNING: atoms too close: (T0339)K93.CB and (T0339)L197.CB only 0.000 apart, marking (T0339)L197.CB as missing WARNING: atoms too close: (T0339)S92.CB and (T0339)L197.CB only 0.000 apart, marking (T0339)L197.CB as missing WARNING: atoms too close: (T0339)T91.CB and (T0339)L197.CB only 0.000 apart, marking (T0339)L197.CB as missing WARNING: atoms too close: (T0339)Q90.CB and (T0339)L197.CB only 0.000 apart, marking (T0339)L197.CB as missing WARNING: atoms too close: (T0339)N89.CB and (T0339)L197.CB only 0.000 apart, marking (T0339)L197.CB as missing WARNING: atoms too close: (T0339)G196.O and (T0339)L197.O only 0.000 apart, marking (T0339)L197.O as missing WARNING: atoms too close: (T0339)A195.O and (T0339)L197.O only 0.000 apart, marking (T0339)L197.O as missing WARNING: atoms too close: (T0339)A194.O and (T0339)L197.O only 0.000 apart, marking (T0339)L197.O as missing WARNING: atoms too close: (T0339)V193.O and (T0339)L197.O only 0.000 apart, marking (T0339)L197.O as missing WARNING: atoms too close: (T0339)R192.O and (T0339)L197.O only 0.000 apart, marking (T0339)L197.O as missing WARNING: atoms too close: (T0339)E191.O and (T0339)L197.O only 0.000 apart, marking (T0339)L197.O as missing WARNING: atoms too close: (T0339)Q190.O and (T0339)L197.O only 0.000 apart, marking (T0339)L197.O as missing WARNING: atoms too close: (T0339)P139.O and (T0339)L197.O only 0.000 apart, marking (T0339)L197.O as missing WARNING: atoms too close: (T0339)V128.O and (T0339)L197.O only 0.000 apart, marking (T0339)L197.O as missing WARNING: atoms too close: (T0339)G105.O and (T0339)L197.O only 0.000 apart, marking (T0339)L197.O as missing WARNING: atoms too close: (T0339)K104.O and (T0339)L197.O only 0.000 apart, marking (T0339)L197.O as missing WARNING: atoms too close: (T0339)V103.O and (T0339)L197.O only 0.000 apart, marking (T0339)L197.O as missing WARNING: atoms too close: (T0339)P102.O and (T0339)L197.O only 0.000 apart, marking (T0339)L197.O as missing WARNING: atoms too close: (T0339)S101.O and (T0339)L197.O only 0.000 apart, marking (T0339)L197.O as missing WARNING: atoms too close: (T0339)H100.O and (T0339)L197.O only 0.000 apart, marking (T0339)L197.O as missing WARNING: atoms too close: (T0339)H99.O and (T0339)L197.O only 0.000 apart, marking (T0339)L197.O as missing WARNING: atoms too close: (T0339)G98.O and (T0339)L197.O only 0.000 apart, marking (T0339)L197.O as missing WARNING: atoms too close: (T0339)G97.O and (T0339)L197.O only 0.000 apart, marking (T0339)L197.O as missing WARNING: atoms too close: (T0339)T96.O and (T0339)L197.O only 0.000 apart, marking (T0339)L197.O as missing WARNING: atoms too close: (T0339)H95.O and (T0339)L197.O only 0.000 apart, marking (T0339)L197.O as missing WARNING: atoms too close: (T0339)G94.O and (T0339)L197.O only 0.000 apart, marking (T0339)L197.O as missing WARNING: atoms too close: (T0339)K93.O and (T0339)L197.O only 0.000 apart, marking (T0339)L197.O as missing WARNING: atoms too close: (T0339)S92.O and (T0339)L197.O only 0.000 apart, marking (T0339)L197.O as missing WARNING: atoms too close: (T0339)T91.O and (T0339)L197.O only 0.000 apart, marking (T0339)L197.O as missing WARNING: atoms too close: (T0339)Q90.O and (T0339)L197.O only 0.000 apart, marking (T0339)L197.O as missing WARNING: atoms too close: (T0339)N89.O and (T0339)L197.O only 0.000 apart, marking (T0339)L197.O as missing WARNING: atoms too close: (T0339)G196.C and (T0339)L197.C only 0.000 apart, marking (T0339)L197.C as missing WARNING: atoms too close: (T0339)A195.C and (T0339)L197.C only 0.000 apart, marking (T0339)L197.C as missing WARNING: atoms too close: (T0339)A194.C and (T0339)L197.C only 0.000 apart, marking (T0339)L197.C as missing WARNING: atoms too close: (T0339)V193.C and (T0339)L197.C only 0.000 apart, marking (T0339)L197.C as missing WARNING: atoms too close: (T0339)R192.C and (T0339)L197.C only 0.000 apart, marking (T0339)L197.C as missing WARNING: atoms too close: (T0339)E191.C and (T0339)L197.C only 0.000 apart, marking (T0339)L197.C as missing WARNING: atoms too close: (T0339)Q190.C and (T0339)L197.C only 0.000 apart, marking (T0339)L197.C as missing WARNING: atoms too close: (T0339)P139.C and (T0339)L197.C only 0.000 apart, marking (T0339)L197.C as missing WARNING: atoms too close: (T0339)V128.C and (T0339)L197.C only 0.000 apart, marking (T0339)L197.C as missing WARNING: atoms too close: (T0339)G105.C and (T0339)L197.C only 0.000 apart, marking (T0339)L197.C as missing WARNING: atoms too close: (T0339)K104.C and (T0339)L197.C only 0.000 apart, marking (T0339)L197.C as missing WARNING: atoms too close: (T0339)V103.C and (T0339)L197.C only 0.000 apart, marking (T0339)L197.C as missing WARNING: atoms too close: (T0339)P102.C and (T0339)L197.C only 0.000 apart, marking (T0339)L197.C as missing WARNING: atoms too close: (T0339)S101.C and (T0339)L197.C only 0.000 apart, marking (T0339)L197.C as missing WARNING: atoms too close: (T0339)H100.C and (T0339)L197.C only 0.000 apart, marking (T0339)L197.C as missing WARNING: atoms too close: (T0339)H99.C and (T0339)L197.C only 0.000 apart, marking (T0339)L197.C as missing WARNING: atoms too close: (T0339)G98.C and (T0339)L197.C only 0.000 apart, marking (T0339)L197.C as missing WARNING: atoms too close: (T0339)G97.C and (T0339)L197.C only 0.000 apart, marking (T0339)L197.C as missing WARNING: atoms too close: (T0339)T96.C and (T0339)L197.C only 0.000 apart, marking (T0339)L197.C as missing WARNING: atoms too close: (T0339)H95.C and (T0339)L197.C only 0.000 apart, marking (T0339)L197.C as missing WARNING: atoms too close: (T0339)G94.C and (T0339)L197.C only 0.000 apart, marking (T0339)L197.C as missing WARNING: atoms too close: (T0339)K93.C and (T0339)L197.C only 0.000 apart, marking (T0339)L197.C as missing WARNING: atoms too close: (T0339)S92.C and (T0339)L197.C only 0.000 apart, marking (T0339)L197.C as missing WARNING: atoms too close: (T0339)T91.C and (T0339)L197.C only 0.000 apart, marking (T0339)L197.C as missing WARNING: atoms too close: (T0339)Q90.C and (T0339)L197.C only 0.000 apart, marking (T0339)L197.C as missing WARNING: atoms too close: (T0339)N89.C and (T0339)L197.C only 0.000 apart, marking (T0339)L197.C as missing WARNING: atoms too close: (T0339)L197.N and (T0339)P198.N only 0.000 apart, marking (T0339)L197.N as missing WARNING: atoms too close: (T0339)G196.N and (T0339)P198.N only 0.000 apart, marking (T0339)G196.N as missing WARNING: atoms too close: (T0339)A195.N and (T0339)P198.N only 0.000 apart, marking (T0339)A195.N as missing WARNING: atoms too close: (T0339)A194.N and (T0339)P198.N only 0.000 apart, marking (T0339)A194.N as missing WARNING: atoms too close: (T0339)V193.N and (T0339)P198.N only 0.000 apart, marking (T0339)V193.N as missing WARNING: atoms too close: (T0339)R192.N and (T0339)P198.N only 0.000 apart, marking (T0339)R192.N as missing WARNING: atoms too close: (T0339)E191.N and (T0339)P198.N only 0.000 apart, marking (T0339)E191.N as missing WARNING: atoms too close: (T0339)Q190.N and (T0339)P198.N only 0.000 apart, marking (T0339)Q190.N as missing WARNING: atoms too close: (T0339)P139.N and (T0339)P198.N only 0.000 apart, marking (T0339)P139.N as missing WARNING: atoms too close: (T0339)V128.N and (T0339)P198.N only 0.000 apart, marking (T0339)V128.N as missing WARNING: atoms too close: (T0339)G105.N and (T0339)P198.N only 0.000 apart, marking (T0339)G105.N as missing WARNING: atoms too close: (T0339)K104.N and (T0339)P198.N only 0.000 apart, marking (T0339)K104.N as missing WARNING: atoms too close: (T0339)V103.N and (T0339)P198.N only 0.000 apart, marking (T0339)V103.N as missing WARNING: atoms too close: (T0339)P102.N and (T0339)P198.N only 0.000 apart, marking (T0339)P102.N as missing WARNING: atoms too close: (T0339)S101.N and (T0339)P198.N only 0.000 apart, marking (T0339)S101.N as missing WARNING: atoms too close: (T0339)H100.N and (T0339)P198.N only 0.000 apart, marking (T0339)H100.N as missing WARNING: atoms too close: (T0339)H99.N and (T0339)P198.N only 0.000 apart, marking (T0339)H99.N as missing WARNING: atoms too close: (T0339)G98.N and (T0339)P198.N only 0.000 apart, marking (T0339)G98.N as missing WARNING: atoms too close: (T0339)G97.N and (T0339)P198.N only 0.000 apart, marking (T0339)G97.N as missing WARNING: atoms too close: (T0339)T96.N and (T0339)P198.N only 0.000 apart, marking (T0339)T96.N as missing WARNING: atoms too close: (T0339)H95.N and (T0339)P198.N only 0.000 apart, marking (T0339)H95.N as missing WARNING: atoms too close: (T0339)G94.N and (T0339)P198.N only 0.000 apart, marking (T0339)G94.N as missing WARNING: atoms too close: (T0339)K93.N and (T0339)P198.N only 0.000 apart, marking (T0339)K93.N as missing WARNING: atoms too close: (T0339)S92.N and (T0339)P198.N only 0.000 apart, marking (T0339)S92.N as missing WARNING: atoms too close: (T0339)T91.N and (T0339)P198.N only 0.000 apart, marking (T0339)T91.N as missing WARNING: atoms too close: (T0339)Q90.N and (T0339)P198.N only 0.000 apart, marking (T0339)Q90.N as missing WARNING: atoms too close: (T0339)N89.N and (T0339)P198.N only 0.000 apart, marking (T0339)P198.N as missing WARNING: atoms too close: (T0339)L197.CA and (T0339)P198.CA only 0.000 apart, marking (T0339)P198.CA as missing WARNING: atoms too close: (T0339)G196.CA and (T0339)P198.CA only 0.000 apart, marking (T0339)P198.CA as missing WARNING: atoms too close: (T0339)A195.CA and (T0339)P198.CA only 0.000 apart, marking (T0339)P198.CA as missing WARNING: atoms too close: (T0339)A194.CA and (T0339)P198.CA only 0.000 apart, marking (T0339)P198.CA as missing WARNING: atoms too close: (T0339)V193.CA and (T0339)P198.CA only 0.000 apart, marking (T0339)P198.CA as missing WARNING: atoms too close: (T0339)R192.CA and (T0339)P198.CA only 0.000 apart, marking (T0339)P198.CA as missing WARNING: atoms too close: (T0339)E191.CA and (T0339)P198.CA only 0.000 apart, marking (T0339)P198.CA as missing WARNING: atoms too close: (T0339)Q190.CA and (T0339)P198.CA only 0.000 apart, marking (T0339)P198.CA as missing WARNING: atoms too close: (T0339)P139.CA and (T0339)P198.CA only 0.000 apart, marking (T0339)P198.CA as missing WARNING: atoms too close: (T0339)V128.CA and (T0339)P198.CA only 0.000 apart, marking (T0339)P198.CA as missing WARNING: atoms too close: (T0339)G105.CA and (T0339)P198.CA only 0.000 apart, marking (T0339)P198.CA as missing WARNING: atoms too close: (T0339)K104.CA and (T0339)P198.CA only 0.000 apart, marking (T0339)P198.CA as missing WARNING: atoms too close: (T0339)V103.CA and (T0339)P198.CA only 0.000 apart, marking (T0339)P198.CA as missing WARNING: atoms too close: (T0339)P102.CA and (T0339)P198.CA only 0.000 apart, marking (T0339)P198.CA as missing WARNING: atoms too close: (T0339)S101.CA and (T0339)P198.CA only 0.000 apart, marking (T0339)P198.CA as missing WARNING: atoms too close: (T0339)H100.CA and (T0339)P198.CA only 0.000 apart, marking (T0339)P198.CA as missing WARNING: atoms too close: (T0339)H99.CA and (T0339)P198.CA only 0.000 apart, marking (T0339)P198.CA as missing WARNING: atoms too close: (T0339)G98.CA and (T0339)P198.CA only 0.000 apart, marking (T0339)P198.CA as missing WARNING: atoms too close: (T0339)G97.CA and (T0339)P198.CA only 0.000 apart, marking (T0339)P198.CA as missing WARNING: atoms too close: (T0339)T96.CA and (T0339)P198.CA only 0.000 apart, marking (T0339)P198.CA as missing WARNING: atoms too close: (T0339)H95.CA and (T0339)P198.CA only 0.000 apart, marking (T0339)P198.CA as missing WARNING: atoms too close: (T0339)G94.CA and (T0339)P198.CA only 0.000 apart, marking (T0339)P198.CA as missing WARNING: atoms too close: (T0339)K93.CA and (T0339)P198.CA only 0.000 apart, marking (T0339)P198.CA as missing WARNING: atoms too close: (T0339)S92.CA and (T0339)P198.CA only 0.000 apart, marking (T0339)P198.CA as missing WARNING: atoms too close: (T0339)T91.CA and (T0339)P198.CA only 0.000 apart, marking (T0339)P198.CA as missing WARNING: atoms too close: (T0339)Q90.CA and (T0339)P198.CA only 0.000 apart, marking (T0339)P198.CA as missing WARNING: atoms too close: (T0339)N89.CA and (T0339)P198.CA only 0.000 apart, marking (T0339)P198.CA as missing WARNING: atoms too close: (T0339)L197.CB and (T0339)P198.CB only 0.000 apart, marking (T0339)P198.CB as missing WARNING: atoms too close: (T0339)A195.CB and (T0339)P198.CB only 0.000 apart, marking (T0339)P198.CB as missing WARNING: atoms too close: (T0339)A194.CB and (T0339)P198.CB only 0.000 apart, marking (T0339)P198.CB as missing WARNING: atoms too close: (T0339)V193.CB and (T0339)P198.CB only 0.000 apart, marking (T0339)P198.CB as missing WARNING: atoms too close: (T0339)R192.CB and (T0339)P198.CB only 0.000 apart, marking (T0339)P198.CB as missing WARNING: atoms too close: (T0339)E191.CB and (T0339)P198.CB only 0.000 apart, marking (T0339)P198.CB as missing WARNING: atoms too close: (T0339)Q190.CB and (T0339)P198.CB only 0.000 apart, marking (T0339)P198.CB as missing WARNING: atoms too close: (T0339)P139.CB and (T0339)P198.CB only 0.000 apart, marking (T0339)P198.CB as missing WARNING: atoms too close: (T0339)V128.CB and (T0339)P198.CB only 0.000 apart, marking (T0339)P198.CB as missing WARNING: atoms too close: (T0339)K104.CB and (T0339)P198.CB only 0.000 apart, marking (T0339)P198.CB as missing WARNING: atoms too close: (T0339)V103.CB and (T0339)P198.CB only 0.000 apart, marking (T0339)P198.CB as missing WARNING: atoms too close: (T0339)P102.CB and (T0339)P198.CB only 0.000 apart, marking (T0339)P198.CB as missing WARNING: atoms too close: (T0339)S101.CB and (T0339)P198.CB only 0.000 apart, marking (T0339)P198.CB as missing WARNING: atoms too close: (T0339)H100.CB and (T0339)P198.CB only 0.000 apart, marking (T0339)P198.CB as missing WARNING: atoms too close: (T0339)H99.CB and (T0339)P198.CB only 0.000 apart, marking (T0339)P198.CB as missing WARNING: atoms too close: (T0339)T96.CB and (T0339)P198.CB only 0.000 apart, marking (T0339)P198.CB as missing WARNING: atoms too close: (T0339)H95.CB and (T0339)P198.CB only 0.000 apart, marking (T0339)P198.CB as missing WARNING: atoms too close: (T0339)K93.CB and (T0339)P198.CB only 0.000 apart, marking (T0339)P198.CB as missing WARNING: atoms too close: (T0339)S92.CB and (T0339)P198.CB only 0.000 apart, marking (T0339)P198.CB as missing WARNING: atoms too close: (T0339)T91.CB and (T0339)P198.CB only 0.000 apart, marking (T0339)P198.CB as missing WARNING: atoms too close: (T0339)Q90.CB and (T0339)P198.CB only 0.000 apart, marking (T0339)P198.CB as missing WARNING: atoms too close: (T0339)N89.CB and (T0339)P198.CB only 0.000 apart, marking (T0339)P198.CB as missing WARNING: atoms too close: (T0339)L197.O and (T0339)P198.O only 0.000 apart, marking (T0339)P198.O as missing WARNING: atoms too close: (T0339)G196.O and (T0339)P198.O only 0.000 apart, marking (T0339)P198.O as missing WARNING: atoms too close: (T0339)A195.O and (T0339)P198.O only 0.000 apart, marking (T0339)P198.O as missing WARNING: atoms too close: (T0339)A194.O and (T0339)P198.O only 0.000 apart, marking (T0339)P198.O as missing WARNING: atoms too close: (T0339)V193.O and (T0339)P198.O only 0.000 apart, marking (T0339)P198.O as missing WARNING: atoms too close: (T0339)R192.O and (T0339)P198.O only 0.000 apart, marking (T0339)P198.O as missing WARNING: atoms too close: (T0339)E191.O and (T0339)P198.O only 0.000 apart, marking (T0339)P198.O as missing WARNING: atoms too close: (T0339)Q190.O and (T0339)P198.O only 0.000 apart, marking (T0339)P198.O as missing WARNING: atoms too close: (T0339)P139.O and (T0339)P198.O only 0.000 apart, marking (T0339)P198.O as missing WARNING: atoms too close: (T0339)V128.O and (T0339)P198.O only 0.000 apart, marking (T0339)P198.O as missing WARNING: atoms too close: (T0339)G105.O and (T0339)P198.O only 0.000 apart, marking (T0339)P198.O as missing WARNING: atoms too close: (T0339)K104.O and (T0339)P198.O only 0.000 apart, marking (T0339)P198.O as missing WARNING: atoms too close: (T0339)V103.O and (T0339)P198.O only 0.000 apart, marking (T0339)P198.O as missing WARNING: atoms too close: (T0339)P102.O and (T0339)P198.O only 0.000 apart, marking (T0339)P198.O as missing WARNING: atoms too close: (T0339)S101.O and (T0339)P198.O only 0.000 apart, marking (T0339)P198.O as missing WARNING: atoms too close: (T0339)H100.O and (T0339)P198.O only 0.000 apart, marking (T0339)P198.O as missing WARNING: atoms too close: (T0339)H99.O and (T0339)P198.O only 0.000 apart, marking (T0339)P198.O as missing WARNING: atoms too close: (T0339)G98.O and (T0339)P198.O only 0.000 apart, marking (T0339)P198.O as missing WARNING: atoms too close: (T0339)G97.O and (T0339)P198.O only 0.000 apart, marking (T0339)P198.O as missing WARNING: atoms too close: (T0339)T96.O and (T0339)P198.O only 0.000 apart, marking (T0339)P198.O as missing WARNING: atoms too close: (T0339)H95.O and (T0339)P198.O only 0.000 apart, marking (T0339)P198.O as missing WARNING: atoms too close: (T0339)G94.O and (T0339)P198.O only 0.000 apart, marking (T0339)P198.O as missing WARNING: atoms too close: (T0339)K93.O and (T0339)P198.O only 0.000 apart, marking (T0339)P198.O as missing WARNING: atoms too close: (T0339)S92.O and (T0339)P198.O only 0.000 apart, marking (T0339)P198.O as missing WARNING: atoms too close: (T0339)T91.O and (T0339)P198.O only 0.000 apart, marking (T0339)P198.O as missing WARNING: atoms too close: (T0339)Q90.O and (T0339)P198.O only 0.000 apart, marking (T0339)P198.O as missing WARNING: atoms too close: (T0339)N89.O and (T0339)P198.O only 0.000 apart, marking (T0339)P198.O as missing WARNING: atoms too close: (T0339)L197.C and (T0339)P198.C only 0.000 apart, marking (T0339)P198.C as missing WARNING: atoms too close: (T0339)G196.C and (T0339)P198.C only 0.000 apart, marking (T0339)P198.C as missing WARNING: atoms too close: (T0339)A195.C and (T0339)P198.C only 0.000 apart, marking (T0339)P198.C as missing WARNING: atoms too close: (T0339)A194.C and (T0339)P198.C only 0.000 apart, marking (T0339)P198.C as missing WARNING: atoms too close: (T0339)V193.C and (T0339)P198.C only 0.000 apart, marking (T0339)P198.C as missing WARNING: atoms too close: (T0339)R192.C and (T0339)P198.C only 0.000 apart, marking (T0339)P198.C as missing WARNING: atoms too close: (T0339)E191.C and (T0339)P198.C only 0.000 apart, marking (T0339)P198.C as missing WARNING: atoms too close: (T0339)Q190.C and (T0339)P198.C only 0.000 apart, marking (T0339)P198.C as missing WARNING: atoms too close: (T0339)P139.C and (T0339)P198.C only 0.000 apart, marking (T0339)P198.C as missing WARNING: atoms too close: (T0339)V128.C and (T0339)P198.C only 0.000 apart, marking (T0339)P198.C as missing WARNING: atoms too close: (T0339)G105.C and (T0339)P198.C only 0.000 apart, marking (T0339)P198.C as missing WARNING: atoms too close: (T0339)K104.C and (T0339)P198.C only 0.000 apart, marking (T0339)P198.C as missing WARNING: atoms too close: (T0339)V103.C and (T0339)P198.C only 0.000 apart, marking (T0339)P198.C as missing WARNING: atoms too close: (T0339)P102.C and (T0339)P198.C only 0.000 apart, marking (T0339)P198.C as missing WARNING: atoms too close: (T0339)S101.C and (T0339)P198.C only 0.000 apart, marking (T0339)P198.C as missing WARNING: atoms too close: (T0339)H100.C and (T0339)P198.C only 0.000 apart, marking (T0339)P198.C as missing WARNING: atoms too close: (T0339)H99.C and (T0339)P198.C only 0.000 apart, marking (T0339)P198.C as missing WARNING: atoms too close: (T0339)G98.C and (T0339)P198.C only 0.000 apart, marking (T0339)P198.C as missing WARNING: atoms too close: (T0339)G97.C and (T0339)P198.C only 0.000 apart, marking (T0339)P198.C as missing WARNING: atoms too close: (T0339)T96.C and (T0339)P198.C only 0.000 apart, marking (T0339)P198.C as missing WARNING: atoms too close: (T0339)H95.C and (T0339)P198.C only 0.000 apart, marking (T0339)P198.C as missing WARNING: atoms too close: (T0339)G94.C and (T0339)P198.C only 0.000 apart, marking (T0339)P198.C as missing WARNING: atoms too close: (T0339)K93.C and (T0339)P198.C only 0.000 apart, marking (T0339)P198.C as missing WARNING: atoms too close: (T0339)S92.C and (T0339)P198.C only 0.000 apart, marking (T0339)P198.C as missing WARNING: atoms too close: (T0339)T91.C and (T0339)P198.C only 0.000 apart, marking (T0339)P198.C as missing WARNING: atoms too close: (T0339)Q90.C and (T0339)P198.C only 0.000 apart, marking (T0339)P198.C as missing WARNING: atoms too close: (T0339)N89.C and (T0339)P198.C only 0.000 apart, marking (T0339)P198.C as missing WARNING: atoms too close: (T0339)P198.N and (T0339)P199.N only 0.000 apart, marking (T0339)P198.N as missing WARNING: atoms too close: (T0339)L197.N and (T0339)P199.N only 0.000 apart, marking (T0339)L197.N as missing WARNING: atoms too close: (T0339)G196.N and (T0339)P199.N only 0.000 apart, marking (T0339)G196.N as missing WARNING: atoms too close: (T0339)A195.N and (T0339)P199.N only 0.000 apart, marking (T0339)A195.N as missing WARNING: atoms too close: (T0339)A194.N and (T0339)P199.N only 0.000 apart, marking (T0339)A194.N as missing WARNING: atoms too close: (T0339)V193.N and (T0339)P199.N only 0.000 apart, marking (T0339)V193.N as missing WARNING: atoms too close: (T0339)R192.N and (T0339)P199.N only 0.000 apart, marking (T0339)R192.N as missing WARNING: atoms too close: (T0339)E191.N and (T0339)P199.N only 0.000 apart, marking (T0339)E191.N as missing WARNING: atoms too close: (T0339)Q190.N and (T0339)P199.N only 0.000 apart, marking (T0339)Q190.N as missing WARNING: atoms too close: (T0339)P139.N and (T0339)P199.N only 0.000 apart, marking (T0339)P139.N as missing WARNING: atoms too close: (T0339)V128.N and (T0339)P199.N only 0.000 apart, marking (T0339)V128.N as missing WARNING: atoms too close: (T0339)G105.N and (T0339)P199.N only 0.000 apart, marking (T0339)G105.N as missing WARNING: atoms too close: (T0339)K104.N and (T0339)P199.N only 0.000 apart, marking (T0339)K104.N as missing WARNING: atoms too close: (T0339)V103.N and (T0339)P199.N only 0.000 apart, marking (T0339)V103.N as missing WARNING: atoms too close: (T0339)P102.N and (T0339)P199.N only 0.000 apart, marking (T0339)P102.N as missing WARNING: atoms too close: (T0339)S101.N and (T0339)P199.N only 0.000 apart, marking (T0339)S101.N as missing WARNING: atoms too close: (T0339)H100.N and (T0339)P199.N only 0.000 apart, marking (T0339)H100.N as missing WARNING: atoms too close: (T0339)H99.N and (T0339)P199.N only 0.000 apart, marking (T0339)H99.N as missing WARNING: atoms too close: (T0339)G98.N and (T0339)P199.N only 0.000 apart, marking (T0339)G98.N as missing WARNING: atoms too close: (T0339)G97.N and (T0339)P199.N only 0.000 apart, marking (T0339)G97.N as missing WARNING: atoms too close: (T0339)T96.N and (T0339)P199.N only 0.000 apart, marking (T0339)T96.N as missing WARNING: atoms too close: (T0339)H95.N and (T0339)P199.N only 0.000 apart, marking (T0339)H95.N as missing WARNING: atoms too close: (T0339)G94.N and (T0339)P199.N only 0.000 apart, marking (T0339)G94.N as missing WARNING: atoms too close: (T0339)K93.N and (T0339)P199.N only 0.000 apart, marking (T0339)K93.N as missing WARNING: atoms too close: (T0339)S92.N and (T0339)P199.N only 0.000 apart, marking (T0339)S92.N as missing WARNING: atoms too close: (T0339)T91.N and (T0339)P199.N only 0.000 apart, marking (T0339)T91.N as missing WARNING: atoms too close: (T0339)Q90.N and (T0339)P199.N only 0.000 apart, marking (T0339)Q90.N as missing WARNING: atoms too close: (T0339)N89.N and (T0339)P199.N only 0.000 apart, marking (T0339)P199.N as missing WARNING: atoms too close: (T0339)P198.CA and (T0339)P199.CA only 0.000 apart, marking (T0339)P199.CA as missing WARNING: atoms too close: (T0339)L197.CA and (T0339)P199.CA only 0.000 apart, marking (T0339)P199.CA as missing WARNING: atoms too close: (T0339)G196.CA and (T0339)P199.CA only 0.000 apart, marking (T0339)P199.CA as missing WARNING: atoms too close: (T0339)A195.CA and (T0339)P199.CA only 0.000 apart, marking (T0339)P199.CA as missing WARNING: atoms too close: (T0339)A194.CA and (T0339)P199.CA only 0.000 apart, marking (T0339)P199.CA as missing WARNING: atoms too close: (T0339)V193.CA and (T0339)P199.CA only 0.000 apart, marking (T0339)P199.CA as missing WARNING: atoms too close: (T0339)R192.CA and (T0339)P199.CA only 0.000 apart, marking (T0339)P199.CA as missing WARNING: atoms too close: (T0339)E191.CA and (T0339)P199.CA only 0.000 apart, marking (T0339)P199.CA as missing WARNING: atoms too close: (T0339)Q190.CA and (T0339)P199.CA only 0.000 apart, marking (T0339)P199.CA as missing WARNING: atoms too close: (T0339)P139.CA and (T0339)P199.CA only 0.000 apart, marking (T0339)P199.CA as missing WARNING: atoms too close: (T0339)V128.CA and (T0339)P199.CA only 0.000 apart, marking (T0339)P199.CA as missing WARNING: atoms too close: (T0339)G105.CA and (T0339)P199.CA only 0.000 apart, marking (T0339)P199.CA as missing WARNING: atoms too close: (T0339)K104.CA and (T0339)P199.CA only 0.000 apart, marking (T0339)P199.CA as missing WARNING: atoms too close: (T0339)V103.CA and (T0339)P199.CA only 0.000 apart, marking (T0339)P199.CA as missing WARNING: atoms too close: (T0339)P102.CA and (T0339)P199.CA only 0.000 apart, marking (T0339)P199.CA as missing WARNING: atoms too close: (T0339)S101.CA and (T0339)P199.CA only 0.000 apart, marking (T0339)P199.CA as missing WARNING: atoms too close: (T0339)H100.CA and (T0339)P199.CA only 0.000 apart, marking (T0339)P199.CA as missing WARNING: atoms too close: (T0339)H99.CA and (T0339)P199.CA only 0.000 apart, marking (T0339)P199.CA as missing WARNING: atoms too close: (T0339)G98.CA and (T0339)P199.CA only 0.000 apart, marking (T0339)P199.CA as missing WARNING: atoms too close: (T0339)G97.CA and (T0339)P199.CA only 0.000 apart, marking (T0339)P199.CA as missing WARNING: atoms too close: (T0339)T96.CA and (T0339)P199.CA only 0.000 apart, marking (T0339)P199.CA as missing WARNING: atoms too close: (T0339)H95.CA and (T0339)P199.CA only 0.000 apart, marking (T0339)P199.CA as missing WARNING: atoms too close: (T0339)G94.CA and (T0339)P199.CA only 0.000 apart, marking (T0339)P199.CA as missing WARNING: atoms too close: (T0339)K93.CA and (T0339)P199.CA only 0.000 apart, marking (T0339)P199.CA as missing WARNING: atoms too close: (T0339)S92.CA and (T0339)P199.CA only 0.000 apart, marking (T0339)P199.CA as missing WARNING: atoms too close: (T0339)T91.CA and (T0339)P199.CA only 0.000 apart, marking (T0339)P199.CA as missing WARNING: atoms too close: (T0339)Q90.CA and (T0339)P199.CA only 0.000 apart, marking (T0339)P199.CA as missing WARNING: atoms too close: (T0339)N89.CA and (T0339)P199.CA only 0.000 apart, marking (T0339)P199.CA as missing WARNING: atoms too close: (T0339)P198.CB and (T0339)P199.CB only 0.000 apart, marking (T0339)P199.CB as missing WARNING: atoms too close: (T0339)L197.CB and (T0339)P199.CB only 0.000 apart, marking (T0339)P199.CB as missing WARNING: atoms too close: (T0339)A195.CB and (T0339)P199.CB only 0.000 apart, marking (T0339)P199.CB as missing WARNING: atoms too close: (T0339)A194.CB and (T0339)P199.CB only 0.000 apart, marking (T0339)P199.CB as missing WARNING: atoms too close: (T0339)V193.CB and (T0339)P199.CB only 0.000 apart, marking (T0339)P199.CB as missing WARNING: atoms too close: (T0339)R192.CB and (T0339)P199.CB only 0.000 apart, marking (T0339)P199.CB as missing WARNING: atoms too close: (T0339)E191.CB and (T0339)P199.CB only 0.000 apart, marking (T0339)P199.CB as missing WARNING: atoms too close: (T0339)Q190.CB and (T0339)P199.CB only 0.000 apart, marking (T0339)P199.CB as missing WARNING: atoms too close: (T0339)P139.CB and (T0339)P199.CB only 0.000 apart, marking (T0339)P199.CB as missing WARNING: atoms too close: (T0339)V128.CB and (T0339)P199.CB only 0.000 apart, marking (T0339)P199.CB as missing WARNING: atoms too close: (T0339)K104.CB and (T0339)P199.CB only 0.000 apart, marking (T0339)P199.CB as missing WARNING: atoms too close: (T0339)V103.CB and (T0339)P199.CB only 0.000 apart, marking (T0339)P199.CB as missing WARNING: atoms too close: (T0339)P102.CB and (T0339)P199.CB only 0.000 apart, marking (T0339)P199.CB as missing WARNING: atoms too close: (T0339)S101.CB and (T0339)P199.CB only 0.000 apart, marking (T0339)P199.CB as missing WARNING: atoms too close: (T0339)H100.CB and (T0339)P199.CB only 0.000 apart, marking (T0339)P199.CB as missing WARNING: atoms too close: (T0339)H99.CB and (T0339)P199.CB only 0.000 apart, marking (T0339)P199.CB as missing WARNING: atoms too close: (T0339)T96.CB and (T0339)P199.CB only 0.000 apart, marking (T0339)P199.CB as missing WARNING: atoms too close: (T0339)H95.CB and (T0339)P199.CB only 0.000 apart, marking (T0339)P199.CB as missing WARNING: atoms too close: (T0339)K93.CB and (T0339)P199.CB only 0.000 apart, marking (T0339)P199.CB as missing WARNING: atoms too close: (T0339)S92.CB and (T0339)P199.CB only 0.000 apart, marking (T0339)P199.CB as missing WARNING: atoms too close: (T0339)T91.CB and (T0339)P199.CB only 0.000 apart, marking (T0339)P199.CB as missing WARNING: atoms too close: (T0339)Q90.CB and (T0339)P199.CB only 0.000 apart, marking (T0339)P199.CB as missing WARNING: atoms too close: (T0339)N89.CB and (T0339)P199.CB only 0.000 apart, marking (T0339)P199.CB as missing WARNING: atoms too close: (T0339)P198.O and (T0339)P199.O only 0.000 apart, marking (T0339)P199.O as missing WARNING: atoms too close: (T0339)L197.O and (T0339)P199.O only 0.000 apart, marking (T0339)P199.O as missing WARNING: atoms too close: (T0339)G196.O and (T0339)P199.O only 0.000 apart, marking (T0339)P199.O as missing WARNING: atoms too close: (T0339)A195.O and (T0339)P199.O only 0.000 apart, marking (T0339)P199.O as missing WARNING: atoms too close: (T0339)A194.O and (T0339)P199.O only 0.000 apart, marking (T0339)P199.O as missing WARNING: atoms too close: (T0339)V193.O and (T0339)P199.O only 0.000 apart, marking (T0339)P199.O as missing WARNING: atoms too close: (T0339)R192.O and (T0339)P199.O only 0.000 apart, marking (T0339)P199.O as missing WARNING: atoms too close: (T0339)E191.O and (T0339)P199.O only 0.000 apart, marking (T0339)P199.O as missing WARNING: atoms too close: (T0339)Q190.O and (T0339)P199.O only 0.000 apart, marking (T0339)P199.O as missing WARNING: atoms too close: (T0339)P139.O and (T0339)P199.O only 0.000 apart, marking (T0339)P199.O as missing WARNING: atoms too close: (T0339)V128.O and (T0339)P199.O only 0.000 apart, marking (T0339)P199.O as missing WARNING: atoms too close: (T0339)G105.O and (T0339)P199.O only 0.000 apart, marking (T0339)P199.O as missing WARNING: atoms too close: (T0339)K104.O and (T0339)P199.O only 0.000 apart, marking (T0339)P199.O as missing WARNING: atoms too close: (T0339)V103.O and (T0339)P199.O only 0.000 apart, marking (T0339)P199.O as missing WARNING: atoms too close: (T0339)P102.O and (T0339)P199.O only 0.000 apart, marking (T0339)P199.O as missing WARNING: atoms too close: (T0339)S101.O and (T0339)P199.O only 0.000 apart, marking (T0339)P199.O as missing WARNING: atoms too close: (T0339)H100.O and (T0339)P199.O only 0.000 apart, marking (T0339)P199.O as missing WARNING: atoms too close: (T0339)H99.O and (T0339)P199.O only 0.000 apart, marking (T0339)P199.O as missing WARNING: atoms too close: (T0339)G98.O and (T0339)P199.O only 0.000 apart, marking (T0339)P199.O as missing WARNING: atoms too close: (T0339)G97.O and (T0339)P199.O only 0.000 apart, marking (T0339)P199.O as missing WARNING: atoms too close: (T0339)T96.O and (T0339)P199.O only 0.000 apart, marking (T0339)P199.O as missing WARNING: atoms too close: (T0339)H95.O and (T0339)P199.O only 0.000 apart, marking (T0339)P199.O as missing WARNING: atoms too close: (T0339)G94.O and (T0339)P199.O only 0.000 apart, marking (T0339)P199.O as missing WARNING: atoms too close: (T0339)K93.O and (T0339)P199.O only 0.000 apart, marking (T0339)P199.O as missing WARNING: atoms too close: (T0339)S92.O and (T0339)P199.O only 0.000 apart, marking (T0339)P199.O as missing WARNING: atoms too close: (T0339)T91.O and (T0339)P199.O only 0.000 apart, marking (T0339)P199.O as missing WARNING: atoms too close: (T0339)Q90.O and (T0339)P199.O only 0.000 apart, marking (T0339)P199.O as missing WARNING: atoms too close: (T0339)N89.O and (T0339)P199.O only 0.000 apart, marking (T0339)P199.O as missing WARNING: atoms too close: (T0339)P198.C and (T0339)P199.C only 0.000 apart, marking (T0339)P199.C as missing WARNING: atoms too close: (T0339)L197.C and (T0339)P199.C only 0.000 apart, marking (T0339)P199.C as missing WARNING: atoms too close: (T0339)G196.C and (T0339)P199.C only 0.000 apart, marking (T0339)P199.C as missing WARNING: atoms too close: (T0339)A195.C and (T0339)P199.C only 0.000 apart, marking (T0339)P199.C as missing WARNING: atoms too close: (T0339)A194.C and (T0339)P199.C only 0.000 apart, marking (T0339)P199.C as missing WARNING: atoms too close: (T0339)V193.C and (T0339)P199.C only 0.000 apart, marking (T0339)P199.C as missing WARNING: atoms too close: (T0339)R192.C and (T0339)P199.C only 0.000 apart, marking (T0339)P199.C as missing WARNING: atoms too close: (T0339)E191.C and (T0339)P199.C only 0.000 apart, marking (T0339)P199.C as missing WARNING: atoms too close: (T0339)Q190.C and (T0339)P199.C only 0.000 apart, marking (T0339)P199.C as missing WARNING: atoms too close: (T0339)P139.C and (T0339)P199.C only 0.000 apart, marking (T0339)P199.C as missing WARNING: atoms too close: (T0339)V128.C and (T0339)P199.C only 0.000 apart, marking (T0339)P199.C as missing WARNING: atoms too close: (T0339)G105.C and (T0339)P199.C only 0.000 apart, marking (T0339)P199.C as missing WARNING: atoms too close: (T0339)K104.C and (T0339)P199.C only 0.000 apart, marking (T0339)P199.C as missing WARNING: atoms too close: (T0339)V103.C and (T0339)P199.C only 0.000 apart, marking (T0339)P199.C as missing WARNING: atoms too close: (T0339)P102.C and (T0339)P199.C only 0.000 apart, marking (T0339)P199.C as missing WARNING: atoms too close: (T0339)S101.C and (T0339)P199.C only 0.000 apart, marking (T0339)P199.C as missing WARNING: atoms too close: (T0339)H100.C and (T0339)P199.C only 0.000 apart, marking (T0339)P199.C as missing WARNING: atoms too close: (T0339)H99.C and (T0339)P199.C only 0.000 apart, marking (T0339)P199.C as missing WARNING: atoms too close: (T0339)G98.C and (T0339)P199.C only 0.000 apart, marking (T0339)P199.C as missing WARNING: atoms too close: (T0339)G97.C and (T0339)P199.C only 0.000 apart, marking (T0339)P199.C as missing WARNING: atoms too close: (T0339)T96.C and (T0339)P199.C only 0.000 apart, marking (T0339)P199.C as missing WARNING: atoms too close: (T0339)H95.C and (T0339)P199.C only 0.000 apart, marking (T0339)P199.C as missing WARNING: atoms too close: (T0339)G94.C and (T0339)P199.C only 0.000 apart, marking (T0339)P199.C as missing WARNING: atoms too close: (T0339)K93.C and (T0339)P199.C only 0.000 apart, marking (T0339)P199.C as missing WARNING: atoms too close: (T0339)S92.C and (T0339)P199.C only 0.000 apart, marking (T0339)P199.C as missing WARNING: atoms too close: (T0339)T91.C and (T0339)P199.C only 0.000 apart, marking (T0339)P199.C as missing WARNING: atoms too close: (T0339)Q90.C and (T0339)P199.C only 0.000 apart, marking (T0339)P199.C as missing WARNING: atoms too close: (T0339)N89.C and (T0339)P199.C only 0.000 apart, marking (T0339)P199.C as missing WARNING: atoms too close: (T0339)P199.N and (T0339)P250.N only 0.000 apart, marking (T0339)P199.N as missing WARNING: atoms too close: (T0339)P198.N and (T0339)P250.N only 0.000 apart, marking (T0339)P198.N as missing WARNING: atoms too close: (T0339)L197.N and (T0339)P250.N only 0.000 apart, marking (T0339)L197.N as missing WARNING: atoms too close: (T0339)G196.N and (T0339)P250.N only 0.000 apart, marking (T0339)G196.N as missing WARNING: atoms too close: (T0339)A195.N and (T0339)P250.N only 0.000 apart, marking (T0339)A195.N as missing WARNING: atoms too close: (T0339)A194.N and (T0339)P250.N only 0.000 apart, marking (T0339)A194.N as missing WARNING: atoms too close: (T0339)V193.N and (T0339)P250.N only 0.000 apart, marking (T0339)V193.N as missing WARNING: atoms too close: (T0339)R192.N and (T0339)P250.N only 0.000 apart, marking (T0339)R192.N as missing WARNING: atoms too close: (T0339)E191.N and (T0339)P250.N only 0.000 apart, marking (T0339)E191.N as missing WARNING: atoms too close: (T0339)Q190.N and (T0339)P250.N only 0.000 apart, marking (T0339)Q190.N as missing WARNING: atoms too close: (T0339)P139.N and (T0339)P250.N only 0.000 apart, marking (T0339)P139.N as missing WARNING: atoms too close: (T0339)V128.N and (T0339)P250.N only 0.000 apart, marking (T0339)V128.N as missing WARNING: atoms too close: (T0339)G105.N and (T0339)P250.N only 0.000 apart, marking (T0339)G105.N as missing WARNING: atoms too close: (T0339)K104.N and (T0339)P250.N only 0.000 apart, marking (T0339)K104.N as missing WARNING: atoms too close: (T0339)V103.N and (T0339)P250.N only 0.000 apart, marking (T0339)V103.N as missing WARNING: atoms too close: (T0339)P102.N and (T0339)P250.N only 0.000 apart, marking (T0339)P102.N as missing WARNING: atoms too close: (T0339)S101.N and (T0339)P250.N only 0.000 apart, marking (T0339)S101.N as missing WARNING: atoms too close: (T0339)H100.N and (T0339)P250.N only 0.000 apart, marking (T0339)H100.N as missing WARNING: atoms too close: (T0339)H99.N and (T0339)P250.N only 0.000 apart, marking (T0339)H99.N as missing WARNING: atoms too close: (T0339)G98.N and (T0339)P250.N only 0.000 apart, marking (T0339)G98.N as missing WARNING: atoms too close: (T0339)G97.N and (T0339)P250.N only 0.000 apart, marking (T0339)G97.N as missing WARNING: atoms too close: (T0339)T96.N and (T0339)P250.N only 0.000 apart, marking (T0339)T96.N as missing WARNING: atoms too close: (T0339)H95.N and (T0339)P250.N only 0.000 apart, marking (T0339)H95.N as missing WARNING: atoms too close: (T0339)G94.N and (T0339)P250.N only 0.000 apart, marking (T0339)G94.N as missing WARNING: atoms too close: (T0339)K93.N and (T0339)P250.N only 0.000 apart, marking (T0339)K93.N as missing WARNING: atoms too close: (T0339)S92.N and (T0339)P250.N only 0.000 apart, marking (T0339)S92.N as missing WARNING: atoms too close: (T0339)T91.N and (T0339)P250.N only 0.000 apart, marking (T0339)T91.N as missing WARNING: atoms too close: (T0339)Q90.N and (T0339)P250.N only 0.000 apart, marking (T0339)Q90.N as missing WARNING: atoms too close: (T0339)N89.N and (T0339)P250.N only 0.000 apart, marking (T0339)P250.N as missing WARNING: atoms too close: (T0339)P199.CA and (T0339)P250.CA only 0.000 apart, marking (T0339)P250.CA as missing WARNING: atoms too close: (T0339)P198.CA and (T0339)P250.CA only 0.000 apart, marking (T0339)P250.CA as missing WARNING: atoms too close: (T0339)L197.CA and (T0339)P250.CA only 0.000 apart, marking (T0339)P250.CA as missing WARNING: atoms too close: (T0339)G196.CA and (T0339)P250.CA only 0.000 apart, marking (T0339)P250.CA as missing WARNING: atoms too close: (T0339)A195.CA and (T0339)P250.CA only 0.000 apart, marking (T0339)P250.CA as missing WARNING: atoms too close: (T0339)A194.CA and (T0339)P250.CA only 0.000 apart, marking (T0339)P250.CA as missing WARNING: atoms too close: (T0339)V193.CA and (T0339)P250.CA only 0.000 apart, marking (T0339)P250.CA as missing WARNING: atoms too close: (T0339)R192.CA and (T0339)P250.CA only 0.000 apart, marking (T0339)P250.CA as missing WARNING: atoms too close: (T0339)E191.CA and (T0339)P250.CA only 0.000 apart, marking (T0339)P250.CA as missing WARNING: atoms too close: (T0339)Q190.CA and (T0339)P250.CA only 0.000 apart, marking (T0339)P250.CA as missing WARNING: atoms too close: (T0339)P139.CA and (T0339)P250.CA only 0.000 apart, marking (T0339)P250.CA as missing WARNING: atoms too close: (T0339)V128.CA and (T0339)P250.CA only 0.000 apart, marking (T0339)P250.CA as missing WARNING: atoms too close: (T0339)G105.CA and (T0339)P250.CA only 0.000 apart, marking (T0339)P250.CA as missing WARNING: atoms too close: (T0339)K104.CA and (T0339)P250.CA only 0.000 apart, marking (T0339)P250.CA as missing WARNING: atoms too close: (T0339)V103.CA and (T0339)P250.CA only 0.000 apart, marking (T0339)P250.CA as missing WARNING: atoms too close: (T0339)P102.CA and (T0339)P250.CA only 0.000 apart, marking (T0339)P250.CA as missing WARNING: atoms too close: (T0339)S101.CA and (T0339)P250.CA only 0.000 apart, marking (T0339)P250.CA as missing WARNING: atoms too close: (T0339)H100.CA and (T0339)P250.CA only 0.000 apart, marking (T0339)P250.CA as missing WARNING: atoms too close: (T0339)H99.CA and (T0339)P250.CA only 0.000 apart, marking (T0339)P250.CA as missing WARNING: atoms too close: (T0339)G98.CA and (T0339)P250.CA only 0.000 apart, marking (T0339)P250.CA as missing WARNING: atoms too close: (T0339)G97.CA and (T0339)P250.CA only 0.000 apart, marking (T0339)P250.CA as missing WARNING: atoms too close: (T0339)T96.CA and (T0339)P250.CA only 0.000 apart, marking (T0339)P250.CA as missing WARNING: atoms too close: (T0339)H95.CA and (T0339)P250.CA only 0.000 apart, marking (T0339)P250.CA as missing WARNING: atoms too close: (T0339)G94.CA and (T0339)P250.CA only 0.000 apart, marking (T0339)P250.CA as missing WARNING: atoms too close: (T0339)K93.CA and (T0339)P250.CA only 0.000 apart, marking (T0339)P250.CA as missing WARNING: atoms too close: (T0339)S92.CA and (T0339)P250.CA only 0.000 apart, marking (T0339)P250.CA as missing WARNING: atoms too close: (T0339)T91.CA and (T0339)P250.CA only 0.000 apart, marking (T0339)P250.CA as missing WARNING: atoms too close: (T0339)Q90.CA and (T0339)P250.CA only 0.000 apart, marking (T0339)P250.CA as missing WARNING: atoms too close: (T0339)N89.CA and (T0339)P250.CA only 0.000 apart, marking (T0339)P250.CA as missing WARNING: atoms too close: (T0339)P199.CB and (T0339)P250.CB only 0.000 apart, marking (T0339)P250.CB as missing WARNING: atoms too close: (T0339)P198.CB and (T0339)P250.CB only 0.000 apart, marking (T0339)P250.CB as missing WARNING: atoms too close: (T0339)L197.CB and (T0339)P250.CB only 0.000 apart, marking (T0339)P250.CB as missing WARNING: atoms too close: (T0339)A195.CB and (T0339)P250.CB only 0.000 apart, marking (T0339)P250.CB as missing WARNING: atoms too close: (T0339)A194.CB and (T0339)P250.CB only 0.000 apart, marking (T0339)P250.CB as missing WARNING: atoms too close: (T0339)V193.CB and (T0339)P250.CB only 0.000 apart, marking (T0339)P250.CB as missing WARNING: atoms too close: (T0339)R192.CB and (T0339)P250.CB only 0.000 apart, marking (T0339)P250.CB as missing WARNING: atoms too close: (T0339)E191.CB and (T0339)P250.CB only 0.000 apart, marking (T0339)P250.CB as missing WARNING: atoms too close: (T0339)Q190.CB and (T0339)P250.CB only 0.000 apart, marking (T0339)P250.CB as missing WARNING: atoms too close: (T0339)P139.CB and (T0339)P250.CB only 0.000 apart, marking (T0339)P250.CB as missing WARNING: atoms too close: (T0339)V128.CB and (T0339)P250.CB only 0.000 apart, marking (T0339)P250.CB as missing WARNING: atoms too close: (T0339)K104.CB and (T0339)P250.CB only 0.000 apart, marking (T0339)P250.CB as missing WARNING: atoms too close: (T0339)V103.CB and (T0339)P250.CB only 0.000 apart, marking (T0339)P250.CB as missing WARNING: atoms too close: (T0339)P102.CB and (T0339)P250.CB only 0.000 apart, marking (T0339)P250.CB as missing WARNING: atoms too close: (T0339)S101.CB and (T0339)P250.CB only 0.000 apart, marking (T0339)P250.CB as missing WARNING: atoms too close: (T0339)H100.CB and (T0339)P250.CB only 0.000 apart, marking (T0339)P250.CB as missing WARNING: atoms too close: (T0339)H99.CB and (T0339)P250.CB only 0.000 apart, marking (T0339)P250.CB as missing WARNING: atoms too close: (T0339)T96.CB and (T0339)P250.CB only 0.000 apart, marking (T0339)P250.CB as missing WARNING: atoms too close: (T0339)H95.CB and (T0339)P250.CB only 0.000 apart, marking (T0339)P250.CB as missing WARNING: atoms too close: (T0339)K93.CB and (T0339)P250.CB only 0.000 apart, marking (T0339)P250.CB as missing WARNING: atoms too close: (T0339)S92.CB and (T0339)P250.CB only 0.000 apart, marking (T0339)P250.CB as missing WARNING: atoms too close: (T0339)T91.CB and (T0339)P250.CB only 0.000 apart, marking (T0339)P250.CB as missing WARNING: atoms too close: (T0339)Q90.CB and (T0339)P250.CB only 0.000 apart, marking (T0339)P250.CB as missing WARNING: atoms too close: (T0339)N89.CB and (T0339)P250.CB only 0.000 apart, marking (T0339)P250.CB as missing WARNING: atoms too close: (T0339)P199.O and (T0339)P250.O only 0.000 apart, marking (T0339)P250.O as missing WARNING: atoms too close: (T0339)P198.O and (T0339)P250.O only 0.000 apart, marking (T0339)P250.O as missing WARNING: atoms too close: (T0339)L197.O and (T0339)P250.O only 0.000 apart, marking (T0339)P250.O as missing WARNING: atoms too close: (T0339)G196.O and (T0339)P250.O only 0.000 apart, marking (T0339)P250.O as missing WARNING: atoms too close: (T0339)A195.O and (T0339)P250.O only 0.000 apart, marking (T0339)P250.O as missing WARNING: atoms too close: (T0339)A194.O and (T0339)P250.O only 0.000 apart, marking (T0339)P250.O as missing WARNING: atoms too close: (T0339)V193.O and (T0339)P250.O only 0.000 apart, marking (T0339)P250.O as missing WARNING: atoms too close: (T0339)R192.O and (T0339)P250.O only 0.000 apart, marking (T0339)P250.O as missing WARNING: atoms too close: (T0339)E191.O and (T0339)P250.O only 0.000 apart, marking (T0339)P250.O as missing WARNING: atoms too close: (T0339)Q190.O and (T0339)P250.O only 0.000 apart, marking (T0339)P250.O as missing WARNING: atoms too close: (T0339)P139.O and (T0339)P250.O only 0.000 apart, marking (T0339)P250.O as missing WARNING: atoms too close: (T0339)V128.O and (T0339)P250.O only 0.000 apart, marking (T0339)P250.O as missing WARNING: atoms too close: (T0339)G105.O and (T0339)P250.O only 0.000 apart, marking (T0339)P250.O as missing WARNING: atoms too close: (T0339)K104.O and (T0339)P250.O only 0.000 apart, marking (T0339)P250.O as missing WARNING: atoms too close: (T0339)V103.O and (T0339)P250.O only 0.000 apart, marking (T0339)P250.O as missing WARNING: atoms too close: (T0339)P102.O and (T0339)P250.O only 0.000 apart, marking (T0339)P250.O as missing WARNING: atoms too close: (T0339)S101.O and (T0339)P250.O only 0.000 apart, marking (T0339)P250.O as missing WARNING: atoms too close: (T0339)H100.O and (T0339)P250.O only 0.000 apart, marking (T0339)P250.O as missing WARNING: atoms too close: (T0339)H99.O and (T0339)P250.O only 0.000 apart, marking (T0339)P250.O as missing WARNING: atoms too close: (T0339)G98.O and (T0339)P250.O only 0.000 apart, marking (T0339)P250.O as missing WARNING: atoms too close: (T0339)G97.O and (T0339)P250.O only 0.000 apart, marking (T0339)P250.O as missing WARNING: atoms too close: (T0339)T96.O and (T0339)P250.O only 0.000 apart, marking (T0339)P250.O as missing WARNING: atoms too close: (T0339)H95.O and (T0339)P250.O only 0.000 apart, marking (T0339)P250.O as missing WARNING: atoms too close: (T0339)G94.O and (T0339)P250.O only 0.000 apart, marking (T0339)P250.O as missing WARNING: atoms too close: (T0339)K93.O and (T0339)P250.O only 0.000 apart, marking (T0339)P250.O as missing WARNING: atoms too close: (T0339)S92.O and (T0339)P250.O only 0.000 apart, marking (T0339)P250.O as missing WARNING: atoms too close: (T0339)T91.O and (T0339)P250.O only 0.000 apart, marking (T0339)P250.O as missing WARNING: atoms too close: (T0339)Q90.O and (T0339)P250.O only 0.000 apart, marking (T0339)P250.O as missing WARNING: atoms too close: (T0339)N89.O and (T0339)P250.O only 0.000 apart, marking (T0339)P250.O as missing WARNING: atoms too close: (T0339)P199.C and (T0339)P250.C only 0.000 apart, marking (T0339)P250.C as missing WARNING: atoms too close: (T0339)P198.C and (T0339)P250.C only 0.000 apart, marking (T0339)P250.C as missing WARNING: atoms too close: (T0339)L197.C and (T0339)P250.C only 0.000 apart, marking (T0339)P250.C as missing WARNING: atoms too close: (T0339)G196.C and (T0339)P250.C only 0.000 apart, marking (T0339)P250.C as missing WARNING: atoms too close: (T0339)A195.C and (T0339)P250.C only 0.000 apart, marking (T0339)P250.C as missing WARNING: atoms too close: (T0339)A194.C and (T0339)P250.C only 0.000 apart, marking (T0339)P250.C as missing WARNING: atoms too close: (T0339)V193.C and (T0339)P250.C only 0.000 apart, marking (T0339)P250.C as missing WARNING: atoms too close: (T0339)R192.C and (T0339)P250.C only 0.000 apart, marking (T0339)P250.C as missing WARNING: atoms too close: (T0339)E191.C and (T0339)P250.C only 0.000 apart, marking (T0339)P250.C as missing WARNING: atoms too close: (T0339)Q190.C and (T0339)P250.C only 0.000 apart, marking (T0339)P250.C as missing WARNING: atoms too close: (T0339)P139.C and (T0339)P250.C only 0.000 apart, marking (T0339)P250.C as missing WARNING: atoms too close: (T0339)V128.C and (T0339)P250.C only 0.000 apart, marking (T0339)P250.C as missing WARNING: atoms too close: (T0339)G105.C and (T0339)P250.C only 0.000 apart, marking (T0339)P250.C as missing WARNING: atoms too close: (T0339)K104.C and (T0339)P250.C only 0.000 apart, marking (T0339)P250.C as missing WARNING: atoms too close: (T0339)V103.C and (T0339)P250.C only 0.000 apart, marking (T0339)P250.C as missing WARNING: atoms too close: (T0339)P102.C and (T0339)P250.C only 0.000 apart, marking (T0339)P250.C as missing WARNING: atoms too close: (T0339)S101.C and (T0339)P250.C only 0.000 apart, marking (T0339)P250.C as missing WARNING: atoms too close: (T0339)H100.C and (T0339)P250.C only 0.000 apart, marking (T0339)P250.C as missing WARNING: atoms too close: (T0339)H99.C and (T0339)P250.C only 0.000 apart, marking (T0339)P250.C as missing WARNING: atoms too close: (T0339)G98.C and (T0339)P250.C only 0.000 apart, marking (T0339)P250.C as missing WARNING: atoms too close: (T0339)G97.C and (T0339)P250.C only 0.000 apart, marking (T0339)P250.C as missing WARNING: atoms too close: (T0339)T96.C and (T0339)P250.C only 0.000 apart, marking (T0339)P250.C as missing WARNING: atoms too close: (T0339)H95.C and (T0339)P250.C only 0.000 apart, marking (T0339)P250.C as missing WARNING: atoms too close: (T0339)G94.C and (T0339)P250.C only 0.000 apart, marking (T0339)P250.C as missing WARNING: atoms too close: (T0339)K93.C and (T0339)P250.C only 0.000 apart, marking (T0339)P250.C as missing WARNING: atoms too close: (T0339)S92.C and (T0339)P250.C only 0.000 apart, marking (T0339)P250.C as missing WARNING: atoms too close: (T0339)T91.C and (T0339)P250.C only 0.000 apart, marking (T0339)P250.C as missing WARNING: atoms too close: (T0339)Q90.C and (T0339)P250.C only 0.000 apart, marking (T0339)P250.C as missing WARNING: atoms too close: (T0339)N89.C and (T0339)P250.C only 0.000 apart, marking (T0339)P250.C as missing WARNING: atoms too close: (T0339)P250.N and (T0339)A308.N only 0.000 apart, marking (T0339)P250.N as missing WARNING: atoms too close: (T0339)P199.N and (T0339)A308.N only 0.000 apart, marking (T0339)P199.N as missing WARNING: atoms too close: (T0339)P198.N and (T0339)A308.N only 0.000 apart, marking (T0339)P198.N as missing WARNING: atoms too close: (T0339)L197.N and (T0339)A308.N only 0.000 apart, marking (T0339)L197.N as missing WARNING: atoms too close: (T0339)G196.N and (T0339)A308.N only 0.000 apart, marking (T0339)G196.N as missing WARNING: atoms too close: (T0339)A195.N and (T0339)A308.N only 0.000 apart, marking (T0339)A195.N as missing WARNING: atoms too close: (T0339)A194.N and (T0339)A308.N only 0.000 apart, marking (T0339)A194.N as missing WARNING: atoms too close: (T0339)V193.N and (T0339)A308.N only 0.000 apart, marking (T0339)V193.N as missing WARNING: atoms too close: (T0339)R192.N and (T0339)A308.N only 0.000 apart, marking (T0339)R192.N as missing WARNING: atoms too close: (T0339)E191.N and (T0339)A308.N only 0.000 apart, marking (T0339)E191.N as missing WARNING: atoms too close: (T0339)Q190.N and (T0339)A308.N only 0.000 apart, marking (T0339)Q190.N as missing WARNING: atoms too close: (T0339)P139.N and (T0339)A308.N only 0.000 apart, marking (T0339)P139.N as missing WARNING: atoms too close: (T0339)V128.N and (T0339)A308.N only 0.000 apart, marking (T0339)V128.N as missing WARNING: atoms too close: (T0339)G105.N and (T0339)A308.N only 0.000 apart, marking (T0339)G105.N as missing WARNING: atoms too close: (T0339)K104.N and (T0339)A308.N only 0.000 apart, marking (T0339)K104.N as missing WARNING: atoms too close: (T0339)V103.N and (T0339)A308.N only 0.000 apart, marking (T0339)V103.N as missing WARNING: atoms too close: (T0339)P102.N and (T0339)A308.N only 0.000 apart, marking (T0339)P102.N as missing WARNING: atoms too close: (T0339)S101.N and (T0339)A308.N only 0.000 apart, marking (T0339)S101.N as missing WARNING: atoms too close: (T0339)H100.N and (T0339)A308.N only 0.000 apart, marking (T0339)H100.N as missing WARNING: atoms too close: (T0339)H99.N and (T0339)A308.N only 0.000 apart, marking (T0339)H99.N as missing WARNING: atoms too close: (T0339)G98.N and (T0339)A308.N only 0.000 apart, marking (T0339)G98.N as missing WARNING: atoms too close: (T0339)G97.N and (T0339)A308.N only 0.000 apart, marking (T0339)G97.N as missing WARNING: atoms too close: (T0339)T96.N and (T0339)A308.N only 0.000 apart, marking (T0339)T96.N as missing WARNING: atoms too close: (T0339)H95.N and (T0339)A308.N only 0.000 apart, marking (T0339)H95.N as missing WARNING: atoms too close: (T0339)G94.N and (T0339)A308.N only 0.000 apart, marking (T0339)G94.N as missing WARNING: atoms too close: (T0339)K93.N and (T0339)A308.N only 0.000 apart, marking (T0339)K93.N as missing WARNING: atoms too close: (T0339)S92.N and (T0339)A308.N only 0.000 apart, marking (T0339)S92.N as missing WARNING: atoms too close: (T0339)T91.N and (T0339)A308.N only 0.000 apart, marking (T0339)T91.N as missing WARNING: atoms too close: (T0339)Q90.N and (T0339)A308.N only 0.000 apart, marking (T0339)Q90.N as missing WARNING: atoms too close: (T0339)N89.N and (T0339)A308.N only 0.000 apart, marking (T0339)A308.N as missing WARNING: atoms too close: (T0339)P250.CA and (T0339)A308.CA only 0.000 apart, marking (T0339)A308.CA as missing WARNING: atoms too close: (T0339)P199.CA and (T0339)A308.CA only 0.000 apart, marking (T0339)A308.CA as missing WARNING: atoms too close: (T0339)P198.CA and (T0339)A308.CA only 0.000 apart, marking (T0339)A308.CA as missing WARNING: atoms too close: (T0339)L197.CA and (T0339)A308.CA only 0.000 apart, marking (T0339)A308.CA as missing WARNING: atoms too close: (T0339)G196.CA and (T0339)A308.CA only 0.000 apart, marking (T0339)A308.CA as missing WARNING: atoms too close: (T0339)A195.CA and (T0339)A308.CA only 0.000 apart, marking (T0339)A308.CA as missing WARNING: atoms too close: (T0339)A194.CA and (T0339)A308.CA only 0.000 apart, marking (T0339)A308.CA as missing WARNING: atoms too close: (T0339)V193.CA and (T0339)A308.CA only 0.000 apart, marking (T0339)A308.CA as missing WARNING: atoms too close: (T0339)R192.CA and (T0339)A308.CA only 0.000 apart, marking (T0339)A308.CA as missing WARNING: atoms too close: (T0339)E191.CA and (T0339)A308.CA only 0.000 apart, marking (T0339)A308.CA as missing WARNING: atoms too close: (T0339)Q190.CA and (T0339)A308.CA only 0.000 apart, marking (T0339)A308.CA as missing WARNING: atoms too close: (T0339)P139.CA and (T0339)A308.CA only 0.000 apart, marking (T0339)A308.CA as missing WARNING: atoms too close: (T0339)V128.CA and (T0339)A308.CA only 0.000 apart, marking (T0339)A308.CA as missing WARNING: atoms too close: (T0339)G105.CA and (T0339)A308.CA only 0.000 apart, marking (T0339)A308.CA as missing WARNING: atoms too close: (T0339)K104.CA and (T0339)A308.CA only 0.000 apart, marking (T0339)A308.CA as missing WARNING: atoms too close: (T0339)V103.CA and (T0339)A308.CA only 0.000 apart, marking (T0339)A308.CA as missing WARNING: atoms too close: (T0339)P102.CA and (T0339)A308.CA only 0.000 apart, marking (T0339)A308.CA as missing WARNING: atoms too close: (T0339)S101.CA and (T0339)A308.CA only 0.000 apart, marking (T0339)A308.CA as missing WARNING: atoms too close: (T0339)H100.CA and (T0339)A308.CA only 0.000 apart, marking (T0339)A308.CA as missing WARNING: atoms too close: (T0339)H99.CA and (T0339)A308.CA only 0.000 apart, marking (T0339)A308.CA as missing WARNING: atoms too close: (T0339)G98.CA and (T0339)A308.CA only 0.000 apart, marking (T0339)A308.CA as missing WARNING: atoms too close: (T0339)G97.CA and (T0339)A308.CA only 0.000 apart, marking (T0339)A308.CA as missing WARNING: atoms too close: (T0339)T96.CA and (T0339)A308.CA only 0.000 apart, marking (T0339)A308.CA as missing WARNING: atoms too close: (T0339)H95.CA and (T0339)A308.CA only 0.000 apart, marking (T0339)A308.CA as missing WARNING: atoms too close: (T0339)G94.CA and (T0339)A308.CA only 0.000 apart, marking (T0339)A308.CA as missing WARNING: atoms too close: (T0339)K93.CA and (T0339)A308.CA only 0.000 apart, marking (T0339)A308.CA as missing WARNING: atoms too close: (T0339)S92.CA and (T0339)A308.CA only 0.000 apart, marking (T0339)A308.CA as missing WARNING: atoms too close: (T0339)T91.CA and (T0339)A308.CA only 0.000 apart, marking (T0339)A308.CA as missing WARNING: atoms too close: (T0339)Q90.CA and (T0339)A308.CA only 0.000 apart, marking (T0339)A308.CA as missing WARNING: atoms too close: (T0339)N89.CA and (T0339)A308.CA only 0.000 apart, marking (T0339)A308.CA as missing WARNING: atoms too close: (T0339)P250.CB and (T0339)A308.CB only 0.000 apart, marking (T0339)A308.CB as missing WARNING: atoms too close: (T0339)P199.CB and (T0339)A308.CB only 0.000 apart, marking (T0339)A308.CB as missing WARNING: atoms too close: (T0339)P198.CB and (T0339)A308.CB only 0.000 apart, marking (T0339)A308.CB as missing WARNING: atoms too close: (T0339)L197.CB and (T0339)A308.CB only 0.000 apart, marking (T0339)A308.CB as missing WARNING: atoms too close: (T0339)A195.CB and (T0339)A308.CB only 0.000 apart, marking (T0339)A308.CB as missing WARNING: atoms too close: (T0339)A194.CB and (T0339)A308.CB only 0.000 apart, marking (T0339)A308.CB as missing WARNING: atoms too close: (T0339)V193.CB and (T0339)A308.CB only 0.000 apart, marking (T0339)A308.CB as missing WARNING: atoms too close: (T0339)R192.CB and (T0339)A308.CB only 0.000 apart, marking (T0339)A308.CB as missing WARNING: atoms too close: (T0339)E191.CB and (T0339)A308.CB only 0.000 apart, marking (T0339)A308.CB as missing WARNING: atoms too close: (T0339)Q190.CB and (T0339)A308.CB only 0.000 apart, marking (T0339)A308.CB as missing WARNING: atoms too close: (T0339)P139.CB and (T0339)A308.CB only 0.000 apart, marking (T0339)A308.CB as missing WARNING: atoms too close: (T0339)V128.CB and (T0339)A308.CB only 0.000 apart, marking (T0339)A308.CB as missing WARNING: atoms too close: (T0339)K104.CB and (T0339)A308.CB only 0.000 apart, marking (T0339)A308.CB as missing WARNING: atoms too close: (T0339)V103.CB and (T0339)A308.CB only 0.000 apart, marking (T0339)A308.CB as missing WARNING: atoms too close: (T0339)P102.CB and (T0339)A308.CB only 0.000 apart, marking (T0339)A308.CB as missing WARNING: atoms too close: (T0339)S101.CB and (T0339)A308.CB only 0.000 apart, marking (T0339)A308.CB as missing WARNING: atoms too close: (T0339)H100.CB and (T0339)A308.CB only 0.000 apart, marking (T0339)A308.CB as missing WARNING: atoms too close: (T0339)H99.CB and (T0339)A308.CB only 0.000 apart, marking (T0339)A308.CB as missing WARNING: atoms too close: (T0339)T96.CB and (T0339)A308.CB only 0.000 apart, marking (T0339)A308.CB as missing WARNING: atoms too close: (T0339)H95.CB and (T0339)A308.CB only 0.000 apart, marking (T0339)A308.CB as missing WARNING: atoms too close: (T0339)K93.CB and (T0339)A308.CB only 0.000 apart, marking (T0339)A308.CB as missing WARNING: atoms too close: (T0339)S92.CB and (T0339)A308.CB only 0.000 apart, marking (T0339)A308.CB as missing WARNING: atoms too close: (T0339)T91.CB and (T0339)A308.CB only 0.000 apart, marking (T0339)A308.CB as missing WARNING: atoms too close: (T0339)Q90.CB and (T0339)A308.CB only 0.000 apart, marking (T0339)A308.CB as missing WARNING: atoms too close: (T0339)N89.CB and (T0339)A308.CB only 0.000 apart, marking (T0339)A308.CB as missing WARNING: atoms too close: (T0339)P250.O and (T0339)A308.O only 0.000 apart, marking (T0339)A308.O as missing WARNING: atoms too close: (T0339)P199.O and (T0339)A308.O only 0.000 apart, marking (T0339)A308.O as missing WARNING: atoms too close: (T0339)P198.O and (T0339)A308.O only 0.000 apart, marking (T0339)A308.O as missing WARNING: atoms too close: (T0339)L197.O and (T0339)A308.O only 0.000 apart, marking (T0339)A308.O as missing WARNING: atoms too close: (T0339)G196.O and (T0339)A308.O only 0.000 apart, marking (T0339)A308.O as missing WARNING: atoms too close: (T0339)A195.O and (T0339)A308.O only 0.000 apart, marking (T0339)A308.O as missing WARNING: atoms too close: (T0339)A194.O and (T0339)A308.O only 0.000 apart, marking (T0339)A308.O as missing WARNING: atoms too close: (T0339)V193.O and (T0339)A308.O only 0.000 apart, marking (T0339)A308.O as missing WARNING: atoms too close: (T0339)R192.O and (T0339)A308.O only 0.000 apart, marking (T0339)A308.O as missing WARNING: atoms too close: (T0339)E191.O and (T0339)A308.O only 0.000 apart, marking (T0339)A308.O as missing WARNING: atoms too close: (T0339)Q190.O and (T0339)A308.O only 0.000 apart, marking (T0339)A308.O as missing WARNING: atoms too close: (T0339)P139.O and (T0339)A308.O only 0.000 apart, marking (T0339)A308.O as missing WARNING: atoms too close: (T0339)V128.O and (T0339)A308.O only 0.000 apart, marking (T0339)A308.O as missing WARNING: atoms too close: (T0339)G105.O and (T0339)A308.O only 0.000 apart, marking (T0339)A308.O as missing WARNING: atoms too close: (T0339)K104.O and (T0339)A308.O only 0.000 apart, marking (T0339)A308.O as missing WARNING: atoms too close: (T0339)V103.O and (T0339)A308.O only 0.000 apart, marking (T0339)A308.O as missing WARNING: atoms too close: (T0339)P102.O and (T0339)A308.O only 0.000 apart, marking (T0339)A308.O as missing WARNING: atoms too close: (T0339)S101.O and (T0339)A308.O only 0.000 apart, marking (T0339)A308.O as missing WARNING: atoms too close: (T0339)H100.O and (T0339)A308.O only 0.000 apart, marking (T0339)A308.O as missing WARNING: atoms too close: (T0339)H99.O and (T0339)A308.O only 0.000 apart, marking (T0339)A308.O as missing WARNING: atoms too close: (T0339)G98.O and (T0339)A308.O only 0.000 apart, marking (T0339)A308.O as missing WARNING: atoms too close: (T0339)G97.O and (T0339)A308.O only 0.000 apart, marking (T0339)A308.O as missing WARNING: atoms too close: (T0339)T96.O and (T0339)A308.O only 0.000 apart, marking (T0339)A308.O as missing WARNING: atoms too close: (T0339)H95.O and (T0339)A308.O only 0.000 apart, marking (T0339)A308.O as missing WARNING: atoms too close: (T0339)G94.O and (T0339)A308.O only 0.000 apart, marking (T0339)A308.O as missing WARNING: atoms too close: (T0339)K93.O and (T0339)A308.O only 0.000 apart, marking (T0339)A308.O as missing WARNING: atoms too close: (T0339)S92.O and (T0339)A308.O only 0.000 apart, marking (T0339)A308.O as missing WARNING: atoms too close: (T0339)T91.O and (T0339)A308.O only 0.000 apart, marking (T0339)A308.O as missing WARNING: atoms too close: (T0339)Q90.O and (T0339)A308.O only 0.000 apart, marking (T0339)A308.O as missing WARNING: atoms too close: (T0339)N89.O and (T0339)A308.O only 0.000 apart, marking (T0339)A308.O as missing WARNING: atoms too close: (T0339)P250.C and (T0339)A308.C only 0.000 apart, marking (T0339)A308.C as missing WARNING: atoms too close: (T0339)P199.C and (T0339)A308.C only 0.000 apart, marking (T0339)A308.C as missing WARNING: atoms too close: (T0339)P198.C and (T0339)A308.C only 0.000 apart, marking (T0339)A308.C as missing WARNING: atoms too close: (T0339)L197.C and (T0339)A308.C only 0.000 apart, marking (T0339)A308.C as missing WARNING: atoms too close: (T0339)G196.C and (T0339)A308.C only 0.000 apart, marking (T0339)A308.C as missing WARNING: atoms too close: (T0339)A195.C and (T0339)A308.C only 0.000 apart, marking (T0339)A308.C as missing WARNING: atoms too close: (T0339)A194.C and (T0339)A308.C only 0.000 apart, marking (T0339)A308.C as missing WARNING: atoms too close: (T0339)V193.C and (T0339)A308.C only 0.000 apart, marking (T0339)A308.C as missing WARNING: atoms too close: (T0339)R192.C and (T0339)A308.C only 0.000 apart, marking (T0339)A308.C as missing WARNING: atoms too close: (T0339)E191.C and (T0339)A308.C only 0.000 apart, marking (T0339)A308.C as missing WARNING: atoms too close: (T0339)Q190.C and (T0339)A308.C only 0.000 apart, marking (T0339)A308.C as missing WARNING: atoms too close: (T0339)P139.C and (T0339)A308.C only 0.000 apart, marking (T0339)A308.C as missing WARNING: atoms too close: (T0339)V128.C and (T0339)A308.C only 0.000 apart, marking (T0339)A308.C as missing WARNING: atoms too close: (T0339)G105.C and (T0339)A308.C only 0.000 apart, marking (T0339)A308.C as missing WARNING: atoms too close: (T0339)K104.C and (T0339)A308.C only 0.000 apart, marking (T0339)A308.C as missing WARNING: atoms too close: (T0339)V103.C and (T0339)A308.C only 0.000 apart, marking (T0339)A308.C as missing WARNING: atoms too close: (T0339)P102.C and (T0339)A308.C only 0.000 apart, marking (T0339)A308.C as missing WARNING: atoms too close: (T0339)S101.C and (T0339)A308.C only 0.000 apart, marking (T0339)A308.C as missing WARNING: atoms too close: (T0339)H100.C and (T0339)A308.C only 0.000 apart, marking (T0339)A308.C as missing WARNING: atoms too close: (T0339)H99.C and (T0339)A308.C only 0.000 apart, marking (T0339)A308.C as missing WARNING: atoms too close: (T0339)G98.C and (T0339)A308.C only 0.000 apart, marking (T0339)A308.C as missing WARNING: atoms too close: (T0339)G97.C and (T0339)A308.C only 0.000 apart, marking (T0339)A308.C as missing WARNING: atoms too close: (T0339)T96.C and (T0339)A308.C only 0.000 apart, marking (T0339)A308.C as missing WARNING: atoms too close: (T0339)H95.C and (T0339)A308.C only 0.000 apart, marking (T0339)A308.C as missing WARNING: atoms too close: (T0339)G94.C and (T0339)A308.C only 0.000 apart, marking (T0339)A308.C as missing WARNING: atoms too close: (T0339)K93.C and (T0339)A308.C only 0.000 apart, marking (T0339)A308.C as missing WARNING: atoms too close: (T0339)S92.C and (T0339)A308.C only 0.000 apart, marking (T0339)A308.C as missing WARNING: atoms too close: (T0339)T91.C and (T0339)A308.C only 0.000 apart, marking (T0339)A308.C as missing WARNING: atoms too close: (T0339)Q90.C and (T0339)A308.C only 0.000 apart, marking (T0339)A308.C as missing WARNING: atoms too close: (T0339)N89.C and (T0339)A308.C only 0.000 apart, marking (T0339)A308.C as missing WARNING: atoms too close: (T0339)A308.N and (T0339)E309.N only 0.000 apart, marking (T0339)A308.N as missing WARNING: atoms too close: (T0339)P250.N and (T0339)E309.N only 0.000 apart, marking (T0339)P250.N as missing WARNING: atoms too close: (T0339)P199.N and (T0339)E309.N only 0.000 apart, marking (T0339)P199.N as missing WARNING: atoms too close: (T0339)P198.N and (T0339)E309.N only 0.000 apart, marking (T0339)P198.N as missing WARNING: atoms too close: (T0339)L197.N and (T0339)E309.N only 0.000 apart, marking (T0339)L197.N as missing WARNING: atoms too close: (T0339)G196.N and (T0339)E309.N only 0.000 apart, marking (T0339)G196.N as missing WARNING: atoms too close: (T0339)A195.N and (T0339)E309.N only 0.000 apart, marking (T0339)A195.N as missing WARNING: atoms too close: (T0339)A194.N and (T0339)E309.N only 0.000 apart, marking (T0339)A194.N as missing WARNING: atoms too close: (T0339)V193.N and (T0339)E309.N only 0.000 apart, marking (T0339)V193.N as missing WARNING: atoms too close: (T0339)R192.N and (T0339)E309.N only 0.000 apart, marking (T0339)R192.N as missing WARNING: atoms too close: (T0339)E191.N and (T0339)E309.N only 0.000 apart, marking (T0339)E191.N as missing WARNING: atoms too close: (T0339)Q190.N and (T0339)E309.N only 0.000 apart, marking (T0339)Q190.N as missing WARNING: atoms too close: (T0339)P139.N and (T0339)E309.N only 0.000 apart, marking (T0339)P139.N as missing WARNING: atoms too close: (T0339)V128.N and (T0339)E309.N only 0.000 apart, marking (T0339)V128.N as missing WARNING: atoms too close: (T0339)G105.N and (T0339)E309.N only 0.000 apart, marking (T0339)G105.N as missing WARNING: atoms too close: (T0339)K104.N and (T0339)E309.N only 0.000 apart, marking (T0339)K104.N as missing WARNING: atoms too close: (T0339)V103.N and (T0339)E309.N only 0.000 apart, marking (T0339)V103.N as missing WARNING: atoms too close: (T0339)P102.N and (T0339)E309.N only 0.000 apart, marking (T0339)P102.N as missing WARNING: atoms too close: (T0339)S101.N and (T0339)E309.N only 0.000 apart, marking (T0339)S101.N as missing WARNING: atoms too close: (T0339)H100.N and (T0339)E309.N only 0.000 apart, marking (T0339)H100.N as missing WARNING: atoms too close: (T0339)H99.N and (T0339)E309.N only 0.000 apart, marking (T0339)H99.N as missing WARNING: atoms too close: (T0339)G98.N and (T0339)E309.N only 0.000 apart, marking (T0339)G98.N as missing WARNING: atoms too close: (T0339)G97.N and (T0339)E309.N only 0.000 apart, marking (T0339)G97.N as missing WARNING: atoms too close: (T0339)T96.N and (T0339)E309.N only 0.000 apart, marking (T0339)T96.N as missing WARNING: atoms too close: (T0339)H95.N and (T0339)E309.N only 0.000 apart, marking (T0339)H95.N as missing WARNING: atoms too close: (T0339)G94.N and (T0339)E309.N only 0.000 apart, marking (T0339)G94.N as missing WARNING: atoms too close: (T0339)K93.N and (T0339)E309.N only 0.000 apart, marking (T0339)K93.N as missing WARNING: atoms too close: (T0339)S92.N and (T0339)E309.N only 0.000 apart, marking (T0339)S92.N as missing WARNING: atoms too close: (T0339)T91.N and (T0339)E309.N only 0.000 apart, marking (T0339)T91.N as missing WARNING: atoms too close: (T0339)Q90.N and (T0339)E309.N only 0.000 apart, marking (T0339)Q90.N as missing WARNING: atoms too close: (T0339)N89.N and (T0339)E309.N only 0.000 apart, marking (T0339)E309.N as missing WARNING: atoms too close: (T0339)A308.CA and (T0339)E309.CA only 0.000 apart, marking (T0339)E309.CA as missing WARNING: atoms too close: (T0339)P250.CA and (T0339)E309.CA only 0.000 apart, marking (T0339)E309.CA as missing WARNING: atoms too close: (T0339)P199.CA and (T0339)E309.CA only 0.000 apart, marking (T0339)E309.CA as missing WARNING: atoms too close: (T0339)P198.CA and (T0339)E309.CA only 0.000 apart, marking (T0339)E309.CA as missing WARNING: atoms too close: (T0339)L197.CA and (T0339)E309.CA only 0.000 apart, marking (T0339)E309.CA as missing WARNING: atoms too close: (T0339)G196.CA and (T0339)E309.CA only 0.000 apart, marking (T0339)E309.CA as missing WARNING: atoms too close: (T0339)A195.CA and (T0339)E309.CA only 0.000 apart, marking (T0339)E309.CA as missing WARNING: atoms too close: (T0339)A194.CA and (T0339)E309.CA only 0.000 apart, marking (T0339)E309.CA as missing WARNING: atoms too close: (T0339)V193.CA and (T0339)E309.CA only 0.000 apart, marking (T0339)E309.CA as missing WARNING: atoms too close: (T0339)R192.CA and (T0339)E309.CA only 0.000 apart, marking (T0339)E309.CA as missing WARNING: atoms too close: (T0339)E191.CA and (T0339)E309.CA only 0.000 apart, marking (T0339)E309.CA as missing WARNING: atoms too close: (T0339)Q190.CA and (T0339)E309.CA only 0.000 apart, marking (T0339)E309.CA as missing WARNING: atoms too close: (T0339)P139.CA and (T0339)E309.CA only 0.000 apart, marking (T0339)E309.CA as missing WARNING: atoms too close: (T0339)V128.CA and (T0339)E309.CA only 0.000 apart, marking (T0339)E309.CA as missing WARNING: atoms too close: (T0339)G105.CA and (T0339)E309.CA only 0.000 apart, marking (T0339)E309.CA as missing WARNING: atoms too close: (T0339)K104.CA and (T0339)E309.CA only 0.000 apart, marking (T0339)E309.CA as missing WARNING: atoms too close: (T0339)V103.CA and (T0339)E309.CA only 0.000 apart, marking (T0339)E309.CA as missing WARNING: atoms too close: (T0339)P102.CA and (T0339)E309.CA only 0.000 apart, marking (T0339)E309.CA as missing WARNING: atoms too close: (T0339)S101.CA and (T0339)E309.CA only 0.000 apart, marking (T0339)E309.CA as missing WARNING: atoms too close: (T0339)H100.CA and (T0339)E309.CA only 0.000 apart, marking (T0339)E309.CA as missing WARNING: atoms too close: (T0339)H99.CA and (T0339)E309.CA only 0.000 apart, marking (T0339)E309.CA as missing WARNING: atoms too close: (T0339)G98.CA and (T0339)E309.CA only 0.000 apart, marking (T0339)E309.CA as missing WARNING: atoms too close: (T0339)G97.CA and (T0339)E309.CA only 0.000 apart, marking (T0339)E309.CA as missing WARNING: atoms too close: (T0339)T96.CA and (T0339)E309.CA only 0.000 apart, marking (T0339)E309.CA as missing WARNING: atoms too close: (T0339)H95.CA and (T0339)E309.CA only 0.000 apart, marking (T0339)E309.CA as missing WARNING: atoms too close: (T0339)G94.CA and (T0339)E309.CA only 0.000 apart, marking (T0339)E309.CA as missing WARNING: atoms too close: (T0339)K93.CA and (T0339)E309.CA only 0.000 apart, marking (T0339)E309.CA as missing WARNING: atoms too close: (T0339)S92.CA and (T0339)E309.CA only 0.000 apart, marking (T0339)E309.CA as missing WARNING: atoms too close: (T0339)T91.CA and (T0339)E309.CA only 0.000 apart, marking (T0339)E309.CA as missing WARNING: atoms too close: (T0339)Q90.CA and (T0339)E309.CA only 0.000 apart, marking (T0339)E309.CA as missing WARNING: atoms too close: (T0339)N89.CA and (T0339)E309.CA only 0.000 apart, marking (T0339)E309.CA as missing WARNING: atoms too close: (T0339)A308.CB and (T0339)E309.CB only 0.000 apart, marking (T0339)E309.CB as missing WARNING: atoms too close: (T0339)P250.CB and (T0339)E309.CB only 0.000 apart, marking (T0339)E309.CB as missing WARNING: atoms too close: (T0339)P199.CB and (T0339)E309.CB only 0.000 apart, marking (T0339)E309.CB as missing WARNING: atoms too close: (T0339)P198.CB and (T0339)E309.CB only 0.000 apart, marking (T0339)E309.CB as missing WARNING: atoms too close: (T0339)L197.CB and (T0339)E309.CB only 0.000 apart, marking (T0339)E309.CB as missing WARNING: atoms too close: (T0339)A195.CB and (T0339)E309.CB only 0.000 apart, marking (T0339)E309.CB as missing WARNING: atoms too close: (T0339)A194.CB and (T0339)E309.CB only 0.000 apart, marking (T0339)E309.CB as missing WARNING: atoms too close: (T0339)V193.CB and (T0339)E309.CB only 0.000 apart, marking (T0339)E309.CB as missing WARNING: atoms too close: (T0339)R192.CB and (T0339)E309.CB only 0.000 apart, marking (T0339)E309.CB as missing WARNING: atoms too close: (T0339)E191.CB and (T0339)E309.CB only 0.000 apart, marking (T0339)E309.CB as missing WARNING: atoms too close: (T0339)Q190.CB and (T0339)E309.CB only 0.000 apart, marking (T0339)E309.CB as missing WARNING: atoms too close: (T0339)P139.CB and (T0339)E309.CB only 0.000 apart, marking (T0339)E309.CB as missing WARNING: atoms too close: (T0339)V128.CB and (T0339)E309.CB only 0.000 apart, marking (T0339)E309.CB as missing WARNING: atoms too close: (T0339)K104.CB and (T0339)E309.CB only 0.000 apart, marking (T0339)E309.CB as missing WARNING: atoms too close: (T0339)V103.CB and (T0339)E309.CB only 0.000 apart, marking (T0339)E309.CB as missing WARNING: atoms too close: (T0339)P102.CB and (T0339)E309.CB only 0.000 apart, marking (T0339)E309.CB as missing WARNING: atoms too close: (T0339)S101.CB and (T0339)E309.CB only 0.000 apart, marking (T0339)E309.CB as missing WARNING: atoms too close: (T0339)H100.CB and (T0339)E309.CB only 0.000 apart, marking (T0339)E309.CB as missing WARNING: atoms too close: (T0339)H99.CB and (T0339)E309.CB only 0.000 apart, marking (T0339)E309.CB as missing WARNING: atoms too close: (T0339)T96.CB and (T0339)E309.CB only 0.000 apart, marking (T0339)E309.CB as missing WARNING: atoms too close: (T0339)H95.CB and (T0339)E309.CB only 0.000 apart, marking (T0339)E309.CB as missing WARNING: atoms too close: (T0339)K93.CB and (T0339)E309.CB only 0.000 apart, marking (T0339)E309.CB as missing WARNING: atoms too close: (T0339)S92.CB and (T0339)E309.CB only 0.000 apart, marking (T0339)E309.CB as missing WARNING: atoms too close: (T0339)T91.CB and (T0339)E309.CB only 0.000 apart, marking (T0339)E309.CB as missing WARNING: atoms too close: (T0339)Q90.CB and (T0339)E309.CB only 0.000 apart, marking (T0339)E309.CB as missing WARNING: atoms too close: (T0339)N89.CB and (T0339)E309.CB only 0.000 apart, marking (T0339)E309.CB as missing WARNING: atoms too close: (T0339)A308.O and (T0339)E309.O only 0.000 apart, marking (T0339)E309.O as missing WARNING: atoms too close: (T0339)P250.O and (T0339)E309.O only 0.000 apart, marking (T0339)E309.O as missing WARNING: atoms too close: (T0339)P199.O and (T0339)E309.O only 0.000 apart, marking (T0339)E309.O as missing WARNING: atoms too close: (T0339)P198.O and (T0339)E309.O only 0.000 apart, marking (T0339)E309.O as missing WARNING: atoms too close: (T0339)L197.O and (T0339)E309.O only 0.000 apart, marking (T0339)E309.O as missing WARNING: atoms too close: (T0339)G196.O and (T0339)E309.O only 0.000 apart, marking (T0339)E309.O as missing WARNING: atoms too close: (T0339)A195.O and (T0339)E309.O only 0.000 apart, marking (T0339)E309.O as missing WARNING: atoms too close: (T0339)A194.O and (T0339)E309.O only 0.000 apart, marking (T0339)E309.O as missing WARNING: atoms too close: (T0339)V193.O and (T0339)E309.O only 0.000 apart, marking (T0339)E309.O as missing WARNING: atoms too close: (T0339)R192.O and (T0339)E309.O only 0.000 apart, marking (T0339)E309.O as missing WARNING: atoms too close: (T0339)E191.O and (T0339)E309.O only 0.000 apart, marking (T0339)E309.O as missing WARNING: atoms too close: (T0339)Q190.O and (T0339)E309.O only 0.000 apart, marking (T0339)E309.O as missing WARNING: atoms too close: (T0339)P139.O and (T0339)E309.O only 0.000 apart, marking (T0339)E309.O as missing WARNING: atoms too close: (T0339)V128.O and (T0339)E309.O only 0.000 apart, marking (T0339)E309.O as missing WARNING: atoms too close: (T0339)G105.O and (T0339)E309.O only 0.000 apart, marking (T0339)E309.O as missing WARNING: atoms too close: (T0339)K104.O and (T0339)E309.O only 0.000 apart, marking (T0339)E309.O as missing WARNING: atoms too close: (T0339)V103.O and (T0339)E309.O only 0.000 apart, marking (T0339)E309.O as missing WARNING: atoms too close: (T0339)P102.O and (T0339)E309.O only 0.000 apart, marking (T0339)E309.O as missing WARNING: atoms too close: (T0339)S101.O and (T0339)E309.O only 0.000 apart, marking (T0339)E309.O as missing WARNING: atoms too close: (T0339)H100.O and (T0339)E309.O only 0.000 apart, marking (T0339)E309.O as missing WARNING: atoms too close: (T0339)H99.O and (T0339)E309.O only 0.000 apart, marking (T0339)E309.O as missing WARNING: atoms too close: (T0339)G98.O and (T0339)E309.O only 0.000 apart, marking (T0339)E309.O as missing WARNING: atoms too close: (T0339)G97.O and (T0339)E309.O only 0.000 apart, marking (T0339)E309.O as missing WARNING: atoms too close: (T0339)T96.O and (T0339)E309.O only 0.000 apart, marking (T0339)E309.O as missing WARNING: atoms too close: (T0339)H95.O and (T0339)E309.O only 0.000 apart, marking (T0339)E309.O as missing WARNING: atoms too close: (T0339)G94.O and (T0339)E309.O only 0.000 apart, marking (T0339)E309.O as missing WARNING: atoms too close: (T0339)K93.O and (T0339)E309.O only 0.000 apart, marking (T0339)E309.O as missing WARNING: atoms too close: (T0339)S92.O and (T0339)E309.O only 0.000 apart, marking (T0339)E309.O as missing WARNING: atoms too close: (T0339)T91.O and (T0339)E309.O only 0.000 apart, marking (T0339)E309.O as missing WARNING: atoms too close: (T0339)Q90.O and (T0339)E309.O only 0.000 apart, marking (T0339)E309.O as missing WARNING: atoms too close: (T0339)N89.O and (T0339)E309.O only 0.000 apart, marking (T0339)E309.O as missing WARNING: atoms too close: (T0339)A308.C and (T0339)E309.C only 0.000 apart, marking (T0339)E309.C as missing WARNING: atoms too close: (T0339)P250.C and (T0339)E309.C only 0.000 apart, marking (T0339)E309.C as missing WARNING: atoms too close: (T0339)P199.C and (T0339)E309.C only 0.000 apart, marking (T0339)E309.C as missing WARNING: atoms too close: (T0339)P198.C and (T0339)E309.C only 0.000 apart, marking (T0339)E309.C as missing WARNING: atoms too close: (T0339)L197.C and (T0339)E309.C only 0.000 apart, marking (T0339)E309.C as missing WARNING: atoms too close: (T0339)G196.C and (T0339)E309.C only 0.000 apart, marking (T0339)E309.C as missing WARNING: atoms too close: (T0339)A195.C and (T0339)E309.C only 0.000 apart, marking (T0339)E309.C as missing WARNING: atoms too close: (T0339)A194.C and (T0339)E309.C only 0.000 apart, marking (T0339)E309.C as missing WARNING: atoms too close: (T0339)V193.C and (T0339)E309.C only 0.000 apart, marking (T0339)E309.C as missing WARNING: atoms too close: (T0339)R192.C and (T0339)E309.C only 0.000 apart, marking (T0339)E309.C as missing WARNING: atoms too close: (T0339)E191.C and (T0339)E309.C only 0.000 apart, marking (T0339)E309.C as missing WARNING: atoms too close: (T0339)Q190.C and (T0339)E309.C only 0.000 apart, marking (T0339)E309.C as missing WARNING: atoms too close: (T0339)P139.C and (T0339)E309.C only 0.000 apart, marking (T0339)E309.C as missing WARNING: atoms too close: (T0339)V128.C and (T0339)E309.C only 0.000 apart, marking (T0339)E309.C as missing WARNING: atoms too close: (T0339)G105.C and (T0339)E309.C only 0.000 apart, marking (T0339)E309.C as missing WARNING: atoms too close: (T0339)K104.C and (T0339)E309.C only 0.000 apart, marking (T0339)E309.C as missing WARNING: atoms too close: (T0339)V103.C and (T0339)E309.C only 0.000 apart, marking (T0339)E309.C as missing WARNING: atoms too close: (T0339)P102.C and (T0339)E309.C only 0.000 apart, marking (T0339)E309.C as missing WARNING: atoms too close: (T0339)S101.C and (T0339)E309.C only 0.000 apart, marking (T0339)E309.C as missing WARNING: atoms too close: (T0339)H100.C and (T0339)E309.C only 0.000 apart, marking (T0339)E309.C as missing WARNING: atoms too close: (T0339)H99.C and (T0339)E309.C only 0.000 apart, marking (T0339)E309.C as missing WARNING: atoms too close: (T0339)G98.C and (T0339)E309.C only 0.000 apart, marking (T0339)E309.C as missing WARNING: atoms too close: (T0339)G97.C and (T0339)E309.C only 0.000 apart, marking (T0339)E309.C as missing WARNING: atoms too close: (T0339)T96.C and (T0339)E309.C only 0.000 apart, marking (T0339)E309.C as missing WARNING: atoms too close: (T0339)H95.C and (T0339)E309.C only 0.000 apart, marking (T0339)E309.C as missing WARNING: atoms too close: (T0339)G94.C and (T0339)E309.C only 0.000 apart, marking (T0339)E309.C as missing WARNING: atoms too close: (T0339)K93.C and (T0339)E309.C only 0.000 apart, marking (T0339)E309.C as missing WARNING: atoms too close: (T0339)S92.C and (T0339)E309.C only 0.000 apart, marking (T0339)E309.C as missing WARNING: atoms too close: (T0339)T91.C and (T0339)E309.C only 0.000 apart, marking (T0339)E309.C as missing WARNING: atoms too close: (T0339)Q90.C and (T0339)E309.C only 0.000 apart, marking (T0339)E309.C as missing WARNING: atoms too close: (T0339)N89.C and (T0339)E309.C only 0.000 apart, marking (T0339)E309.C as missing WARNING: atoms too close: (T0339)E309.N and (T0339)F310.N only 0.000 apart, marking (T0339)E309.N as missing WARNING: atoms too close: (T0339)A308.N and (T0339)F310.N only 0.000 apart, marking (T0339)A308.N as missing WARNING: atoms too close: (T0339)P250.N and (T0339)F310.N only 0.000 apart, marking (T0339)P250.N as missing WARNING: atoms too close: (T0339)P199.N and (T0339)F310.N only 0.000 apart, marking (T0339)P199.N as missing WARNING: atoms too close: (T0339)P198.N and (T0339)F310.N only 0.000 apart, marking (T0339)P198.N as missing WARNING: atoms too close: (T0339)L197.N and (T0339)F310.N only 0.000 apart, marking (T0339)L197.N as missing WARNING: atoms too close: (T0339)G196.N and (T0339)F310.N only 0.000 apart, marking (T0339)G196.N as missing WARNING: atoms too close: (T0339)A195.N and (T0339)F310.N only 0.000 apart, marking (T0339)A195.N as missing WARNING: atoms too close: (T0339)A194.N and (T0339)F310.N only 0.000 apart, marking (T0339)A194.N as missing WARNING: atoms too close: (T0339)V193.N and (T0339)F310.N only 0.000 apart, marking (T0339)V193.N as missing WARNING: atoms too close: (T0339)R192.N and (T0339)F310.N only 0.000 apart, marking (T0339)R192.N as missing WARNING: atoms too close: (T0339)E191.N and (T0339)F310.N only 0.000 apart, marking (T0339)E191.N as missing WARNING: atoms too close: (T0339)Q190.N and (T0339)F310.N only 0.000 apart, marking (T0339)Q190.N as missing WARNING: atoms too close: (T0339)P139.N and (T0339)F310.N only 0.000 apart, marking (T0339)P139.N as missing WARNING: atoms too close: (T0339)V128.N and (T0339)F310.N only 0.000 apart, marking (T0339)V128.N as missing WARNING: atoms too close: (T0339)G105.N and (T0339)F310.N only 0.000 apart, marking (T0339)G105.N as missing WARNING: atoms too close: (T0339)K104.N and (T0339)F310.N only 0.000 apart, marking (T0339)K104.N as missing WARNING: atoms too close: (T0339)V103.N and (T0339)F310.N only 0.000 apart, marking (T0339)V103.N as missing WARNING: atoms too close: (T0339)P102.N and (T0339)F310.N only 0.000 apart, marking (T0339)P102.N as missing WARNING: atoms too close: (T0339)S101.N and (T0339)F310.N only 0.000 apart, marking (T0339)S101.N as missing WARNING: atoms too close: (T0339)H100.N and (T0339)F310.N only 0.000 apart, marking (T0339)H100.N as missing WARNING: atoms too close: (T0339)H99.N and (T0339)F310.N only 0.000 apart, marking (T0339)H99.N as missing WARNING: atoms too close: (T0339)G98.N and (T0339)F310.N only 0.000 apart, marking (T0339)G98.N as missing WARNING: atoms too close: (T0339)G97.N and (T0339)F310.N only 0.000 apart, marking (T0339)G97.N as missing WARNING: atoms too close: (T0339)T96.N and (T0339)F310.N only 0.000 apart, marking (T0339)T96.N as missing WARNING: atoms too close: (T0339)H95.N and (T0339)F310.N only 0.000 apart, marking (T0339)H95.N as missing WARNING: atoms too close: (T0339)G94.N and (T0339)F310.N only 0.000 apart, marking (T0339)G94.N as missing WARNING: atoms too close: (T0339)K93.N and (T0339)F310.N only 0.000 apart, marking (T0339)K93.N as missing WARNING: atoms too close: (T0339)S92.N and (T0339)F310.N only 0.000 apart, marking (T0339)S92.N as missing WARNING: atoms too close: (T0339)T91.N and (T0339)F310.N only 0.000 apart, marking (T0339)T91.N as missing WARNING: atoms too close: (T0339)Q90.N and (T0339)F310.N only 0.000 apart, marking (T0339)Q90.N as missing WARNING: atoms too close: (T0339)N89.N and (T0339)F310.N only 0.000 apart, marking (T0339)F310.N as missing WARNING: atoms too close: (T0339)E309.CA and (T0339)F310.CA only 0.000 apart, marking (T0339)F310.CA as missing WARNING: atoms too close: (T0339)A308.CA and (T0339)F310.CA only 0.000 apart, marking (T0339)F310.CA as missing WARNING: atoms too close: (T0339)P250.CA and (T0339)F310.CA only 0.000 apart, marking (T0339)F310.CA as missing WARNING: atoms too close: (T0339)P199.CA and (T0339)F310.CA only 0.000 apart, marking (T0339)F310.CA as missing WARNING: atoms too close: (T0339)P198.CA and (T0339)F310.CA only 0.000 apart, marking (T0339)F310.CA as missing WARNING: atoms too close: (T0339)L197.CA and (T0339)F310.CA only 0.000 apart, marking (T0339)F310.CA as missing WARNING: atoms too close: (T0339)G196.CA and (T0339)F310.CA only 0.000 apart, marking (T0339)F310.CA as missing WARNING: atoms too close: (T0339)A195.CA and (T0339)F310.CA only 0.000 apart, marking (T0339)F310.CA as missing WARNING: atoms too close: (T0339)A194.CA and (T0339)F310.CA only 0.000 apart, marking (T0339)F310.CA as missing WARNING: atoms too close: (T0339)V193.CA and (T0339)F310.CA only 0.000 apart, marking (T0339)F310.CA as missing WARNING: atoms too close: (T0339)R192.CA and (T0339)F310.CA only 0.000 apart, marking (T0339)F310.CA as missing WARNING: atoms too close: (T0339)E191.CA and (T0339)F310.CA only 0.000 apart, marking (T0339)F310.CA as missing WARNING: atoms too close: (T0339)Q190.CA and (T0339)F310.CA only 0.000 apart, marking (T0339)F310.CA as missing WARNING: atoms too close: (T0339)P139.CA and (T0339)F310.CA only 0.000 apart, marking (T0339)F310.CA as missing WARNING: atoms too close: (T0339)V128.CA and (T0339)F310.CA only 0.000 apart, marking (T0339)F310.CA as missing WARNING: atoms too close: (T0339)G105.CA and (T0339)F310.CA only 0.000 apart, marking (T0339)F310.CA as missing WARNING: atoms too close: (T0339)K104.CA and (T0339)F310.CA only 0.000 apart, marking (T0339)F310.CA as missing WARNING: atoms too close: (T0339)V103.CA and (T0339)F310.CA only 0.000 apart, marking (T0339)F310.CA as missing WARNING: atoms too close: (T0339)P102.CA and (T0339)F310.CA only 0.000 apart, marking (T0339)F310.CA as missing WARNING: atoms too close: (T0339)S101.CA and (T0339)F310.CA only 0.000 apart, marking (T0339)F310.CA as missing WARNING: atoms too close: (T0339)H100.CA and (T0339)F310.CA only 0.000 apart, marking (T0339)F310.CA as missing WARNING: atoms too close: (T0339)H99.CA and (T0339)F310.CA only 0.000 apart, marking (T0339)F310.CA as missing WARNING: atoms too close: (T0339)G98.CA and (T0339)F310.CA only 0.000 apart, marking (T0339)F310.CA as missing WARNING: atoms too close: (T0339)G97.CA and (T0339)F310.CA only 0.000 apart, marking (T0339)F310.CA as missing WARNING: atoms too close: (T0339)T96.CA and (T0339)F310.CA only 0.000 apart, marking (T0339)F310.CA as missing WARNING: atoms too close: (T0339)H95.CA and (T0339)F310.CA only 0.000 apart, marking (T0339)F310.CA as missing WARNING: atoms too close: (T0339)G94.CA and (T0339)F310.CA only 0.000 apart, marking (T0339)F310.CA as missing WARNING: atoms too close: (T0339)K93.CA and (T0339)F310.CA only 0.000 apart, marking (T0339)F310.CA as missing WARNING: atoms too close: (T0339)S92.CA and (T0339)F310.CA only 0.000 apart, marking (T0339)F310.CA as missing WARNING: atoms too close: (T0339)T91.CA and (T0339)F310.CA only 0.000 apart, marking (T0339)F310.CA as missing WARNING: atoms too close: (T0339)Q90.CA and (T0339)F310.CA only 0.000 apart, marking (T0339)F310.CA as missing WARNING: atoms too close: (T0339)N89.CA and (T0339)F310.CA only 0.000 apart, marking (T0339)F310.CA as missing WARNING: atoms too close: (T0339)E309.CB and (T0339)F310.CB only 0.000 apart, marking (T0339)F310.CB as missing WARNING: atoms too close: (T0339)A308.CB and (T0339)F310.CB only 0.000 apart, marking (T0339)F310.CB as missing WARNING: atoms too close: (T0339)P250.CB and (T0339)F310.CB only 0.000 apart, marking (T0339)F310.CB as missing WARNING: atoms too close: (T0339)P199.CB and (T0339)F310.CB only 0.000 apart, marking (T0339)F310.CB as missing WARNING: atoms too close: (T0339)P198.CB and (T0339)F310.CB only 0.000 apart, marking (T0339)F310.CB as missing WARNING: atoms too close: (T0339)L197.CB and (T0339)F310.CB only 0.000 apart, marking (T0339)F310.CB as missing WARNING: atoms too close: (T0339)A195.CB and (T0339)F310.CB only 0.000 apart, marking (T0339)F310.CB as missing WARNING: atoms too close: (T0339)A194.CB and (T0339)F310.CB only 0.000 apart, marking (T0339)F310.CB as missing WARNING: atoms too close: (T0339)V193.CB and (T0339)F310.CB only 0.000 apart, marking (T0339)F310.CB as missing WARNING: atoms too close: (T0339)R192.CB and (T0339)F310.CB only 0.000 apart, marking (T0339)F310.CB as missing WARNING: atoms too close: (T0339)E191.CB and (T0339)F310.CB only 0.000 apart, marking (T0339)F310.CB as missing WARNING: atoms too close: (T0339)Q190.CB and (T0339)F310.CB only 0.000 apart, marking (T0339)F310.CB as missing WARNING: atoms too close: (T0339)P139.CB and (T0339)F310.CB only 0.000 apart, marking (T0339)F310.CB as missing WARNING: atoms too close: (T0339)V128.CB and (T0339)F310.CB only 0.000 apart, marking (T0339)F310.CB as missing WARNING: atoms too close: (T0339)K104.CB and (T0339)F310.CB only 0.000 apart, marking (T0339)F310.CB as missing WARNING: atoms too close: (T0339)V103.CB and (T0339)F310.CB only 0.000 apart, marking (T0339)F310.CB as missing WARNING: atoms too close: (T0339)P102.CB and (T0339)F310.CB only 0.000 apart, marking (T0339)F310.CB as missing WARNING: atoms too close: (T0339)S101.CB and (T0339)F310.CB only 0.000 apart, marking (T0339)F310.CB as missing WARNING: atoms too close: (T0339)H100.CB and (T0339)F310.CB only 0.000 apart, marking (T0339)F310.CB as missing WARNING: atoms too close: (T0339)H99.CB and (T0339)F310.CB only 0.000 apart, marking (T0339)F310.CB as missing WARNING: atoms too close: (T0339)T96.CB and (T0339)F310.CB only 0.000 apart, marking (T0339)F310.CB as missing WARNING: atoms too close: (T0339)H95.CB and (T0339)F310.CB only 0.000 apart, marking (T0339)F310.CB as missing WARNING: atoms too close: (T0339)K93.CB and (T0339)F310.CB only 0.000 apart, marking (T0339)F310.CB as missing WARNING: atoms too close: (T0339)S92.CB and (T0339)F310.CB only 0.000 apart, marking (T0339)F310.CB as missing WARNING: atoms too close: (T0339)T91.CB and (T0339)F310.CB only 0.000 apart, marking (T0339)F310.CB as missing WARNING: atoms too close: (T0339)Q90.CB and (T0339)F310.CB only 0.000 apart, marking (T0339)F310.CB as missing WARNING: atoms too close: (T0339)N89.CB and (T0339)F310.CB only 0.000 apart, marking (T0339)F310.CB as missing WARNING: atoms too close: (T0339)E309.O and (T0339)F310.O only 0.000 apart, marking (T0339)F310.O as missing WARNING: atoms too close: (T0339)A308.O and (T0339)F310.O only 0.000 apart, marking (T0339)F310.O as missing WARNING: atoms too close: (T0339)P250.O and (T0339)F310.O only 0.000 apart, marking (T0339)F310.O as missing WARNING: atoms too close: (T0339)P199.O and (T0339)F310.O only 0.000 apart, marking (T0339)F310.O as missing WARNING: atoms too close: (T0339)P198.O and (T0339)F310.O only 0.000 apart, marking (T0339)F310.O as missing WARNING: atoms too close: (T0339)L197.O and (T0339)F310.O only 0.000 apart, marking (T0339)F310.O as missing WARNING: atoms too close: (T0339)G196.O and (T0339)F310.O only 0.000 apart, marking (T0339)F310.O as missing WARNING: atoms too close: (T0339)A195.O and (T0339)F310.O only 0.000 apart, marking (T0339)F310.O as missing WARNING: atoms too close: (T0339)A194.O and (T0339)F310.O only 0.000 apart, marking (T0339)F310.O as missing WARNING: atoms too close: (T0339)V193.O and (T0339)F310.O only 0.000 apart, marking (T0339)F310.O as missing WARNING: atoms too close: (T0339)R192.O and (T0339)F310.O only 0.000 apart, marking (T0339)F310.O as missing WARNING: atoms too close: (T0339)E191.O and (T0339)F310.O only 0.000 apart, marking (T0339)F310.O as missing WARNING: atoms too close: (T0339)Q190.O and (T0339)F310.O only 0.000 apart, marking (T0339)F310.O as missing WARNING: atoms too close: (T0339)P139.O and (T0339)F310.O only 0.000 apart, marking (T0339)F310.O as missing WARNING: atoms too close: (T0339)V128.O and (T0339)F310.O only 0.000 apart, marking (T0339)F310.O as missing WARNING: atoms too close: (T0339)G105.O and (T0339)F310.O only 0.000 apart, marking (T0339)F310.O as missing WARNING: atoms too close: (T0339)K104.O and (T0339)F310.O only 0.000 apart, marking (T0339)F310.O as missing WARNING: atoms too close: (T0339)V103.O and (T0339)F310.O only 0.000 apart, marking (T0339)F310.O as missing WARNING: atoms too close: (T0339)P102.O and (T0339)F310.O only 0.000 apart, marking (T0339)F310.O as missing WARNING: atoms too close: (T0339)S101.O and (T0339)F310.O only 0.000 apart, marking (T0339)F310.O as missing WARNING: atoms too close: (T0339)H100.O and (T0339)F310.O only 0.000 apart, marking (T0339)F310.O as missing WARNING: atoms too close: (T0339)H99.O and (T0339)F310.O only 0.000 apart, marking (T0339)F310.O as missing WARNING: atoms too close: (T0339)G98.O and (T0339)F310.O only 0.000 apart, marking (T0339)F310.O as missing WARNING: atoms too close: (T0339)G97.O and (T0339)F310.O only 0.000 apart, marking (T0339)F310.O as missing WARNING: atoms too close: (T0339)T96.O and (T0339)F310.O only 0.000 apart, marking (T0339)F310.O as missing WARNING: atoms too close: (T0339)H95.O and (T0339)F310.O only 0.000 apart, marking (T0339)F310.O as missing WARNING: atoms too close: (T0339)G94.O and (T0339)F310.O only 0.000 apart, marking (T0339)F310.O as missing WARNING: atoms too close: (T0339)K93.O and (T0339)F310.O only 0.000 apart, marking (T0339)F310.O as missing WARNING: atoms too close: (T0339)S92.O and (T0339)F310.O only 0.000 apart, marking (T0339)F310.O as missing WARNING: atoms too close: (T0339)T91.O and (T0339)F310.O only 0.000 apart, marking (T0339)F310.O as missing WARNING: atoms too close: (T0339)Q90.O and (T0339)F310.O only 0.000 apart, marking (T0339)F310.O as missing WARNING: atoms too close: (T0339)N89.O and (T0339)F310.O only 0.000 apart, marking (T0339)F310.O as missing WARNING: atoms too close: (T0339)E309.C and (T0339)F310.C only 0.000 apart, marking (T0339)F310.C as missing WARNING: atoms too close: (T0339)A308.C and (T0339)F310.C only 0.000 apart, marking (T0339)F310.C as missing WARNING: atoms too close: (T0339)P250.C and (T0339)F310.C only 0.000 apart, marking (T0339)F310.C as missing WARNING: atoms too close: (T0339)P199.C and (T0339)F310.C only 0.000 apart, marking (T0339)F310.C as missing WARNING: atoms too close: (T0339)P198.C and (T0339)F310.C only 0.000 apart, marking (T0339)F310.C as missing WARNING: atoms too close: (T0339)L197.C and (T0339)F310.C only 0.000 apart, marking (T0339)F310.C as missing WARNING: atoms too close: (T0339)G196.C and (T0339)F310.C only 0.000 apart, marking (T0339)F310.C as missing WARNING: atoms too close: (T0339)A195.C and (T0339)F310.C only 0.000 apart, marking (T0339)F310.C as missing WARNING: atoms too close: (T0339)A194.C and (T0339)F310.C only 0.000 apart, marking (T0339)F310.C as missing WARNING: atoms too close: (T0339)V193.C and (T0339)F310.C only 0.000 apart, marking (T0339)F310.C as missing WARNING: atoms too close: (T0339)R192.C and (T0339)F310.C only 0.000 apart, marking (T0339)F310.C as missing WARNING: atoms too close: (T0339)E191.C and (T0339)F310.C only 0.000 apart, marking (T0339)F310.C as missing WARNING: atoms too close: (T0339)Q190.C and (T0339)F310.C only 0.000 apart, marking (T0339)F310.C as missing WARNING: atoms too close: (T0339)P139.C and (T0339)F310.C only 0.000 apart, marking (T0339)F310.C as missing WARNING: atoms too close: (T0339)V128.C and (T0339)F310.C only 0.000 apart, marking (T0339)F310.C as missing WARNING: atoms too close: (T0339)G105.C and (T0339)F310.C only 0.000 apart, marking (T0339)F310.C as missing WARNING: atoms too close: (T0339)K104.C and (T0339)F310.C only 0.000 apart, marking (T0339)F310.C as missing WARNING: atoms too close: (T0339)V103.C and (T0339)F310.C only 0.000 apart, marking (T0339)F310.C as missing WARNING: atoms too close: (T0339)P102.C and (T0339)F310.C only 0.000 apart, marking (T0339)F310.C as missing WARNING: atoms too close: (T0339)S101.C and (T0339)F310.C only 0.000 apart, marking (T0339)F310.C as missing WARNING: atoms too close: (T0339)H100.C and (T0339)F310.C only 0.000 apart, marking (T0339)F310.C as missing WARNING: atoms too close: (T0339)H99.C and (T0339)F310.C only 0.000 apart, marking (T0339)F310.C as missing WARNING: atoms too close: (T0339)G98.C and (T0339)F310.C only 0.000 apart, marking (T0339)F310.C as missing WARNING: atoms too close: (T0339)G97.C and (T0339)F310.C only 0.000 apart, marking (T0339)F310.C as missing WARNING: atoms too close: (T0339)T96.C and (T0339)F310.C only 0.000 apart, marking (T0339)F310.C as missing WARNING: atoms too close: (T0339)H95.C and (T0339)F310.C only 0.000 apart, marking (T0339)F310.C as missing WARNING: atoms too close: (T0339)G94.C and (T0339)F310.C only 0.000 apart, marking (T0339)F310.C as missing WARNING: atoms too close: (T0339)K93.C and (T0339)F310.C only 0.000 apart, marking (T0339)F310.C as missing WARNING: atoms too close: (T0339)S92.C and (T0339)F310.C only 0.000 apart, marking (T0339)F310.C as missing WARNING: atoms too close: (T0339)T91.C and (T0339)F310.C only 0.000 apart, marking (T0339)F310.C as missing WARNING: atoms too close: (T0339)Q90.C and (T0339)F310.C only 0.000 apart, marking (T0339)F310.C as missing WARNING: atoms too close: (T0339)N89.C and (T0339)F310.C only 0.000 apart, marking (T0339)F310.C as missing WARNING: atoms too close: (T0339)F310.N and (T0339)P322.N only 0.000 apart, marking (T0339)F310.N as missing WARNING: atoms too close: (T0339)E309.N and (T0339)P322.N only 0.000 apart, marking (T0339)E309.N as missing WARNING: atoms too close: (T0339)A308.N and (T0339)P322.N only 0.000 apart, marking (T0339)A308.N as missing WARNING: atoms too close: (T0339)P250.N and (T0339)P322.N only 0.000 apart, marking (T0339)P250.N as missing WARNING: atoms too close: (T0339)P199.N and (T0339)P322.N only 0.000 apart, marking (T0339)P199.N as missing WARNING: atoms too close: (T0339)P198.N and (T0339)P322.N only 0.000 apart, marking (T0339)P198.N as missing WARNING: atoms too close: (T0339)L197.N and (T0339)P322.N only 0.000 apart, marking (T0339)L197.N as missing WARNING: atoms too close: (T0339)G196.N and (T0339)P322.N only 0.000 apart, marking (T0339)G196.N as missing WARNING: atoms too close: (T0339)A195.N and (T0339)P322.N only 0.000 apart, marking (T0339)A195.N as missing WARNING: atoms too close: (T0339)A194.N and (T0339)P322.N only 0.000 apart, marking (T0339)A194.N as missing WARNING: atoms too close: (T0339)V193.N and (T0339)P322.N only 0.000 apart, marking (T0339)V193.N as missing WARNING: atoms too close: (T0339)R192.N and (T0339)P322.N only 0.000 apart, marking (T0339)R192.N as missing WARNING: atoms too close: (T0339)E191.N and (T0339)P322.N only 0.000 apart, marking (T0339)E191.N as missing WARNING: atoms too close: (T0339)Q190.N and (T0339)P322.N only 0.000 apart, marking (T0339)Q190.N as missing WARNING: atoms too close: (T0339)P139.N and (T0339)P322.N only 0.000 apart, marking (T0339)P139.N as missing WARNING: atoms too close: (T0339)V128.N and (T0339)P322.N only 0.000 apart, marking (T0339)V128.N as missing WARNING: atoms too close: (T0339)G105.N and (T0339)P322.N only 0.000 apart, marking (T0339)G105.N as missing WARNING: atoms too close: (T0339)K104.N and (T0339)P322.N only 0.000 apart, marking (T0339)K104.N as missing WARNING: atoms too close: (T0339)V103.N and (T0339)P322.N only 0.000 apart, marking (T0339)V103.N as missing WARNING: atoms too close: (T0339)P102.N and (T0339)P322.N only 0.000 apart, marking (T0339)P102.N as missing WARNING: atoms too close: (T0339)S101.N and (T0339)P322.N only 0.000 apart, marking (T0339)S101.N as missing WARNING: atoms too close: (T0339)H100.N and (T0339)P322.N only 0.000 apart, marking (T0339)H100.N as missing WARNING: atoms too close: (T0339)H99.N and (T0339)P322.N only 0.000 apart, marking (T0339)H99.N as missing WARNING: atoms too close: (T0339)G98.N and (T0339)P322.N only 0.000 apart, marking (T0339)G98.N as missing WARNING: atoms too close: (T0339)G97.N and (T0339)P322.N only 0.000 apart, marking (T0339)G97.N as missing WARNING: atoms too close: (T0339)T96.N and (T0339)P322.N only 0.000 apart, marking (T0339)T96.N as missing WARNING: atoms too close: (T0339)H95.N and (T0339)P322.N only 0.000 apart, marking (T0339)H95.N as missing WARNING: atoms too close: (T0339)G94.N and (T0339)P322.N only 0.000 apart, marking (T0339)G94.N as missing WARNING: atoms too close: (T0339)K93.N and (T0339)P322.N only 0.000 apart, marking (T0339)K93.N as missing WARNING: atoms too close: (T0339)S92.N and (T0339)P322.N only 0.000 apart, marking (T0339)S92.N as missing WARNING: atoms too close: (T0339)T91.N and (T0339)P322.N only 0.000 apart, marking (T0339)T91.N as missing WARNING: atoms too close: (T0339)Q90.N and (T0339)P322.N only 0.000 apart, marking (T0339)Q90.N as missing WARNING: atoms too close: (T0339)N89.N and (T0339)P322.N only 0.000 apart, marking (T0339)P322.N as missing WARNING: atoms too close: (T0339)F310.CA and (T0339)P322.CA only 0.000 apart, marking (T0339)P322.CA as missing WARNING: atoms too close: (T0339)E309.CA and (T0339)P322.CA only 0.000 apart, marking (T0339)P322.CA as missing WARNING: atoms too close: (T0339)A308.CA and (T0339)P322.CA only 0.000 apart, marking (T0339)P322.CA as missing WARNING: atoms too close: (T0339)P250.CA and (T0339)P322.CA only 0.000 apart, marking (T0339)P322.CA as missing WARNING: atoms too close: (T0339)P199.CA and (T0339)P322.CA only 0.000 apart, marking (T0339)P322.CA as missing WARNING: atoms too close: (T0339)P198.CA and (T0339)P322.CA only 0.000 apart, marking (T0339)P322.CA as missing WARNING: atoms too close: (T0339)L197.CA and (T0339)P322.CA only 0.000 apart, marking (T0339)P322.CA as missing WARNING: atoms too close: (T0339)G196.CA and (T0339)P322.CA only 0.000 apart, marking (T0339)P322.CA as missing WARNING: atoms too close: (T0339)A195.CA and (T0339)P322.CA only 0.000 apart, marking (T0339)P322.CA as missing WARNING: atoms too close: (T0339)A194.CA and (T0339)P322.CA only 0.000 apart, marking (T0339)P322.CA as missing WARNING: atoms too close: (T0339)V193.CA and (T0339)P322.CA only 0.000 apart, marking (T0339)P322.CA as missing WARNING: atoms too close: (T0339)R192.CA and (T0339)P322.CA only 0.000 apart, marking (T0339)P322.CA as missing WARNING: atoms too close: (T0339)E191.CA and (T0339)P322.CA only 0.000 apart, marking (T0339)P322.CA as missing WARNING: atoms too close: (T0339)Q190.CA and (T0339)P322.CA only 0.000 apart, marking (T0339)P322.CA as missing WARNING: atoms too close: (T0339)P139.CA and (T0339)P322.CA only 0.000 apart, marking (T0339)P322.CA as missing WARNING: atoms too close: (T0339)V128.CA and (T0339)P322.CA only 0.000 apart, marking (T0339)P322.CA as missing WARNING: atoms too close: (T0339)G105.CA and (T0339)P322.CA only 0.000 apart, marking (T0339)P322.CA as missing WARNING: atoms too close: (T0339)K104.CA and (T0339)P322.CA only 0.000 apart, marking (T0339)P322.CA as missing WARNING: atoms too close: (T0339)V103.CA and (T0339)P322.CA only 0.000 apart, marking (T0339)P322.CA as missing WARNING: atoms too close: (T0339)P102.CA and (T0339)P322.CA only 0.000 apart, marking (T0339)P322.CA as missing WARNING: atoms too close: (T0339)S101.CA and (T0339)P322.CA only 0.000 apart, marking (T0339)P322.CA as missing WARNING: atoms too close: (T0339)H100.CA and (T0339)P322.CA only 0.000 apart, marking (T0339)P322.CA as missing WARNING: atoms too close: (T0339)H99.CA and (T0339)P322.CA only 0.000 apart, marking (T0339)P322.CA as missing WARNING: atoms too close: (T0339)G98.CA and (T0339)P322.CA only 0.000 apart, marking (T0339)P322.CA as missing WARNING: atoms too close: (T0339)G97.CA and (T0339)P322.CA only 0.000 apart, marking (T0339)P322.CA as missing WARNING: atoms too close: (T0339)T96.CA and (T0339)P322.CA only 0.000 apart, marking (T0339)P322.CA as missing WARNING: atoms too close: (T0339)H95.CA and (T0339)P322.CA only 0.000 apart, marking (T0339)P322.CA as missing WARNING: atoms too close: (T0339)G94.CA and (T0339)P322.CA only 0.000 apart, marking (T0339)P322.CA as missing WARNING: atoms too close: (T0339)K93.CA and (T0339)P322.CA only 0.000 apart, marking (T0339)P322.CA as missing WARNING: atoms too close: (T0339)S92.CA and (T0339)P322.CA only 0.000 apart, marking (T0339)P322.CA as missing WARNING: atoms too close: (T0339)T91.CA and (T0339)P322.CA only 0.000 apart, marking (T0339)P322.CA as missing WARNING: atoms too close: (T0339)Q90.CA and (T0339)P322.CA only 0.000 apart, marking (T0339)P322.CA as missing WARNING: atoms too close: (T0339)N89.CA and (T0339)P322.CA only 0.000 apart, marking (T0339)P322.CA as missing WARNING: atoms too close: (T0339)F310.CB and (T0339)P322.CB only 0.000 apart, marking (T0339)P322.CB as missing WARNING: atoms too close: (T0339)E309.CB and (T0339)P322.CB only 0.000 apart, marking (T0339)P322.CB as missing WARNING: atoms too close: (T0339)A308.CB and (T0339)P322.CB only 0.000 apart, marking (T0339)P322.CB as missing WARNING: atoms too close: (T0339)P250.CB and (T0339)P322.CB only 0.000 apart, marking (T0339)P322.CB as missing WARNING: atoms too close: (T0339)P199.CB and (T0339)P322.CB only 0.000 apart, marking (T0339)P322.CB as missing WARNING: atoms too close: (T0339)P198.CB and (T0339)P322.CB only 0.000 apart, marking (T0339)P322.CB as missing WARNING: atoms too close: (T0339)L197.CB and (T0339)P322.CB only 0.000 apart, marking (T0339)P322.CB as missing WARNING: atoms too close: (T0339)A195.CB and (T0339)P322.CB only 0.000 apart, marking (T0339)P322.CB as missing WARNING: atoms too close: (T0339)A194.CB and (T0339)P322.CB only 0.000 apart, marking (T0339)P322.CB as missing WARNING: atoms too close: (T0339)V193.CB and (T0339)P322.CB only 0.000 apart, marking (T0339)P322.CB as missing WARNING: atoms too close: (T0339)R192.CB and (T0339)P322.CB only 0.000 apart, marking (T0339)P322.CB as missing WARNING: atoms too close: (T0339)E191.CB and (T0339)P322.CB only 0.000 apart, marking (T0339)P322.CB as missing WARNING: atoms too close: (T0339)Q190.CB and (T0339)P322.CB only 0.000 apart, marking (T0339)P322.CB as missing WARNING: atoms too close: (T0339)P139.CB and (T0339)P322.CB only 0.000 apart, marking (T0339)P322.CB as missing WARNING: atoms too close: (T0339)V128.CB and (T0339)P322.CB only 0.000 apart, marking (T0339)P322.CB as missing WARNING: atoms too close: (T0339)K104.CB and (T0339)P322.CB only 0.000 apart, marking (T0339)P322.CB as missing WARNING: atoms too close: (T0339)V103.CB and (T0339)P322.CB only 0.000 apart, marking (T0339)P322.CB as missing WARNING: atoms too close: (T0339)P102.CB and (T0339)P322.CB only 0.000 apart, marking (T0339)P322.CB as missing WARNING: atoms too close: (T0339)S101.CB and (T0339)P322.CB only 0.000 apart, marking (T0339)P322.CB as missing WARNING: atoms too close: (T0339)H100.CB and (T0339)P322.CB only 0.000 apart, marking (T0339)P322.CB as missing WARNING: atoms too close: (T0339)H99.CB and (T0339)P322.CB only 0.000 apart, marking (T0339)P322.CB as missing WARNING: atoms too close: (T0339)T96.CB and (T0339)P322.CB only 0.000 apart, marking (T0339)P322.CB as missing WARNING: atoms too close: (T0339)H95.CB and (T0339)P322.CB only 0.000 apart, marking (T0339)P322.CB as missing WARNING: atoms too close: (T0339)K93.CB and (T0339)P322.CB only 0.000 apart, marking (T0339)P322.CB as missing WARNING: atoms too close: (T0339)S92.CB and (T0339)P322.CB only 0.000 apart, marking (T0339)P322.CB as missing WARNING: atoms too close: (T0339)T91.CB and (T0339)P322.CB only 0.000 apart, marking (T0339)P322.CB as missing WARNING: atoms too close: (T0339)Q90.CB and (T0339)P322.CB only 0.000 apart, marking (T0339)P322.CB as missing WARNING: atoms too close: (T0339)N89.CB and (T0339)P322.CB only 0.000 apart, marking (T0339)P322.CB as missing WARNING: atoms too close: (T0339)F310.O and (T0339)P322.O only 0.000 apart, marking (T0339)P322.O as missing WARNING: atoms too close: (T0339)E309.O and (T0339)P322.O only 0.000 apart, marking (T0339)P322.O as missing WARNING: atoms too close: (T0339)A308.O and (T0339)P322.O only 0.000 apart, marking (T0339)P322.O as missing WARNING: atoms too close: (T0339)P250.O and (T0339)P322.O only 0.000 apart, marking (T0339)P322.O as missing WARNING: atoms too close: (T0339)P199.O and (T0339)P322.O only 0.000 apart, marking (T0339)P322.O as missing WARNING: atoms too close: (T0339)P198.O and (T0339)P322.O only 0.000 apart, marking (T0339)P322.O as missing WARNING: atoms too close: (T0339)L197.O and (T0339)P322.O only 0.000 apart, marking (T0339)P322.O as missing WARNING: atoms too close: (T0339)G196.O and (T0339)P322.O only 0.000 apart, marking (T0339)P322.O as missing WARNING: atoms too close: (T0339)A195.O and (T0339)P322.O only 0.000 apart, marking (T0339)P322.O as missing WARNING: atoms too close: (T0339)A194.O and (T0339)P322.O only 0.000 apart, marking (T0339)P322.O as missing WARNING: atoms too close: (T0339)V193.O and (T0339)P322.O only 0.000 apart, marking (T0339)P322.O as missing WARNING: atoms too close: (T0339)R192.O and (T0339)P322.O only 0.000 apart, marking (T0339)P322.O as missing WARNING: atoms too close: (T0339)E191.O and (T0339)P322.O only 0.000 apart, marking (T0339)P322.O as missing WARNING: atoms too close: (T0339)Q190.O and (T0339)P322.O only 0.000 apart, marking (T0339)P322.O as missing WARNING: atoms too close: (T0339)P139.O and (T0339)P322.O only 0.000 apart, marking (T0339)P322.O as missing WARNING: atoms too close: (T0339)V128.O and (T0339)P322.O only 0.000 apart, marking (T0339)P322.O as missing WARNING: atoms too close: (T0339)G105.O and (T0339)P322.O only 0.000 apart, marking (T0339)P322.O as missing WARNING: atoms too close: (T0339)K104.O and (T0339)P322.O only 0.000 apart, marking (T0339)P322.O as missing WARNING: atoms too close: (T0339)V103.O and (T0339)P322.O only 0.000 apart, marking (T0339)P322.O as missing WARNING: atoms too close: (T0339)P102.O and (T0339)P322.O only 0.000 apart, marking (T0339)P322.O as missing WARNING: atoms too close: (T0339)S101.O and (T0339)P322.O only 0.000 apart, marking (T0339)P322.O as missing WARNING: atoms too close: (T0339)H100.O and (T0339)P322.O only 0.000 apart, marking (T0339)P322.O as missing WARNING: atoms too close: (T0339)H99.O and (T0339)P322.O only 0.000 apart, marking (T0339)P322.O as missing WARNING: atoms too close: (T0339)G98.O and (T0339)P322.O only 0.000 apart, marking (T0339)P322.O as missing WARNING: atoms too close: (T0339)G97.O and (T0339)P322.O only 0.000 apart, marking (T0339)P322.O as missing WARNING: atoms too close: (T0339)T96.O and (T0339)P322.O only 0.000 apart, marking (T0339)P322.O as missing WARNING: atoms too close: (T0339)H95.O and (T0339)P322.O only 0.000 apart, marking (T0339)P322.O as missing WARNING: atoms too close: (T0339)G94.O and (T0339)P322.O only 0.000 apart, marking (T0339)P322.O as missing WARNING: atoms too close: (T0339)K93.O and (T0339)P322.O only 0.000 apart, marking (T0339)P322.O as missing WARNING: atoms too close: (T0339)S92.O and (T0339)P322.O only 0.000 apart, marking (T0339)P322.O as missing WARNING: atoms too close: (T0339)T91.O and (T0339)P322.O only 0.000 apart, marking (T0339)P322.O as missing WARNING: atoms too close: (T0339)Q90.O and (T0339)P322.O only 0.000 apart, marking (T0339)P322.O as missing WARNING: atoms too close: (T0339)N89.O and (T0339)P322.O only 0.000 apart, marking (T0339)P322.O as missing WARNING: atoms too close: (T0339)F310.C and (T0339)P322.C only 0.000 apart, marking (T0339)P322.C as missing WARNING: atoms too close: (T0339)E309.C and (T0339)P322.C only 0.000 apart, marking (T0339)P322.C as missing WARNING: atoms too close: (T0339)A308.C and (T0339)P322.C only 0.000 apart, marking (T0339)P322.C as missing WARNING: atoms too close: (T0339)P250.C and (T0339)P322.C only 0.000 apart, marking (T0339)P322.C as missing WARNING: atoms too close: (T0339)P199.C and (T0339)P322.C only 0.000 apart, marking (T0339)P322.C as missing WARNING: atoms too close: (T0339)P198.C and (T0339)P322.C only 0.000 apart, marking (T0339)P322.C as missing WARNING: atoms too close: (T0339)L197.C and (T0339)P322.C only 0.000 apart, marking (T0339)P322.C as missing WARNING: atoms too close: (T0339)G196.C and (T0339)P322.C only 0.000 apart, marking (T0339)P322.C as missing WARNING: atoms too close: (T0339)A195.C and (T0339)P322.C only 0.000 apart, marking (T0339)P322.C as missing WARNING: atoms too close: (T0339)A194.C and (T0339)P322.C only 0.000 apart, marking (T0339)P322.C as missing WARNING: atoms too close: (T0339)V193.C and (T0339)P322.C only 0.000 apart, marking (T0339)P322.C as missing WARNING: atoms too close: (T0339)R192.C and (T0339)P322.C only 0.000 apart, marking (T0339)P322.C as missing WARNING: atoms too close: (T0339)E191.C and (T0339)P322.C only 0.000 apart, marking (T0339)P322.C as missing WARNING: atoms too close: (T0339)Q190.C and (T0339)P322.C only 0.000 apart, marking (T0339)P322.C as missing WARNING: atoms too close: (T0339)P139.C and (T0339)P322.C only 0.000 apart, marking (T0339)P322.C as missing WARNING: atoms too close: (T0339)V128.C and (T0339)P322.C only 0.000 apart, marking (T0339)P322.C as missing WARNING: atoms too close: (T0339)G105.C and (T0339)P322.C only 0.000 apart, marking (T0339)P322.C as missing WARNING: atoms too close: (T0339)K104.C and (T0339)P322.C only 0.000 apart, marking (T0339)P322.C as missing WARNING: atoms too close: (T0339)V103.C and (T0339)P322.C only 0.000 apart, marking (T0339)P322.C as missing WARNING: atoms too close: (T0339)P102.C and (T0339)P322.C only 0.000 apart, marking (T0339)P322.C as missing WARNING: atoms too close: (T0339)S101.C and (T0339)P322.C only 0.000 apart, marking (T0339)P322.C as missing WARNING: atoms too close: (T0339)H100.C and (T0339)P322.C only 0.000 apart, marking (T0339)P322.C as missing WARNING: atoms too close: (T0339)H99.C and (T0339)P322.C only 0.000 apart, marking (T0339)P322.C as missing WARNING: atoms too close: (T0339)G98.C and (T0339)P322.C only 0.000 apart, marking (T0339)P322.C as missing WARNING: atoms too close: (T0339)G97.C and (T0339)P322.C only 0.000 apart, marking (T0339)P322.C as missing WARNING: atoms too close: (T0339)T96.C and (T0339)P322.C only 0.000 apart, marking (T0339)P322.C as missing WARNING: atoms too close: (T0339)H95.C and (T0339)P322.C only 0.000 apart, marking (T0339)P322.C as missing WARNING: atoms too close: (T0339)G94.C and (T0339)P322.C only 0.000 apart, marking (T0339)P322.C as missing WARNING: atoms too close: (T0339)K93.C and (T0339)P322.C only 0.000 apart, marking (T0339)P322.C as missing WARNING: atoms too close: (T0339)S92.C and (T0339)P322.C only 0.000 apart, marking (T0339)P322.C as missing WARNING: atoms too close: (T0339)T91.C and (T0339)P322.C only 0.000 apart, marking (T0339)P322.C as missing WARNING: atoms too close: (T0339)Q90.C and (T0339)P322.C only 0.000 apart, marking (T0339)P322.C as missing WARNING: atoms too close: (T0339)N89.C and (T0339)P322.C only 0.000 apart, marking (T0339)P322.C as missing WARNING: atoms too close: (T0339)P322.N and (T0339)G323.N only 0.000 apart, marking (T0339)P322.N as missing WARNING: atoms too close: (T0339)F310.N and (T0339)G323.N only 0.000 apart, marking (T0339)F310.N as missing WARNING: atoms too close: (T0339)E309.N and (T0339)G323.N only 0.000 apart, marking (T0339)E309.N as missing WARNING: atoms too close: (T0339)A308.N and (T0339)G323.N only 0.000 apart, marking (T0339)A308.N as missing WARNING: atoms too close: (T0339)P250.N and (T0339)G323.N only 0.000 apart, marking (T0339)P250.N as missing WARNING: atoms too close: (T0339)P199.N and (T0339)G323.N only 0.000 apart, marking (T0339)P199.N as missing WARNING: atoms too close: (T0339)P198.N and (T0339)G323.N only 0.000 apart, marking (T0339)P198.N as missing WARNING: atoms too close: (T0339)L197.N and (T0339)G323.N only 0.000 apart, marking (T0339)L197.N as missing WARNING: atoms too close: (T0339)G196.N and (T0339)G323.N only 0.000 apart, marking (T0339)G196.N as missing WARNING: atoms too close: (T0339)A195.N and (T0339)G323.N only 0.000 apart, marking (T0339)A195.N as missing WARNING: atoms too close: (T0339)A194.N and (T0339)G323.N only 0.000 apart, marking (T0339)A194.N as missing WARNING: atoms too close: (T0339)V193.N and (T0339)G323.N only 0.000 apart, marking (T0339)V193.N as missing WARNING: atoms too close: (T0339)R192.N and (T0339)G323.N only 0.000 apart, marking (T0339)R192.N as missing WARNING: atoms too close: (T0339)E191.N and (T0339)G323.N only 0.000 apart, marking (T0339)E191.N as missing WARNING: atoms too close: (T0339)Q190.N and (T0339)G323.N only 0.000 apart, marking (T0339)Q190.N as missing WARNING: atoms too close: (T0339)P139.N and (T0339)G323.N only 0.000 apart, marking (T0339)P139.N as missing WARNING: atoms too close: (T0339)V128.N and (T0339)G323.N only 0.000 apart, marking (T0339)V128.N as missing WARNING: atoms too close: (T0339)G105.N and (T0339)G323.N only 0.000 apart, marking (T0339)G105.N as missing WARNING: atoms too close: (T0339)K104.N and (T0339)G323.N only 0.000 apart, marking (T0339)K104.N as missing WARNING: atoms too close: (T0339)V103.N and (T0339)G323.N only 0.000 apart, marking (T0339)V103.N as missing WARNING: atoms too close: (T0339)P102.N and (T0339)G323.N only 0.000 apart, marking (T0339)P102.N as missing WARNING: atoms too close: (T0339)S101.N and (T0339)G323.N only 0.000 apart, marking (T0339)S101.N as missing WARNING: atoms too close: (T0339)H100.N and (T0339)G323.N only 0.000 apart, marking (T0339)H100.N as missing WARNING: atoms too close: (T0339)H99.N and (T0339)G323.N only 0.000 apart, marking (T0339)H99.N as missing WARNING: atoms too close: (T0339)G98.N and (T0339)G323.N only 0.000 apart, marking (T0339)G98.N as missing WARNING: atoms too close: (T0339)G97.N and (T0339)G323.N only 0.000 apart, marking (T0339)G97.N as missing WARNING: atoms too close: (T0339)T96.N and (T0339)G323.N only 0.000 apart, marking (T0339)T96.N as missing WARNING: atoms too close: (T0339)H95.N and (T0339)G323.N only 0.000 apart, marking (T0339)H95.N as missing WARNING: atoms too close: (T0339)G94.N and (T0339)G323.N only 0.000 apart, marking (T0339)G94.N as missing WARNING: atoms too close: (T0339)K93.N and (T0339)G323.N only 0.000 apart, marking (T0339)K93.N as missing WARNING: atoms too close: (T0339)S92.N and (T0339)G323.N only 0.000 apart, marking (T0339)S92.N as missing WARNING: atoms too close: (T0339)T91.N and (T0339)G323.N only 0.000 apart, marking (T0339)T91.N as missing WARNING: atoms too close: (T0339)Q90.N and (T0339)G323.N only 0.000 apart, marking (T0339)Q90.N as missing WARNING: atoms too close: (T0339)N89.N and (T0339)G323.N only 0.000 apart, marking (T0339)G323.N as missing WARNING: atoms too close: (T0339)P322.CA and (T0339)G323.CA only 0.000 apart, marking (T0339)G323.CA as missing WARNING: atoms too close: (T0339)F310.CA and (T0339)G323.CA only 0.000 apart, marking (T0339)G323.CA as missing WARNING: atoms too close: (T0339)E309.CA and (T0339)G323.CA only 0.000 apart, marking (T0339)G323.CA as missing WARNING: atoms too close: (T0339)A308.CA and (T0339)G323.CA only 0.000 apart, marking (T0339)G323.CA as missing WARNING: atoms too close: (T0339)P250.CA and (T0339)G323.CA only 0.000 apart, marking (T0339)G323.CA as missing WARNING: atoms too close: (T0339)P199.CA and (T0339)G323.CA only 0.000 apart, marking (T0339)G323.CA as missing WARNING: atoms too close: (T0339)P198.CA and (T0339)G323.CA only 0.000 apart, marking (T0339)G323.CA as missing WARNING: atoms too close: (T0339)L197.CA and (T0339)G323.CA only 0.000 apart, marking (T0339)G323.CA as missing WARNING: atoms too close: (T0339)G196.CA and (T0339)G323.CA only 0.000 apart, marking (T0339)G323.CA as missing WARNING: atoms too close: (T0339)A195.CA and (T0339)G323.CA only 0.000 apart, marking (T0339)G323.CA as missing WARNING: atoms too close: (T0339)A194.CA and (T0339)G323.CA only 0.000 apart, marking (T0339)G323.CA as missing WARNING: atoms too close: (T0339)V193.CA and (T0339)G323.CA only 0.000 apart, marking (T0339)G323.CA as missing WARNING: atoms too close: (T0339)R192.CA and (T0339)G323.CA only 0.000 apart, marking (T0339)G323.CA as missing WARNING: atoms too close: (T0339)E191.CA and (T0339)G323.CA only 0.000 apart, marking (T0339)G323.CA as missing WARNING: atoms too close: (T0339)Q190.CA and (T0339)G323.CA only 0.000 apart, marking (T0339)G323.CA as missing WARNING: atoms too close: (T0339)P139.CA and (T0339)G323.CA only 0.000 apart, marking (T0339)G323.CA as missing WARNING: atoms too close: (T0339)V128.CA and (T0339)G323.CA only 0.000 apart, marking (T0339)G323.CA as missing WARNING: atoms too close: (T0339)G105.CA and (T0339)G323.CA only 0.000 apart, marking (T0339)G323.CA as missing WARNING: atoms too close: (T0339)K104.CA and (T0339)G323.CA only 0.000 apart, marking (T0339)G323.CA as missing WARNING: atoms too close: (T0339)V103.CA and (T0339)G323.CA only 0.000 apart, marking (T0339)G323.CA as missing WARNING: atoms too close: (T0339)P102.CA and (T0339)G323.CA only 0.000 apart, marking (T0339)G323.CA as missing WARNING: atoms too close: (T0339)S101.CA and (T0339)G323.CA only 0.000 apart, marking (T0339)G323.CA as missing WARNING: atoms too close: (T0339)H100.CA and (T0339)G323.CA only 0.000 apart, marking (T0339)G323.CA as missing WARNING: atoms too close: (T0339)H99.CA and (T0339)G323.CA only 0.000 apart, marking (T0339)G323.CA as missing WARNING: atoms too close: (T0339)G98.CA and (T0339)G323.CA only 0.000 apart, marking (T0339)G323.CA as missing WARNING: atoms too close: (T0339)G97.CA and (T0339)G323.CA only 0.000 apart, marking (T0339)G323.CA as missing WARNING: atoms too close: (T0339)T96.CA and (T0339)G323.CA only 0.000 apart, marking (T0339)G323.CA as missing WARNING: atoms too close: (T0339)H95.CA and (T0339)G323.CA only 0.000 apart, marking (T0339)G323.CA as missing WARNING: atoms too close: (T0339)G94.CA and (T0339)G323.CA only 0.000 apart, marking (T0339)G323.CA as missing WARNING: atoms too close: (T0339)K93.CA and (T0339)G323.CA only 0.000 apart, marking (T0339)G323.CA as missing WARNING: atoms too close: (T0339)S92.CA and (T0339)G323.CA only 0.000 apart, marking (T0339)G323.CA as missing WARNING: atoms too close: (T0339)T91.CA and (T0339)G323.CA only 0.000 apart, marking (T0339)G323.CA as missing WARNING: atoms too close: (T0339)Q90.CA and (T0339)G323.CA only 0.000 apart, marking (T0339)G323.CA as missing WARNING: atoms too close: (T0339)N89.CA and (T0339)G323.CA only 0.000 apart, marking (T0339)G323.CA as missing WARNING: atoms too close: (T0339)P322.O and (T0339)G323.O only 0.000 apart, marking (T0339)G323.O as missing WARNING: atoms too close: (T0339)F310.O and (T0339)G323.O only 0.000 apart, marking (T0339)G323.O as missing WARNING: atoms too close: (T0339)E309.O and (T0339)G323.O only 0.000 apart, marking (T0339)G323.O as missing WARNING: atoms too close: (T0339)A308.O and (T0339)G323.O only 0.000 apart, marking (T0339)G323.O as missing WARNING: atoms too close: (T0339)P250.O and (T0339)G323.O only 0.000 apart, marking (T0339)G323.O as missing WARNING: atoms too close: (T0339)P199.O and (T0339)G323.O only 0.000 apart, marking (T0339)G323.O as missing WARNING: atoms too close: (T0339)P198.O and (T0339)G323.O only 0.000 apart, marking (T0339)G323.O as missing WARNING: atoms too close: (T0339)L197.O and (T0339)G323.O only 0.000 apart, marking (T0339)G323.O as missing WARNING: atoms too close: (T0339)G196.O and (T0339)G323.O only 0.000 apart, marking (T0339)G323.O as missing WARNING: atoms too close: (T0339)A195.O and (T0339)G323.O only 0.000 apart, marking (T0339)G323.O as missing WARNING: atoms too close: (T0339)A194.O and (T0339)G323.O only 0.000 apart, marking (T0339)G323.O as missing WARNING: atoms too close: (T0339)V193.O and (T0339)G323.O only 0.000 apart, marking (T0339)G323.O as missing WARNING: atoms too close: (T0339)R192.O and (T0339)G323.O only 0.000 apart, marking (T0339)G323.O as missing WARNING: atoms too close: (T0339)E191.O and (T0339)G323.O only 0.000 apart, marking (T0339)G323.O as missing WARNING: atoms too close: (T0339)Q190.O and (T0339)G323.O only 0.000 apart, marking (T0339)G323.O as missing WARNING: atoms too close: (T0339)P139.O and (T0339)G323.O only 0.000 apart, marking (T0339)G323.O as missing WARNING: atoms too close: (T0339)V128.O and (T0339)G323.O only 0.000 apart, marking (T0339)G323.O as missing WARNING: atoms too close: (T0339)G105.O and (T0339)G323.O only 0.000 apart, marking (T0339)G323.O as missing WARNING: atoms too close: (T0339)K104.O and (T0339)G323.O only 0.000 apart, marking (T0339)G323.O as missing WARNING: atoms too close: (T0339)V103.O and (T0339)G323.O only 0.000 apart, marking (T0339)G323.O as missing WARNING: atoms too close: (T0339)P102.O and (T0339)G323.O only 0.000 apart, marking (T0339)G323.O as missing WARNING: atoms too close: (T0339)S101.O and (T0339)G323.O only 0.000 apart, marking (T0339)G323.O as missing WARNING: atoms too close: (T0339)H100.O and (T0339)G323.O only 0.000 apart, marking (T0339)G323.O as missing WARNING: atoms too close: (T0339)H99.O and (T0339)G323.O only 0.000 apart, marking (T0339)G323.O as missing WARNING: atoms too close: (T0339)G98.O and (T0339)G323.O only 0.000 apart, marking (T0339)G323.O as missing WARNING: atoms too close: (T0339)G97.O and (T0339)G323.O only 0.000 apart, marking (T0339)G323.O as missing WARNING: atoms too close: (T0339)T96.O and (T0339)G323.O only 0.000 apart, marking (T0339)G323.O as missing WARNING: atoms too close: (T0339)H95.O and (T0339)G323.O only 0.000 apart, marking (T0339)G323.O as missing WARNING: atoms too close: (T0339)G94.O and (T0339)G323.O only 0.000 apart, marking (T0339)G323.O as missing WARNING: atoms too close: (T0339)K93.O and (T0339)G323.O only 0.000 apart, marking (T0339)G323.O as missing WARNING: atoms too close: (T0339)S92.O and (T0339)G323.O only 0.000 apart, marking (T0339)G323.O as missing WARNING: atoms too close: (T0339)T91.O and (T0339)G323.O only 0.000 apart, marking (T0339)G323.O as missing WARNING: atoms too close: (T0339)Q90.O and (T0339)G323.O only 0.000 apart, marking (T0339)G323.O as missing WARNING: atoms too close: (T0339)N89.O and (T0339)G323.O only 0.000 apart, marking (T0339)G323.O as missing WARNING: atoms too close: (T0339)P322.C and (T0339)G323.C only 0.000 apart, marking (T0339)G323.C as missing WARNING: atoms too close: (T0339)F310.C and (T0339)G323.C only 0.000 apart, marking (T0339)G323.C as missing WARNING: atoms too close: (T0339)E309.C and (T0339)G323.C only 0.000 apart, marking (T0339)G323.C as missing WARNING: atoms too close: (T0339)A308.C and (T0339)G323.C only 0.000 apart, marking (T0339)G323.C as missing WARNING: atoms too close: (T0339)P250.C and (T0339)G323.C only 0.000 apart, marking (T0339)G323.C as missing WARNING: atoms too close: (T0339)P199.C and (T0339)G323.C only 0.000 apart, marking (T0339)G323.C as missing WARNING: atoms too close: (T0339)P198.C and (T0339)G323.C only 0.000 apart, marking (T0339)G323.C as missing WARNING: atoms too close: (T0339)L197.C and (T0339)G323.C only 0.000 apart, marking (T0339)G323.C as missing WARNING: atoms too close: (T0339)G196.C and (T0339)G323.C only 0.000 apart, marking (T0339)G323.C as missing WARNING: atoms too close: (T0339)A195.C and (T0339)G323.C only 0.000 apart, marking (T0339)G323.C as missing WARNING: atoms too close: (T0339)A194.C and (T0339)G323.C only 0.000 apart, marking (T0339)G323.C as missing WARNING: atoms too close: (T0339)V193.C and (T0339)G323.C only 0.000 apart, marking (T0339)G323.C as missing WARNING: atoms too close: (T0339)R192.C and (T0339)G323.C only 0.000 apart, marking (T0339)G323.C as missing WARNING: atoms too close: (T0339)E191.C and (T0339)G323.C only 0.000 apart, marking (T0339)G323.C as missing WARNING: atoms too close: (T0339)Q190.C and (T0339)G323.C only 0.000 apart, marking (T0339)G323.C as missing WARNING: atoms too close: (T0339)P139.C and (T0339)G323.C only 0.000 apart, marking (T0339)G323.C as missing WARNING: atoms too close: (T0339)V128.C and (T0339)G323.C only 0.000 apart, marking (T0339)G323.C as missing WARNING: atoms too close: (T0339)G105.C and (T0339)G323.C only 0.000 apart, marking (T0339)G323.C as missing WARNING: atoms too close: (T0339)K104.C and (T0339)G323.C only 0.000 apart, marking (T0339)G323.C as missing WARNING: atoms too close: (T0339)V103.C and (T0339)G323.C only 0.000 apart, marking (T0339)G323.C as missing WARNING: atoms too close: (T0339)P102.C and (T0339)G323.C only 0.000 apart, marking (T0339)G323.C as missing WARNING: atoms too close: (T0339)S101.C and (T0339)G323.C only 0.000 apart, marking (T0339)G323.C as missing WARNING: atoms too close: (T0339)H100.C and (T0339)G323.C only 0.000 apart, marking (T0339)G323.C as missing WARNING: atoms too close: (T0339)H99.C and (T0339)G323.C only 0.000 apart, marking (T0339)G323.C as missing WARNING: atoms too close: (T0339)G98.C and (T0339)G323.C only 0.000 apart, marking (T0339)G323.C as missing WARNING: atoms too close: (T0339)G97.C and (T0339)G323.C only 0.000 apart, marking (T0339)G323.C as missing WARNING: atoms too close: (T0339)T96.C and (T0339)G323.C only 0.000 apart, marking (T0339)G323.C as missing WARNING: atoms too close: (T0339)H95.C and (T0339)G323.C only 0.000 apart, marking (T0339)G323.C as missing WARNING: atoms too close: (T0339)G94.C and (T0339)G323.C only 0.000 apart, marking (T0339)G323.C as missing WARNING: atoms too close: (T0339)K93.C and (T0339)G323.C only 0.000 apart, marking (T0339)G323.C as missing WARNING: atoms too close: (T0339)S92.C and (T0339)G323.C only 0.000 apart, marking (T0339)G323.C as missing WARNING: atoms too close: (T0339)T91.C and (T0339)G323.C only 0.000 apart, marking (T0339)G323.C as missing WARNING: atoms too close: (T0339)Q90.C and (T0339)G323.C only 0.000 apart, marking (T0339)G323.C as missing WARNING: atoms too close: (T0339)N89.C and (T0339)G323.C only 0.000 apart, marking (T0339)G323.C as missing WARNING: atoms too close: (T0339)G323.N and (T0339)G337.N only 0.000 apart, marking (T0339)G323.N as missing WARNING: atoms too close: (T0339)P322.N and (T0339)G337.N only 0.000 apart, marking (T0339)P322.N as missing WARNING: atoms too close: (T0339)F310.N and (T0339)G337.N only 0.000 apart, marking (T0339)F310.N as missing WARNING: atoms too close: (T0339)E309.N and (T0339)G337.N only 0.000 apart, marking (T0339)E309.N as missing WARNING: atoms too close: (T0339)A308.N and (T0339)G337.N only 0.000 apart, marking (T0339)A308.N as missing WARNING: atoms too close: (T0339)P250.N and (T0339)G337.N only 0.000 apart, marking (T0339)P250.N as missing WARNING: atoms too close: (T0339)P199.N and (T0339)G337.N only 0.000 apart, marking (T0339)P199.N as missing WARNING: atoms too close: (T0339)P198.N and (T0339)G337.N only 0.000 apart, marking (T0339)P198.N as missing WARNING: atoms too close: (T0339)L197.N and (T0339)G337.N only 0.000 apart, marking (T0339)L197.N as missing WARNING: atoms too close: (T0339)G196.N and (T0339)G337.N only 0.000 apart, marking (T0339)G196.N as missing WARNING: atoms too close: (T0339)A195.N and (T0339)G337.N only 0.000 apart, marking (T0339)A195.N as missing WARNING: atoms too close: (T0339)A194.N and (T0339)G337.N only 0.000 apart, marking (T0339)A194.N as missing WARNING: atoms too close: (T0339)V193.N and (T0339)G337.N only 0.000 apart, marking (T0339)V193.N as missing WARNING: atoms too close: (T0339)R192.N and (T0339)G337.N only 0.000 apart, marking (T0339)R192.N as missing WARNING: atoms too close: (T0339)E191.N and (T0339)G337.N only 0.000 apart, marking (T0339)E191.N as missing WARNING: atoms too close: (T0339)Q190.N and (T0339)G337.N only 0.000 apart, marking (T0339)Q190.N as missing WARNING: atoms too close: (T0339)P139.N and (T0339)G337.N only 0.000 apart, marking (T0339)P139.N as missing WARNING: atoms too close: (T0339)V128.N and (T0339)G337.N only 0.000 apart, marking (T0339)V128.N as missing WARNING: atoms too close: (T0339)G105.N and (T0339)G337.N only 0.000 apart, marking (T0339)G105.N as missing WARNING: atoms too close: (T0339)K104.N and (T0339)G337.N only 0.000 apart, marking (T0339)K104.N as missing WARNING: atoms too close: (T0339)V103.N and (T0339)G337.N only 0.000 apart, marking (T0339)V103.N as missing WARNING: atoms too close: (T0339)P102.N and (T0339)G337.N only 0.000 apart, marking (T0339)P102.N as missing WARNING: atoms too close: (T0339)S101.N and (T0339)G337.N only 0.000 apart, marking (T0339)S101.N as missing WARNING: atoms too close: (T0339)H100.N and (T0339)G337.N only 0.000 apart, marking (T0339)H100.N as missing WARNING: atoms too close: (T0339)H99.N and (T0339)G337.N only 0.000 apart, marking (T0339)H99.N as missing WARNING: atoms too close: (T0339)G98.N and (T0339)G337.N only 0.000 apart, marking (T0339)G98.N as missing WARNING: atoms too close: (T0339)G97.N and (T0339)G337.N only 0.000 apart, marking (T0339)G97.N as missing WARNING: atoms too close: (T0339)T96.N and (T0339)G337.N only 0.000 apart, marking (T0339)T96.N as missing WARNING: atoms too close: (T0339)H95.N and (T0339)G337.N only 0.000 apart, marking (T0339)H95.N as missing WARNING: atoms too close: (T0339)G94.N and (T0339)G337.N only 0.000 apart, marking (T0339)G94.N as missing WARNING: atoms too close: (T0339)K93.N and (T0339)G337.N only 0.000 apart, marking (T0339)K93.N as missing WARNING: atoms too close: (T0339)S92.N and (T0339)G337.N only 0.000 apart, marking (T0339)S92.N as missing WARNING: atoms too close: (T0339)T91.N and (T0339)G337.N only 0.000 apart, marking (T0339)T91.N as missing WARNING: atoms too close: (T0339)Q90.N and (T0339)G337.N only 0.000 apart, marking (T0339)Q90.N as missing WARNING: atoms too close: (T0339)N89.N and (T0339)G337.N only 0.000 apart, marking (T0339)G337.N as missing WARNING: atoms too close: (T0339)G323.CA and (T0339)G337.CA only 0.000 apart, marking (T0339)G337.CA as missing WARNING: atoms too close: (T0339)P322.CA and (T0339)G337.CA only 0.000 apart, marking (T0339)G337.CA as missing WARNING: atoms too close: (T0339)F310.CA and (T0339)G337.CA only 0.000 apart, marking (T0339)G337.CA as missing WARNING: atoms too close: (T0339)E309.CA and (T0339)G337.CA only 0.000 apart, marking (T0339)G337.CA as missing WARNING: atoms too close: (T0339)A308.CA and (T0339)G337.CA only 0.000 apart, marking (T0339)G337.CA as missing WARNING: atoms too close: (T0339)P250.CA and (T0339)G337.CA only 0.000 apart, marking (T0339)G337.CA as missing WARNING: atoms too close: (T0339)P199.CA and (T0339)G337.CA only 0.000 apart, marking (T0339)G337.CA as missing WARNING: atoms too close: (T0339)P198.CA and (T0339)G337.CA only 0.000 apart, marking (T0339)G337.CA as missing WARNING: atoms too close: (T0339)L197.CA and (T0339)G337.CA only 0.000 apart, marking (T0339)G337.CA as missing WARNING: atoms too close: (T0339)G196.CA and (T0339)G337.CA only 0.000 apart, marking (T0339)G337.CA as missing WARNING: atoms too close: (T0339)A195.CA and (T0339)G337.CA only 0.000 apart, marking (T0339)G337.CA as missing WARNING: atoms too close: (T0339)A194.CA and (T0339)G337.CA only 0.000 apart, marking (T0339)G337.CA as missing WARNING: atoms too close: (T0339)V193.CA and (T0339)G337.CA only 0.000 apart, marking (T0339)G337.CA as missing WARNING: atoms too close: (T0339)R192.CA and (T0339)G337.CA only 0.000 apart, marking (T0339)G337.CA as missing WARNING: atoms too close: (T0339)E191.CA and (T0339)G337.CA only 0.000 apart, marking (T0339)G337.CA as missing WARNING: atoms too close: (T0339)Q190.CA and (T0339)G337.CA only 0.000 apart, marking (T0339)G337.CA as missing WARNING: atoms too close: (T0339)P139.CA and (T0339)G337.CA only 0.000 apart, marking (T0339)G337.CA as missing WARNING: atoms too close: (T0339)V128.CA and (T0339)G337.CA only 0.000 apart, marking (T0339)G337.CA as missing WARNING: atoms too close: (T0339)G105.CA and (T0339)G337.CA only 0.000 apart, marking (T0339)G337.CA as missing WARNING: atoms too close: (T0339)K104.CA and (T0339)G337.CA only 0.000 apart, marking (T0339)G337.CA as missing WARNING: atoms too close: (T0339)V103.CA and (T0339)G337.CA only 0.000 apart, marking (T0339)G337.CA as missing WARNING: atoms too close: (T0339)P102.CA and (T0339)G337.CA only 0.000 apart, marking (T0339)G337.CA as missing WARNING: atoms too close: (T0339)S101.CA and (T0339)G337.CA only 0.000 apart, marking (T0339)G337.CA as missing WARNING: atoms too close: (T0339)H100.CA and (T0339)G337.CA only 0.000 apart, marking (T0339)G337.CA as missing WARNING: atoms too close: (T0339)H99.CA and (T0339)G337.CA only 0.000 apart, marking (T0339)G337.CA as missing WARNING: atoms too close: (T0339)G98.CA and (T0339)G337.CA only 0.000 apart, marking (T0339)G337.CA as missing WARNING: atoms too close: (T0339)G97.CA and (T0339)G337.CA only 0.000 apart, marking (T0339)G337.CA as missing WARNING: atoms too close: (T0339)T96.CA and (T0339)G337.CA only 0.000 apart, marking (T0339)G337.CA as missing WARNING: atoms too close: (T0339)H95.CA and (T0339)G337.CA only 0.000 apart, marking (T0339)G337.CA as missing WARNING: atoms too close: (T0339)G94.CA and (T0339)G337.CA only 0.000 apart, marking (T0339)G337.CA as missing WARNING: atoms too close: (T0339)K93.CA and (T0339)G337.CA only 0.000 apart, marking (T0339)G337.CA as missing WARNING: atoms too close: (T0339)S92.CA and (T0339)G337.CA only 0.000 apart, marking (T0339)G337.CA as missing WARNING: atoms too close: (T0339)T91.CA and (T0339)G337.CA only 0.000 apart, marking (T0339)G337.CA as missing WARNING: atoms too close: (T0339)Q90.CA and (T0339)G337.CA only 0.000 apart, marking (T0339)G337.CA as missing WARNING: atoms too close: (T0339)N89.CA and (T0339)G337.CA only 0.000 apart, marking (T0339)G337.CA as missing WARNING: atoms too close: (T0339)G323.O and (T0339)G337.O only 0.000 apart, marking (T0339)G337.O as missing WARNING: atoms too close: (T0339)P322.O and (T0339)G337.O only 0.000 apart, marking (T0339)G337.O as missing WARNING: atoms too close: (T0339)F310.O and (T0339)G337.O only 0.000 apart, marking (T0339)G337.O as missing WARNING: atoms too close: (T0339)E309.O and (T0339)G337.O only 0.000 apart, marking (T0339)G337.O as missing WARNING: atoms too close: (T0339)A308.O and (T0339)G337.O only 0.000 apart, marking (T0339)G337.O as missing WARNING: atoms too close: (T0339)P250.O and (T0339)G337.O only 0.000 apart, marking (T0339)G337.O as missing WARNING: atoms too close: (T0339)P199.O and (T0339)G337.O only 0.000 apart, marking (T0339)G337.O as missing WARNING: atoms too close: (T0339)P198.O and (T0339)G337.O only 0.000 apart, marking (T0339)G337.O as missing WARNING: atoms too close: (T0339)L197.O and (T0339)G337.O only 0.000 apart, marking (T0339)G337.O as missing WARNING: atoms too close: (T0339)G196.O and (T0339)G337.O only 0.000 apart, marking (T0339)G337.O as missing WARNING: atoms too close: (T0339)A195.O and (T0339)G337.O only 0.000 apart, marking (T0339)G337.O as missing WARNING: atoms too close: (T0339)A194.O and (T0339)G337.O only 0.000 apart, marking (T0339)G337.O as missing WARNING: atoms too close: (T0339)V193.O and (T0339)G337.O only 0.000 apart, marking (T0339)G337.O as missing WARNING: atoms too close: (T0339)R192.O and (T0339)G337.O only 0.000 apart, marking (T0339)G337.O as missing WARNING: atoms too close: (T0339)E191.O and (T0339)G337.O only 0.000 apart, marking (T0339)G337.O as missing WARNING: atoms too close: (T0339)Q190.O and (T0339)G337.O only 0.000 apart, marking (T0339)G337.O as missing WARNING: atoms too close: (T0339)P139.O and (T0339)G337.O only 0.000 apart, marking (T0339)G337.O as missing WARNING: atoms too close: (T0339)V128.O and (T0339)G337.O only 0.000 apart, marking (T0339)G337.O as missing WARNING: atoms too close: (T0339)G105.O and (T0339)G337.O only 0.000 apart, marking (T0339)G337.O as missing WARNING: atoms too close: (T0339)K104.O and (T0339)G337.O only 0.000 apart, marking (T0339)G337.O as missing WARNING: atoms too close: (T0339)V103.O and (T0339)G337.O only 0.000 apart, marking (T0339)G337.O as missing WARNING: atoms too close: (T0339)P102.O and (T0339)G337.O only 0.000 apart, marking (T0339)G337.O as missing WARNING: atoms too close: (T0339)S101.O and (T0339)G337.O only 0.000 apart, marking (T0339)G337.O as missing WARNING: atoms too close: (T0339)H100.O and (T0339)G337.O only 0.000 apart, marking (T0339)G337.O as missing WARNING: atoms too close: (T0339)H99.O and (T0339)G337.O only 0.000 apart, marking (T0339)G337.O as missing WARNING: atoms too close: (T0339)G98.O and (T0339)G337.O only 0.000 apart, marking (T0339)G337.O as missing WARNING: atoms too close: (T0339)G97.O and (T0339)G337.O only 0.000 apart, marking (T0339)G337.O as missing WARNING: atoms too close: (T0339)T96.O and (T0339)G337.O only 0.000 apart, marking (T0339)G337.O as missing WARNING: atoms too close: (T0339)H95.O and (T0339)G337.O only 0.000 apart, marking (T0339)G337.O as missing WARNING: atoms too close: (T0339)G94.O and (T0339)G337.O only 0.000 apart, marking (T0339)G337.O as missing WARNING: atoms too close: (T0339)K93.O and (T0339)G337.O only 0.000 apart, marking (T0339)G337.O as missing WARNING: atoms too close: (T0339)S92.O and (T0339)G337.O only 0.000 apart, marking (T0339)G337.O as missing WARNING: atoms too close: (T0339)T91.O and (T0339)G337.O only 0.000 apart, marking (T0339)G337.O as missing WARNING: atoms too close: (T0339)Q90.O and (T0339)G337.O only 0.000 apart, marking (T0339)G337.O as missing WARNING: atoms too close: (T0339)N89.O and (T0339)G337.O only 0.000 apart, marking (T0339)G337.O as missing WARNING: atoms too close: (T0339)G323.C and (T0339)G337.C only 0.000 apart, marking (T0339)G337.C as missing WARNING: atoms too close: (T0339)P322.C and (T0339)G337.C only 0.000 apart, marking (T0339)G337.C as missing WARNING: atoms too close: (T0339)F310.C and (T0339)G337.C only 0.000 apart, marking (T0339)G337.C as missing WARNING: atoms too close: (T0339)E309.C and (T0339)G337.C only 0.000 apart, marking (T0339)G337.C as missing WARNING: atoms too close: (T0339)A308.C and (T0339)G337.C only 0.000 apart, marking (T0339)G337.C as missing WARNING: atoms too close: (T0339)P250.C and (T0339)G337.C only 0.000 apart, marking (T0339)G337.C as missing WARNING: atoms too close: (T0339)P199.C and (T0339)G337.C only 0.000 apart, marking (T0339)G337.C as missing WARNING: atoms too close: (T0339)P198.C and (T0339)G337.C only 0.000 apart, marking (T0339)G337.C as missing WARNING: atoms too close: (T0339)L197.C and (T0339)G337.C only 0.000 apart, marking (T0339)G337.C as missing WARNING: atoms too close: (T0339)G196.C and (T0339)G337.C only 0.000 apart, marking (T0339)G337.C as missing WARNING: atoms too close: (T0339)A195.C and (T0339)G337.C only 0.000 apart, marking (T0339)G337.C as missing WARNING: atoms too close: (T0339)A194.C and (T0339)G337.C only 0.000 apart, marking (T0339)G337.C as missing WARNING: atoms too close: (T0339)V193.C and (T0339)G337.C only 0.000 apart, marking (T0339)G337.C as missing WARNING: atoms too close: (T0339)R192.C and (T0339)G337.C only 0.000 apart, marking (T0339)G337.C as missing WARNING: atoms too close: (T0339)E191.C and (T0339)G337.C only 0.000 apart, marking (T0339)G337.C as missing WARNING: atoms too close: (T0339)Q190.C and (T0339)G337.C only 0.000 apart, marking (T0339)G337.C as missing WARNING: atoms too close: (T0339)P139.C and (T0339)G337.C only 0.000 apart, marking (T0339)G337.C as missing WARNING: atoms too close: (T0339)V128.C and (T0339)G337.C only 0.000 apart, marking (T0339)G337.C as missing WARNING: atoms too close: (T0339)G105.C and (T0339)G337.C only 0.000 apart, marking (T0339)G337.C as missing WARNING: atoms too close: (T0339)K104.C and (T0339)G337.C only 0.000 apart, marking (T0339)G337.C as missing WARNING: atoms too close: (T0339)V103.C and (T0339)G337.C only 0.000 apart, marking (T0339)G337.C as missing WARNING: atoms too close: (T0339)P102.C and (T0339)G337.C only 0.000 apart, marking (T0339)G337.C as missing WARNING: atoms too close: (T0339)S101.C and (T0339)G337.C only 0.000 apart, marking (T0339)G337.C as missing WARNING: atoms too close: (T0339)H100.C and (T0339)G337.C only 0.000 apart, marking (T0339)G337.C as missing WARNING: atoms too close: (T0339)H99.C and (T0339)G337.C only 0.000 apart, marking (T0339)G337.C as missing WARNING: atoms too close: (T0339)G98.C and (T0339)G337.C only 0.000 apart, marking (T0339)G337.C as missing WARNING: atoms too close: (T0339)G97.C and (T0339)G337.C only 0.000 apart, marking (T0339)G337.C as missing WARNING: atoms too close: (T0339)T96.C and (T0339)G337.C only 0.000 apart, marking (T0339)G337.C as missing WARNING: atoms too close: (T0339)H95.C and (T0339)G337.C only 0.000 apart, marking (T0339)G337.C as missing WARNING: atoms too close: (T0339)G94.C and (T0339)G337.C only 0.000 apart, marking (T0339)G337.C as missing WARNING: atoms too close: (T0339)K93.C and (T0339)G337.C only 0.000 apart, marking (T0339)G337.C as missing WARNING: atoms too close: (T0339)S92.C and (T0339)G337.C only 0.000 apart, marking (T0339)G337.C as missing WARNING: atoms too close: (T0339)T91.C and (T0339)G337.C only 0.000 apart, marking (T0339)G337.C as missing WARNING: atoms too close: (T0339)Q90.C and (T0339)G337.C only 0.000 apart, marking (T0339)G337.C as missing WARNING: atoms too close: (T0339)N89.C and (T0339)G337.C only 0.000 apart, marking (T0339)G337.C as missing WARNING: atoms too close: (T0339)G337.N and (T0339)P338.N only 0.000 apart, marking (T0339)G337.N as missing WARNING: atoms too close: (T0339)G323.N and (T0339)P338.N only 0.000 apart, marking (T0339)G323.N as missing WARNING: atoms too close: (T0339)P322.N and (T0339)P338.N only 0.000 apart, marking (T0339)P322.N as missing WARNING: atoms too close: (T0339)F310.N and (T0339)P338.N only 0.000 apart, marking (T0339)F310.N as missing WARNING: atoms too close: (T0339)E309.N and (T0339)P338.N only 0.000 apart, marking (T0339)E309.N as missing WARNING: atoms too close: (T0339)A308.N and (T0339)P338.N only 0.000 apart, marking (T0339)A308.N as missing WARNING: atoms too close: (T0339)P250.N and (T0339)P338.N only 0.000 apart, marking (T0339)P250.N as missing WARNING: atoms too close: (T0339)P199.N and (T0339)P338.N only 0.000 apart, marking (T0339)P199.N as missing WARNING: atoms too close: (T0339)P198.N and (T0339)P338.N only 0.000 apart, marking (T0339)P198.N as missing WARNING: atoms too close: (T0339)L197.N and (T0339)P338.N only 0.000 apart, marking (T0339)L197.N as missing WARNING: atoms too close: (T0339)G196.N and (T0339)P338.N only 0.000 apart, marking (T0339)G196.N as missing WARNING: atoms too close: (T0339)A195.N and (T0339)P338.N only 0.000 apart, marking (T0339)A195.N as missing WARNING: atoms too close: (T0339)A194.N and (T0339)P338.N only 0.000 apart, marking (T0339)A194.N as missing WARNING: atoms too close: (T0339)V193.N and (T0339)P338.N only 0.000 apart, marking (T0339)V193.N as missing WARNING: atoms too close: (T0339)R192.N and (T0339)P338.N only 0.000 apart, marking (T0339)R192.N as missing WARNING: atoms too close: (T0339)E191.N and (T0339)P338.N only 0.000 apart, marking (T0339)E191.N as missing WARNING: atoms too close: (T0339)Q190.N and (T0339)P338.N only 0.000 apart, marking (T0339)Q190.N as missing WARNING: atoms too close: (T0339)P139.N and (T0339)P338.N only 0.000 apart, marking (T0339)P139.N as missing WARNING: atoms too close: (T0339)V128.N and (T0339)P338.N only 0.000 apart, marking (T0339)V128.N as missing WARNING: atoms too close: (T0339)G105.N and (T0339)P338.N only 0.000 apart, marking (T0339)G105.N as missing WARNING: atoms too close: (T0339)K104.N and (T0339)P338.N only 0.000 apart, marking (T0339)K104.N as missing WARNING: atoms too close: (T0339)V103.N and (T0339)P338.N only 0.000 apart, marking (T0339)V103.N as missing WARNING: atoms too close: (T0339)P102.N and (T0339)P338.N only 0.000 apart, marking (T0339)P102.N as missing WARNING: atoms too close: (T0339)S101.N and (T0339)P338.N only 0.000 apart, marking (T0339)S101.N as missing WARNING: atoms too close: (T0339)H100.N and (T0339)P338.N only 0.000 apart, marking (T0339)H100.N as missing WARNING: atoms too close: (T0339)H99.N and (T0339)P338.N only 0.000 apart, marking (T0339)H99.N as missing WARNING: atoms too close: (T0339)G98.N and (T0339)P338.N only 0.000 apart, marking (T0339)G98.N as missing WARNING: atoms too close: (T0339)G97.N and (T0339)P338.N only 0.000 apart, marking (T0339)G97.N as missing WARNING: atoms too close: (T0339)T96.N and (T0339)P338.N only 0.000 apart, marking (T0339)T96.N as missing WARNING: atoms too close: (T0339)H95.N and (T0339)P338.N only 0.000 apart, marking (T0339)H95.N as missing WARNING: atoms too close: (T0339)G94.N and (T0339)P338.N only 0.000 apart, marking (T0339)G94.N as missing WARNING: atoms too close: (T0339)K93.N and (T0339)P338.N only 0.000 apart, marking (T0339)K93.N as missing WARNING: atoms too close: (T0339)S92.N and (T0339)P338.N only 0.000 apart, marking (T0339)S92.N as missing WARNING: atoms too close: (T0339)T91.N and (T0339)P338.N only 0.000 apart, marking (T0339)T91.N as missing WARNING: atoms too close: (T0339)Q90.N and (T0339)P338.N only 0.000 apart, marking (T0339)Q90.N as missing WARNING: atoms too close: (T0339)N89.N and (T0339)P338.N only 0.000 apart, marking (T0339)P338.N as missing WARNING: atoms too close: (T0339)G337.CA and (T0339)P338.CA only 0.000 apart, marking (T0339)P338.CA as missing WARNING: atoms too close: (T0339)G323.CA and (T0339)P338.CA only 0.000 apart, marking (T0339)P338.CA as missing WARNING: atoms too close: (T0339)P322.CA and (T0339)P338.CA only 0.000 apart, marking (T0339)P338.CA as missing WARNING: atoms too close: (T0339)F310.CA and (T0339)P338.CA only 0.000 apart, marking (T0339)P338.CA as missing WARNING: atoms too close: (T0339)E309.CA and (T0339)P338.CA only 0.000 apart, marking (T0339)P338.CA as missing WARNING: atoms too close: (T0339)A308.CA and (T0339)P338.CA only 0.000 apart, marking (T0339)P338.CA as missing WARNING: atoms too close: (T0339)P250.CA and (T0339)P338.CA only 0.000 apart, marking (T0339)P338.CA as missing WARNING: atoms too close: (T0339)P199.CA and (T0339)P338.CA only 0.000 apart, marking (T0339)P338.CA as missing WARNING: atoms too close: (T0339)P198.CA and (T0339)P338.CA only 0.000 apart, marking (T0339)P338.CA as missing WARNING: atoms too close: (T0339)L197.CA and (T0339)P338.CA only 0.000 apart, marking (T0339)P338.CA as missing WARNING: atoms too close: (T0339)G196.CA and (T0339)P338.CA only 0.000 apart, marking (T0339)P338.CA as missing WARNING: atoms too close: (T0339)A195.CA and (T0339)P338.CA only 0.000 apart, marking (T0339)P338.CA as missing WARNING: atoms too close: (T0339)A194.CA and (T0339)P338.CA only 0.000 apart, marking (T0339)P338.CA as missing WARNING: atoms too close: (T0339)V193.CA and (T0339)P338.CA only 0.000 apart, marking (T0339)P338.CA as missing WARNING: atoms too close: (T0339)R192.CA and (T0339)P338.CA only 0.000 apart, marking (T0339)P338.CA as missing WARNING: atoms too close: (T0339)E191.CA and (T0339)P338.CA only 0.000 apart, marking (T0339)P338.CA as missing WARNING: atoms too close: (T0339)Q190.CA and (T0339)P338.CA only 0.000 apart, marking (T0339)P338.CA as missing WARNING: atoms too close: (T0339)P139.CA and (T0339)P338.CA only 0.000 apart, marking (T0339)P338.CA as missing WARNING: atoms too close: (T0339)V128.CA and (T0339)P338.CA only 0.000 apart, marking (T0339)P338.CA as missing WARNING: atoms too close: (T0339)G105.CA and (T0339)P338.CA only 0.000 apart, marking (T0339)P338.CA as missing WARNING: atoms too close: (T0339)K104.CA and (T0339)P338.CA only 0.000 apart, marking (T0339)P338.CA as missing WARNING: atoms too close: (T0339)V103.CA and (T0339)P338.CA only 0.000 apart, marking (T0339)P338.CA as missing WARNING: atoms too close: (T0339)P102.CA and (T0339)P338.CA only 0.000 apart, marking (T0339)P338.CA as missing WARNING: atoms too close: (T0339)S101.CA and (T0339)P338.CA only 0.000 apart, marking (T0339)P338.CA as missing WARNING: atoms too close: (T0339)H100.CA and (T0339)P338.CA only 0.000 apart, marking (T0339)P338.CA as missing WARNING: atoms too close: (T0339)H99.CA and (T0339)P338.CA only 0.000 apart, marking (T0339)P338.CA as missing WARNING: atoms too close: (T0339)G98.CA and (T0339)P338.CA only 0.000 apart, marking (T0339)P338.CA as missing WARNING: atoms too close: (T0339)G97.CA and (T0339)P338.CA only 0.000 apart, marking (T0339)P338.CA as missing WARNING: atoms too close: (T0339)T96.CA and (T0339)P338.CA only 0.000 apart, marking (T0339)P338.CA as missing WARNING: atoms too close: (T0339)H95.CA and (T0339)P338.CA only 0.000 apart, marking (T0339)P338.CA as missing WARNING: atoms too close: (T0339)G94.CA and (T0339)P338.CA only 0.000 apart, marking (T0339)P338.CA as missing WARNING: atoms too close: (T0339)K93.CA and (T0339)P338.CA only 0.000 apart, marking (T0339)P338.CA as missing WARNING: atoms too close: (T0339)S92.CA and (T0339)P338.CA only 0.000 apart, marking (T0339)P338.CA as missing WARNING: atoms too close: (T0339)T91.CA and (T0339)P338.CA only 0.000 apart, marking (T0339)P338.CA as missing WARNING: atoms too close: (T0339)Q90.CA and (T0339)P338.CA only 0.000 apart, marking (T0339)P338.CA as missing WARNING: atoms too close: (T0339)N89.CA and (T0339)P338.CA only 0.000 apart, marking (T0339)P338.CA as missing WARNING: atoms too close: (T0339)P322.CB and (T0339)P338.CB only 0.000 apart, marking (T0339)P338.CB as missing WARNING: atoms too close: (T0339)F310.CB and (T0339)P338.CB only 0.000 apart, marking (T0339)P338.CB as missing WARNING: atoms too close: (T0339)E309.CB and (T0339)P338.CB only 0.000 apart, marking (T0339)P338.CB as missing WARNING: atoms too close: (T0339)A308.CB and (T0339)P338.CB only 0.000 apart, marking (T0339)P338.CB as missing WARNING: atoms too close: (T0339)P250.CB and (T0339)P338.CB only 0.000 apart, marking (T0339)P338.CB as missing WARNING: atoms too close: (T0339)P199.CB and (T0339)P338.CB only 0.000 apart, marking (T0339)P338.CB as missing WARNING: atoms too close: (T0339)P198.CB and (T0339)P338.CB only 0.000 apart, marking (T0339)P338.CB as missing WARNING: atoms too close: (T0339)L197.CB and (T0339)P338.CB only 0.000 apart, marking (T0339)P338.CB as missing WARNING: atoms too close: (T0339)A195.CB and (T0339)P338.CB only 0.000 apart, marking (T0339)P338.CB as missing WARNING: atoms too close: (T0339)A194.CB and (T0339)P338.CB only 0.000 apart, marking (T0339)P338.CB as missing WARNING: atoms too close: (T0339)V193.CB and (T0339)P338.CB only 0.000 apart, marking (T0339)P338.CB as missing WARNING: atoms too close: (T0339)R192.CB and (T0339)P338.CB only 0.000 apart, marking (T0339)P338.CB as missing WARNING: atoms too close: (T0339)E191.CB and (T0339)P338.CB only 0.000 apart, marking (T0339)P338.CB as missing WARNING: atoms too close: (T0339)Q190.CB and (T0339)P338.CB only 0.000 apart, marking (T0339)P338.CB as missing WARNING: atoms too close: (T0339)P139.CB and (T0339)P338.CB only 0.000 apart, marking (T0339)P338.CB as missing WARNING: atoms too close: (T0339)V128.CB and (T0339)P338.CB only 0.000 apart, marking (T0339)P338.CB as missing WARNING: atoms too close: (T0339)K104.CB and (T0339)P338.CB only 0.000 apart, marking (T0339)P338.CB as missing WARNING: atoms too close: (T0339)V103.CB and (T0339)P338.CB only 0.000 apart, marking (T0339)P338.CB as missing WARNING: atoms too close: (T0339)P102.CB and (T0339)P338.CB only 0.000 apart, marking (T0339)P338.CB as missing WARNING: atoms too close: (T0339)S101.CB and (T0339)P338.CB only 0.000 apart, marking (T0339)P338.CB as missing WARNING: atoms too close: (T0339)H100.CB and (T0339)P338.CB only 0.000 apart, marking (T0339)P338.CB as missing WARNING: atoms too close: (T0339)H99.CB and (T0339)P338.CB only 0.000 apart, marking (T0339)P338.CB as missing WARNING: atoms too close: (T0339)T96.CB and (T0339)P338.CB only 0.000 apart, marking (T0339)P338.CB as missing WARNING: atoms too close: (T0339)H95.CB and (T0339)P338.CB only 0.000 apart, marking (T0339)P338.CB as missing WARNING: atoms too close: (T0339)K93.CB and (T0339)P338.CB only 0.000 apart, marking (T0339)P338.CB as missing WARNING: atoms too close: (T0339)S92.CB and (T0339)P338.CB only 0.000 apart, marking (T0339)P338.CB as missing WARNING: atoms too close: (T0339)T91.CB and (T0339)P338.CB only 0.000 apart, marking (T0339)P338.CB as missing WARNING: atoms too close: (T0339)Q90.CB and (T0339)P338.CB only 0.000 apart, marking (T0339)P338.CB as missing WARNING: atoms too close: (T0339)N89.CB and (T0339)P338.CB only 0.000 apart, marking (T0339)P338.CB as missing WARNING: atoms too close: (T0339)G337.O and (T0339)P338.O only 0.000 apart, marking (T0339)P338.O as missing WARNING: atoms too close: (T0339)G323.O and (T0339)P338.O only 0.000 apart, marking (T0339)P338.O as missing WARNING: atoms too close: (T0339)P322.O and (T0339)P338.O only 0.000 apart, marking (T0339)P338.O as missing WARNING: atoms too close: (T0339)F310.O and (T0339)P338.O only 0.000 apart, marking (T0339)P338.O as missing WARNING: atoms too close: (T0339)E309.O and (T0339)P338.O only 0.000 apart, marking (T0339)P338.O as missing WARNING: atoms too close: (T0339)A308.O and (T0339)P338.O only 0.000 apart, marking (T0339)P338.O as missing WARNING: atoms too close: (T0339)P250.O and (T0339)P338.O only 0.000 apart, marking (T0339)P338.O as missing WARNING: atoms too close: (T0339)P199.O and (T0339)P338.O only 0.000 apart, marking (T0339)P338.O as missing WARNING: atoms too close: (T0339)P198.O and (T0339)P338.O only 0.000 apart, marking (T0339)P338.O as missing WARNING: atoms too close: (T0339)L197.O and (T0339)P338.O only 0.000 apart, marking (T0339)P338.O as missing WARNING: atoms too close: (T0339)G196.O and (T0339)P338.O only 0.000 apart, marking (T0339)P338.O as missing WARNING: atoms too close: (T0339)A195.O and (T0339)P338.O only 0.000 apart, marking (T0339)P338.O as missing WARNING: atoms too close: (T0339)A194.O and (T0339)P338.O only 0.000 apart, marking (T0339)P338.O as missing WARNING: atoms too close: (T0339)V193.O and (T0339)P338.O only 0.000 apart, marking (T0339)P338.O as missing WARNING: atoms too close: (T0339)R192.O and (T0339)P338.O only 0.000 apart, marking (T0339)P338.O as missing WARNING: atoms too close: (T0339)E191.O and (T0339)P338.O only 0.000 apart, marking (T0339)P338.O as missing WARNING: atoms too close: (T0339)Q190.O and (T0339)P338.O only 0.000 apart, marking (T0339)P338.O as missing WARNING: atoms too close: (T0339)P139.O and (T0339)P338.O only 0.000 apart, marking (T0339)P338.O as missing WARNING: atoms too close: (T0339)V128.O and (T0339)P338.O only 0.000 apart, marking (T0339)P338.O as missing WARNING: atoms too close: (T0339)G105.O and (T0339)P338.O only 0.000 apart, marking (T0339)P338.O as missing WARNING: atoms too close: (T0339)K104.O and (T0339)P338.O only 0.000 apart, marking (T0339)P338.O as missing WARNING: atoms too close: (T0339)V103.O and (T0339)P338.O only 0.000 apart, marking (T0339)P338.O as missing WARNING: atoms too close: (T0339)P102.O and (T0339)P338.O only 0.000 apart, marking (T0339)P338.O as missing WARNING: atoms too close: (T0339)S101.O and (T0339)P338.O only 0.000 apart, marking (T0339)P338.O as missing WARNING: atoms too close: (T0339)H100.O and (T0339)P338.O only 0.000 apart, marking (T0339)P338.O as missing WARNING: atoms too close: (T0339)H99.O and (T0339)P338.O only 0.000 apart, marking (T0339)P338.O as missing WARNING: atoms too close: (T0339)G98.O and (T0339)P338.O only 0.000 apart, marking (T0339)P338.O as missing WARNING: atoms too close: (T0339)G97.O and (T0339)P338.O only 0.000 apart, marking (T0339)P338.O as missing WARNING: atoms too close: (T0339)T96.O and (T0339)P338.O only 0.000 apart, marking (T0339)P338.O as missing WARNING: atoms too close: (T0339)H95.O and (T0339)P338.O only 0.000 apart, marking (T0339)P338.O as missing WARNING: atoms too close: (T0339)G94.O and (T0339)P338.O only 0.000 apart, marking (T0339)P338.O as missing WARNING: atoms too close: (T0339)K93.O and (T0339)P338.O only 0.000 apart, marking (T0339)P338.O as missing WARNING: atoms too close: (T0339)S92.O and (T0339)P338.O only 0.000 apart, marking (T0339)P338.O as missing WARNING: atoms too close: (T0339)T91.O and (T0339)P338.O only 0.000 apart, marking (T0339)P338.O as missing WARNING: atoms too close: (T0339)Q90.O and (T0339)P338.O only 0.000 apart, marking (T0339)P338.O as missing WARNING: atoms too close: (T0339)N89.O and (T0339)P338.O only 0.000 apart, marking (T0339)P338.O as missing WARNING: atoms too close: (T0339)G337.C and (T0339)P338.C only 0.000 apart, marking (T0339)P338.C as missing WARNING: atoms too close: (T0339)G323.C and (T0339)P338.C only 0.000 apart, marking (T0339)P338.C as missing WARNING: atoms too close: (T0339)P322.C and (T0339)P338.C only 0.000 apart, marking (T0339)P338.C as missing WARNING: atoms too close: (T0339)F310.C and (T0339)P338.C only 0.000 apart, marking (T0339)P338.C as missing WARNING: atoms too close: (T0339)E309.C and (T0339)P338.C only 0.000 apart, marking (T0339)P338.C as missing WARNING: atoms too close: (T0339)A308.C and (T0339)P338.C only 0.000 apart, marking (T0339)P338.C as missing WARNING: atoms too close: (T0339)P250.C and (T0339)P338.C only 0.000 apart, marking (T0339)P338.C as missing WARNING: atoms too close: (T0339)P199.C and (T0339)P338.C only 0.000 apart, marking (T0339)P338.C as missing WARNING: atoms too close: (T0339)P198.C and (T0339)P338.C only 0.000 apart, marking (T0339)P338.C as missing WARNING: atoms too close: (T0339)L197.C and (T0339)P338.C only 0.000 apart, marking (T0339)P338.C as missing WARNING: atoms too close: (T0339)G196.C and (T0339)P338.C only 0.000 apart, marking (T0339)P338.C as missing WARNING: atoms too close: (T0339)A195.C and (T0339)P338.C only 0.000 apart, marking (T0339)P338.C as missing WARNING: atoms too close: (T0339)A194.C and (T0339)P338.C only 0.000 apart, marking (T0339)P338.C as missing WARNING: atoms too close: (T0339)V193.C and (T0339)P338.C only 0.000 apart, marking (T0339)P338.C as missing WARNING: atoms too close: (T0339)R192.C and (T0339)P338.C only 0.000 apart, marking (T0339)P338.C as missing WARNING: atoms too close: (T0339)E191.C and (T0339)P338.C only 0.000 apart, marking (T0339)P338.C as missing WARNING: atoms too close: (T0339)Q190.C and (T0339)P338.C only 0.000 apart, marking (T0339)P338.C as missing WARNING: atoms too close: (T0339)P139.C and (T0339)P338.C only 0.000 apart, marking (T0339)P338.C as missing WARNING: atoms too close: (T0339)V128.C and (T0339)P338.C only 0.000 apart, marking (T0339)P338.C as missing WARNING: atoms too close: (T0339)G105.C and (T0339)P338.C only 0.000 apart, marking (T0339)P338.C as missing WARNING: atoms too close: (T0339)K104.C and (T0339)P338.C only 0.000 apart, marking (T0339)P338.C as missing WARNING: atoms too close: (T0339)V103.C and (T0339)P338.C only 0.000 apart, marking (T0339)P338.C as missing WARNING: atoms too close: (T0339)P102.C and (T0339)P338.C only 0.000 apart, marking (T0339)P338.C as missing WARNING: atoms too close: (T0339)S101.C and (T0339)P338.C only 0.000 apart, marking (T0339)P338.C as missing WARNING: atoms too close: (T0339)H100.C and (T0339)P338.C only 0.000 apart, marking (T0339)P338.C as missing WARNING: atoms too close: (T0339)H99.C and (T0339)P338.C only 0.000 apart, marking (T0339)P338.C as missing WARNING: atoms too close: (T0339)G98.C and (T0339)P338.C only 0.000 apart, marking (T0339)P338.C as missing WARNING: atoms too close: (T0339)G97.C and (T0339)P338.C only 0.000 apart, marking (T0339)P338.C as missing WARNING: atoms too close: (T0339)T96.C and (T0339)P338.C only 0.000 apart, marking (T0339)P338.C as missing WARNING: atoms too close: (T0339)H95.C and (T0339)P338.C only 0.000 apart, marking (T0339)P338.C as missing WARNING: atoms too close: (T0339)G94.C and (T0339)P338.C only 0.000 apart, marking (T0339)P338.C as missing WARNING: atoms too close: (T0339)K93.C and (T0339)P338.C only 0.000 apart, marking (T0339)P338.C as missing WARNING: atoms too close: (T0339)S92.C and (T0339)P338.C only 0.000 apart, marking (T0339)P338.C as missing WARNING: atoms too close: (T0339)T91.C and (T0339)P338.C only 0.000 apart, marking (T0339)P338.C as missing WARNING: atoms too close: (T0339)Q90.C and (T0339)P338.C only 0.000 apart, marking (T0339)P338.C as missing WARNING: atoms too close: (T0339)N89.C and (T0339)P338.C only 0.000 apart, marking (T0339)P338.C as missing WARNING: atoms too close: (T0339)P338.N and (T0339)D363.N only 0.000 apart, marking (T0339)P338.N as missing WARNING: atoms too close: (T0339)G337.N and (T0339)D363.N only 0.000 apart, marking (T0339)G337.N as missing WARNING: atoms too close: (T0339)G323.N and (T0339)D363.N only 0.000 apart, marking (T0339)G323.N as missing WARNING: atoms too close: (T0339)P322.N and (T0339)D363.N only 0.000 apart, marking (T0339)P322.N as missing WARNING: atoms too close: (T0339)F310.N and (T0339)D363.N only 0.000 apart, marking (T0339)F310.N as missing WARNING: atoms too close: (T0339)E309.N and (T0339)D363.N only 0.000 apart, marking (T0339)E309.N as missing WARNING: atoms too close: (T0339)A308.N and (T0339)D363.N only 0.000 apart, marking (T0339)A308.N as missing WARNING: atoms too close: (T0339)P250.N and (T0339)D363.N only 0.000 apart, marking (T0339)P250.N as missing WARNING: atoms too close: (T0339)P199.N and (T0339)D363.N only 0.000 apart, marking (T0339)P199.N as missing WARNING: atoms too close: (T0339)P198.N and (T0339)D363.N only 0.000 apart, marking (T0339)P198.N as missing WARNING: atoms too close: (T0339)L197.N and (T0339)D363.N only 0.000 apart, marking (T0339)L197.N as missing WARNING: atoms too close: (T0339)G196.N and (T0339)D363.N only 0.000 apart, marking (T0339)G196.N as missing WARNING: atoms too close: (T0339)A195.N and (T0339)D363.N only 0.000 apart, marking (T0339)A195.N as missing WARNING: atoms too close: (T0339)A194.N and (T0339)D363.N only 0.000 apart, marking (T0339)A194.N as missing WARNING: atoms too close: (T0339)V193.N and (T0339)D363.N only 0.000 apart, marking (T0339)V193.N as missing WARNING: atoms too close: (T0339)R192.N and (T0339)D363.N only 0.000 apart, marking (T0339)R192.N as missing WARNING: atoms too close: (T0339)E191.N and (T0339)D363.N only 0.000 apart, marking (T0339)E191.N as missing WARNING: atoms too close: (T0339)Q190.N and (T0339)D363.N only 0.000 apart, marking (T0339)Q190.N as missing WARNING: atoms too close: (T0339)P139.N and (T0339)D363.N only 0.000 apart, marking (T0339)P139.N as missing WARNING: atoms too close: (T0339)V128.N and (T0339)D363.N only 0.000 apart, marking (T0339)V128.N as missing WARNING: atoms too close: (T0339)G105.N and (T0339)D363.N only 0.000 apart, marking (T0339)G105.N as missing WARNING: atoms too close: (T0339)K104.N and (T0339)D363.N only 0.000 apart, marking (T0339)K104.N as missing WARNING: atoms too close: (T0339)V103.N and (T0339)D363.N only 0.000 apart, marking (T0339)V103.N as missing WARNING: atoms too close: (T0339)P102.N and (T0339)D363.N only 0.000 apart, marking (T0339)P102.N as missing WARNING: atoms too close: (T0339)S101.N and (T0339)D363.N only 0.000 apart, marking (T0339)S101.N as missing WARNING: atoms too close: (T0339)H100.N and (T0339)D363.N only 0.000 apart, marking (T0339)H100.N as missing WARNING: atoms too close: (T0339)H99.N and (T0339)D363.N only 0.000 apart, marking (T0339)H99.N as missing WARNING: atoms too close: (T0339)G98.N and (T0339)D363.N only 0.000 apart, marking (T0339)G98.N as missing WARNING: atoms too close: (T0339)G97.N and (T0339)D363.N only 0.000 apart, marking (T0339)G97.N as missing WARNING: atoms too close: (T0339)T96.N and (T0339)D363.N only 0.000 apart, marking (T0339)T96.N as missing WARNING: atoms too close: (T0339)H95.N and (T0339)D363.N only 0.000 apart, marking (T0339)H95.N as missing WARNING: atoms too close: (T0339)G94.N and (T0339)D363.N only 0.000 apart, marking (T0339)G94.N as missing WARNING: atoms too close: (T0339)K93.N and (T0339)D363.N only 0.000 apart, marking (T0339)K93.N as missing WARNING: atoms too close: (T0339)S92.N and (T0339)D363.N only 0.000 apart, marking (T0339)S92.N as missing WARNING: atoms too close: (T0339)T91.N and (T0339)D363.N only 0.000 apart, marking (T0339)T91.N as missing WARNING: atoms too close: (T0339)Q90.N and (T0339)D363.N only 0.000 apart, marking (T0339)Q90.N as missing WARNING: atoms too close: (T0339)N89.N and (T0339)D363.N only 0.000 apart, marking (T0339)D363.N as missing WARNING: atoms too close: (T0339)P338.CA and (T0339)D363.CA only 0.000 apart, marking (T0339)D363.CA as missing WARNING: atoms too close: (T0339)G337.CA and (T0339)D363.CA only 0.000 apart, marking (T0339)D363.CA as missing WARNING: atoms too close: (T0339)G323.CA and (T0339)D363.CA only 0.000 apart, marking (T0339)D363.CA as missing WARNING: atoms too close: (T0339)P322.CA and (T0339)D363.CA only 0.000 apart, marking (T0339)D363.CA as missing WARNING: atoms too close: (T0339)F310.CA and (T0339)D363.CA only 0.000 apart, marking (T0339)D363.CA as missing WARNING: atoms too close: (T0339)E309.CA and (T0339)D363.CA only 0.000 apart, marking (T0339)D363.CA as missing WARNING: atoms too close: (T0339)A308.CA and (T0339)D363.CA only 0.000 apart, marking (T0339)D363.CA as missing WARNING: atoms too close: (T0339)P250.CA and (T0339)D363.CA only 0.000 apart, marking (T0339)D363.CA as missing WARNING: atoms too close: (T0339)P199.CA and (T0339)D363.CA only 0.000 apart, marking (T0339)D363.CA as missing WARNING: atoms too close: (T0339)P198.CA and (T0339)D363.CA only 0.000 apart, marking (T0339)D363.CA as missing WARNING: atoms too close: (T0339)L197.CA and (T0339)D363.CA only 0.000 apart, marking (T0339)D363.CA as missing WARNING: atoms too close: (T0339)G196.CA and (T0339)D363.CA only 0.000 apart, marking (T0339)D363.CA as missing WARNING: atoms too close: (T0339)A195.CA and (T0339)D363.CA only 0.000 apart, marking (T0339)D363.CA as missing WARNING: atoms too close: (T0339)A194.CA and (T0339)D363.CA only 0.000 apart, marking (T0339)D363.CA as missing WARNING: atoms too close: (T0339)V193.CA and (T0339)D363.CA only 0.000 apart, marking (T0339)D363.CA as missing WARNING: atoms too close: (T0339)R192.CA and (T0339)D363.CA only 0.000 apart, marking (T0339)D363.CA as missing WARNING: atoms too close: (T0339)E191.CA and (T0339)D363.CA only 0.000 apart, marking (T0339)D363.CA as missing WARNING: atoms too close: (T0339)Q190.CA and (T0339)D363.CA only 0.000 apart, marking (T0339)D363.CA as missing WARNING: atoms too close: (T0339)P139.CA and (T0339)D363.CA only 0.000 apart, marking (T0339)D363.CA as missing WARNING: atoms too close: (T0339)V128.CA and (T0339)D363.CA only 0.000 apart, marking (T0339)D363.CA as missing WARNING: atoms too close: (T0339)G105.CA and (T0339)D363.CA only 0.000 apart, marking (T0339)D363.CA as missing WARNING: atoms too close: (T0339)K104.CA and (T0339)D363.CA only 0.000 apart, marking (T0339)D363.CA as missing WARNING: atoms too close: (T0339)V103.CA and (T0339)D363.CA only 0.000 apart, marking (T0339)D363.CA as missing WARNING: atoms too close: (T0339)P102.CA and (T0339)D363.CA only 0.000 apart, marking (T0339)D363.CA as missing WARNING: atoms too close: (T0339)S101.CA and (T0339)D363.CA only 0.000 apart, marking (T0339)D363.CA as missing WARNING: atoms too close: (T0339)H100.CA and (T0339)D363.CA only 0.000 apart, marking (T0339)D363.CA as missing WARNING: atoms too close: (T0339)H99.CA and (T0339)D363.CA only 0.000 apart, marking (T0339)D363.CA as missing WARNING: atoms too close: (T0339)G98.CA and (T0339)D363.CA only 0.000 apart, marking (T0339)D363.CA as missing WARNING: atoms too close: (T0339)G97.CA and (T0339)D363.CA only 0.000 apart, marking (T0339)D363.CA as missing WARNING: atoms too close: (T0339)T96.CA and (T0339)D363.CA only 0.000 apart, marking (T0339)D363.CA as missing WARNING: atoms too close: (T0339)H95.CA and (T0339)D363.CA only 0.000 apart, marking (T0339)D363.CA as missing WARNING: atoms too close: (T0339)G94.CA and (T0339)D363.CA only 0.000 apart, marking (T0339)D363.CA as missing WARNING: atoms too close: (T0339)K93.CA and (T0339)D363.CA only 0.000 apart, marking (T0339)D363.CA as missing WARNING: atoms too close: (T0339)S92.CA and (T0339)D363.CA only 0.000 apart, marking (T0339)D363.CA as missing WARNING: atoms too close: (T0339)T91.CA and (T0339)D363.CA only 0.000 apart, marking (T0339)D363.CA as missing WARNING: atoms too close: (T0339)Q90.CA and (T0339)D363.CA only 0.000 apart, marking (T0339)D363.CA as missing WARNING: atoms too close: (T0339)N89.CA and (T0339)D363.CA only 0.000 apart, marking (T0339)D363.CA as missing WARNING: atoms too close: (T0339)P338.CB and (T0339)D363.CB only 0.000 apart, marking (T0339)D363.CB as missing WARNING: atoms too close: (T0339)P322.CB and (T0339)D363.CB only 0.000 apart, marking (T0339)D363.CB as missing WARNING: atoms too close: (T0339)F310.CB and (T0339)D363.CB only 0.000 apart, marking (T0339)D363.CB as missing WARNING: atoms too close: (T0339)E309.CB and (T0339)D363.CB only 0.000 apart, marking (T0339)D363.CB as missing WARNING: atoms too close: (T0339)A308.CB and (T0339)D363.CB only 0.000 apart, marking (T0339)D363.CB as missing WARNING: atoms too close: (T0339)P250.CB and (T0339)D363.CB only 0.000 apart, marking (T0339)D363.CB as missing WARNING: atoms too close: (T0339)P199.CB and (T0339)D363.CB only 0.000 apart, marking (T0339)D363.CB as missing WARNING: atoms too close: (T0339)P198.CB and (T0339)D363.CB only 0.000 apart, marking (T0339)D363.CB as missing WARNING: atoms too close: (T0339)L197.CB and (T0339)D363.CB only 0.000 apart, marking (T0339)D363.CB as missing WARNING: atoms too close: (T0339)A195.CB and (T0339)D363.CB only 0.000 apart, marking (T0339)D363.CB as missing WARNING: atoms too close: (T0339)A194.CB and (T0339)D363.CB only 0.000 apart, marking (T0339)D363.CB as missing WARNING: atoms too close: (T0339)V193.CB and (T0339)D363.CB only 0.000 apart, marking (T0339)D363.CB as missing WARNING: atoms too close: (T0339)R192.CB and (T0339)D363.CB only 0.000 apart, marking (T0339)D363.CB as missing WARNING: atoms too close: (T0339)E191.CB and (T0339)D363.CB only 0.000 apart, marking (T0339)D363.CB as missing WARNING: atoms too close: (T0339)Q190.CB and (T0339)D363.CB only 0.000 apart, marking (T0339)D363.CB as missing WARNING: atoms too close: (T0339)P139.CB and (T0339)D363.CB only 0.000 apart, marking (T0339)D363.CB as missing WARNING: atoms too close: (T0339)V128.CB and (T0339)D363.CB only 0.000 apart, marking (T0339)D363.CB as missing WARNING: atoms too close: (T0339)K104.CB and (T0339)D363.CB only 0.000 apart, marking (T0339)D363.CB as missing WARNING: atoms too close: (T0339)V103.CB and (T0339)D363.CB only 0.000 apart, marking (T0339)D363.CB as missing WARNING: atoms too close: (T0339)P102.CB and (T0339)D363.CB only 0.000 apart, marking (T0339)D363.CB as missing WARNING: atoms too close: (T0339)S101.CB and (T0339)D363.CB only 0.000 apart, marking (T0339)D363.CB as missing WARNING: atoms too close: (T0339)H100.CB and (T0339)D363.CB only 0.000 apart, marking (T0339)D363.CB as missing WARNING: atoms too close: (T0339)H99.CB and (T0339)D363.CB only 0.000 apart, marking (T0339)D363.CB as missing WARNING: atoms too close: (T0339)T96.CB and (T0339)D363.CB only 0.000 apart, marking (T0339)D363.CB as missing WARNING: atoms too close: (T0339)H95.CB and (T0339)D363.CB only 0.000 apart, marking (T0339)D363.CB as missing WARNING: atoms too close: (T0339)K93.CB and (T0339)D363.CB only 0.000 apart, marking (T0339)D363.CB as missing WARNING: atoms too close: (T0339)S92.CB and (T0339)D363.CB only 0.000 apart, marking (T0339)D363.CB as missing WARNING: atoms too close: (T0339)T91.CB and (T0339)D363.CB only 0.000 apart, marking (T0339)D363.CB as missing WARNING: atoms too close: (T0339)Q90.CB and (T0339)D363.CB only 0.000 apart, marking (T0339)D363.CB as missing WARNING: atoms too close: (T0339)N89.CB and (T0339)D363.CB only 0.000 apart, marking (T0339)D363.CB as missing WARNING: atoms too close: (T0339)P338.O and (T0339)D363.O only 0.000 apart, marking (T0339)D363.O as missing WARNING: atoms too close: (T0339)G337.O and (T0339)D363.O only 0.000 apart, marking (T0339)D363.O as missing WARNING: atoms too close: (T0339)G323.O and (T0339)D363.O only 0.000 apart, marking (T0339)D363.O as missing WARNING: atoms too close: (T0339)P322.O and (T0339)D363.O only 0.000 apart, marking (T0339)D363.O as missing WARNING: atoms too close: (T0339)F310.O and (T0339)D363.O only 0.000 apart, marking (T0339)D363.O as missing WARNING: atoms too close: (T0339)E309.O and (T0339)D363.O only 0.000 apart, marking (T0339)D363.O as missing WARNING: atoms too close: (T0339)A308.O and (T0339)D363.O only 0.000 apart, marking (T0339)D363.O as missing WARNING: atoms too close: (T0339)P250.O and (T0339)D363.O only 0.000 apart, marking (T0339)D363.O as missing WARNING: atoms too close: (T0339)P199.O and (T0339)D363.O only 0.000 apart, marking (T0339)D363.O as missing WARNING: atoms too close: (T0339)P198.O and (T0339)D363.O only 0.000 apart, marking (T0339)D363.O as missing WARNING: atoms too close: (T0339)L197.O and (T0339)D363.O only 0.000 apart, marking (T0339)D363.O as missing WARNING: atoms too close: (T0339)G196.O and (T0339)D363.O only 0.000 apart, marking (T0339)D363.O as missing WARNING: atoms too close: (T0339)A195.O and (T0339)D363.O only 0.000 apart, marking (T0339)D363.O as missing WARNING: atoms too close: (T0339)A194.O and (T0339)D363.O only 0.000 apart, marking (T0339)D363.O as missing WARNING: atoms too close: (T0339)V193.O and (T0339)D363.O only 0.000 apart, marking (T0339)D363.O as missing WARNING: atoms too close: (T0339)R192.O and (T0339)D363.O only 0.000 apart, marking (T0339)D363.O as missing WARNING: atoms too close: (T0339)E191.O and (T0339)D363.O only 0.000 apart, marking (T0339)D363.O as missing WARNING: atoms too close: (T0339)Q190.O and (T0339)D363.O only 0.000 apart, marking (T0339)D363.O as missing WARNING: atoms too close: (T0339)P139.O and (T0339)D363.O only 0.000 apart, marking (T0339)D363.O as missing WARNING: atoms too close: (T0339)V128.O and (T0339)D363.O only 0.000 apart, marking (T0339)D363.O as missing WARNING: atoms too close: (T0339)G105.O and (T0339)D363.O only 0.000 apart, marking (T0339)D363.O as missing WARNING: atoms too close: (T0339)K104.O and (T0339)D363.O only 0.000 apart, marking (T0339)D363.O as missing WARNING: atoms too close: (T0339)V103.O and (T0339)D363.O only 0.000 apart, marking (T0339)D363.O as missing WARNING: atoms too close: (T0339)P102.O and (T0339)D363.O only 0.000 apart, marking (T0339)D363.O as missing WARNING: atoms too close: (T0339)S101.O and (T0339)D363.O only 0.000 apart, marking (T0339)D363.O as missing WARNING: atoms too close: (T0339)H100.O and (T0339)D363.O only 0.000 apart, marking (T0339)D363.O as missing WARNING: atoms too close: (T0339)H99.O and (T0339)D363.O only 0.000 apart, marking (T0339)D363.O as missing WARNING: atoms too close: (T0339)G98.O and (T0339)D363.O only 0.000 apart, marking (T0339)D363.O as missing WARNING: atoms too close: (T0339)G97.O and (T0339)D363.O only 0.000 apart, marking (T0339)D363.O as missing WARNING: atoms too close: (T0339)T96.O and (T0339)D363.O only 0.000 apart, marking (T0339)D363.O as missing WARNING: atoms too close: (T0339)H95.O and (T0339)D363.O only 0.000 apart, marking (T0339)D363.O as missing WARNING: atoms too close: (T0339)G94.O and (T0339)D363.O only 0.000 apart, marking (T0339)D363.O as missing WARNING: atoms too close: (T0339)K93.O and (T0339)D363.O only 0.000 apart, marking (T0339)D363.O as missing WARNING: atoms too close: (T0339)S92.O and (T0339)D363.O only 0.000 apart, marking (T0339)D363.O as missing WARNING: atoms too close: (T0339)T91.O and (T0339)D363.O only 0.000 apart, marking (T0339)D363.O as missing WARNING: atoms too close: (T0339)Q90.O and (T0339)D363.O only 0.000 apart, marking (T0339)D363.O as missing WARNING: atoms too close: (T0339)N89.O and (T0339)D363.O only 0.000 apart, marking (T0339)D363.O as missing WARNING: atoms too close: (T0339)P338.C and (T0339)D363.C only 0.000 apart, marking (T0339)D363.C as missing WARNING: atoms too close: (T0339)G337.C and (T0339)D363.C only 0.000 apart, marking (T0339)D363.C as missing WARNING: atoms too close: (T0339)G323.C and (T0339)D363.C only 0.000 apart, marking (T0339)D363.C as missing WARNING: atoms too close: (T0339)P322.C and (T0339)D363.C only 0.000 apart, marking (T0339)D363.C as missing WARNING: atoms too close: (T0339)F310.C and (T0339)D363.C only 0.000 apart, marking (T0339)D363.C as missing WARNING: atoms too close: (T0339)E309.C and (T0339)D363.C only 0.000 apart, marking (T0339)D363.C as missing WARNING: atoms too close: (T0339)A308.C and (T0339)D363.C only 0.000 apart, marking (T0339)D363.C as missing WARNING: atoms too close: (T0339)P250.C and (T0339)D363.C only 0.000 apart, marking (T0339)D363.C as missing WARNING: atoms too close: (T0339)P199.C and (T0339)D363.C only 0.000 apart, marking (T0339)D363.C as missing WARNING: atoms too close: (T0339)P198.C and (T0339)D363.C only 0.000 apart, marking (T0339)D363.C as missing WARNING: atoms too close: (T0339)L197.C and (T0339)D363.C only 0.000 apart, marking (T0339)D363.C as missing WARNING: atoms too close: (T0339)G196.C and (T0339)D363.C only 0.000 apart, marking (T0339)D363.C as missing WARNING: atoms too close: (T0339)A195.C and (T0339)D363.C only 0.000 apart, marking (T0339)D363.C as missing WARNING: atoms too close: (T0339)A194.C and (T0339)D363.C only 0.000 apart, marking (T0339)D363.C as missing WARNING: atoms too close: (T0339)V193.C and (T0339)D363.C only 0.000 apart, marking (T0339)D363.C as missing WARNING: atoms too close: (T0339)R192.C and (T0339)D363.C only 0.000 apart, marking (T0339)D363.C as missing WARNING: atoms too close: (T0339)E191.C and (T0339)D363.C only 0.000 apart, marking (T0339)D363.C as missing WARNING: atoms too close: (T0339)Q190.C and (T0339)D363.C only 0.000 apart, marking (T0339)D363.C as missing WARNING: atoms too close: (T0339)P139.C and (T0339)D363.C only 0.000 apart, marking (T0339)D363.C as missing WARNING: atoms too close: (T0339)V128.C and (T0339)D363.C only 0.000 apart, marking (T0339)D363.C as missing WARNING: atoms too close: (T0339)G105.C and (T0339)D363.C only 0.000 apart, marking (T0339)D363.C as missing WARNING: atoms too close: (T0339)K104.C and (T0339)D363.C only 0.000 apart, marking (T0339)D363.C as missing WARNING: atoms too close: (T0339)V103.C and (T0339)D363.C only 0.000 apart, marking (T0339)D363.C as missing WARNING: atoms too close: (T0339)P102.C and (T0339)D363.C only 0.000 apart, marking (T0339)D363.C as missing WARNING: atoms too close: (T0339)S101.C and (T0339)D363.C only 0.000 apart, marking (T0339)D363.C as missing WARNING: atoms too close: (T0339)H100.C and (T0339)D363.C only 0.000 apart, marking (T0339)D363.C as missing WARNING: atoms too close: (T0339)H99.C and (T0339)D363.C only 0.000 apart, marking (T0339)D363.C as missing WARNING: atoms too close: (T0339)G98.C and (T0339)D363.C only 0.000 apart, marking (T0339)D363.C as missing WARNING: atoms too close: (T0339)G97.C and (T0339)D363.C only 0.000 apart, marking (T0339)D363.C as missing WARNING: atoms too close: (T0339)T96.C and (T0339)D363.C only 0.000 apart, marking (T0339)D363.C as missing WARNING: atoms too close: (T0339)H95.C and (T0339)D363.C only 0.000 apart, marking (T0339)D363.C as missing WARNING: atoms too close: (T0339)G94.C and (T0339)D363.C only 0.000 apart, marking (T0339)D363.C as missing WARNING: atoms too close: (T0339)K93.C and (T0339)D363.C only 0.000 apart, marking (T0339)D363.C as missing WARNING: atoms too close: (T0339)S92.C and (T0339)D363.C only 0.000 apart, marking (T0339)D363.C as missing WARNING: atoms too close: (T0339)T91.C and (T0339)D363.C only 0.000 apart, marking (T0339)D363.C as missing WARNING: atoms too close: (T0339)Q90.C and (T0339)D363.C only 0.000 apart, marking (T0339)D363.C as missing WARNING: atoms too close: (T0339)N89.C and (T0339)D363.C only 0.000 apart, marking (T0339)D363.C as missing # WARNING: incomplete conformation T0339 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # ReadConformPDB reading from PDB file servers/panther3_TS1.pdb.gz looking for model 1 WARNING: atoms too close: (T0339)Q90.N and (T0339)T91.N only 0.000 apart, marking (T0339)T91.N as missing WARNING: atoms too close: (T0339)Q90.CA and (T0339)T91.CA only 0.000 apart, marking (T0339)T91.CA as missing WARNING: atoms too close: (T0339)Q90.CB and (T0339)T91.CB only 0.000 apart, marking (T0339)T91.CB as missing WARNING: atoms too close: (T0339)Q90.O and (T0339)T91.O only 0.000 apart, marking (T0339)T91.O as missing WARNING: atoms too close: (T0339)Q90.C and (T0339)T91.C only 0.000 apart, marking (T0339)T91.C as missing WARNING: atoms too close: (T0339)T91.N and (T0339)S92.N only 0.000 apart, marking (T0339)T91.N as missing WARNING: atoms too close: (T0339)Q90.N and (T0339)S92.N only 0.000 apart, marking (T0339)S92.N as missing WARNING: atoms too close: (T0339)T91.CA and (T0339)S92.CA only 0.000 apart, marking (T0339)S92.CA as missing WARNING: atoms too close: (T0339)Q90.CA and (T0339)S92.CA only 0.000 apart, marking (T0339)S92.CA as missing WARNING: atoms too close: (T0339)T91.CB and (T0339)S92.CB only 0.000 apart, marking (T0339)S92.CB as missing WARNING: atoms too close: (T0339)Q90.CB and (T0339)S92.CB only 0.000 apart, marking (T0339)S92.CB as missing WARNING: atoms too close: (T0339)T91.O and (T0339)S92.O only 0.000 apart, marking (T0339)S92.O as missing WARNING: atoms too close: (T0339)Q90.O and (T0339)S92.O only 0.000 apart, marking (T0339)S92.O as missing WARNING: atoms too close: (T0339)T91.C and (T0339)S92.C only 0.000 apart, marking (T0339)S92.C as missing WARNING: atoms too close: (T0339)Q90.C and (T0339)S92.C only 0.000 apart, marking (T0339)S92.C as missing WARNING: atoms too close: (T0339)S92.N and (T0339)K93.N only 0.000 apart, marking (T0339)S92.N as missing WARNING: atoms too close: (T0339)T91.N and (T0339)K93.N only 0.000 apart, marking (T0339)T91.N as missing WARNING: atoms too close: (T0339)Q90.N and (T0339)K93.N only 0.000 apart, marking (T0339)K93.N as missing WARNING: atoms too close: (T0339)S92.CA and (T0339)K93.CA only 0.000 apart, marking (T0339)K93.CA as missing WARNING: atoms too close: (T0339)T91.CA and (T0339)K93.CA only 0.000 apart, marking (T0339)K93.CA as missing WARNING: atoms too close: (T0339)Q90.CA and (T0339)K93.CA only 0.000 apart, marking (T0339)K93.CA as missing WARNING: atoms too close: (T0339)S92.CB and (T0339)K93.CB only 0.000 apart, marking (T0339)K93.CB as missing WARNING: atoms too close: (T0339)T91.CB and (T0339)K93.CB only 0.000 apart, marking (T0339)K93.CB as missing WARNING: atoms too close: (T0339)Q90.CB and (T0339)K93.CB only 0.000 apart, marking (T0339)K93.CB as missing WARNING: atoms too close: (T0339)S92.O and (T0339)K93.O only 0.000 apart, marking (T0339)K93.O as missing WARNING: atoms too close: (T0339)T91.O and (T0339)K93.O only 0.000 apart, marking (T0339)K93.O as missing WARNING: atoms too close: (T0339)Q90.O and (T0339)K93.O only 0.000 apart, marking (T0339)K93.O as missing WARNING: atoms too close: (T0339)S92.C and (T0339)K93.C only 0.000 apart, marking (T0339)K93.C as missing WARNING: atoms too close: (T0339)T91.C and (T0339)K93.C only 0.000 apart, marking (T0339)K93.C as missing WARNING: atoms too close: (T0339)Q90.C and (T0339)K93.C only 0.000 apart, marking (T0339)K93.C as missing WARNING: atoms too close: (T0339)K93.N and (T0339)G94.N only 0.000 apart, marking (T0339)K93.N as missing WARNING: atoms too close: (T0339)S92.N and (T0339)G94.N only 0.000 apart, marking (T0339)S92.N as missing WARNING: atoms too close: (T0339)T91.N and (T0339)G94.N only 0.000 apart, marking (T0339)T91.N as missing WARNING: atoms too close: (T0339)Q90.N and (T0339)G94.N only 0.000 apart, marking (T0339)G94.N as missing WARNING: atoms too close: (T0339)K93.CA and (T0339)G94.CA only 0.000 apart, marking (T0339)G94.CA as missing WARNING: atoms too close: (T0339)S92.CA and (T0339)G94.CA only 0.000 apart, marking (T0339)G94.CA as missing WARNING: atoms too close: (T0339)T91.CA and (T0339)G94.CA only 0.000 apart, marking (T0339)G94.CA as missing WARNING: atoms too close: (T0339)Q90.CA and (T0339)G94.CA only 0.000 apart, marking (T0339)G94.CA as missing WARNING: atoms too close: (T0339)K93.O and (T0339)G94.O only 0.000 apart, marking (T0339)G94.O as missing WARNING: atoms too close: (T0339)S92.O and (T0339)G94.O only 0.000 apart, marking (T0339)G94.O as missing WARNING: atoms too close: (T0339)T91.O and (T0339)G94.O only 0.000 apart, marking (T0339)G94.O as missing WARNING: atoms too close: (T0339)Q90.O and (T0339)G94.O only 0.000 apart, marking (T0339)G94.O as missing WARNING: atoms too close: (T0339)K93.C and (T0339)G94.C only 0.000 apart, marking (T0339)G94.C as missing WARNING: atoms too close: (T0339)S92.C and (T0339)G94.C only 0.000 apart, marking (T0339)G94.C as missing WARNING: atoms too close: (T0339)T91.C and (T0339)G94.C only 0.000 apart, marking (T0339)G94.C as missing WARNING: atoms too close: (T0339)Q90.C and (T0339)G94.C only 0.000 apart, marking (T0339)G94.C as missing WARNING: atoms too close: (T0339)G94.N and (T0339)H95.N only 0.000 apart, marking (T0339)G94.N as missing WARNING: atoms too close: (T0339)K93.N and (T0339)H95.N only 0.000 apart, marking (T0339)K93.N as missing WARNING: atoms too close: (T0339)S92.N and (T0339)H95.N only 0.000 apart, marking (T0339)S92.N as missing WARNING: atoms too close: (T0339)T91.N and (T0339)H95.N only 0.000 apart, marking (T0339)T91.N as missing WARNING: atoms too close: (T0339)Q90.N and (T0339)H95.N only 0.000 apart, marking (T0339)H95.N as missing WARNING: atoms too close: (T0339)G94.CA and (T0339)H95.CA only 0.000 apart, marking (T0339)H95.CA as missing WARNING: atoms too close: (T0339)K93.CA and (T0339)H95.CA only 0.000 apart, marking (T0339)H95.CA as missing WARNING: atoms too close: (T0339)S92.CA and (T0339)H95.CA only 0.000 apart, marking (T0339)H95.CA as missing WARNING: atoms too close: (T0339)T91.CA and (T0339)H95.CA only 0.000 apart, marking (T0339)H95.CA as missing WARNING: atoms too close: (T0339)Q90.CA and (T0339)H95.CA only 0.000 apart, marking (T0339)H95.CA as missing WARNING: atoms too close: (T0339)K93.CB and (T0339)H95.CB only 0.000 apart, marking (T0339)H95.CB as missing WARNING: atoms too close: (T0339)S92.CB and (T0339)H95.CB only 0.000 apart, marking (T0339)H95.CB as missing WARNING: atoms too close: (T0339)T91.CB and (T0339)H95.CB only 0.000 apart, marking (T0339)H95.CB as missing WARNING: atoms too close: (T0339)Q90.CB and (T0339)H95.CB only 0.000 apart, marking (T0339)H95.CB as missing WARNING: atoms too close: (T0339)G94.O and (T0339)H95.O only 0.000 apart, marking (T0339)H95.O as missing WARNING: atoms too close: (T0339)K93.O and (T0339)H95.O only 0.000 apart, marking (T0339)H95.O as missing WARNING: atoms too close: (T0339)S92.O and (T0339)H95.O only 0.000 apart, marking (T0339)H95.O as missing WARNING: atoms too close: (T0339)T91.O and (T0339)H95.O only 0.000 apart, marking (T0339)H95.O as missing WARNING: atoms too close: (T0339)Q90.O and (T0339)H95.O only 0.000 apart, marking (T0339)H95.O as missing WARNING: atoms too close: (T0339)G94.C and (T0339)H95.C only 0.000 apart, marking (T0339)H95.C as missing WARNING: atoms too close: (T0339)K93.C and (T0339)H95.C only 0.000 apart, marking (T0339)H95.C as missing WARNING: atoms too close: (T0339)S92.C and (T0339)H95.C only 0.000 apart, marking (T0339)H95.C as missing WARNING: atoms too close: (T0339)T91.C and (T0339)H95.C only 0.000 apart, marking (T0339)H95.C as missing WARNING: atoms too close: (T0339)Q90.C and (T0339)H95.C only 0.000 apart, marking (T0339)H95.C as missing WARNING: atoms too close: (T0339)H95.N and (T0339)T96.N only 0.000 apart, marking (T0339)H95.N as missing WARNING: atoms too close: (T0339)G94.N and (T0339)T96.N only 0.000 apart, marking (T0339)G94.N as missing WARNING: atoms too close: (T0339)K93.N and (T0339)T96.N only 0.000 apart, marking (T0339)K93.N as missing WARNING: atoms too close: (T0339)S92.N and (T0339)T96.N only 0.000 apart, marking (T0339)S92.N as missing WARNING: atoms too close: (T0339)T91.N and (T0339)T96.N only 0.000 apart, marking (T0339)T91.N as missing WARNING: atoms too close: (T0339)Q90.N and (T0339)T96.N only 0.000 apart, marking (T0339)T96.N as missing WARNING: atoms too close: (T0339)H95.CA and (T0339)T96.CA only 0.000 apart, marking (T0339)T96.CA as missing WARNING: atoms too close: (T0339)G94.CA and (T0339)T96.CA only 0.000 apart, marking (T0339)T96.CA as missing WARNING: atoms too close: (T0339)K93.CA and (T0339)T96.CA only 0.000 apart, marking (T0339)T96.CA as missing WARNING: atoms too close: (T0339)S92.CA and (T0339)T96.CA only 0.000 apart, marking (T0339)T96.CA as missing WARNING: atoms too close: (T0339)T91.CA and (T0339)T96.CA only 0.000 apart, marking (T0339)T96.CA as missing WARNING: atoms too close: (T0339)Q90.CA and (T0339)T96.CA only 0.000 apart, marking (T0339)T96.CA as missing WARNING: atoms too close: (T0339)H95.CB and (T0339)T96.CB only 0.000 apart, marking (T0339)T96.CB as missing WARNING: atoms too close: (T0339)K93.CB and (T0339)T96.CB only 0.000 apart, marking (T0339)T96.CB as missing WARNING: atoms too close: (T0339)S92.CB and (T0339)T96.CB only 0.000 apart, marking (T0339)T96.CB as missing WARNING: atoms too close: (T0339)T91.CB and (T0339)T96.CB only 0.000 apart, marking (T0339)T96.CB as missing WARNING: atoms too close: (T0339)Q90.CB and (T0339)T96.CB only 0.000 apart, marking (T0339)T96.CB as missing WARNING: atoms too close: (T0339)H95.O and (T0339)T96.O only 0.000 apart, marking (T0339)T96.O as missing WARNING: atoms too close: (T0339)G94.O and (T0339)T96.O only 0.000 apart, marking (T0339)T96.O as missing WARNING: atoms too close: (T0339)K93.O and (T0339)T96.O only 0.000 apart, marking (T0339)T96.O as missing WARNING: atoms too close: (T0339)S92.O and (T0339)T96.O only 0.000 apart, marking (T0339)T96.O as missing WARNING: atoms too close: (T0339)T91.O and (T0339)T96.O only 0.000 apart, marking (T0339)T96.O as missing WARNING: atoms too close: (T0339)Q90.O and (T0339)T96.O only 0.000 apart, marking (T0339)T96.O as missing WARNING: atoms too close: (T0339)H95.C and (T0339)T96.C only 0.000 apart, marking (T0339)T96.C as missing WARNING: atoms too close: (T0339)G94.C and (T0339)T96.C only 0.000 apart, marking (T0339)T96.C as missing WARNING: atoms too close: (T0339)K93.C and (T0339)T96.C only 0.000 apart, marking (T0339)T96.C as missing WARNING: atoms too close: (T0339)S92.C and (T0339)T96.C only 0.000 apart, marking (T0339)T96.C as missing WARNING: atoms too close: (T0339)T91.C and (T0339)T96.C only 0.000 apart, marking (T0339)T96.C as missing WARNING: atoms too close: (T0339)Q90.C and (T0339)T96.C only 0.000 apart, marking (T0339)T96.C as missing WARNING: atoms too close: (T0339)T96.N and (T0339)G97.N only 0.000 apart, marking (T0339)T96.N as missing WARNING: atoms too close: (T0339)H95.N and (T0339)G97.N only 0.000 apart, marking (T0339)H95.N as missing WARNING: atoms too close: (T0339)G94.N and (T0339)G97.N only 0.000 apart, marking (T0339)G94.N as missing WARNING: atoms too close: (T0339)K93.N and (T0339)G97.N only 0.000 apart, marking (T0339)K93.N as missing WARNING: atoms too close: (T0339)S92.N and (T0339)G97.N only 0.000 apart, marking (T0339)S92.N as missing WARNING: atoms too close: (T0339)T91.N and (T0339)G97.N only 0.000 apart, marking (T0339)T91.N as missing WARNING: atoms too close: (T0339)Q90.N and (T0339)G97.N only 0.000 apart, marking (T0339)G97.N as missing WARNING: atoms too close: (T0339)T96.CA and (T0339)G97.CA only 0.000 apart, marking (T0339)G97.CA as missing WARNING: atoms too close: (T0339)H95.CA and (T0339)G97.CA only 0.000 apart, marking (T0339)G97.CA as missing WARNING: atoms too close: (T0339)G94.CA and (T0339)G97.CA only 0.000 apart, marking (T0339)G97.CA as missing WARNING: atoms too close: (T0339)K93.CA and (T0339)G97.CA only 0.000 apart, marking (T0339)G97.CA as missing WARNING: atoms too close: (T0339)S92.CA and (T0339)G97.CA only 0.000 apart, marking (T0339)G97.CA as missing WARNING: atoms too close: (T0339)T91.CA and (T0339)G97.CA only 0.000 apart, marking (T0339)G97.CA as missing WARNING: atoms too close: (T0339)Q90.CA and (T0339)G97.CA only 0.000 apart, marking (T0339)G97.CA as missing WARNING: atoms too close: (T0339)T96.O and (T0339)G97.O only 0.000 apart, marking (T0339)G97.O as missing WARNING: atoms too close: (T0339)H95.O and (T0339)G97.O only 0.000 apart, marking (T0339)G97.O as missing WARNING: atoms too close: (T0339)G94.O and (T0339)G97.O only 0.000 apart, marking (T0339)G97.O as missing WARNING: atoms too close: (T0339)K93.O and (T0339)G97.O only 0.000 apart, marking (T0339)G97.O as missing WARNING: atoms too close: (T0339)S92.O and (T0339)G97.O only 0.000 apart, marking (T0339)G97.O as missing WARNING: atoms too close: (T0339)T91.O and (T0339)G97.O only 0.000 apart, marking (T0339)G97.O as missing WARNING: atoms too close: (T0339)Q90.O and (T0339)G97.O only 0.000 apart, marking (T0339)G97.O as missing WARNING: atoms too close: (T0339)T96.C and (T0339)G97.C only 0.000 apart, marking (T0339)G97.C as missing WARNING: atoms too close: (T0339)H95.C and (T0339)G97.C only 0.000 apart, marking (T0339)G97.C as missing WARNING: atoms too close: (T0339)G94.C and (T0339)G97.C only 0.000 apart, marking (T0339)G97.C as missing WARNING: atoms too close: (T0339)K93.C and (T0339)G97.C only 0.000 apart, marking (T0339)G97.C as missing WARNING: atoms too close: (T0339)S92.C and (T0339)G97.C only 0.000 apart, marking (T0339)G97.C as missing WARNING: atoms too close: (T0339)T91.C and (T0339)G97.C only 0.000 apart, marking (T0339)G97.C as missing WARNING: atoms too close: (T0339)Q90.C and (T0339)G97.C only 0.000 apart, marking (T0339)G97.C as missing WARNING: atoms too close: (T0339)G97.N and (T0339)G98.N only 0.000 apart, marking (T0339)G97.N as missing WARNING: atoms too close: (T0339)T96.N and (T0339)G98.N only 0.000 apart, marking (T0339)T96.N as missing WARNING: atoms too close: (T0339)H95.N and (T0339)G98.N only 0.000 apart, marking (T0339)H95.N as missing WARNING: atoms too close: (T0339)G94.N and (T0339)G98.N only 0.000 apart, marking (T0339)G94.N as missing WARNING: atoms too close: (T0339)K93.N and (T0339)G98.N only 0.000 apart, marking (T0339)K93.N as missing WARNING: atoms too close: (T0339)S92.N and (T0339)G98.N only 0.000 apart, marking (T0339)S92.N as missing WARNING: atoms too close: (T0339)T91.N and (T0339)G98.N only 0.000 apart, marking (T0339)T91.N as missing WARNING: atoms too close: (T0339)Q90.N and (T0339)G98.N only 0.000 apart, marking (T0339)G98.N as missing WARNING: atoms too close: (T0339)G97.CA and (T0339)G98.CA only 0.000 apart, marking (T0339)G98.CA as missing WARNING: atoms too close: (T0339)T96.CA and (T0339)G98.CA only 0.000 apart, marking (T0339)G98.CA as missing WARNING: atoms too close: (T0339)H95.CA and (T0339)G98.CA only 0.000 apart, marking (T0339)G98.CA as missing WARNING: atoms too close: (T0339)G94.CA and (T0339)G98.CA only 0.000 apart, marking (T0339)G98.CA as missing WARNING: atoms too close: (T0339)K93.CA and (T0339)G98.CA only 0.000 apart, marking (T0339)G98.CA as missing WARNING: atoms too close: (T0339)S92.CA and (T0339)G98.CA only 0.000 apart, marking (T0339)G98.CA as missing WARNING: atoms too close: (T0339)T91.CA and (T0339)G98.CA only 0.000 apart, marking (T0339)G98.CA as missing WARNING: atoms too close: (T0339)Q90.CA and (T0339)G98.CA only 0.000 apart, marking (T0339)G98.CA as missing WARNING: atoms too close: (T0339)G97.O and (T0339)G98.O only 0.000 apart, marking (T0339)G98.O as missing WARNING: atoms too close: (T0339)T96.O and (T0339)G98.O only 0.000 apart, marking (T0339)G98.O as missing WARNING: atoms too close: (T0339)H95.O and (T0339)G98.O only 0.000 apart, marking (T0339)G98.O as missing WARNING: atoms too close: (T0339)G94.O and (T0339)G98.O only 0.000 apart, marking (T0339)G98.O as missing WARNING: atoms too close: (T0339)K93.O and (T0339)G98.O only 0.000 apart, marking (T0339)G98.O as missing WARNING: atoms too close: (T0339)S92.O and (T0339)G98.O only 0.000 apart, marking (T0339)G98.O as missing WARNING: atoms too close: (T0339)T91.O and (T0339)G98.O only 0.000 apart, marking (T0339)G98.O as missing WARNING: atoms too close: (T0339)Q90.O and (T0339)G98.O only 0.000 apart, marking (T0339)G98.O as missing WARNING: atoms too close: (T0339)G97.C and (T0339)G98.C only 0.000 apart, marking (T0339)G98.C as missing WARNING: atoms too close: (T0339)T96.C and (T0339)G98.C only 0.000 apart, marking (T0339)G98.C as missing WARNING: atoms too close: (T0339)H95.C and (T0339)G98.C only 0.000 apart, marking (T0339)G98.C as missing WARNING: atoms too close: (T0339)G94.C and (T0339)G98.C only 0.000 apart, marking (T0339)G98.C as missing WARNING: atoms too close: (T0339)K93.C and (T0339)G98.C only 0.000 apart, marking (T0339)G98.C as missing WARNING: atoms too close: (T0339)S92.C and (T0339)G98.C only 0.000 apart, marking (T0339)G98.C as missing WARNING: atoms too close: (T0339)T91.C and (T0339)G98.C only 0.000 apart, marking (T0339)G98.C as missing WARNING: atoms too close: (T0339)Q90.C and (T0339)G98.C only 0.000 apart, marking (T0339)G98.C as missing WARNING: atoms too close: (T0339)G98.N and (T0339)H99.N only 0.000 apart, marking (T0339)G98.N as missing WARNING: atoms too close: (T0339)G97.N and (T0339)H99.N only 0.000 apart, marking (T0339)G97.N as missing WARNING: atoms too close: (T0339)T96.N and (T0339)H99.N only 0.000 apart, marking (T0339)T96.N as missing WARNING: atoms too close: (T0339)H95.N and (T0339)H99.N only 0.000 apart, marking (T0339)H95.N as missing WARNING: atoms too close: (T0339)G94.N and (T0339)H99.N only 0.000 apart, marking (T0339)G94.N as missing WARNING: atoms too close: (T0339)K93.N and (T0339)H99.N only 0.000 apart, marking (T0339)K93.N as missing WARNING: atoms too close: (T0339)S92.N and (T0339)H99.N only 0.000 apart, marking (T0339)S92.N as missing WARNING: atoms too close: (T0339)T91.N and (T0339)H99.N only 0.000 apart, marking (T0339)T91.N as missing WARNING: atoms too close: (T0339)Q90.N and (T0339)H99.N only 0.000 apart, marking (T0339)H99.N as missing WARNING: atoms too close: (T0339)G98.CA and (T0339)H99.CA only 0.000 apart, marking (T0339)H99.CA as missing WARNING: atoms too close: (T0339)G97.CA and (T0339)H99.CA only 0.000 apart, marking (T0339)H99.CA as missing WARNING: atoms too close: (T0339)T96.CA and (T0339)H99.CA only 0.000 apart, marking (T0339)H99.CA as missing WARNING: atoms too close: (T0339)H95.CA and (T0339)H99.CA only 0.000 apart, marking (T0339)H99.CA as missing WARNING: atoms too close: (T0339)G94.CA and (T0339)H99.CA only 0.000 apart, marking (T0339)H99.CA as missing WARNING: atoms too close: (T0339)K93.CA and (T0339)H99.CA only 0.000 apart, marking (T0339)H99.CA as missing WARNING: atoms too close: (T0339)S92.CA and (T0339)H99.CA only 0.000 apart, marking (T0339)H99.CA as missing WARNING: atoms too close: (T0339)T91.CA and (T0339)H99.CA only 0.000 apart, marking (T0339)H99.CA as missing WARNING: atoms too close: (T0339)Q90.CA and (T0339)H99.CA only 0.000 apart, marking (T0339)H99.CA as missing WARNING: atoms too close: (T0339)T96.CB and (T0339)H99.CB only 0.000 apart, marking (T0339)H99.CB as missing WARNING: atoms too close: (T0339)H95.CB and (T0339)H99.CB only 0.000 apart, marking (T0339)H99.CB as missing WARNING: atoms too close: (T0339)K93.CB and (T0339)H99.CB only 0.000 apart, marking (T0339)H99.CB as missing WARNING: atoms too close: (T0339)S92.CB and (T0339)H99.CB only 0.000 apart, marking (T0339)H99.CB as missing WARNING: atoms too close: (T0339)T91.CB and (T0339)H99.CB only 0.000 apart, marking (T0339)H99.CB as missing WARNING: atoms too close: (T0339)Q90.CB and (T0339)H99.CB only 0.000 apart, marking (T0339)H99.CB as missing WARNING: atoms too close: (T0339)G98.O and (T0339)H99.O only 0.000 apart, marking (T0339)H99.O as missing WARNING: atoms too close: (T0339)G97.O and (T0339)H99.O only 0.000 apart, marking (T0339)H99.O as missing WARNING: atoms too close: (T0339)T96.O and (T0339)H99.O only 0.000 apart, marking (T0339)H99.O as missing WARNING: atoms too close: (T0339)H95.O and (T0339)H99.O only 0.000 apart, marking (T0339)H99.O as missing WARNING: atoms too close: (T0339)G94.O and (T0339)H99.O only 0.000 apart, marking (T0339)H99.O as missing WARNING: atoms too close: (T0339)K93.O and (T0339)H99.O only 0.000 apart, marking (T0339)H99.O as missing WARNING: atoms too close: (T0339)S92.O and (T0339)H99.O only 0.000 apart, marking (T0339)H99.O as missing WARNING: atoms too close: (T0339)T91.O and (T0339)H99.O only 0.000 apart, marking (T0339)H99.O as missing WARNING: atoms too close: (T0339)Q90.O and (T0339)H99.O only 0.000 apart, marking (T0339)H99.O as missing WARNING: atoms too close: (T0339)G98.C and (T0339)H99.C only 0.000 apart, marking (T0339)H99.C as missing WARNING: atoms too close: (T0339)G97.C and (T0339)H99.C only 0.000 apart, marking (T0339)H99.C as missing WARNING: atoms too close: (T0339)T96.C and (T0339)H99.C only 0.000 apart, marking (T0339)H99.C as missing WARNING: atoms too close: (T0339)H95.C and (T0339)H99.C only 0.000 apart, marking (T0339)H99.C as missing WARNING: atoms too close: (T0339)G94.C and (T0339)H99.C only 0.000 apart, marking (T0339)H99.C as missing WARNING: atoms too close: (T0339)K93.C and (T0339)H99.C only 0.000 apart, marking (T0339)H99.C as missing WARNING: atoms too close: (T0339)S92.C and (T0339)H99.C only 0.000 apart, marking (T0339)H99.C as missing WARNING: atoms too close: (T0339)T91.C and (T0339)H99.C only 0.000 apart, marking (T0339)H99.C as missing WARNING: atoms too close: (T0339)Q90.C and (T0339)H99.C only 0.000 apart, marking (T0339)H99.C as missing WARNING: atoms too close: (T0339)H99.N and (T0339)H100.N only 0.000 apart, marking (T0339)H99.N as missing WARNING: atoms too close: (T0339)G98.N and (T0339)H100.N only 0.000 apart, marking (T0339)G98.N as missing WARNING: atoms too close: (T0339)G97.N and (T0339)H100.N only 0.000 apart, marking (T0339)G97.N as missing WARNING: atoms too close: (T0339)T96.N and (T0339)H100.N only 0.000 apart, marking (T0339)T96.N as missing WARNING: atoms too close: (T0339)H95.N and (T0339)H100.N only 0.000 apart, marking (T0339)H95.N as missing WARNING: atoms too close: (T0339)G94.N and (T0339)H100.N only 0.000 apart, marking (T0339)G94.N as missing WARNING: atoms too close: (T0339)K93.N and (T0339)H100.N only 0.000 apart, marking (T0339)K93.N as missing WARNING: atoms too close: (T0339)S92.N and (T0339)H100.N only 0.000 apart, marking (T0339)S92.N as missing WARNING: atoms too close: (T0339)T91.N and (T0339)H100.N only 0.000 apart, marking (T0339)T91.N as missing WARNING: atoms too close: (T0339)Q90.N and (T0339)H100.N only 0.000 apart, marking (T0339)H100.N as missing WARNING: atoms too close: (T0339)H99.CA and (T0339)H100.CA only 0.000 apart, marking (T0339)H100.CA as missing WARNING: atoms too close: (T0339)G98.CA and (T0339)H100.CA only 0.000 apart, marking (T0339)H100.CA as missing WARNING: atoms too close: (T0339)G97.CA and (T0339)H100.CA only 0.000 apart, marking (T0339)H100.CA as missing WARNING: atoms too close: (T0339)T96.CA and (T0339)H100.CA only 0.000 apart, marking (T0339)H100.CA as missing WARNING: atoms too close: (T0339)H95.CA and (T0339)H100.CA only 0.000 apart, marking (T0339)H100.CA as missing WARNING: atoms too close: (T0339)G94.CA and (T0339)H100.CA only 0.000 apart, marking (T0339)H100.CA as missing WARNING: atoms too close: (T0339)K93.CA and (T0339)H100.CA only 0.000 apart, marking (T0339)H100.CA as missing WARNING: atoms too close: (T0339)S92.CA and (T0339)H100.CA only 0.000 apart, marking (T0339)H100.CA as missing WARNING: atoms too close: (T0339)T91.CA and (T0339)H100.CA only 0.000 apart, marking (T0339)H100.CA as missing WARNING: atoms too close: (T0339)Q90.CA and (T0339)H100.CA only 0.000 apart, marking (T0339)H100.CA as missing WARNING: atoms too close: (T0339)H99.CB and (T0339)H100.CB only 0.000 apart, marking (T0339)H100.CB as missing WARNING: atoms too close: (T0339)T96.CB and (T0339)H100.CB only 0.000 apart, marking (T0339)H100.CB as missing WARNING: atoms too close: (T0339)H95.CB and (T0339)H100.CB only 0.000 apart, marking (T0339)H100.CB as missing WARNING: atoms too close: (T0339)K93.CB and (T0339)H100.CB only 0.000 apart, marking (T0339)H100.CB as missing WARNING: atoms too close: (T0339)S92.CB and (T0339)H100.CB only 0.000 apart, marking (T0339)H100.CB as missing WARNING: atoms too close: (T0339)T91.CB and (T0339)H100.CB only 0.000 apart, marking (T0339)H100.CB as missing WARNING: atoms too close: (T0339)Q90.CB and (T0339)H100.CB only 0.000 apart, marking (T0339)H100.CB as missing WARNING: atoms too close: (T0339)H99.O and (T0339)H100.O only 0.000 apart, marking (T0339)H100.O as missing WARNING: atoms too close: (T0339)G98.O and (T0339)H100.O only 0.000 apart, marking (T0339)H100.O as missing WARNING: atoms too close: (T0339)G97.O and (T0339)H100.O only 0.000 apart, marking (T0339)H100.O as missing WARNING: atoms too close: (T0339)T96.O and (T0339)H100.O only 0.000 apart, marking (T0339)H100.O as missing WARNING: atoms too close: (T0339)H95.O and (T0339)H100.O only 0.000 apart, marking (T0339)H100.O as missing WARNING: atoms too close: (T0339)G94.O and (T0339)H100.O only 0.000 apart, marking (T0339)H100.O as missing WARNING: atoms too close: (T0339)K93.O and (T0339)H100.O only 0.000 apart, marking (T0339)H100.O as missing WARNING: atoms too close: (T0339)S92.O and (T0339)H100.O only 0.000 apart, marking (T0339)H100.O as missing WARNING: atoms too close: (T0339)T91.O and (T0339)H100.O only 0.000 apart, marking (T0339)H100.O as missing WARNING: atoms too close: (T0339)Q90.O and (T0339)H100.O only 0.000 apart, marking (T0339)H100.O as missing WARNING: atoms too close: (T0339)H99.C and (T0339)H100.C only 0.000 apart, marking (T0339)H100.C as missing WARNING: atoms too close: (T0339)G98.C and (T0339)H100.C only 0.000 apart, marking (T0339)H100.C as missing WARNING: atoms too close: (T0339)G97.C and (T0339)H100.C only 0.000 apart, marking (T0339)H100.C as missing WARNING: atoms too close: (T0339)T96.C and (T0339)H100.C only 0.000 apart, marking (T0339)H100.C as missing WARNING: atoms too close: (T0339)H95.C and (T0339)H100.C only 0.000 apart, marking (T0339)H100.C as missing WARNING: atoms too close: (T0339)G94.C and (T0339)H100.C only 0.000 apart, marking (T0339)H100.C as missing WARNING: atoms too close: (T0339)K93.C and (T0339)H100.C only 0.000 apart, marking (T0339)H100.C as missing WARNING: atoms too close: (T0339)S92.C and (T0339)H100.C only 0.000 apart, marking (T0339)H100.C as missing WARNING: atoms too close: (T0339)T91.C and (T0339)H100.C only 0.000 apart, marking (T0339)H100.C as missing WARNING: atoms too close: (T0339)Q90.C and (T0339)H100.C only 0.000 apart, marking (T0339)H100.C as missing WARNING: atoms too close: (T0339)H100.N and (T0339)S101.N only 0.000 apart, marking (T0339)H100.N as missing WARNING: atoms too close: (T0339)H99.N and (T0339)S101.N only 0.000 apart, marking (T0339)H99.N as missing WARNING: atoms too close: (T0339)G98.N and (T0339)S101.N only 0.000 apart, marking (T0339)G98.N as missing WARNING: atoms too close: (T0339)G97.N and (T0339)S101.N only 0.000 apart, marking (T0339)G97.N as missing WARNING: atoms too close: (T0339)T96.N and (T0339)S101.N only 0.000 apart, marking (T0339)T96.N as missing WARNING: atoms too close: (T0339)H95.N and (T0339)S101.N only 0.000 apart, marking (T0339)H95.N as missing WARNING: atoms too close: (T0339)G94.N and (T0339)S101.N only 0.000 apart, marking (T0339)G94.N as missing WARNING: atoms too close: (T0339)K93.N and (T0339)S101.N only 0.000 apart, marking (T0339)K93.N as missing WARNING: atoms too close: (T0339)S92.N and (T0339)S101.N only 0.000 apart, marking (T0339)S92.N as missing WARNING: atoms too close: (T0339)T91.N and (T0339)S101.N only 0.000 apart, marking (T0339)T91.N as missing WARNING: atoms too close: (T0339)Q90.N and (T0339)S101.N only 0.000 apart, marking (T0339)S101.N as missing WARNING: atoms too close: (T0339)H100.CA and (T0339)S101.CA only 0.000 apart, marking (T0339)S101.CA as missing WARNING: atoms too close: (T0339)H99.CA and (T0339)S101.CA only 0.000 apart, marking (T0339)S101.CA as missing WARNING: atoms too close: (T0339)G98.CA and (T0339)S101.CA only 0.000 apart, marking (T0339)S101.CA as missing WARNING: atoms too close: (T0339)G97.CA and (T0339)S101.CA only 0.000 apart, marking (T0339)S101.CA as missing WARNING: atoms too close: (T0339)T96.CA and (T0339)S101.CA only 0.000 apart, marking (T0339)S101.CA as missing WARNING: atoms too close: (T0339)H95.CA and (T0339)S101.CA only 0.000 apart, marking (T0339)S101.CA as missing WARNING: atoms too close: (T0339)G94.CA and (T0339)S101.CA only 0.000 apart, marking (T0339)S101.CA as missing WARNING: atoms too close: (T0339)K93.CA and (T0339)S101.CA only 0.000 apart, marking (T0339)S101.CA as missing WARNING: atoms too close: (T0339)S92.CA and (T0339)S101.CA only 0.000 apart, marking (T0339)S101.CA as missing WARNING: atoms too close: (T0339)T91.CA and (T0339)S101.CA only 0.000 apart, marking (T0339)S101.CA as missing WARNING: atoms too close: (T0339)Q90.CA and (T0339)S101.CA only 0.000 apart, marking (T0339)S101.CA as missing WARNING: atoms too close: (T0339)H100.CB and (T0339)S101.CB only 0.000 apart, marking (T0339)S101.CB as missing WARNING: atoms too close: (T0339)H99.CB and (T0339)S101.CB only 0.000 apart, marking (T0339)S101.CB as missing WARNING: atoms too close: (T0339)T96.CB and (T0339)S101.CB only 0.000 apart, marking (T0339)S101.CB as missing WARNING: atoms too close: (T0339)H95.CB and (T0339)S101.CB only 0.000 apart, marking (T0339)S101.CB as missing WARNING: atoms too close: (T0339)K93.CB and (T0339)S101.CB only 0.000 apart, marking (T0339)S101.CB as missing WARNING: atoms too close: (T0339)S92.CB and (T0339)S101.CB only 0.000 apart, marking (T0339)S101.CB as missing WARNING: atoms too close: (T0339)T91.CB and (T0339)S101.CB only 0.000 apart, marking (T0339)S101.CB as missing WARNING: atoms too close: (T0339)Q90.CB and (T0339)S101.CB only 0.000 apart, marking (T0339)S101.CB as missing WARNING: atoms too close: (T0339)H100.O and (T0339)S101.O only 0.000 apart, marking (T0339)S101.O as missing WARNING: atoms too close: (T0339)H99.O and (T0339)S101.O only 0.000 apart, marking (T0339)S101.O as missing WARNING: atoms too close: (T0339)G98.O and (T0339)S101.O only 0.000 apart, marking (T0339)S101.O as missing WARNING: atoms too close: (T0339)G97.O and (T0339)S101.O only 0.000 apart, marking (T0339)S101.O as missing WARNING: atoms too close: (T0339)T96.O and (T0339)S101.O only 0.000 apart, marking (T0339)S101.O as missing WARNING: atoms too close: (T0339)H95.O and (T0339)S101.O only 0.000 apart, marking (T0339)S101.O as missing WARNING: atoms too close: (T0339)G94.O and (T0339)S101.O only 0.000 apart, marking (T0339)S101.O as missing WARNING: atoms too close: (T0339)K93.O and (T0339)S101.O only 0.000 apart, marking (T0339)S101.O as missing WARNING: atoms too close: (T0339)S92.O and (T0339)S101.O only 0.000 apart, marking (T0339)S101.O as missing WARNING: atoms too close: (T0339)T91.O and (T0339)S101.O only 0.000 apart, marking (T0339)S101.O as missing WARNING: atoms too close: (T0339)Q90.O and (T0339)S101.O only 0.000 apart, marking (T0339)S101.O as missing WARNING: atoms too close: (T0339)H100.C and (T0339)S101.C only 0.000 apart, marking (T0339)S101.C as missing WARNING: atoms too close: (T0339)H99.C and (T0339)S101.C only 0.000 apart, marking (T0339)S101.C as missing WARNING: atoms too close: (T0339)G98.C and (T0339)S101.C only 0.000 apart, marking (T0339)S101.C as missing WARNING: atoms too close: (T0339)G97.C and (T0339)S101.C only 0.000 apart, marking (T0339)S101.C as missing WARNING: atoms too close: (T0339)T96.C and (T0339)S101.C only 0.000 apart, marking (T0339)S101.C as missing WARNING: atoms too close: (T0339)H95.C and (T0339)S101.C only 0.000 apart, marking (T0339)S101.C as missing WARNING: atoms too close: (T0339)G94.C and (T0339)S101.C only 0.000 apart, marking (T0339)S101.C as missing WARNING: atoms too close: (T0339)K93.C and (T0339)S101.C only 0.000 apart, marking (T0339)S101.C as missing WARNING: atoms too close: (T0339)S92.C and (T0339)S101.C only 0.000 apart, marking (T0339)S101.C as missing WARNING: atoms too close: (T0339)T91.C and (T0339)S101.C only 0.000 apart, marking (T0339)S101.C as missing WARNING: atoms too close: (T0339)Q90.C and (T0339)S101.C only 0.000 apart, marking (T0339)S101.C as missing WARNING: atoms too close: (T0339)S101.N and (T0339)P102.N only 0.000 apart, marking (T0339)S101.N as missing WARNING: atoms too close: (T0339)H100.N and (T0339)P102.N only 0.000 apart, marking (T0339)H100.N as missing WARNING: atoms too close: (T0339)H99.N and (T0339)P102.N only 0.000 apart, marking (T0339)H99.N as missing WARNING: atoms too close: (T0339)G98.N and (T0339)P102.N only 0.000 apart, marking (T0339)G98.N as missing WARNING: atoms too close: (T0339)G97.N and (T0339)P102.N only 0.000 apart, marking (T0339)G97.N as missing WARNING: atoms too close: (T0339)T96.N and (T0339)P102.N only 0.000 apart, marking (T0339)T96.N as missing WARNING: atoms too close: (T0339)H95.N and (T0339)P102.N only 0.000 apart, marking (T0339)H95.N as missing WARNING: atoms too close: (T0339)G94.N and (T0339)P102.N only 0.000 apart, marking (T0339)G94.N as missing WARNING: atoms too close: (T0339)K93.N and (T0339)P102.N only 0.000 apart, marking (T0339)K93.N as missing WARNING: atoms too close: (T0339)S92.N and (T0339)P102.N only 0.000 apart, marking (T0339)S92.N as missing WARNING: atoms too close: (T0339)T91.N and (T0339)P102.N only 0.000 apart, marking (T0339)T91.N as missing WARNING: atoms too close: (T0339)Q90.N and (T0339)P102.N only 0.000 apart, marking (T0339)P102.N as missing WARNING: atoms too close: (T0339)S101.CA and (T0339)P102.CA only 0.000 apart, marking (T0339)P102.CA as missing WARNING: atoms too close: (T0339)H100.CA and (T0339)P102.CA only 0.000 apart, marking (T0339)P102.CA as missing WARNING: atoms too close: (T0339)H99.CA and (T0339)P102.CA only 0.000 apart, marking (T0339)P102.CA as missing WARNING: atoms too close: (T0339)G98.CA and (T0339)P102.CA only 0.000 apart, marking (T0339)P102.CA as missing WARNING: atoms too close: (T0339)G97.CA and (T0339)P102.CA only 0.000 apart, marking (T0339)P102.CA as missing WARNING: atoms too close: (T0339)T96.CA and (T0339)P102.CA only 0.000 apart, marking (T0339)P102.CA as missing WARNING: atoms too close: (T0339)H95.CA and (T0339)P102.CA only 0.000 apart, marking (T0339)P102.CA as missing WARNING: atoms too close: (T0339)G94.CA and (T0339)P102.CA only 0.000 apart, marking (T0339)P102.CA as missing WARNING: atoms too close: (T0339)K93.CA and (T0339)P102.CA only 0.000 apart, marking (T0339)P102.CA as missing WARNING: atoms too close: (T0339)S92.CA and (T0339)P102.CA only 0.000 apart, marking (T0339)P102.CA as missing WARNING: atoms too close: (T0339)T91.CA and (T0339)P102.CA only 0.000 apart, marking (T0339)P102.CA as missing WARNING: atoms too close: (T0339)Q90.CA and (T0339)P102.CA only 0.000 apart, marking (T0339)P102.CA as missing WARNING: atoms too close: (T0339)S101.CB and (T0339)P102.CB only 0.000 apart, marking (T0339)P102.CB as missing WARNING: atoms too close: (T0339)H100.CB and (T0339)P102.CB only 0.000 apart, marking (T0339)P102.CB as missing WARNING: atoms too close: (T0339)H99.CB and (T0339)P102.CB only 0.000 apart, marking (T0339)P102.CB as missing WARNING: atoms too close: (T0339)T96.CB and (T0339)P102.CB only 0.000 apart, marking (T0339)P102.CB as missing WARNING: atoms too close: (T0339)H95.CB and (T0339)P102.CB only 0.000 apart, marking (T0339)P102.CB as missing WARNING: atoms too close: (T0339)K93.CB and (T0339)P102.CB only 0.000 apart, marking (T0339)P102.CB as missing WARNING: atoms too close: (T0339)S92.CB and (T0339)P102.CB only 0.000 apart, marking (T0339)P102.CB as missing WARNING: atoms too close: (T0339)T91.CB and (T0339)P102.CB only 0.000 apart, marking (T0339)P102.CB as missing WARNING: atoms too close: (T0339)Q90.CB and (T0339)P102.CB only 0.000 apart, marking (T0339)P102.CB as missing WARNING: atoms too close: (T0339)S101.O and (T0339)P102.O only 0.000 apart, marking (T0339)P102.O as missing WARNING: atoms too close: (T0339)H100.O and (T0339)P102.O only 0.000 apart, marking (T0339)P102.O as missing WARNING: atoms too close: (T0339)H99.O and (T0339)P102.O only 0.000 apart, marking (T0339)P102.O as missing WARNING: atoms too close: (T0339)G98.O and (T0339)P102.O only 0.000 apart, marking (T0339)P102.O as missing WARNING: atoms too close: (T0339)G97.O and (T0339)P102.O only 0.000 apart, marking (T0339)P102.O as missing WARNING: atoms too close: (T0339)T96.O and (T0339)P102.O only 0.000 apart, marking (T0339)P102.O as missing WARNING: atoms too close: (T0339)H95.O and (T0339)P102.O only 0.000 apart, marking (T0339)P102.O as missing WARNING: atoms too close: (T0339)G94.O and (T0339)P102.O only 0.000 apart, marking (T0339)P102.O as missing WARNING: atoms too close: (T0339)K93.O and (T0339)P102.O only 0.000 apart, marking (T0339)P102.O as missing WARNING: atoms too close: (T0339)S92.O and (T0339)P102.O only 0.000 apart, marking (T0339)P102.O as missing WARNING: atoms too close: (T0339)T91.O and (T0339)P102.O only 0.000 apart, marking (T0339)P102.O as missing WARNING: atoms too close: (T0339)Q90.O and (T0339)P102.O only 0.000 apart, marking (T0339)P102.O as missing WARNING: atoms too close: (T0339)S101.C and (T0339)P102.C only 0.000 apart, marking (T0339)P102.C as missing WARNING: atoms too close: (T0339)H100.C and (T0339)P102.C only 0.000 apart, marking (T0339)P102.C as missing WARNING: atoms too close: (T0339)H99.C and (T0339)P102.C only 0.000 apart, marking (T0339)P102.C as missing WARNING: atoms too close: (T0339)G98.C and (T0339)P102.C only 0.000 apart, marking (T0339)P102.C as missing WARNING: atoms too close: (T0339)G97.C and (T0339)P102.C only 0.000 apart, marking (T0339)P102.C as missing WARNING: atoms too close: (T0339)T96.C and (T0339)P102.C only 0.000 apart, marking (T0339)P102.C as missing WARNING: atoms too close: (T0339)H95.C and (T0339)P102.C only 0.000 apart, marking (T0339)P102.C as missing WARNING: atoms too close: (T0339)G94.C and (T0339)P102.C only 0.000 apart, marking (T0339)P102.C as missing WARNING: atoms too close: (T0339)K93.C and (T0339)P102.C only 0.000 apart, marking (T0339)P102.C as missing WARNING: atoms too close: (T0339)S92.C and (T0339)P102.C only 0.000 apart, marking (T0339)P102.C as missing WARNING: atoms too close: (T0339)T91.C and (T0339)P102.C only 0.000 apart, marking (T0339)P102.C as missing WARNING: atoms too close: (T0339)Q90.C and (T0339)P102.C only 0.000 apart, marking (T0339)P102.C as missing WARNING: atoms too close: (T0339)P102.N and (T0339)V103.N only 0.000 apart, marking (T0339)P102.N as missing WARNING: atoms too close: (T0339)S101.N and (T0339)V103.N only 0.000 apart, marking (T0339)S101.N as missing WARNING: atoms too close: (T0339)H100.N and (T0339)V103.N only 0.000 apart, marking (T0339)H100.N as missing WARNING: atoms too close: (T0339)H99.N and (T0339)V103.N only 0.000 apart, marking (T0339)H99.N as missing WARNING: atoms too close: (T0339)G98.N and (T0339)V103.N only 0.000 apart, marking (T0339)G98.N as missing WARNING: atoms too close: (T0339)G97.N and (T0339)V103.N only 0.000 apart, marking (T0339)G97.N as missing WARNING: atoms too close: (T0339)T96.N and (T0339)V103.N only 0.000 apart, marking (T0339)T96.N as missing WARNING: atoms too close: (T0339)H95.N and (T0339)V103.N only 0.000 apart, marking (T0339)H95.N as missing WARNING: atoms too close: (T0339)G94.N and (T0339)V103.N only 0.000 apart, marking (T0339)G94.N as missing WARNING: atoms too close: (T0339)K93.N and (T0339)V103.N only 0.000 apart, marking (T0339)K93.N as missing WARNING: atoms too close: (T0339)S92.N and (T0339)V103.N only 0.000 apart, marking (T0339)S92.N as missing WARNING: atoms too close: (T0339)T91.N and (T0339)V103.N only 0.000 apart, marking (T0339)T91.N as missing WARNING: atoms too close: (T0339)Q90.N and (T0339)V103.N only 0.000 apart, marking (T0339)V103.N as missing WARNING: atoms too close: (T0339)P102.CA and (T0339)V103.CA only 0.000 apart, marking (T0339)V103.CA as missing WARNING: atoms too close: (T0339)S101.CA and (T0339)V103.CA only 0.000 apart, marking (T0339)V103.CA as missing WARNING: atoms too close: (T0339)H100.CA and (T0339)V103.CA only 0.000 apart, marking (T0339)V103.CA as missing WARNING: atoms too close: (T0339)H99.CA and (T0339)V103.CA only 0.000 apart, marking (T0339)V103.CA as missing WARNING: atoms too close: (T0339)G98.CA and (T0339)V103.CA only 0.000 apart, marking (T0339)V103.CA as missing WARNING: atoms too close: (T0339)G97.CA and (T0339)V103.CA only 0.000 apart, marking (T0339)V103.CA as missing WARNING: atoms too close: (T0339)T96.CA and (T0339)V103.CA only 0.000 apart, marking (T0339)V103.CA as missing WARNING: atoms too close: (T0339)H95.CA and (T0339)V103.CA only 0.000 apart, marking (T0339)V103.CA as missing WARNING: atoms too close: (T0339)G94.CA and (T0339)V103.CA only 0.000 apart, marking (T0339)V103.CA as missing WARNING: atoms too close: (T0339)K93.CA and (T0339)V103.CA only 0.000 apart, marking (T0339)V103.CA as missing WARNING: atoms too close: (T0339)S92.CA and (T0339)V103.CA only 0.000 apart, marking (T0339)V103.CA as missing WARNING: atoms too close: (T0339)T91.CA and (T0339)V103.CA only 0.000 apart, marking (T0339)V103.CA as missing WARNING: atoms too close: (T0339)Q90.CA and (T0339)V103.CA only 0.000 apart, marking (T0339)V103.CA as missing WARNING: atoms too close: (T0339)P102.CB and (T0339)V103.CB only 0.000 apart, marking (T0339)V103.CB as missing WARNING: atoms too close: (T0339)S101.CB and (T0339)V103.CB only 0.000 apart, marking (T0339)V103.CB as missing WARNING: atoms too close: (T0339)H100.CB and (T0339)V103.CB only 0.000 apart, marking (T0339)V103.CB as missing WARNING: atoms too close: (T0339)H99.CB and (T0339)V103.CB only 0.000 apart, marking (T0339)V103.CB as missing WARNING: atoms too close: (T0339)T96.CB and (T0339)V103.CB only 0.000 apart, marking (T0339)V103.CB as missing WARNING: atoms too close: (T0339)H95.CB and (T0339)V103.CB only 0.000 apart, marking (T0339)V103.CB as missing WARNING: atoms too close: (T0339)K93.CB and (T0339)V103.CB only 0.000 apart, marking (T0339)V103.CB as missing WARNING: atoms too close: (T0339)S92.CB and (T0339)V103.CB only 0.000 apart, marking (T0339)V103.CB as missing WARNING: atoms too close: (T0339)T91.CB and (T0339)V103.CB only 0.000 apart, marking (T0339)V103.CB as missing WARNING: atoms too close: (T0339)Q90.CB and (T0339)V103.CB only 0.000 apart, marking (T0339)V103.CB as missing WARNING: atoms too close: (T0339)P102.O and (T0339)V103.O only 0.000 apart, marking (T0339)V103.O as missing WARNING: atoms too close: (T0339)S101.O and (T0339)V103.O only 0.000 apart, marking (T0339)V103.O as missing WARNING: atoms too close: (T0339)H100.O and (T0339)V103.O only 0.000 apart, marking (T0339)V103.O as missing WARNING: atoms too close: (T0339)H99.O and (T0339)V103.O only 0.000 apart, marking (T0339)V103.O as missing WARNING: atoms too close: (T0339)G98.O and (T0339)V103.O only 0.000 apart, marking (T0339)V103.O as missing WARNING: atoms too close: (T0339)G97.O and (T0339)V103.O only 0.000 apart, marking (T0339)V103.O as missing WARNING: atoms too close: (T0339)T96.O and (T0339)V103.O only 0.000 apart, marking (T0339)V103.O as missing WARNING: atoms too close: (T0339)H95.O and (T0339)V103.O only 0.000 apart, marking (T0339)V103.O as missing WARNING: atoms too close: (T0339)G94.O and (T0339)V103.O only 0.000 apart, marking (T0339)V103.O as missing WARNING: atoms too close: (T0339)K93.O and (T0339)V103.O only 0.000 apart, marking (T0339)V103.O as missing WARNING: atoms too close: (T0339)S92.O and (T0339)V103.O only 0.000 apart, marking (T0339)V103.O as missing WARNING: atoms too close: (T0339)T91.O and (T0339)V103.O only 0.000 apart, marking (T0339)V103.O as missing WARNING: atoms too close: (T0339)Q90.O and (T0339)V103.O only 0.000 apart, marking (T0339)V103.O as missing WARNING: atoms too close: (T0339)P102.C and (T0339)V103.C only 0.000 apart, marking (T0339)V103.C as missing WARNING: atoms too close: (T0339)S101.C and (T0339)V103.C only 0.000 apart, marking (T0339)V103.C as missing WARNING: atoms too close: (T0339)H100.C and (T0339)V103.C only 0.000 apart, marking (T0339)V103.C as missing WARNING: atoms too close: (T0339)H99.C and (T0339)V103.C only 0.000 apart, marking (T0339)V103.C as missing WARNING: atoms too close: (T0339)G98.C and (T0339)V103.C only 0.000 apart, marking (T0339)V103.C as missing WARNING: atoms too close: (T0339)G97.C and (T0339)V103.C only 0.000 apart, marking (T0339)V103.C as missing WARNING: atoms too close: (T0339)T96.C and (T0339)V103.C only 0.000 apart, marking (T0339)V103.C as missing WARNING: atoms too close: (T0339)H95.C and (T0339)V103.C only 0.000 apart, marking (T0339)V103.C as missing WARNING: atoms too close: (T0339)G94.C and (T0339)V103.C only 0.000 apart, marking (T0339)V103.C as missing WARNING: atoms too close: (T0339)K93.C and (T0339)V103.C only 0.000 apart, marking (T0339)V103.C as missing WARNING: atoms too close: (T0339)S92.C and (T0339)V103.C only 0.000 apart, marking (T0339)V103.C as missing WARNING: atoms too close: (T0339)T91.C and (T0339)V103.C only 0.000 apart, marking (T0339)V103.C as missing WARNING: atoms too close: (T0339)Q90.C and (T0339)V103.C only 0.000 apart, marking (T0339)V103.C as missing WARNING: atoms too close: (T0339)V103.N and (T0339)K104.N only 0.000 apart, marking (T0339)V103.N as missing WARNING: atoms too close: (T0339)P102.N and (T0339)K104.N only 0.000 apart, marking (T0339)P102.N as missing WARNING: atoms too close: (T0339)S101.N and (T0339)K104.N only 0.000 apart, marking (T0339)S101.N as missing WARNING: atoms too close: (T0339)H100.N and (T0339)K104.N only 0.000 apart, marking (T0339)H100.N as missing WARNING: atoms too close: (T0339)H99.N and (T0339)K104.N only 0.000 apart, marking (T0339)H99.N as missing WARNING: atoms too close: (T0339)G98.N and (T0339)K104.N only 0.000 apart, marking (T0339)G98.N as missing WARNING: atoms too close: (T0339)G97.N and (T0339)K104.N only 0.000 apart, marking (T0339)G97.N as missing WARNING: atoms too close: (T0339)T96.N and (T0339)K104.N only 0.000 apart, marking (T0339)T96.N as missing WARNING: atoms too close: (T0339)H95.N and (T0339)K104.N only 0.000 apart, marking (T0339)H95.N as missing WARNING: atoms too close: (T0339)G94.N and (T0339)K104.N only 0.000 apart, marking (T0339)G94.N as missing WARNING: atoms too close: (T0339)K93.N and (T0339)K104.N only 0.000 apart, marking (T0339)K93.N as missing WARNING: atoms too close: (T0339)S92.N and (T0339)K104.N only 0.000 apart, marking (T0339)S92.N as missing WARNING: atoms too close: (T0339)T91.N and (T0339)K104.N only 0.000 apart, marking (T0339)T91.N as missing WARNING: atoms too close: (T0339)Q90.N and (T0339)K104.N only 0.000 apart, marking (T0339)K104.N as missing WARNING: atoms too close: (T0339)V103.CA and (T0339)K104.CA only 0.000 apart, marking (T0339)K104.CA as missing WARNING: atoms too close: (T0339)P102.CA and (T0339)K104.CA only 0.000 apart, marking (T0339)K104.CA as missing WARNING: atoms too close: (T0339)S101.CA and (T0339)K104.CA only 0.000 apart, marking (T0339)K104.CA as missing WARNING: atoms too close: (T0339)H100.CA and (T0339)K104.CA only 0.000 apart, marking (T0339)K104.CA as missing WARNING: atoms too close: (T0339)H99.CA and (T0339)K104.CA only 0.000 apart, marking (T0339)K104.CA as missing WARNING: atoms too close: (T0339)G98.CA and (T0339)K104.CA only 0.000 apart, marking (T0339)K104.CA as missing WARNING: atoms too close: (T0339)G97.CA and (T0339)K104.CA only 0.000 apart, marking (T0339)K104.CA as missing WARNING: atoms too close: (T0339)T96.CA and (T0339)K104.CA only 0.000 apart, marking (T0339)K104.CA as missing WARNING: atoms too close: (T0339)H95.CA and (T0339)K104.CA only 0.000 apart, marking (T0339)K104.CA as missing WARNING: atoms too close: (T0339)G94.CA and (T0339)K104.CA only 0.000 apart, marking (T0339)K104.CA as missing WARNING: atoms too close: (T0339)K93.CA and (T0339)K104.CA only 0.000 apart, marking (T0339)K104.CA as missing WARNING: atoms too close: (T0339)S92.CA and (T0339)K104.CA only 0.000 apart, marking (T0339)K104.CA as missing WARNING: atoms too close: (T0339)T91.CA and (T0339)K104.CA only 0.000 apart, marking (T0339)K104.CA as missing WARNING: atoms too close: (T0339)Q90.CA and (T0339)K104.CA only 0.000 apart, marking (T0339)K104.CA as missing WARNING: atoms too close: (T0339)V103.CB and (T0339)K104.CB only 0.000 apart, marking (T0339)K104.CB as missing WARNING: atoms too close: (T0339)P102.CB and (T0339)K104.CB only 0.000 apart, marking (T0339)K104.CB as missing WARNING: atoms too close: (T0339)S101.CB and (T0339)K104.CB only 0.000 apart, marking (T0339)K104.CB as missing WARNING: atoms too close: (T0339)H100.CB and (T0339)K104.CB only 0.000 apart, marking (T0339)K104.CB as missing WARNING: atoms too close: (T0339)H99.CB and (T0339)K104.CB only 0.000 apart, marking (T0339)K104.CB as missing WARNING: atoms too close: (T0339)T96.CB and (T0339)K104.CB only 0.000 apart, marking (T0339)K104.CB as missing WARNING: atoms too close: (T0339)H95.CB and (T0339)K104.CB only 0.000 apart, marking (T0339)K104.CB as missing WARNING: atoms too close: (T0339)K93.CB and (T0339)K104.CB only 0.000 apart, marking (T0339)K104.CB as missing WARNING: atoms too close: (T0339)S92.CB and (T0339)K104.CB only 0.000 apart, marking (T0339)K104.CB as missing WARNING: atoms too close: (T0339)T91.CB and (T0339)K104.CB only 0.000 apart, marking (T0339)K104.CB as missing WARNING: atoms too close: (T0339)Q90.CB and (T0339)K104.CB only 0.000 apart, marking (T0339)K104.CB as missing WARNING: atoms too close: (T0339)V103.O and (T0339)K104.O only 0.000 apart, marking (T0339)K104.O as missing WARNING: atoms too close: (T0339)P102.O and (T0339)K104.O only 0.000 apart, marking (T0339)K104.O as missing WARNING: atoms too close: (T0339)S101.O and (T0339)K104.O only 0.000 apart, marking (T0339)K104.O as missing WARNING: atoms too close: (T0339)H100.O and (T0339)K104.O only 0.000 apart, marking (T0339)K104.O as missing WARNING: atoms too close: (T0339)H99.O and (T0339)K104.O only 0.000 apart, marking (T0339)K104.O as missing WARNING: atoms too close: (T0339)G98.O and (T0339)K104.O only 0.000 apart, marking (T0339)K104.O as missing WARNING: atoms too close: (T0339)G97.O and (T0339)K104.O only 0.000 apart, marking (T0339)K104.O as missing WARNING: atoms too close: (T0339)T96.O and (T0339)K104.O only 0.000 apart, marking (T0339)K104.O as missing WARNING: atoms too close: (T0339)H95.O and (T0339)K104.O only 0.000 apart, marking (T0339)K104.O as missing WARNING: atoms too close: (T0339)G94.O and (T0339)K104.O only 0.000 apart, marking (T0339)K104.O as missing WARNING: atoms too close: (T0339)K93.O and (T0339)K104.O only 0.000 apart, marking (T0339)K104.O as missing WARNING: atoms too close: (T0339)S92.O and (T0339)K104.O only 0.000 apart, marking (T0339)K104.O as missing WARNING: atoms too close: (T0339)T91.O and (T0339)K104.O only 0.000 apart, marking (T0339)K104.O as missing WARNING: atoms too close: (T0339)Q90.O and (T0339)K104.O only 0.000 apart, marking (T0339)K104.O as missing WARNING: atoms too close: (T0339)V103.C and (T0339)K104.C only 0.000 apart, marking (T0339)K104.C as missing WARNING: atoms too close: (T0339)P102.C and (T0339)K104.C only 0.000 apart, marking (T0339)K104.C as missing WARNING: atoms too close: (T0339)S101.C and (T0339)K104.C only 0.000 apart, marking (T0339)K104.C as missing WARNING: atoms too close: (T0339)H100.C and (T0339)K104.C only 0.000 apart, marking (T0339)K104.C as missing WARNING: atoms too close: (T0339)H99.C and (T0339)K104.C only 0.000 apart, marking (T0339)K104.C as missing WARNING: atoms too close: (T0339)G98.C and (T0339)K104.C only 0.000 apart, marking (T0339)K104.C as missing WARNING: atoms too close: (T0339)G97.C and (T0339)K104.C only 0.000 apart, marking (T0339)K104.C as missing WARNING: atoms too close: (T0339)T96.C and (T0339)K104.C only 0.000 apart, marking (T0339)K104.C as missing WARNING: atoms too close: (T0339)H95.C and (T0339)K104.C only 0.000 apart, marking (T0339)K104.C as missing WARNING: atoms too close: (T0339)G94.C and (T0339)K104.C only 0.000 apart, marking (T0339)K104.C as missing WARNING: atoms too close: (T0339)K93.C and (T0339)K104.C only 0.000 apart, marking (T0339)K104.C as missing WARNING: atoms too close: (T0339)S92.C and (T0339)K104.C only 0.000 apart, marking (T0339)K104.C as missing WARNING: atoms too close: (T0339)T91.C and (T0339)K104.C only 0.000 apart, marking (T0339)K104.C as missing WARNING: atoms too close: (T0339)Q90.C and (T0339)K104.C only 0.000 apart, marking (T0339)K104.C as missing WARNING: atoms too close: (T0339)K104.N and (T0339)G105.N only 0.000 apart, marking (T0339)K104.N as missing WARNING: atoms too close: (T0339)V103.N and (T0339)G105.N only 0.000 apart, marking (T0339)V103.N as missing WARNING: atoms too close: (T0339)P102.N and (T0339)G105.N only 0.000 apart, marking (T0339)P102.N as missing WARNING: atoms too close: (T0339)S101.N and (T0339)G105.N only 0.000 apart, marking (T0339)S101.N as missing WARNING: atoms too close: (T0339)H100.N and (T0339)G105.N only 0.000 apart, marking (T0339)H100.N as missing WARNING: atoms too close: (T0339)H99.N and (T0339)G105.N only 0.000 apart, marking (T0339)H99.N as missing WARNING: atoms too close: (T0339)G98.N and (T0339)G105.N only 0.000 apart, marking (T0339)G98.N as missing WARNING: atoms too close: (T0339)G97.N and (T0339)G105.N only 0.000 apart, marking (T0339)G97.N as missing WARNING: atoms too close: (T0339)T96.N and (T0339)G105.N only 0.000 apart, marking (T0339)T96.N as missing WARNING: atoms too close: (T0339)H95.N and (T0339)G105.N only 0.000 apart, marking (T0339)H95.N as missing WARNING: atoms too close: (T0339)G94.N and (T0339)G105.N only 0.000 apart, marking (T0339)G94.N as missing WARNING: atoms too close: (T0339)K93.N and (T0339)G105.N only 0.000 apart, marking (T0339)K93.N as missing WARNING: atoms too close: (T0339)S92.N and (T0339)G105.N only 0.000 apart, marking (T0339)S92.N as missing WARNING: atoms too close: (T0339)T91.N and (T0339)G105.N only 0.000 apart, marking (T0339)T91.N as missing WARNING: atoms too close: (T0339)Q90.N and (T0339)G105.N only 0.000 apart, marking (T0339)G105.N as missing WARNING: atoms too close: (T0339)K104.CA and (T0339)G105.CA only 0.000 apart, marking (T0339)G105.CA as missing WARNING: atoms too close: (T0339)V103.CA and (T0339)G105.CA only 0.000 apart, marking (T0339)G105.CA as missing WARNING: atoms too close: (T0339)P102.CA and (T0339)G105.CA only 0.000 apart, marking (T0339)G105.CA as missing WARNING: atoms too close: (T0339)S101.CA and (T0339)G105.CA only 0.000 apart, marking (T0339)G105.CA as missing WARNING: atoms too close: (T0339)H100.CA and (T0339)G105.CA only 0.000 apart, marking (T0339)G105.CA as missing WARNING: atoms too close: (T0339)H99.CA and (T0339)G105.CA only 0.000 apart, marking (T0339)G105.CA as missing WARNING: atoms too close: (T0339)G98.CA and (T0339)G105.CA only 0.000 apart, marking (T0339)G105.CA as missing WARNING: atoms too close: (T0339)G97.CA and (T0339)G105.CA only 0.000 apart, marking (T0339)G105.CA as missing WARNING: atoms too close: (T0339)T96.CA and (T0339)G105.CA only 0.000 apart, marking (T0339)G105.CA as missing WARNING: atoms too close: (T0339)H95.CA and (T0339)G105.CA only 0.000 apart, marking (T0339)G105.CA as missing WARNING: atoms too close: (T0339)G94.CA and (T0339)G105.CA only 0.000 apart, marking (T0339)G105.CA as missing WARNING: atoms too close: (T0339)K93.CA and (T0339)G105.CA only 0.000 apart, marking (T0339)G105.CA as missing WARNING: atoms too close: (T0339)S92.CA and (T0339)G105.CA only 0.000 apart, marking (T0339)G105.CA as missing WARNING: atoms too close: (T0339)T91.CA and (T0339)G105.CA only 0.000 apart, marking (T0339)G105.CA as missing WARNING: atoms too close: (T0339)Q90.CA and (T0339)G105.CA only 0.000 apart, marking (T0339)G105.CA as missing WARNING: atoms too close: (T0339)K104.O and (T0339)G105.O only 0.000 apart, marking (T0339)G105.O as missing WARNING: atoms too close: (T0339)V103.O and (T0339)G105.O only 0.000 apart, marking (T0339)G105.O as missing WARNING: atoms too close: (T0339)P102.O and (T0339)G105.O only 0.000 apart, marking (T0339)G105.O as missing WARNING: atoms too close: (T0339)S101.O and (T0339)G105.O only 0.000 apart, marking (T0339)G105.O as missing WARNING: atoms too close: (T0339)H100.O and (T0339)G105.O only 0.000 apart, marking (T0339)G105.O as missing WARNING: atoms too close: (T0339)H99.O and (T0339)G105.O only 0.000 apart, marking (T0339)G105.O as missing WARNING: atoms too close: (T0339)G98.O and (T0339)G105.O only 0.000 apart, marking (T0339)G105.O as missing WARNING: atoms too close: (T0339)G97.O and (T0339)G105.O only 0.000 apart, marking (T0339)G105.O as missing WARNING: atoms too close: (T0339)T96.O and (T0339)G105.O only 0.000 apart, marking (T0339)G105.O as missing WARNING: atoms too close: (T0339)H95.O and (T0339)G105.O only 0.000 apart, marking (T0339)G105.O as missing WARNING: atoms too close: (T0339)G94.O and (T0339)G105.O only 0.000 apart, marking (T0339)G105.O as missing WARNING: atoms too close: (T0339)K93.O and (T0339)G105.O only 0.000 apart, marking (T0339)G105.O as missing WARNING: atoms too close: (T0339)S92.O and (T0339)G105.O only 0.000 apart, marking (T0339)G105.O as missing WARNING: atoms too close: (T0339)T91.O and (T0339)G105.O only 0.000 apart, marking (T0339)G105.O as missing WARNING: atoms too close: (T0339)Q90.O and (T0339)G105.O only 0.000 apart, marking (T0339)G105.O as missing WARNING: atoms too close: (T0339)K104.C and (T0339)G105.C only 0.000 apart, marking (T0339)G105.C as missing WARNING: atoms too close: (T0339)V103.C and (T0339)G105.C only 0.000 apart, marking (T0339)G105.C as missing WARNING: atoms too close: (T0339)P102.C and (T0339)G105.C only 0.000 apart, marking (T0339)G105.C as missing WARNING: atoms too close: (T0339)S101.C and (T0339)G105.C only 0.000 apart, marking (T0339)G105.C as missing WARNING: atoms too close: (T0339)H100.C and (T0339)G105.C only 0.000 apart, marking (T0339)G105.C as missing WARNING: atoms too close: (T0339)H99.C and (T0339)G105.C only 0.000 apart, marking (T0339)G105.C as missing WARNING: atoms too close: (T0339)G98.C and (T0339)G105.C only 0.000 apart, marking (T0339)G105.C as missing WARNING: atoms too close: (T0339)G97.C and (T0339)G105.C only 0.000 apart, marking (T0339)G105.C as missing WARNING: atoms too close: (T0339)T96.C and (T0339)G105.C only 0.000 apart, marking (T0339)G105.C as missing WARNING: atoms too close: (T0339)H95.C and (T0339)G105.C only 0.000 apart, marking (T0339)G105.C as missing WARNING: atoms too close: (T0339)G94.C and (T0339)G105.C only 0.000 apart, marking (T0339)G105.C as missing WARNING: atoms too close: (T0339)K93.C and (T0339)G105.C only 0.000 apart, marking (T0339)G105.C as missing WARNING: atoms too close: (T0339)S92.C and (T0339)G105.C only 0.000 apart, marking (T0339)G105.C as missing WARNING: atoms too close: (T0339)T91.C and (T0339)G105.C only 0.000 apart, marking (T0339)G105.C as missing WARNING: atoms too close: (T0339)Q90.C and (T0339)G105.C only 0.000 apart, marking (T0339)G105.C as missing WARNING: atoms too close: (T0339)G105.N and (T0339)A106.N only 0.000 apart, marking (T0339)G105.N as missing WARNING: atoms too close: (T0339)K104.N and (T0339)A106.N only 0.000 apart, marking (T0339)K104.N as missing WARNING: atoms too close: (T0339)V103.N and (T0339)A106.N only 0.000 apart, marking (T0339)V103.N as missing WARNING: atoms too close: (T0339)P102.N and (T0339)A106.N only 0.000 apart, marking (T0339)P102.N as missing WARNING: atoms too close: (T0339)S101.N and (T0339)A106.N only 0.000 apart, marking (T0339)S101.N as missing WARNING: atoms too close: (T0339)H100.N and (T0339)A106.N only 0.000 apart, marking (T0339)H100.N as missing WARNING: atoms too close: (T0339)H99.N and (T0339)A106.N only 0.000 apart, marking (T0339)H99.N as missing WARNING: atoms too close: (T0339)G98.N and (T0339)A106.N only 0.000 apart, marking (T0339)G98.N as missing WARNING: atoms too close: (T0339)G97.N and (T0339)A106.N only 0.000 apart, marking (T0339)G97.N as missing WARNING: atoms too close: (T0339)T96.N and (T0339)A106.N only 0.000 apart, marking (T0339)T96.N as missing WARNING: atoms too close: (T0339)H95.N and (T0339)A106.N only 0.000 apart, marking (T0339)H95.N as missing WARNING: atoms too close: (T0339)G94.N and (T0339)A106.N only 0.000 apart, marking (T0339)G94.N as missing WARNING: atoms too close: (T0339)K93.N and (T0339)A106.N only 0.000 apart, marking (T0339)K93.N as missing WARNING: atoms too close: (T0339)S92.N and (T0339)A106.N only 0.000 apart, marking (T0339)S92.N as missing WARNING: atoms too close: (T0339)T91.N and (T0339)A106.N only 0.000 apart, marking (T0339)T91.N as missing WARNING: atoms too close: (T0339)Q90.N and (T0339)A106.N only 0.000 apart, marking (T0339)A106.N as missing WARNING: atoms too close: (T0339)G105.CA and (T0339)A106.CA only 0.000 apart, marking (T0339)A106.CA as missing WARNING: atoms too close: (T0339)K104.CA and (T0339)A106.CA only 0.000 apart, marking (T0339)A106.CA as missing WARNING: atoms too close: (T0339)V103.CA and (T0339)A106.CA only 0.000 apart, marking (T0339)A106.CA as missing WARNING: atoms too close: (T0339)P102.CA and (T0339)A106.CA only 0.000 apart, marking (T0339)A106.CA as missing WARNING: atoms too close: (T0339)S101.CA and (T0339)A106.CA only 0.000 apart, marking (T0339)A106.CA as missing WARNING: atoms too close: (T0339)H100.CA and (T0339)A106.CA only 0.000 apart, marking (T0339)A106.CA as missing WARNING: atoms too close: (T0339)H99.CA and (T0339)A106.CA only 0.000 apart, marking (T0339)A106.CA as missing WARNING: atoms too close: (T0339)G98.CA and (T0339)A106.CA only 0.000 apart, marking (T0339)A106.CA as missing WARNING: atoms too close: (T0339)G97.CA and (T0339)A106.CA only 0.000 apart, marking (T0339)A106.CA as missing WARNING: atoms too close: (T0339)T96.CA and (T0339)A106.CA only 0.000 apart, marking (T0339)A106.CA as missing WARNING: atoms too close: (T0339)H95.CA and (T0339)A106.CA only 0.000 apart, marking (T0339)A106.CA as missing WARNING: atoms too close: (T0339)G94.CA and (T0339)A106.CA only 0.000 apart, marking (T0339)A106.CA as missing WARNING: atoms too close: (T0339)K93.CA and (T0339)A106.CA only 0.000 apart, marking (T0339)A106.CA as missing WARNING: atoms too close: (T0339)S92.CA and (T0339)A106.CA only 0.000 apart, marking (T0339)A106.CA as missing WARNING: atoms too close: (T0339)T91.CA and (T0339)A106.CA only 0.000 apart, marking (T0339)A106.CA as missing WARNING: atoms too close: (T0339)Q90.CA and (T0339)A106.CA only 0.000 apart, marking (T0339)A106.CA as missing WARNING: atoms too close: (T0339)K104.CB and (T0339)A106.CB only 0.000 apart, marking (T0339)A106.CB as missing WARNING: atoms too close: (T0339)V103.CB and (T0339)A106.CB only 0.000 apart, marking (T0339)A106.CB as missing WARNING: atoms too close: (T0339)P102.CB and (T0339)A106.CB only 0.000 apart, marking (T0339)A106.CB as missing WARNING: atoms too close: (T0339)S101.CB and (T0339)A106.CB only 0.000 apart, marking (T0339)A106.CB as missing WARNING: atoms too close: (T0339)H100.CB and (T0339)A106.CB only 0.000 apart, marking (T0339)A106.CB as missing WARNING: atoms too close: (T0339)H99.CB and (T0339)A106.CB only 0.000 apart, marking (T0339)A106.CB as missing WARNING: atoms too close: (T0339)T96.CB and (T0339)A106.CB only 0.000 apart, marking (T0339)A106.CB as missing WARNING: atoms too close: (T0339)H95.CB and (T0339)A106.CB only 0.000 apart, marking (T0339)A106.CB as missing WARNING: atoms too close: (T0339)K93.CB and (T0339)A106.CB only 0.000 apart, marking (T0339)A106.CB as missing WARNING: atoms too close: (T0339)S92.CB and (T0339)A106.CB only 0.000 apart, marking (T0339)A106.CB as missing WARNING: atoms too close: (T0339)T91.CB and (T0339)A106.CB only 0.000 apart, marking (T0339)A106.CB as missing WARNING: atoms too close: (T0339)Q90.CB and (T0339)A106.CB only 0.000 apart, marking (T0339)A106.CB as missing WARNING: atoms too close: (T0339)G105.O and (T0339)A106.O only 0.000 apart, marking (T0339)A106.O as missing WARNING: atoms too close: (T0339)K104.O and (T0339)A106.O only 0.000 apart, marking (T0339)A106.O as missing WARNING: atoms too close: (T0339)V103.O and (T0339)A106.O only 0.000 apart, marking (T0339)A106.O as missing WARNING: atoms too close: (T0339)P102.O and (T0339)A106.O only 0.000 apart, marking (T0339)A106.O as missing WARNING: atoms too close: (T0339)S101.O and (T0339)A106.O only 0.000 apart, marking (T0339)A106.O as missing WARNING: atoms too close: (T0339)H100.O and (T0339)A106.O only 0.000 apart, marking (T0339)A106.O as missing WARNING: atoms too close: (T0339)H99.O and (T0339)A106.O only 0.000 apart, marking (T0339)A106.O as missing WARNING: atoms too close: (T0339)G98.O and (T0339)A106.O only 0.000 apart, marking (T0339)A106.O as missing WARNING: atoms too close: (T0339)G97.O and (T0339)A106.O only 0.000 apart, marking (T0339)A106.O as missing WARNING: atoms too close: (T0339)T96.O and (T0339)A106.O only 0.000 apart, marking (T0339)A106.O as missing WARNING: atoms too close: (T0339)H95.O and (T0339)A106.O only 0.000 apart, marking (T0339)A106.O as missing WARNING: atoms too close: (T0339)G94.O and (T0339)A106.O only 0.000 apart, marking (T0339)A106.O as missing WARNING: atoms too close: (T0339)K93.O and (T0339)A106.O only 0.000 apart, marking (T0339)A106.O as missing WARNING: atoms too close: (T0339)S92.O and (T0339)A106.O only 0.000 apart, marking (T0339)A106.O as missing WARNING: atoms too close: (T0339)T91.O and (T0339)A106.O only 0.000 apart, marking (T0339)A106.O as missing WARNING: atoms too close: (T0339)Q90.O and (T0339)A106.O only 0.000 apart, marking (T0339)A106.O as missing WARNING: atoms too close: (T0339)G105.C and (T0339)A106.C only 0.000 apart, marking (T0339)A106.C as missing WARNING: atoms too close: (T0339)K104.C and (T0339)A106.C only 0.000 apart, marking (T0339)A106.C as missing WARNING: atoms too close: (T0339)V103.C and (T0339)A106.C only 0.000 apart, marking (T0339)A106.C as missing WARNING: atoms too close: (T0339)P102.C and (T0339)A106.C only 0.000 apart, marking (T0339)A106.C as missing WARNING: atoms too close: (T0339)S101.C and (T0339)A106.C only 0.000 apart, marking (T0339)A106.C as missing WARNING: atoms too close: (T0339)H100.C and (T0339)A106.C only 0.000 apart, marking (T0339)A106.C as missing WARNING: atoms too close: (T0339)H99.C and (T0339)A106.C only 0.000 apart, marking (T0339)A106.C as missing WARNING: atoms too close: (T0339)G98.C and (T0339)A106.C only 0.000 apart, marking (T0339)A106.C as missing WARNING: atoms too close: (T0339)G97.C and (T0339)A106.C only 0.000 apart, marking (T0339)A106.C as missing WARNING: atoms too close: (T0339)T96.C and (T0339)A106.C only 0.000 apart, marking (T0339)A106.C as missing WARNING: atoms too close: (T0339)H95.C and (T0339)A106.C only 0.000 apart, marking (T0339)A106.C as missing WARNING: atoms too close: (T0339)G94.C and (T0339)A106.C only 0.000 apart, marking (T0339)A106.C as missing WARNING: atoms too close: (T0339)K93.C and (T0339)A106.C only 0.000 apart, marking (T0339)A106.C as missing WARNING: atoms too close: (T0339)S92.C and (T0339)A106.C only 0.000 apart, marking (T0339)A106.C as missing WARNING: atoms too close: (T0339)T91.C and (T0339)A106.C only 0.000 apart, marking (T0339)A106.C as missing WARNING: atoms too close: (T0339)Q90.C and (T0339)A106.C only 0.000 apart, marking (T0339)A106.C as missing WARNING: atoms too close: (T0339)A106.N and (T0339)V140.N only 0.000 apart, marking (T0339)A106.N as missing WARNING: atoms too close: (T0339)G105.N and (T0339)V140.N only 0.000 apart, marking (T0339)G105.N as missing WARNING: atoms too close: (T0339)K104.N and (T0339)V140.N only 0.000 apart, marking (T0339)K104.N as missing WARNING: atoms too close: (T0339)V103.N and (T0339)V140.N only 0.000 apart, marking (T0339)V103.N as missing WARNING: atoms too close: (T0339)P102.N and (T0339)V140.N only 0.000 apart, marking (T0339)P102.N as missing WARNING: atoms too close: (T0339)S101.N and (T0339)V140.N only 0.000 apart, marking (T0339)S101.N as missing WARNING: atoms too close: (T0339)H100.N and (T0339)V140.N only 0.000 apart, marking (T0339)H100.N as missing WARNING: atoms too close: (T0339)H99.N and (T0339)V140.N only 0.000 apart, marking (T0339)H99.N as missing WARNING: atoms too close: (T0339)G98.N and (T0339)V140.N only 0.000 apart, marking (T0339)G98.N as missing WARNING: atoms too close: (T0339)G97.N and (T0339)V140.N only 0.000 apart, marking (T0339)G97.N as missing WARNING: atoms too close: (T0339)T96.N and (T0339)V140.N only 0.000 apart, marking (T0339)T96.N as missing WARNING: atoms too close: (T0339)H95.N and (T0339)V140.N only 0.000 apart, marking (T0339)H95.N as missing WARNING: atoms too close: (T0339)G94.N and (T0339)V140.N only 0.000 apart, marking (T0339)G94.N as missing WARNING: atoms too close: (T0339)K93.N and (T0339)V140.N only 0.000 apart, marking (T0339)K93.N as missing WARNING: atoms too close: (T0339)S92.N and (T0339)V140.N only 0.000 apart, marking (T0339)S92.N as missing WARNING: atoms too close: (T0339)T91.N and (T0339)V140.N only 0.000 apart, marking (T0339)T91.N as missing WARNING: atoms too close: (T0339)Q90.N and (T0339)V140.N only 0.000 apart, marking (T0339)V140.N as missing WARNING: atoms too close: (T0339)A106.CA and (T0339)V140.CA only 0.000 apart, marking (T0339)V140.CA as missing WARNING: atoms too close: (T0339)G105.CA and (T0339)V140.CA only 0.000 apart, marking (T0339)V140.CA as missing WARNING: atoms too close: (T0339)K104.CA and (T0339)V140.CA only 0.000 apart, marking (T0339)V140.CA as missing WARNING: atoms too close: (T0339)V103.CA and (T0339)V140.CA only 0.000 apart, marking (T0339)V140.CA as missing WARNING: atoms too close: (T0339)P102.CA and (T0339)V140.CA only 0.000 apart, marking (T0339)V140.CA as missing WARNING: atoms too close: (T0339)S101.CA and (T0339)V140.CA only 0.000 apart, marking (T0339)V140.CA as missing WARNING: atoms too close: (T0339)H100.CA and (T0339)V140.CA only 0.000 apart, marking (T0339)V140.CA as missing WARNING: atoms too close: (T0339)H99.CA and (T0339)V140.CA only 0.000 apart, marking (T0339)V140.CA as missing WARNING: atoms too close: (T0339)G98.CA and (T0339)V140.CA only 0.000 apart, marking (T0339)V140.CA as missing WARNING: atoms too close: (T0339)G97.CA and (T0339)V140.CA only 0.000 apart, marking (T0339)V140.CA as missing WARNING: atoms too close: (T0339)T96.CA and (T0339)V140.CA only 0.000 apart, marking (T0339)V140.CA as missing WARNING: atoms too close: (T0339)H95.CA and (T0339)V140.CA only 0.000 apart, marking (T0339)V140.CA as missing WARNING: atoms too close: (T0339)G94.CA and (T0339)V140.CA only 0.000 apart, marking (T0339)V140.CA as missing WARNING: atoms too close: (T0339)K93.CA and (T0339)V140.CA only 0.000 apart, marking (T0339)V140.CA as missing WARNING: atoms too close: (T0339)S92.CA and (T0339)V140.CA only 0.000 apart, marking (T0339)V140.CA as missing WARNING: atoms too close: (T0339)T91.CA and (T0339)V140.CA only 0.000 apart, marking (T0339)V140.CA as missing WARNING: atoms too close: (T0339)Q90.CA and (T0339)V140.CA only 0.000 apart, marking (T0339)V140.CA as missing WARNING: atoms too close: (T0339)A106.CB and (T0339)V140.CB only 0.000 apart, marking (T0339)V140.CB as missing WARNING: atoms too close: (T0339)K104.CB and (T0339)V140.CB only 0.000 apart, marking (T0339)V140.CB as missing WARNING: atoms too close: (T0339)V103.CB and (T0339)V140.CB only 0.000 apart, marking (T0339)V140.CB as missing WARNING: atoms too close: (T0339)P102.CB and (T0339)V140.CB only 0.000 apart, marking (T0339)V140.CB as missing WARNING: atoms too close: (T0339)S101.CB and (T0339)V140.CB only 0.000 apart, marking (T0339)V140.CB as missing WARNING: atoms too close: (T0339)H100.CB and (T0339)V140.CB only 0.000 apart, marking (T0339)V140.CB as missing WARNING: atoms too close: (T0339)H99.CB and (T0339)V140.CB only 0.000 apart, marking (T0339)V140.CB as missing WARNING: atoms too close: (T0339)T96.CB and (T0339)V140.CB only 0.000 apart, marking (T0339)V140.CB as missing WARNING: atoms too close: (T0339)H95.CB and (T0339)V140.CB only 0.000 apart, marking (T0339)V140.CB as missing WARNING: atoms too close: (T0339)K93.CB and (T0339)V140.CB only 0.000 apart, marking (T0339)V140.CB as missing WARNING: atoms too close: (T0339)S92.CB and (T0339)V140.CB only 0.000 apart, marking (T0339)V140.CB as missing WARNING: atoms too close: (T0339)T91.CB and (T0339)V140.CB only 0.000 apart, marking (T0339)V140.CB as missing WARNING: atoms too close: (T0339)Q90.CB and (T0339)V140.CB only 0.000 apart, marking (T0339)V140.CB as missing WARNING: atoms too close: (T0339)A106.O and (T0339)V140.O only 0.000 apart, marking (T0339)V140.O as missing WARNING: atoms too close: (T0339)G105.O and (T0339)V140.O only 0.000 apart, marking (T0339)V140.O as missing WARNING: atoms too close: (T0339)K104.O and (T0339)V140.O only 0.000 apart, marking (T0339)V140.O as missing WARNING: atoms too close: (T0339)V103.O and (T0339)V140.O only 0.000 apart, marking (T0339)V140.O as missing WARNING: atoms too close: (T0339)P102.O and (T0339)V140.O only 0.000 apart, marking (T0339)V140.O as missing WARNING: atoms too close: (T0339)S101.O and (T0339)V140.O only 0.000 apart, marking (T0339)V140.O as missing WARNING: atoms too close: (T0339)H100.O and (T0339)V140.O only 0.000 apart, marking (T0339)V140.O as missing WARNING: atoms too close: (T0339)H99.O and (T0339)V140.O only 0.000 apart, marking (T0339)V140.O as missing WARNING: atoms too close: (T0339)G98.O and (T0339)V140.O only 0.000 apart, marking (T0339)V140.O as missing WARNING: atoms too close: (T0339)G97.O and (T0339)V140.O only 0.000 apart, marking (T0339)V140.O as missing WARNING: atoms too close: (T0339)T96.O and (T0339)V140.O only 0.000 apart, marking (T0339)V140.O as missing WARNING: atoms too close: (T0339)H95.O and (T0339)V140.O only 0.000 apart, marking (T0339)V140.O as missing WARNING: atoms too close: (T0339)G94.O and (T0339)V140.O only 0.000 apart, marking (T0339)V140.O as missing WARNING: atoms too close: (T0339)K93.O and (T0339)V140.O only 0.000 apart, marking (T0339)V140.O as missing WARNING: atoms too close: (T0339)S92.O and (T0339)V140.O only 0.000 apart, marking (T0339)V140.O as missing WARNING: atoms too close: (T0339)T91.O and (T0339)V140.O only 0.000 apart, marking (T0339)V140.O as missing WARNING: atoms too close: (T0339)Q90.O and (T0339)V140.O only 0.000 apart, marking (T0339)V140.O as missing WARNING: atoms too close: (T0339)A106.C and (T0339)V140.C only 0.000 apart, marking (T0339)V140.C as missing WARNING: atoms too close: (T0339)G105.C and (T0339)V140.C only 0.000 apart, marking (T0339)V140.C as missing WARNING: atoms too close: (T0339)K104.C and (T0339)V140.C only 0.000 apart, marking (T0339)V140.C as missing WARNING: atoms too close: (T0339)V103.C and (T0339)V140.C only 0.000 apart, marking (T0339)V140.C as missing WARNING: atoms too close: (T0339)P102.C and (T0339)V140.C only 0.000 apart, marking (T0339)V140.C as missing WARNING: atoms too close: (T0339)S101.C and (T0339)V140.C only 0.000 apart, marking (T0339)V140.C as missing WARNING: atoms too close: (T0339)H100.C and (T0339)V140.C only 0.000 apart, marking (T0339)V140.C as missing WARNING: atoms too close: (T0339)H99.C and (T0339)V140.C only 0.000 apart, marking (T0339)V140.C as missing WARNING: atoms too close: (T0339)G98.C and (T0339)V140.C only 0.000 apart, marking (T0339)V140.C as missing WARNING: atoms too close: (T0339)G97.C and (T0339)V140.C only 0.000 apart, marking (T0339)V140.C as missing WARNING: atoms too close: (T0339)T96.C and (T0339)V140.C only 0.000 apart, marking (T0339)V140.C as missing WARNING: atoms too close: (T0339)H95.C and (T0339)V140.C only 0.000 apart, marking (T0339)V140.C as missing WARNING: atoms too close: (T0339)G94.C and (T0339)V140.C only 0.000 apart, marking (T0339)V140.C as missing WARNING: atoms too close: (T0339)K93.C and (T0339)V140.C only 0.000 apart, marking (T0339)V140.C as missing WARNING: atoms too close: (T0339)S92.C and (T0339)V140.C only 0.000 apart, marking (T0339)V140.C as missing WARNING: atoms too close: (T0339)T91.C and (T0339)V140.C only 0.000 apart, marking (T0339)V140.C as missing WARNING: atoms too close: (T0339)Q90.C and (T0339)V140.C only 0.000 apart, marking (T0339)V140.C as missing WARNING: atoms too close: (T0339)V140.N and (T0339)S141.N only 0.000 apart, marking (T0339)V140.N as missing WARNING: atoms too close: (T0339)A106.N and (T0339)S141.N only 0.000 apart, marking (T0339)A106.N as missing WARNING: atoms too close: (T0339)G105.N and (T0339)S141.N only 0.000 apart, marking (T0339)G105.N as missing WARNING: atoms too close: (T0339)K104.N and (T0339)S141.N only 0.000 apart, marking (T0339)K104.N as missing WARNING: atoms too close: (T0339)V103.N and (T0339)S141.N only 0.000 apart, marking (T0339)V103.N as missing WARNING: atoms too close: (T0339)P102.N and (T0339)S141.N only 0.000 apart, marking (T0339)P102.N as missing WARNING: atoms too close: (T0339)S101.N and (T0339)S141.N only 0.000 apart, marking (T0339)S101.N as missing WARNING: atoms too close: (T0339)H100.N and (T0339)S141.N only 0.000 apart, marking (T0339)H100.N as missing WARNING: atoms too close: (T0339)H99.N and (T0339)S141.N only 0.000 apart, marking (T0339)H99.N as missing WARNING: atoms too close: (T0339)G98.N and (T0339)S141.N only 0.000 apart, marking (T0339)G98.N as missing WARNING: atoms too close: (T0339)G97.N and (T0339)S141.N only 0.000 apart, marking (T0339)G97.N as missing WARNING: atoms too close: (T0339)T96.N and (T0339)S141.N only 0.000 apart, marking (T0339)T96.N as missing WARNING: atoms too close: (T0339)H95.N and (T0339)S141.N only 0.000 apart, marking (T0339)H95.N as missing WARNING: atoms too close: (T0339)G94.N and (T0339)S141.N only 0.000 apart, marking (T0339)G94.N as missing WARNING: atoms too close: (T0339)K93.N and (T0339)S141.N only 0.000 apart, marking (T0339)K93.N as missing WARNING: atoms too close: (T0339)S92.N and (T0339)S141.N only 0.000 apart, marking (T0339)S92.N as missing WARNING: atoms too close: (T0339)T91.N and (T0339)S141.N only 0.000 apart, marking (T0339)T91.N as missing WARNING: atoms too close: (T0339)Q90.N and (T0339)S141.N only 0.000 apart, marking (T0339)S141.N as missing WARNING: atoms too close: (T0339)V140.CA and (T0339)S141.CA only 0.000 apart, marking (T0339)S141.CA as missing WARNING: atoms too close: (T0339)A106.CA and (T0339)S141.CA only 0.000 apart, marking (T0339)S141.CA as missing WARNING: atoms too close: (T0339)G105.CA and (T0339)S141.CA only 0.000 apart, marking (T0339)S141.CA as missing WARNING: atoms too close: (T0339)K104.CA and (T0339)S141.CA only 0.000 apart, marking (T0339)S141.CA as missing WARNING: atoms too close: (T0339)V103.CA and (T0339)S141.CA only 0.000 apart, marking (T0339)S141.CA as missing WARNING: atoms too close: (T0339)P102.CA and (T0339)S141.CA only 0.000 apart, marking (T0339)S141.CA as missing WARNING: atoms too close: (T0339)S101.CA and (T0339)S141.CA only 0.000 apart, marking (T0339)S141.CA as missing WARNING: atoms too close: (T0339)H100.CA and (T0339)S141.CA only 0.000 apart, marking (T0339)S141.CA as missing WARNING: atoms too close: (T0339)H99.CA and (T0339)S141.CA only 0.000 apart, marking (T0339)S141.CA as missing WARNING: atoms too close: (T0339)G98.CA and (T0339)S141.CA only 0.000 apart, marking (T0339)S141.CA as missing WARNING: atoms too close: (T0339)G97.CA and (T0339)S141.CA only 0.000 apart, marking (T0339)S141.CA as missing WARNING: atoms too close: (T0339)T96.CA and (T0339)S141.CA only 0.000 apart, marking (T0339)S141.CA as missing WARNING: atoms too close: (T0339)H95.CA and (T0339)S141.CA only 0.000 apart, marking (T0339)S141.CA as missing WARNING: atoms too close: (T0339)G94.CA and (T0339)S141.CA only 0.000 apart, marking (T0339)S141.CA as missing WARNING: atoms too close: (T0339)K93.CA and (T0339)S141.CA only 0.000 apart, marking (T0339)S141.CA as missing WARNING: atoms too close: (T0339)S92.CA and (T0339)S141.CA only 0.000 apart, marking (T0339)S141.CA as missing WARNING: atoms too close: (T0339)T91.CA and (T0339)S141.CA only 0.000 apart, marking (T0339)S141.CA as missing WARNING: atoms too close: (T0339)Q90.CA and (T0339)S141.CA only 0.000 apart, marking (T0339)S141.CA as missing WARNING: atoms too close: (T0339)V140.CB and (T0339)S141.CB only 0.000 apart, marking (T0339)S141.CB as missing WARNING: atoms too close: (T0339)A106.CB and (T0339)S141.CB only 0.000 apart, marking (T0339)S141.CB as missing WARNING: atoms too close: (T0339)K104.CB and (T0339)S141.CB only 0.000 apart, marking (T0339)S141.CB as missing WARNING: atoms too close: (T0339)V103.CB and (T0339)S141.CB only 0.000 apart, marking (T0339)S141.CB as missing WARNING: atoms too close: (T0339)P102.CB and (T0339)S141.CB only 0.000 apart, marking (T0339)S141.CB as missing WARNING: atoms too close: (T0339)S101.CB and (T0339)S141.CB only 0.000 apart, marking (T0339)S141.CB as missing WARNING: atoms too close: (T0339)H100.CB and (T0339)S141.CB only 0.000 apart, marking (T0339)S141.CB as missing WARNING: atoms too close: (T0339)H99.CB and (T0339)S141.CB only 0.000 apart, marking (T0339)S141.CB as missing WARNING: atoms too close: (T0339)T96.CB and (T0339)S141.CB only 0.000 apart, marking (T0339)S141.CB as missing WARNING: atoms too close: (T0339)H95.CB and (T0339)S141.CB only 0.000 apart, marking (T0339)S141.CB as missing WARNING: atoms too close: (T0339)K93.CB and (T0339)S141.CB only 0.000 apart, marking (T0339)S141.CB as missing WARNING: atoms too close: (T0339)S92.CB and (T0339)S141.CB only 0.000 apart, marking (T0339)S141.CB as missing WARNING: atoms too close: (T0339)T91.CB and (T0339)S141.CB only 0.000 apart, marking (T0339)S141.CB as missing WARNING: atoms too close: (T0339)Q90.CB and (T0339)S141.CB only 0.000 apart, marking (T0339)S141.CB as missing WARNING: atoms too close: (T0339)V140.O and (T0339)S141.O only 0.000 apart, marking (T0339)S141.O as missing WARNING: atoms too close: (T0339)A106.O and (T0339)S141.O only 0.000 apart, marking (T0339)S141.O as missing WARNING: atoms too close: (T0339)G105.O and (T0339)S141.O only 0.000 apart, marking (T0339)S141.O as missing WARNING: atoms too close: (T0339)K104.O and (T0339)S141.O only 0.000 apart, marking (T0339)S141.O as missing WARNING: atoms too close: (T0339)V103.O and (T0339)S141.O only 0.000 apart, marking (T0339)S141.O as missing WARNING: atoms too close: (T0339)P102.O and (T0339)S141.O only 0.000 apart, marking (T0339)S141.O as missing WARNING: atoms too close: (T0339)S101.O and (T0339)S141.O only 0.000 apart, marking (T0339)S141.O as missing WARNING: atoms too close: (T0339)H100.O and (T0339)S141.O only 0.000 apart, marking (T0339)S141.O as missing WARNING: atoms too close: (T0339)H99.O and (T0339)S141.O only 0.000 apart, marking (T0339)S141.O as missing WARNING: atoms too close: (T0339)G98.O and (T0339)S141.O only 0.000 apart, marking (T0339)S141.O as missing WARNING: atoms too close: (T0339)G97.O and (T0339)S141.O only 0.000 apart, marking (T0339)S141.O as missing WARNING: atoms too close: (T0339)T96.O and (T0339)S141.O only 0.000 apart, marking (T0339)S141.O as missing WARNING: atoms too close: (T0339)H95.O and (T0339)S141.O only 0.000 apart, marking (T0339)S141.O as missing WARNING: atoms too close: (T0339)G94.O and (T0339)S141.O only 0.000 apart, marking (T0339)S141.O as missing WARNING: atoms too close: (T0339)K93.O and (T0339)S141.O only 0.000 apart, marking (T0339)S141.O as missing WARNING: atoms too close: (T0339)S92.O and (T0339)S141.O only 0.000 apart, marking (T0339)S141.O as missing WARNING: atoms too close: (T0339)T91.O and (T0339)S141.O only 0.000 apart, marking (T0339)S141.O as missing WARNING: atoms too close: (T0339)Q90.O and (T0339)S141.O only 0.000 apart, marking (T0339)S141.O as missing WARNING: atoms too close: (T0339)V140.C and (T0339)S141.C only 0.000 apart, marking (T0339)S141.C as missing WARNING: atoms too close: (T0339)A106.C and (T0339)S141.C only 0.000 apart, marking (T0339)S141.C as missing WARNING: atoms too close: (T0339)G105.C and (T0339)S141.C only 0.000 apart, marking (T0339)S141.C as missing WARNING: atoms too close: (T0339)K104.C and (T0339)S141.C only 0.000 apart, marking (T0339)S141.C as missing WARNING: atoms too close: (T0339)V103.C and (T0339)S141.C only 0.000 apart, marking (T0339)S141.C as missing WARNING: atoms too close: (T0339)P102.C and (T0339)S141.C only 0.000 apart, marking (T0339)S141.C as missing WARNING: atoms too close: (T0339)S101.C and (T0339)S141.C only 0.000 apart, marking (T0339)S141.C as missing WARNING: atoms too close: (T0339)H100.C and (T0339)S141.C only 0.000 apart, marking (T0339)S141.C as missing WARNING: atoms too close: (T0339)H99.C and (T0339)S141.C only 0.000 apart, marking (T0339)S141.C as missing WARNING: atoms too close: (T0339)G98.C and (T0339)S141.C only 0.000 apart, marking (T0339)S141.C as missing WARNING: atoms too close: (T0339)G97.C and (T0339)S141.C only 0.000 apart, marking (T0339)S141.C as missing WARNING: atoms too close: (T0339)T96.C and (T0339)S141.C only 0.000 apart, marking (T0339)S141.C as missing WARNING: atoms too close: (T0339)H95.C and (T0339)S141.C only 0.000 apart, marking (T0339)S141.C as missing WARNING: atoms too close: (T0339)G94.C and (T0339)S141.C only 0.000 apart, marking (T0339)S141.C as missing WARNING: atoms too close: (T0339)K93.C and (T0339)S141.C only 0.000 apart, marking (T0339)S141.C as missing WARNING: atoms too close: (T0339)S92.C and (T0339)S141.C only 0.000 apart, marking (T0339)S141.C as missing WARNING: atoms too close: (T0339)T91.C and (T0339)S141.C only 0.000 apart, marking (T0339)S141.C as missing WARNING: atoms too close: (T0339)Q90.C and (T0339)S141.C only 0.000 apart, marking (T0339)S141.C as missing WARNING: atoms too close: (T0339)S141.N and (T0339)Q190.N only 0.000 apart, marking (T0339)S141.N as missing WARNING: atoms too close: (T0339)V140.N and (T0339)Q190.N only 0.000 apart, marking (T0339)V140.N as missing WARNING: atoms too close: (T0339)A106.N and (T0339)Q190.N only 0.000 apart, marking (T0339)A106.N as missing WARNING: atoms too close: (T0339)G105.N and (T0339)Q190.N only 0.000 apart, marking (T0339)G105.N as missing WARNING: atoms too close: (T0339)K104.N and (T0339)Q190.N only 0.000 apart, marking (T0339)K104.N as missing WARNING: atoms too close: (T0339)V103.N and (T0339)Q190.N only 0.000 apart, marking (T0339)V103.N as missing WARNING: atoms too close: (T0339)P102.N and (T0339)Q190.N only 0.000 apart, marking (T0339)P102.N as missing WARNING: atoms too close: (T0339)S101.N and (T0339)Q190.N only 0.000 apart, marking (T0339)S101.N as missing WARNING: atoms too close: (T0339)H100.N and (T0339)Q190.N only 0.000 apart, marking (T0339)H100.N as missing WARNING: atoms too close: (T0339)H99.N and (T0339)Q190.N only 0.000 apart, marking (T0339)H99.N as missing WARNING: atoms too close: (T0339)G98.N and (T0339)Q190.N only 0.000 apart, marking (T0339)G98.N as missing WARNING: atoms too close: (T0339)G97.N and (T0339)Q190.N only 0.000 apart, marking (T0339)G97.N as missing WARNING: atoms too close: (T0339)T96.N and (T0339)Q190.N only 0.000 apart, marking (T0339)T96.N as missing WARNING: atoms too close: (T0339)H95.N and (T0339)Q190.N only 0.000 apart, marking (T0339)H95.N as missing WARNING: atoms too close: (T0339)G94.N and (T0339)Q190.N only 0.000 apart, marking (T0339)G94.N as missing WARNING: atoms too close: (T0339)K93.N and (T0339)Q190.N only 0.000 apart, marking (T0339)K93.N as missing WARNING: atoms too close: (T0339)S92.N and (T0339)Q190.N only 0.000 apart, marking (T0339)S92.N as missing WARNING: atoms too close: (T0339)T91.N and (T0339)Q190.N only 0.000 apart, marking (T0339)T91.N as missing WARNING: atoms too close: (T0339)Q90.N and (T0339)Q190.N only 0.000 apart, marking (T0339)Q190.N as missing WARNING: atoms too close: (T0339)S141.CA and (T0339)Q190.CA only 0.000 apart, marking (T0339)Q190.CA as missing WARNING: atoms too close: (T0339)V140.CA and (T0339)Q190.CA only 0.000 apart, marking (T0339)Q190.CA as missing WARNING: atoms too close: (T0339)A106.CA and (T0339)Q190.CA only 0.000 apart, marking (T0339)Q190.CA as missing WARNING: atoms too close: (T0339)G105.CA and (T0339)Q190.CA only 0.000 apart, marking (T0339)Q190.CA as missing WARNING: atoms too close: (T0339)K104.CA and (T0339)Q190.CA only 0.000 apart, marking (T0339)Q190.CA as missing WARNING: atoms too close: (T0339)V103.CA and (T0339)Q190.CA only 0.000 apart, marking (T0339)Q190.CA as missing WARNING: atoms too close: (T0339)P102.CA and (T0339)Q190.CA only 0.000 apart, marking (T0339)Q190.CA as missing WARNING: atoms too close: (T0339)S101.CA and (T0339)Q190.CA only 0.000 apart, marking (T0339)Q190.CA as missing WARNING: atoms too close: (T0339)H100.CA and (T0339)Q190.CA only 0.000 apart, marking (T0339)Q190.CA as missing WARNING: atoms too close: (T0339)H99.CA and (T0339)Q190.CA only 0.000 apart, marking (T0339)Q190.CA as missing WARNING: atoms too close: (T0339)G98.CA and (T0339)Q190.CA only 0.000 apart, marking (T0339)Q190.CA as missing WARNING: atoms too close: (T0339)G97.CA and (T0339)Q190.CA only 0.000 apart, marking (T0339)Q190.CA as missing WARNING: atoms too close: (T0339)T96.CA and (T0339)Q190.CA only 0.000 apart, marking (T0339)Q190.CA as missing WARNING: atoms too close: (T0339)H95.CA and (T0339)Q190.CA only 0.000 apart, marking (T0339)Q190.CA as missing WARNING: atoms too close: (T0339)G94.CA and (T0339)Q190.CA only 0.000 apart, marking (T0339)Q190.CA as missing WARNING: atoms too close: (T0339)K93.CA and (T0339)Q190.CA only 0.000 apart, marking (T0339)Q190.CA as missing WARNING: atoms too close: (T0339)S92.CA and (T0339)Q190.CA only 0.000 apart, marking (T0339)Q190.CA as missing WARNING: atoms too close: (T0339)T91.CA and (T0339)Q190.CA only 0.000 apart, marking (T0339)Q190.CA as missing WARNING: atoms too close: (T0339)Q90.CA and (T0339)Q190.CA only 0.000 apart, marking (T0339)Q190.CA as missing WARNING: atoms too close: (T0339)S141.CB and (T0339)Q190.CB only 0.000 apart, marking (T0339)Q190.CB as missing WARNING: atoms too close: (T0339)V140.CB and (T0339)Q190.CB only 0.000 apart, marking (T0339)Q190.CB as missing WARNING: atoms too close: (T0339)A106.CB and (T0339)Q190.CB only 0.000 apart, marking (T0339)Q190.CB as missing WARNING: atoms too close: (T0339)K104.CB and (T0339)Q190.CB only 0.000 apart, marking (T0339)Q190.CB as missing WARNING: atoms too close: (T0339)V103.CB and (T0339)Q190.CB only 0.000 apart, marking (T0339)Q190.CB as missing WARNING: atoms too close: (T0339)P102.CB and (T0339)Q190.CB only 0.000 apart, marking (T0339)Q190.CB as missing WARNING: atoms too close: (T0339)S101.CB and (T0339)Q190.CB only 0.000 apart, marking (T0339)Q190.CB as missing WARNING: atoms too close: (T0339)H100.CB and (T0339)Q190.CB only 0.000 apart, marking (T0339)Q190.CB as missing WARNING: atoms too close: (T0339)H99.CB and (T0339)Q190.CB only 0.000 apart, marking (T0339)Q190.CB as missing WARNING: atoms too close: (T0339)T96.CB and (T0339)Q190.CB only 0.000 apart, marking (T0339)Q190.CB as missing WARNING: atoms too close: (T0339)H95.CB and (T0339)Q190.CB only 0.000 apart, marking (T0339)Q190.CB as missing WARNING: atoms too close: (T0339)K93.CB and (T0339)Q190.CB only 0.000 apart, marking (T0339)Q190.CB as missing WARNING: atoms too close: (T0339)S92.CB and (T0339)Q190.CB only 0.000 apart, marking (T0339)Q190.CB as missing WARNING: atoms too close: (T0339)T91.CB and (T0339)Q190.CB only 0.000 apart, marking (T0339)Q190.CB as missing WARNING: atoms too close: (T0339)Q90.CB and (T0339)Q190.CB only 0.000 apart, marking (T0339)Q190.CB as missing WARNING: atoms too close: (T0339)S141.O and (T0339)Q190.O only 0.000 apart, marking (T0339)Q190.O as missing WARNING: atoms too close: (T0339)V140.O and (T0339)Q190.O only 0.000 apart, marking (T0339)Q190.O as missing WARNING: atoms too close: (T0339)A106.O and (T0339)Q190.O only 0.000 apart, marking (T0339)Q190.O as missing WARNING: atoms too close: (T0339)G105.O and (T0339)Q190.O only 0.000 apart, marking (T0339)Q190.O as missing WARNING: atoms too close: (T0339)K104.O and (T0339)Q190.O only 0.000 apart, marking (T0339)Q190.O as missing WARNING: atoms too close: (T0339)V103.O and (T0339)Q190.O only 0.000 apart, marking (T0339)Q190.O as missing WARNING: atoms too close: (T0339)P102.O and (T0339)Q190.O only 0.000 apart, marking (T0339)Q190.O as missing WARNING: atoms too close: (T0339)S101.O and (T0339)Q190.O only 0.000 apart, marking (T0339)Q190.O as missing WARNING: atoms too close: (T0339)H100.O and (T0339)Q190.O only 0.000 apart, marking (T0339)Q190.O as missing WARNING: atoms too close: (T0339)H99.O and (T0339)Q190.O only 0.000 apart, marking (T0339)Q190.O as missing WARNING: atoms too close: (T0339)G98.O and (T0339)Q190.O only 0.000 apart, marking (T0339)Q190.O as missing WARNING: atoms too close: (T0339)G97.O and (T0339)Q190.O only 0.000 apart, marking (T0339)Q190.O as missing WARNING: atoms too close: (T0339)T96.O and (T0339)Q190.O only 0.000 apart, marking (T0339)Q190.O as missing WARNING: atoms too close: (T0339)H95.O and (T0339)Q190.O only 0.000 apart, marking (T0339)Q190.O as missing WARNING: atoms too close: (T0339)G94.O and (T0339)Q190.O only 0.000 apart, marking (T0339)Q190.O as missing WARNING: atoms too close: (T0339)K93.O and (T0339)Q190.O only 0.000 apart, marking (T0339)Q190.O as missing WARNING: atoms too close: (T0339)S92.O and (T0339)Q190.O only 0.000 apart, marking (T0339)Q190.O as missing WARNING: atoms too close: (T0339)T91.O and (T0339)Q190.O only 0.000 apart, marking (T0339)Q190.O as missing WARNING: atoms too close: (T0339)Q90.O and (T0339)Q190.O only 0.000 apart, marking (T0339)Q190.O as missing WARNING: atoms too close: (T0339)S141.C and (T0339)Q190.C only 0.000 apart, marking (T0339)Q190.C as missing WARNING: atoms too close: (T0339)V140.C and (T0339)Q190.C only 0.000 apart, marking (T0339)Q190.C as missing WARNING: atoms too close: (T0339)A106.C and (T0339)Q190.C only 0.000 apart, marking (T0339)Q190.C as missing WARNING: atoms too close: (T0339)G105.C and (T0339)Q190.C only 0.000 apart, marking (T0339)Q190.C as missing WARNING: atoms too close: (T0339)K104.C and (T0339)Q190.C only 0.000 apart, marking (T0339)Q190.C as missing WARNING: atoms too close: (T0339)V103.C and (T0339)Q190.C only 0.000 apart, marking (T0339)Q190.C as missing WARNING: atoms too close: (T0339)P102.C and (T0339)Q190.C only 0.000 apart, marking (T0339)Q190.C as missing WARNING: atoms too close: (T0339)S101.C and (T0339)Q190.C only 0.000 apart, marking (T0339)Q190.C as missing WARNING: atoms too close: (T0339)H100.C and (T0339)Q190.C only 0.000 apart, marking (T0339)Q190.C as missing WARNING: atoms too close: (T0339)H99.C and (T0339)Q190.C only 0.000 apart, marking (T0339)Q190.C as missing WARNING: atoms too close: (T0339)G98.C and (T0339)Q190.C only 0.000 apart, marking (T0339)Q190.C as missing WARNING: atoms too close: (T0339)G97.C and (T0339)Q190.C only 0.000 apart, marking (T0339)Q190.C as missing WARNING: atoms too close: (T0339)T96.C and (T0339)Q190.C only 0.000 apart, marking (T0339)Q190.C as missing WARNING: atoms too close: (T0339)H95.C and (T0339)Q190.C only 0.000 apart, marking (T0339)Q190.C as missing WARNING: atoms too close: (T0339)G94.C and (T0339)Q190.C only 0.000 apart, marking (T0339)Q190.C as missing WARNING: atoms too close: (T0339)K93.C and (T0339)Q190.C only 0.000 apart, marking (T0339)Q190.C as missing WARNING: atoms too close: (T0339)S92.C and (T0339)Q190.C only 0.000 apart, marking (T0339)Q190.C as missing WARNING: atoms too close: (T0339)T91.C and (T0339)Q190.C only 0.000 apart, marking (T0339)Q190.C as missing WARNING: atoms too close: (T0339)Q90.C and (T0339)Q190.C only 0.000 apart, marking (T0339)Q190.C as missing WARNING: atoms too close: (T0339)Q190.N and (T0339)E191.N only 0.000 apart, marking (T0339)Q190.N as missing WARNING: atoms too close: (T0339)S141.N and (T0339)E191.N only 0.000 apart, marking (T0339)S141.N as missing WARNING: atoms too close: (T0339)V140.N and (T0339)E191.N only 0.000 apart, marking (T0339)V140.N as missing WARNING: atoms too close: (T0339)A106.N and (T0339)E191.N only 0.000 apart, marking (T0339)A106.N as missing WARNING: atoms too close: (T0339)G105.N and (T0339)E191.N only 0.000 apart, marking (T0339)G105.N as missing WARNING: atoms too close: (T0339)K104.N and (T0339)E191.N only 0.000 apart, marking (T0339)K104.N as missing WARNING: atoms too close: (T0339)V103.N and (T0339)E191.N only 0.000 apart, marking (T0339)V103.N as missing WARNING: atoms too close: (T0339)P102.N and (T0339)E191.N only 0.000 apart, marking (T0339)P102.N as missing WARNING: atoms too close: (T0339)S101.N and (T0339)E191.N only 0.000 apart, marking (T0339)S101.N as missing WARNING: atoms too close: (T0339)H100.N and (T0339)E191.N only 0.000 apart, marking (T0339)H100.N as missing WARNING: atoms too close: (T0339)H99.N and (T0339)E191.N only 0.000 apart, marking (T0339)H99.N as missing WARNING: atoms too close: (T0339)G98.N and (T0339)E191.N only 0.000 apart, marking (T0339)G98.N as missing WARNING: atoms too close: (T0339)G97.N and (T0339)E191.N only 0.000 apart, marking (T0339)G97.N as missing WARNING: atoms too close: (T0339)T96.N and (T0339)E191.N only 0.000 apart, marking (T0339)T96.N as missing WARNING: atoms too close: (T0339)H95.N and (T0339)E191.N only 0.000 apart, marking (T0339)H95.N as missing WARNING: atoms too close: (T0339)G94.N and (T0339)E191.N only 0.000 apart, marking (T0339)G94.N as missing WARNING: atoms too close: (T0339)K93.N and (T0339)E191.N only 0.000 apart, marking (T0339)K93.N as missing WARNING: atoms too close: (T0339)S92.N and (T0339)E191.N only 0.000 apart, marking (T0339)S92.N as missing WARNING: atoms too close: (T0339)T91.N and (T0339)E191.N only 0.000 apart, marking (T0339)T91.N as missing WARNING: atoms too close: (T0339)Q90.N and (T0339)E191.N only 0.000 apart, marking (T0339)E191.N as missing WARNING: atoms too close: (T0339)Q190.CA and (T0339)E191.CA only 0.000 apart, marking (T0339)E191.CA as missing WARNING: atoms too close: (T0339)S141.CA and (T0339)E191.CA only 0.000 apart, marking (T0339)E191.CA as missing WARNING: atoms too close: (T0339)V140.CA and (T0339)E191.CA only 0.000 apart, marking (T0339)E191.CA as missing WARNING: atoms too close: (T0339)A106.CA and (T0339)E191.CA only 0.000 apart, marking (T0339)E191.CA as missing WARNING: atoms too close: (T0339)G105.CA and (T0339)E191.CA only 0.000 apart, marking (T0339)E191.CA as missing WARNING: atoms too close: (T0339)K104.CA and (T0339)E191.CA only 0.000 apart, marking (T0339)E191.CA as missing WARNING: atoms too close: (T0339)V103.CA and (T0339)E191.CA only 0.000 apart, marking (T0339)E191.CA as missing WARNING: atoms too close: (T0339)P102.CA and (T0339)E191.CA only 0.000 apart, marking (T0339)E191.CA as missing WARNING: atoms too close: (T0339)S101.CA and (T0339)E191.CA only 0.000 apart, marking (T0339)E191.CA as missing WARNING: atoms too close: (T0339)H100.CA and (T0339)E191.CA only 0.000 apart, marking (T0339)E191.CA as missing WARNING: atoms too close: (T0339)H99.CA and (T0339)E191.CA only 0.000 apart, marking (T0339)E191.CA as missing WARNING: atoms too close: (T0339)G98.CA and (T0339)E191.CA only 0.000 apart, marking (T0339)E191.CA as missing WARNING: atoms too close: (T0339)G97.CA and (T0339)E191.CA only 0.000 apart, marking (T0339)E191.CA as missing WARNING: atoms too close: (T0339)T96.CA and (T0339)E191.CA only 0.000 apart, marking (T0339)E191.CA as missing WARNING: atoms too close: (T0339)H95.CA and (T0339)E191.CA only 0.000 apart, marking (T0339)E191.CA as missing WARNING: atoms too close: (T0339)G94.CA and (T0339)E191.CA only 0.000 apart, marking (T0339)E191.CA as missing WARNING: atoms too close: (T0339)K93.CA and (T0339)E191.CA only 0.000 apart, marking (T0339)E191.CA as missing WARNING: atoms too close: (T0339)S92.CA and (T0339)E191.CA only 0.000 apart, marking (T0339)E191.CA as missing WARNING: atoms too close: (T0339)T91.CA and (T0339)E191.CA only 0.000 apart, marking (T0339)E191.CA as missing WARNING: atoms too close: (T0339)Q90.CA and (T0339)E191.CA only 0.000 apart, marking (T0339)E191.CA as missing WARNING: atoms too close: (T0339)Q190.CB and (T0339)E191.CB only 0.000 apart, marking (T0339)E191.CB as missing WARNING: atoms too close: (T0339)S141.CB and (T0339)E191.CB only 0.000 apart, marking (T0339)E191.CB as missing WARNING: atoms too close: (T0339)V140.CB and (T0339)E191.CB only 0.000 apart, marking (T0339)E191.CB as missing WARNING: atoms too close: (T0339)A106.CB and (T0339)E191.CB only 0.000 apart, marking (T0339)E191.CB as missing WARNING: atoms too close: (T0339)K104.CB and (T0339)E191.CB only 0.000 apart, marking (T0339)E191.CB as missing WARNING: atoms too close: (T0339)V103.CB and (T0339)E191.CB only 0.000 apart, marking (T0339)E191.CB as missing WARNING: atoms too close: (T0339)P102.CB and (T0339)E191.CB only 0.000 apart, marking (T0339)E191.CB as missing WARNING: atoms too close: (T0339)S101.CB and (T0339)E191.CB only 0.000 apart, marking (T0339)E191.CB as missing WARNING: atoms too close: (T0339)H100.CB and (T0339)E191.CB only 0.000 apart, marking (T0339)E191.CB as missing WARNING: atoms too close: (T0339)H99.CB and (T0339)E191.CB only 0.000 apart, marking (T0339)E191.CB as missing WARNING: atoms too close: (T0339)T96.CB and (T0339)E191.CB only 0.000 apart, marking (T0339)E191.CB as missing WARNING: atoms too close: (T0339)H95.CB and (T0339)E191.CB only 0.000 apart, marking (T0339)E191.CB as missing WARNING: atoms too close: (T0339)K93.CB and (T0339)E191.CB only 0.000 apart, marking (T0339)E191.CB as missing WARNING: atoms too close: (T0339)S92.CB and (T0339)E191.CB only 0.000 apart, marking (T0339)E191.CB as missing WARNING: atoms too close: (T0339)T91.CB and (T0339)E191.CB only 0.000 apart, marking (T0339)E191.CB as missing WARNING: atoms too close: (T0339)Q90.CB and (T0339)E191.CB only 0.000 apart, marking (T0339)E191.CB as missing WARNING: atoms too close: (T0339)Q190.O and (T0339)E191.O only 0.000 apart, marking (T0339)E191.O as missing WARNING: atoms too close: (T0339)S141.O and (T0339)E191.O only 0.000 apart, marking (T0339)E191.O as missing WARNING: atoms too close: (T0339)V140.O and (T0339)E191.O only 0.000 apart, marking (T0339)E191.O as missing WARNING: atoms too close: (T0339)A106.O and (T0339)E191.O only 0.000 apart, marking (T0339)E191.O as missing WARNING: atoms too close: (T0339)G105.O and (T0339)E191.O only 0.000 apart, marking (T0339)E191.O as missing WARNING: atoms too close: (T0339)K104.O and (T0339)E191.O only 0.000 apart, marking (T0339)E191.O as missing WARNING: atoms too close: (T0339)V103.O and (T0339)E191.O only 0.000 apart, marking (T0339)E191.O as missing WARNING: atoms too close: (T0339)P102.O and (T0339)E191.O only 0.000 apart, marking (T0339)E191.O as missing WARNING: atoms too close: (T0339)S101.O and (T0339)E191.O only 0.000 apart, marking (T0339)E191.O as missing WARNING: atoms too close: (T0339)H100.O and (T0339)E191.O only 0.000 apart, marking (T0339)E191.O as missing WARNING: atoms too close: (T0339)H99.O and (T0339)E191.O only 0.000 apart, marking (T0339)E191.O as missing WARNING: atoms too close: (T0339)G98.O and (T0339)E191.O only 0.000 apart, marking (T0