# 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 (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)Q190.C and (T0339)E191.C only 0.000 apart, marking (T0339)E191.C as missing WARNING: atoms too close: (T0339)S141.C and (T0339)E191.C only 0.000 apart, marking (T0339)E191.C as missing WARNING: atoms too close: (T0339)V140.C and (T0339)E191.C only 0.000 apart, marking (T0339)E191.C as missing WARNING: atoms too close: (T0339)A106.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)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)S141.N and (T0339)R192.N only 0.000 apart, marking (T0339)S141.N as missing WARNING: atoms too close: (T0339)V140.N and (T0339)R192.N only 0.000 apart, marking (T0339)V140.N as missing WARNING: atoms too close: (T0339)A106.N and (T0339)R192.N only 0.000 apart, marking (T0339)A106.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)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)S141.CA and (T0339)R192.CA only 0.000 apart, marking (T0339)R192.CA as missing WARNING: atoms too close: (T0339)V140.CA and (T0339)R192.CA only 0.000 apart, marking (T0339)R192.CA as missing WARNING: atoms too close: (T0339)A106.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)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)S141.CB and (T0339)R192.CB only 0.000 apart, marking (T0339)R192.CB as missing WARNING: atoms too close: (T0339)V140.CB and (T0339)R192.CB only 0.000 apart, marking (T0339)R192.CB as missing WARNING: atoms too close: (T0339)A106.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)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)S141.O and (T0339)R192.O only 0.000 apart, marking (T0339)R192.O as missing WARNING: atoms too close: (T0339)V140.O and (T0339)R192.O only 0.000 apart, marking (T0339)R192.O as missing WARNING: atoms too close: (T0339)A106.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)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)S141.C and (T0339)R192.C only 0.000 apart, marking (T0339)R192.C as missing WARNING: atoms too close: (T0339)V140.C and (T0339)R192.C only 0.000 apart, marking (T0339)R192.C as missing WARNING: atoms too close: (T0339)A106.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)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)S141.N and (T0339)V193.N only 0.000 apart, marking (T0339)S141.N as missing WARNING: atoms too close: (T0339)V140.N and (T0339)V193.N only 0.000 apart, marking (T0339)V140.N as missing WARNING: atoms too close: (T0339)A106.N and (T0339)V193.N only 0.000 apart, marking (T0339)A106.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)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)S141.CA and (T0339)V193.CA only 0.000 apart, marking (T0339)V193.CA as missing WARNING: atoms too close: (T0339)V140.CA and (T0339)V193.CA only 0.000 apart, marking (T0339)V193.CA as missing WARNING: atoms too close: (T0339)A106.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)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)S141.CB and (T0339)V193.CB only 0.000 apart, marking (T0339)V193.CB as missing WARNING: atoms too close: (T0339)V140.CB and (T0339)V193.CB only 0.000 apart, marking (T0339)V193.CB as missing WARNING: atoms too close: (T0339)A106.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)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)S141.O and (T0339)V193.O only 0.000 apart, marking (T0339)V193.O as missing WARNING: atoms too close: (T0339)V140.O and (T0339)V193.O only 0.000 apart, marking (T0339)V193.O as missing WARNING: atoms too close: (T0339)A106.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)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)S141.C and (T0339)V193.C only 0.000 apart, marking (T0339)V193.C as missing WARNING: atoms too close: (T0339)V140.C and (T0339)V193.C only 0.000 apart, marking (T0339)V193.C as missing WARNING: atoms too close: (T0339)A106.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)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)S141.N and (T0339)A194.N only 0.000 apart, marking (T0339)S141.N as missing WARNING: atoms too close: (T0339)V140.N and (T0339)A194.N only 0.000 apart, marking (T0339)V140.N as missing WARNING: atoms too close: (T0339)A106.N and (T0339)A194.N only 0.000 apart, marking (T0339)A106.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)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)S141.CA and (T0339)A194.CA only 0.000 apart, marking (T0339)A194.CA as missing WARNING: atoms too close: (T0339)V140.CA and (T0339)A194.CA only 0.000 apart, marking (T0339)A194.CA as missing WARNING: atoms too close: (T0339)A106.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)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)S141.CB and (T0339)A194.CB only 0.000 apart, marking (T0339)A194.CB as missing WARNING: atoms too close: (T0339)V140.CB and (T0339)A194.CB only 0.000 apart, marking (T0339)A194.CB as missing WARNING: atoms too close: (T0339)A106.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)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)S141.O and (T0339)A194.O only 0.000 apart, marking (T0339)A194.O as missing WARNING: atoms too close: (T0339)V140.O and (T0339)A194.O only 0.000 apart, marking (T0339)A194.O as missing WARNING: atoms too close: (T0339)A106.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)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)S141.C and (T0339)A194.C only 0.000 apart, marking (T0339)A194.C as missing WARNING: atoms too close: (T0339)V140.C and (T0339)A194.C only 0.000 apart, marking (T0339)A194.C as missing WARNING: atoms too close: (T0339)A106.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)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)S141.N and (T0339)A195.N only 0.000 apart, marking (T0339)S141.N as missing WARNING: atoms too close: (T0339)V140.N and (T0339)A195.N only 0.000 apart, marking (T0339)V140.N as missing WARNING: atoms too close: (T0339)A106.N and (T0339)A195.N only 0.000 apart, marking (T0339)A106.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)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)S141.CA and (T0339)A195.CA only 0.000 apart, marking (T0339)A195.CA as missing WARNING: atoms too close: (T0339)V140.CA and (T0339)A195.CA only 0.000 apart, marking (T0339)A195.CA as missing WARNING: atoms too close: (T0339)A106.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)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)S141.CB and (T0339)A195.CB only 0.000 apart, marking (T0339)A195.CB as missing WARNING: atoms too close: (T0339)V140.CB and (T0339)A195.CB only 0.000 apart, marking (T0339)A195.CB as missing WARNING: atoms too close: (T0339)A106.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)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)S141.O and (T0339)A195.O only 0.000 apart, marking (T0339)A195.O as missing WARNING: atoms too close: (T0339)V140.O and (T0339)A195.O only 0.000 apart, marking (T0339)A195.O as missing WARNING: atoms too close: (T0339)A106.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)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)S141.C and (T0339)A195.C only 0.000 apart, marking (T0339)A195.C as missing WARNING: atoms too close: (T0339)V140.C and (T0339)A195.C only 0.000 apart, marking (T0339)A195.C as missing WARNING: atoms too close: (T0339)A106.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)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)S141.N and (T0339)G196.N only 0.000 apart, marking (T0339)S141.N as missing WARNING: atoms too close: (T0339)V140.N and (T0339)G196.N only 0.000 apart, marking (T0339)V140.N as missing WARNING: atoms too close: (T0339)A106.N and (T0339)G196.N only 0.000 apart, marking (T0339)A106.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)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)S141.CA and (T0339)G196.CA only 0.000 apart, marking (T0339)G196.CA as missing WARNING: atoms too close: (T0339)V140.CA and (T0339)G196.CA only 0.000 apart, marking (T0339)G196.CA as missing WARNING: atoms too close: (T0339)A106.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)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)S141.O and (T0339)G196.O only 0.000 apart, marking (T0339)G196.O as missing WARNING: atoms too close: (T0339)V140.O and (T0339)G196.O only 0.000 apart, marking (T0339)G196.O as missing WARNING: atoms too close: (T0339)A106.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)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)S141.C and (T0339)G196.C only 0.000 apart, marking (T0339)G196.C as missing WARNING: atoms too close: (T0339)V140.C and (T0339)G196.C only 0.000 apart, marking (T0339)G196.C as missing WARNING: atoms too close: (T0339)A106.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)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)S141.N and (T0339)L197.N only 0.000 apart, marking (T0339)S141.N as missing WARNING: atoms too close: (T0339)V140.N and (T0339)L197.N only 0.000 apart, marking (T0339)V140.N as missing WARNING: atoms too close: (T0339)A106.N and (T0339)L197.N only 0.000 apart, marking (T0339)A106.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)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)S141.CA and (T0339)L197.CA only 0.000 apart, marking (T0339)L197.CA as missing WARNING: atoms too close: (T0339)V140.CA and (T0339)L197.CA only 0.000 apart, marking (T0339)L197.CA as missing WARNING: atoms too close: (T0339)A106.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)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)S141.CB and (T0339)L197.CB only 0.000 apart, marking (T0339)L197.CB as missing WARNING: atoms too close: (T0339)V140.CB and (T0339)L197.CB only 0.000 apart, marking (T0339)L197.CB as missing WARNING: atoms too close: (T0339)A106.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)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)S141.O and (T0339)L197.O only 0.000 apart, marking (T0339)L197.O as missing WARNING: atoms too close: (T0339)V140.O and (T0339)L197.O only 0.000 apart, marking (T0339)L197.O as missing WARNING: atoms too close: (T0339)A106.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)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)S141.C and (T0339)L197.C only 0.000 apart, marking (T0339)L197.C as missing WARNING: atoms too close: (T0339)V140.C and (T0339)L197.C only 0.000 apart, marking (T0339)L197.C as missing WARNING: atoms too close: (T0339)A106.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)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)S141.N and (T0339)P198.N only 0.000 apart, marking (T0339)S141.N as missing WARNING: atoms too close: (T0339)V140.N and (T0339)P198.N only 0.000 apart, marking (T0339)V140.N as missing WARNING: atoms too close: (T0339)A106.N and (T0339)P198.N only 0.000 apart, marking (T0339)A106.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)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)S141.CA and (T0339)P198.CA only 0.000 apart, marking (T0339)P198.CA as missing WARNING: atoms too close: (T0339)V140.CA and (T0339)P198.CA only 0.000 apart, marking (T0339)P198.CA as missing WARNING: atoms too close: (T0339)A106.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)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)S141.CB and (T0339)P198.CB only 0.000 apart, marking (T0339)P198.CB as missing WARNING: atoms too close: (T0339)V140.CB and (T0339)P198.CB only 0.000 apart, marking (T0339)P198.CB as missing WARNING: atoms too close: (T0339)A106.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)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)S141.O and (T0339)P198.O only 0.000 apart, marking (T0339)P198.O as missing WARNING: atoms too close: (T0339)V140.O and (T0339)P198.O only 0.000 apart, marking (T0339)P198.O as missing WARNING: atoms too close: (T0339)A106.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)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)S141.C and (T0339)P198.C only 0.000 apart, marking (T0339)P198.C as missing WARNING: atoms too close: (T0339)V140.C and (T0339)P198.C only 0.000 apart, marking (T0339)P198.C as missing WARNING: atoms too close: (T0339)A106.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)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)S141.N and (T0339)P199.N only 0.000 apart, marking (T0339)S141.N as missing WARNING: atoms too close: (T0339)V140.N and (T0339)P199.N only 0.000 apart, marking (T0339)V140.N as missing WARNING: atoms too close: (T0339)A106.N and (T0339)P199.N only 0.000 apart, marking (T0339)A106.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)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)S141.CA and (T0339)P199.CA only 0.000 apart, marking (T0339)P199.CA as missing WARNING: atoms too close: (T0339)V140.CA and (T0339)P199.CA only 0.000 apart, marking (T0339)P199.CA as missing WARNING: atoms too close: (T0339)A106.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)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)S141.CB and (T0339)P199.CB only 0.000 apart, marking (T0339)P199.CB as missing WARNING: atoms too close: (T0339)V140.CB and (T0339)P199.CB only 0.000 apart, marking (T0339)P199.CB as missing WARNING: atoms too close: (T0339)A106.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)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)S141.O and (T0339)P199.O only 0.000 apart, marking (T0339)P199.O as missing WARNING: atoms too close: (T0339)V140.O and (T0339)P199.O only 0.000 apart, marking (T0339)P199.O as missing WARNING: atoms too close: (T0339)A106.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)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)S141.C and (T0339)P199.C only 0.000 apart, marking (T0339)P199.C as missing WARNING: atoms too close: (T0339)V140.C and (T0339)P199.C only 0.000 apart, marking (T0339)P199.C as missing WARNING: atoms too close: (T0339)A106.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)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)S141.N and (T0339)P250.N only 0.000 apart, marking (T0339)S141.N as missing WARNING: atoms too close: (T0339)V140.N and (T0339)P250.N only 0.000 apart, marking (T0339)V140.N as missing WARNING: atoms too close: (T0339)A106.N and (T0339)P250.N only 0.000 apart, marking (T0339)A106.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)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)S141.CA and (T0339)P250.CA only 0.000 apart, marking (T0339)P250.CA as missing WARNING: atoms too close: (T0339)V140.CA and (T0339)P250.CA only 0.000 apart, marking (T0339)P250.CA as missing WARNING: atoms too close: (T0339)A106.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)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)S141.CB and (T0339)P250.CB only 0.000 apart, marking (T0339)P250.CB as missing WARNING: atoms too close: (T0339)V140.CB and (T0339)P250.CB only 0.000 apart, marking (T0339)P250.CB as missing WARNING: atoms too close: (T0339)A106.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)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)S141.O and (T0339)P250.O only 0.000 apart, marking (T0339)P250.O as missing WARNING: atoms too close: (T0339)V140.O and (T0339)P250.O only 0.000 apart, marking (T0339)P250.O as missing WARNING: atoms too close: (T0339)A106.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)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)S141.C and (T0339)P250.C only 0.000 apart, marking (T0339)P250.C as missing WARNING: atoms too close: (T0339)V140.C and (T0339)P250.C only 0.000 apart, marking (T0339)P250.C as missing WARNING: atoms too close: (T0339)A106.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)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)S141.N and (T0339)A308.N only 0.000 apart, marking (T0339)S141.N as missing WARNING: atoms too close: (T0339)V140.N and (T0339)A308.N only 0.000 apart, marking (T0339)V140.N as missing WARNING: atoms too close: (T0339)A106.N and (T0339)A308.N only 0.000 apart, marking (T0339)A106.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)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)S141.CA and (T0339)A308.CA only 0.000 apart, marking (T0339)A308.CA as missing WARNING: atoms too close: (T0339)V140.CA and (T0339)A308.CA only 0.000 apart, marking (T0339)A308.CA as missing WARNING: atoms too close: (T0339)A106.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)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)S141.CB and (T0339)A308.CB only 0.000 apart, marking (T0339)A308.CB as missing WARNING: atoms too close: (T0339)V140.CB and (T0339)A308.CB only 0.000 apart, marking (T0339)A308.CB as missing WARNING: atoms too close: (T0339)A106.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)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)S141.O and (T0339)A308.O only 0.000 apart, marking (T0339)A308.O as missing WARNING: atoms too close: (T0339)V140.O and (T0339)A308.O only 0.000 apart, marking (T0339)A308.O as missing WARNING: atoms too close: (T0339)A106.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)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)S141.C and (T0339)A308.C only 0.000 apart, marking (T0339)A308.C as missing WARNING: atoms too close: (T0339)V140.C and (T0339)A308.C only 0.000 apart, marking (T0339)A308.C as missing WARNING: atoms too close: (T0339)A106.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)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)S141.N and (T0339)E309.N only 0.000 apart, marking (T0339)S141.N as missing WARNING: atoms too close: (T0339)V140.N and (T0339)E309.N only 0.000 apart, marking (T0339)V140.N as missing WARNING: atoms too close: (T0339)A106.N and (T0339)E309.N only 0.000 apart, marking (T0339)A106.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)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)S141.CA and (T0339)E309.CA only 0.000 apart, marking (T0339)E309.CA as missing WARNING: atoms too close: (T0339)V140.CA and (T0339)E309.CA only 0.000 apart, marking (T0339)E309.CA as missing WARNING: atoms too close: (T0339)A106.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)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)S141.CB and (T0339)E309.CB only 0.000 apart, marking (T0339)E309.CB as missing WARNING: atoms too close: (T0339)V140.CB and (T0339)E309.CB only 0.000 apart, marking (T0339)E309.CB as missing WARNING: atoms too close: (T0339)A106.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)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)S141.O and (T0339)E309.O only 0.000 apart, marking (T0339)E309.O as missing WARNING: atoms too close: (T0339)V140.O and (T0339)E309.O only 0.000 apart, marking (T0339)E309.O as missing WARNING: atoms too close: (T0339)A106.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)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)S141.C and (T0339)E309.C only 0.000 apart, marking (T0339)E309.C as missing WARNING: atoms too close: (T0339)V140.C and (T0339)E309.C only 0.000 apart, marking (T0339)E309.C as missing WARNING: atoms too close: (T0339)A106.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)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)S141.N and (T0339)F310.N only 0.000 apart, marking (T0339)S141.N as missing WARNING: atoms too close: (T0339)V140.N and (T0339)F310.N only 0.000 apart, marking (T0339)V140.N as missing WARNING: atoms too close: (T0339)A106.N and (T0339)F310.N only 0.000 apart, marking (T0339)A106.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)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)S141.CA and (T0339)F310.CA only 0.000 apart, marking (T0339)F310.CA as missing WARNING: atoms too close: (T0339)V140.CA and (T0339)F310.CA only 0.000 apart, marking (T0339)F310.CA as missing WARNING: atoms too close: (T0339)A106.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)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)S141.CB and (T0339)F310.CB only 0.000 apart, marking (T0339)F310.CB as missing WARNING: atoms too close: (T0339)V140.CB and (T0339)F310.CB only 0.000 apart, marking (T0339)F310.CB as missing WARNING: atoms too close: (T0339)A106.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)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)S141.O and (T0339)F310.O only 0.000 apart, marking (T0339)F310.O as missing WARNING: atoms too close: (T0339)V140.O and (T0339)F310.O only 0.000 apart, marking (T0339)F310.O as missing WARNING: atoms too close: (T0339)A106.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)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)S141.C and (T0339)F310.C only 0.000 apart, marking (T0339)F310.C as missing WARNING: atoms too close: (T0339)V140.C and (T0339)F310.C only 0.000 apart, marking (T0339)F310.C as missing WARNING: atoms too close: (T0339)A106.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)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)S141.N and (T0339)P322.N only 0.000 apart, marking (T0339)S141.N as missing WARNING: atoms too close: (T0339)V140.N and (T0339)P322.N only 0.000 apart, marking (T0339)V140.N as missing WARNING: atoms too close: (T0339)A106.N and (T0339)P322.N only 0.000 apart, marking (T0339)A106.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)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)S141.CA and (T0339)P322.CA only 0.000 apart, marking (T0339)P322.CA as missing WARNING: atoms too close: (T0339)V140.CA and (T0339)P322.CA only 0.000 apart, marking (T0339)P322.CA as missing WARNING: atoms too close: (T0339)A106.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)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)S141.CB and (T0339)P322.CB only 0.000 apart, marking (T0339)P322.CB as missing WARNING: atoms too close: (T0339)V140.CB and (T0339)P322.CB only 0.000 apart, marking (T0339)P322.CB as missing WARNING: atoms too close: (T0339)A106.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)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)S141.O and (T0339)P322.O only 0.000 apart, marking (T0339)P322.O as missing WARNING: atoms too close: (T0339)V140.O and (T0339)P322.O only 0.000 apart, marking (T0339)P322.O as missing WARNING: atoms too close: (T0339)A106.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)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)S141.C and (T0339)P322.C only 0.000 apart, marking (T0339)P322.C as missing WARNING: atoms too close: (T0339)V140.C and (T0339)P322.C only 0.000 apart, marking (T0339)P322.C as missing WARNING: atoms too close: (T0339)A106.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)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)S141.N and (T0339)G323.N only 0.000 apart, marking (T0339)S141.N as missing WARNING: atoms too close: (T0339)V140.N and (T0339)G323.N only 0.000 apart, marking (T0339)V140.N as missing WARNING: atoms too close: (T0339)A106.N and (T0339)G323.N only 0.000 apart, marking (T0339)A106.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)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)S141.CA and (T0339)G323.CA only 0.000 apart, marking (T0339)G323.CA as missing WARNING: atoms too close: (T0339)V140.CA and (T0339)G323.CA only 0.000 apart, marking (T0339)G323.CA as missing WARNING: atoms too close: (T0339)A106.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)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)S141.O and (T0339)G323.O only 0.000 apart, marking (T0339)G323.O as missing WARNING: atoms too close: (T0339)V140.O and (T0339)G323.O only 0.000 apart, marking (T0339)G323.O as missing WARNING: atoms too close: (T0339)A106.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)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)S141.C and (T0339)G323.C only 0.000 apart, marking (T0339)G323.C as missing WARNING: atoms too close: (T0339)V140.C and (T0339)G323.C only 0.000 apart, marking (T0339)G323.C as missing WARNING: atoms too close: (T0339)A106.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)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)S141.N and (T0339)G337.N only 0.000 apart, marking (T0339)S141.N as missing WARNING: atoms too close: (T0339)V140.N and (T0339)G337.N only 0.000 apart, marking (T0339)V140.N as missing WARNING: atoms too close: (T0339)A106.N and (T0339)G337.N only 0.000 apart, marking (T0339)A106.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)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)S141.CA and (T0339)G337.CA only 0.000 apart, marking (T0339)G337.CA as missing WARNING: atoms too close: (T0339)V140.CA and (T0339)G337.CA only 0.000 apart, marking (T0339)G337.CA as missing WARNING: atoms too close: (T0339)A106.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)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)S141.O and (T0339)G337.O only 0.000 apart, marking (T0339)G337.O as missing WARNING: atoms too close: (T0339)V140.O and (T0339)G337.O only 0.000 apart, marking (T0339)G337.O as missing WARNING: atoms too close: (T0339)A106.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)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)S141.C and (T0339)G337.C only 0.000 apart, marking (T0339)G337.C as missing WARNING: atoms too close: (T0339)V140.C and (T0339)G337.C only 0.000 apart, marking (T0339)G337.C as missing WARNING: atoms too close: (T0339)A106.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)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)S141.N and (T0339)P338.N only 0.000 apart, marking (T0339)S141.N as missing WARNING: atoms too close: (T0339)V140.N and (T0339)P338.N only 0.000 apart, marking (T0339)V140.N as missing WARNING: atoms too close: (T0339)A106.N and (T0339)P338.N only 0.000 apart, marking (T0339)A106.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)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)S141.CA and (T0339)P338.CA only 0.000 apart, marking (T0339)P338.CA as missing WARNING: atoms too close: (T0339)V140.CA and (T0339)P338.CA only 0.000 apart, marking (T0339)P338.CA as missing WARNING: atoms too close: (T0339)A106.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)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)S141.CB and (T0339)P338.CB only 0.000 apart, marking (T0339)P338.CB as missing WARNING: atoms too close: (T0339)V140.CB and (T0339)P338.CB only 0.000 apart, marking (T0339)P338.CB as missing WARNING: atoms too close: (T0339)A106.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)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)S141.O and (T0339)P338.O only 0.000 apart, marking (T0339)P338.O as missing WARNING: atoms too close: (T0339)V140.O and (T0339)P338.O only 0.000 apart, marking (T0339)P338.O as missing WARNING: atoms too close: (T0339)A106.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)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)S141.C and (T0339)P338.C only 0.000 apart, marking (T0339)P338.C as missing WARNING: atoms too close: (T0339)V140.C and (T0339)P338.C only 0.000 apart, marking (T0339)P338.C as missing WARNING: atoms too close: (T0339)A106.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)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)S141.N and (T0339)D363.N only 0.000 apart, marking (T0339)S141.N as missing WARNING: atoms too close: (T0339)V140.N and (T0339)D363.N only 0.000 apart, marking (T0339)V140.N as missing WARNING: atoms too close: (T0339)A106.N and (T0339)D363.N only 0.000 apart, marking (T0339)A106.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)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)S141.CA and (T0339)D363.CA only 0.000 apart, marking (T0339)D363.CA as missing WARNING: atoms too close: (T0339)V140.CA and (T0339)D363.CA only 0.000 apart, marking (T0339)D363.CA as missing WARNING: atoms too close: (T0339)A106.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)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)S141.CB and (T0339)D363.CB only 0.000 apart, marking (T0339)D363.CB as missing WARNING: atoms too close: (T0339)V140.CB and (T0339)D363.CB only 0.000 apart, marking (T0339)D363.CB as missing WARNING: atoms too close: (T0339)A106.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)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)S141.O and (T0339)D363.O only 0.000 apart, marking (T0339)D363.O as missing WARNING: atoms too close: (T0339)V140.O and (T0339)D363.O only 0.000 apart, marking (T0339)D363.O as missing WARNING: atoms too close: (T0339)A106.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)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)S141.C and (T0339)D363.C only 0.000 apart, marking (T0339)D363.C as missing WARNING: atoms too close: (T0339)V140.C and (T0339)D363.C only 0.000 apart, marking (T0339)D363.C as missing WARNING: atoms too close: (T0339)A106.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: incomplete conformation T0339 can't currently be optimized by undertaker # naming current conformation panther3_TS1 # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # Found a chain break before 412 # copying to AlignedFragments data structure # naming current conformation shub_TS1 # command:Using radius: 8.0000 Using models AND alignments for constraints model score -0.1870 model score -0.1476 model score -0.1589 model score -0.1673 model score -0.1896 model score -0.1583 model score -0.1617 model score -0.1807 model score -0.1828 model score -0.1811 model score -0.1983 model score -0.1490 model score -0.1645 model score -0.2068 model score -0.2172 model score -0.3372 model score -0.3370 model score -0.2629 model score -0.2541 model score -0.2201 model score 1.9247 model score 1.9036 model score 2.0438 model score 2.1231 model score 2.0640 model score 0.0634 model score -0.4184 model score -0.4199 model score -0.3703 model score -0.3883 model score -0.3417 model score -0.3290 model score -0.3290 model score -0.3376 model score -0.4123 model score -0.3901 model score -0.1621 model score -0.2670 model score -0.1016 model score -0.2277 model score -0.1904 model score -0.0550 model score 1.2610 model score 1.2744 model score 1.2801 model score 1.2648 model score 1.2667 model score -0.4122 model score -0.2770 model score -0.2837 model score -0.2774 model score -0.3412 model score -0.2968 model score -0.3290 model score -0.4123 model score -0.4123 model score -0.3289 model score -0.4143 model score -0.3810 model score -0.3764 model score -0.4155 model score -0.4022 model score 1.2695 model score 1.2600 model score 1.2741 model score 1.2728 model score 1.2732 model score 1.2741 model score 1.2769 model score 1.2747 model score 1.2748 model score 1.2727 model score 2.4112 model score 2.5842 model score 2.3465 model score 2.4603 model score 2.5543 model score -0.3748 model score 0.2207 model score -0.2756 model score 0.0213 model score 0.5750 model score 1.2575 model score 1.2709 model score 1.2583 model score 1.2613 model score 1.2621 model score -0.3957 model score -0.3289 model score -0.2397 model score -0.3289 model score -0.2558 model score -0.3760 model score 0.0414 model score 0.2806 model score -0.1944 model score -0.3760 model score 0.2200 model score 0.2171 model score 0.2497 model score -0.2412 model score -0.3938 model score 0.2786 model score 0.2463 model score 0.2406 model score -0.3961 model score -0.2738 model score -0.1722 model score -0.1449 model score -0.3289 model score -0.4096 model score -0.4137 model score -0.3917 model score -0.3565 model score -0.1513 model score -0.4249 model score -0.4160 model score -0.4220 model score -0.4031 model score -0.3569 model score -0.3122 model score -0.2892 model score -0.3128 model score -0.2853 model score -0.1364 model score 0.3550 model score -0.1535 model score -0.1527 model score -0.1491 model score -0.1416 model score -0.1517 model score -0.2665 model score -0.3284 model score 0.0064 model score -0.2287 model score 0.0749 model score -0.3557 model score -0.4182 model score -0.2713 model score -0.2302 model score -0.3763 model score -0.2794 model score -0.2396 model score -0.2398 model score -0.2749 model score -0.2632 model score -0.2365 model score -0.2739 model score -0.2789 model score -0.3472 model score -0.2713 model score -0.3565 model score -0.2609 model score -0.2279 model score -0.1801 model score -0.3893 model score -0.3726 model score -0.3298 model score 0.0431 model score -0.2317 model score -0.3653 model score -0.0158 model score -0.3804 model score -0.0316 model score -0.2553 model score -0.3740 model score -0.0548 model score -0.2836 model score -0.2734 model score -0.2894 model score -0.2724 model score -0.2837 model score -0.2845 model score -0.2984 model score -0.2882 model score -0.1198 model score -0.1976 model score 1.2593 model score 1.2579 model score 1.2582 model score 1.2575 model score 1.2576 model score 1.2571 model score 1.2574 model score 1.2578 model score 1.2580 model score 1.2589 model score -0.3133 model score -0.3797 model score -0.2652 model score 0.6248 model score -0.1439 model score -0.2279 model score -0.2609 model score -0.2450 model score -0.1801 model score -0.0626 model score -0.2836 model score -0.2842 model score -0.2686 model score -0.2838 model score -0.0450 model score -0.2279 model score -0.2601 model score -0.2353 model score -0.1618 model score -0.0315 model score 1.2575 model score 1.2594 model score 1.2577 model score 1.2584 model score 1.2581 model score -0.4159 model score 1.2575 model score 1.2594 model score 1.2577 model score 1.2584 model score 1.2581 model score -0.2693 model score -0.3091 model score -0.2972 model score -0.2786 model score -0.2899 model score -0.3811 model score -0.3620 model score 1.2574 model score 1.2576 model score 1.2581 model score 1.2583 model score 1.2590 model score 1.2620 model score 1.2607 model score 1.2601 model score 1.2607 model score 1.2597 model score -0.3029 model score -0.2736 model score -0.2885 model score -0.3001 model score -0.1410 model score 2.3006 model score 2.2650 model score 2.5429 model score 2.2923 model score -0.3400 model score -0.3555 model score -0.1761 model score 0.0959 model score 0.2334 model score -0.2866 model score -0.2960 model score -0.2960 model score -0.2317 model score -0.2685 model score 0.5422 model score 0.3550 model score 0.3580 model score 0.4236 model score 0.2575 model score 0.5421 model score -0.4206 model score -0.3561 model score -0.2382 USE_META, weight: 0.9289 cost: -0.1870 min: -0.4249 max: 2.5842 USE_META, weight: 0.9171 cost: -0.1476 min: -0.4249 max: 2.5842 USE_META, weight: 0.9205 cost: -0.1589 min: -0.4249 max: 2.5842 USE_META, weight: 0.9230 cost: -0.1673 min: -0.4249 max: 2.5842 USE_META, weight: 0.9296 cost: -0.1896 min: -0.4249 max: 2.5842 USE_META, weight: 0.9203 cost: -0.1583 min: -0.4249 max: 2.5842 USE_META, weight: 0.9213 cost: -0.1617 min: -0.4249 max: 2.5842 USE_META, weight: 0.9270 cost: -0.1807 min: -0.4249 max: 2.5842 USE_META, weight: 0.9276 cost: -0.1828 min: -0.4249 max: 2.5842 USE_META, weight: 0.9271 cost: -0.1811 min: -0.4249 max: 2.5842 USE_META, weight: 0.9322 cost: -0.1983 min: -0.4249 max: 2.5842 USE_META, weight: 0.9175 cost: -0.1490 min: -0.4249 max: 2.5842 USE_META, weight: 0.9221 cost: -0.1645 min: -0.4249 max: 2.5842 USE_META, weight: 0.9348 cost: -0.2068 min: -0.4249 max: 2.5842 USE_META, weight: 0.9379 cost: -0.2172 min: -0.4249 max: 2.5842 USE_META, weight: 0.9738 cost: -0.3372 min: -0.4249 max: 2.5842 USE_META, weight: 0.9737 cost: -0.3370 min: -0.4249 max: 2.5842 USE_META, weight: 0.9516 cost: -0.2629 min: -0.4249 max: 2.5842 USE_META, weight: 0.9489 cost: -0.2541 min: -0.4249 max: 2.5842 USE_META, weight: 0.9387 cost: -0.2201 min: -0.4249 max: 2.5842 USE_META, weight: 0.2973 cost: 1.9247 min: -0.4249 max: 2.5842 USE_META, weight: 0.3036 cost: 1.9036 min: -0.4249 max: 2.5842 USE_META, weight: 0.2616 cost: 2.0438 min: -0.4249 max: 2.5842 USE_META, weight: 0.2379 cost: 2.1231 min: -0.4249 max: 2.5842 USE_META, weight: 0.2556 cost: 2.0640 min: -0.4249 max: 2.5842 USE_META, weight: 0.8540 cost: 0.0634 min: -0.4249 max: 2.5842 USE_META, weight: 0.9981 cost: -0.4184 min: -0.4249 max: 2.5842 USE_META, weight: 0.9985 cost: -0.4199 min: -0.4249 max: 2.5842 USE_META, weight: 0.9837 cost: -0.3703 min: -0.4249 max: 2.5842 USE_META, weight: 0.9891 cost: -0.3883 min: -0.4249 max: 2.5842 USE_META, weight: 0.9751 cost: -0.3417 min: -0.4249 max: 2.5842 USE_META, weight: 0.9713 cost: -0.3290 min: -0.4249 max: 2.5842 USE_META, weight: 0.9713 cost: -0.3290 min: -0.4249 max: 2.5842 USE_META, weight: 0.9739 cost: -0.3376 min: -0.4249 max: 2.5842 USE_META, weight: 0.9962 cost: -0.4123 min: -0.4249 max: 2.5842 USE_META, weight: 0.9896 cost: -0.3901 min: -0.4249 max: 2.5842 USE_META, weight: 0.9214 cost: -0.1621 min: -0.4249 max: 2.5842 USE_META, weight: 0.9528 cost: -0.2670 min: -0.4249 max: 2.5842 USE_META, weight: 0.9033 cost: -0.1016 min: -0.4249 max: 2.5842 USE_META, weight: 0.9410 cost: -0.2277 min: -0.4249 max: 2.5842 USE_META, weight: 0.9299 cost: -0.1904 min: -0.4249 max: 2.5842 USE_META, weight: 0.8894 cost: -0.0550 min: -0.4249 max: 2.5842 USE_META, weight: 0.4958 cost: 1.2610 min: -0.4249 max: 2.5842 USE_META, weight: 0.4917 cost: 1.2744 min: -0.4249 max: 2.5842 USE_META, weight: 0.4900 cost: 1.2801 min: -0.4249 max: 2.5842 USE_META, weight: 0.4946 cost: 1.2648 min: -0.4249 max: 2.5842 USE_META, weight: 0.4941 cost: 1.2667 min: -0.4249 max: 2.5842 USE_META, weight: 0.9962 cost: -0.4122 min: -0.4249 max: 2.5842 USE_META, weight: 0.9558 cost: -0.2770 min: -0.4249 max: 2.5842 USE_META, weight: 0.9578 cost: -0.2837 min: -0.4249 max: 2.5842 USE_META, weight: 0.9559 cost: -0.2774 min: -0.4249 max: 2.5842 USE_META, weight: 0.9750 cost: -0.3412 min: -0.4249 max: 2.5842 USE_META, weight: 0.9617 cost: -0.2968 min: -0.4249 max: 2.5842 USE_META, weight: 0.9713 cost: -0.3290 min: -0.4249 max: 2.5842 USE_META, weight: 0.9962 cost: -0.4123 min: -0.4249 max: 2.5842 USE_META, weight: 0.9962 cost: -0.4123 min: -0.4249 max: 2.5842 USE_META, weight: 0.9713 cost: -0.3289 min: -0.4249 max: 2.5842 USE_META, weight: 0.9968 cost: -0.4143 min: -0.4249 max: 2.5842 USE_META, weight: 0.9869 cost: -0.3810 min: -0.4249 max: 2.5842 USE_META, weight: 0.9855 cost: -0.3764 min: -0.4249 max: 2.5842 USE_META, weight: 0.9972 cost: -0.4155 min: -0.4249 max: 2.5842 USE_META, weight: 0.9932 cost: -0.4022 min: -0.4249 max: 2.5842 USE_META, weight: 0.4932 cost: 1.2695 min: -0.4249 max: 2.5842 USE_META, weight: 0.4961 cost: 1.2600 min: -0.4249 max: 2.5842 USE_META, weight: 0.4919 cost: 1.2741 min: -0.4249 max: 2.5842 USE_META, weight: 0.4922 cost: 1.2728 min: -0.4249 max: 2.5842 USE_META, weight: 0.4921 cost: 1.2732 min: -0.4249 max: 2.5842 USE_META, weight: 0.4919 cost: 1.2741 min: -0.4249 max: 2.5842 USE_META, weight: 0.4910 cost: 1.2769 min: -0.4249 max: 2.5842 USE_META, weight: 0.4917 cost: 1.2747 min: -0.4249 max: 2.5842 USE_META, weight: 0.4916 cost: 1.2748 min: -0.4249 max: 2.5842 USE_META, weight: 0.4923 cost: 1.2727 min: -0.4249 max: 2.5842 USE_META, weight: 0.1517 cost: 2.4112 min: -0.4249 max: 2.5842 USE_META, weight: 0.1000 cost: 2.5842 min: -0.4249 max: 2.5842 USE_META, weight: 0.1711 cost: 2.3465 min: -0.4249 max: 2.5842 USE_META, weight: 0.1371 cost: 2.4603 min: -0.4249 max: 2.5842 USE_META, weight: 0.1089 cost: 2.5543 min: -0.4249 max: 2.5842 USE_META, weight: 0.9850 cost: -0.3748 min: -0.4249 max: 2.5842 USE_META, weight: 0.8069 cost: 0.2207 min: -0.4249 max: 2.5842 USE_META, weight: 0.9553 cost: -0.2756 min: -0.4249 max: 2.5842 USE_META, weight: 0.8666 cost: 0.0213 min: -0.4249 max: 2.5842 USE_META, weight: 0.7009 cost: 0.5750 min: -0.4249 max: 2.5842 USE_META, weight: 0.4968 cost: 1.2575 min: -0.4249 max: 2.5842 USE_META, weight: 0.4928 cost: 1.2709 min: -0.4249 max: 2.5842 USE_META, weight: 0.4966 cost: 1.2583 min: -0.4249 max: 2.5842 USE_META, weight: 0.4957 cost: 1.2613 min: -0.4249 max: 2.5842 USE_META, weight: 0.4954 cost: 1.2621 min: -0.4249 max: 2.5842 USE_META, weight: 0.9913 cost: -0.3957 min: -0.4249 max: 2.5842 USE_META, weight: 0.9713 cost: -0.3289 min: -0.4249 max: 2.5842 USE_META, weight: 0.9446 cost: -0.2397 min: -0.4249 max: 2.5842 USE_META, weight: 0.9713 cost: -0.3289 min: -0.4249 max: 2.5842 USE_META, weight: 0.9494 cost: -0.2558 min: -0.4249 max: 2.5842 USE_META, weight: 0.9854 cost: -0.3760 min: -0.4249 max: 2.5842 USE_META, weight: 0.8605 cost: 0.0414 min: -0.4249 max: 2.5842 USE_META, weight: 0.7890 cost: 0.2806 min: -0.4249 max: 2.5842 USE_META, weight: 0.9311 cost: -0.1944 min: -0.4249 max: 2.5842 USE_META, weight: 0.9854 cost: -0.3760 min: -0.4249 max: 2.5842 USE_META, weight: 0.8071 cost: 0.2200 min: -0.4249 max: 2.5842 USE_META, weight: 0.8080 cost: 0.2171 min: -0.4249 max: 2.5842 USE_META, weight: 0.7982 cost: 0.2497 min: -0.4249 max: 2.5842 USE_META, weight: 0.9451 cost: -0.2412 min: -0.4249 max: 2.5842 USE_META, weight: 0.9907 cost: -0.3938 min: -0.4249 max: 2.5842 USE_META, weight: 0.7896 cost: 0.2786 min: -0.4249 max: 2.5842 USE_META, weight: 0.7993 cost: 0.2463 min: -0.4249 max: 2.5842 USE_META, weight: 0.8010 cost: 0.2406 min: -0.4249 max: 2.5842 USE_META, weight: 0.9914 cost: -0.3961 min: -0.4249 max: 2.5842 USE_META, weight: 0.9548 cost: -0.2738 min: -0.4249 max: 2.5842 USE_META, weight: 0.9244 cost: -0.1722 min: -0.4249 max: 2.5842 USE_META, weight: 0.9163 cost: -0.1449 min: -0.4249 max: 2.5842 USE_META, weight: 0.9713 cost: -0.3289 min: -0.4249 max: 2.5842 USE_META, weight: 0.9954 cost: -0.4096 min: -0.4249 max: 2.5842 USE_META, weight: 0.9967 cost: -0.4137 min: -0.4249 max: 2.5842 USE_META, weight: 0.9901 cost: -0.3917 min: -0.4249 max: 2.5842 USE_META, weight: 0.9796 cost: -0.3565 min: -0.4249 max: 2.5842 USE_META, weight: 0.9182 cost: -0.1513 min: -0.4249 max: 2.5842 USE_META, weight: 1.0000 cost: -0.4249 min: -0.4249 max: 2.5842 USE_META, weight: 0.9974 cost: -0.4160 min: -0.4249 max: 2.5842 USE_META, weight: 0.9992 cost: -0.4220 min: -0.4249 max: 2.5842 USE_META, weight: 0.9935 cost: -0.4031 min: -0.4249 max: 2.5842 USE_META, weight: 0.9797 cost: -0.3569 min: -0.4249 max: 2.5842 USE_META, weight: 0.9663 cost: -0.3122 min: -0.4249 max: 2.5842 USE_META, weight: 0.9594 cost: -0.2892 min: -0.4249 max: 2.5842 USE_META, weight: 0.9665 cost: -0.3128 min: -0.4249 max: 2.5842 USE_META, weight: 0.9583 cost: -0.2853 min: -0.4249 max: 2.5842 USE_META, weight: 0.9137 cost: -0.1364 min: -0.4249 max: 2.5842 USE_META, weight: 0.7667 cost: 0.3550 min: -0.4249 max: 2.5842 USE_META, weight: 0.9188 cost: -0.1535 min: -0.4249 max: 2.5842 USE_META, weight: 0.9186 cost: -0.1527 min: -0.4249 max: 2.5842 USE_META, weight: 0.9175 cost: -0.1491 min: -0.4249 max: 2.5842 USE_META, weight: 0.9153 cost: -0.1416 min: -0.4249 max: 2.5842 USE_META, weight: 0.9183 cost: -0.1517 min: -0.4249 max: 2.5842 USE_META, weight: 0.9526 cost: -0.2665 min: -0.4249 max: 2.5842 USE_META, weight: 0.9711 cost: -0.3284 min: -0.4249 max: 2.5842 USE_META, weight: 0.8710 cost: 0.0064 min: -0.4249 max: 2.5842 USE_META, weight: 0.9413 cost: -0.2287 min: -0.4249 max: 2.5842 USE_META, weight: 0.8505 cost: 0.0749 min: -0.4249 max: 2.5842 USE_META, weight: 0.9793 cost: -0.3557 min: -0.4249 max: 2.5842 USE_META, weight: 0.9980 cost: -0.4182 min: -0.4249 max: 2.5842 USE_META, weight: 0.9541 cost: -0.2713 min: -0.4249 max: 2.5842 USE_META, weight: 0.9418 cost: -0.2302 min: -0.4249 max: 2.5842 USE_META, weight: 0.9855 cost: -0.3763 min: -0.4249 max: 2.5842 USE_META, weight: 0.9565 cost: -0.2794 min: -0.4249 max: 2.5842 USE_META, weight: 0.9446 cost: -0.2396 min: -0.4249 max: 2.5842 USE_META, weight: 0.9446 cost: -0.2398 min: -0.4249 max: 2.5842 USE_META, weight: 0.9551 cost: -0.2749 min: -0.4249 max: 2.5842 USE_META, weight: 0.9516 cost: -0.2632 min: -0.4249 max: 2.5842 USE_META, weight: 0.9437 cost: -0.2365 min: -0.4249 max: 2.5842 USE_META, weight: 0.9548 cost: -0.2739 min: -0.4249 max: 2.5842 USE_META, weight: 0.9563 cost: -0.2789 min: -0.4249 max: 2.5842 USE_META, weight: 0.9768 cost: -0.3472 min: -0.4249 max: 2.5842 USE_META, weight: 0.9541 cost: -0.2713 min: -0.4249 max: 2.5842 USE_META, weight: 0.9796 cost: -0.3565 min: -0.4249 max: 2.5842 USE_META, weight: 0.9510 cost: -0.2609 min: -0.4249 max: 2.5842 USE_META, weight: 0.9411 cost: -0.2279 min: -0.4249 max: 2.5842 USE_META, weight: 0.9268 cost: -0.1801 min: -0.4249 max: 2.5842 USE_META, weight: 0.9894 cost: -0.3893 min: -0.4249 max: 2.5842 USE_META, weight: 0.9844 cost: -0.3726 min: -0.4249 max: 2.5842 USE_META, weight: 0.9716 cost: -0.3298 min: -0.4249 max: 2.5842 USE_META, weight: 0.8600 cost: 0.0431 min: -0.4249 max: 2.5842 USE_META, weight: 0.9422 cost: -0.2317 min: -0.4249 max: 2.5842 USE_META, weight: 0.9822 cost: -0.3653 min: -0.4249 max: 2.5842 USE_META, weight: 0.8777 cost: -0.0158 min: -0.4249 max: 2.5842 USE_META, weight: 0.9867 cost: -0.3804 min: -0.4249 max: 2.5842 USE_META, weight: 0.8824 cost: -0.0316 min: -0.4249 max: 2.5842 USE_META, weight: 0.9493 cost: -0.2553 min: -0.4249 max: 2.5842 USE_META, weight: 0.9848 cost: -0.3740 min: -0.4249 max: 2.5842 USE_META, weight: 0.8893 cost: -0.0548 min: -0.4249 max: 2.5842 USE_META, weight: 0.9577 cost: -0.2836 min: -0.4249 max: 2.5842 USE_META, weight: 0.9547 cost: -0.2734 min: -0.4249 max: 2.5842 USE_META, weight: 0.9595 cost: -0.2894 min: -0.4249 max: 2.5842 USE_META, weight: 0.9544 cost: -0.2724 min: -0.4249 max: 2.5842 USE_META, weight: 0.9578 cost: -0.2837 min: -0.4249 max: 2.5842 USE_META, weight: 0.9580 cost: -0.2845 min: -0.4249 max: 2.5842 USE_META, weight: 0.9622 cost: -0.2984 min: -0.4249 max: 2.5842 USE_META, weight: 0.9591 cost: -0.2882 min: -0.4249 max: 2.5842 USE_META, weight: 0.9088 cost: -0.1198 min: -0.4249 max: 2.5842 USE_META, weight: 0.9320 cost: -0.1976 min: -0.4249 max: 2.5842 USE_META, weight: 0.4963 cost: 1.2593 min: -0.4249 max: 2.5842 USE_META, weight: 0.4967 cost: 1.2579 min: -0.4249 max: 2.5842 USE_META, weight: 0.4966 cost: 1.2582 min: -0.4249 max: 2.5842 USE_META, weight: 0.4968 cost: 1.2575 min: -0.4249 max: 2.5842 USE_META, weight: 0.4968 cost: 1.2576 min: -0.4249 max: 2.5842 USE_META, weight: 0.4969 cost: 1.2571 min: -0.4249 max: 2.5842 USE_META, weight: 0.4968 cost: 1.2574 min: -0.4249 max: 2.5842 USE_META, weight: 0.4967 cost: 1.2578 min: -0.4249 max: 2.5842 USE_META, weight: 0.4967 cost: 1.2580 min: -0.4249 max: 2.5842 USE_META, weight: 0.4964 cost: 1.2589 min: -0.4249 max: 2.5842 USE_META, weight: 0.9666 cost: -0.3133 min: -0.4249 max: 2.5842 USE_META, weight: 0.9865 cost: -0.3797 min: -0.4249 max: 2.5842 USE_META, weight: 0.9522 cost: -0.2652 min: -0.4249 max: 2.5842 USE_META, weight: 0.6860 cost: 0.6248 min: -0.4249 max: 2.5842 USE_META, weight: 0.9160 cost: -0.1439 min: -0.4249 max: 2.5842 USE_META, weight: 0.9411 cost: -0.2279 min: -0.4249 max: 2.5842 USE_META, weight: 0.9510 cost: -0.2609 min: -0.4249 max: 2.5842 USE_META, weight: 0.9462 cost: -0.2450 min: -0.4249 max: 2.5842 USE_META, weight: 0.9268 cost: -0.1801 min: -0.4249 max: 2.5842 USE_META, weight: 0.8917 cost: -0.0626 min: -0.4249 max: 2.5842 USE_META, weight: 0.9578 cost: -0.2836 min: -0.4249 max: 2.5842 USE_META, weight: 0.9579 cost: -0.2842 min: -0.4249 max: 2.5842 USE_META, weight: 0.9533 cost: -0.2686 min: -0.4249 max: 2.5842 USE_META, weight: 0.9578 cost: -0.2838 min: -0.4249 max: 2.5842 USE_META, weight: 0.8864 cost: -0.0450 min: -0.4249 max: 2.5842 USE_META, weight: 0.9411 cost: -0.2279 min: -0.4249 max: 2.5842 USE_META, weight: 0.9507 cost: -0.2601 min: -0.4249 max: 2.5842 USE_META, weight: 0.9433 cost: -0.2353 min: -0.4249 max: 2.5842 USE_META, weight: 0.9213 cost: -0.1618 min: -0.4249 max: 2.5842 USE_META, weight: 0.8823 cost: -0.0315 min: -0.4249 max: 2.5842 USE_META, weight: 0.4968 cost: 1.2575 min: -0.4249 max: 2.5842 USE_META, weight: 0.4962 cost: 1.2594 min: -0.4249 max: 2.5842 USE_META, weight: 0.4967 cost: 1.2577 min: -0.4249 max: 2.5842 USE_META, weight: 0.4966 cost: 1.2584 min: -0.4249 max: 2.5842 USE_META, weight: 0.4966 cost: 1.2581 min: -0.4249 max: 2.5842 USE_META, weight: 0.9973 cost: -0.4159 min: -0.4249 max: 2.5842 USE_META, weight: 0.4968 cost: 1.2575 min: -0.4249 max: 2.5842 USE_META, weight: 0.4962 cost: 1.2594 min: -0.4249 max: 2.5842 USE_META, weight: 0.4967 cost: 1.2577 min: -0.4249 max: 2.5842 USE_META, weight: 0.4966 cost: 1.2584 min: -0.4249 max: 2.5842 USE_META, weight: 0.4966 cost: 1.2581 min: -0.4249 max: 2.5842 USE_META, weight: 0.9535 cost: -0.2693 min: -0.4249 max: 2.5842 USE_META, weight: 0.9654 cost: -0.3091 min: -0.4249 max: 2.5842 USE_META, weight: 0.9618 cost: -0.2972 min: -0.4249 max: 2.5842 USE_META, weight: 0.9562 cost: -0.2786 min: -0.4249 max: 2.5842 USE_META, weight: 0.9596 cost: -0.2899 min: -0.4249 max: 2.5842 USE_META, weight: 0.9869 cost: -0.3811 min: -0.4249 max: 2.5842 USE_META, weight: 0.9812 cost: -0.3620 min: -0.4249 max: 2.5842 USE_META, weight: 0.4968 cost: 1.2574 min: -0.4249 max: 2.5842 USE_META, weight: 0.4968 cost: 1.2576 min: -0.4249 max: 2.5842 USE_META, weight: 0.4966 cost: 1.2581 min: -0.4249 max: 2.5842 USE_META, weight: 0.4966 cost: 1.2583 min: -0.4249 max: 2.5842 USE_META, weight: 0.4963 cost: 1.2590 min: -0.4249 max: 2.5842 USE_META, weight: 0.4955 cost: 1.2620 min: -0.4249 max: 2.5842 USE_META, weight: 0.4958 cost: 1.2607 min: -0.4249 max: 2.5842 USE_META, weight: 0.4960 cost: 1.2601 min: -0.4249 max: 2.5842 USE_META, weight: 0.4958 cost: 1.2607 min: -0.4249 max: 2.5842 USE_META, weight: 0.4961 cost: 1.2597 min: -0.4249 max: 2.5842 USE_META, weight: 0.9635 cost: -0.3029 min: -0.4249 max: 2.5842 USE_META, weight: 0.9548 cost: -0.2736 min: -0.4249 max: 2.5842 USE_META, weight: 0.9592 cost: -0.2885 min: -0.4249 max: 2.5842 USE_META, weight: 0.9627 cost: -0.3001 min: -0.4249 max: 2.5842 USE_META, weight: 0.9151 cost: -0.1410 min: -0.4249 max: 2.5842 USE_META, weight: 0.1848 cost: 2.3006 min: -0.4249 max: 2.5842 USE_META, weight: 0.1955 cost: 2.2650 min: -0.4249 max: 2.5842 USE_META, weight: 0.1123 cost: 2.5429 min: -0.4249 max: 2.5842 USE_META, weight: 0.1873 cost: 2.2923 min: -0.4249 max: 2.5842 USE_META, weight: 0.9746 cost: -0.3400 min: -0.4249 max: 2.5842 USE_META, weight: 0.9793 cost: -0.3555 min: -0.4249 max: 2.5842 USE_META, weight: 0.9256 cost: -0.1761 min: -0.4249 max: 2.5842 USE_META, weight: 0.8442 cost: 0.0959 min: -0.4249 max: 2.5842 USE_META, weight: 0.8031 cost: 0.2334 min: -0.4249 max: 2.5842 USE_META, weight: 0.9587 cost: -0.2866 min: -0.4249 max: 2.5842 USE_META, weight: 0.9615 cost: -0.2960 min: -0.4249 max: 2.5842 USE_META, weight: 0.9615 cost: -0.2960 min: -0.4249 max: 2.5842 USE_META, weight: 0.9422 cost: -0.2317 min: -0.4249 max: 2.5842 USE_META, weight: 0.9532 cost: -0.2685 min: -0.4249 max: 2.5842 USE_META, weight: 0.7108 cost: 0.5422 min: -0.4249 max: 2.5842 USE_META, weight: 0.7667 cost: 0.3550 min: -0.4249 max: 2.5842 USE_META, weight: 0.7659 cost: 0.3580 min: -0.4249 max: 2.5842 USE_META, weight: 0.7462 cost: 0.4236 min: -0.4249 max: 2.5842 USE_META, weight: 0.7959 cost: 0.2575 min: -0.4249 max: 2.5842 USE_META, weight: 0.7108 cost: 0.5421 min: -0.4249 max: 2.5842 USE_META, weight: 0.9987 cost: -0.4206 min: -0.4249 max: 2.5842 USE_META, weight: 0.9794 cost: -0.3561 min: -0.4249 max: 2.5842 USE_META, weight: 0.9442 cost: -0.2382 min: -0.4249 max: 2.5842 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 0.8982 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 0.8982 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 0.8982 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 0.9981 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 0.9981 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 0.9981 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 0.9673 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 0.9673 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 0.9673 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 0.9996 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 0.9996 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 0.9996 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 0.9993 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 0.9993 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 0.9993 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 0.9929 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 0.9929 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 0.9929 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 Number of contacts in models: 263 Number of contacts in alignments: 153 NUMB_ALIGNS: 153 Adding 17997 constraints to all3.constraints Done adding distance constraints # command:Reading probabilities from probabilities.dat Reading constraints from ConstraintSet all3.constraints maxweight: 1.0000 Optimizing... Probability sum: -706.2192, CN propb: -706.2192 weights: 0.3055 constraints: 1687 # command:Found ConstraintSet # PrintContacts align.constraints_meta03 Number of constraints in align3.constraints 1687 # command:Found ConstraintSet # PrintContacts align_bonus.constraints_meta03 Number of constraints in align3.constraints.bonus 1687 # command:Found ConstraintSet # PrintContacts rejected.constraints_meta03 Number of constraints in rejected3.constraints 16310 # command:Found ConstraintSet # PrintContacts rejected_bonus.constraints_meta03 Number of constraints in rejected3.constraints.bonus 16310 # command:Found ConstraintSet # PrintContacts non_contacts.constraints_meta03 Number of constraints in noncontact3.constraints 0 # command:Found ConstraintSet # PrintContacts non_contacts_bonus.constraints_meta03 Number of constraints in noncontact3.constraints.bonus 0 # command:Found ConstraintSet # PrintContacts all.constraints_meta03 Number of constraints in all3.constraints 17997 # command: