# 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/T0367/ # command:# Making conformation for sequence T0367 numbered 1 through 125 Created new target T0367 from T0367.a2m # command:# Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0367/ # command:Warning: Couldn't open file /projects/compbio/experiments/protein-predict/casp7/T0367//projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0367/manyalignments-good-all.under or /projects/compbio/experiments/protein-predict/casp7/T0367//projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0367/manyalignments-good-all.under.gz for input Trying /projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0367/manyalignments-good-all.under # reading script from file /projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0367/manyalignments-good-all.under # Reading fragments from alignment file # Attempting to read fragment alignments from file 1oshA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0367 read from 1oshA/merged-good-all-a2m # 1oshA read from 1oshA/merged-good-all-a2m # found chain 1oshA in training set Warning: unaligning (T0367)D2 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1oshA)E286 T0367 3 :ELELRIRKAEKLVQDAKKEFE 1oshA 287 :NFLILTEMATNHVQVLVEFTK # choosing archetypes in rotamer library T0367 24 :MGLYERCCSTAYYAMFHAAKAMLLGYGRDSKTHR 1oshA 317 :HEDQIALLKGSAVEAMFLRSAEIFNKKLPSGHSD T0367 62 :LIWECREELGLSDDDCSKLSRAFDL 1oshA 351 :LLEERIRNSGISDEYITPMFSFYKS T0367 90 :SDYGIYK 1oshA 397 :PDRQYIK T0367 99 :SKDLAIKILKDAEIFVQKAKNAVNK 1oshA 404 :DREAVEKLQEPLLDVLQKLCKIHQP Number of specific fragments extracted= 5 number of extra gaps= 0 total=5 Number of alignments=1 # 1oshA read from 1oshA/merged-good-all-a2m # found chain 1oshA in training set Warning: unaligning (T0367)D2 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1oshA)E286 T0367 3 :ELELRIRKAEKLVQDAKKEFE 1oshA 287 :NFLILTEMATNHVQVLVEFTK T0367 24 :MGLYERCCSTAYYAMFHAAKAMLLGYGRDSKTHR 1oshA 317 :HEDQIALLKGSAVEAMFLRSAEIFNKKLPSGHSD T0367 62 :LIWECREELGLSDDDCSKLSRAFDLREESDYG 1oshA 351 :LLEERIRNSGISDEYITPMFSFYKSIGELKMT T0367 94 :IYKE 1oshA 395 :LSPD T0367 99 :SKDLAIKILKDAEIFVQKAKNAVNK 1oshA 404 :DREAVEKLQEPLLDVLQKLCKIHQP Number of specific fragments extracted= 5 number of extra gaps= 0 total=10 Number of alignments=2 # 1oshA read from 1oshA/merged-good-all-a2m # found chain 1oshA in training set Warning: unaligning (T0367)D2 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1oshA)E286 T0367 3 :ELELRIRKAEKLVQDAKKEFE 1oshA 287 :NFLILTEMATNHVQVLVEFTK T0367 24 :MGLYERCCSTAYYAMFHAAKAMLLGYGRDS 1oshA 317 :HEDQIALLKGSAVEAMFLRSAEIFNKKLPS T0367 58 :GTIYLIWECREELGLSDDDCSKLS 1oshA 347 :GHSDLLEERIRNSGISDEYITPMF T0367 82 :RAFDLREES 1oshA 372 :FYKSIGELK T0367 91 :DYGIYKEVSKDLAIKILKDAEIFVQKAKNAV 1oshA 396 :SPDRQYIKDREAVEKLQEPLLDVLQKLCKIH Number of specific fragments extracted= 5 number of extra gaps= 0 total=15 Number of alignments=3 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1wtyA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1wtyA expands to /projects/compbio/data/pdb/1wty.pdb.gz 1wtyA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # T0367 read from 1wtyA/merged-good-all-a2m # 1wtyA read from 1wtyA/merged-good-all-a2m # adding 1wtyA to template set # found chain 1wtyA in template set Warning: unaligning (T0367)K123 because last residue in template chain is (1wtyA)E117 T0367 12 :EKLVQDAKKEFEMG 1wtyA 5 :ARAVERLKAALERP T0367 26 :LYERCCSTAYYAMFH 1wtyA 23 :IRDSAIQRFEFTFEL T0367 41 :AAKAMLLGYGRDSKTHRGTIYLIWE 1wtyA 41 :TLKTFLELQGLEARSPRAAIRGAFQ T0367 70 :LGLSD 1wtyA 66 :VGLLP T0367 75 :DDCSKLSRAFDLREESD 1wtyA 73 :PFWLEMLELRNLTNHTY T0367 99 :SKDLAIKI 1wtyA 90 :DEALAERI T0367 107 :LKDAEIFVQKAKNAVN 1wtyA 101 :LPKALERFQELLRRLE Number of specific fragments extracted= 7 number of extra gaps= 0 total=22 Number of alignments=4 # 1wtyA read from 1wtyA/merged-good-all-a2m # found chain 1wtyA in template set Warning: unaligning (T0367)K123 because last residue in template chain is (1wtyA)E117 T0367 12 :EKLVQDAKKEFEMG 1wtyA 5 :ARAVERLKAALERP T0367 26 :LYERCCSTAYYAMFHA 1wtyA 23 :IRDSAIQRFEFTFELA T0367 42 :AKAMLLGYGRDSKTHRGTIYLIWE 1wtyA 42 :LKTFLELQGLEARSPRAAIRGAFQ T0367 70 :LGLSD 1wtyA 66 :VGLLP T0367 75 :DDCSKLSRAFDLREESD 1wtyA 73 :PFWLEMLELRNLTNHTY T0367 99 :SKDLAIKI 1wtyA 90 :DEALAERI T0367 107 :LKDAEIFVQKAKNAVN 1wtyA 101 :LPKALERFQELLRRLE Number of specific fragments extracted= 7 number of extra gaps= 0 total=29 Number of alignments=5 # 1wtyA read from 1wtyA/merged-good-all-a2m # found chain 1wtyA in template set Warning: unaligning (T0367)K123 because last residue in template chain is (1wtyA)E117 T0367 12 :EKLVQDAKKEFEMG 1wtyA 5 :ARAVERLKAALERP T0367 26 :LYERCCSTAYYAMFHAAKAM 1wtyA 23 :IRDSAIQRFEFTFELAWKTL T0367 46 :LLGYGRDSKTHRGTIYLI 1wtyA 46 :LELQGLEARSPRAAIRGA T0367 68 :EELGLSD 1wtyA 64 :FQVGLLP T0367 75 :DDCSKLSRAFDLREESD 1wtyA 73 :PFWLEMLELRNLTNHTY T0367 99 :SKDLAIKI 1wtyA 90 :DEALAERI T0367 107 :LKDAEIFVQKAKNAVN 1wtyA 101 :LPKALERFQELLRRLE Number of specific fragments extracted= 7 number of extra gaps= 0 total=36 Number of alignments=6 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2cfuA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2cfuA expands to /projects/compbio/data/pdb/2cfu.pdb.gz 2cfuA:Skipped atom 87, because occupancy 0.5 <= existing 0.500 in 2cfuA Skipped atom 89, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 91, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 93, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 95, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 97, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 99, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 101, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 103, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 120, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 124, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 126, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 128, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 130, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 132, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 134, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 136, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 139, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 143, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 145, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 147, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 149, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 151, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 153, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 155, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 261, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 263, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 265, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 267, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 269, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 271, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 273, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 275, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 277, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 408, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 412, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 414, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 416, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 418, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 420, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 422, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 424, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 569, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 571, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 573, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 575, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 577, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 579, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 581, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 583, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 585, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 691, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 695, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 697, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 699, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 701, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 930, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 932, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 934, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 936, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 938, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 940, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 942, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 944, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 946, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 948, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 950, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1072, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1076, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1078, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1080, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1082, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1084, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1086, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1088, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1183, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1185, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1187, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1189, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1191, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1193, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1195, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1197, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1199, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1201, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1203, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1461, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1465, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1467, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1469, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1471, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1585, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1587, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1589, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1591, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1593, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1595, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1597, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1599, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1704, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1708, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1710, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1712, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1714, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1716, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1817, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1819, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1821, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1823, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1825, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1827, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1829, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1831, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1833, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1835, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1837, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1899, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1901, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1903, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1905, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1907, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1909, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1911, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1913, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1915, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1917, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1919, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1950, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1952, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1954, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1956, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1958, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1960, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1962, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1964, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1966, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1972, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1974, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1976, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1978, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1980, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1982, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1984, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1986, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 1988, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 2227, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 2229, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 2231, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 2233, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 2235, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 2237, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 2239, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 2241, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 2243, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 2368, because occupancy 0.300 <= existing 0.700 in 2cfuA Skipped atom 2372, because occupancy 0.300 <= existing 0.700 in 2cfuA Skipped atom 2374, because occupancy 0.300 <= existing 0.700 in 2cfuA Skipped atom 2376, because occupancy 0.300 <= existing 0.700 in 2cfuA Skipped atom 2406, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 2408, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 2410, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 2412, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 2414, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 2416, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 2418, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 2420, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 2422, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 2525, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 2529, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 2531, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 2533, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 2535, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 2537, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 2562, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 2564, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 2566, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 2568, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 2570, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 2572, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 2574, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 2576, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 2578, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 2580, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 2582, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 2624, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 2626, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 2628, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 2630, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 2632, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 2634, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 2636, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 2638, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 2640, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 2719, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 2721, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 2723, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 2725, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 2727, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 2729, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 2731, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 2733, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 2735, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 2737, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 2739, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 3508, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 3510, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 3512, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 3514, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 3516, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 3518, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 3520, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 3522, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 3524, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 3619, because occupancy 0.300 <= existing 0.700 in 2cfuA Skipped atom 3623, because occupancy 0.300 <= existing 0.700 in 2cfuA Skipped atom 3625, because occupancy 0.300 <= existing 0.700 in 2cfuA Skipped atom 3627, because occupancy 0.300 <= existing 0.700 in 2cfuA Skipped atom 3629, because occupancy 0.300 <= existing 0.700 in 2cfuA Skipped atom 3631, because occupancy 0.300 <= existing 0.700 in 2cfuA Skipped atom 3633, because occupancy 0.300 <= existing 0.700 in 2cfuA Skipped atom 3635, because occupancy 0.300 <= existing 0.700 in 2cfuA Skipped atom 3829, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 3831, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 3833, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 3835, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 3837, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 3839, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 3841, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 3843, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 3854, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 3858, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 3860, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 3862, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 3864, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 3866, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 3868, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 3870, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 3893, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 3895, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 3897, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 3899, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 3901, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 3903, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 3905, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 3907, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 3909, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 4180, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 4184, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 4186, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 4188, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 4190, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 4192, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 4194, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 4196, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 4305, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 4309, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 4311, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 4313, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 4315, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 4317, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 4319, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 4321, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 4382, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 4386, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 4388, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 4390, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 4392, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 4843, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 4845, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 4847, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 4849, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 4851, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 4853, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 4855, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 4857, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 4859, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 4886, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 4888, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 4890, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 4892, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 4894, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 4896, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 4898, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 4900, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 4902, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 4904, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 4906, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 5085, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 5089, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 5091, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 5093, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 5095, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 5108, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 5110, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 5112, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 5114, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 5116, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 5118, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 5120, because occupancy 0.500 <= existing 0.500 in 2cfuA Skipped atom 5122, because occupancy 0.500 <= existing 0.500 in 2cfuA # T0367 read from 2cfuA/merged-good-all-a2m # 2cfuA read from 2cfuA/merged-good-all-a2m # adding 2cfuA to template set # found chain 2cfuA in template set T0367 3 :ELELRIRK 2cfuA 438 :SAGRYVEY T0367 11 :AEKLVQDAKKEFEMGLYERCCSTAYYAMFH 2cfuA 449 :AERLLEQARASYARGEYRWVVEVVNRLVFA T0367 41 :AAKAMLLG 2cfuA 489 :QADALEQL T0367 57 :RGTIYLIWECRE 2cfuA 504 :GWRNSYLSAAYE T0367 69 :ELGLSDD 2cfuA 517 :RHGVPRD Number of specific fragments extracted= 5 number of extra gaps= 0 total=41 Number of alignments=7 # 2cfuA read from 2cfuA/merged-good-all-a2m # found chain 2cfuA in template set Warning: unaligning (T0367)I94 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (2cfuA)G530 T0367 3 :ELELRIRK 2cfuA 438 :SAGRYVEY T0367 11 :AEKLVQDAKKEFEMGLYERCCSTAYYAMFH 2cfuA 449 :AERLLEQARASYARGEYRWVVEVVNRLVFA T0367 53 :SKTHRGTIYLIWECREEL 2cfuA 479 :EPDNRAARELQADALEQL T0367 79 :KLSRAFDLREESDYG 2cfuA 509 :YLSAAYELRHGVPRD Number of specific fragments extracted= 4 number of extra gaps= 0 total=45 Number of alignments=8 # 2cfuA read from 2cfuA/merged-good-all-a2m # found chain 2cfuA in template set T0367 98 :VSKDLAIKILKDAEIFV 2cfuA 349 :WGNAEIVEVLEKQRDLY T0367 115 :QKAKNAVNKNR 2cfuA 370 :DQTLHLANQGV Number of specific fragments extracted= 2 number of extra gaps= 0 total=47 Number of alignments=9 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1khoA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1khoA expands to /projects/compbio/data/pdb/1kho.pdb.gz 1khoA:# T0367 read from 1khoA/merged-good-all-a2m # 1khoA read from 1khoA/merged-good-all-a2m # adding 1khoA to template set # found chain 1khoA in template set T0367 21 :EFEMGLYERCCSTAYYAMFHAAKA 1khoA 108 :EWKRGNYKQATFYLGEAMHYFGDA T0367 45 :MLLGYGRDS 1khoA 134 :PYHAANVTA T0367 54 :KTHRGTIYLI 1khoA 146 :PGHVKFETFA T0367 78 :SKLSRAFDLREESD 1khoA 195 :SFAKTAKDLYYSHA T0367 95 :YKEVSKDLAIKILKDA 1khoA 209 :NMSCSWDEWDYAAKVA Number of specific fragments extracted= 5 number of extra gaps= 0 total=52 Number of alignments=10 # 1khoA read from 1khoA/merged-good-all-a2m # found chain 1khoA in template set T0367 21 :EFEMGLYERCCSTAYYAMFHAAKA 1khoA 108 :EWKRGNYKQATFYLGEAMHYFGDA T0367 45 :MLLGYGRDS 1khoA 134 :PYHAANVTA T0367 54 :KTHRGTIYLIWEC 1khoA 146 :PGHVKFETFAEDR T0367 73 :SDDDCS 1khoA 172 :NDAFYS T0367 79 :KLSRAFDLREES 1khoA 196 :FAKTAKDLYYSH T0367 94 :IYKEVSKDLAIKILKDA 1khoA 208 :ANMSCSWDEWDYAAKVA Number of specific fragments extracted= 6 number of extra gaps= 0 total=58 Number of alignments=11 # 1khoA read from 1khoA/merged-good-all-a2m # found chain 1khoA in template set T0367 21 :EFEMGLYERCCSTAYYAMFHAAKA 1khoA 108 :EWKRGNYKQATFYLGEAMHYFGDA T0367 45 :MLLGYGRDSKTHRGTIYLIWECREELGLSDDDCSKLS 1khoA 134 :PYHAANVTAVDSPGHVKFETFAEDRKDQYKINTTGSK T0367 82 :RAFDLREESDYG 1khoA 175 :FYSNILTNEDFN T0367 101 :DLAIKI 1khoA 187 :SWSKEF T0367 110 :AEIFVQKAKNAVN 1khoA 193 :ARSFAKTAKDLYY Number of specific fragments extracted= 5 number of extra gaps= 0 total=63 Number of alignments=12 # Reading fragments from alignment file # Attempting to read fragment alignments from file 16vpA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 16vpA expands to /projects/compbio/data/pdb/16vp.pdb.gz 16vpA:# T0367 read from 16vpA/merged-good-all-a2m # 16vpA read from 16vpA/merged-good-all-a2m # adding 16vpA to template set # found chain 16vpA in template set T0367 4 :LELRIRKAEKLVQ 16vpA 180 :YRYLRASVRQLHR T0367 20 :KEFEMG 16vpA 193 :QAHMRG T0367 26 :LYERCCSTAYYAMFHAAKAMLLGY 16vpA 207 :LRATIADRYYRETARLARVLFLHL T0367 57 :RGTIYLIWECREELGLSDDDCSKL 16vpA 233 :FLTREILWAAYAEQMMRPDLFDCL T0367 81 :SRAFDLREESDY 16vpA 264 :RQLAGLFQPFMF T0367 94 :IYKEVSKDLAIKIL 16vpA 283 :RGVPIEARRLRELN Number of specific fragments extracted= 6 number of extra gaps= 0 total=69 Number of alignments=13 # 16vpA read from 16vpA/merged-good-all-a2m # found chain 16vpA in template set T0367 4 :LELRIRKAEKLVQDAKK 16vpA 180 :YRYLRASVRQLHRQAHM T0367 24 :MG 16vpA 197 :RG T0367 26 :LYERCCSTAYYAMFHAAKAMLLGY 16vpA 207 :LRATIADRYYRETARLARVLFLHL T0367 58 :GTIYLIWECREELGLSDDDCS 16vpA 234 :LTREILWAAYAEQMMRPDLFD T0367 81 :SRAFDLREESDY 16vpA 264 :RQLAGLFQPFMF T0367 94 :IYKEVSKDLAIKIL 16vpA 283 :RGVPIEARRLRELN Number of specific fragments extracted= 6 number of extra gaps= 0 total=75 Number of alignments=14 # 16vpA read from 16vpA/merged-good-all-a2m # found chain 16vpA in template set T0367 4 :LELRIRKAEKLVQDAKKE 16vpA 180 :YRYLRASVRQLHRQAHMR T0367 24 :MGLY 16vpA 203 :LGEM T0367 28 :ERCCSTAYYAMFHAAKAMLLG 16vpA 209 :ATIADRYYRETARLARVLFLH Number of specific fragments extracted= 3 number of extra gaps= 0 total=78 Number of alignments=15 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2ftzA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2ftzA expands to /projects/compbio/data/pdb/2ftz.pdb.gz 2ftzA:Bad short name: CH1 for alphabet: pdb_atoms Skipped atom 122, because occupancy 0.500 <= existing 0.500 in 2ftzA Skipped atom 124, because occupancy 0.500 <= existing 0.500 in 2ftzA Skipped atom 126, because occupancy 0.500 <= existing 0.500 in 2ftzA Skipped atom 128, because occupancy 0.500 <= existing 0.500 in 2ftzA Skipped atom 130, because occupancy 0.500 <= existing 0.500 in 2ftzA Skipped atom 132, because occupancy 0.500 <= existing 0.500 in 2ftzA Skipped atom 138, because occupancy 0.500 <= existing 0.500 in 2ftzA Skipped atom 140, because occupancy 0.500 <= existing 0.500 in 2ftzA Skipped atom 142, because occupancy 0.500 <= existing 0.500 in 2ftzA Skipped atom 144, because occupancy 0.500 <= existing 0.500 in 2ftzA Skipped atom 146, because occupancy 0.500 <= existing 0.500 in 2ftzA Skipped atom 457, because occupancy 0.500 <= existing 0.500 in 2ftzA Skipped atom 459, because occupancy 0.500 <= existing 0.500 in 2ftzA Skipped atom 461, because occupancy 0.500 <= existing 0.500 in 2ftzA Skipped atom 463, because occupancy 0.500 <= existing 0.500 in 2ftzA Skipped atom 465, because occupancy 0.500 <= existing 0.500 in 2ftzA Skipped atom 534, because occupancy 0.500 <= existing 0.500 in 2ftzA Skipped atom 536, because occupancy 0.500 <= existing 0.500 in 2ftzA Skipped atom 538, because occupancy 0.500 <= existing 0.500 in 2ftzA Skipped atom 626, because occupancy 0.500 <= existing 0.500 in 2ftzA Skipped atom 628, because occupancy 0.500 <= existing 0.500 in 2ftzA Skipped atom 630, because occupancy 0.500 <= existing 0.500 in 2ftzA Skipped atom 632, because occupancy 0.500 <= existing 0.500 in 2ftzA Bad short name: CH1 for alphabet: pdb_atoms Skipped atom 931, because occupancy 0.500 <= existing 0.500 in 2ftzA Skipped atom 933, because occupancy 0.500 <= existing 0.500 in 2ftzA Skipped atom 939, because occupancy 0.500 <= existing 0.500 in 2ftzA Skipped atom 941, because occupancy 0.500 <= existing 0.500 in 2ftzA Skipped atom 943, because occupancy 0.500 <= existing 0.500 in 2ftzA Skipped atom 945, because occupancy 0.500 <= existing 0.500 in 2ftzA Skipped atom 947, because occupancy 0.500 <= existing 0.500 in 2ftzA Bad short name: CH1 for alphabet: pdb_atoms Skipped atom 1107, because occupancy 0.500 <= existing 0.500 in 2ftzA Skipped atom 1109, because occupancy 0.500 <= existing 0.500 in 2ftzA Skipped atom 1111, because occupancy 0.500 <= existing 0.500 in 2ftzA Skipped atom 1113, because occupancy 0.500 <= existing 0.500 in 2ftzA Bad short name: CH1 for alphabet: pdb_atoms Bad short name: CH1 for alphabet: pdb_atoms Bad short name: CH1 for alphabet: pdb_atoms Bad short name: CH1 for alphabet: pdb_atoms Bad short name: CH1 for alphabet: pdb_atoms Bad short name: CH1 for alphabet: pdb_atoms Skipped atom 1840, because occupancy 0.500 <= existing 0.500 in 2ftzA Skipped atom 1842, because occupancy 0.500 <= existing 0.500 in 2ftzA Skipped atom 1844, because occupancy 0.500 <= existing 0.500 in 2ftzA Skipped atom 1846, because occupancy 0.500 <= existing 0.500 in 2ftzA Skipped atom 1848, because occupancy 0.500 <= existing 0.500 in 2ftzA Skipped atom 1850, because occupancy 0.500 <= existing 0.500 in 2ftzA Skipped atom 1852, because occupancy 0.500 <= existing 0.500 in 2ftzA Skipped atom 1858, because occupancy 0.500 <= existing 0.500 in 2ftzA Skipped atom 1860, because occupancy 0.500 <= existing 0.500 in 2ftzA Skipped atom 1862, because occupancy 0.500 <= existing 0.500 in 2ftzA Skipped atom 1864, because occupancy 0.500 <= existing 0.500 in 2ftzA Skipped atom 1866, because occupancy 0.500 <= existing 0.500 in 2ftzA Skipped atom 1932, because occupancy 0.500 <= existing 0.500 in 2ftzA Skipped atom 1934, because occupancy 0.500 <= existing 0.500 in 2ftzA Skipped atom 1936, because occupancy 0.500 <= existing 0.500 in 2ftzA Skipped atom 1938, because occupancy 0.500 <= existing 0.500 in 2ftzA Skipped atom 1940, because occupancy 0.500 <= existing 0.500 in 2ftzA Skipped atom 2031, because occupancy 0.500 <= existing 0.500 in 2ftzA Skipped atom 2033, because occupancy 0.500 <= existing 0.500 in 2ftzA Skipped atom 2035, because occupancy 0.500 <= existing 0.500 in 2ftzA Skipped atom 2037, because occupancy 0.500 <= existing 0.500 in 2ftzA Skipped atom 2039, because occupancy 0.500 <= existing 0.500 in 2ftzA Bad short name: CH1 for alphabet: pdb_atoms Bad short name: CH1 for alphabet: pdb_atoms # T0367 read from 2ftzA/merged-good-all-a2m # 2ftzA read from 2ftzA/merged-good-all-a2m # adding 2ftzA to template set # found chain 2ftzA in template set Warning: unaligning (T0367)D2 because first residue in template chain is (2ftzA)H-3 Warning: unaligning (T0367)R7 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (2ftzA)E4 Warning: unaligning (T0367)R9 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (2ftzA)E4 Warning: unaligning (T0367)A11 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (2ftzA)V6 Warning: unaligning (T0367)K54 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (2ftzA)L56 Warning: unaligning (T0367)H56 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (2ftzA)L56 Warning: unaligning (T0367)Y95 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (2ftzA)P89 Warning: unaligning (T0367)E97 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (2ftzA)P89 Warning: unaligning (T0367)N122 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (2ftzA)I118 T0367 3 :ELEL 2ftzA -2 :HHHM T0367 12 :EKLVQ 2ftzA 7 :EERIR T0367 20 :KEFEMG 2ftzA 12 :EILRPG T0367 26 :LYERCCSTAYY 2ftzA 21 :LTEEAMLYSAT T0367 38 :MFHAAKAMLLGYGRDS 2ftzA 38 :RPLLVLTLGEDLGVEE T0367 57 :RGTIYLIWECRE 2ftzA 57 :LDVAVAVELFHT T0367 77 :CSKLSRAFDLREESDYGI 2ftzA 69 :ASLIHDDLPPIDNADFRR T0367 98 :VSKDLAIKILKD 2ftzA 95 :YGEDIALLAGDG T0367 113 :FVQKAKNAV 2ftzA 107 :LFFLAFSQI T0367 125 :R 2ftzA 119 :G Number of specific fragments extracted= 10 number of extra gaps= 0 total=88 Number of alignments=16 # 2ftzA read from 2ftzA/merged-good-all-a2m # found chain 2ftzA in template set Warning: unaligning (T0367)D2 because first residue in template chain is (2ftzA)H-3 Warning: unaligning (T0367)R7 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (2ftzA)E4 Warning: unaligning (T0367)R9 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (2ftzA)E4 Warning: unaligning (T0367)A11 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (2ftzA)V6 Warning: unaligning (T0367)K54 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (2ftzA)L56 Warning: unaligning (T0367)H56 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (2ftzA)L56 Warning: unaligning (T0367)Y95 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (2ftzA)P89 Warning: unaligning (T0367)E97 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (2ftzA)P89 Warning: unaligning (T0367)N122 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (2ftzA)I118 T0367 3 :ELEL 2ftzA -2 :HHHM T0367 12 :EKLVQ 2ftzA 7 :EERIR T0367 20 :KEFEMG 2ftzA 12 :EILRPG T0367 26 :LYERCCSTAYY 2ftzA 21 :LTEEAMLYSAT T0367 37 :AMFHAAKAMLLGYGRDS 2ftzA 37 :IRPLLVLTLGEDLGVEE T0367 57 :RGTIYLIWECRE 2ftzA 57 :LDVAVAVELFHT T0367 77 :CSKLSRAFDLREESDYGI 2ftzA 69 :ASLIHDDLPPIDNADFRR T0367 98 :VSKDLAIKILKD 2ftzA 95 :YGEDIALLAGDG T0367 113 :FVQKAKNAV 2ftzA 107 :LFFLAFSQI T0367 125 :R 2ftzA 119 :G Number of specific fragments extracted= 10 number of extra gaps= 0 total=98 Number of alignments=17 # 2ftzA read from 2ftzA/merged-good-all-a2m # found chain 2ftzA in template set Warning: unaligning (T0367)L4 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (2ftzA)I123 Warning: unaligning (T0367)K13 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (2ftzA)L134 Warning: unaligning (T0367)V15 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (2ftzA)L134 Warning: unaligning (T0367)T33 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (2ftzA)T164 Warning: unaligning (T0367)G48 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (2ftzA)G180 Warning: unaligning (T0367)G50 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (2ftzA)G180 Warning: unaligning (T0367)D52 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (2ftzA)D182 Warning: unaligning (T0367)K54 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (2ftzA)M186 Warning: unaligning (T0367)H56 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (2ftzA)M186 Warning: unaligning (T0367)G58 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (2ftzA)L188 Warning: unaligning (T0367)Y61 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (2ftzA)F193 Warning: unaligning (T0367)I63 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (2ftzA)F193 Warning: unaligning (T0367)D75 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (2ftzA)D205 Warning: unaligning (T0367)L80 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (2ftzA)E222 Warning: unaligning (T0367)S81 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (2ftzA)E222 Warning: unaligning (T0367)Y92 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (2ftzA)V224 Warning: unaligning (T0367)Y95 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (2ftzA)V230 Warning: unaligning (T0367)V98 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (2ftzA)V230 Warning: unaligning (T0367)D101 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (2ftzA)A235 Warning: unaligning (T0367)A103 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (2ftzA)A235 Warning: unaligning (T0367)K108 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (2ftzA)Y242 Warning: unaligning (T0367)F113 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (2ftzA)Y242 Warning: unaligning (T0367)K118 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (2ftzA)G249 Warning: unaligning (T0367)A120 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (2ftzA)G249 T0367 5 :ELRIRKAE 2ftzA 124 :FEEFSETA T0367 16 :QDAKKEF 2ftzA 135 :LLGEAMD T0367 23 :EMGLYERCCS 2ftzA 152 :SQEMVERMYA T0367 35 :YYAMFHAAKAMLL 2ftzA 165 :GALFAFCFSAPFI T0367 53 :S 2ftzA 183 :H T0367 59 :TI 2ftzA 189 :LG T0367 64 :W 2ftzA 194 :G T0367 76 :DCSK 2ftzA 206 :ILGS T0367 93 :GI 2ftzA 225 :TL T0367 99 :SK 2ftzA 231 :GI T0367 104 :IKIL 2ftzA 236 :REMA T0367 114 :VQKA 2ftzA 243 :YEEV T0367 121 :VNK 2ftzA 250 :IES Number of specific fragments extracted= 13 number of extra gaps= 1 total=111 Number of alignments=18 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1v3wA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0367 read from 1v3wA/merged-good-all-a2m # 1v3wA read from 1v3wA/merged-good-all-a2m # found chain 1v3wA in training set T0367 96 :KEVSKDLAIKILKDAEIFVQKAKNAVNKNR 1v3wA 142 :RQLTEEEIEWTKKNAEIYVELAEKHIKGRK Number of specific fragments extracted= 1 number of extra gaps= 0 total=112 Number of alignments=19 # 1v3wA read from 1v3wA/merged-good-all-a2m # found chain 1v3wA in training set T0367 95 :YKEVSKDLAIKILKDAEIFVQKAKNAVNKNR 1v3wA 141 :VRQLTEEEIEWTKKNAEIYVELAEKHIKGRK Number of specific fragments extracted= 1 number of extra gaps= 0 total=113 Number of alignments=20 # 1v3wA read from 1v3wA/merged-good-all-a2m # found chain 1v3wA in training set T0367 98 :VSKDLAIKILKDAEIFVQKAKNAVNKNR 1v3wA 144 :LTEEEIEWTKKNAEIYVELAEKHIKGRK Number of specific fragments extracted= 1 number of extra gaps= 0 total=114 Number of alignments=21 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1a17/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1a17 expands to /projects/compbio/data/pdb/1a17.pdb.gz 1a17:Warning: there is no chain 1a17 will retry with 1a17A # T0367 read from 1a17/merged-good-all-a2m # 1a17 read from 1a17/merged-good-all-a2m # adding 1a17 to template set # found chain 1a17 in template set T0367 7 :RIRKAEKLVQDAKKEFEMGLYERCCSTAYYAMFH 1a17 24 :ALKRAEELKTQANDYFKAKDYENAIKFYSQAIEL T0367 41 :AAKAMLLGYG 1a17 66 :GNRSLAYLRT T0367 54 :KTHRGTIYLIWECREE 1a17 76 :ECYGYALGDATRAIEL T0367 74 :DDDCSKLSRAF 1a17 92 :DKKYIKGYYRR T0367 85 :DL 1a17 104 :AS T0367 89 :ESDYG 1a17 106 :NMALG T0367 99 :SKDLAIKILKD 1a17 111 :KFRAALRDYET T0367 110 :AEIFVQKAKNAVNK 1a17 132 :AKMKYQECNKIVKQ Number of specific fragments extracted= 8 number of extra gaps= 0 total=122 Number of alignments=22 # 1a17 read from 1a17/merged-good-all-a2m # found chain 1a17 in template set T0367 7 :RIRKAEKLVQDAKKEFEMGLYERCCSTAYYAM 1a17 24 :ALKRAEELKTQANDYFKAKDYENAIKFYSQAI T0367 39 :FHAAKAMLLGYG 1a17 64 :YYGNRSLAYLRT T0367 54 :KTHRGTIYLIWECREELGLS 1a17 76 :ECYGYALGDATRAIELDKKY T0367 81 :SRAFDLREES 1a17 96 :IKGYYRRAAS T0367 91 :DYG 1a17 108 :ALG T0367 99 :SKDLAIKILKD 1a17 111 :KFRAALRDYET T0367 110 :AEIFVQKAKNAVNK 1a17 132 :AKMKYQECNKIVKQ Number of specific fragments extracted= 7 number of extra gaps= 0 total=129 Number of alignments=23 # 1a17 read from 1a17/merged-good-all-a2m # found chain 1a17 in template set T0367 8 :IRKAEKLVQDAKKEFEMGLYERCCSTAYYAMF 1a17 25 :LKRAEELKTQANDYFKAKDYENAIKFYSQAIE T0367 40 :HAAKAMLLGYG 1a17 65 :YGNRSLAYLRT T0367 54 :KTHRGTIYLIWECRE 1a17 76 :ECYGYALGDATRAIE T0367 73 :SDDDCSKLSRAFDLR 1a17 91 :LDKKYIKGYYRRAAS T0367 94 :IYKEVSKDLAIKILKDAEI 1a17 106 :NMALGKFRAALRDYETVVK T0367 113 :FVQKAKNAVNK 1a17 135 :KYQECNKIVKQ Number of specific fragments extracted= 6 number of extra gaps= 0 total=135 Number of alignments=24 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1wwpA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1wwpA expands to /projects/compbio/data/pdb/1wwp.pdb.gz 1wwpA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # T0367 read from 1wwpA/merged-good-all-a2m # 1wwpA read from 1wwpA/merged-good-all-a2m # adding 1wwpA to template set # found chain 1wwpA in template set T0367 11 :AEKLVQDAKKEF 1wwpA 2 :AEKALATLKELA T0367 23 :EMGLYERCCSTAYYAMFHAAKAMLLGY 1wwpA 19 :SPVERDAAIQRFEYTFEAFWKALQAYL T0367 50 :GRDSKTHRGTIYLIWEC 1wwpA 50 :GLEGASPKGVIRLAREV T0367 71 :G 1wwpA 67 :G T0367 72 :LSDDDCSKLSRAFDLREESDYGI 1wwpA 69 :LRDEEARLALGMVDDRSLTVHTY T0367 99 :SKDLAIKILKDAEIFVQKAKNAVNKN 1wwpA 92 :NEPLARAIFRRLPDYARLMEQVLGRL Number of specific fragments extracted= 6 number of extra gaps= 0 total=141 Number of alignments=25 # 1wwpA read from 1wwpA/merged-good-all-a2m # found chain 1wwpA in template set T0367 11 :AEKLVQDAKKEFEMG 1wwpA 2 :AEKALATLKELAFLE T0367 26 :LYERCCSTAY 1wwpA 22 :ERDAAIQRFE T0367 36 :YAMFHAAKAMLLGY 1wwpA 35 :EAFWKALQAYLREK T0367 50 :GRDSKTHRGTIYLIWE 1wwpA 50 :GLEGASPKGVIRLARE T0367 70 :LG 1wwpA 66 :VG T0367 72 :LSDDDCSKLSRAFDLREESDYGI 1wwpA 69 :LRDEEARLALGMVDDRSLTVHTY T0367 99 :SKDLAIKILKDAEIFVQKAKNAVNKNR 1wwpA 92 :NEPLARAIFRRLPDYARLMEQVLGRLR Number of specific fragments extracted= 7 number of extra gaps= 0 total=148 Number of alignments=26 # 1wwpA read from 1wwpA/merged-good-all-a2m # found chain 1wwpA in template set T0367 11 :AEKLVQDAKKEF 1wwpA 2 :AEKALATLKELA T0367 23 :EMGLYERCCSTAYYAMFHAAKAM 1wwpA 19 :SPVERDAAIQRFEYTFEAFWKAL T0367 46 :LL 1wwpA 45 :LR T0367 48 :GYGRDSKTHRGTIYLIWE 1wwpA 48 :KEGLEGASPKGVIRLARE T0367 70 :LGLSDDDCSKLS 1wwpA 66 :VGLLRDEEARLA T0367 82 :RAFDLREE 1wwpA 79 :GMVDDRSL T0367 94 :IYKEVSKDLAIKILKDAEIFVQKAKNAVNK 1wwpA 87 :TVHTYNEPLARAIFRRLPDYARLMEQVLGR Number of specific fragments extracted= 7 number of extra gaps= 0 total=155 Number of alignments=27 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1khyA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1khyA expands to /projects/compbio/data/pdb/1khy.pdb.gz 1khyA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # T0367 read from 1khyA/merged-good-all-a2m # 1khyA read from 1khyA/merged-good-all-a2m # adding 1khyA to template set # found chain 1khyA in template set Warning: unaligning (T0367)E89 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1khyA)Q82 Warning: unaligning (T0367)E97 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1khyA)Q82 T0367 2 :DELELRIRKAEKLVQ 1khyA 8 :NKFQLALADAQSLAL T0367 21 :EFEMGLY 1khyA 23 :GHDNQFI T0367 38 :MFHAAKAML 1khyA 31 :PLHLMSALL T0367 64 :WECREELGLSDDDC 1khyA 47 :SPLLTSAGINAGQL T0367 78 :SKLSRAF 1khyA 62 :TDINQAL T0367 85 :DLRE 1khyA 70 :RLPQ T0367 98 :VS 1khyA 83 :PS T0367 101 :DLAIKILKDAEIFVQK 1khyA 85 :QDLVRVLNLCDKLAQK Number of specific fragments extracted= 8 number of extra gaps= 0 total=163 Number of alignments=28 # 1khyA read from 1khyA/merged-good-all-a2m # found chain 1khyA in template set Warning: unaligning (T0367)S90 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1khyA)Q82 Warning: unaligning (T0367)E97 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1khyA)Q82 T0367 3 :ELELRIRKAEKL 1khyA 9 :KFQLALADAQSL T0367 19 :KKEFEMGLY 1khyA 21 :ALGHDNQFI T0367 38 :M 1khyA 31 :P T0367 40 :HAAKAMLLGYGRD 1khyA 32 :LHLMSALLNQEGG T0367 58 :GTIYLIWE 1khyA 45 :SVSPLLTS T0367 70 :LGLSD 1khyA 53 :AGINA T0367 75 :DDCSKLSRAFDLREE 1khyA 59 :QLRTDINQALNRLPQ T0367 98 :VS 1khyA 83 :PS T0367 101 :DLAIKILKDAEIFVQK 1khyA 85 :QDLVRVLNLCDKLAQK Number of specific fragments extracted= 9 number of extra gaps= 0 total=172 Number of alignments=29 # 1khyA read from 1khyA/merged-good-all-a2m # found chain 1khyA in template set Warning: unaligning (T0367)G93 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1khyA)Q82 Warning: unaligning (T0367)V98 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1khyA)Q82 T0367 2 :DELELRIRKAEKL 1khyA 8 :NKFQLALADAQSL T0367 19 :KKEFEMGLY 1khyA 21 :ALGHDNQFI T0367 38 :MFHAAKAMLLGYGRD 1khyA 31 :PLHLMSALLNQEGGS T0367 63 :IWECREELGLSDDDCSK 1khyA 46 :VSPLLTSAGINAGQLRT T0367 82 :RAFDLREESDY 1khyA 63 :DINQALNRLPQ T0367 99 :SKDLAIKILKDAEIFVQKA 1khyA 83 :PSQDLVRVLNLCDKLAQKR Number of specific fragments extracted= 6 number of extra gaps= 0 total=178 Number of alignments=30 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1ylmA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1ylmA expands to /projects/compbio/data/pdb/1ylm.pdb.gz 1ylmA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # T0367 read from 1ylmA/merged-good-all-a2m # 1ylmA read from 1ylmA/merged-good-all-a2m # adding 1ylmA to template set # found chain 1ylmA in template set Warning: unaligning (T0367)E5 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1ylmA)K11 Warning: unaligning (T0367)L6 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1ylmA)K11 T0367 2 :DEL 1ylmA 7 :SKI T0367 7 :RIRKAEKLVQDA 1ylmA 12 :TLGFFEHQLALF T0367 19 :KKEFEM 1ylmA 35 :ELALQR T0367 26 :LYERCCSTAYYAMFHAAK 1ylmA 41 :IGHLLIECILDTGNDMID T0367 47 :LGYGRDSKTHRGTIYLI 1ylmA 59 :GFIMRDPGSYDDIMDIL T0367 68 :EELG 1ylmA 76 :VDEK T0367 72 :LSDDDCSKLSRAFDLREESD 1ylmA 81 :VTEKEGDELKKLIAYRKTLV T0367 93 :GIYKEVSKDLAIKILK 1ylmA 101 :QQYLLADSGELYRLIK T0367 109 :DAEIFVQKAKNAVNK 1ylmA 121 :ALQDFPKRIRSYLET Number of specific fragments extracted= 9 number of extra gaps= 1 total=187 Number of alignments=31 # 1ylmA read from 1ylmA/merged-good-all-a2m # found chain 1ylmA in template set Warning: unaligning (T0367)E5 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1ylmA)K11 Warning: unaligning (T0367)L6 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1ylmA)K11 T0367 2 :DEL 1ylmA 7 :SKI T0367 7 :RIRKAEKLVQDA 1ylmA 12 :TLGFFEHQLALF T0367 19 :KK 1ylmA 35 :EL T0367 26 :LYERCCSTAYYAMFHAAKAMLLGYG 1ylmA 37 :ALQRIGHLLIECILDTGNDMIDGFI T0367 51 :RDSKTHRGTIYLIW 1ylmA 63 :RDPGSYDDIMDILV T0367 69 :ELG 1ylmA 77 :DEK T0367 72 :LSDDDCSKLSRAFDLREES 1ylmA 81 :VTEKEGDELKKLIAYRKTL T0367 93 :GIYKEVSKDLAIKILK 1ylmA 101 :QQYLLADSGELYRLIK T0367 109 :DAEIFVQKAKNAVNK 1ylmA 121 :ALQDFPKRIRSYLET Number of specific fragments extracted= 9 number of extra gaps= 1 total=196 Number of alignments=32 # 1ylmA read from 1ylmA/merged-good-all-a2m # found chain 1ylmA in template set Warning: unaligning (T0367)E5 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1ylmA)K11 Warning: unaligning (T0367)L6 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1ylmA)K11 T0367 2 :DEL 1ylmA 7 :SKI T0367 7 :RIRKAEKLVQDA 1ylmA 12 :TLGFFEHQLALF T0367 19 :KKEF 1ylmA 35 :ELAL T0367 28 :ERCCSTAYYAMFHAAKAMLLGYGRDSKT 1ylmA 39 :QRIGHLLIECILDTGNDMIDGFIMRDPG T0367 56 :H 1ylmA 68 :Y T0367 65 :ECREELGLSDDDCSKLS 1ylmA 73 :DILVDEKVVTEKEGDEL T0367 82 :RAFDLREES 1ylmA 91 :KLIAYRKTL T0367 92 :YGIYKEVSKDLAIKILKD 1ylmA 100 :VQQYLLADSGELYRLIKA T0367 110 :AEIFVQKAKNAVN 1ylmA 122 :LQDFPKRIRSYLE Number of specific fragments extracted= 9 number of extra gaps= 1 total=205 Number of alignments=33 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1gs5A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0367 read from 1gs5A/merged-good-all-a2m # 1gs5A read from 1gs5A/merged-good-all-a2m # found chain 1gs5A in training set T0367 17 :DAKKEFEMG 1gs5A 132 :LINSLLENG T0367 38 :MFHAAKAMLLGYGR 1gs5A 161 :ADQAATALAATLGA T0367 84 :FDLREESDYGIYKEVSKDLAIKILK 1gs5A 182 :VSGILDGKGQRIAEMTAAKAEQLIE Number of specific fragments extracted= 3 number of extra gaps= 0 total=208 Number of alignments=34 # 1gs5A read from 1gs5A/merged-good-all-a2m # found chain 1gs5A in training set T0367 17 :DAKKEFEMG 1gs5A 132 :LINSLLENG Number of specific fragments extracted= 1 number of extra gaps= 0 total=209 # 1gs5A read from 1gs5A/merged-good-all-a2m # found chain 1gs5A in training set T0367 17 :DAKKEFEMGLYERCCSTAYYAMFHAAKAM 1gs5A 200 :KAEQLIEQGIITDGMIVKVNAALDAARTL Number of specific fragments extracted= 1 number of extra gaps= 0 total=210 Number of alignments=35 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1wolA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1wolA expands to /projects/compbio/data/pdb/1wol.pdb.gz 1wolA:# T0367 read from 1wolA/merged-good-all-a2m # 1wolA read from 1wolA/merged-good-all-a2m # adding 1wolA to template set # found chain 1wolA in template set Warning: unaligning (T0367)F84 because of BadResidue code BAD_PEPTIDE in next template residue (1wolA)T81 Warning: unaligning (T0367)D85 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1wolA)P82 Warning: unaligning (T0367)V121 because of BadResidue code HAS_OXT+BAD_PEPTIDE in next template residue (1wolA)K122 T0367 1 :MDELELRIRKAEKLVQDAKKEFEMGLYERCCSTAYYAMFHAAKAMLLGYGRDSKTHR 1wolA 1 :MKRVEDWIKQAERDLEEARYAKSGGYYELACFLSQQCAEKAVKGLLQFQGIEKRGHS T0367 59 :TIYLI 1wolA 58 :ISHLL T0367 71 :GLSDD 1wolA 64 :NPPAD T0367 76 :DCSKLSRA 1wolA 72 :CATFLDKQ T0367 86 :LREESDYGIYKE 1wolA 83 :SRYPDVYYEGAP T0367 98 :VSKDLAIKILKDAEIFVQKAKNA 1wolA 98 :YTERDADECINCAIRILNWVKGQ Number of specific fragments extracted= 6 number of extra gaps= 3 total=216 Number of alignments=36 # 1wolA read from 1wolA/merged-good-all-a2m # found chain 1wolA in template set Warning: unaligning (T0367)R87 because of BadResidue code BAD_PEPTIDE in next template residue (1wolA)T81 Warning: unaligning (T0367)E88 because of BadResidue code BAD_PEPTIDE at template residue (1wolA)T81 Warning: unaligning (T0367)E89 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1wolA)P82 Warning: unaligning (T0367)V121 because of BadResidue code HAS_OXT+BAD_PEPTIDE in next template residue (1wolA)K122 T0367 1 :MDELELRIRKAEKLVQDAKKEFEMGLYERCCSTAYYAMFHAAKAMLLGYGRDSKTHR 1wolA 1 :MKRVEDWIKQAERDLEEARYAKSGGYYELACFLSQQCAEKAVKGLLQFQGIEKRGHS T0367 59 :TIYLI 1wolA 58 :ISHLL T0367 71 :GLSDDDCSKLSRAFDL 1wolA 64 :NPPADILQCATFLDKQ T0367 90 :SDYGIYKE 1wolA 83 :SRYPDVYY T0367 98 :VSKDLAIKILKDAEIFVQKAKNA 1wolA 98 :YTERDADECINCAIRILNWVKGQ Number of specific fragments extracted= 5 number of extra gaps= 2 total=221 Number of alignments=37 # 1wolA read from 1wolA/merged-good-all-a2m # found chain 1wolA in template set Warning: unaligning (T0367)C77 because of BadResidue code BAD_PEPTIDE in next template residue (1wolA)T81 Warning: unaligning (T0367)S78 because of BadResidue code BAD_PEPTIDE at template residue (1wolA)T81 Warning: unaligning (T0367)K79 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1wolA)P82 T0367 3 :ELELRIRKAEKLVQDAKKEFEMGLYERCCSTAYYAMFHAAKAMLLGYGRDSKTHRGTIYL 1wolA 3 :RVEDWIKQAERDLEEARYAKSGGYYELACFLSQQCAEKAVKGLLQFQGIEKRGHSISHLL T0367 65 :ECREELGLSDDD 1wolA 68 :DILQCATFLDKQ T0367 80 :LSRAFDLREESDYGIY 1wolA 83 :SRYPDVYYEGAPYEYY T0367 99 :SKDLAIKILKDAEIFVQKAKNA 1wolA 99 :TERDADECINCAIRILNWVKGQ Number of specific fragments extracted= 4 number of extra gaps= 1 total=225 Number of alignments=38 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1sauA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0367 read from 1sauA/merged-good-all-a2m # 1sauA read from 1sauA/merged-good-all-a2m # found chain 1sauA in training set T0367 53 :SKTHRGTIYLIWECREELG 1sauA 47 :TEEHWKIIRYLRDYFIKYG T0367 72 :LSD 1sauA 67 :APP T0367 77 :CSKLSRAF 1sauA 70 :VRMLVKHC T0367 94 :IYKE 1sauA 80 :EVRP T0367 98 :VSKDLAIKI 1sauA 85 :CNLQYIYKL Number of specific fragments extracted= 5 number of extra gaps= 0 total=230 Number of alignments=39 # 1sauA read from 1sauA/merged-good-all-a2m # found chain 1sauA in training set T0367 54 :KTHRGTIYLIWECREELGLSD 1sauA 48 :EEHWKIIRYLRDYFIKYGVAP T0367 77 :CSKLSRAF 1sauA 70 :VRMLVKHC T0367 86 :L 1sauA 79 :K T0367 93 :GIYKEVSKDLAIKI 1sauA 80 :EVRPDCNLQYIYKL Number of specific fragments extracted= 4 number of extra gaps= 0 total=234 Number of alignments=40 # 1sauA read from 1sauA/merged-good-all-a2m # found chain 1sauA in training set T0367 101 :DLAIKILKDAEIFV 1sauA 48 :EEHWKIIRYLRDYF T0367 116 :KAKNAVNK 1sauA 72 :MLVKHCKK Number of specific fragments extracted= 2 number of extra gaps= 0 total=236 Number of alignments=41 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1qhdA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1qhdA expands to /projects/compbio/data/pdb/1qhd.pdb.gz 1qhdA:Skipped atom 1767, because occupancy 0.500 <= existing 0.500 in 1qhdA Skipped atom 1769, because occupancy 0.500 <= existing 0.500 in 1qhdA Skipped atom 1771, because occupancy 0.500 <= existing 0.500 in 1qhdA Skipped atom 2271, because occupancy 0.500 <= existing 0.500 in 1qhdA Skipped atom 2273, because occupancy 0.500 <= existing 0.500 in 1qhdA Skipped atom 2275, because occupancy 0.500 <= existing 0.500 in 1qhdA Skipped atom 2277, because occupancy 0.500 <= existing 0.500 in 1qhdA Skipped atom 2279, because occupancy 0.500 <= existing 0.500 in 1qhdA Skipped atom 2281, because occupancy 0.500 <= existing 0.500 in 1qhdA Skipped atom 2283, because occupancy 0.500 <= existing 0.500 in 1qhdA Skipped atom 3111, because occupancy 0.500 <= existing 0.500 in 1qhdA Skipped atom 3113, because occupancy 0.500 <= existing 0.500 in 1qhdA Skipped atom 3138, because occupancy 0.500 <= existing 0.500 in 1qhdA Skipped atom 3140, because occupancy 0.500 <= existing 0.500 in 1qhdA # T0367 read from 1qhdA/merged-good-all-a2m # 1qhdA read from 1qhdA/merged-good-all-a2m # adding 1qhdA to template set # found chain 1qhdA in template set T0367 34 :AYYAMFHAAKAMLLG 1qhdA 3 :VLYSLSKTLKDARDK T0367 49 :YGRDSKTHRGTIYLIWECREELG 1qhdA 20 :EGTLYSNVSDLIQQFNQMIITMN T0367 72 :LS 1qhdA 54 :LP T0367 86 :LR 1qhdA 56 :IR T0367 88 :EESDYGIYKE 1qhdA 59 :WNFDFGLLGT T0367 98 :VSKDLAIKILKDAEIFVQKAKNAV 1qhdA 73 :LDANYVETARNTIDYFVDFVDNVC Number of specific fragments extracted= 6 number of extra gaps= 0 total=242 Number of alignments=42 # 1qhdA read from 1qhdA/merged-good-all-a2m # found chain 1qhdA in template set T0367 37 :AMFHAAKAM 1qhdA 3 :VLYSLSKTL T0367 46 :LLGY 1qhdA 14 :ARDK T0367 50 :GRDSKTHRGTIYLIWECREEL 1qhdA 21 :GTLYSNVSDLIQQFNQMIITM T0367 71 :G 1qhdA 43 :G T0367 86 :LREESDYGIYKE 1qhdA 57 :RNWNFDFGLLGT T0367 98 :VSKDLAIKILKDAEIFVQKAKNA 1qhdA 73 :LDANYVETARNTIDYFVDFVDNV Number of specific fragments extracted= 6 number of extra gaps= 0 total=248 Number of alignments=43 # 1qhdA read from 1qhdA/merged-good-all-a2m # found chain 1qhdA in template set T0367 15 :VQDAKKEF 1qhdA 11 :LKDARDKI T0367 48 :GYGRDSKTHRGTIYLIWECREELGLSDDDCSKLSRAFDLREESDYGI 1qhdA 19 :VEGTLYSNVSDLIQQFNQMIITMNGNEFQTGGIGNLPIRNWNFDFGL T0367 95 :YKEVS 1qhdA 70 :LLNLD T0367 100 :KDLAIKILKDAEIFVQKAK 1qhdA 78 :VETARNTIDYFVDFVDNVC Number of specific fragments extracted= 4 number of extra gaps= 0 total=252 Number of alignments=44 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1gzsB/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1gzsB expands to /projects/compbio/data/pdb/1gzs.pdb.gz 1gzsB:# T0367 read from 1gzsB/merged-good-all-a2m # 1gzsB read from 1gzsB/merged-good-all-a2m # adding 1gzsB to template set # found chain 1gzsB in template set T0367 2 :DELELRIRKAEKLV 1gzsB 81 :KVVKDFMLQTLNDI T0367 16 :QDAKK 1gzsB 98 :GSASK T0367 21 :EFEM 1gzsB 106 :YASQ T0367 27 :YERCCSTAYYAMFH 1gzsB 110 :TREAILSAVYSKNK T0367 41 :AAKAMLLGYGRDSK 1gzsB 125 :QCCNLLISKGINIA T0367 58 :GTIYLIWECREELGLS 1gzsB 139 :PFLQEIGEAAKNAGLP T0367 75 :D 1gzsB 160 :D T0367 76 :DCSKLSRAFDLREESDYG 1gzsB 172 :FITPLISSANSKYPRMFI T0367 99 :SKDLAIKILKDAEIFV 1gzsB 190 :NQHQQASFKIYAEKII T0367 115 :QKA 1gzsB 207 :TEV Number of specific fragments extracted= 10 number of extra gaps= 0 total=262 Number of alignments=45 # 1gzsB read from 1gzsB/merged-good-all-a2m # found chain 1gzsB in template set T0367 2 :DELELRI 1gzsB 81 :KVVKDFM T0367 12 :EKLVQD 1gzsB 88 :LQTLND T0367 18 :AKKEFEMG 1gzsB 96 :IRGSASKD T0367 26 :LYERCCSTAYYAMFHAAKA 1gzsB 106 :YASQTREAILSAVYSKNKD T0367 45 :MLLGYGRDS 1gzsB 129 :LLISKGINI T0367 57 :RGTIYLIWECREELGL 1gzsB 138 :APFLQEIGEAAKNAGL T0367 74 :D 1gzsB 169 :A T0367 75 :DDCSKLSRAFDLREESDYG 1gzsB 171 :PFITPLISSANSKYPRMFI T0367 99 :SKDLAIKILKDAEIFV 1gzsB 190 :NQHQQASFKIYAEKII T0367 115 :QKA 1gzsB 207 :TEV Number of specific fragments extracted= 10 number of extra gaps= 0 total=272 Number of alignments=46 # 1gzsB read from 1gzsB/merged-good-all-a2m # found chain 1gzsB in template set T0367 2 :DELELRIRKAEKLV 1gzsB 81 :KVVKDFMLQTLNDI T0367 16 :QDAKK 1gzsB 98 :GSASK T0367 21 :EFEMGLYERCCSTAYYAMFHAAKAMLLGYGRDS 1gzsB 105 :AYASQTREAILSAVYSKNKDQCCNLLISKGINI T0367 57 :RGTIYLIWECREELGLS 1gzsB 138 :APFLQEIGEAAKNAGLP T0367 74 :DDDCSKLS 1gzsB 158 :KNDVFTPS T0367 82 :RAFDLREESDYGIYKEVSKDLAIKILKDAE 1gzsB 176 :LISSANSKYPRMFINQHQQASFKIYAEKII Number of specific fragments extracted= 6 number of extra gaps= 0 total=278 Number of alignments=47 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1vdrA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1vdrA expands to /projects/compbio/data/pdb/1vdr.pdb.gz 1vdrA:# T0367 read from 1vdrA/merged-good-all-a2m # 1vdrA read from 1vdrA/merged-good-all-a2m # adding 1vdrA to template set # found chain 1vdrA in template set Warning: unaligning (T0367)G93 because of BadResidue code BAD_PEPTIDE in next template residue (1vdrA)V73 Warning: unaligning (T0367)I94 because of BadResidue code BAD_PEPTIDE at template residue (1vdrA)V73 T0367 87 :REESDY 1vdrA 66 :RSERSF T0367 95 :YKE 1vdrA 74 :DTA T0367 98 :VSKDLAIKILK 1vdrA 80 :ASVEEAVDIAA Number of specific fragments extracted= 3 number of extra gaps= 1 total=281 Number of alignments=48 # 1vdrA read from 1vdrA/merged-good-all-a2m # found chain 1vdrA in template set Warning: unaligning (T0367)G93 because of BadResidue code BAD_PEPTIDE in next template residue (1vdrA)V73 Warning: unaligning (T0367)I94 because of BadResidue code BAD_PEPTIDE at template residue (1vdrA)V73 T0367 87 :REESDY 1vdrA 66 :RSERSF T0367 95 :YKE 1vdrA 74 :DTA T0367 98 :VSKDLAIKILK 1vdrA 80 :ASVEEAVDIAA Number of specific fragments extracted= 3 number of extra gaps= 1 total=284 Number of alignments=49 # 1vdrA read from 1vdrA/merged-good-all-a2m # found chain 1vdrA in template set T0367 98 :VSKDLAIKILKD 1vdrA 80 :ASVEEAVDIAAS Number of specific fragments extracted= 1 number of extra gaps= 0 total=285 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1kzhA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1kzhA expands to /projects/compbio/data/pdb/1kzh.pdb.gz 1kzhA:# T0367 read from 1kzhA/merged-good-all-a2m # 1kzhA read from 1kzhA/merged-good-all-a2m # adding 1kzhA to template set # found chain 1kzhA in template set Number of specific fragments extracted= 0 number of extra gaps= 0 total=285 # 1kzhA read from 1kzhA/merged-good-all-a2m # found chain 1kzhA in template set Warning: unaligning (T0367)Y92 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1kzhA)D140 Warning: unaligning (T0367)G93 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1kzhA)D140 T0367 32 :STAYYAMFHAAKAM 1kzhA 88 :HNVISGVFDAIKKF T0367 57 :RGTIYLIWE 1kzhA 111 :KGGPLGLLE T0367 70 :LG 1kzhA 120 :ND T0367 72 :LSDDDCS 1kzhA 125 :LTESLIN T0367 85 :DLREESD 1kzhA 132 :SYRNTGG T0367 94 :IYKE 1kzhA 141 :IVSS T0367 98 :VSKDLAIKILKDAEI 1kzhA 150 :ETEEHYNKALFVAKE Number of specific fragments extracted= 7 number of extra gaps= 1 total=292 Number of alignments=50 # 1kzhA read from 1kzhA/merged-good-all-a2m # found chain 1kzhA in template set T0367 106 :ILKDAEIFVQKAKN 1kzhA 227 :YSELIGNLCRDAMS Number of specific fragments extracted= 1 number of extra gaps= 0 total=293 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1na3A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0367 read from 1na3A/merged-good-all-a2m # 1na3A read from 1na3A/merged-good-all-a2m # found chain 1na3A in training set T0367 11 :AEKLVQDAKKEFEMGLYERCCSTAYYAMFH 1na3A 4 :AEAWYNLGNAYYKQGDYDEAIEYYQKALEL T0367 54 :KTHRGTIYLIWECREELG 1na3A 35 :PNNAEAWYNLGNAYYKQG T0367 99 :SKDLAIKILKDAEIF 1na3A 53 :DYDEAIEYYQKALEL T0367 117 :AKNAVNK 1na3A 74 :AKQDLGN Number of specific fragments extracted= 4 number of extra gaps= 0 total=297 Number of alignments=51 # 1na3A read from 1na3A/merged-good-all-a2m # found chain 1na3A in training set T0367 11 :AEKLVQDAKKEFEMGLYERCCSTAYYAMFH 1na3A 4 :AEAWYNLGNAYYKQGDYDEAIEYYQKALEL T0367 53 :SKTHRGTIYLIWECREELGLSDDDCSKLSRAFDLREES 1na3A 34 :DPNNAEAWYNLGNAYYKQGDYDEAIEYYQKALELDPNN T0367 101 :DLAIKILKDAEI 1na3A 72 :AEAKQDLGNAKQ Number of specific fragments extracted= 3 number of extra gaps= 0 total=300 Number of alignments=52 # 1na3A read from 1na3A/merged-good-all-a2m # found chain 1na3A in training set T0367 11 :AEKLVQDAKKEFEMGLYERCCSTAYYAMFH 1na3A 4 :AEAWYNLGNAYYKQGDYDEAIEYYQKALEL T0367 53 :SKTHRGTIYLIWECREELG 1na3A 34 :DPNNAEAWYNLGNAYYKQG T0367 99 :SKDLAIKILKDAEIF 1na3A 53 :DYDEAIEYYQKALEL T0367 117 :AKNAVNK 1na3A 74 :AKQDLGN Number of specific fragments extracted= 4 number of extra gaps= 0 total=304 Number of alignments=53 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1t0qA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1t0qA expands to /projects/compbio/data/pdb/1t0q.pdb.gz 1t0qA:# T0367 read from 1t0qA/merged-good-all-a2m # 1t0qA read from 1t0qA/merged-good-all-a2m # adding 1t0qA to template set # found chain 1t0qA in template set Warning: unaligning (T0367)D74 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (1t0qA)P314 Warning: unaligning (T0367)R87 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1t0qA)P340 Warning: unaligning (T0367)E88 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1t0qA)P340 T0367 21 :EFEMGLYERCCSTAYYAMFHAAKAMLLGY 1t0qA 245 :LVENGKKDEAQQMVDVAIWRSWKLFSVLT T0367 50 :GRDSKT 1t0qA 280 :YTPLES T0367 57 :RGTIYLIWECREELGLS 1t0qA 296 :EWIVAQFERQLLDLGLD T0367 75 :DDCSK 1t0qA 318 :DQFMQ T0367 80 :LSRAF 1t0qA 324 :LDETH T0367 89 :ESDYGIYKEVSKDLAIKI 1t0qA 341 :TVWWDPAAGVSPEEREWL T0367 107 :LKDAEIFVQKAKNAVNKNR 1t0qA 366 :NDTWGQCWDVITDNLVNGK Number of specific fragments extracted= 7 number of extra gaps= 2 total=311 Number of alignments=54 # 1t0qA read from 1t0qA/merged-good-all-a2m # found chain 1t0qA in template set Warning: unaligning (T0367)D74 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (1t0qA)P314 Warning: unaligning (T0367)R87 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1t0qA)P340 Warning: unaligning (T0367)E88 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1t0qA)P340 T0367 21 :EFEMGLYERCCSTAYYAMFHAAKAMLL 1t0qA 245 :LVENGKKDEAQQMVDVAIWRSWKLFSV T0367 48 :GYGRDSKTHR 1t0qA 278 :DYYTPLESRN T0367 58 :GTIYLIWECREELGLS 1t0qA 297 :WIVAQFERQLLDLGLD T0367 75 :DDCSKLSRAFDL 1t0qA 315 :WYWDQFMQDLDE T0367 89 :ESDYGIYKEVSKDLAIKI 1t0qA 341 :TVWWDPAAGVSPEEREWL T0367 107 :LKDAEIFVQKAKNAVNKNR 1t0qA 366 :NDTWGQCWDVITDNLVNGK Number of specific fragments extracted= 6 number of extra gaps= 2 total=317 Number of alignments=55 # 1t0qA read from 1t0qA/merged-good-all-a2m # found chain 1t0qA in template set Warning: unaligning (T0367)D74 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (1t0qA)P314 Warning: unaligning (T0367)D75 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (1t0qA)P314 Warning: unaligning (T0367)R87 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1t0qA)P340 Warning: unaligning (T0367)E88 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1t0qA)P340 T0367 22 :FEMGLYERCCSTAYYAMFHAAKAMLLGY 1t0qA 246 :VENGKKDEAQQMVDVAIWRSWKLFSVLT T0367 50 :GRDSKTHRGTIYL 1t0qA 282 :PLESRNQSFKEFM T0367 63 :IWECREELGLS 1t0qA 302 :FERQLLDLGLD T0367 76 :DCSKLS 1t0qA 315 :WYWDQF T0367 82 :R 1t0qA 323 :D T0367 83 :AFDL 1t0qA 335 :VWYW T0367 89 :ESDYGIYKEVSKDLAIK 1t0qA 344 :WDPAAGVSPEEREWLEE T0367 106 :ILKDAEIFVQKAKNAVNKNR 1t0qA 365 :WNDTWGQCWDVITDNLVNGK Number of specific fragments extracted= 8 number of extra gaps= 2 total=325 Number of alignments=56 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1ufbA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1ufbA expands to /projects/compbio/data/pdb/1ufb.pdb.gz 1ufbA:# T0367 read from 1ufbA/merged-good-all-a2m # 1ufbA read from 1ufbA/merged-good-all-a2m # adding 1ufbA to template set # found chain 1ufbA in template set T0367 3 :ELELRIRKAEKLVQDAKKEFEMGLYERCCSTAYYAMFHAAKAMLLGYGRDSKTHR 1ufbA 3 :RARDWLEQARHNLRHAQGSLGLGDYAWACFAAQQAAEAALKGLHLARGQVAWGHS T0367 59 :TIYLIWECREELGLSDDDC 1ufbA 58 :ILDLLADLPEDVDVPEDLV T0367 78 :SKLSRAF 1ufbA 80 :KVLDKYY T0367 85 :DLREESDYGIYKE 1ufbA 88 :PTRYPDAHPAGPA T0367 98 :VSKDLAIKILKDAEIFVQKAKNA 1ufbA 104 :YTRLEAEEALDLAQKILAFVEEK Number of specific fragments extracted= 5 number of extra gaps= 0 total=330 Number of alignments=57 # 1ufbA read from 1ufbA/merged-good-all-a2m # found chain 1ufbA in template set T0367 3 :ELELRIRKAEKLVQDAKKEFEMGLYERCCSTAYYAMFHAAKAMLLGYGRDSKTHR 1ufbA 3 :RARDWLEQARHNLRHAQGSLGLGDYAWACFAAQQAAEAALKGLHLARGQVAWGHS T0367 59 :TIYLIWECREELGLSDDD 1ufbA 58 :ILDLLADLPEDVDVPEDL T0367 77 :CSKLSRAF 1ufbA 79 :AKVLDKYY T0367 85 :DLREESDYGIYKE 1ufbA 88 :PTRYPDAHPAGPA T0367 98 :VSKDLAIKILKDAEIFVQKAKNA 1ufbA 104 :YTRLEAEEALDLAQKILAFVEEK Number of specific fragments extracted= 5 number of extra gaps= 0 total=335 Number of alignments=58 # 1ufbA read from 1ufbA/merged-good-all-a2m # found chain 1ufbA in template set T0367 3 :ELELRIRKAEKLVQDAKKEFEMGLYERCCSTAYYAMFHAAKAMLLGYGRDSKTHRGTIYLIW 1ufbA 3 :RARDWLEQARHNLRHAQGSLGLGDYAWACFAAQQAAEAALKGLHLARGQVAWGHSILDLLAD T0367 65 :ECREELGLSDDDCSKLSRAFDLREE 1ufbA 74 :DLVEAAKVLDKYYIPTRYPDAHPAG T0367 91 :DYG 1ufbA 99 :PAA T0367 96 :KEVSKDLAIKILKDAEIFVQKAKNA 1ufbA 102 :RHYTRLEAEEALDLAQKILAFVEEK Number of specific fragments extracted= 4 number of extra gaps= 0 total=339 Number of alignments=59 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1xx1A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0367 read from 1xx1A/merged-good-all-a2m # 1xx1A read from 1xx1A/merged-good-all-a2m # found chain 1xx1A in training set T0367 34 :AYYAMFHAAKAMLLGY 1xx1A 102 :VRPAGENVAKELLQNY T0367 52 :DSKT 1xx1A 120 :NGNN T0367 56 :HRGTIYLIWECREELGL 1xx1A 138 :HYEFVRGFKEVLKKEGH T0367 74 :DDDCSK 1xx1A 155 :EDLLEK T0367 93 :GIYKE 1xx1A 167 :GPYLP T0367 98 :VSKDLAIKILKDA 1xx1A 174 :PTLDATHEAYKKA T0367 111 :EIFVQKAKNAVNK 1xx1A 207 :MARLKEAIKSRDS Number of specific fragments extracted= 7 number of extra gaps= 0 total=346 Number of alignments=60 # 1xx1A read from 1xx1A/merged-good-all-a2m # found chain 1xx1A in training set T0367 26 :LYE 1xx1A 101 :QVR T0367 36 :YAMFHAAKAMLLGY 1xx1A 104 :PAGENVAKELLQNY T0367 52 :DSKTHRGTIYLIWECREELGLS 1xx1A 134 :PDIGHYEFVRGFKEVLKKEGHE T0367 75 :DDCS 1xx1A 156 :DLLE T0367 92 :Y 1xx1A 165 :F T0367 93 :GIYKE 1xx1A 167 :GPYLP T0367 98 :VSKDLAIKILKDA 1xx1A 174 :PTLDATHEAYKKA T0367 111 :EIFVQKAKNAVNK 1xx1A 207 :MARLKEAIKSRDS Number of specific fragments extracted= 8 number of extra gaps= 0 total=354 Number of alignments=61 # 1xx1A read from 1xx1A/merged-good-all-a2m # found chain 1xx1A in training set T0367 35 :YYAMFHAAKAMLLGY 1xx1A 103 :RPAGENVAKELLQNY T0367 52 :DSKTHRGTIYLIWECREELGLSD 1xx1A 134 :PDIGHYEFVRGFKEVLKKEGHED T0367 76 :DCSKLS 1xx1A 159 :EKVGYD T0367 90 :SDYGIYKEVSKDLAIKILKDA 1xx1A 166 :SGPYLPSLPTLDATHEAYKKA T0367 111 :EIFVQKAKNAVNKN 1xx1A 207 :MARLKEAIKSRDSA Number of specific fragments extracted= 5 number of extra gaps= 0 total=359 Number of alignments=62 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1o3uA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0367 read from 1o3uA/merged-good-all-a2m # 1o3uA read from 1o3uA/merged-good-all-a2m # found chain 1o3uA in training set Warning: unaligning (T0367)R87 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1o3uA)D86 Warning: unaligning (T0367)I94 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1o3uA)D86 Warning: unaligning (T0367)N124 because last residue in template chain is (1o3uA)I123 T0367 7 :RIRKAEKLVQDAKKEFEMGLYERCCSTAYYAMFHAAKAMLLGYGRDSKTHR 1o3uA 0 :HMDAAKDDLEHAKHDLEHGFYNWACFSSQQAAEKAVKAVFQRMGAQAWGYS T0367 59 :TIYLIWECREELGLSDDDCSKLSRAFDL 1o3uA 51 :VPDFLGELSSRFEIPEELMDHALELDKA T0367 95 :YKE 1o3uA 87 :ALP T0367 98 :VSKDLAIKILKDAEIFVQKAKNAVNK 1o3uA 97 :YSRIEAERLVNYAEKIIRFCEDLLSR Number of specific fragments extracted= 4 number of extra gaps= 0 total=363 Number of alignments=63 # 1o3uA read from 1o3uA/merged-good-all-a2m # found chain 1o3uA in training set Warning: unaligning (T0367)R87 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1o3uA)D86 Warning: unaligning (T0367)I94 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1o3uA)D86 T0367 7 :RIRKAEKLVQDAKKEFEMGLYERCCSTAYYAMFHAAKAMLLGYGRDSKTHR 1o3uA 0 :HMDAAKDDLEHAKHDLEHGFYNWACFSSQQAAEKAVKAVFQRMGAQAWGYS T0367 59 :TIYLIWECREELGLSDDDCSKLSRAFDL 1o3uA 51 :VPDFLGELSSRFEIPEELMDHALELDKA T0367 95 :YKE 1o3uA 87 :ALP T0367 98 :VSKDLAIKILKDAEIFVQKAKNAVNK 1o3uA 97 :YSRIEAERLVNYAEKIIRFCEDLLSR Number of specific fragments extracted= 4 number of extra gaps= 0 total=367 Number of alignments=64 # 1o3uA read from 1o3uA/merged-good-all-a2m # found chain 1o3uA in training set Warning: unaligning (T0367)E88 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1o3uA)D86 Warning: unaligning (T0367)N124 because last residue in template chain is (1o3uA)I123 T0367 7 :RIRKAEKLVQDAKKEFEMGLYERCCSTAYYAMFHAAKAMLLGYGRDSKTHRG 1o3uA 0 :HMDAAKDDLEHAKHDLEHGFYNWACFSSQQAAEKAVKAVFQRMGAQAWGYSV T0367 60 :IYLIWECREELGLSDDDCSKLS 1o3uA 52 :PDFLGELSSRFEIPEELMDHAL T0367 89 :ESDYGI 1o3uA 87 :ALPSGS T0367 95 :YKEVSKDLAIKILKDAEIFVQKAKNAVNK 1o3uA 94 :RNRYSRIEAERLVNYAEKIIRFCEDLLSR Number of specific fragments extracted= 4 number of extra gaps= 0 total=371 Number of alignments=65 # command:Warning: Couldn't open file /projects/compbio/experiments/protein-predict/casp7/T0367//projects/compbio/experiments/protein-predict/casp7/T0367/align.constraints_v3.costfcn or /projects/compbio/experiments/protein-predict/casp7/T0367//projects/compbio/experiments/protein-predict/casp7/T0367/align.constraints_v3.costfcn.gz for input Trying /projects/compbio/experiments/protein-predict/casp7/T0367/align.constraints_v3.costfcn # reading script from file /projects/compbio/experiments/protein-predict/casp7/T0367/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((T0367)E21.CB, (T0367)C30.CB) [> 2.4435 = 4.0725 < 5.2942] w=1.0000 to align # Constraint # added constraint: constraint((T0367)A18.CB, (T0367)C30.CB) [> 3.1571 = 5.2618 < 6.8403] w=0.9242 to align # Constraint # added constraint: constraint((T0367)E21.CB, (T0367)T33.CB) [> 3.6498 = 6.0831 < 7.9080] w=0.9181 to align # Constraint # added constraint: constraint((T0367)L14.CB, (T0367)T33.CB) [> 3.3927 = 5.6546 < 7.3509] w=0.8997 to align # Constraint # added constraint: constraint((T0367)A18.CB, (T0367)A34.CB) [> 3.0215 = 5.0359 < 6.5467] w=0.8968 to align # Constraint # added constraint: constraint((T0367)L14.CB, (T0367)A37.CB) [> 2.5067 = 4.1778 < 5.4311] w=0.8816 to align # Constraint # added constraint: constraint((T0367)A11.CB, (T0367)A37.CB) [> 3.1475 = 5.2458 < 6.8195] w=0.8713 to align # Constraint # added constraint: constraint((T0367)A18.CB, (T0367)T33.CB) [> 2.2786 = 3.7977 < 4.9370] w=0.8452 to align # Constraint # added constraint: constraint((T0367)D17.CB, (T0367)T33.CB) [> 2.8844 = 4.8073 < 6.2495] w=0.8452 to align # Constraint # added constraint: constraint((T0367)V15.CB, (T0367)A37.CB) [> 2.8483 = 4.7472 < 6.1714] w=0.8452 to align # Constraint # added constraint: constraint((T0367)A11.CB, (T0367)H40.CB) [> 2.5545 = 4.2575 < 5.5347] w=0.8146 to align # Constraint # added constraint: constraint((T0367)L14.CB, (T0367)Y36.CB) [> 2.8749 = 4.7916 < 6.2291] w=0.7953 to align # Constraint # added constraint: constraint((T0367)A18.CB, (T0367)A37.CB) [> 3.6276 = 6.0460 < 7.8598] w=0.7953 to align # Constraint # added constraint: constraint((T0367)Y27.CB, (T0367)A103.CB) [> 2.8566 = 4.7611 < 6.1894] w=0.7376 to align # Constraint # added constraint: constraint((T0367)C31.CB, (T0367)I106.CB) [> 3.0269 = 5.0449 < 6.5583] w=0.7220 to align # Constraint # added constraint: constraint((T0367)C30.CB, (T0367)L107.CB) [> 3.8092 = 6.3486 < 8.2532] w=0.7078 to align # Constraint # added constraint: constraint((T0367)A11.CB, (T0367)A41.CB) [> 2.6508 = 4.4180 < 5.7434] w=0.6929 to align # Constraint # added constraint: constraint((T0367)A34.CB, (T0367)A110.CB) [> 2.7400 = 4.5667 < 5.9367] w=0.6896 to align # Constraint # added constraint: constraint((T0367)C31.CB, (T0367)A103.CB) [> 3.5710 = 5.9517 < 7.7372] w=0.6896 to align # Constraint # added constraint: constraint((T0367)V15.CB, (T0367)V114.CB) [> 3.7648 = 6.2747 < 8.1571] w=0.6873 to align # Constraint # added constraint: constraint((T0367)V15.CB, (T0367)A34.CB) [> 4.1959 = 6.9931 < 9.0910] w=0.6871 to align # Constraint # added constraint: constraint((T0367)L14.CB, (T0367)A34.CB) [> 4.5262 = 7.5436 < 9.8067] w=0.6871 to align # Constraint # added constraint: constraint((T0367)A34.CB, (T0367)I106.CB) [> 3.0438 = 5.0730 < 6.5949] w=0.6856 to align # Constraint # added constraint: constraint((T0367)A41.CB, (T0367)A117.CB) [> 2.8172 = 4.6954 < 6.1040] w=0.6837 to align # Constraint # added constraint: constraint((T0367)A18.CB, (T0367)C31.CB) [> 4.6048 = 7.6747 < 9.9771] w=0.6655 to align # Constraint # added constraint: constraint((T0367)K19.CB, (T0367)C30.CB) [> 4.5200 = 7.5333 < 9.7934] w=0.6341 to align # Constraint # added constraint: constraint((T0367)V15.CB, (T0367)T33.CB) [> 4.4256 = 7.3760 < 9.5888] w=0.6341 to align # Constraint # added constraint: constraint((T0367)I63.CB, (T0367)L72.CB) [> 2.9813 = 4.9688 < 6.4594] w=0.6251 to align # Constraint # added constraint: constraint((T0367)M38.CB, (T0367)F113.CB) [> 2.9944 = 4.9907 < 6.4879] w=0.6208 to align # Constraint # added constraint: constraint((T0367)M45.CB, (T0367)A120.CB) [> 3.6641 = 6.1068 < 7.9388] w=0.6193 to align # Constraint # added constraint: constraint((T0367)I60.CB, (T0367)S81.CB) [> 3.3421 = 5.5702 < 7.2412] w=0.6114 to align # Constraint # added constraint: constraint((T0367)A11.CB, (T0367)A117.CB) [> 4.4925 = 7.4875 < 9.7337] w=0.6086 to align # Constraint # added constraint: constraint((T0367)A42.CB, (T0367)I63.CB) [> 3.6673 = 6.1122 < 7.9458] w=0.6081 to align # Constraint # added constraint: constraint((T0367)A42.CB, (T0367)T59.CB) [> 3.3375 = 5.5626 < 7.2313] w=0.6018 to align # Constraint # added constraint: constraint((T0367)A11.CB, (T0367)M38.CB) [> 4.4014 = 7.3357 < 9.5364] w=0.5962 to align # Constraint # added constraint: constraint((T0367)S53.CB, (T0367)L62.CB) [> 3.1775 = 5.2958 < 6.8846] w=0.5877 to align # Constraint # added constraint: constraint((T0367)A42.CB, (T0367)L62.CB) [> 3.1371 = 5.2284 < 6.7970] w=0.5869 to align # Constraint # added constraint: constraint((T0367)A18.CB, (T0367)L107.CB) [> 3.2688 = 5.4481 < 7.0825] w=0.5838 to align # Constraint # added constraint: constraint((T0367)V15.CB, (T0367)E111.CB) [> 3.8514 = 6.4189 < 8.3446] w=0.5838 to align # Constraint # added constraint: constraint((T0367)A41.CB, (T0367)F113.CB) [> 3.5519 = 5.9199 < 7.6958] w=0.5711 to align # Constraint # added constraint: constraint((T0367)I60.CB, (T0367)C77.CB) [> 3.6286 = 6.0476 < 7.8619] w=0.5698 to align # Constraint # added constraint: constraint((T0367)M45.CB, (T0367)A117.CB) [> 3.0656 = 5.1094 < 6.6422] w=0.5602 to align # Constraint # added constraint: constraint((T0367)L46.CB, (T0367)L62.CB) [> 3.8070 = 6.3449 < 8.2484] w=0.5522 to align # Constraint # added constraint: constraint((T0367)V15.CB, (T0367)A110.CB) [> 3.4137 = 5.6895 < 7.3963] w=0.5475 to align # Constraint # added constraint: constraint((T0367)F39.CB, (T0367)H56.CB) [> 3.7535 = 6.2558 < 8.1326] w=0.5451 to align # Constraint # added constraint: constraint((T0367)R7.CB, (T0367)A44.CB) [> 2.2797 = 3.7995 < 4.9394] w=0.5433 to align # Constraint # added constraint: constraint((T0367)A42.CB, (T0367)A117.CB) [> 3.7497 = 6.2495 < 8.1243] w=0.5402 to align # Constraint # added constraint: constraint((T0367)A34.CB, (T0367)L107.CB) [> 3.2169 = 5.3615 < 6.9700] w=0.5399 to align # Constraint # added constraint: constraint((T0367)I63.CB, (T0367)C77.CB) [> 3.7755 = 6.2926 < 8.1803] w=0.5377 to align # Constraint # added constraint: constraint((T0367)M38.CB, (T0367)T59.CB) [> 2.9414 = 4.9023 < 6.3730] w=0.5368 to align # Constraint # added constraint: constraint((T0367)E28.CB, (T0367)A103.CB) [> 4.4677 = 7.4462 < 9.6800] w=0.5367 to align # Constraint # added constraint: constraint((T0367)I8.CB, (T0367)A41.CB) [> 3.8934 = 6.4891 < 8.4358] w=0.5272 to align # Constraint # added constraint: constraint((T0367)R7.CB, (T0367)A41.CB) [> 4.1816 = 6.9693 < 9.0601] w=0.5272 to align # Constraint # added constraint: constraint((T0367)E12.CB, (T0367)V114.CB) [> 4.0701 = 6.7835 < 8.8185] w=0.5217 to align # Constraint # added constraint: constraint((T0367)F22.CB, (T0367)A103.CB) [> 3.0994 = 5.1657 < 6.7154] w=0.5210 to align # Constraint # added constraint: constraint((T0367)L80.CB, (T0367)F113.CB) [> 4.2623 = 7.1038 < 9.2349] w=0.5202 to align # Constraint # added constraint: constraint((T0367)A11.CB, (T0367)V114.CB) [> 3.3307 = 5.5511 < 7.2165] w=0.5134 to align # Constraint # added constraint: constraint((T0367)I8.CB, (T0367)K118.CB) [> 4.2524 = 7.0873 < 9.2135] w=0.5134 to align # Constraint # added constraint: constraint((T0367)I8.CB, (T0367)A117.CB) [> 4.2213 = 7.0355 < 9.1462] w=0.5134 to align # Constraint # added constraint: constraint((T0367)I8.CB, (T0367)H40.CB) [> 4.4296 = 7.3826 < 9.5974] w=0.5087 to align # Constraint # added constraint: constraint((T0367)Y27.CB, (T0367)S99.CB) [> 3.1904 = 5.3173 < 6.9125] w=0.5068 to align # Constraint # added constraint: constraint((T0367)C30.CB, (T0367)A103.CB) [> 2.5607 = 4.2678 < 5.5481] w=0.5065 to align # Constraint # added constraint: constraint((T0367)M38.CB, (T0367)A110.CB) [> 2.9618 = 4.9364 < 6.4173] w=0.5035 to align # Constraint # added constraint: constraint((T0367)F22.CB, (T0367)L107.CB) [> 3.8587 = 6.4312 < 8.3606] w=0.5035 to align # Constraint # added constraint: constraint((T0367)A44.CB, (T0367)A117.CB) [> 3.7879 = 6.3132 < 8.2071] w=0.4980 to align # Constraint # added constraint: constraint((T0367)F22.CB, (T0367)I104.CB) [> 4.1467 = 6.9112 < 8.9846] w=0.4952 to align # Constraint # added constraint: constraint((T0367)Y27.CB, (T0367)K100.CB) [> 3.5273 = 5.8789 < 7.6426] w=0.4930 to align # Constraint # added constraint: constraint((T0367)C30.CB, (T0367)I106.CB) [> 3.8403 = 6.4005 < 8.3207] w=0.4912 to align # Constraint # added constraint: constraint((T0367)Y27.CB, (T0367)L102.CB) [> 3.7655 = 6.2759 < 8.1586] w=0.4912 to align # Constraint # added constraint: constraint((T0367)A41.CB, (T0367)V114.CB) [> 2.7836 = 4.6393 < 6.0311] w=0.4886 to align # Constraint # added constraint: constraint((T0367)A42.CB, (T0367)F113.CB) [> 3.9578 = 6.5963 < 8.5752] w=0.4846 to align # Constraint # added constraint: constraint((T0367)A41.CB, (T0367)A110.CB) [> 4.6299 = 7.7165 < 10.0315] w=0.4831 to align # Constraint # added constraint: constraint((T0367)A37.CB, (T0367)F113.CB) [> 4.5782 = 7.6303 < 9.9194] w=0.4770 to align # Constraint # added constraint: constraint((T0367)K10.CB, (T0367)H40.CB) [> 2.7969 = 4.6615 < 6.0599] w=0.4758 to align # Constraint # added constraint: constraint((T0367)R7.CB, (T0367)L47.CB) [> 3.6650 = 6.1084 < 7.9409] w=0.4750 to align # Constraint # added constraint: constraint((T0367)R7.CB, (T0367)K43.CB) [> 3.0305 = 5.0509 < 6.5662] w=0.4750 to align # Constraint # added constraint: constraint((T0367)G25.CA, (T0367)K100.CB) [> 4.3739 = 7.2899 < 9.4768] w=0.4588 to align # Constraint # added constraint: constraint((T0367)C31.CB, (T0367)L102.CB) [> 3.9338 = 6.5563 < 8.5232] w=0.4588 to align # Constraint # added constraint: constraint((T0367)A34.CB, (T0367)A103.CB) [> 4.6124 = 7.6874 < 9.9936] w=0.4588 to align # Constraint # added constraint: constraint((T0367)Y35.CB, (T0367)I106.CB) [> 4.4217 = 7.3695 < 9.5804] w=0.4588 to align # Constraint # added constraint: constraint((T0367)Y35.CB, (T0367)A110.CB) [> 4.3906 = 7.3177 < 9.5130] w=0.4588 to align # Constraint # added constraint: constraint((T0367)M38.CB, (T0367)D109.CB) [> 4.2063 = 7.0105 < 9.1136] w=0.4588 to align # Constraint # added constraint: constraint((T0367)A41.CB, (T0367)K118.CB) [> 4.7198 = 7.8663 < 10.2262] w=0.4588 to align # Constraint # added constraint: constraint((T0367)D76.CB, (T0367)K116.CB) [> 3.5947 = 5.9913 < 7.7886] w=0.4421 to align # Constraint # added constraint: constraint((T0367)A42.CB, (T0367)S53.CB) [> 4.3028 = 7.1714 < 9.3228] w=0.4381 to align # Constraint # added constraint: constraint((T0367)D76.CB, (T0367)F113.CB) [> 3.7688 = 6.2814 < 8.1658] w=0.4379 to align # Constraint # added constraint: constraint((T0367)I60.CB, (T0367)L80.CB) [> 3.1615 = 5.2691 < 6.8498] w=0.4260 to align # Constraint # added constraint: constraint((T0367)A83.CB, (T0367)I106.CB) [> 3.6687 = 6.1144 < 7.9488] w=0.4228 to align # Constraint # added constraint: constraint((T0367)D17.CB, (T0367)A37.CB) [> 4.6582 = 7.7636 < 10.0927] w=0.4216 to align # Constraint # added constraint: constraint((T0367)S73.CB, (T0367)K116.CB) [> 4.3763 = 7.2939 < 9.4820] w=0.4197 to align # Constraint # added constraint: constraint((T0367)M38.CB, (T0367)L80.CB) [> 3.6429 = 6.0715 < 7.8929] w=0.4197 to align # Constraint # added constraint: constraint((T0367)F39.CB, (T0367)L62.CB) [> 3.9356 = 6.5593 < 8.5271] w=0.4188 to align # Constraint # added constraint: constraint((T0367)L80.CB, (T0367)D109.CB) [> 4.0523 = 6.7538 < 8.7799] w=0.4114 to align # Constraint # added constraint: constraint((T0367)K43.CB, (T0367)L62.CB) [> 3.9481 = 6.5801 < 8.5541] w=0.4079 to align # Constraint # added constraint: constraint((T0367)K79.CB, (T0367)D109.CB) [> 2.7468 = 4.5779 < 5.9513] w=0.3932 to align # Constraint # added constraint: constraint((T0367)L46.CB, (T0367)T59.CB) [> 3.6110 = 6.0183 < 7.8238] w=0.3845 to align # Constraint # added constraint: constraint((T0367)I60.CB, (T0367)F84.CB) [> 3.6645 = 6.1076 < 7.9398] w=0.3731 to align # Constraint # added constraint: constraint((T0367)A11.CB, (T0367)Y36.CB) [> 4.6414 = 7.7356 < 10.0563] w=0.3731 to align # Constraint # added constraint: constraint((T0367)F22.CB, (T0367)K100.CB) [> 4.0039 = 6.6731 < 8.6751] w=0.3681 to align # Constraint # added constraint: constraint((T0367)Y35.CB, (T0367)T59.CB) [> 4.1944 = 6.9906 < 9.0878] w=0.3654 to align # Constraint # added constraint: constraint((T0367)A11.CB, (T0367)F39.CB) [> 4.6997 = 7.8328 < 10.1827] w=0.3544 to align # Constraint # added constraint: constraint((T0367)Y35.CB, (T0367)F84.CB) [> 3.8289 = 6.3814 < 8.2959] w=0.3541 to align # Constraint # added constraint: constraint((T0367)L46.CB, (T0367)C66.CB) [> 4.2936 = 7.1560 < 9.3028] w=0.3434 to align # Constraint # added constraint: constraint((T0367)L4.CB, (T0367)A44.CB) [> 2.9167 = 4.8611 < 6.3195] w=0.3423 to align # Constraint # added constraint: constraint((T0367)Y35.CB, (T0367)A83.CB) [> 2.7955 = 4.6591 < 6.0568] w=0.3423 to align # Constraint # added constraint: constraint((T0367)M38.CB, (T0367)I63.CB) [> 3.5766 = 5.9609 < 7.7492] w=0.3247 to align # Constraint # added constraint: constraint((T0367)I63.CB, (T0367)D76.CB) [> 3.9088 = 6.5147 < 8.4692] w=0.3219 to align # Constraint # added constraint: constraint((T0367)M45.CB, (T0367)L70.CB) [> 4.6866 = 7.8110 < 10.1542] w=0.3210 to align # Constraint # added constraint: constraint((T0367)T59.CB, (T0367)F113.CB) [> 4.1961 = 6.9934 < 9.0915] w=0.3059 to align # Constraint # added constraint: constraint((T0367)L4.CB, (T0367)L47.CB) [> 2.7735 = 4.6225 < 6.0093] w=0.3059 to align # Constraint # added constraint: constraint((T0367)L4.CB, (T0367)G48.CA) [> 2.6738 = 4.4563 < 5.7933] w=0.3059 to align # Constraint # added constraint: constraint((T0367)E5.CB, (T0367)A44.CB) [> 4.5814 = 7.6357 < 9.9264] w=0.3059 to align # Constraint # added constraint: constraint((T0367)K79.CB, (T0367)I112.CB) [> 3.6068 = 6.0113 < 7.8146] w=0.3038 to align # Constraint # added constraint: constraint((T0367)A83.CB, (T0367)F113.CB) [> 3.9461 = 6.5768 < 8.5498] w=0.3027 to align # Constraint # added constraint: constraint((T0367)A83.CB, (T0367)A110.CB) [> 4.0015 = 6.6692 < 8.6700] w=0.3007 to align # Constraint # added constraint: constraint((T0367)E28.CB, (T0367)V98.CB) [> 2.4673 = 4.1122 < 5.3458] w=0.2913 to align # Constraint # added constraint: constraint((T0367)M38.CB, (T0367)I60.CB) [> 3.9334 = 6.5556 < 8.5223] w=0.2794 to align # Constraint # added constraint: constraint((T0367)M38.CB, (T0367)H56.CB) [> 4.4821 = 7.4702 < 9.7112] w=0.2770 to align # Constraint # added constraint: constraint((T0367)A44.CB, (T0367)V121.CB) [> 3.9834 = 6.6391 < 8.6308] w=0.2677 to align # Constraint # added constraint: constraint((T0367)M45.CB, (T0367)C66.CB) [> 3.9210 = 6.5349 < 8.4954] w=0.2633 to align # Constraint # added constraint: constraint((T0367)L72.CB, (T0367)K116.CB) [> 4.2911 = 7.1519 < 9.2975] w=0.2585 to align # Constraint # added constraint: constraint((T0367)W64.CB, (T0367)S73.CB) [> 4.1917 = 6.9862 < 9.0821] w=0.2550 to align # Constraint # added constraint: constraint((T0367)C31.CB, (T0367)V98.CB) [> 3.5772 = 5.9620 < 7.7506] w=0.2549 to align # Constraint # added constraint: constraint((T0367)L70.CB, (T0367)A120.CB) [> 3.5709 = 5.9515 < 7.7370] w=0.2549 to align # Constraint # added constraint: constraint((T0367)L46.CB, (T0367)E65.CB) [> 4.5304 = 7.5507 < 9.8160] w=0.2549 to align # Constraint # added constraint: constraint((T0367)F39.CB, (T0367)F84.CB) [> 4.4933 = 7.4888 < 9.7354] w=0.2489 to align # Constraint # added constraint: constraint((T0367)M45.CB, (T0367)T59.CB) [> 3.6133 = 6.0221 < 7.8288] w=0.2401 to align # Constraint # added constraint: constraint((T0367)Y49.CB, (T0367)L70.CB) [> 4.0050 = 6.6750 < 8.6775] w=0.2329 to align # Constraint # added constraint: constraint((T0367)S90.CB, (T0367)A103.CB) [> 3.5871 = 5.9785 < 7.7720] w=0.2320 to align # Constraint # added constraint: constraint((T0367)C77.CB, (T0367)F113.CB) [> 3.8874 = 6.4789 < 8.4226] w=0.2229 to align # Constraint # added constraint: constraint((T0367)S32.CB, (T0367)R87.CB) [> 4.1237 = 6.8728 < 8.9346] w=0.2183 to align # Constraint # added constraint: constraint((T0367)M38.CB, (T0367)G58.CA) [> 3.7015 = 6.1692 < 8.0199] w=0.2149 to align # Constraint # added constraint: constraint((T0367)C31.CB, (T0367)L86.CB) [> 3.1592 = 5.2654 < 6.8450] w=0.2075 to align # Constraint # added constraint: constraint((T0367)C31.CB, (T0367)A83.CB) [> 2.9878 = 4.9797 < 6.4736] w=0.2075 to align # Constraint # added constraint: constraint((T0367)C31.CB, (T0367)S90.CB) [> 3.4755 = 5.7925 < 7.5302] w=0.1990 to align # Constraint # added constraint: constraint((T0367)S90.CB, (T0367)I106.CB) [> 3.6209 = 6.0349 < 7.8453] w=0.1931 to align # Constraint # added constraint: constraint((T0367)L4.CB, (T0367)M45.CB) [> 4.3270 = 7.2117 < 9.3752] w=0.1893 to align # Constraint # added constraint: constraint((T0367)S32.CB, (T0367)L86.CB) [> 2.6809 = 4.4682 < 5.8087] w=0.1883 to align # Constraint # added constraint: constraint((T0367)C66.CB, (T0367)F113.CB) [> 4.0690 = 6.7816 < 8.8161] w=0.1859 to align # Constraint # added constraint: constraint((T0367)C30.CB, (T0367)V98.CB) [> 4.1820 = 6.9700 < 9.0611] w=0.1853 to align # Constraint # added constraint: constraint((T0367)C30.CB, (T0367)A110.CB) [> 3.5314 = 5.8857 < 7.6514] w=0.1679 to align # Constraint # added constraint: constraint((T0367)S73.CB, (T0367)F113.CB) [> 4.5490 = 7.5817 < 9.8562] w=0.1648 to align # Constraint # added constraint: constraint((T0367)A41.CB, (T0367)V121.CB) [> 4.2331 = 7.0552 < 9.1718] w=0.1646 to align # Constraint # added constraint: constraint((T0367)I94.CB, (T0367)A103.CB) [> 4.1582 = 6.9303 < 9.0094] w=0.1596 to align # Constraint # added constraint: constraint((T0367)A41.CB, (T0367)I63.CB) [> 3.9715 = 6.6191 < 8.6049] w=0.1569 to align # Constraint # added constraint: constraint((T0367)R67.CB, (T0367)C77.CB) [> 3.9787 = 6.6312 < 8.6205] w=0.1549 to align # Constraint # added constraint: constraint((T0367)I8.CB, (T0367)V121.CB) [> 4.1500 = 6.9167 < 8.9917] w=0.1529 to align # Constraint # added constraint: constraint((T0367)R82.CB, (T0367)K105.CB) [> 4.3535 = 7.2558 < 9.4326] w=0.1529 to align # Constraint # added constraint: constraint((T0367)S32.CB, (T0367)A83.CB) [> 3.2903 = 5.4839 < 7.1290] w=0.1529 to align # Constraint # added constraint: constraint((T0367)K10.CB, (T0367)Y36.CB) [> 4.7176 = 7.8627 < 10.2215] w=0.1529 to align # Constraint # added constraint: constraint((T0367)A11.CB, (T0367)A110.CB) [> 4.7574 = 7.9289 < 10.3076] w=0.1529 to align # Constraint # added constraint: constraint((T0367)T33.CB, (T0367)A110.CB) [> 4.7076 = 7.8460 < 10.1998] w=0.1529 to align # Constraint # added constraint: constraint((T0367)Y49.CB, (T0367)C66.CB) [> 4.2338 = 7.0564 < 9.1733] w=0.1519 to align # Constraint # added constraint: constraint((T0367)A11.CB, (T0367)V121.CB) [> 3.1381 = 5.2302 < 6.7992] w=0.1498 to align # Constraint # added constraint: constraint((T0367)C31.CB, (T0367)A110.CB) [> 4.7435 = 7.9058 < 10.2776] w=0.1498 to align # Constraint # added constraint: constraint((T0367)H56.CB, (T0367)S81.CB) [> 4.1774 = 6.9623 < 9.0510] w=0.1466 to align # Constraint # added constraint: constraint((T0367)G93.CA, (T0367)A103.CB) [> 2.8847 = 4.8078 < 6.2501] w=0.1458 to align # Constraint # added constraint: constraint((T0367)K43.CB, (T0367)T59.CB) [> 3.5298 = 5.8830 < 7.6479] w=0.1453 to align # Constraint # added constraint: constraint((T0367)I60.CB, (T0367)A110.CB) [> 2.3142 = 3.8570 < 5.0141] w=0.1447 to align # Constraint # added constraint: constraint((T0367)G58.CA, (T0367)A110.CB) [> 3.6449 = 6.0748 < 7.8972] w=0.1447 to align # Constraint # added constraint: constraint((T0367)A41.CB, (T0367)A120.CB) [> 4.5495 = 7.5825 < 9.8572] w=0.1438 to align # Constraint # added constraint: constraint((T0367)C31.CB, (T0367)R67.CB) [> 4.1307 = 6.8845 < 8.9499] w=0.1409 to align # Constraint # added constraint: constraint((T0367)A11.CB, (T0367)H56.CB) [> 4.0582 = 6.7638 < 8.7929] w=0.1326 to align # Constraint # added constraint: constraint((T0367)Y27.CB, (T0367)L70.CB) [> 3.1543 = 5.2572 < 6.8343] w=0.1326 to align # Constraint # added constraint: constraint((T0367)C30.CB, (T0367)L62.CB) [> 4.5662 = 7.6104 < 9.8935] w=0.1326 to align # Constraint # added constraint: constraint((T0367)C30.CB, (T0367)C66.CB) [> 2.7592 = 4.5986 < 5.9782] w=0.1326 to align # Constraint # added constraint: constraint((T0367)A11.CB, (T0367)K43.CB) [> 4.6041 = 7.6736 < 9.9756] w=0.1318 to align # Constraint # added constraint: constraint((T0367)L86.CB, (T0367)L102.CB) [> 4.2844 = 7.1407 < 9.2829] w=0.1235 to align # Constraint # added constraint: constraint((T0367)E28.CB, (T0367)R87.CB) [> 4.3115 = 7.1858 < 9.3415] w=0.1201 to align # Constraint # added constraint: constraint((T0367)Y61.CB, (T0367)A120.CB) [> 4.3318 = 7.2197 < 9.3855] w=0.1152 to align # Constraint # added constraint: constraint((T0367)I94.CB, (T0367)I106.CB) [> 3.6796 = 6.1327 < 7.9725] w=0.1125 to align # Constraint # added constraint: constraint((T0367)S32.CB, (T0367)D76.CB) [> 3.3167 = 5.5278 < 7.1862] w=0.1020 to align # Constraint # added constraint: constraint((T0367)E28.CB, (T0367)Y92.CB) [> 3.0605 = 5.1008 < 6.6310] w=0.1020 to align # Constraint # added constraint: constraint((T0367)R29.CB, (T0367)L86.CB) [> 4.1481 = 6.9135 < 8.9875] w=0.1020 to align # Constraint # added constraint: constraint((T0367)E28.CB, (T0367)L86.CB) [> 2.5274 = 4.2123 < 5.4760] w=0.1020 to align # Constraint # added constraint: constraint((T0367)L26.CB, (T0367)S99.CB) [> 3.5927 = 5.9878 < 7.7841] w=0.0956 to align # Constraint # added constraint: constraint((T0367)Y95.CB, (T0367)I106.CB) [> 4.1826 = 6.9710 < 9.0623] w=0.0898 to align # Constraint # added constraint: constraint((T0367)E28.CB, (T0367)Y95.CB) [> 3.4673 = 5.7789 < 7.5125] w=0.0874 to align # Constraint # added constraint: constraint((T0367)S32.CB, (T0367)I94.CB) [> 4.2165 = 7.0274 < 9.1357] w=0.0853 to align # Constraint # added constraint: constraint((T0367)W64.CB, (T0367)V121.CB) [> 4.6914 = 7.8190 < 10.1648] w=0.0828 to align # Constraint # added constraint: constraint((T0367)L47.CB, (T0367)A83.CB) [> 4.3119 = 7.1865 < 9.3425] w=0.0775 to align # Constraint # added constraint: constraint((T0367)Y49.CB, (T0367)V98.CB) [> 4.0770 = 6.7950 < 8.8335] w=0.0754 to align # Constraint # added constraint: constraint((T0367)Y92.CB, (T0367)A103.CB) [> 3.4219 = 5.7031 < 7.4141] w=0.0717 to align # Constraint # added constraint: constraint((T0367)C31.CB, (T0367)S73.CB) [> 3.8786 = 6.4644 < 8.4037] w=0.0714 to align # Constraint # added constraint: constraint((T0367)L26.CB, (T0367)V98.CB) [> 3.8650 = 6.4417 < 8.3742] w=0.0694 to align # Constraint # added constraint: constraint((T0367)C31.CB, (T0367)I94.CB) [> 3.2812 = 5.4687 < 7.1093] w=0.0661 to align # Constraint # added constraint: constraint((T0367)L26.CB, (T0367)A103.CB) [> 4.4403 = 7.4005 < 9.6206] w=0.0632 to align # Constraint # added constraint: constraint((T0367)Y92.CB, (T0367)I106.CB) [> 3.2135 = 5.3559 < 6.9626] w=0.0630 to align # Constraint # added constraint: constraint((T0367)R57.CB, (T0367)I106.CB) [> 2.9501 = 4.9168 < 6.3919] w=0.0619 to align # Constraint # added constraint: constraint((T0367)S32.CB, (T0367)L80.CB) [> 2.5312 = 4.2187 < 5.4843] w=0.0593 to align # Constraint # added constraint: constraint((T0367)A11.CB, (T0367)Y27.CB) [> 3.0884 = 5.1473 < 6.6915] w=0.0568 to align # Constraint # added constraint: constraint((T0367)R29.CB, (T0367)Y92.CB) [> 4.4447 = 7.4079 < 9.6303] w=0.0561 to align # Constraint # added constraint: constraint((T0367)L4.CB, (T0367)A41.CB) [> 3.5522 = 5.9204 < 7.6965] w=0.0546 to align # Constraint # added constraint: constraint((T0367)A11.CB, (T0367)F113.CB) [> 4.4763 = 7.4606 < 9.6988] w=0.0546 to align # Constraint # added constraint: constraint((T0367)C30.CB, (T0367)L46.CB) [> 2.8719 = 4.7864 < 6.2224] w=0.0510 to align # Constraint # added constraint: constraint((T0367)Y27.CB, (T0367)L46.CB) [> 3.2419 = 5.4032 < 7.0241] w=0.0510 to align # Constraint # added constraint: constraint((T0367)R29.CB, (T0367)L80.CB) [> 4.1710 = 6.9517 < 9.0371] w=0.0510 to align # Constraint # added constraint: constraint((T0367)R82.CB, (T0367)D91.CB) [> 3.6760 = 6.1266 < 7.9646] w=0.0510 to align # Constraint # added constraint: constraint((T0367)L26.CB, (T0367)Y92.CB) [> 4.4149 = 7.3581 < 9.5655] w=0.0510 to align # Constraint # added constraint: constraint((T0367)M38.CB, (T0367)V121.CB) [> 4.3201 = 7.2002 < 9.3603] w=0.0499 to align # Constraint # added constraint: constraint((T0367)R51.CB, (T0367)R87.CB) [> 3.9094 = 6.5156 < 8.4703] w=0.0486 to align # Constraint # added constraint: constraint((T0367)M38.CB, (T0367)A103.CB) [> 3.3142 = 5.5237 < 7.1808] w=0.0479 to align # Constraint # added constraint: constraint((T0367)M38.CB, (T0367)I106.CB) [> 3.0611 = 5.1019 < 6.6324] w=0.0479 to align # Constraint # added constraint: constraint((T0367)A41.CB, (T0367)A103.CB) [> 4.1950 = 6.9917 < 9.0893] w=0.0479 to align # Constraint # added constraint: constraint((T0367)A11.CB, (T0367)R29.CB) [> 3.7498 = 6.2497 < 8.1247] w=0.0447 to align # Constraint # added constraint: constraint((T0367)H56.CB, (T0367)I106.CB) [> 3.3519 = 5.5864 < 7.2624] w=0.0430 to align # Constraint # added constraint: constraint((T0367)E88.CB, (T0367)F113.CB) [> 3.5259 = 5.8765 < 7.6395] w=0.0428 to align # Constraint # added constraint: constraint((T0367)E3.CB, (T0367)R51.CB) [> 4.3975 = 7.3291 < 9.5279] w=0.0320 to align # Constraint # added constraint: constraint((T0367)R7.CB, (T0367)R29.CB) [> 3.0853 = 5.1422 < 6.6848] w=0.0265 to align # Constraint # added constraint: constraint((T0367)I8.CB, (T0367)A110.CB) [> 3.6255 = 6.0424 < 7.8552] w=0.0249 to align # Constraint # added constraint: constraint((T0367)I8.CB, (T0367)I106.CB) [> 4.3040 = 7.1733 < 9.3253] w=0.0249 to align # Constraint # added constraint: constraint((T0367)A11.CB, (T0367)C30.CB) [> 3.9412 = 6.5687 < 8.5393] w=0.0182 to align # Constraint # added constraint: constraint((T0367)R29.CB, (T0367)Y95.CB) [> 3.6030 = 6.0050 < 7.8065] w=0.0102 to align # SetCost created cost = # ( 1.0000 * align ) # command:# Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0367/ # command:# reading script from file servers-clean.under # Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0367/decoys/ # ReadConformPDB reading from PDB file tr367.gromacs0.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file tr367.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file tr367.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file tr367.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS2.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS2 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS3.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS3 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS4.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS4 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS5.pdb.gz looking for model 1 # Found a chain break before 53 # 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 T0367 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 # Found a chain break before 113 # copying to AlignedFragments data structure # 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 T0367 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 T0367 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 T0367 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 T0367 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 T0367 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 T0367 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 T0367 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 T0367 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # ReadConformPDB reading from PDB file servers/3Dpro_TS1.pdb.gz looking for model 1 # Found a chain break before 59 # 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 58 # 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 85 # 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 58 # 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 94 # 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 27 # 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 99 # 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 89 # 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 102 # 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 123 # 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 83 # 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 # 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 89 # 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 89 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # ReadConformPDB reading from PDB file servers/CIRCLE_TS2.pdb.gz looking for model 1 # Found a chain break before 95 # 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 T0367 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 # Found a chain break before 58 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS4 # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS5 # ReadConformPDB reading from PDB file servers/CPHmodels_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 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 T0367 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 T0367 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 T0367 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 T0367 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 T0367 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS5 # ReadConformPDB reading from PDB file servers/Distill_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 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 T0367 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 T0367 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 T0367 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 T0367 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 93 # 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 T0367 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 T0367 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 T0367 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 T0367 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 121 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation FAMS_TS2 # ReadConformPDB reading from PDB file servers/FAMS_TS3.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # naming current conformation FAMS_TS3 # ReadConformPDB reading from PDB file servers/FAMS_TS4.pdb.gz looking for model 1 # Found a chain break before 58 # 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 113 # 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 59 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # ReadConformPDB reading from PDB file servers/FOLDpro_TS2.pdb.gz looking for model 1 # naming current conformation FOLDpro_TS2 # ReadConformPDB reading from PDB file servers/FOLDpro_TS3.pdb.gz looking for model 1 # naming current conformation FOLDpro_TS3 # ReadConformPDB reading from PDB file servers/FOLDpro_TS4.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # ReadConformPDB reading from PDB file servers/FOLDpro_TS5.pdb.gz looking for model 1 # naming current conformation FOLDpro_TS5 # ReadConformPDB reading from PDB file servers/FORTE1_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 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 T0367 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 T0367 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 T0367 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 T0367 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 T0367 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 T0367 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 T0367 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 T0367 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # ReadConformPDB reading from PDB file servers/FORTE2_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 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 T0367 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS2 # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 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 16 # 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 98 # 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 T0367 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 T0367 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL2 # ReadConformPDB reading from PDB file servers/FUGUE_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 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 T0367 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL4 # ReadConformPDB reading from PDB file servers/FUGUE_AL5.pdb.gz looking for model 1 Skipped atom 25, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 26, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 27, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 28, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 81, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 178, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 179, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 180, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 181, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 190, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 207, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 208, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 209, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 210, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 351, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 420, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 453, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz # WARNING: incomplete conformation T0367 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 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation FUNCTION_TS1 # ReadConformPDB reading from PDB file servers/FUNCTION_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation FUNCTION_TS2 # ReadConformPDB reading from PDB file servers/FUNCTION_TS3.pdb.gz looking for model 1 # Found a chain break before 113 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # ReadConformPDB reading from PDB file servers/FUNCTION_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation FUNCTION_TS4 # ReadConformPDB reading from PDB file servers/FUNCTION_TS5.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # ReadConformPDB reading from PDB file servers/Frankenstein_TS1.pdb.gz looking for model 1 # Found a chain break before 57 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS1 # ReadConformPDB reading from PDB file servers/Frankenstein_TS2.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS2 # ReadConformPDB reading from PDB file servers/Frankenstein_TS3.pdb.gz looking for model 1 # naming current conformation Frankenstein_TS3 # ReadConformPDB reading from PDB file servers/Frankenstein_TS4.pdb.gz looking for model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS4 # ReadConformPDB reading from PDB file servers/Frankenstein_TS5.pdb.gz looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS5 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # Found a chain break before 90 # 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 T0367 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS2 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # naming current conformation GeneSilicoMetaServer_TS3 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS4 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS5 # ReadConformPDB reading from PDB file servers/HHpred1_TS1.pdb.gz looking for model 1 # Found a chain break before 74 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # ReadConformPDB reading from PDB file servers/HHpred2_TS1.pdb.gz looking for model 1 # naming current conformation HHpred2_TS1 # ReadConformPDB reading from PDB file servers/HHpred3_TS1.pdb.gz looking for model 1 # naming current conformation HHpred3_TS1 # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 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 T0367 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 T0367 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 T0367 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 T0367 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 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # ReadConformPDB reading from PDB file servers/LOOPP_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 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 T0367 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 T0367 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 T0367 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # ReadConformPDB reading from PDB file servers/MIG_FROST_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation MIG_FROST_AL1 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS1.pdb.gz looking for model 1 # Found a chain break before 88 # 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 87 # 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 88 # 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 69 # 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 # 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 88 # 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 # 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 88 # 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 69 # 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 35 # 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 124 # 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 96 # 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 124 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation NN_PUT_lab_TS1 # ReadConformPDB reading from PDB file servers/POMYSL_TS1.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS1 # ReadConformPDB reading from PDB file servers/POMYSL_TS2.pdb.gz looking for model 1 # Found a chain break before 113 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS2 # ReadConformPDB reading from PDB file servers/POMYSL_TS3.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS3 # ReadConformPDB reading from PDB file servers/POMYSL_TS4.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS4 # ReadConformPDB reading from PDB file servers/POMYSL_TS5.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS5 # 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 67 # 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 88 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # ReadConformPDB reading from PDB file servers/PROTINFO_TS4.pdb.gz looking for model 1 # Found a chain break before 30 # 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 30 # 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 T0367 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # ReadConformPDB reading from PDB file servers/Pcons6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 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 T0367 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # ReadConformPDB reading from PDB file servers/Pcons6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # ReadConformPDB reading from PDB file servers/Pcons6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 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 T0367 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 121 # 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 93 # 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 122 # 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 121 # 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 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # 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 # Found a chain break before 85 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS3.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS3 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS4.pdb.gz looking for model 1 # Found a chain break before 85 # 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 T0367 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 # 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 92 # 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 58 # 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 # 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 94 # 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 123 # 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 123 # 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 123 # 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 123 # 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 123 # 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 96 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # ReadConformPDB reading from PDB file servers/RAPTOR_TS2.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS2 # ReadConformPDB reading from PDB file servers/RAPTOR_TS3.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS3 # ReadConformPDB reading from PDB file servers/RAPTOR_TS4.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS4 # ReadConformPDB reading from PDB file servers/RAPTOR_TS5.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS5 # ReadConformPDB reading from PDB file servers/ROBETTA_TS1.pdb.gz looking for model 1 # Found a chain break before 85 # 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 94 # 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 89 # 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 89 # 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 85 # 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 89 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 # naming current conformation ROKKY_TS2 # ReadConformPDB reading from PDB file servers/ROKKY_TS3.pdb.gz looking for model 1 # naming current conformation ROKKY_TS3 # ReadConformPDB reading from PDB file servers/SAM-T02_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 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 T0367 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 T0367 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 T0367 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 T0367 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 T0367 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 T0367 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 T0367 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 T0367 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 T0367 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 109 # 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 T0367 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 T0367 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 T0367 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 T0367 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 94 # 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 58 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # ReadConformPDB reading from PDB file servers/SP3_TS3.pdb.gz looking for model 1 # naming current conformation SP3_TS3 # ReadConformPDB reading from PDB file servers/SP3_TS4.pdb.gz looking for model 1 # Found a chain break before 81 # 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 82 # 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 91 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # ReadConformPDB reading from PDB file servers/SP4_TS2.pdb.gz looking for model 1 # naming current conformation SP4_TS2 # ReadConformPDB reading from PDB file servers/SP4_TS3.pdb.gz looking for model 1 # naming current conformation SP4_TS3 # ReadConformPDB reading from PDB file servers/SP4_TS4.pdb.gz looking for model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # ReadConformPDB reading from PDB file servers/SP4_TS5.pdb.gz looking for model 1 # naming current conformation SP4_TS5 # ReadConformPDB reading from PDB file servers/SPARKS2_TS1.pdb.gz looking for model 1 # naming current conformation SPARKS2_TS1 # ReadConformPDB reading from PDB file servers/SPARKS2_TS2.pdb.gz looking for model 1 # Found a chain break before 95 # 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 60 # 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 92 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # ReadConformPDB reading from PDB file servers/SPARKS2_TS5.pdb.gz looking for model 1 # naming current conformation SPARKS2_TS5 # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 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 T0367 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 T0367 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # ReadConformPDB reading from PDB file servers/UNI-EID_expm_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 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 T0367 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 T0367 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 T0367 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # ReadConformPDB reading from PDB file servers/Zhang-Server_TS1.pdb.gz looking for model 1 # Found a chain break before 96 # 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 91 # 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 68 # 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 88 # 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 86 # 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 121 # 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 T0367 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 T0367 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 T0367 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 T0367 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 T0367 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 T0367 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # Found a chain break before 42 # 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 79 # 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 94 # 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 59 # 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 35 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # ReadConformPDB reading from PDB file servers/karypis.srv_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 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 T0367 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 T0367 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS3 # ReadConformPDB reading from PDB file servers/karypis.srv_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # ReadConformPDB reading from PDB file servers/karypis.srv_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # naming current conformation keasar-server_TS1 # ReadConformPDB reading from PDB file servers/keasar-server_TS2.pdb.gz looking for model 1 # 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 # naming current conformation keasar-server_TS5 # ReadConformPDB reading from PDB file servers/mGen-3D_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 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 T0367 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 T0367 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS2 # ReadConformPDB reading from PDB file servers/nFOLD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS3 # ReadConformPDB reading from PDB file servers/nFOLD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 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 T0367 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: (T0367)M24.N and (T0367)G25.N only 0.000 apart, marking (T0367)G25.N as missing WARNING: atoms too close: (T0367)M24.CA and (T0367)G25.CA only 0.000 apart, marking (T0367)G25.CA as missing WARNING: atoms too close: (T0367)M24.O and (T0367)G25.O only 0.000 apart, marking (T0367)G25.O as missing WARNING: atoms too close: (T0367)M24.C and (T0367)G25.C only 0.000 apart, marking (T0367)G25.C as missing WARNING: atoms too close: (T0367)G25.N and (T0367)L26.N only 0.000 apart, marking (T0367)G25.N as missing WARNING: atoms too close: (T0367)M24.N and (T0367)L26.N only 0.000 apart, marking (T0367)L26.N as missing WARNING: atoms too close: (T0367)G25.CA and (T0367)L26.CA only 0.000 apart, marking (T0367)L26.CA as missing WARNING: atoms too close: (T0367)M24.CA and (T0367)L26.CA only 0.000 apart, marking (T0367)L26.CA as missing WARNING: atoms too close: (T0367)M24.CB and (T0367)L26.CB only 0.000 apart, marking (T0367)L26.CB as missing WARNING: atoms too close: (T0367)G25.O and (T0367)L26.O only 0.000 apart, marking (T0367)L26.O as missing WARNING: atoms too close: (T0367)M24.O and (T0367)L26.O only 0.000 apart, marking (T0367)L26.O as missing WARNING: atoms too close: (T0367)G25.C and (T0367)L26.C only 0.000 apart, marking (T0367)L26.C as missing WARNING: atoms too close: (T0367)M24.C and (T0367)L26.C only 0.000 apart, marking (T0367)L26.C as missing WARNING: atoms too close: (T0367)L26.N and (T0367)Y27.N only 0.000 apart, marking (T0367)L26.N as missing WARNING: atoms too close: (T0367)G25.N and (T0367)Y27.N only 0.000 apart, marking (T0367)G25.N as missing WARNING: atoms too close: (T0367)M24.N and (T0367)Y27.N only 0.000 apart, marking (T0367)Y27.N as missing WARNING: atoms too close: (T0367)L26.CA and (T0367)Y27.CA only 0.000 apart, marking (T0367)Y27.CA as missing WARNING: atoms too close: (T0367)G25.CA and (T0367)Y27.CA only 0.000 apart, marking (T0367)Y27.CA as missing WARNING: atoms too close: (T0367)M24.CA and (T0367)Y27.CA only 0.000 apart, marking (T0367)Y27.CA as missing WARNING: atoms too close: (T0367)L26.CB and (T0367)Y27.CB only 0.000 apart, marking (T0367)Y27.CB as missing WARNING: atoms too close: (T0367)M24.CB and (T0367)Y27.CB only 0.000 apart, marking (T0367)Y27.CB as missing WARNING: atoms too close: (T0367)L26.O and (T0367)Y27.O only 0.000 apart, marking (T0367)Y27.O as missing WARNING: atoms too close: (T0367)G25.O and (T0367)Y27.O only 0.000 apart, marking (T0367)Y27.O as missing WARNING: atoms too close: (T0367)M24.O and (T0367)Y27.O only 0.000 apart, marking (T0367)Y27.O as missing WARNING: atoms too close: (T0367)L26.C and (T0367)Y27.C only 0.000 apart, marking (T0367)Y27.C as missing WARNING: atoms too close: (T0367)G25.C and (T0367)Y27.C only 0.000 apart, marking (T0367)Y27.C as missing WARNING: atoms too close: (T0367)M24.C and (T0367)Y27.C only 0.000 apart, marking (T0367)Y27.C as missing WARNING: atoms too close: (T0367)Y27.N and (T0367)E28.N only 0.000 apart, marking (T0367)Y27.N as missing WARNING: atoms too close: (T0367)L26.N and (T0367)E28.N only 0.000 apart, marking (T0367)L26.N as missing WARNING: atoms too close: (T0367)G25.N and (T0367)E28.N only 0.000 apart, marking (T0367)G25.N as missing WARNING: atoms too close: (T0367)M24.N and (T0367)E28.N only 0.000 apart, marking (T0367)E28.N as missing WARNING: atoms too close: (T0367)Y27.CA and (T0367)E28.CA only 0.000 apart, marking (T0367)E28.CA as missing WARNING: atoms too close: (T0367)L26.CA and (T0367)E28.CA only 0.000 apart, marking (T0367)E28.CA as missing WARNING: atoms too close: (T0367)G25.CA and (T0367)E28.CA only 0.000 apart, marking (T0367)E28.CA as missing WARNING: atoms too close: (T0367)M24.CA and (T0367)E28.CA only 0.000 apart, marking (T0367)E28.CA as missing WARNING: atoms too close: (T0367)Y27.CB and (T0367)E28.CB only 0.000 apart, marking (T0367)E28.CB as missing WARNING: atoms too close: (T0367)L26.CB and (T0367)E28.CB only 0.000 apart, marking (T0367)E28.CB as missing WARNING: atoms too close: (T0367)M24.CB and (T0367)E28.CB only 0.000 apart, marking (T0367)E28.CB as missing WARNING: atoms too close: (T0367)Y27.O and (T0367)E28.O only 0.000 apart, marking (T0367)E28.O as missing WARNING: atoms too close: (T0367)L26.O and (T0367)E28.O only 0.000 apart, marking (T0367)E28.O as missing WARNING: atoms too close: (T0367)G25.O and (T0367)E28.O only 0.000 apart, marking (T0367)E28.O as missing WARNING: atoms too close: (T0367)M24.O and (T0367)E28.O only 0.000 apart, marking (T0367)E28.O as missing WARNING: atoms too close: (T0367)Y27.C and (T0367)E28.C only 0.000 apart, marking (T0367)E28.C as missing WARNING: atoms too close: (T0367)L26.C and (T0367)E28.C only 0.000 apart, marking (T0367)E28.C as missing WARNING: atoms too close: (T0367)G25.C and (T0367)E28.C only 0.000 apart, marking (T0367)E28.C as missing WARNING: atoms too close: (T0367)M24.C and (T0367)E28.C only 0.000 apart, marking (T0367)E28.C as missing WARNING: atoms too close: (T0367)E28.N and (T0367)R29.N only 0.000 apart, marking (T0367)E28.N as missing WARNING: atoms too close: (T0367)Y27.N and (T0367)R29.N only 0.000 apart, marking (T0367)Y27.N as missing WARNING: atoms too close: (T0367)L26.N and (T0367)R29.N only 0.000 apart, marking (T0367)L26.N as missing WARNING: atoms too close: (T0367)G25.N and (T0367)R29.N only 0.000 apart, marking (T0367)G25.N as missing WARNING: atoms too close: (T0367)M24.N and (T0367)R29.N only 0.000 apart, marking (T0367)R29.N as missing WARNING: atoms too close: (T0367)E28.CA and (T0367)R29.CA only 0.000 apart, marking (T0367)R29.CA as missing WARNING: atoms too close: (T0367)Y27.CA and (T0367)R29.CA only 0.000 apart, marking (T0367)R29.CA as missing WARNING: atoms too close: (T0367)L26.CA and (T0367)R29.CA only 0.000 apart, marking (T0367)R29.CA as missing WARNING: atoms too close: (T0367)G25.CA and (T0367)R29.CA only 0.000 apart, marking (T0367)R29.CA as missing WARNING: atoms too close: (T0367)M24.CA and (T0367)R29.CA only 0.000 apart, marking (T0367)R29.CA as missing WARNING: atoms too close: (T0367)E28.CB and (T0367)R29.CB only 0.000 apart, marking (T0367)R29.CB as missing WARNING: atoms too close: (T0367)Y27.CB and (T0367)R29.CB only 0.000 apart, marking (T0367)R29.CB as missing WARNING: atoms too close: (T0367)L26.CB and (T0367)R29.CB only 0.000 apart, marking (T0367)R29.CB as missing WARNING: atoms too close: (T0367)M24.CB and (T0367)R29.CB only 0.000 apart, marking (T0367)R29.CB as missing WARNING: atoms too close: (T0367)E28.O and (T0367)R29.O only 0.000 apart, marking (T0367)R29.O as missing WARNING: atoms too close: (T0367)Y27.O and (T0367)R29.O only 0.000 apart, marking (T0367)R29.O as missing WARNING: atoms too close: (T0367)L26.O and (T0367)R29.O only 0.000 apart, marking (T0367)R29.O as missing WARNING: atoms too close: (T0367)G25.O and (T0367)R29.O only 0.000 apart, marking (T0367)R29.O as missing WARNING: atoms too close: (T0367)M24.O and (T0367)R29.O only 0.000 apart, marking (T0367)R29.O as missing WARNING: atoms too close: (T0367)E28.C and (T0367)R29.C only 0.000 apart, marking (T0367)R29.C as missing WARNING: atoms too close: (T0367)Y27.C and (T0367)R29.C only 0.000 apart, marking (T0367)R29.C as missing WARNING: atoms too close: (T0367)L26.C and (T0367)R29.C only 0.000 apart, marking (T0367)R29.C as missing WARNING: atoms too close: (T0367)G25.C and (T0367)R29.C only 0.000 apart, marking (T0367)R29.C as missing WARNING: atoms too close: (T0367)M24.C and (T0367)R29.C only 0.000 apart, marking (T0367)R29.C as missing WARNING: atoms too close: (T0367)R29.N and (T0367)L72.N only 0.000 apart, marking (T0367)R29.N as missing WARNING: atoms too close: (T0367)E28.N and (T0367)L72.N only 0.000 apart, marking (T0367)E28.N as missing WARNING: atoms too close: (T0367)Y27.N and (T0367)L72.N only 0.000 apart, marking (T0367)Y27.N as missing WARNING: atoms too close: (T0367)L26.N and (T0367)L72.N only 0.000 apart, marking (T0367)L26.N as missing WARNING: atoms too close: (T0367)G25.N and (T0367)L72.N only 0.000 apart, marking (T0367)G25.N as missing WARNING: atoms too close: (T0367)M24.N and (T0367)L72.N only 0.000 apart, marking (T0367)L72.N as missing WARNING: atoms too close: (T0367)R29.CA and (T0367)L72.CA only 0.000 apart, marking (T0367)L72.CA as missing WARNING: atoms too close: (T0367)E28.CA and (T0367)L72.CA only 0.000 apart, marking (T0367)L72.CA as missing WARNING: atoms too close: (T0367)Y27.CA and (T0367)L72.CA only 0.000 apart, marking (T0367)L72.CA as missing WARNING: atoms too close: (T0367)L26.CA and (T0367)L72.CA only 0.000 apart, marking (T0367)L72.CA as missing WARNING: atoms too close: (T0367)G25.CA and (T0367)L72.CA only 0.000 apart, marking (T0367)L72.CA as missing WARNING: atoms too close: (T0367)M24.CA and (T0367)L72.CA only 0.000 apart, marking (T0367)L72.CA as missing WARNING: atoms too close: (T0367)R29.CB and (T0367)L72.CB only 0.000 apart, marking (T0367)L72.CB as missing WARNING: atoms too close: (T0367)E28.CB and (T0367)L72.CB only 0.000 apart, marking (T0367)L72.CB as missing WARNING: atoms too close: (T0367)Y27.CB and (T0367)L72.CB only 0.000 apart, marking (T0367)L72.CB as missing WARNING: atoms too close: (T0367)L26.CB and (T0367)L72.CB only 0.000 apart, marking (T0367)L72.CB as missing WARNING: atoms too close: (T0367)M24.CB and (T0367)L72.CB only 0.000 apart, marking (T0367)L72.CB as missing WARNING: atoms too close: (T0367)R29.O and (T0367)L72.O only 0.000 apart, marking (T0367)L72.O as missing WARNING: atoms too close: (T0367)E28.O and (T0367)L72.O only 0.000 apart, marking (T0367)L72.O as missing WARNING: atoms too close: (T0367)Y27.O and (T0367)L72.O only 0.000 apart, marking (T0367)L72.O as missing WARNING: atoms too close: (T0367)L26.O and (T0367)L72.O only 0.000 apart, marking (T0367)L72.O as missing WARNING: atoms too close: (T0367)G25.O and (T0367)L72.O only 0.000 apart, marking (T0367)L72.O as missing WARNING: atoms too close: (T0367)M24.O and (T0367)L72.O only 0.000 apart, marking (T0367)L72.O as missing WARNING: atoms too close: (T0367)R29.C and (T0367)L72.C only 0.000 apart, marking (T0367)L72.C as missing WARNING: atoms too close: (T0367)E28.C and (T0367)L72.C only 0.000 apart, marking (T0367)L72.C as missing WARNING: atoms too close: (T0367)Y27.C and (T0367)L72.C only 0.000 apart, marking (T0367)L72.C as missing WARNING: atoms too close: (T0367)L26.C and (T0367)L72.C only 0.000 apart, marking (T0367)L72.C as missing WARNING: atoms too close: (T0367)G25.C and (T0367)L72.C only 0.000 apart, marking (T0367)L72.C as missing WARNING: atoms too close: (T0367)M24.C and (T0367)L72.C only 0.000 apart, marking (T0367)L72.C as missing WARNING: atoms too close: (T0367)L72.N and (T0367)S73.N only 0.000 apart, marking (T0367)L72.N as missing WARNING: atoms too close: (T0367)R29.N and (T0367)S73.N only 0.000 apart, marking (T0367)R29.N as missing WARNING: atoms too close: (T0367)E28.N and (T0367)S73.N only 0.000 apart, marking (T0367)E28.N as missing WARNING: atoms too close: (T0367)Y27.N and (T0367)S73.N only 0.000 apart, marking (T0367)Y27.N as missing WARNING: atoms too close: (T0367)L26.N and (T0367)S73.N only 0.000 apart, marking (T0367)L26.N as missing WARNING: atoms too close: (T0367)G25.N and (T0367)S73.N only 0.000 apart, marking (T0367)G25.N as missing WARNING: atoms too close: (T0367)M24.N and (T0367)S73.N only 0.000 apart, marking (T0367)S73.N as missing WARNING: atoms too close: (T0367)L72.CA and (T0367)S73.CA only 0.000 apart, marking (T0367)S73.CA as missing WARNING: atoms too close: (T0367)R29.CA and (T0367)S73.CA only 0.000 apart, marking (T0367)S73.CA as missing WARNING: atoms too close: (T0367)E28.CA and (T0367)S73.CA only 0.000 apart, marking (T0367)S73.CA as missing WARNING: atoms too close: (T0367)Y27.CA and (T0367)S73.CA only 0.000 apart, marking (T0367)S73.CA as missing WARNING: atoms too close: (T0367)L26.CA and (T0367)S73.CA only 0.000 apart, marking (T0367)S73.CA as missing WARNING: atoms too close: (T0367)G25.CA and (T0367)S73.CA only 0.000 apart, marking (T0367)S73.CA as missing WARNING: atoms too close: (T0367)M24.CA and (T0367)S73.CA only 0.000 apart, marking (T0367)S73.CA as missing WARNING: atoms too close: (T0367)L72.CB and (T0367)S73.CB only 0.000 apart, marking (T0367)S73.CB as missing WARNING: atoms too close: (T0367)R29.CB and (T0367)S73.CB only 0.000 apart, marking (T0367)S73.CB as missing WARNING: atoms too close: (T0367)E28.CB and (T0367)S73.CB only 0.000 apart, marking (T0367)S73.CB as missing WARNING: atoms too close: (T0367)Y27.CB and (T0367)S73.CB only 0.000 apart, marking (T0367)S73.CB as missing WARNING: atoms too close: (T0367)L26.CB and (T0367)S73.CB only 0.000 apart, marking (T0367)S73.CB as missing WARNING: atoms too close: (T0367)M24.CB and (T0367)S73.CB only 0.000 apart, marking (T0367)S73.CB as missing WARNING: atoms too close: (T0367)L72.O and (T0367)S73.O only 0.000 apart, marking (T0367)S73.O as missing WARNING: atoms too close: (T0367)R29.O and (T0367)S73.O only 0.000 apart, marking (T0367)S73.O as missing WARNING: atoms too close: (T0367)E28.O and (T0367)S73.O only 0.000 apart, marking (T0367)S73.O as missing WARNING: atoms too close: (T0367)Y27.O and (T0367)S73.O only 0.000 apart, marking (T0367)S73.O as missing WARNING: atoms too close: (T0367)L26.O and (T0367)S73.O only 0.000 apart, marking (T0367)S73.O as missing WARNING: atoms too close: (T0367)G25.O and (T0367)S73.O only 0.000 apart, marking (T0367)S73.O as missing WARNING: atoms too close: (T0367)M24.O and (T0367)S73.O only 0.000 apart, marking (T0367)S73.O as missing WARNING: atoms too close: (T0367)L72.C and (T0367)S73.C only 0.000 apart, marking (T0367)S73.C as missing WARNING: atoms too close: (T0367)R29.C and (T0367)S73.C only 0.000 apart, marking (T0367)S73.C as missing WARNING: atoms too close: (T0367)E28.C and (T0367)S73.C only 0.000 apart, marking (T0367)S73.C as missing WARNING: atoms too close: (T0367)Y27.C and (T0367)S73.C only 0.000 apart, marking (T0367)S73.C as missing WARNING: atoms too close: (T0367)L26.C and (T0367)S73.C only 0.000 apart, marking (T0367)S73.C as missing WARNING: atoms too close: (T0367)G25.C and (T0367)S73.C only 0.000 apart, marking (T0367)S73.C as missing WARNING: atoms too close: (T0367)M24.C and (T0367)S73.C only 0.000 apart, marking (T0367)S73.C as missing WARNING: atoms too close: (T0367)S73.N and (T0367)D74.N only 0.000 apart, marking (T0367)S73.N as missing WARNING: atoms too close: (T0367)L72.N and (T0367)D74.N only 0.000 apart, marking (T0367)L72.N as missing WARNING: atoms too close: (T0367)R29.N and (T0367)D74.N only 0.000 apart, marking (T0367)R29.N as missing WARNING: atoms too close: (T0367)E28.N and (T0367)D74.N only 0.000 apart, marking (T0367)E28.N as missing WARNING: atoms too close: (T0367)Y27.N and (T0367)D74.N only 0.000 apart, marking (T0367)Y27.N as missing WARNING: atoms too close: (T0367)L26.N and (T0367)D74.N only 0.000 apart, marking (T0367)L26.N as missing WARNING: atoms too close: (T0367)G25.N and (T0367)D74.N only 0.000 apart, marking (T0367)G25.N as missing WARNING: atoms too close: (T0367)M24.N and (T0367)D74.N only 0.000 apart, marking (T0367)D74.N as missing WARNING: atoms too close: (T0367)S73.CA and (T0367)D74.CA only 0.000 apart, marking (T0367)D74.CA as missing WARNING: atoms too close: (T0367)L72.CA and (T0367)D74.CA only 0.000 apart, marking (T0367)D74.CA as missing WARNING: atoms too close: (T0367)R29.CA and (T0367)D74.CA only 0.000 apart, marking (T0367)D74.CA as missing WARNING: atoms too close: (T0367)E28.CA and (T0367)D74.CA only 0.000 apart, marking (T0367)D74.CA as missing WARNING: atoms too close: (T0367)Y27.CA and (T0367)D74.CA only 0.000 apart, marking (T0367)D74.CA as missing WARNING: atoms too close: (T0367)L26.CA and (T0367)D74.CA only 0.000 apart, marking (T0367)D74.CA as missing WARNING: atoms too close: (T0367)G25.CA and (T0367)D74.CA only 0.000 apart, marking (T0367)D74.CA as missing WARNING: atoms too close: (T0367)M24.CA and (T0367)D74.CA only 0.000 apart, marking (T0367)D74.CA as missing WARNING: atoms too close: (T0367)S73.CB and (T0367)D74.CB only 0.000 apart, marking (T0367)D74.CB as missing WARNING: atoms too close: (T0367)L72.CB and (T0367)D74.CB only 0.000 apart, marking (T0367)D74.CB as missing WARNING: atoms too close: (T0367)R29.CB and (T0367)D74.CB only 0.000 apart, marking (T0367)D74.CB as missing WARNING: atoms too close: (T0367)E28.CB and (T0367)D74.CB only 0.000 apart, marking (T0367)D74.CB as missing WARNING: atoms too close: (T0367)Y27.CB and (T0367)D74.CB only 0.000 apart, marking (T0367)D74.CB as missing WARNING: atoms too close: (T0367)L26.CB and (T0367)D74.CB only 0.000 apart, marking (T0367)D74.CB as missing WARNING: atoms too close: (T0367)M24.CB and (T0367)D74.CB only 0.000 apart, marking (T0367)D74.CB as missing WARNING: atoms too close: (T0367)S73.O and (T0367)D74.O only 0.000 apart, marking (T0367)D74.O as missing WARNING: atoms too close: (T0367)L72.O and (T0367)D74.O only 0.000 apart, marking (T0367)D74.O as missing WARNING: atoms too close: (T0367)R29.O and (T0367)D74.O only 0.000 apart, marking (T0367)D74.O as missing WARNING: atoms too close: (T0367)E28.O and (T0367)D74.O only 0.000 apart, marking (T0367)D74.O as missing WARNING: atoms too close: (T0367)Y27.O and (T0367)D74.O only 0.000 apart, marking (T0367)D74.O as missing WARNING: atoms too close: (T0367)L26.O and (T0367)D74.O only 0.000 apart, marking (T0367)D74.O as missing WARNING: atoms too close: (T0367)G25.O and (T0367)D74.O only 0.000 apart, marking (T0367)D74.O as missing WARNING: atoms too close: (T0367)M24.O and (T0367)D74.O only 0.000 apart, marking (T0367)D74.O as missing WARNING: atoms too close: (T0367)S73.C and (T0367)D74.C only 0.000 apart, marking (T0367)D74.C as missing WARNING: atoms too close: (T0367)L72.C and (T0367)D74.C only 0.000 apart, marking (T0367)D74.C as missing WARNING: atoms too close: (T0367)R29.C and (T0367)D74.C only 0.000 apart, marking (T0367)D74.C as missing WARNING: atoms too close: (T0367)E28.C and (T0367)D74.C only 0.000 apart, marking (T0367)D74.C as missing WARNING: atoms too close: (T0367)Y27.C and (T0367)D74.C only 0.000 apart, marking (T0367)D74.C as missing WARNING: atoms too close: (T0367)L26.C and (T0367)D74.C only 0.000 apart, marking (T0367)D74.C as missing WARNING: atoms too close: (T0367)G25.C and (T0367)D74.C only 0.000 apart, marking (T0367)D74.C as missing WARNING: atoms too close: (T0367)M24.C and (T0367)D74.C only 0.000 apart, marking (T0367)D74.C as missing WARNING: atoms too close: (T0367)D74.N and (T0367)D75.N only 0.000 apart, marking (T0367)D74.N as missing WARNING: atoms too close: (T0367)S73.N and (T0367)D75.N only 0.000 apart, marking (T0367)S73.N as missing WARNING: atoms too close: (T0367)L72.N and (T0367)D75.N only 0.000 apart, marking (T0367)L72.N as missing WARNING: atoms too close: (T0367)R29.N and (T0367)D75.N only 0.000 apart, marking (T0367)R29.N as missing WARNING: atoms too close: (T0367)E28.N and (T0367)D75.N only 0.000 apart, marking (T0367)E28.N as missing WARNING: atoms too close: (T0367)Y27.N and (T0367)D75.N only 0.000 apart, marking (T0367)Y27.N as missing WARNING: atoms too close: (T0367)L26.N and (T0367)D75.N only 0.000 apart, marking (T0367)L26.N as missing WARNING: atoms too close: (T0367)G25.N and (T0367)D75.N only 0.000 apart, marking (T0367)G25.N as missing WARNING: atoms too close: (T0367)M24.N and (T0367)D75.N only 0.000 apart, marking (T0367)D75.N as missing WARNING: atoms too close: (T0367)D74.CA and (T0367)D75.CA only 0.000 apart, marking (T0367)D75.CA as missing WARNING: atoms too close: (T0367)S73.CA and (T0367)D75.CA only 0.000 apart, marking (T0367)D75.CA as missing WARNING: atoms too close: (T0367)L72.CA and (T0367)D75.CA only 0.000 apart, marking (T0367)D75.CA as missing WARNING: atoms too close: (T0367)R29.CA and (T0367)D75.CA only 0.000 apart, marking (T0367)D75.CA as missing WARNING: atoms too close: (T0367)E28.CA and (T0367)D75.CA only 0.000 apart, marking (T0367)D75.CA as missing WARNING: atoms too close: (T0367)Y27.CA and (T0367)D75.CA only 0.000 apart, marking (T0367)D75.CA as missing WARNING: atoms too close: (T0367)L26.CA and (T0367)D75.CA only 0.000 apart, marking (T0367)D75.CA as missing WARNING: atoms too close: (T0367)G25.CA and (T0367)D75.CA only 0.000 apart, marking (T0367)D75.CA as missing WARNING: atoms too close: (T0367)M24.CA and (T0367)D75.CA only 0.000 apart, marking (T0367)D75.CA as missing WARNING: atoms too close: (T0367)D74.CB and (T0367)D75.CB only 0.000 apart, marking (T0367)D75.CB as missing WARNING: atoms too close: (T0367)S73.CB and (T0367)D75.CB only 0.000 apart, marking (T0367)D75.CB as missing WARNING: atoms too close: (T0367)L72.CB and (T0367)D75.CB only 0.000 apart, marking (T0367)D75.CB as missing WARNING: atoms too close: (T0367)R29.CB and (T0367)D75.CB only 0.000 apart, marking (T0367)D75.CB as missing WARNING: atoms too close: (T0367)E28.CB and (T0367)D75.CB only 0.000 apart, marking (T0367)D75.CB as missing WARNING: atoms too close: (T0367)Y27.CB and (T0367)D75.CB only 0.000 apart, marking (T0367)D75.CB as missing WARNING: atoms too close: (T0367)L26.CB and (T0367)D75.CB only 0.000 apart, marking (T0367)D75.CB as missing WARNING: atoms too close: (T0367)M24.CB and (T0367)D75.CB only 0.000 apart, marking (T0367)D75.CB as missing WARNING: atoms too close: (T0367)D74.O and (T0367)D75.O only 0.000 apart, marking (T0367)D75.O as missing WARNING: atoms too close: (T0367)S73.O and (T0367)D75.O only 0.000 apart, marking (T0367)D75.O as missing WARNING: atoms too close: (T0367)L72.O and (T0367)D75.O only 0.000 apart, marking (T0367)D75.O as missing WARNING: atoms too close: (T0367)R29.O and (T0367)D75.O only 0.000 apart, marking (T0367)D75.O as missing WARNING: atoms too close: (T0367)E28.O and (T0367)D75.O only 0.000 apart, marking (T0367)D75.O as missing WARNING: atoms too close: (T0367)Y27.O and (T0367)D75.O only 0.000 apart, marking (T0367)D75.O as missing WARNING: atoms too close: (T0367)L26.O and (T0367)D75.O only 0.000 apart, marking (T0367)D75.O as missing WARNING: atoms too close: (T0367)G25.O and (T0367)D75.O only 0.000 apart, marking (T0367)D75.O as missing WARNING: atoms too close: (T0367)M24.O and (T0367)D75.O only 0.000 apart, marking (T0367)D75.O as missing WARNING: atoms too close: (T0367)D74.C and (T0367)D75.C only 0.000 apart, marking (T0367)D75.C as missing WARNING: atoms too close: (T0367)S73.C and (T0367)D75.C only 0.000 apart, marking (T0367)D75.C as missing WARNING: atoms too close: (T0367)L72.C and (T0367)D75.C only 0.000 apart, marking (T0367)D75.C as missing WARNING: atoms too close: (T0367)R29.C and (T0367)D75.C only 0.000 apart, marking (T0367)D75.C as missing WARNING: atoms too close: (T0367)E28.C and (T0367)D75.C only 0.000 apart, marking (T0367)D75.C as missing WARNING: atoms too close: (T0367)Y27.C and (T0367)D75.C only 0.000 apart, marking (T0367)D75.C as missing WARNING: atoms too close: (T0367)L26.C and (T0367)D75.C only 0.000 apart, marking (T0367)D75.C as missing WARNING: atoms too close: (T0367)G25.C and (T0367)D75.C only 0.000 apart, marking (T0367)D75.C as missing WARNING: atoms too close: (T0367)M24.C and (T0367)D75.C only 0.000 apart, marking (T0367)D75.C as missing WARNING: atoms too close: (T0367)D75.N and (T0367)D76.N only 0.000 apart, marking (T0367)D75.N as missing WARNING: atoms too close: (T0367)D74.N and (T0367)D76.N only 0.000 apart, marking (T0367)D74.N as missing WARNING: atoms too close: (T0367)S73.N and (T0367)D76.N only 0.000 apart, marking (T0367)S73.N as missing WARNING: atoms too close: (T0367)L72.N and (T0367)D76.N only 0.000 apart, marking (T0367)L72.N as missing WARNING: atoms too close: (T0367)R29.N and (T0367)D76.N only 0.000 apart, marking (T0367)R29.N as missing WARNING: atoms too close: (T0367)E28.N and (T0367)D76.N only 0.000 apart, marking (T0367)E28.N as missing WARNING: atoms too close: (T0367)Y27.N and (T0367)D76.N only 0.000 apart, marking (T0367)Y27.N as missing WARNING: atoms too close: (T0367)L26.N and (T0367)D76.N only 0.000 apart, marking (T0367)L26.N as missing WARNING: atoms too close: (T0367)G25.N and (T0367)D76.N only 0.000 apart, marking (T0367)G25.N as missing WARNING: atoms too close: (T0367)M24.N and (T0367)D76.N only 0.000 apart, marking (T0367)D76.N as missing WARNING: atoms too close: (T0367)D75.CA and (T0367)D76.CA only 0.000 apart, marking (T0367)D76.CA as missing WARNING: atoms too close: (T0367)D74.CA and (T0367)D76.CA only 0.000 apart, marking (T0367)D76.CA as missing WARNING: atoms too close: (T0367)S73.CA and (T0367)D76.CA only 0.000 apart, marking (T0367)D76.CA as missing WARNING: atoms too close: (T0367)L72.CA and (T0367)D76.CA only 0.000 apart, marking (T0367)D76.CA as missing WARNING: atoms too close: (T0367)R29.CA and (T0367)D76.CA only 0.000 apart, marking (T0367)D76.CA as missing WARNING: atoms too close: (T0367)E28.CA and (T0367)D76.CA only 0.000 apart, marking (T0367)D76.CA as missing WARNING: atoms too close: (T0367)Y27.CA and (T0367)D76.CA only 0.000 apart, marking (T0367)D76.CA as missing WARNING: atoms too close: (T0367)L26.CA and (T0367)D76.CA only 0.000 apart, marking (T0367)D76.CA as missing WARNING: atoms too close: (T0367)G25.CA and (T0367)D76.CA only 0.000 apart, marking (T0367)D76.CA as missing WARNING: atoms too close: (T0367)M24.CA and (T0367)D76.CA only 0.000 apart, marking (T0367)D76.CA as missing WARNING: atoms too close: (T0367)D75.CB and (T0367)D76.CB only 0.000 apart, marking (T0367)D76.CB as missing WARNING: atoms too close: (T0367)D74.CB and (T0367)D76.CB only 0.000 apart, marking (T0367)D76.CB as missing WARNING: atoms too close: (T0367)S73.CB and (T0367)D76.CB only 0.000 apart, marking (T0367)D76.CB as missing WARNING: atoms too close: (T0367)L72.CB and (T0367)D76.CB only 0.000 apart, marking (T0367)D76.CB as missing WARNING: atoms too close: (T0367)R29.CB and (T0367)D76.CB only 0.000 apart, marking (T0367)D76.CB as missing WARNING: atoms too close: (T0367)E28.CB and (T0367)D76.CB only 0.000 apart, marking (T0367)D76.CB as missing WARNING: atoms too close: (T0367)Y27.CB and (T0367)D76.CB only 0.000 apart, marking (T0367)D76.CB as missing WARNING: atoms too close: (T0367)L26.CB and (T0367)D76.CB only 0.000 apart, marking (T0367)D76.CB as missing WARNING: atoms too close: (T0367)M24.CB and (T0367)D76.CB only 0.000 apart, marking (T0367)D76.CB as missing WARNING: atoms too close: (T0367)D75.O and (T0367)D76.O only 0.000 apart, marking (T0367)D76.O as missing WARNING: atoms too close: (T0367)D74.O and (T0367)D76.O only 0.000 apart, marking (T0367)D76.O as missing WARNING: atoms too close: (T0367)S73.O and (T0367)D76.O only 0.000 apart, marking (T0367)D76.O as missing WARNING: atoms too close: (T0367)L72.O and (T0367)D76.O only 0.000 apart, marking (T0367)D76.O as missing WARNING: atoms too close: (T0367)R29.O and (T0367)D76.O only 0.000 apart, marking (T0367)D76.O as missing WARNING: atoms too close: (T0367)E28.O and (T0367)D76.O only 0.000 apart, marking (T0367)D76.O as missing WARNING: atoms too close: (T0367)Y27.O and (T0367)D76.O only 0.000 apart, marking (T0367)D76.O as missing WARNING: atoms too close: (T0367)L26.O and (T0367)D76.O only 0.000 apart, marking (T0367)D76.O as missing WARNING: atoms too close: (T0367)G25.O and (T0367)D76.O only 0.000 apart, marking (T0367)D76.O as missing WARNING: atoms too close: (T0367)M24.O and (T0367)D76.O only 0.000 apart, marking (T0367)D76.O as missing WARNING: atoms too close: (T0367)D75.C and (T0367)D76.C only 0.000 apart, marking (T0367)D76.C as missing WARNING: atoms too close: (T0367)D74.C and (T0367)D76.C only 0.000 apart, marking (T0367)D76.C as missing WARNING: atoms too close: (T0367)S73.C and (T0367)D76.C only 0.000 apart, marking (T0367)D76.C as missing WARNING: atoms too close: (T0367)L72.C and (T0367)D76.C only 0.000 apart, marking (T0367)D76.C as missing WARNING: atoms too close: (T0367)R29.C and (T0367)D76.C only 0.000 apart, marking (T0367)D76.C as missing WARNING: atoms too close: (T0367)E28.C and (T0367)D76.C only 0.000 apart, marking (T0367)D76.C as missing WARNING: atoms too close: (T0367)Y27.C and (T0367)D76.C only 0.000 apart, marking (T0367)D76.C as missing WARNING: atoms too close: (T0367)L26.C and (T0367)D76.C only 0.000 apart, marking (T0367)D76.C as missing WARNING: atoms too close: (T0367)G25.C and (T0367)D76.C only 0.000 apart, marking (T0367)D76.C as missing WARNING: atoms too close: (T0367)M24.C and (T0367)D76.C only 0.000 apart, marking (T0367)D76.C as missing WARNING: atoms too close: (T0367)D76.N and (T0367)C77.N only 0.000 apart, marking (T0367)D76.N as missing WARNING: atoms too close: (T0367)D75.N and (T0367)C77.N only 0.000 apart, marking (T0367)D75.N as missing WARNING: atoms too close: (T0367)D74.N and (T0367)C77.N only 0.000 apart, marking (T0367)D74.N as missing WARNING: atoms too close: (T0367)S73.N and (T0367)C77.N only 0.000 apart, marking (T0367)S73.N as missing WARNING: atoms too close: (T0367)L72.N and (T0367)C77.N only 0.000 apart, marking (T0367)L72.N as missing WARNING: atoms too close: (T0367)R29.N and (T0367)C77.N only 0.000 apart, marking (T0367)R29.N as missing WARNING: atoms too close: (T0367)E28.N and (T0367)C77.N only 0.000 apart, marking (T0367)E28.N as missing WARNING: atoms too close: (T0367)Y27.N and (T0367)C77.N only 0.000 apart, marking (T0367)Y27.N as missing WARNING: atoms too close: (T0367)L26.N and (T0367)C77.N only 0.000 apart, marking (T0367)L26.N as missing WARNING: atoms too close: (T0367)G25.N and (T0367)C77.N only 0.000 apart, marking (T0367)G25.N as missing WARNING: atoms too close: (T0367)M24.N and (T0367)C77.N only 0.000 apart, marking (T0367)C77.N as missing WARNING: atoms too close: (T0367)D76.CA and (T0367)C77.CA only 0.000 apart, marking (T0367)C77.CA as missing WARNING: atoms too close: (T0367)D75.CA and (T0367)C77.CA only 0.000 apart, marking (T0367)C77.CA as missing WARNING: atoms too close: (T0367)D74.CA and (T0367)C77.CA only 0.000 apart, marking (T0367)C77.CA as missing WARNING: atoms too close: (T0367)S73.CA and (T0367)C77.CA only 0.000 apart, marking (T0367)C77.CA as missing WARNING: atoms too close: (T0367)L72.CA and (T0367)C77.CA only 0.000 apart, marking (T0367)C77.CA as missing WARNING: atoms too close: (T0367)R29.CA and (T0367)C77.CA only 0.000 apart, marking (T0367)C77.CA as missing WARNING: atoms too close: (T0367)E28.CA and (T0367)C77.CA only 0.000 apart, marking (T0367)C77.CA as missing WARNING: atoms too close: (T0367)Y27.CA and (T0367)C77.CA only 0.000 apart, marking (T0367)C77.CA as missing WARNING: atoms too close: (T0367)L26.CA and (T0367)C77.CA only 0.000 apart, marking (T0367)C77.CA as missing WARNING: atoms too close: (T0367)G25.CA and (T0367)C77.CA only 0.000 apart, marking (T0367)C77.CA as missing WARNING: atoms too close: (T0367)M24.CA and (T0367)C77.CA only 0.000 apart, marking (T0367)C77.CA as missing WARNING: atoms too close: (T0367)D76.CB and (T0367)C77.CB only 0.000 apart, marking (T0367)C77.CB as missing WARNING: atoms too close: (T0367)D75.CB and (T0367)C77.CB only 0.000 apart, marking (T0367)C77.CB as missing WARNING: atoms too close: (T0367)D74.CB and (T0367)C77.CB only 0.000 apart, marking (T0367)C77.CB as missing WARNING: atoms too close: (T0367)S73.CB and (T0367)C77.CB only 0.000 apart, marking (T0367)C77.CB as missing WARNING: atoms too close: (T0367)L72.CB and (T0367)C77.CB only 0.000 apart, marking (T0367)C77.CB as missing WARNING: atoms too close: (T0367)R29.CB and (T0367)C77.CB only 0.000 apart, marking (T0367)C77.CB as missing WARNING: atoms too close: (T0367)E28.CB and (T0367)C77.CB only 0.000 apart, marking (T0367)C77.CB as missing WARNING: atoms too close: (T0367)Y27.CB and (T0367)C77.CB only 0.000 apart, marking (T0367)C77.CB as missing WARNING: atoms too close: (T0367)L26.CB and (T0367)C77.CB only 0.000 apart, marking (T0367)C77.CB as missing WARNING: atoms too close: (T0367)M24.CB and (T0367)C77.CB only 0.000 apart, marking (T0367)C77.CB as missing WARNING: atoms too close: (T0367)D76.O and (T0367)C77.O only 0.000 apart, marking (T0367)C77.O as missing WARNING: atoms too close: (T0367)D75.O and (T0367)C77.O only 0.000 apart, marking (T0367)C77.O as missing WARNING: atoms too close: (T0367)D74.O and (T0367)C77.O only 0.000 apart, marking (T0367)C77.O as missing WARNING: atoms too close: (T0367)S73.O and (T0367)C77.O only 0.000 apart, marking (T0367)C77.O as missing WARNING: atoms too close: (T0367)L72.O and (T0367)C77.O only 0.000 apart, marking (T0367)C77.O as missing WARNING: atoms too close: (T0367)R29.O and (T0367)C77.O only 0.000 apart, marking (T0367)C77.O as missing WARNING: atoms too close: (T0367)E28.O and (T0367)C77.O only 0.000 apart, marking (T0367)C77.O as missing WARNING: atoms too close: (T0367)Y27.O and (T0367)C77.O only 0.000 apart, marking (T0367)C77.O as missing WARNING: atoms too close: (T0367)L26.O and (T0367)C77.O only 0.000 apart, marking (T0367)C77.O as missing WARNING: atoms too close: (T0367)G25.O and (T0367)C77.O only 0.000 apart, marking (T0367)C77.O as missing WARNING: atoms too close: (T0367)M24.O and (T0367)C77.O only 0.000 apart, marking (T0367)C77.O as missing WARNING: atoms too close: (T0367)D76.C and (T0367)C77.C only 0.000 apart, marking (T0367)C77.C as missing WARNING: atoms too close: (T0367)D75.C and (T0367)C77.C only 0.000 apart, marking (T0367)C77.C as missing WARNING: atoms too close: (T0367)D74.C and (T0367)C77.C only 0.000 apart, marking (T0367)C77.C as missing WARNING: atoms too close: (T0367)S73.C and (T0367)C77.C only 0.000 apart, marking (T0367)C77.C as missing WARNING: atoms too close: (T0367)L72.C and (T0367)C77.C only 0.000 apart, marking (T0367)C77.C as missing WARNING: atoms too close: (T0367)R29.C and (T0367)C77.C only 0.000 apart, marking (T0367)C77.C as missing WARNING: atoms too close: (T0367)E28.C and (T0367)C77.C only 0.000 apart, marking (T0367)C77.C as missing WARNING: atoms too close: (T0367)Y27.C and (T0367)C77.C only 0.000 apart, marking (T0367)C77.C as missing WARNING: atoms too close: (T0367)L26.C and (T0367)C77.C only 0.000 apart, marking (T0367)C77.C as missing WARNING: atoms too close: (T0367)G25.C and (T0367)C77.C only 0.000 apart, marking (T0367)C77.C as missing WARNING: atoms too close: (T0367)M24.C and (T0367)C77.C only 0.000 apart, marking (T0367)C77.C as missing WARNING: atoms too close: (T0367)C77.N and (T0367)S78.N only 0.000 apart, marking (T0367)C77.N as missing WARNING: atoms too close: (T0367)D76.N and (T0367)S78.N only 0.000 apart, marking (T0367)D76.N as missing WARNING: atoms too close: (T0367)D75.N and (T0367)S78.N only 0.000 apart, marking (T0367)D75.N as missing WARNING: atoms too close: (T0367)D74.N and (T0367)S78.N only 0.000 apart, marking (T0367)D74.N as missing WARNING: atoms too close: (T0367)S73.N and (T0367)S78.N only 0.000 apart, marking (T0367)S73.N as missing WARNING: atoms too close: (T0367)L72.N and (T0367)S78.N only 0.000 apart, marking (T0367)L72.N as missing WARNING: atoms too close: (T0367)R29.N and (T0367)S78.N only 0.000 apart, marking (T0367)R29.N as missing WARNING: atoms too close: (T0367)E28.N and (T0367)S78.N only 0.000 apart, marking (T0367)E28.N as missing WARNING: atoms too close: (T0367)Y27.N and (T0367)S78.N only 0.000 apart, marking (T0367)Y27.N as missing WARNING: atoms too close: (T0367)L26.N and (T0367)S78.N only 0.000 apart, marking (T0367)L26.N as missing WARNING: atoms too close: (T0367)G25.N and (T0367)S78.N only 0.000 apart, marking (T0367)G25.N as missing WARNING: atoms too close: (T0367)M24.N and (T0367)S78.N only 0.000 apart, marking (T0367)S78.N as missing WARNING: atoms too close: (T0367)C77.CA and (T0367)S78.CA only 0.000 apart, marking (T0367)S78.CA as missing WARNING: atoms too close: (T0367)D76.CA and (T0367)S78.CA only 0.000 apart, marking (T0367)S78.CA as missing WARNING: atoms too close: (T0367)D75.CA and (T0367)S78.CA only 0.000 apart, marking (T0367)S78.CA as missing WARNING: atoms too close: (T0367)D74.CA and (T0367)S78.CA only 0.000 apart, marking (T0367)S78.CA as missing WARNING: atoms too close: (T0367)S73.CA and (T0367)S78.CA only 0.000 apart, marking (T0367)S78.CA as missing WARNING: atoms too close: (T0367)L72.CA and (T0367)S78.CA only 0.000 apart, marking (T0367)S78.CA as missing WARNING: atoms too close: (T0367)R29.CA and (T0367)S78.CA only 0.000 apart, marking (T0367)S78.CA as missing WARNING: atoms too close: (T0367)E28.CA and (T0367)S78.CA only 0.000 apart, marking (T0367)S78.CA as missing WARNING: atoms too close: (T0367)Y27.CA and (T0367)S78.CA only 0.000 apart, marking (T0367)S78.CA as missing WARNING: atoms too close: (T0367)L26.CA and (T0367)S78.CA only 0.000 apart, marking (T0367)S78.CA as missing WARNING: atoms too close: (T0367)G25.CA and (T0367)S78.CA only 0.000 apart, marking (T0367)S78.CA as missing WARNING: atoms too close: (T0367)M24.CA and (T0367)S78.CA only 0.000 apart, marking (T0367)S78.CA as missing WARNING: atoms too close: (T0367)C77.CB and (T0367)S78.CB only 0.000 apart, marking (T0367)S78.CB as missing WARNING: atoms too close: (T0367)D76.CB and (T0367)S78.CB only 0.000 apart, marking (T0367)S78.CB as missing WARNING: atoms too close: (T0367)D75.CB and (T0367)S78.CB only 0.000 apart, marking (T0367)S78.CB as missing WARNING: atoms too close: (T0367)D74.CB and (T0367)S78.CB only 0.000 apart, marking (T0367)S78.CB as missing WARNING: atoms too close: (T0367)S73.CB and (T0367)S78.CB only 0.000 apart, marking (T0367)S78.CB as missing WARNING: atoms too close: (T0367)L72.CB and (T0367)S78.CB only 0.000 apart, marking (T0367)S78.CB as missing WARNING: atoms too close: (T0367)R29.CB and (T0367)S78.CB only 0.000 apart, marking (T0367)S78.CB as missing WARNING: atoms too close: (T0367)E28.CB and (T0367)S78.CB only 0.000 apart, marking (T0367)S78.CB as missing WARNING: atoms too close: (T0367)Y27.CB and (T0367)S78.CB only 0.000 apart, marking (T0367)S78.CB as missing WARNING: atoms too close: (T0367)L26.CB and (T0367)S78.CB only 0.000 apart, marking (T0367)S78.CB as missing WARNING: atoms too close: (T0367)M24.CB and (T0367)S78.CB only 0.000 apart, marking (T0367)S78.CB as missing WARNING: atoms too close: (T0367)C77.O and (T0367)S78.O only 0.000 apart, marking (T0367)S78.O as missing WARNING: atoms too close: (T0367)D76.O and (T0367)S78.O only 0.000 apart, marking (T0367)S78.O as missing WARNING: atoms too close: (T0367)D75.O and (T0367)S78.O only 0.000 apart, marking (T0367)S78.O as missing WARNING: atoms too close: (T0367)D74.O and (T0367)S78.O only 0.000 apart, marking (T0367)S78.O as missing WARNING: atoms too close: (T0367)S73.O and (T0367)S78.O only 0.000 apart, marking (T0367)S78.O as missing WARNING: atoms too close: (T0367)L72.O and (T0367)S78.O only 0.000 apart, marking (T0367)S78.O as missing WARNING: atoms too close: (T0367)R29.O and (T0367)S78.O only 0.000 apart, marking (T0367)S78.O as missing WARNING: atoms too close: (T0367)E28.O and (T0367)S78.O only 0.000 apart, marking (T0367)S78.O as missing WARNING: atoms too close: (T0367)Y27.O and (T0367)S78.O only 0.000 apart, marking (T0367)S78.O as missing WARNING: atoms too close: (T0367)L26.O and (T0367)S78.O only 0.000 apart, marking (T0367)S78.O as missing WARNING: atoms too close: (T0367)G25.O and (T0367)S78.O only 0.000 apart, marking (T0367)S78.O as missing WARNING: atoms too close: (T0367)M24.O and (T0367)S78.O only 0.000 apart, marking (T0367)S78.O as missing WARNING: atoms too close: (T0367)C77.C and (T0367)S78.C only 0.000 apart, marking (T0367)S78.C as missing WARNING: atoms too close: (T0367)D76.C and (T0367)S78.C only 0.000 apart, marking (T0367)S78.C as missing WARNING: atoms too close: (T0367)D75.C and (T0367)S78.C only 0.000 apart, marking (T0367)S78.C as missing WARNING: atoms too close: (T0367)D74.C and (T0367)S78.C only 0.000 apart, marking (T0367)S78.C as missing WARNING: atoms too close: (T0367)S73.C and (T0367)S78.C only 0.000 apart, marking (T0367)S78.C as missing WARNING: atoms too close: (T0367)L72.C and (T0367)S78.C only 0.000 apart, marking (T0367)S78.C as missing WARNING: atoms too close: (T0367)R29.C and (T0367)S78.C only 0.000 apart, marking (T0367)S78.C as missing WARNING: atoms too close: (T0367)E28.C and (T0367)S78.C only 0.000 apart, marking (T0367)S78.C as missing WARNING: atoms too close: (T0367)Y27.C and (T0367)S78.C only 0.000 apart, marking (T0367)S78.C as missing WARNING: atoms too close: (T0367)L26.C and (T0367)S78.C only 0.000 apart, marking (T0367)S78.C as missing WARNING: atoms too close: (T0367)G25.C and (T0367)S78.C only 0.000 apart, marking (T0367)S78.C as missing WARNING: atoms too close: (T0367)M24.C and (T0367)S78.C only 0.000 apart, marking (T0367)S78.C as missing WARNING: atoms too close: (T0367)S78.N and (T0367)K79.N only 0.000 apart, marking (T0367)S78.N as missing WARNING: atoms too close: (T0367)C77.N and (T0367)K79.N only 0.000 apart, marking (T0367)C77.N as missing WARNING: atoms too close: (T0367)D76.N and (T0367)K79.N only 0.000 apart, marking (T0367)D76.N as missing WARNING: atoms too close: (T0367)D75.N and (T0367)K79.N only 0.000 apart, marking (T0367)D75.N as missing WARNING: atoms too close: (T0367)D74.N and (T0367)K79.N only 0.000 apart, marking (T0367)D74.N as missing WARNING: atoms too close: (T0367)S73.N and (T0367)K79.N only 0.000 apart, marking (T0367)S73.N as missing WARNING: atoms too close: (T0367)L72.N and (T0367)K79.N only 0.000 apart, marking (T0367)L72.N as missing WARNING: atoms too close: (T0367)R29.N and (T0367)K79.N only 0.000 apart, marking (T0367)R29.N as missing WARNING: atoms too close: (T0367)E28.N and (T0367)K79.N only 0.000 apart, marking (T0367)E28.N as missing WARNING: atoms too close: (T0367)Y27.N and (T0367)K79.N only 0.000 apart, marking (T0367)Y27.N as missing WARNING: atoms too close: (T0367)L26.N and (T0367)K79.N only 0.000 apart, marking (T0367)L26.N as missing WARNING: atoms too close: (T0367)G25.N and (T0367)K79.N only 0.000 apart, marking (T0367)G25.N as missing WARNING: atoms too close: (T0367)M24.N and (T0367)K79.N only 0.000 apart, marking (T0367)K79.N as missing WARNING: atoms too close: (T0367)S78.CA and (T0367)K79.CA only 0.000 apart, marking (T0367)K79.CA as missing WARNING: atoms too close: (T0367)C77.CA and (T0367)K79.CA only 0.000 apart, marking (T0367)K79.CA as missing WARNING: atoms too close: (T0367)D76.CA and (T0367)K79.CA only 0.000 apart, marking (T0367)K79.CA as missing WARNING: atoms too close: (T0367)D75.CA and (T0367)K79.CA only 0.000 apart, marking (T0367)K79.CA as missing WARNING: atoms too close: (T0367)D74.CA and (T0367)K79.CA only 0.000 apart, marking (T0367)K79.CA as missing WARNING: atoms too close: (T0367)S73.CA and (T0367)K79.CA only 0.000 apart, marking (T0367)K79.CA as missing WARNING: atoms too close: (T0367)L72.CA and (T0367)K79.CA only 0.000 apart, marking (T0367)K79.CA as missing WARNING: atoms too close: (T0367)R29.CA and (T0367)K79.CA only 0.000 apart, marking (T0367)K79.CA as missing WARNING: atoms too close: (T0367)E28.CA and (T0367)K79.CA only 0.000 apart, marking (T0367)K79.CA as missing WARNING: atoms too close: (T0367)Y27.CA and (T0367)K79.CA only 0.000 apart, marking (T0367)K79.CA as missing WARNING: atoms too close: (T0367)L26.CA and (T0367)K79.CA only 0.000 apart, marking (T0367)K79.CA as missing WARNING: atoms too close: (T0367)G25.CA and (T0367)K79.CA only 0.000 apart, marking (T0367)K79.CA as missing WARNING: atoms too close: (T0367)M24.CA and (T0367)K79.CA only 0.000 apart, marking (T0367)K79.CA as missing WARNING: atoms too close: (T0367)S78.CB and (T0367)K79.CB only 0.000 apart, marking (T0367)K79.CB as missing WARNING: atoms too close: (T0367)C77.CB and (T0367)K79.CB only 0.000 apart, marking (T0367)K79.CB as missing WARNING: atoms too close: (T0367)D76.CB and (T0367)K79.CB only 0.000 apart, marking (T0367)K79.CB as missing WARNING: atoms too close: (T0367)D75.CB and (T0367)K79.CB only 0.000 apart, marking (T0367)K79.CB as missing WARNING: atoms too close: (T0367)D74.CB and (T0367)K79.CB only 0.000 apart, marking (T0367)K79.CB as missing WARNING: atoms too close: (T0367)S73.CB and (T0367)K79.CB only 0.000 apart, marking (T0367)K79.CB as missing WARNING: atoms too close: (T0367)L72.CB and (T0367)K79.CB only 0.000 apart, marking (T0367)K79.CB as missing WARNING: atoms too close: (T0367)R29.CB and (T0367)K79.CB only 0.000 apart, marking (T0367)K79.CB as missing WARNING: atoms too close: (T0367)E28.CB and (T0367)K79.CB only 0.000 apart, marking (T0367)K79.CB as missing WARNING: atoms too close: (T0367)Y27.CB and (T0367)K79.CB only 0.000 apart, marking (T0367)K79.CB as missing WARNING: atoms too close: (T0367)L26.CB and (T0367)K79.CB only 0.000 apart, marking (T0367)K79.CB as missing WARNING: atoms too close: (T0367)M24.CB and (T0367)K79.CB only 0.000 apart, marking (T0367)K79.CB as missing WARNING: atoms too close: (T0367)S78.O and (T0367)K79.O only 0.000 apart, marking (T0367)K79.O as missing WARNING: atoms too close: (T0367)C77.O and (T0367)K79.O only 0.000 apart, marking (T0367)K79.O as missing WARNING: atoms too close: (T0367)D76.O and (T0367)K79.O only 0.000 apart, marking (T0367)K79.O as missing WARNING: atoms too close: (T0367)D75.O and (T0367)K79.O only 0.000 apart, marking (T0367)K79.O as missing WARNING: atoms too close: (T0367)D74.O and (T0367)K79.O only 0.000 apart, marking (T0367)K79.O as missing WARNING: atoms too close: (T0367)S73.O and (T0367)K79.O only 0.000 apart, marking (T0367)K79.O as missing WARNING: atoms too close: (T0367)L72.O and (T0367)K79.O only 0.000 apart, marking (T0367)K79.O as missing WARNING: atoms too close: (T0367)R29.O and (T0367)K79.O only 0.000 apart, marking (T0367)K79.O as missing WARNING: atoms too close: (T0367)E28.O and (T0367)K79.O only 0.000 apart, marking (T0367)K79.O as missing WARNING: atoms too close: (T0367)Y27.O and (T0367)K79.O only 0.000 apart, marking (T0367)K79.O as missing WARNING: atoms too close: (T0367)L26.O and (T0367)K79.O only 0.000 apart, marking (T0367)K79.O as missing WARNING: atoms too close: (T0367)G25.O and (T0367)K79.O only 0.000 apart, marking (T0367)K79.O as missing WARNING: atoms too close: (T0367)M24.O and (T0367)K79.O only 0.000 apart, marking (T0367)K79.O as missing WARNING: atoms too close: (T0367)S78.C and (T0367)K79.C only 0.000 apart, marking (T0367)K79.C as missing WARNING: atoms too close: (T0367)C77.C and (T0367)K79.C only 0.000 apart, marking (T0367)K79.C as missing WARNING: atoms too close: (T0367)D76.C and (T0367)K79.C only 0.000 apart, marking (T0367)K79.C as missing WARNING: atoms too close: (T0367)D75.C and (T0367)K79.C only 0.000 apart, marking (T0367)K79.C as missing WARNING: atoms too close: (T0367)D74.C and (T0367)K79.C only 0.000 apart, marking (T0367)K79.C as missing WARNING: atoms too close: (T0367)S73.C and (T0367)K79.C only 0.000 apart, marking (T0367)K79.C as missing WARNING: atoms too close: (T0367)L72.C and (T0367)K79.C only 0.000 apart, marking (T0367)K79.C as missing WARNING: atoms too close: (T0367)R29.C and (T0367)K79.C only 0.000 apart, marking (T0367)K79.C as missing WARNING: atoms too close: (T0367)E28.C and (T0367)K79.C only 0.000 apart, marking (T0367)K79.C as missing WARNING: atoms too close: (T0367)Y27.C and (T0367)K79.C only 0.000 apart, marking (T0367)K79.C as missing WARNING: atoms too close: (T0367)L26.C and (T0367)K79.C only 0.000 apart, marking (T0367)K79.C as missing WARNING: atoms too close: (T0367)G25.C and (T0367)K79.C only 0.000 apart, marking (T0367)K79.C as missing WARNING: atoms too close: (T0367)M24.C and (T0367)K79.C only 0.000 apart, marking (T0367)K79.C as missing WARNING: atoms too close: (T0367)K79.N and (T0367)L80.N only 0.000 apart, marking (T0367)K79.N as missing WARNING: atoms too close: (T0367)S78.N and (T0367)L80.N only 0.000 apart, marking (T0367)S78.N as missing WARNING: atoms too close: (T0367)C77.N and (T0367)L80.N only 0.000 apart, marking (T0367)C77.N as missing WARNING: atoms too close: (T0367)D76.N and (T0367)L80.N only 0.000 apart, marking (T0367)D76.N as missing WARNING: atoms too close: (T0367)D75.N and (T0367)L80.N only 0.000 apart, marking (T0367)D75.N as missing WARNING: atoms too close: (T0367)D74.N and (T0367)L80.N only 0.000 apart, marking (T0367)D74.N as missing WARNING: atoms too close: (T0367)S73.N and (T0367)L80.N only 0.000 apart, marking (T0367)S73.N as missing WARNING: atoms too close: (T0367)L72.N and (T0367)L80.N only 0.000 apart, marking (T0367)L72.N as missing WARNING: atoms too close: (T0367)R29.N and (T0367)L80.N only 0.000 apart, marking (T0367)R29.N as missing WARNING: atoms too close: (T0367)E28.N and (T0367)L80.N only 0.000 apart, marking (T0367)E28.N as missing WARNING: atoms too close: (T0367)Y27.N and (T0367)L80.N only 0.000 apart, marking (T0367)Y27.N as missing WARNING: atoms too close: (T0367)L26.N and (T0367)L80.N only 0.000 apart, marking (T0367)L26.N as missing WARNING: atoms too close: (T0367)G25.N and (T0367)L80.N only 0.000 apart, marking (T0367)G25.N as missing WARNING: atoms too close: (T0367)M24.N and (T0367)L80.N only 0.000 apart, marking (T0367)L80.N as missing WARNING: atoms too close: (T0367)K79.CA and (T0367)L80.CA only 0.000 apart, marking (T0367)L80.CA as missing WARNING: atoms too close: (T0367)S78.CA and (T0367)L80.CA only 0.000 apart, marking (T0367)L80.CA as missing WARNING: atoms too close: (T0367)C77.CA and (T0367)L80.CA only 0.000 apart, marking (T0367)L80.CA as missing WARNING: atoms too close: (T0367)D76.CA and (T0367)L80.CA only 0.000 apart, marking (T0367)L80.CA as missing WARNING: atoms too close: (T0367)D75.CA and (T0367)L80.CA only 0.000 apart, marking (T0367)L80.CA as missing WARNING: atoms too close: (T0367)D74.CA and (T0367)L80.CA only 0.000 apart, marking (T0367)L80.CA as missing WARNING: atoms too close: (T0367)S73.CA and (T0367)L80.CA only 0.000 apart, marking (T0367)L80.CA as missing WARNING: atoms too close: (T0367)L72.CA and (T0367)L80.CA only 0.000 apart, marking (T0367)L80.CA as missing WARNING: atoms too close: (T0367)R29.CA and (T0367)L80.CA only 0.000 apart, marking (T0367)L80.CA as missing WARNING: atoms too close: (T0367)E28.CA and (T0367)L80.CA only 0.000 apart, marking (T0367)L80.CA as missing WARNING: atoms too close: (T0367)Y27.CA and (T0367)L80.CA only 0.000 apart, marking (T0367)L80.CA as missing WARNING: atoms too close: (T0367)L26.CA and (T0367)L80.CA only 0.000 apart, marking (T0367)L80.CA as missing WARNING: atoms too close: (T0367)G25.CA and (T0367)L80.CA only 0.000 apart, marking (T0367)L80.CA as missing WARNING: atoms too close: (T0367)M24.CA and (T0367)L80.CA only 0.000 apart, marking (T0367)L80.CA as missing WARNING: atoms too close: (T0367)K79.CB and (T0367)L80.CB only 0.000 apart, marking (T0367)L80.CB as missing WARNING: atoms too close: (T0367)S78.CB and (T0367)L80.CB only 0.000 apart, marking (T0367)L80.CB as missing WARNING: atoms too close: (T0367)C77.CB and (T0367)L80.CB only 0.000 apart, marking (T0367)L80.CB as missing WARNING: atoms too close: (T0367)D76.CB and (T0367)L80.CB only 0.000 apart, marking (T0367)L80.CB as missing WARNING: atoms too close: (T0367)D75.CB and (T0367)L80.CB only 0.000 apart, marking (T0367)L80.CB as missing WARNING: atoms too close: (T0367)D74.CB and (T0367)L80.CB only 0.000 apart, marking (T0367)L80.CB as missing WARNING: atoms too close: (T0367)S73.CB and (T0367)L80.CB only 0.000 apart, marking (T0367)L80.CB as missing WARNING: atoms too close: (T0367)L72.CB and (T0367)L80.CB only 0.000 apart, marking (T0367)L80.CB as missing WARNING: atoms too close: (T0367)R29.CB and (T0367)L80.CB only 0.000 apart, marking (T0367)L80.CB as missing WARNING: atoms too close: (T0367)E28.CB and (T0367)L80.CB only 0.000 apart, marking (T0367)L80.CB as missing WARNING: atoms too close: (T0367)Y27.CB and (T0367)L80.CB only 0.000 apart, marking (T0367)L80.CB as missing WARNING: atoms too close: (T0367)L26.CB and (T0367)L80.CB only 0.000 apart, marking (T0367)L80.CB as missing WARNING: atoms too close: (T0367)M24.CB and (T0367)L80.CB only 0.000 apart, marking (T0367)L80.CB as missing WARNING: atoms too close: (T0367)K79.O and (T0367)L80.O only 0.000 apart, marking (T0367)L80.O as missing WARNING: atoms too close: (T0367)S78.O and (T0367)L80.O only 0.000 apart, marking (T0367)L80.O as missing WARNING: atoms too close: (T0367)C77.O and (T0367)L80.O only 0.000 apart, marking (T0367)L80.O as missing WARNING: atoms too close: (T0367)D76.O and (T0367)L80.O only 0.000 apart, marking (T0367)L80.O as missing WARNING: atoms too close: (T0367)D75.O and (T0367)L80.O only 0.000 apart, marking (T0367)L80.O as missing WARNING: atoms too close: (T0367)D74.O and (T0367)L80.O only 0.000 apart, marking (T0367)L80.O as missing WARNING: atoms too close: (T0367)S73.O and (T0367)L80.O only 0.000 apart, marking (T0367)L80.O as missing WARNING: atoms too close: (T0367)L72.O and (T0367)L80.O only 0.000 apart, marking (T0367)L80.O as missing WARNING: atoms too close: (T0367)R29.O and (T0367)L80.O only 0.000 apart, marking (T0367)L80.O as missing WARNING: atoms too close: (T0367)E28.O and (T0367)L80.O only 0.000 apart, marking (T0367)L80.O as missing WARNING: atoms too close: (T0367)Y27.O and (T0367)L80.O only 0.000 apart, marking (T0367)L80.O as missing WARNING: atoms too close: (T0367)L26.O and (T0367)L80.O only 0.000 apart, marking (T0367)L80.O as missing WARNING: atoms too close: (T0367)G25.O and (T0367)L80.O only 0.000 apart, marking (T0367)L80.O as missing WARNING: atoms too close: (T0367)M24.O and (T0367)L80.O only 0.000 apart, marking (T0367)L80.O as missing WARNING: atoms too close: (T0367)K79.C and (T0367)L80.C only 0.000 apart, marking (T0367)L80.C as missing WARNING: atoms too close: (T0367)S78.C and (T0367)L80.C only 0.000 apart, marking (T0367)L80.C as missing WARNING: atoms too close: (T0367)C77.C and (T0367)L80.C only 0.000 apart, marking (T0367)L80.C as missing WARNING: atoms too close: (T0367)D76.C and (T0367)L80.C only 0.000 apart, marking (T0367)L80.C as missing WARNING: atoms too close: (T0367)D75.C and (T0367)L80.C only 0.000 apart, marking (T0367)L80.C as missing WARNING: atoms too close: (T0367)D74.C and (T0367)L80.C only 0.000 apart, marking (T0367)L80.C as missing WARNING: atoms too close: (T0367)S73.C and (T0367)L80.C only 0.000 apart, marking (T0367)L80.C as missing WARNING: atoms too close: (T0367)L72.C and (T0367)L80.C only 0.000 apart, marking (T0367)L80.C as missing WARNING: atoms too close: (T0367)R29.C and (T0367)L80.C only 0.000 apart, marking (T0367)L80.C as missing WARNING: atoms too close: (T0367)E28.C and (T0367)L80.C only 0.000 apart, marking (T0367)L80.C as missing WARNING: atoms too close: (T0367)Y27.C and (T0367)L80.C only 0.000 apart, marking (T0367)L80.C as missing WARNING: atoms too close: (T0367)L26.C and (T0367)L80.C only 0.000 apart, marking (T0367)L80.C as missing WARNING: atoms too close: (T0367)G25.C and (T0367)L80.C only 0.000 apart, marking (T0367)L80.C as missing WARNING: atoms too close: (T0367)M24.C and (T0367)L80.C only 0.000 apart, marking (T0367)L80.C as missing WARNING: atoms too close: (T0367)L80.N and (T0367)S81.N only 0.000 apart, marking (T0367)L80.N as missing WARNING: atoms too close: (T0367)K79.N and (T0367)S81.N only 0.000 apart, marking (T0367)K79.N as missing WARNING: atoms too close: (T0367)S78.N and (T0367)S81.N only 0.000 apart, marking (T0367)S78.N as missing WARNING: atoms too close: (T0367)C77.N and (T0367)S81.N only 0.000 apart, marking (T0367)C77.N as missing WARNING: atoms too close: (T0367)D76.N and (T0367)S81.N only 0.000 apart, marking (T0367)D76.N as missing WARNING: atoms too close: (T0367)D75.N and (T0367)S81.N only 0.000 apart, marking (T0367)D75.N as missing WARNING: atoms too close: (T0367)D74.N and (T0367)S81.N only 0.000 apart, marking (T0367)D74.N as missing WARNING: atoms too close: (T0367)S73.N and (T0367)S81.N only 0.000 apart, marking (T0367)S73.N as missing WARNING: atoms too close: (T0367)L72.N and (T0367)S81.N only 0.000 apart, marking (T0367)L72.N as missing WARNING: atoms too close: (T0367)R29.N and (T0367)S81.N only 0.000 apart, marking (T0367)R29.N as missing WARNING: atoms too close: (T0367)E28.N and (T0367)S81.N only 0.000 apart, marking (T0367)E28.N as missing WARNING: atoms too close: (T0367)Y27.N and (T0367)S81.N only 0.000 apart, marking (T0367)Y27.N as missing WARNING: atoms too close: (T0367)L26.N and (T0367)S81.N only 0.000 apart, marking (T0367)L26.N as missing WARNING: atoms too close: (T0367)G25.N and (T0367)S81.N only 0.000 apart, marking (T0367)G25.N as missing WARNING: atoms too close: (T0367)M24.N and (T0367)S81.N only 0.000 apart, marking (T0367)S81.N as missing WARNING: atoms too close: (T0367)L80.CA and (T0367)S81.CA only 0.000 apart, marking (T0367)S81.CA as missing WARNING: atoms too close: (T0367)K79.CA and (T0367)S81.CA only 0.000 apart, marking (T0367)S81.CA as missing WARNING: atoms too close: (T0367)S78.CA and (T0367)S81.CA only 0.000 apart, marking (T0367)S81.CA as missing WARNING: atoms too close: (T0367)C77.CA and (T0367)S81.CA only 0.000 apart, marking (T0367)S81.CA as missing WARNING: atoms too close: (T0367)D76.CA and (T0367)S81.CA only 0.000 apart, marking (T0367)S81.CA as missing WARNING: atoms too close: (T0367)D75.CA and (T0367)S81.CA only 0.000 apart, marking (T0367)S81.CA as missing WARNING: atoms too close: (T0367)D74.CA and (T0367)S81.CA only 0.000 apart, marking (T0367)S81.CA as missing WARNING: atoms too close: (T0367)S73.CA and (T0367)S81.CA only 0.000 apart, marking (T0367)S81.CA as missing WARNING: atoms too close: (T0367)L72.CA and (T0367)S81.CA only 0.000 apart, marking (T0367)S81.CA as missing WARNING: atoms too close: (T0367)R29.CA and (T0367)S81.CA only 0.000 apart, marking (T0367)S81.CA as missing WARNING: atoms too close: (T0367)E28.CA and (T0367)S81.CA only 0.000 apart, marking (T0367)S81.CA as missing WARNING: atoms too close: (T0367)Y27.CA and (T0367)S81.CA only 0.000 apart, marking (T0367)S81.CA as missing WARNING: atoms too close: (T0367)L26.CA and (T0367)S81.CA only 0.000 apart, marking (T0367)S81.CA as missing WARNING: atoms too close: (T0367)G25.CA and (T0367)S81.CA only 0.000 apart, marking (T0367)S81.CA as missing WARNING: atoms too close: (T0367)M24.CA and (T0367)S81.CA only 0.000 apart, marking (T0367)S81.CA as missing WARNING: atoms too close: (T0367)L80.CB and (T0367)S81.CB only 0.000 apart, marking (T0367)S81.CB as missing WARNING: atoms too close: (T0367)K79.CB and (T0367)S81.CB only 0.000 apart, marking (T0367)S81.CB as missing WARNING: atoms too close: (T0367)S78.CB and (T0367)S81.CB only 0.000 apart, marking (T0367)S81.CB as missing WARNING: atoms too close: (T0367)C77.CB and (T0367)S81.CB only 0.000 apart, marking (T0367)S81.CB as missing WARNING: atoms too close: (T0367)D76.CB and (T0367)S81.CB only 0.000 apart, marking (T0367)S81.CB as missing WARNING: atoms too close: (T0367)D75.CB and (T0367)S81.CB only 0.000 apart, marking (T0367)S81.CB as missing WARNING: atoms too close: (T0367)D74.CB and (T0367)S81.CB only 0.000 apart, marking (T0367)S81.CB as missing WARNING: atoms too close: (T0367)S73.CB and (T0367)S81.CB only 0.000 apart, marking (T0367)S81.CB as missing WARNING: atoms too close: (T0367)L72.CB and (T0367)S81.CB only 0.000 apart, marking (T0367)S81.CB as missing WARNING: atoms too close: (T0367)R29.CB and (T0367)S81.CB only 0.000 apart, marking (T0367)S81.CB as missing WARNING: atoms too close: (T0367)E28.CB and (T0367)S81.CB only 0.000 apart, marking (T0367)S81.CB as missing WARNING: atoms too close: (T0367)Y27.CB and (T0367)S81.CB only 0.000 apart, marking (T0367)S81.CB as missing WARNING: atoms too close: (T0367)L26.CB and (T0367)S81.CB only 0.000 apart, marking (T0367)S81.CB as missing WARNING: atoms too close: (T0367)M24.CB and (T0367)S81.CB only 0.000 apart, marking (T0367)S81.CB as missing WARNING: atoms too close: (T0367)L80.O and (T0367)S81.O only 0.000 apart, marking (T0367)S81.O as missing WARNING: atoms too close: (T0367)K79.O and (T0367)S81.O only 0.000 apart, marking (T0367)S81.O as missing WARNING: atoms too close: (T0367)S78.O and (T0367)S81.O only 0.000 apart, marking (T0367)S81.O as missing WARNING: atoms too close: (T0367)C77.O and (T0367)S81.O only 0.000 apart, marking (T0367)S81.O as missing WARNING: atoms too close: (T0367)D76.O and (T0367)S81.O only 0.000 apart, marking (T0367)S81.O as missing WARNING: atoms too close: (T0367)D75.O and (T0367)S81.O only 0.000 apart, marking (T0367)S81.O as missing WARNING: atoms too close: (T0367)D74.O and (T0367)S81.O only 0.000 apart, marking (T0367)S81.O as missing WARNING: atoms too close: (T0367)S73.O and (T0367)S81.O only 0.000 apart, marking (T0367)S81.O as missing WARNING: atoms too close: (T0367)L72.O and (T0367)S81.O only 0.000 apart, marking (T0367)S81.O as missing WARNING: atoms too close: (T0367)R29.O and (T0367)S81.O only 0.000 apart, marking (T0367)S81.O as missing WARNING: atoms too close: (T0367)E28.O and (T0367)S81.O only 0.000 apart, marking (T0367)S81.O as missing WARNING: atoms too close: (T0367)Y27.O and (T0367)S81.O only 0.000 apart, marking (T0367)S81.O as missing WARNING: atoms too close: (T0367)L26.O and (T0367)S81.O only 0.000 apart, marking (T0367)S81.O as missing WARNING: atoms too close: (T0367)G25.O and (T0367)S81.O only 0.000 apart, marking (T0367)S81.O as missing WARNING: atoms too close: (T0367)M24.O and (T0367)S81.O only 0.000 apart, marking (T0367)S81.O as missing WARNING: atoms too close: (T0367)L80.C and (T0367)S81.C only 0.000 apart, marking (T0367)S81.C as missing WARNING: atoms too close: (T0367)K79.C and (T0367)S81.C only 0.000 apart, marking (T0367)S81.C as missing WARNING: atoms too close: (T0367)S78.C and (T0367)S81.C only 0.000 apart, marking (T0367)S81.C as missing WARNING: atoms too close: (T0367)C77.C and (T0367)S81.C only 0.000 apart, marking (T0367)S81.C as missing WARNING: atoms too close: (T0367)D76.C and (T0367)S81.C only 0.000 apart, marking (T0367)S81.C as missing WARNING: atoms too close: (T0367)D75.C and (T0367)S81.C only 0.000 apart, marking (T0367)S81.C as missing WARNING: atoms too close: (T0367)D74.C and (T0367)S81.C only 0.000 apart, marking (T0367)S81.C as missing WARNING: atoms too close: (T0367)S73.C and (T0367)S81.C only 0.000 apart, marking (T0367)S81.C as missing WARNING: atoms too close: (T0367)L72.C and (T0367)S81.C only 0.000 apart, marking (T0367)S81.C as missing WARNING: atoms too close: (T0367)R29.C and (T0367)S81.C only 0.000 apart, marking (T0367)S81.C as missing WARNING: atoms too close: (T0367)E28.C and (T0367)S81.C only 0.000 apart, marking (T0367)S81.C as missing WARNING: atoms too close: (T0367)Y27.C and (T0367)S81.C only 0.000 apart, marking (T0367)S81.C as missing WARNING: atoms too close: (T0367)L26.C and (T0367)S81.C only 0.000 apart, marking (T0367)S81.C as missing WARNING: atoms too close: (T0367)G25.C and (T0367)S81.C only 0.000 apart, marking (T0367)S81.C as missing WARNING: atoms too close: (T0367)M24.C and (T0367)S81.C only 0.000 apart, marking (T0367)S81.C as missing WARNING: atoms too close: (T0367)S81.N and (T0367)R82.N only 0.000 apart, marking (T0367)S81.N as missing WARNING: atoms too close: (T0367)L80.N and (T0367)R82.N only 0.000 apart, marking (T0367)L80.N as missing WARNING: atoms too close: (T0367)K79.N and (T0367)R82.N only 0.000 apart, marking (T0367)K79.N as missing WARNING: atoms too close: (T0367)S78.N and (T0367)R82.N only 0.000 apart, marking (T0367)S78.N as missing WARNING: atoms too close: (T0367)C77.N and (T0367)R82.N only 0.000 apart, marking (T0367)C77.N as missing WARNING: atoms too close: (T0367)D76.N and (T0367)R82.N only 0.000 apart, marking (T0367)D76.N as missing WARNING: atoms too close: (T0367)D75.N and (T0367)R82.N only 0.000 apart, marking (T0367)D75.N as missing WARNING: atoms too close: (T0367)D74.N and (T0367)R82.N only 0.000 apart, marking (T0367)D74.N as missing WARNING: atoms too close: (T0367)S73.N and (T0367)R82.N only 0.000 apart, marking (T0367)S73.N as missing WARNING: atoms too close: (T0367)L72.N and (T0367)R82.N only 0.000 apart, marking (T0367)L72.N as missing WARNING: atoms too close: (T0367)R29.N and (T0367)R82.N only 0.000 apart, marking (T0367)R29.N as missing WARNING: atoms too close: (T0367)E28.N and (T0367)R82.N only 0.000 apart, marking (T0367)E28.N as missing WARNING: atoms too close: (T0367)Y27.N and (T0367)R82.N only 0.000 apart, marking (T0367)Y27.N as missing WARNING: atoms too close: (T0367)L26.N and (T0367)R82.N only 0.000 apart, marking (T0367)L26.N as missing WARNING: atoms too close: (T0367)G25.N and (T0367)R82.N only 0.000 apart, marking (T0367)G25.N as missing WARNING: atoms too close: (T0367)M24.N and (T0367)R82.N only 0.000 apart, marking (T0367)R82.N as missing WARNING: atoms too close: (T0367)S81.CA and (T0367)R82.CA only 0.000 apart, marking (T0367)R82.CA as missing WARNING: atoms too close: (T0367)L80.CA and (T0367)R82.CA only 0.000 apart, marking (T0367)R82.CA as missing WARNING: atoms too close: (T0367)K79.CA and (T0367)R82.CA only 0.000 apart, marking (T0367)R82.CA as missing WARNING: atoms too close: (T0367)S78.CA and (T0367)R82.CA only 0.000 apart, marking (T0367)R82.CA as missing WARNING: atoms too close: (T0367)C77.CA and (T0367)R82.CA only 0.000 apart, marking (T0367)R82.CA as missing WARNING: atoms too close: (T0367)D76.CA and (T0367)R82.CA only 0.000 apart, marking (T0367)R82.CA as missing WARNING: atoms too close: (T0367)D75.CA and (T0367)R82.CA only 0.000 apart, marking (T0367)R82.CA as missing WARNING: atoms too close: (T0367)D74.CA and (T0367)R82.CA only 0.000 apart, marking (T0367)R82.CA as missing WARNING: atoms too close: (T0367)S73.CA and (T0367)R82.CA only 0.000 apart, marking (T0367)R82.CA as missing WARNING: atoms too close: (T0367)L72.CA and (T0367)R82.CA only 0.000 apart, marking (T0367)R82.CA as missing WARNING: atoms too close: (T0367)R29.CA and (T0367)R82.CA only 0.000 apart, marking (T0367)R82.CA as missing WARNING: atoms too close: (T0367)E28.CA and (T0367)R82.CA only 0.000 apart, marking (T0367)R82.CA as missing WARNING: atoms too close: (T0367)Y27.CA and (T0367)R82.CA only 0.000 apart, marking (T0367)R82.CA as missing WARNING: atoms too close: (T0367)L26.CA and (T0367)R82.CA only 0.000 apart, marking (T0367)R82.CA as missing WARNING: atoms too close: (T0367)G25.CA and (T0367)R82.CA only 0.000 apart, marking (T0367)R82.CA as missing WARNING: atoms too close: (T0367)M24.CA and (T0367)R82.CA only 0.000 apart, marking (T0367)R82.CA as missing WARNING: atoms too close: (T0367)S81.CB and (T0367)R82.CB only 0.000 apart, marking (T0367)R82.CB as missing WARNING: atoms too close: (T0367)L80.CB and (T0367)R82.CB only 0.000 apart, marking (T0367)R82.CB as missing WARNING: atoms too close: (T0367)K79.CB and (T0367)R82.CB only 0.000 apart, marking (T0367)R82.CB as missing WARNING: atoms too close: (T0367)S78.CB and (T0367)R82.CB only 0.000 apart, marking (T0367)R82.CB as missing WARNING: atoms too close: (T0367)C77.CB and (T0367)R82.CB only 0.000 apart, marking (T0367)R82.CB as missing WARNING: atoms too close: (T0367)D76.CB and (T0367)R82.CB only 0.000 apart, marking (T0367)R82.CB as missing WARNING: atoms too close: (T0367)D75.CB and (T0367)R82.CB only 0.000 apart, marking (T0367)R82.CB as missing WARNING: atoms too close: (T0367)D74.CB and (T0367)R82.CB only 0.000 apart, marking (T0367)R82.CB as missing WARNING: atoms too close: (T0367)S73.CB and (T0367)R82.CB only 0.000 apart, marking (T0367)R82.CB as missing WARNING: atoms too close: (T0367)L72.CB and (T0367)R82.CB only 0.000 apart, marking (T0367)R82.CB as missing WARNING: atoms too close: (T0367)R29.CB and (T0367)R82.CB only 0.000 apart, marking (T0367)R82.CB as missing WARNING: atoms too close: (T0367)E28.CB and (T0367)R82.CB only 0.000 apart, marking (T0367)R82.CB as missing WARNING: atoms too close: (T0367)Y27.CB and (T0367)R82.CB only 0.000 apart, marking (T0367)R82.CB as missing WARNING: atoms too close: (T0367)L26.CB and (T0367)R82.CB only 0.000 apart, marking (T0367)R82.CB as missing WARNING: atoms too close: (T0367)M24.CB and (T0367)R82.CB only 0.000 apart, marking (T0367)R82.CB as missing WARNING: atoms too close: (T0367)S81.O and (T0367)R82.O only 0.000 apart, marking (T0367)R82.O as missing WARNING: atoms too close: (T0367)L80.O and (T0367)R82.O only 0.000 apart, marking (T0367)R82.O as missing WARNING: atoms too close: (T0367)K79.O and (T0367)R82.O only 0.000 apart, marking (T0367)R82.O as missing WARNING: atoms too close: (T0367)S78.O and (T0367)R82.O only 0.000 apart, marking (T0367)R82.O as missing WARNING: atoms too close: (T0367)C77.O and (T0367)R82.O only 0.000 apart, marking (T0367)R82.O as missing WARNING: atoms too close: (T0367)D76.O and (T0367)R82.O only 0.000 apart, marking (T0367)R82.O as missing WARNING: atoms too close: (T0367)D75.O and (T0367)R82.O only 0.000 apart, marking (T0367)R82.O as missing WARNING: atoms too close: (T0367)D74.O and (T0367)R82.O only 0.000 apart, marking (T0367)R82.O as missing WARNING: atoms too close: (T0367)S73.O and (T0367)R82.O only 0.000 apart, marking (T0367)R82.O as missing WARNING: atoms too close: (T0367)L72.O and (T0367)R82.O only 0.000 apart, marking (T0367)R82.O as missing WARNING: atoms too close: (T0367)R29.O and (T0367)R82.O only 0.000 apart, marking (T0367)R82.O as missing WARNING: atoms too close: (T0367)E28.O and (T0367)R82.O only 0.000 apart, marking (T0367)R82.O as missing WARNING: atoms too close: (T0367)Y27.O and (T0367)R82.O only 0.000 apart, marking (T0367)R82.O as missing WARNING: atoms too close: (T0367)L26.O and (T0367)R82.O only 0.000 apart, marking (T0367)R82.O as missing WARNING: atoms too close: (T0367)G25.O and (T0367)R82.O only 0.000 apart, marking (T0367)R82.O as missing WARNING: atoms too close: (T0367)M24.O and (T0367)R82.O only 0.000 apart, marking (T0367)R82.O as missing WARNING: atoms too close: (T0367)S81.C and (T0367)R82.C only 0.000 apart, marking (T0367)R82.C as missing WARNING: atoms too close: (T0367)L80.C and (T0367)R82.C only 0.000 apart, marking (T0367)R82.C as missing WARNING: atoms too close: (T0367)K79.C and (T0367)R82.C only 0.000 apart, marking (T0367)R82.C as missing WARNING: atoms too close: (T0367)S78.C and (T0367)R82.C only 0.000 apart, marking (T0367)R82.C as missing WARNING: atoms too close: (T0367)C77.C and (T0367)R82.C only 0.000 apart, marking (T0367)R82.C as missing WARNING: atoms too close: (T0367)D76.C and (T0367)R82.C only 0.000 apart, marking (T0367)R82.C as missing WARNING: atoms too close: (T0367)D75.C and (T0367)R82.C only 0.000 apart, marking (T0367)R82.C as missing WARNING: atoms too close: (T0367)D74.C and (T0367)R82.C only 0.000 apart, marking (T0367)R82.C as missing WARNING: atoms too close: (T0367)S73.C and (T0367)R82.C only 0.000 apart, marking (T0367)R82.C as missing WARNING: atoms too close: (T0367)L72.C and (T0367)R82.C only 0.000 apart, marking (T0367)R82.C as missing WARNING: atoms too close: (T0367)R29.C and (T0367)R82.C only 0.000 apart, marking (T0367)R82.C as missing WARNING: atoms too close: (T0367)E28.C and (T0367)R82.C only 0.000 apart, marking (T0367)R82.C as missing WARNING: atoms too close: (T0367)Y27.C and (T0367)R82.C only 0.000 apart, marking (T0367)R82.C as missing WARNING: atoms too close: (T0367)L26.C and (T0367)R82.C only 0.000 apart, marking (T0367)R82.C as missing WARNING: atoms too close: (T0367)G25.C and (T0367)R82.C only 0.000 apart, marking (T0367)R82.C as missing WARNING: atoms too close: (T0367)M24.C and (T0367)R82.C only 0.000 apart, marking (T0367)R82.C as missing WARNING: atoms too close: (T0367)R82.N and (T0367)A83.N only 0.000 apart, marking (T0367)R82.N as missing WARNING: atoms too close: (T0367)S81.N and (T0367)A83.N only 0.000 apart, marking (T0367)S81.N as missing WARNING: atoms too close: (T0367)L80.N and (T0367)A83.N only 0.000 apart, marking (T0367)L80.N as missing WARNING: atoms too close: (T0367)K79.N and (T0367)A83.N only 0.000 apart, marking (T0367)K79.N as missing WARNING: atoms too close: (T0367)S78.N and (T0367)A83.N only 0.000 apart, marking (T0367)S78.N as missing WARNING: atoms too close: (T0367)C77.N and (T0367)A83.N only 0.000 apart, marking (T0367)C77.N as missing WARNING: atoms too close: (T0367)D76.N and (T0367)A83.N only 0.000 apart, marking (T0367)D76.N as missing WARNING: atoms too close: (T0367)D75.N and (T0367)A83.N only 0.000 apart, marking (T0367)D75.N as missing WARNING: atoms too close: (T0367)D74.N and (T0367)A83.N only 0.000 apart, marking (T0367)D74.N as missing WARNING: atoms too close: (T0367)S73.N and (T0367)A83.N only 0.000 apart, marking (T0367)S73.N as missing WARNING: atoms too close: (T0367)L72.N and (T0367)A83.N only 0.000 apart, marking (T0367)L72.N as missing WARNING: atoms too close: (T0367)R29.N and (T0367)A83.N only 0.000 apart, marking (T0367)R29.N as missing WARNING: atoms too close: (T0367)E28.N and (T0367)A83.N only 0.000 apart, marking (T0367)E28.N as missing WARNING: atoms too close: (T0367)Y27.N and (T0367)A83.N only 0.000 apart, marking (T0367)Y27.N as missing WARNING: atoms too close: (T0367)L26.N and (T0367)A83.N only 0.000 apart, marking (T0367)L26.N as missing WARNING: atoms too close: (T0367)G25.N and (T0367)A83.N only 0.000 apart, marking (T0367)G25.N as missing WARNING: atoms too close: (T0367)M24.N and (T0367)A83.N only 0.000 apart, marking (T0367)A83.N as missing WARNING: atoms too close: (T0367)R82.CA and (T0367)A83.CA only 0.000 apart, marking (T0367)A83.CA as missing WARNING: atoms too close: (T0367)S81.CA and (T0367)A83.CA only 0.000 apart, marking (T0367)A83.CA as missing WARNING: atoms too close: (T0367)L80.CA and (T0367)A83.CA only 0.000 apart, marking (T0367)A83.CA as missing WARNING: atoms too close: (T0367)K79.CA and (T0367)A83.CA only 0.000 apart, marking (T0367)A83.CA as missing WARNING: atoms too close: (T0367)S78.CA and (T0367)A83.CA only 0.000 apart, marking (T0367)A83.CA as missing WARNING: atoms too close: (T0367)C77.CA and (T0367)A83.CA only 0.000 apart, marking (T0367)A83.CA as missing WARNING: atoms too close: (T0367)D76.CA and (T0367)A83.CA only 0.000 apart, marking (T0367)A83.CA as missing WARNING: atoms too close: (T0367)D75.CA and (T0367)A83.CA only 0.000 apart, marking (T0367)A83.CA as missing WARNING: atoms too close: (T0367)D74.CA and (T0367)A83.CA only 0.000 apart, marking (T0367)A83.CA as missing WARNING: atoms too close: (T0367)S73.CA and (T0367)A83.CA only 0.000 apart, marking (T0367)A83.CA as missing WARNING: atoms too close: (T0367)L72.CA and (T0367)A83.CA only 0.000 apart, marking (T0367)A83.CA as missing WARNING: atoms too close: (T0367)R29.CA and (T0367)A83.CA only 0.000 apart, marking (T0367)A83.CA as missing WARNING: atoms too close: (T0367)E28.CA and (T0367)A83.CA only 0.000 apart, marking (T0367)A83.CA as missing WARNING: atoms too close: (T0367)Y27.CA and (T0367)A83.CA only 0.000 apart, marking (T0367)A83.CA as missing WARNING: atoms too close: (T0367)L26.CA and (T0367)A83.CA only 0.000 apart, marking (T0367)A83.CA as missing WARNING: atoms too close: (T0367)G25.CA and (T0367)A83.CA only 0.000 apart, marking (T0367)A83.CA as missing WARNING: atoms too close: (T0367)M24.CA and (T0367)A83.CA only 0.000 apart, marking (T0367)A83.CA as missing WARNING: atoms too close: (T0367)R82.CB and (T0367)A83.CB only 0.000 apart, marking (T0367)A83.CB as missing WARNING: atoms too close: (T0367)S81.CB and (T0367)A83.CB only 0.000 apart, marking (T0367)A83.CB as missing WARNING: atoms too close: (T0367)L80.CB and (T0367)A83.CB only 0.000 apart, marking (T0367)A83.CB as missing WARNING: atoms too close: (T0367)K79.CB and (T0367)A83.CB only 0.000 apart, marking (T0367)A83.CB as missing WARNING: atoms too close: (T0367)S78.CB and (T0367)A83.CB only 0.000 apart, marking (T0367)A83.CB as missing WARNING: atoms too close: (T0367)C77.CB and (T0367)A83.CB only 0.000 apart, marking (T0367)A83.CB as missing WARNING: atoms too close: (T0367)D76.CB and (T0367)A83.CB only 0.000 apart, marking (T0367)A83.CB as missing WARNING: atoms too close: (T0367)D75.CB and (T0367)A83.CB only 0.000 apart, marking (T0367)A83.CB as missing WARNING: atoms too close: (T0367)D74.CB and (T0367)A83.CB only 0.000 apart, marking (T0367)A83.CB as missing WARNING: atoms too close: (T0367)S73.CB and (T0367)A83.CB only 0.000 apart, marking (T0367)A83.CB as missing WARNING: atoms too close: (T0367)L72.CB and (T0367)A83.CB only 0.000 apart, marking (T0367)A83.CB as missing WARNING: atoms too close: (T0367)R29.CB and (T0367)A83.CB only 0.000 apart, marking (T0367)A83.CB as missing WARNING: atoms too close: (T0367)E28.CB and (T0367)A83.CB only 0.000 apart, marking (T0367)A83.CB as missing WARNING: atoms too close: (T0367)Y27.CB and (T0367)A83.CB only 0.000 apart, marking (T0367)A83.CB as missing WARNING: atoms too close: (T0367)L26.CB and (T0367)A83.CB only 0.000 apart, marking (T0367)A83.CB as missing WARNING: atoms too close: (T0367)M24.CB and (T0367)A83.CB only 0.000 apart, marking (T0367)A83.CB as missing WARNING: atoms too close: (T0367)R82.O and (T0367)A83.O only 0.000 apart, marking (T0367)A83.O as missing WARNING: atoms too close: (T0367)S81.O and (T0367)A83.O only 0.000 apart, marking (T0367)A83.O as missing WARNING: atoms too close: (T0367)L80.O and (T0367)A83.O only 0.000 apart, marking (T0367)A83.O as missing WARNING: atoms too close: (T0367)K79.O and (T0367)A83.O only 0.000 apart, marking (T0367)A83.O as missing WARNING: atoms too close: (T0367)S78.O and (T0367)A83.O only 0.000 apart, marking (T0367)A83.O as missing WARNING: atoms too close: (T0367)C77.O and (T0367)A83.O only 0.000 apart, marking (T0367)A83.O as missing WARNING: atoms too close: (T0367)D76.O and (T0367)A83.O only 0.000 apart, marking (T0367)A83.O as missing WARNING: atoms too close: (T0367)D75.O and (T0367)A83.O only 0.000 apart, marking (T0367)A83.O as missing WARNING: atoms too close: (T0367)D74.O and (T0367)A83.O only 0.000 apart, marking (T0367)A83.O as missing WARNING: atoms too close: (T0367)S73.O and (T0367)A83.O only 0.000 apart, marking (T0367)A83.O as missing WARNING: atoms too close: (T0367)L72.O and (T0367)A83.O only 0.000 apart, marking (T0367)A83.O as missing WARNING: atoms too close: (T0367)R29.O and (T0367)A83.O only 0.000 apart, marking (T0367)A83.O as missing WARNING: atoms too close: (T0367)E28.O and (T0367)A83.O only 0.000 apart, marking (T0367)A83.O as missing WARNING: atoms too close: (T0367)Y27.O and (T0367)A83.O only 0.000 apart, marking (T0367)A83.O as missing WARNING: atoms too close: (T0367)L26.O and (T0367)A83.O only 0.000 apart, marking (T0367)A83.O as missing WARNING: atoms too close: (T0367)G25.O and (T0367)A83.O only 0.000 apart, marking (T0367)A83.O as missing WARNING: atoms too close: (T0367)M24.O and (T0367)A83.O only 0.000 apart, marking (T0367)A83.O as missing WARNING: atoms too close: (T0367)R82.C and (T0367)A83.C only 0.000 apart, marking (T0367)A83.C as missing WARNING: atoms too close: (T0367)S81.C and (T0367)A83.C only 0.000 apart, marking (T0367)A83.C as missing WARNING: atoms too close: (T0367)L80.C and (T0367)A83.C only 0.000 apart, marking (T0367)A83.C as missing WARNING: atoms too close: (T0367)K79.C and (T0367)A83.C only 0.000 apart, marking (T0367)A83.C as missing WARNING: atoms too close: (T0367)S78.C and (T0367)A83.C only 0.000 apart, marking (T0367)A83.C as missing WARNING: atoms too close: (T0367)C77.C and (T0367)A83.C only 0.000 apart, marking (T0367)A83.C as missing WARNING: atoms too close: (T0367)D76.C and (T0367)A83.C only 0.000 apart, marking (T0367)A83.C as missing WARNING: atoms too close: (T0367)D75.C and (T0367)A83.C only 0.000 apart, marking (T0367)A83.C as missing WARNING: atoms too close: (T0367)D74.C and (T0367)A83.C only 0.000 apart, marking (T0367)A83.C as missing WARNING: atoms too close: (T0367)S73.C and (T0367)A83.C only 0.000 apart, marking (T0367)A83.C as missing WARNING: atoms too close: (T0367)L72.C and (T0367)A83.C only 0.000 apart, marking (T0367)A83.C as missing WARNING: atoms too close: (T0367)R29.C and (T0367)A83.C only 0.000 apart, marking (T0367)A83.C as missing WARNING: atoms too close: (T0367)E28.C and (T0367)A83.C only 0.000 apart, marking (T0367)A83.C as missing WARNING: atoms too close: (T0367)Y27.C and (T0367)A83.C only 0.000 apart, marking (T0367)A83.C as missing WARNING: atoms too close: (T0367)L26.C and (T0367)A83.C only 0.000 apart, marking (T0367)A83.C as missing WARNING: atoms too close: (T0367)G25.C and (T0367)A83.C only 0.000 apart, marking (T0367)A83.C as missing WARNING: atoms too close: (T0367)M24.C and (T0367)A83.C only 0.000 apart, marking (T0367)A83.C as missing WARNING: atoms too close: (T0367)A83.N and (T0367)E97.N only 0.000 apart, marking (T0367)A83.N as missing WARNING: atoms too close: (T0367)R82.N and (T0367)E97.N only 0.000 apart, marking (T0367)R82.N as missing WARNING: atoms too close: (T0367)S81.N and (T0367)E97.N only 0.000 apart, marking (T0367)S81.N as missing WARNING: atoms too close: (T0367)L80.N and (T0367)E97.N only 0.000 apart, marking (T0367)L80.N as missing WARNING: atoms too close: (T0367)K79.N and (T0367)E97.N only 0.000 apart, marking (T0367)K79.N as missing WARNING: atoms too close: (T0367)S78.N and (T0367)E97.N only 0.000 apart, marking (T0367)S78.N as missing WARNING: atoms too close: (T0367)C77.N and (T0367)E97.N only 0.000 apart, marking (T0367)C77.N as missing WARNING: atoms too close: (T0367)D76.N and (T0367)E97.N only 0.000 apart, marking (T0367)D76.N as missing WARNING: atoms too close: (T0367)D75.N and (T0367)E97.N only 0.000 apart, marking (T0367)D75.N as missing WARNING: atoms too close: (T0367)D74.N and (T0367)E97.N only 0.000 apart, marking (T0367)D74.N as missing WARNING: atoms too close: (T0367)S73.N and (T0367)E97.N only 0.000 apart, marking (T0367)S73.N as missing WARNING: atoms too close: (T0367)L72.N and (T0367)E97.N only 0.000 apart, marking (T0367)L72.N as missing WARNING: atoms too close: (T0367)R29.N and (T0367)E97.N only 0.000 apart, marking (T0367)R29.N as missing WARNING: atoms too close: (T0367)E28.N and (T0367)E97.N only 0.000 apart, marking (T0367)E28.N as missing WARNING: atoms too close: (T0367)Y27.N and (T0367)E97.N only 0.000 apart, marking (T0367)Y27.N as missing WARNING: atoms too close: (T0367)L26.N and (T0367)E97.N only 0.000 apart, marking (T0367)L26.N as missing WARNING: atoms too close: (T0367)G25.N and (T0367)E97.N only 0.000 apart, marking (T0367)G25.N as missing WARNING: atoms too close: (T0367)M24.N and (T0367)E97.N only 0.000 apart, marking (T0367)E97.N as missing WARNING: atoms too close: (T0367)A83.CA and (T0367)E97.CA only 0.000 apart, marking (T0367)E97.CA as missing WARNING: atoms too close: (T0367)R82.CA and (T0367)E97.CA only 0.000 apart, marking (T0367)E97.CA as missing WARNING: atoms too close: (T0367)S81.CA and (T0367)E97.CA only 0.000 apart, marking (T0367)E97.CA as missing WARNING: atoms too close: (T0367)L80.CA and (T0367)E97.CA only 0.000 apart, marking (T0367)E97.CA as missing WARNING: atoms too close: (T0367)K79.CA and (T0367)E97.CA only 0.000 apart, marking (T0367)E97.CA as missing WARNING: atoms too close: (T0367)S78.CA and (T0367)E97.CA only 0.000 apart, marking (T0367)E97.CA as missing WARNING: atoms too close: (T0367)C77.CA and (T0367)E97.CA only 0.000 apart, marking (T0367)E97.CA as missing WARNING: atoms too close: (T0367)D76.CA and (T0367)E97.CA only 0.000 apart, marking (T0367)E97.CA as missing WARNING: atoms too close: (T0367)D75.CA and (T0367)E97.CA only 0.000 apart, marking (T0367)E97.CA as missing WARNING: atoms too close: (T0367)D74.CA and (T0367)E97.CA only 0.000 apart, marking (T0367)E97.CA as missing WARNING: atoms too close: (T0367)S73.CA and (T0367)E97.CA only 0.000 apart, marking (T0367)E97.CA as missing WARNING: atoms too close: (T0367)L72.CA and (T0367)E97.CA only 0.000 apart, marking (T0367)E97.CA as missing WARNING: atoms too close: (T0367)R29.CA and (T0367)E97.CA only 0.000 apart, marking (T0367)E97.CA as missing WARNING: atoms too close: (T0367)E28.CA and (T0367)E97.CA only 0.000 apart, marking (T0367)E97.CA as missing WARNING: atoms too close: (T0367)Y27.CA and (T0367)E97.CA only 0.000 apart, marking (T0367)E97.CA as missing WARNING: atoms too close: (T0367)L26.CA and (T0367)E97.CA only 0.000 apart, marking (T0367)E97.CA as missing WARNING: atoms too close: (T0367)G25.CA and (T0367)E97.CA only 0.000 apart, marking (T0367)E97.CA as missing WARNING: atoms too close: (T0367)M24.CA and (T0367)E97.CA only 0.000 apart, marking (T0367)E97.CA as missing WARNING: atoms too close: (T0367)A83.CB and (T0367)E97.CB only 0.000 apart, marking (T0367)E97.CB as missing WARNING: atoms too close: (T0367)R82.CB and (T0367)E97.CB only 0.000 apart, marking (T0367)E97.CB as missing WARNING: atoms too close: (T0367)S81.CB and (T0367)E97.CB only 0.000 apart, marking (T0367)E97.CB as missing WARNING: atoms too close: (T0367)L80.CB and (T0367)E97.CB only 0.000 apart, marking (T0367)E97.CB as missing WARNING: atoms too close: (T0367)K79.CB and (T0367)E97.CB only 0.000 apart, marking (T0367)E97.CB as missing WARNING: atoms too close: (T0367)S78.CB and (T0367)E97.CB only 0.000 apart, marking (T0367)E97.CB as missing WARNING: atoms too close: (T0367)C77.CB and (T0367)E97.CB only 0.000 apart, marking (T0367)E97.CB as missing WARNING: atoms too close: (T0367)D76.CB and (T0367)E97.CB only 0.000 apart, marking (T0367)E97.CB as missing WARNING: atoms too close: (T0367)D75.CB and (T0367)E97.CB only 0.000 apart, marking (T0367)E97.CB as missing WARNING: atoms too close: (T0367)D74.CB and (T0367)E97.CB only 0.000 apart, marking (T0367)E97.CB as missing WARNING: atoms too close: (T0367)S73.CB and (T0367)E97.CB only 0.000 apart, marking (T0367)E97.CB as missing WARNING: atoms too close: (T0367)L72.CB and (T0367)E97.CB only 0.000 apart, marking (T0367)E97.CB as missing WARNING: atoms too close: (T0367)R29.CB and (T0367)E97.CB only 0.000 apart, marking (T0367)E97.CB as missing WARNING: atoms too close: (T0367)E28.CB and (T0367)E97.CB only 0.000 apart, marking (T0367)E97.CB as missing WARNING: atoms too close: (T0367)Y27.CB and (T0367)E97.CB only 0.000 apart, marking (T0367)E97.CB as missing WARNING: atoms too close: (T0367)L26.CB and (T0367)E97.CB only 0.000 apart, marking (T0367)E97.CB as missing WARNING: atoms too close: (T0367)M24.CB and (T0367)E97.CB only 0.000 apart, marking (T0367)E97.CB as missing WARNING: atoms too close: (T0367)A83.O and (T0367)E97.O only 0.000 apart, marking (T0367)E97.O as missing WARNING: atoms too close: (T0367)R82.O and (T0367)E97.O only 0.000 apart, marking (T0367)E97.O as missing WARNING: atoms too close: (T0367)S81.O and (T0367)E97.O only 0.000 apart, marking (T0367)E97.O as missing WARNING: atoms too close: (T0367)L80.O and (T0367)E97.O only 0.000 apart, marking (T0367)E97.O as missing WARNING: atoms too close: (T0367)K79.O and (T0367)E97.O only 0.000 apart, marking (T0367)E97.O as missing WARNING: atoms too close: (T0367)S78.O and (T0367)E97.O only 0.000 apart, marking (T0367)E97.O as missing WARNING: atoms too close: (T0367)C77.O and (T0367)E97.O only 0.000 apart, marking (T0367)E97.O as missing WARNING: atoms too close: (T0367)D76.O and (T0367)E97.O only 0.000 apart, marking (T0367)E97.O as missing WARNING: atoms too close: (T0367)D75.O and (T0367)E97.O only 0.000 apart, marking (T0367)E97.O as missing WARNING: atoms too close: (T0367)D74.O and (T0367)E97.O only 0.000 apart, marking (T0367)E97.O as missing WARNING: atoms too close: (T0367)S73.O and (T0367)E97.O only 0.000 apart, marking (T0367)E97.O as missing WARNING: atoms too close: (T0367)L72.O and (T0367)E97.O only 0.000 apart, marking (T0367)E97.O as missing WARNING: atoms too close: (T0367)R29.O and (T0367)E97.O only 0.000 apart, marking (T0367)E97.O as missing WARNING: atoms too close: (T0367)E28.O and (T0367)E97.O only 0.000 apart, marking (T0367)E97.O as missing WARNING: atoms too close: (T0367)Y27.O and (T0367)E97.O only 0.000 apart, marking (T0367)E97.O as missing WARNING: atoms too close: (T0367)L26.O and (T0367)E97.O only 0.000 apart, marking (T0367)E97.O as missing WARNING: atoms too close: (T0367)G25.O and (T0367)E97.O only 0.000 apart, marking (T0367)E97.O as missing WARNING: atoms too close: (T0367)M24.O and (T0367)E97.O only 0.000 apart, marking (T0367)E97.O as missing WARNING: atoms too close: (T0367)A83.C and (T0367)E97.C only 0.000 apart, marking (T0367)E97.C as missing WARNING: atoms too close: (T0367)R82.C and (T0367)E97.C only 0.000 apart, marking (T0367)E97.C as missing WARNING: atoms too close: (T0367)S81.C and (T0367)E97.C only 0.000 apart, marking (T0367)E97.C as missing WARNING: atoms too close: (T0367)L80.C and (T0367)E97.C only 0.000 apart, marking (T0367)E97.C as missing WARNING: atoms too close: (T0367)K79.C and (T0367)E97.C only 0.000 apart, marking (T0367)E97.C as missing WARNING: atoms too close: (T0367)S78.C and (T0367)E97.C only 0.000 apart, marking (T0367)E97.C as missing WARNING: atoms too close: (T0367)C77.C and (T0367)E97.C only 0.000 apart, marking (T0367)E97.C as missing WARNING: atoms too close: (T0367)D76.C and (T0367)E97.C only 0.000 apart, marking (T0367)E97.C as missing WARNING: atoms too close: (T0367)D75.C and (T0367)E97.C only 0.000 apart, marking (T0367)E97.C as missing WARNING: atoms too close: (T0367)D74.C and (T0367)E97.C only 0.000 apart, marking (T0367)E97.C as missing WARNING: atoms too close: (T0367)S73.C and (T0367)E97.C only 0.000 apart, marking (T0367)E97.C as missing WARNING: atoms too close: (T0367)L72.C and (T0367)E97.C only 0.000 apart, marking (T0367)E97.C as missing WARNING: atoms too close: (T0367)R29.C and (T0367)E97.C only 0.000 apart, marking (T0367)E97.C as missing WARNING: atoms too close: (T0367)E28.C and (T0367)E97.C only 0.000 apart, marking (T0367)E97.C as missing WARNING: atoms too close: (T0367)Y27.C and (T0367)E97.C only 0.000 apart, marking (T0367)E97.C as missing WARNING: atoms too close: (T0367)L26.C and (T0367)E97.C only 0.000 apart, marking (T0367)E97.C as missing WARNING: atoms too close: (T0367)G25.C and (T0367)E97.C only 0.000 apart, marking (T0367)E97.C as missing WARNING: atoms too close: (T0367)M24.C and (T0367)E97.C only 0.000 apart, marking (T0367)E97.C as missing WARNING: atoms too close: (T0367)E97.N and (T0367)V98.N only 0.000 apart, marking (T0367)E97.N as missing WARNING: atoms too close: (T0367)A83.N and (T0367)V98.N only 0.000 apart, marking (T0367)A83.N as missing WARNING: atoms too close: (T0367)R82.N and (T0367)V98.N only 0.000 apart, marking (T0367)R82.N as missing WARNING: atoms too close: (T0367)S81.N and (T0367)V98.N only 0.000 apart, marking (T0367)S81.N as missing WARNING: atoms too close: (T0367)L80.N and (T0367)V98.N only 0.000 apart, marking (T0367)L80.N as missing WARNING: atoms too close: (T0367)K79.N and (T0367)V98.N only 0.000 apart, marking (T0367)K79.N as missing WARNING: atoms too close: (T0367)S78.N and (T0367)V98.N only 0.000 apart, marking (T0367)S78.N as missing WARNING: atoms too close: (T0367)C77.N and (T0367)V98.N only 0.000 apart, marking (T0367)C77.N as missing WARNING: atoms too close: (T0367)D76.N and (T0367)V98.N only 0.000 apart, marking (T0367)D76.N as missing WARNING: atoms too close: (T0367)D75.N and (T0367)V98.N only 0.000 apart, marking (T0367)D75.N as missing WARNING: atoms too close: (T0367)D74.N and (T0367)V98.N only 0.000 apart, marking (T0367)D74.N as missing WARNING: atoms too close: (T0367)S73.N and (T0367)V98.N only 0.000 apart, marking (T0367)S73.N as missing WARNING: atoms too close: (T0367)L72.N and (T0367)V98.N only 0.000 apart, marking (T0367)L72.N as missing WARNING: atoms too close: (T0367)R29.N and (T0367)V98.N only 0.000 apart, marking (T0367)R29.N as missing WARNING: atoms too close: (T0367)E28.N and (T0367)V98.N only 0.000 apart, marking (T0367)E28.N as missing WARNING: atoms too close: (T0367)Y27.N and (T0367)V98.N only 0.000 apart, marking (T0367)Y27.N as missing WARNING: atoms too close: (T0367)L26.N and (T0367)V98.N only 0.000 apart, marking (T0367)L26.N as missing WARNING: atoms too close: (T0367)G25.N and (T0367)V98.N only 0.000 apart, marking (T0367)G25.N as missing WARNING: atoms too close: (T0367)M24.N and (T0367)V98.N only 0.000 apart, marking (T0367)V98.N as missing WARNING: atoms too close: (T0367)E97.CA and (T0367)V98.CA only 0.000 apart, marking (T0367)V98.CA as missing WARNING: atoms too close: (T0367)A83.CA and (T0367)V98.CA only 0.000 apart, marking (T0367)V98.CA as missing WARNING: atoms too close: (T0367)R82.CA and (T0367)V98.CA only 0.000 apart, marking (T0367)V98.CA as missing WARNING: atoms too close: (T0367)S81.CA and (T0367)V98.CA only 0.000 apart, marking (T0367)V98.CA as missing WARNING: atoms too close: (T0367)L80.CA and (T0367)V98.CA only 0.000 apart, marking (T0367)V98.CA as missing WARNING: atoms too close: (T0367)K79.CA and (T0367)V98.CA only 0.000 apart, marking (T0367)V98.CA as missing WARNING: atoms too close: (T0367)S78.CA and (T0367)V98.CA only 0.000 apart, marking (T0367)V98.CA as missing WARNING: atoms too close: (T0367)C77.CA and (T0367)V98.CA only 0.000 apart, marking (T0367)V98.CA as missing WARNING: atoms too close: (T0367)D76.CA and (T0367)V98.CA only 0.000 apart, marking (T0367)V98.CA as missing WARNING: atoms too close: (T0367)D75.CA and (T0367)V98.CA only 0.000 apart, marking (T0367)V98.CA as missing WARNING: atoms too close: (T0367)D74.CA and (T0367)V98.CA only 0.000 apart, marking (T0367)V98.CA as missing WARNING: atoms too close: (T0367)S73.CA and (T0367)V98.CA only 0.000 apart, marking (T0367)V98.CA as missing WARNING: atoms too close: (T0367)L72.CA and (T0367)V98.CA only 0.000 apart, marking (T0367)V98.CA as missing WARNING: atoms too close: (T0367)R29.CA and (T0367)V98.CA only 0.000 apart, marking (T0367)V98.CA as missing WARNING: atoms too close: (T0367)E28.CA and (T0367)V98.CA only 0.000 apart, marking (T0367)V98.CA as missing WARNING: atoms too close: (T0367)Y27.CA and (T0367)V98.CA only 0.000 apart, marking (T0367)V98.CA as missing WARNING: atoms too close: (T0367)L26.CA and (T0367)V98.CA only 0.000 apart, marking (T0367)V98.CA as missing WARNING: atoms too close: (T0367)G25.CA and (T0367)V98.CA only 0.000 apart, marking (T0367)V98.CA as missing WARNING: atoms too close: (T0367)M24.CA and (T0367)V98.CA only 0.000 apart, marking (T0367)V98.CA as missing WARNING: atoms too close: (T0367)E97.CB and (T0367)V98.CB only 0.000 apart, marking (T0367)V98.CB as missing WARNING: atoms too close: (T0367)A83.CB and (T0367)V98.CB only 0.000 apart, marking (T0367)V98.CB as missing WARNING: atoms too close: (T0367)R82.CB and (T0367)V98.CB only 0.000 apart, marking (T0367)V98.CB as missing WARNING: atoms too close: (T0367)S81.CB and (T0367)V98.CB only 0.000 apart, marking (T0367)V98.CB as missing WARNING: atoms too close: (T0367)L80.CB and (T0367)V98.CB only 0.000 apart, marking (T0367)V98.CB as missing WARNING: atoms too close: (T0367)K79.CB and (T0367)V98.CB only 0.000 apart, marking (T0367)V98.CB as missing WARNING: atoms too close: (T0367)S78.CB and (T0367)V98.CB only 0.000 apart, marking (T0367)V98.CB as missing WARNING: atoms too close: (T0367)C77.CB and (T0367)V98.CB only 0.000 apart, marking (T0367)V98.CB as missing WARNING: atoms too close: (T0367)D76.CB and (T0367)V98.CB only 0.000 apart, marking (T0367)V98.CB as missing WARNING: atoms too close: (T0367)D75.CB and (T0367)V98.CB only 0.000 apart, marking (T0367)V98.CB as missing WARNING: atoms too close: (T0367)D74.CB and (T0367)V98.CB only 0.000 apart, marking (T0367)V98.CB as missing WARNING: atoms too close: (T0367)S73.CB and (T0367)V98.CB only 0.000 apart, marking (T0367)V98.CB as missing WARNING: atoms too close: (T0367)L72.CB and (T0367)V98.CB only 0.000 apart, marking (T0367)V98.CB as missing WARNING: atoms too close: (T0367)R29.CB and (T0367)V98.CB only 0.000 apart, marking (T0367)V98.CB as missing WARNING: atoms too close: (T0367)E28.CB and (T0367)V98.CB only 0.000 apart, marking (T0367)V98.CB as missing WARNING: atoms too close: (T0367)Y27.CB and (T0367)V98.CB only 0.000 apart, marking (T0367)V98.CB as missing WARNING: atoms too close: (T0367)L26.CB and (T0367)V98.CB only 0.000 apart, marking (T0367)V98.CB as missing WARNING: atoms too close: (T0367)M24.CB and (T0367)V98.CB only 0.000 apart, marking (T0367)V98.CB as missing WARNING: atoms too close: (T0367)E97.O and (T0367)V98.O only 0.000 apart, marking (T0367)V98.O as missing WARNING: atoms too close: (T0367)A83.O and (T0367)V98.O only 0.000 apart, marking (T0367)V98.O as missing WARNING: atoms too close: (T0367)R82.O and (T0367)V98.O only 0.000 apart, marking (T0367)V98.O as missing WARNING: atoms too close: (T0367)S81.O and (T0367)V98.O only 0.000 apart, marking (T0367)V98.O as missing WARNING: atoms too close: (T0367)L80.O and (T0367)V98.O only 0.000 apart, marking (T0367)V98.O as missing WARNING: atoms too close: (T0367)K79.O and (T0367)V98.O only 0.000 apart, marking (T0367)V98.O as missing WARNING: atoms too close: (T0367)S78.O and (T0367)V98.O only 0.000 apart, marking (T0367)V98.O as missing WARNING: atoms too close: (T0367)C77.O and (T0367)V98.O only 0.000 apart, marking (T0367)V98.O as missing WARNING: atoms too close: (T0367)D76.O and (T0367)V98.O only 0.000 apart, marking (T0367)V98.O as missing WARNING: atoms too close: (T0367)D75.O and (T0367)V98.O only 0.000 apart, marking (T0367)V98.O as missing WARNING: atoms too close: (T0367)D74.O and (T0367)V98.O only 0.000 apart, marking (T0367)V98.O as missing WARNING: atoms too close: (T0367)S73.O and (T0367)V98.O only 0.000 apart, marking (T0367)V98.O as missing WARNING: atoms too close: (T0367)L72.O and (T0367)V98.O only 0.000 apart, marking (T0367)V98.O as missing WARNING: atoms too close: (T0367)R29.O and (T0367)V98.O only 0.000 apart, marking (T0367)V98.O as missing WARNING: atoms too close: (T0367)E28.O and (T0367)V98.O only 0.000 apart, marking (T0367)V98.O as missing WARNING: atoms too close: (T0367)Y27.O and (T0367)V98.O only 0.000 apart, marking (T0367)V98.O as missing WARNING: atoms too close: (T0367)L26.O and (T0367)V98.O only 0.000 apart, marking (T0367)V98.O as missing WARNING: atoms too close: (T0367)G25.O and (T0367)V98.O only 0.000 apart, marking (T0367)V98.O as missing WARNING: atoms too close: (T0367)M24.O and (T0367)V98.O only 0.000 apart, marking (T0367)V98.O as missing WARNING: atoms too close: (T0367)E97.C and (T0367)V98.C only 0.000 apart, marking (T0367)V98.C as missing WARNING: atoms too close: (T0367)A83.C and (T0367)V98.C only 0.000 apart, marking (T0367)V98.C as missing WARNING: atoms too close: (T0367)R82.C and (T0367)V98.C only 0.000 apart, marking (T0367)V98.C as missing WARNING: atoms too close: (T0367)S81.C and (T0367)V98.C only 0.000 apart, marking (T0367)V98.C as missing WARNING: atoms too close: (T0367)L80.C and (T0367)V98.C only 0.000 apart, marking (T0367)V98.C as missing WARNING: atoms too close: (T0367)K79.C and (T0367)V98.C only 0.000 apart, marking (T0367)V98.C as missing WARNING: atoms too close: (T0367)S78.C and (T0367)V98.C only 0.000 apart, marking (T0367)V98.C as missing WARNING: atoms too close: (T0367)C77.C and (T0367)V98.C only 0.000 apart, marking (T0367)V98.C as missing WARNING: atoms too close: (T0367)D76.C and (T0367)V98.C only 0.000 apart, marking (T0367)V98.C as missing WARNING: atoms too close: (T0367)D75.C and (T0367)V98.C only 0.000 apart, marking (T0367)V98.C as missing WARNING: atoms too close: (T0367)D74.C and (T0367)V98.C only 0.000 apart, marking (T0367)V98.C as missing WARNING: atoms too close: (T0367)S73.C and (T0367)V98.C only 0.000 apart, marking (T0367)V98.C as missing WARNING: atoms too close: (T0367)L72.C and (T0367)V98.C only 0.000 apart, marking (T0367)V98.C as missing WARNING: atoms too close: (T0367)R29.C and (T0367)V98.C only 0.000 apart, marking (T0367)V98.C as missing WARNING: atoms too close: (T0367)E28.C and (T0367)V98.C only 0.000 apart, marking (T0367)V98.C as missing WARNING: atoms too close: (T0367)Y27.C and (T0367)V98.C only 0.000 apart, marking (T0367)V98.C as missing WARNING: atoms too close: (T0367)L26.C and (T0367)V98.C only 0.000 apart, marking (T0367)V98.C as missing WARNING: atoms too close: (T0367)G25.C and (T0367)V98.C only 0.000 apart, marking (T0367)V98.C as missing WARNING: atoms too close: (T0367)M24.C and (T0367)V98.C only 0.000 apart, marking (T0367)V98.C as missing WARNING: atoms too close: (T0367)V98.N and (T0367)S99.N only 0.000 apart, marking (T0367)V98.N as missing WARNING: atoms too close: (T0367)E97.N and (T0367)S99.N only 0.000 apart, marking (T0367)E97.N as missing WARNING: atoms too close: (T0367)A83.N and (T0367)S99.N only 0.000 apart, marking (T0367)A83.N as missing WARNING: atoms too close: (T0367)R82.N and (T0367)S99.N only 0.000 apart, marking (T0367)R82.N as missing WARNING: atoms too close: (T0367)S81.N and (T0367)S99.N only 0.000 apart, marking (T0367)S81.N as missing WARNING: atoms too close: (T0367)L80.N and (T0367)S99.N only 0.000 apart, marking (T0367)L80.N as missing WARNING: atoms too close: (T0367)K79.N and (T0367)S99.N only 0.000 apart, marking (T0367)K79.N as missing WARNING: atoms too close: (T0367)S78.N and (T0367)S99.N only 0.000 apart, marking (T0367)S78.N as missing WARNING: atoms too close: (T0367)C77.N and (T0367)S99.N only 0.000 apart, marking (T0367)C77.N as missing WARNING: atoms too close: (T0367)D76.N and (T0367)S99.N only 0.000 apart, marking (T0367)D76.N as missing WARNING: atoms too close: (T0367)D75.N and (T0367)S99.N only 0.000 apart, marking (T0367)D75.N as missing WARNING: atoms too close: (T0367)D74.N and (T0367)S99.N only 0.000 apart, marking (T0367)D74.N as missing WARNING: atoms too close: (T0367)S73.N and (T0367)S99.N only 0.000 apart, marking (T0367)S73.N as missing WARNING: atoms too close: (T0367)L72.N and (T0367)S99.N only 0.000 apart, marking (T0367)L72.N as missing WARNING: atoms too close: (T0367)R29.N and (T0367)S99.N only 0.000 apart, marking (T0367)R29.N as missing WARNING: atoms too close: (T0367)E28.N and (T0367)S99.N only 0.000 apart, marking (T0367)E28.N as missing WARNING: atoms too close: (T0367)Y27.N and (T0367)S99.N only 0.000 apart, marking (T0367)Y27.N as missing WARNING: atoms too close: (T0367)L26.N and (T0367)S99.N only 0.000 apart, marking (T0367)L26.N as missing WARNING: atoms too close: (T0367)G25.N and (T0367)S99.N only 0.000 apart, marking (T0367)G25.N as missing WARNING: atoms too close: (T0367)M24.N and (T0367)S99.N only 0.000 apart, marking (T0367)S99.N as missing WARNING: atoms too close: (T0367)V98.CA and (T0367)S99.CA only 0.000 apart, marking (T0367)S99.CA as missing WARNING: atoms too close: (T0367)E97.CA and (T0367)S99.CA only 0.000 apart, marking (T0367)S99.CA as missing WARNING: atoms too close: (T0367)A83.CA and (T0367)S99.CA only 0.000 apart, marking (T0367)S99.CA as missing WARNING: atoms too close: (T0367)R82.CA and (T0367)S99.CA only 0.000 apart, marking (T0367)S99.CA as missing WARNING: atoms too close: (T0367)S81.CA and (T0367)S99.CA only 0.000 apart, marking (T0367)S99.CA as missing WARNING: atoms too close: (T0367)L80.CA and (T0367)S99.CA only 0.000 apart, marking (T0367)S99.CA as missing WARNING: atoms too close: (T0367)K79.CA and (T0367)S99.CA only 0.000 apart, marking (T0367)S99.CA as missing WARNING: atoms too close: (T0367)S78.CA and (T0367)S99.CA only 0.000 apart, marking (T0367)S99.CA as missing WARNING: atoms too close: (T0367)C77.CA and (T0367)S99.CA only 0.000 apart, marking (T0367)S99.CA as missing WARNING: atoms too close: (T0367)D76.CA and (T0367)S99.CA only 0.000 apart, marking (T0367)S99.CA as missing WARNING: atoms too close: (T0367)D75.CA and (T0367)S99.CA only 0.000 apart, marking (T0367)S99.CA as missing WARNING: atoms too close: (T0367)D74.CA and (T0367)S99.CA only 0.000 apart, marking (T0367)S99.CA as missing WARNING: atoms too close: (T0367)S73.CA and (T0367)S99.CA only 0.000 apart, marking (T0367)S99.CA as missing WARNING: atoms too close: (T0367)L72.CA and (T0367)S99.CA only 0.000 apart, marking (T0367)S99.CA as missing WARNING: atoms too close: (T0367)R29.CA and (T0367)S99.CA only 0.000 apart, marking (T0367)S99.CA as missing WARNING: atoms too close: (T0367)E28.CA and (T0367)S99.CA only 0.000 apart, marking (T0367)S99.CA as missing WARNING: atoms too close: (T0367)Y27.CA and (T0367)S99.CA only 0.000 apart, marking (T0367)S99.CA as missing WARNING: atoms too close: (T0367)L26.CA and (T0367)S99.CA only 0.000 apart, marking (T0367)S99.CA as missing WARNING: atoms too close: (T0367)G25.CA and (T0367)S99.CA only 0.000 apart, marking (T0367)S99.CA as missing WARNING: atoms too close: (T0367)M24.CA and (T0367)S99.CA only 0.000 apart, marking (T0367)S99.CA as missing WARNING: atoms too close: (T0367)V98.CB and (T0367)S99.CB only 0.000 apart, marking (T0367)S99.CB as missing WARNING: atoms too close: (T0367)E97.CB and (T0367)S99.CB only 0.000 apart, marking (T0367)S99.CB as missing WARNING: atoms too close: (T0367)A83.CB and (T0367)S99.CB only 0.000 apart, marking (T0367)S99.CB as missing WARNING: atoms too close: (T0367)R82.CB and (T0367)S99.CB only 0.000 apart, marking (T0367)S99.CB as missing WARNING: atoms too close: (T0367)S81.CB and (T0367)S99.CB only 0.000 apart, marking (T0367)S99.CB as missing WARNING: atoms too close: (T0367)L80.CB and (T0367)S99.CB only 0.000 apart, marking (T0367)S99.CB as missing WARNING: atoms too close: (T0367)K79.CB and (T0367)S99.CB only 0.000 apart, marking (T0367)S99.CB as missing WARNING: atoms too close: (T0367)S78.CB and (T0367)S99.CB only 0.000 apart, marking (T0367)S99.CB as missing WARNING: atoms too close: (T0367)C77.CB and (T0367)S99.CB only 0.000 apart, marking (T0367)S99.CB as missing WARNING: atoms too close: (T0367)D76.CB and (T0367)S99.CB only 0.000 apart, marking (T0367)S99.CB as missing WARNING: atoms too close: (T0367)D75.CB and (T0367)S99.CB only 0.000 apart, marking (T0367)S99.CB as missing WARNING: atoms too close: (T0367)D74.CB and (T0367)S99.CB only 0.000 apart, marking (T0367)S99.CB as missing WARNING: atoms too close: (T0367)S73.CB and (T0367)S99.CB only 0.000 apart, marking (T0367)S99.CB as missing WARNING: atoms too close: (T0367)L72.CB and (T0367)S99.CB only 0.000 apart, marking (T0367)S99.CB as missing WARNING: atoms too close: (T0367)R29.CB and (T0367)S99.CB only 0.000 apart, marking (T0367)S99.CB as missing WARNING: atoms too close: (T0367)E28.CB and (T0367)S99.CB only 0.000 apart, marking (T0367)S99.CB as missing WARNING: atoms too close: (T0367)Y27.CB and (T0367)S99.CB only 0.000 apart, marking (T0367)S99.CB as missing WARNING: atoms too close: (T0367)L26.CB and (T0367)S99.CB only 0.000 apart, marking (T0367)S99.CB as missing WARNING: atoms too close: (T0367)M24.CB and (T0367)S99.CB only 0.000 apart, marking (T0367)S99.CB as missing WARNING: atoms too close: (T0367)V98.O and (T0367)S99.O only 0.000 apart, marking (T0367)S99.O as missing WARNING: atoms too close: (T0367)E97.O and (T0367)S99.O only 0.000 apart, marking (T0367)S99.O as missing WARNING: atoms too close: (T0367)A83.O and (T0367)S99.O only 0.000 apart, marking (T0367)S99.O as missing WARNING: atoms too close: (T0367)R82.O and (T0367)S99.O only 0.000 apart, marking (T0367)S99.O as missing WARNING: atoms too close: (T0367)S81.O and (T0367)S99.O only 0.000 apart, marking (T0367)S99.O as missing WARNING: atoms too close: (T0367)L80.O and (T0367)S99.O only 0.000 apart, marking (T0367)S99.O as missing WARNING: atoms too close: (T0367)K79.O and (T0367)S99.O only 0.000 apart, marking (T0367)S99.O as missing WARNING: atoms too close: (T0367)S78.O and (T0367)S99.O only 0.000 apart, marking (T0367)S99.O as missing WARNING: atoms too close: (T0367)C77.O and (T0367)S99.O only 0.000 apart, marking (T0367)S99.O as missing WARNING: atoms too close: (T0367)D76.O and (T0367)S99.O only 0.000 apart, marking (T0367)S99.O as missing WARNING: atoms too close: (T0367)D75.O and (T0367)S99.O only 0.000 apart, marking (T0367)S99.O as missing WARNING: atoms too close: (T0367)D74.O and (T0367)S99.O only 0.000 apart, marking (T0367)S99.O as missing WARNING: atoms too close: (T0367)S73.O and (T0367)S99.O only 0.000 apart, marking (T0367)S99.O as missing WARNING: atoms too close: (T0367)L72.O and (T0367)S99.O only 0.000 apart, marking (T0367)S99.O as missing WARNING: atoms too close: (T0367)R29.O and (T0367)S99.O only 0.000 apart, marking (T0367)S99.O as missing WARNING: atoms too close: (T0367)E28.O and (T0367)S99.O only 0.000 apart, marking (T0367)S99.O as missing WARNING: atoms too close: (T0367)Y27.O and (T0367)S99.O only 0.000 apart, marking (T0367)S99.O as missing WARNING: atoms too close: (T0367)L26.O and (T0367)S99.O only 0.000 apart, marking (T0367)S99.O as missing WARNING: atoms too close: (T0367)G25.O and (T0367)S99.O only 0.000 apart, marking (T0367)S99.O as missing WARNING: atoms too close: (T0367)M24.O and (T0367)S99.O only 0.000 apart, marking (T0367)S99.O as missing WARNING: atoms too close: (T0367)V98.C and (T0367)S99.C only 0.000 apart, marking (T0367)S99.C as missing WARNING: atoms too close: (T0367)E97.C and (T0367)S99.C only 0.000 apart, marking (T0367)S99.C as missing WARNING: atoms too close: (T0367)A83.C and (T0367)S99.C only 0.000 apart, marking (T0367)S99.C as missing WARNING: atoms too close: (T0367)R82.C and (T0367)S99.C only 0.000 apart, marking (T0367)S99.C as missing WARNING: atoms too close: (T0367)S81.C and (T0367)S99.C only 0.000 apart, marking (T0367)S99.C as missing WARNING: atoms too close: (T0367)L80.C and (T0367)S99.C only 0.000 apart, marking (T0367)S99.C as missing WARNING: atoms too close: (T0367)K79.C and (T0367)S99.C only 0.000 apart, marking (T0367)S99.C as missing WARNING: atoms too close: (T0367)S78.C and (T0367)S99.C only 0.000 apart, marking (T0367)S99.C as missing WARNING: atoms too close: (T0367)C77.C and (T0367)S99.C only 0.000 apart, marking (T0367)S99.C as missing WARNING: atoms too close: (T0367)D76.C and (T0367)S99.C only 0.000 apart, marking (T0367)S99.C as missing WARNING: atoms too close: (T0367)D75.C and (T0367)S99.C only 0.000 apart, marking (T0367)S99.C as missing WARNING: atoms too close: (T0367)D74.C and (T0367)S99.C only 0.000 apart, marking (T0367)S99.C as missing WARNING: atoms too close: (T0367)S73.C and (T0367)S99.C only 0.000 apart, marking (T0367)S99.C as missing WARNING: atoms too close: (T0367)L72.C and (T0367)S99.C only 0.000 apart, marking (T0367)S99.C as missing WARNING: atoms too close: (T0367)R29.C and (T0367)S99.C only 0.000 apart, marking (T0367)S99.C as missing WARNING: atoms too close: (T0367)E28.C and (T0367)S99.C only 0.000 apart, marking (T0367)S99.C as missing WARNING: atoms too close: (T0367)Y27.C and (T0367)S99.C only 0.000 apart, marking (T0367)S99.C as missing WARNING: atoms too close: (T0367)L26.C and (T0367)S99.C only 0.000 apart, marking (T0367)S99.C as missing WARNING: atoms too close: (T0367)G25.C and (T0367)S99.C only 0.000 apart, marking (T0367)S99.C as missing WARNING: atoms too close: (T0367)M24.C and (T0367)S99.C only 0.000 apart, marking (T0367)S99.C as missing # WARNING: incomplete conformation T0367 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: incomplete conformation T0367 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 122 # copying to AlignedFragments data structure # naming current conformation shub_TS1 # command:Using radius: 8.0000 Using models AND alignments for constraints model score -0.5148 model score -0.5153 model score -0.5245 model score -0.5249 model score 1.3887 model score 2.6395 model score 2.6614 model score 2.7062 model score 2.8214 model score 2.1008 model score 0.2324 model score 2.1825 model score 1.9483 model score 1.2623 model score -0.1869 model score 2.0472 model score 2.6356 model score 2.5486 model score 1.8057 model score -0.5172 model score -0.5230 model score -0.0832 model score -0.4344 model score 2.0388 model score 1.3886 model score 1.9062 model score 1.5937 model score 1.1691 model score 0.3157 model score -0.4341 model score -0.2031 model score -0.2395 model score -0.1791 model score -0.5243 model score -0.5123 model score -0.4889 model score -0.5281 model score -0.4217 model score 0.6896 model score 1.2771 model score -0.4035 model score -0.2963 model score 1.4026 model score 1.5973 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score -0.3800 model score -0.3842 model score -0.2577 model score -0.2408 model score -0.0948 model score -0.4970 model score -0.4889 model score -0.5123 model score -0.5281 model score -0.2868 model score -0.4741 model score -0.4520 model score -0.5442 model score -0.0832 model score 1.2175 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score -0.4261 model score 1.9164 model score 1.8762 model score 1.7032 model score 1.8252 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score -0.3789 model score -0.3376 model score -0.2868 model score -0.3815 model score 1.7952 model score -0.0420 model score -0.0036 model score -0.1410 model score -0.0293 model score 1.0474 model score -0.4129 model score -0.2385 model score -0.4164 model score -0.4676 model score -0.5344 model score -0.4486 model score -0.4509 model score -0.4509 model score -0.3430 model score -0.4843 model score -0.3304 model score 0.4165 model score 1.9558 model score -0.0356 model score -0.4740 model score 0.5000 model score 0.8126 model score 1.0312 model score 1.2771 model score -0.2722 model score -0.4684 model score -0.2007 model score 1.8417 model score 2.1646 model score -0.2835 model score -0.4240 model score -0.2007 model score 1.8643 model score 2.1257 model score -0.5413 model score -0.4234 model score -0.5416 model score -0.2218 model score 1.2913 model score 1.7555 model score 1.8015 model score 1.4422 model score 1.2913 model score -0.3718 model score -0.3643 model score -0.3856 model score -0.3857 model score -0.3702 model score -0.3942 model score -0.4032 model score -0.4805 model score -0.3687 model score -0.3754 model score -0.5316 model score -0.5316 model score -0.4788 model score -0.4041 model score -0.4307 model score -0.2255 model score -0.3007 model score -0.2929 model score -0.2929 model score -0.2929 model score -0.2733 model score -0.4336 model score -0.1162 model score -0.4769 model score -0.4260 model score -0.5230 model score -0.2198 model score -0.4130 model score -0.5190 model score -0.5279 model score -0.4537 model score -0.4384 model score -0.4683 model score -0.4683 model score -0.4683 model score -0.2586 model score -0.4967 model score -0.5149 model score -0.5149 model score -0.5149 model score -0.3523 model score -0.4336 model score -0.1162 model score -0.3962 model score -0.4769 model score -0.4260 model score -0.2462 model score -0.1825 model score -0.3296 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 0.5388 model score -0.2495 model score -0.3432 model score 0.3670 model score 0.7769 model score -0.4537 model score -0.5190 model score -0.2531 model score 0.9750 model score 1.9100 model score -0.3770 model score -0.3329 model score -0.2647 model score 0.6851 model score 1.7295 model score -0.4630 model score -0.5218 model score -0.1692 model score 1.9545 model score 1.8150 model score 1.2771 model score 1.2771 model score 1.2771 model score -0.4244 model score 1.2771 model score 1.2771 model score 1.2771 model score -0.5184 model score -0.5004 model score -0.5182 model score -0.5017 model score -0.4663 model score -0.4001 model score -0.3923 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 0.1335 model score 0.0955 model score 0.1045 model score 0.3539 model score 1.0385 model score -0.5340 model score 1.2469 model score 1.2600 model score 0.5913 model score 1.3674 model score -0.4951 model score -0.4181 model score 0.0240 model score -0.1890 model score -0.2879 model score -0.4167 model score -0.2218 model score 1.9610 model score 1.9467 model score 0.3537 model score 1.8659 model score 1.8750 model score 1.2961 model score -0.4563 USE_META, weight: 0.9921 cost: -0.5148 min: -0.5442 max: 2.8214 USE_META, weight: 0.9923 cost: -0.5153 min: -0.5442 max: 2.8214 USE_META, weight: 0.9947 cost: -0.5245 min: -0.5442 max: 2.8214 USE_META, weight: 0.9948 cost: -0.5249 min: -0.5442 max: 2.8214 USE_META, weight: 0.4831 cost: 1.3887 min: -0.5442 max: 2.8214 USE_META, weight: 0.1487 cost: 2.6395 min: -0.5442 max: 2.8214 USE_META, weight: 0.1428 cost: 2.6614 min: -0.5442 max: 2.8214 USE_META, weight: 0.1308 cost: 2.7062 min: -0.5442 max: 2.8214 USE_META, weight: 0.1000 cost: 2.8214 min: -0.5442 max: 2.8214 USE_META, weight: 0.2927 cost: 2.1008 min: -0.5442 max: 2.8214 USE_META, weight: 0.7923 cost: 0.2324 min: -0.5442 max: 2.8214 USE_META, weight: 0.2709 cost: 2.1825 min: -0.5442 max: 2.8214 USE_META, weight: 0.3335 cost: 1.9483 min: -0.5442 max: 2.8214 USE_META, weight: 0.5169 cost: 1.2623 min: -0.5442 max: 2.8214 USE_META, weight: 0.9045 cost: -0.1869 min: -0.5442 max: 2.8214 USE_META, weight: 0.3070 cost: 2.0472 min: -0.5442 max: 2.8214 USE_META, weight: 0.1497 cost: 2.6356 min: -0.5442 max: 2.8214 USE_META, weight: 0.1730 cost: 2.5486 min: -0.5442 max: 2.8214 USE_META, weight: 0.3716 cost: 1.8057 min: -0.5442 max: 2.8214 USE_META, weight: 0.9928 cost: -0.5172 min: -0.5442 max: 2.8214 USE_META, weight: 0.9943 cost: -0.5230 min: -0.5442 max: 2.8214 USE_META, 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min: 0.0000 max: 31.3670 USE_EVALUE, weight: 0.2919 eval: 24.6780 min: 0.0000 max: 31.3670 USE_EVALUE, weight: 0.2919 eval: 24.6780 min: 0.0000 max: 31.3670 USE_EVALUE, weight: 0.2919 eval: 24.6780 min: 0.0000 max: 31.3670 USE_EVALUE, weight: 0.1637 eval: 29.1470 min: 0.0000 max: 31.3670 USE_EVALUE, weight: 0.1637 eval: 29.1470 min: 0.0000 max: 31.3670 USE_EVALUE, weight: 0.1637 eval: 29.1470 min: 0.0000 max: 31.3670 USE_EVALUE, weight: 0.4766 eval: 18.2420 min: 0.0000 max: 31.3670 USE_EVALUE, weight: 0.4766 eval: 18.2420 min: 0.0000 max: 31.3670 USE_EVALUE, weight: 0.4766 eval: 18.2420 min: 0.0000 max: 31.3670 USE_EVALUE, weight: 0.1732 eval: 28.8170 min: 0.0000 max: 31.3670 USE_EVALUE, weight: 0.1732 eval: 28.8170 min: 0.0000 max: 31.3670 USE_EVALUE, weight: 0.1732 eval: 28.8170 min: 0.0000 max: 31.3670 USE_EVALUE, weight: 0.3172 eval: 23.7970 min: 0.0000 max: 31.3670 USE_EVALUE, weight: 0.3172 eval: 23.7970 min: 0.0000 max: 31.3670 USE_EVALUE, weight: 0.3172 eval: 23.7970 min: 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31.3670 USE_EVALUE, weight: 0.7489 eval: 8.7500 min: 0.0000 max: 31.3670 USE_EVALUE, weight: 0.7489 eval: 8.7500 min: 0.0000 max: 31.3670 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 31.3670 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 31.3670 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 31.3670 USE_EVALUE, weight: 0.4213 eval: 20.1680 min: 0.0000 max: 31.3670 USE_EVALUE, weight: 0.4213 eval: 20.1680 min: 0.0000 max: 31.3670 USE_EVALUE, weight: 0.4213 eval: 20.1680 min: 0.0000 max: 31.3670 USE_EVALUE, weight: 0.5059 eval: 17.2190 min: 0.0000 max: 31.3670 USE_EVALUE, weight: 0.5059 eval: 17.2190 min: 0.0000 max: 31.3670 USE_EVALUE, weight: 0.5059 eval: 17.2190 min: 0.0000 max: 31.3670 USE_EVALUE, weight: 0.1629 eval: 29.1760 min: 0.0000 max: 31.3670 USE_EVALUE, weight: 0.1629 eval: 29.1760 min: 0.0000 max: 31.3670 USE_EVALUE, weight: 0.1629 eval: 29.1760 min: 0.0000 max: 31.3670 USE_EVALUE, weight: 0.8806 eval: 4.1600 min: 0.0000 max: 31.3670 USE_EVALUE, weight: 0.8806 eval: 4.1600 min: 0.0000 max: 31.3670 USE_EVALUE, weight: 0.6930 eval: 10.7000 min: 0.0000 max: 31.3670 USE_EVALUE, weight: 0.8121 eval: 6.5475 min: 0.0000 max: 31.3670 USE_EVALUE, weight: 0.8121 eval: 6.5475 min: 0.0000 max: 31.3670 USE_EVALUE, weight: 0.8121 eval: 6.5475 min: 0.0000 max: 31.3670 USE_EVALUE, weight: 0.4665 eval: 18.5920 min: 0.0000 max: 31.3670 USE_EVALUE, weight: 0.4665 eval: 18.5920 min: 0.0000 max: 31.3670 USE_EVALUE, weight: 0.4665 eval: 18.5920 min: 0.0000 max: 31.3670 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 31.3670 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 31.3670 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 31.3670 USE_EVALUE, weight: 0.4049 eval: 20.7390 min: 0.0000 max: 31.3670 USE_EVALUE, weight: 0.4049 eval: 20.7390 min: 0.0000 max: 31.3670 USE_EVALUE, weight: 0.4049 eval: 20.7390 min: 0.0000 max: 31.3670 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 31.3670 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 31.3670 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 31.3670 Number of contacts in models: 254 Number of contacts in alignments: 65 NUMB_ALIGNS: 65 Adding 3786 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: -186.4545, CN propb: -186.4545 weights: 0.5789 constraints: 184 # command:Found ConstraintSet # PrintContacts align.constraints_meta03 Number of constraints in align3.constraints 184 # command:Found ConstraintSet # PrintContacts align_bonus.constraints_meta03 Number of constraints in align3.constraints.bonus 184 # command:Found ConstraintSet # PrintContacts rejected.constraints_meta03 Number of constraints in rejected3.constraints 3602 # command:Found ConstraintSet # PrintContacts rejected_bonus.constraints_meta03 Number of constraints in rejected3.constraints.bonus 3602 # 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 3786 # command: