# 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/T0375/ # command:# Making conformation for sequence T0375 numbered 1 through 296 Created new target T0375 from T0375.a2m # command:# Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0375/ # command:Warning: Couldn't open file /projects/compbio/experiments/protein-predict/casp7/T0375//projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0375/manyalignments-good-all.under or /projects/compbio/experiments/protein-predict/casp7/T0375//projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0375/manyalignments-good-all.under.gz for input Trying /projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0375/manyalignments-good-all.under # reading script from file /projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0375/manyalignments-good-all.under # Reading fragments from alignment file # Attempting to read fragment alignments from file 1hdoA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0375 read from 1hdoA/merged-good-all-a2m # 1hdoA read from 1hdoA/merged-good-all-a2m # found chain 1hdoA in training set Warning: unaligning (T0375)K172 because of BadResidue code BAD_PEPTIDE in next template residue (1hdoA)V121 Warning: unaligning (T0375)P173 because of BadResidue code BAD_PEPTIDE at template residue (1hdoA)V121 Warning: unaligning (T0375)R212 because of BadResidue code BAD_PEPTIDE in next template residue (1hdoA)G143 Warning: unaligning (T0375)V213 because of BadResidue code BAD_PEPTIDE at template residue (1hdoA)G143 T0375 2 :SQILCVG 1hdoA 4 :KKIAIFG # choosing archetypes in rotamer library T0375 63 :PGHVADFVLDDLRRYSVDLRYTVFQTTGS 1hdoA 12 :TGQTGLTTLAQAVQAGYEVTVLVRDSSRL T0375 101 :EASGSRTILYYDR 1hdoA 41 :PSEGPRPAHVVVG T0375 114 :SL 1hdoA 55 :VL T0375 119 :SATDFEKV 1hdoA 57 :QAADVDKT T0375 128 :LTQFKWIHIEGRNASEQ 1hdoA 65 :VAGQDAVIVLLGTRNDL T0375 145 :VKMLQRIDAHNTRQPPEQKIRVSVEV 1hdoA 92 :RNIVAAMKAHGVDKVVACTSAFLLWD T0375 171 :E 1hdoA 119 :T T0375 174 :REELFQLFG 1hdoA 122 :PPRLQAVTD T0375 201 :SAEEALRGLYG 1hdoA 131 :DHIRMHKVLRE T0375 216 :GAVLVCAWAE 1hdoA 144 :LKYVAVMPPH T0375 226 :EGADALG 1hdoA 161 :GAYTVTL T0375 234 :DGK 1hdoA 168 :DGR T0375 244 :PPPRVVDT 1hdoA 171 :GPSRVISK T0375 277 :RFGCQVAGKKCGLQ 1hdoA 179 :HDLGHFMLRCLTTD Number of specific fragments extracted= 15 number of extra gaps= 2 total=15 Number of alignments=1 # 1hdoA read from 1hdoA/merged-good-all-a2m # found chain 1hdoA in training set Warning: unaligning (T0375)R212 because of BadResidue code BAD_PEPTIDE in next template residue (1hdoA)G143 Warning: unaligning (T0375)G216 because of BadResidue code BAD_PEPTIDE at template residue (1hdoA)G143 T0375 2 :SQILCVG 1hdoA 4 :KKIAIFG T0375 38 :GGNASNSCTILSLLGAPCAFMGS 1hdoA 13 :GQTGLTTLAQAVQAGYEVTVLVR T0375 61 :MAPG 1hdoA 40 :LPSE T0375 78 :SVDLRYTVFQT 1hdoA 44 :GPRPAHVVVGD T0375 114 :SL 1hdoA 55 :VL T0375 119 :SATDFEKV 1hdoA 57 :QAADVDKT T0375 128 :LTQFKWIHIEGRNAS 1hdoA 65 :VAGQDAVIVLLGTRN T0375 143 :EQVKMLQRIDAHNTRQPPEQKIRVSVEV 1hdoA 90 :GARNIVAAMKAHGVDKVVACTSAFLLWD T0375 171 :EKPREELFQLF 1hdoA 123 :PRLQAVTDDHI T0375 204 :EALRGLYG 1hdoA 134 :RMHKVLRE T0375 217 :AVLVCAWAE 1hdoA 144 :LKYVAVMPP T0375 226 :EGADALG 1hdoA 161 :GAYTVTL T0375 234 :DG 1hdoA 168 :DG T0375 241 :D 1hdoA 170 :R T0375 244 :PPPRVVD 1hdoA 171 :GPSRVIS T0375 276 :LRFGCQVAGKKCGLQGF 1hdoA 178 :KHDLGHFMLRCLTTDEY Number of specific fragments extracted= 16 number of extra gaps= 1 total=31 Number of alignments=2 # 1hdoA read from 1hdoA/merged-good-all-a2m # found chain 1hdoA in training set Warning: unaligning (T0375)R214 because of BadResidue code BAD_PEPTIDE in next template residue (1hdoA)G143 Warning: unaligning (T0375)K215 because of BadResidue code BAD_PEPTIDE at template residue (1hdoA)G143 T0375 2 :SQILCVGL 1hdoA 4 :KKIAIFGA T0375 37 :RGGNASNSCTILSLLGAPCAFMGSMA 1hdoA 12 :TGQTGLTTLAQAVQAGYEVTVLVRDS T0375 82 :RYT 1hdoA 38 :SRL T0375 100 :NEASGSRTILYYDRS 1hdoA 41 :PSEGPRPAHVVVGDV T0375 118 :VSATDFEK 1hdoA 56 :LQAADVDK T0375 127 :DLTQFKWIHIEGRNASE 1hdoA 64 :TVAGQDAVIVLLGTRND T0375 144 :QVKMLQRIDAHNTRQPPEQKIRVSVEVE 1hdoA 89 :EGARNIVAAMKAHGVDKVVACTSAFLLW T0375 172 :KPREELFQLF 1hdoA 124 :RLQAVTDDHI T0375 206 :LRGLYGRV 1hdoA 134 :RMHKVLRE T0375 216 :GAVLVCA 1hdoA 144 :LKYVAVM Number of specific fragments extracted= 10 number of extra gaps= 1 total=41 Number of alignments=3 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2ax3A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2ax3A expands to /projects/compbio/data/pdb/2ax3.pdb.gz 2ax3A:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 802, because occupancy 0.5 <= existing 0.500 in 2ax3A Skipped atom 804, because occupancy 0.500 <= existing 0.500 in 2ax3A Skipped atom 806, because occupancy 0.500 <= existing 0.500 in 2ax3A Skipped atom 808, because occupancy 0.500 <= existing 0.500 in 2ax3A Skipped atom 810, because occupancy 0.500 <= existing 0.500 in 2ax3A Skipped atom 812, because occupancy 0.500 <= existing 0.500 in 2ax3A Skipped atom 814, because occupancy 0.500 <= existing 0.500 in 2ax3A Skipped atom 816, because occupancy 0.500 <= existing 0.500 in 2ax3A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1696, because occupancy 0.500 <= existing 0.500 in 2ax3A Skipped atom 1698, because occupancy 0.500 <= existing 0.500 in 2ax3A Skipped atom 1700, because occupancy 0.500 <= existing 0.500 in 2ax3A Skipped atom 1702, because occupancy 0.500 <= existing 0.500 in 2ax3A Skipped atom 1704, because occupancy 0.500 <= existing 0.500 in 2ax3A Skipped atom 1706, because occupancy 0.500 <= existing 0.500 in 2ax3A Skipped atom 1708, because occupancy 0.500 <= existing 0.500 in 2ax3A Skipped atom 1710, because occupancy 0.500 <= existing 0.500 in 2ax3A Skipped atom 1712, because occupancy 0.500 <= existing 0.500 in 2ax3A Skipped atom 1714, because occupancy 0.500 <= existing 0.500 in 2ax3A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2139, because occupancy 0.400 <= existing 0.600 in 2ax3A Skipped atom 2143, because occupancy 0.400 <= existing 0.600 in 2ax3A Skipped atom 2145, because occupancy 0.400 <= existing 0.600 in 2ax3A Skipped atom 2147, because occupancy 0.400 <= existing 0.600 in 2ax3A Skipped atom 2149, because occupancy 0.400 <= existing 0.600 in 2ax3A Skipped atom 2282, because occupancy 0.400 <= existing 0.600 in 2ax3A Skipped atom 2286, because occupancy 0.400 <= existing 0.600 in 2ax3A Skipped atom 2288, because occupancy 0.400 <= existing 0.600 in 2ax3A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 3191, because occupancy 0.500 <= existing 0.500 in 2ax3A Skipped atom 3195, because occupancy 0.500 <= existing 0.500 in 2ax3A Skipped atom 3197, because occupancy 0.500 <= existing 0.500 in 2ax3A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 3535, because occupancy 0.500 <= existing 0.500 in 2ax3A Skipped atom 3539, because occupancy 0.500 <= existing 0.500 in 2ax3A Skipped atom 3541, because occupancy 0.500 <= existing 0.500 in 2ax3A # T0375 read from 2ax3A/merged-good-all-a2m # 2ax3A read from 2ax3A/merged-good-all-a2m # adding 2ax3A to template set # found chain 2ax3A in template set T0375 1 :GSQILCVG 2ax3A 40 :DYRFLVLC T0375 38 :GGNASNSCTILSLL 2ax3A 49 :GGNNGGDGFVVARN T0375 52 :GAPCAFMGSMAPG 2ax3A 66 :VVKDVLVVFLGKK T0375 65 :HVADFVLDDLRRYSVDL 2ax3A 81 :PDCEYNYGLYKKFGGKV T0375 87 :QTT 2ax3A 98 :VEQ T0375 123 :FEKVDLTQFKWIHIEGRN 2ax3A 101 :FEPSILNEFDVVVDAIFG T0375 141 :ASEQVKMLQRIDAHNTRQ 2ax3A 126 :TGEYAEIINLVNKSGKVV T0375 159 :PPEQ 2ax3A 145 :SVDV T0375 163 :KIRVSVE 2ax3A 155 :NTGKVLR T0375 171 :E 2ax3A 199 :P T0375 175 :E 2ax3A 200 :V T0375 179 :QLFGYGDVVFVSKDVAKHL 2ax3A 201 :HLINSINRYVITREMVRSL T0375 198 :GF 2ax3A 222 :ER T0375 200 :QS 2ax3A 226 :DS T0375 212 :RVRKGAVLVCAWAE 2ax3A 229 :KGTYGKVLIIAGSR T0375 234 :DGKLLHSDA 2ax3A 411 :GEKTLFNIT T0375 245 :PPRVVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCGLQGFD 2ax3A 420 :GNTGLSKGGSGDVLTGMIAGFIAQGLSPLEASTVSVYLHGFAAELFEQD Number of specific fragments extracted= 17 number of extra gaps= 0 total=58 Number of alignments=4 # 2ax3A read from 2ax3A/merged-good-all-a2m # found chain 2ax3A in template set Warning: unaligning (T0375)E161 because of BadResidue code BAD_PEPTIDE in next template residue (2ax3A)A343 Warning: unaligning (T0375)Q162 because of BadResidue code BAD_PEPTIDE at template residue (2ax3A)A343 Warning: unaligning (T0375)V189 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2ax3A)H366 Warning: unaligning (T0375)S190 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2ax3A)H366 T0375 2 :SQILCVGLV 2ax3A 233 :GKVLIIAGS T0375 35 :WQRGGNASNSCTILSLLGAP 2ax3A 242 :RLYSGAPVLSGMGSLKVGTG T0375 55 :CAFMGSMAPGHVA 2ax3A 263 :VKLAVPFPQNLIA T0375 75 :RRY 2ax3A 276 :TSR T0375 78 :S 2ax3A 281 :E T0375 81 :LRYTVFQTTG 2ax3A 282 :LISVPIDTEK T0375 116 :PDVSATDFEKVD 2ax3A 292 :GFFSLQNLQECL T0375 128 :LTQFKWIHIEGRNA 2ax3A 306 :SKDVDVVAIGPGLG T0375 142 :SEQVKMLQRIDAH 2ax3A 322 :EHVREFVNEFLKT T0375 155 :NTRQPP 2ax3A 336 :EKPAVI T0375 163 :KIRVSV 2ax3A 344 :DAINVL T0375 173 :PREELFQLFGYG 2ax3A 350 :DTSVLKERKSPA T0375 186 :VVF 2ax3A 362 :VLT T0375 191 :KDVAKHL 2ax3A 367 :PGEMARL T0375 198 :GFQ 2ax3A 375 :KKT T0375 201 :SAEEALRGLYGR 2ax3A 384 :NYELAEEFAKEN T0375 216 :GAVLVCA 2ax3A 396 :DCVLVLK T0375 225 :EEGADALGPD 2ax3A 403 :SATTIVTDGE T0375 236 :KLLHSDAF 2ax3A 413 :KTLFNITG T0375 246 :PRVVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCGLQGFDG 2ax3A 421 :NTGLSKGGSGDVLTGMIAGFIAQGLSPLEASTVSVYLHGFAAELFEQDE Number of specific fragments extracted= 20 number of extra gaps= 2 total=78 Number of alignments=5 # 2ax3A read from 2ax3A/merged-good-all-a2m # found chain 2ax3A in template set Warning: unaligning (T0375)K163 because of BadResidue code BAD_PEPTIDE in next template residue (2ax3A)A343 Warning: unaligning (T0375)I164 because of BadResidue code BAD_PEPTIDE at template residue (2ax3A)A343 Warning: unaligning (T0375)V189 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2ax3A)H366 Warning: unaligning (T0375)S190 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2ax3A)H366 T0375 2 :SQILCVG 2ax3A 233 :GKVLIIA T0375 33 :QRWQRGGNASNSCTILSLLGA 2ax3A 240 :GSRLYSGAPVLSGMGSLKVGT T0375 54 :PCAFMGSMAPGH 2ax3A 262 :LVKLAVPFPQNL T0375 73 :DLRRY 2ax3A 274 :IATSR T0375 78 :SVDLRYTVFQTTGS 2ax3A 281 :ELISVPIDTEKGFF T0375 111 :Y 2ax3A 295 :S T0375 116 :PDVSATD 2ax3A 296 :LQNLQEC T0375 125 :KVDLTQFKWIHIEGRNASE 2ax3A 303 :LELSKDVDVVAIGPGLGNN T0375 144 :QVKMLQRIDAHNTRQPPEQ 2ax3A 323 :HVREFVNEFLKTLEKPAVI T0375 165 :RVSVEVE 2ax3A 344 :DAINVLD T0375 174 :REELFQ 2ax3A 351 :TSVLKE T0375 181 :FGYGDVVF 2ax3A 357 :RKSPAVLT T0375 191 :KDVAKHLGFQSAEE 2ax3A 367 :PGEMARLVKKTVGD T0375 205 :ALRGLYGRVRKG 2ax3A 386 :ELAEEFAKENDC T0375 220 :VCAWAEEGADALGPDG 2ax3A 398 :VLVLKSATTIVTDGEK T0375 238 :LHSDAF 2ax3A 414 :TLFNIT T0375 245 :PPRVVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCGL 2ax3A 420 :GNTGLSKGGSGDVLTGMIAGFIAQGLSPLEASTVSVYLHGFAAEL Number of specific fragments extracted= 17 number of extra gaps= 2 total=95 Number of alignments=6 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1c3qA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1c3qA expands to /projects/compbio/data/pdb/1c3q.pdb.gz 1c3qA:# T0375 read from 1c3qA/merged-good-all-a2m # 1c3qA read from 1c3qA/merged-good-all-a2m # adding 1c3qA to template set # found chain 1c3qA in template set T0375 41 :ASNSCTILSLL 1c3qA 6 :AAKCLTAVRRH T0375 54 :PCAFMGSMA 1c3qA 17 :SPLVHSITN T0375 64 :GHVADFVLDDLRRYSVDL 1c3qA 26 :NVVTNFTANGLLALGASP T0375 84 :TVF 1c3qA 44 :VMA T0375 118 :VSATDFEK 1c3qA 47 :YAKEEVAD T0375 127 :DLTQFKWIHIE 1c3qA 55 :MAKIAGALVLN T0375 138 :GRNASEQ 1c3qA 67 :GTLSKES T0375 145 :VKMLQRIDAHNTRQPPEQ 1c3qA 78 :IIAGKSANEHGVPVILDP T0375 163 :KIRV 1c3qA 97 :GAGA T0375 170 :VEKPREELFQLFGY 1c3qA 101 :TPFRTESARDIIRE T0375 184 :GDVVFVSKDVAKHL 1c3qA 117 :LAAIRGNAAEIAHT T0375 198 :GF 1c3qA 132 :GV T0375 200 :QSAEEALRGLYGRV 1c3qA 148 :GDIIRLAQQAAQKL T0375 215 :K 1c3qA 162 :N T0375 217 :AVLVCAW 1c3qA 163 :TVIAITG T0375 226 :EGADALG 1c3qA 170 :EVDVIAD T0375 234 :DGKLLHSDAF 1c3qA 177 :TSHVYTLHNG T0375 245 :PPRVVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCG 1c3qA 187 :HKLLTKVTGAGCLLTSVVGAFCAVEENPLFAAIAAISSYGVAAQ Number of specific fragments extracted= 18 number of extra gaps= 0 total=113 Number of alignments=7 # 1c3qA read from 1c3qA/merged-good-all-a2m # found chain 1c3qA in template set T0375 40 :NASNSCTILSLL 1c3qA 5 :SAAKCLTAVRRH T0375 54 :PCAFMGSMAP 1c3qA 17 :SPLVHSITNN T0375 65 :HVADFVLDDLRRYSVDLRY 1c3qA 27 :VVTNFTANGLLALGASPVM T0375 117 :DVSATDFEK 1c3qA 46 :AYAKEEVAD T0375 127 :DLTQFKWIHIEGRNA 1c3qA 55 :MAKIAGALVLNIGTL T0375 142 :S 1c3qA 71 :K T0375 143 :EQVKMLQRIDAHNTRQPPEQ 1c3qA 76 :AMIIAGKSANEHGVPVILDP T0375 163 :KIRVS 1c3qA 97 :GAGAT T0375 171 :EKPREELFQLFGY 1c3qA 102 :PFRTESARDIIRE T0375 184 :GDVVFVSKDVAKHL 1c3qA 117 :LAAIRGNAAEIAHT T0375 198 :GFQ 1c3qA 132 :GVT T0375 201 :S 1c3qA 147 :G T0375 203 :EEALRGLYGRVRK 1c3qA 148 :GDIIRLAQQAAQK T0375 216 :GAVLVCAW 1c3qA 162 :NTVIAITG T0375 226 :EGADALGPD 1c3qA 170 :EVDVIADTS T0375 236 :KLLHSDAF 1c3qA 179 :HVYTLHNG T0375 245 :PPRVVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCG 1c3qA 187 :HKLLTKVTGAGCLLTSVVGAFCAVEENPLFAAIAAISSYGVAAQ Number of specific fragments extracted= 17 number of extra gaps= 0 total=130 Number of alignments=8 # 1c3qA read from 1c3qA/merged-good-all-a2m # found chain 1c3qA in template set T0375 40 :NASNSCTILSLLGAPCAFMGS 1c3qA 5 :SAAKCLTAVRRHSPLVHSITN T0375 64 :GHVADFVLDDLRRYSVDLRYTVFQTT 1c3qA 26 :NVVTNFTANGLLALGASPVMAYAKEE T0375 124 :EKVDLTQFKWIHIEGRNASE 1c3qA 52 :VADMAKIAGALVLNIGTLSK T0375 144 :QVKMLQRIDAHNTRQPPEQKIRVSVEVEKPREELFQLFG 1c3qA 75 :EAMIIAGKSANEHGVPVILDPVGAGATPFRTESARDIIR T0375 183 :YGDVVFVSKDVAKHLGFQ 1c3qA 116 :RLAAIRGNAAEIAHTVGV T0375 205 :ALRGLYGRVRKG 1c3qA 152 :RLAQQAAQKLNT T0375 218 :VLVCA 1c3qA 164 :VIAIT T0375 225 :EEGADALGPDGKLLHSDAFP 1c3qA 169 :GEVDVIADTSHVYTLHNGHK T0375 250 :DTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCG 1c3qA 192 :KVTGAGCLLTSVVGAFCAVEENPLFAAIAAISSYGVAAQ Number of specific fragments extracted= 9 number of extra gaps= 0 total=139 Number of alignments=9 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2d13A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2d13A expands to /projects/compbio/data/pdb/2d13.pdb.gz 2d13A:# T0375 read from 2d13A/merged-good-all-a2m # 2d13A read from 2d13A/merged-good-all-a2m # adding 2d13A to template set # found chain 2d13A in template set Warning: unaligning (T0375)G64 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (2d13A)N51 Warning: unaligning (T0375)F86 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (2d13A)E74 Warning: unaligning (T0375)T89 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (2d13A)E74 T0375 2 :SQILCVG 2d13A 5 :ADVAVLY T0375 37 :RGGNASNSCTILSLL 2d13A 12 :SGGKDSNYALYWALK T0375 52 :GAPC 2d13A 28 :GLRV T0375 56 :AFMGSMAP 2d13A 33 :YLVSMVSE T0375 65 :HVADFVLDDL 2d13A 53 :ELTSLQARAL T0375 78 :SVDLRYTV 2d13A 63 :GIPIIKGF T0375 103 :SGS 2d13A 75 :KEK T0375 120 :ATDFEKVDLT 2d13A 79 :VEDLKNVLEG T0375 130 :QFKWIHIEGRNASEQVKML 2d13A 90 :KVDGIVAGALASRYQKERI T0375 149 :QRIDAHNTRQP 2d13A 110 :NVARELGLKVY T0375 166 :VSVEVEKPREELFQLFGY 2d13A 121 :TPAWEKDPYQYMLEIIKL T0375 189 :VSKDVAKHL 2d13A 161 :LNYKNLEEL T0375 207 :RGLYGRV 2d13A 171 :KLSEKYG T0375 216 :GA 2d13A 178 :IH T0375 223 :WAEEG 2d13A 181 :AGEGG T0375 228 :ADALG 2d13A 187 :FETFV T0375 238 :LHSDAF 2d13A 192 :LDMPFF T0375 245 :PPRVV 2d13A 198 :KAKIV Number of specific fragments extracted= 18 number of extra gaps= 0 total=157 Number of alignments=10 # 2d13A read from 2d13A/merged-good-all-a2m # found chain 2d13A in template set Warning: unaligning (T0375)G64 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (2d13A)N51 Warning: unaligning (T0375)Q87 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (2d13A)E74 Warning: unaligning (T0375)E101 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (2d13A)E74 T0375 2 :SQILCV 2d13A 5 :ADVAVL T0375 36 :QRGGNASNSCTI 2d13A 11 :YSGGKDSNYALY T0375 48 :LSLLGAPC 2d13A 24 :ALKSGLRV T0375 56 :AFMGSMAP 2d13A 33 :YLVSMVSE T0375 65 :HVADFVLDDL 2d13A 53 :ELTSLQARAL T0375 78 :SVDL 2d13A 63 :GIPI T0375 83 :YTVF 2d13A 67 :IKGF T0375 102 :ASG 2d13A 75 :KEK T0375 120 :ATDFEKVDLT 2d13A 79 :VEDLKNVLEG T0375 130 :QFKWIHIEGRNAS 2d13A 90 :KVDGIVAGALASR T0375 143 :EQVKMLQRIDAHNTRQPPEQ 2d13A 104 :QKERIENVARELGLKVYTPA T0375 169 :EVEKPREELFQLFGY 2d13A 124 :WEKDPYQYMLEIIKL T0375 189 :VSKD 2d13A 152 :LNES T0375 197 :L 2d13A 156 :W T0375 198 :GFQ 2d13A 158 :GRE T0375 201 :SAEEALR 2d13A 162 :NYKNLEE T0375 209 :LYGRVRK 2d13A 169 :LKKLSEK T0375 216 :GAV 2d13A 177 :GIH T0375 223 :WAEEG 2d13A 181 :AGEGG T0375 228 :ADALG 2d13A 189 :TFVLD T0375 233 :P 2d13A 195 :P Number of specific fragments extracted= 21 number of extra gaps= 0 total=178 Number of alignments=11 # 2d13A read from 2d13A/merged-good-all-a2m # found chain 2d13A in template set Warning: unaligning (T0375)G64 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (2d13A)N51 Warning: unaligning (T0375)Y111 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (2d13A)E74 Warning: unaligning (T0375)S114 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (2d13A)E74 T0375 1 :GSQILCV 2d13A 4 :LADVAVL T0375 36 :QRGGNASNSCTILSLL 2d13A 11 :YSGGKDSNYALYWALK T0375 52 :GAPC 2d13A 28 :GLRV T0375 56 :AFMGSMAP 2d13A 33 :YLVSMVSE T0375 66 :VADFVLDDL 2d13A 54 :LTSLQARAL T0375 103 :SGSRTILY 2d13A 63 :GIPIIKGF T0375 115 :LPDVSATDFEKVDLTQFKWI 2d13A 75 :KEKEVEDLKNVLEGLKVDGI T0375 136 :IEGRNASEQVKMLQRIDAHNTRQPPE 2d13A 95 :VAGALASRYQKERIENVARELGLKVY T0375 167 :SVEVE 2d13A 121 :TPAWE T0375 172 :KPREELFQLFGY 2d13A 127 :DPYQYMLEIIKL T0375 189 :VSKD 2d13A 152 :LNES T0375 197 :LGFQ 2d13A 156 :WLGR T0375 201 :SAEEALRGLYGRV 2d13A 161 :LNYKNLEELKKLS Number of specific fragments extracted= 13 number of extra gaps= 0 total=191 Number of alignments=12 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1gca/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0375 read from 1gca/merged-good-all-a2m # 1gca read from 1gca/merged-good-all-a2m # found chain 1gca in training set T0375 55 :CAFMGSMA 1gca 3 :TRIGVTIY T0375 63 :PGHVADFVLDDLRRY 1gca 13 :DDNFMSVVRKAIEKD T0375 80 :DLRYTVFQT 1gca 33 :DVQLLMNDS T0375 103 :SGS 1gca 42 :QND T0375 120 :ATDFEKVDLTQFKWIHIEGRNASEQVKMLQRIDAHNTRQPPEQK 1gca 49 :NDQIDVLLAKGVKALAINLVDPAAAGTVIEKARGQNVPVVFFNK T0375 172 :KPREELFQLFGYGDVVFVSKDVAKHL 1gca 93 :EPSRKALDSYDKAYYVGTDSKESGVI T0375 203 :EEALRGLYGRVRK 1gca 120 :GDLIAKHWQANQG T0375 216 :GAVLVCAWAEE 1gca 141 :IQYVLLKGEPG T0375 245 :PPRVVDTLGAGDTFNASVIFSL 1gca 201 :ANKIEVVIANNDAMAMGAVEAL T0375 267 :SQG 1gca 224 :AHN T0375 270 :RSVQEALRFGCQVAGKKCGLQGFD 1gca 256 :NDANNQAKATFDLAKNLAEGKGAA T0375 294 :G 1gca 281 :G Number of specific fragments extracted= 12 number of extra gaps= 0 total=203 Number of alignments=13 # 1gca read from 1gca/merged-good-all-a2m # found chain 1gca in training set T0375 54 :PCAFMGSMAPGHVADFVLDDLRRY 1gca 4 :RIGVTIYKYDDNFMSVVRKAIEKD T0375 78 :S 1gca 33 :D T0375 81 :LRYTVFQTT 1gca 34 :VQLLMNDSQ T0375 104 :GS 1gca 43 :ND T0375 120 :ATDFEKVDLTQFKWIHIEGRNASEQVKMLQRIDAHNTRQPPEQ 1gca 49 :NDQIDVLLAKGVKALAINLVDPAAAGTVIEKARGQNVPVVFFN T0375 171 :EKPREELFQLF 1gca 113 :KESGVIQGDLI T0375 184 :GDVVFVS 1gca 141 :IQYVLLK T0375 191 :KDVAKHLGFQ 1gca 163 :VKELNDKGIQ T0375 201 :SAEEALRGLYGRVRK 1gca 184 :DTAQAKDKMDAWLSG T0375 216 :GAVLVCAWA 1gca 203 :KIEVVIANN T0375 256 :DTFNASVIFSL 1gca 212 :DAMAMGAVEAL T0375 267 :SQGR 1gca 246 :KSGA T0375 271 :SVQEALRFGCQVAGKKCGLQGFDGI 1gca 257 :DANNQAKATFDLAKNLAEGKGAADG Number of specific fragments extracted= 13 number of extra gaps= 0 total=216 Number of alignments=14 # 1gca read from 1gca/merged-good-all-a2m # found chain 1gca in training set T0375 54 :PCAFMGSMAPGHVADFVLDDLRRY 1gca 4 :RIGVTIYKYDDNFMSVVRKAIEKD T0375 78 :SVDLRYTVFQTT 1gca 33 :DVQLLMNDSQND T0375 116 :PDVSATDFEKVDLTQFKWIHIEGRNA 1gca 45 :QSKQNDQIDVLLAKGVKALAINLVDP T0375 144 :QVKMLQRIDAHNTRQPPEQKIRVS 1gca 71 :AAAGTVIEKARGQNVPVVFFNKEP T0375 174 :REELFQLFGYGDVVFVSKDVAKHLGFQ 1gca 95 :SRKALDSYDKAYYVGTDSKESGVIQGD T0375 215 :KGAVLVCAWAEE 1gca 140 :KIQYVLLKGEPG T0375 235 :G 1gca 152 :H T0375 244 :PPPRVVDTL 1gca 202 :NKIEVVIAN T0375 255 :GDTFNASVIFSL 1gca 211 :NDAMAMGAVEAL T0375 270 :RSVQEALRFGCQVAGKKCGLQGF 1gca 256 :NDANNQAKATFDLAKNLAEGKGA Number of specific fragments extracted= 10 number of extra gaps= 0 total=226 Number of alignments=15 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2abqA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2abqA expands to /projects/compbio/data/pdb/2abq.pdb.gz 2abqA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # T0375 read from 2abqA/merged-good-all-a2m # 2abqA read from 2abqA/merged-good-all-a2m # adding 2abqA to template set # found chain 2abqA in template set T0375 4 :ILCVG 2abqA 2 :IYTVT T0375 9 :LVVLDVISLVDKY 2abqA 8 :NPSIDYIVQVENF T0375 23 :KEDSEIRCLSQRWQRGGNASNSCTILSLLGAPCAFMGSMA 2abqA 21 :QQGVVNRSERDRKQPGGKGINVSRVLKRLGHETKALGFLG T0375 64 :GHVADFVLDDLRRYSVDLRYTVF 2abqA 61 :GFTGAYVRNALEKEEIGLSFIEV T0375 89 :TGSVPIATVIIN 2abqA 84 :EGDTRINVKIKG T0375 103 :SGSRTI 2abqA 96 :KQETEL T0375 112 :DRSLPDVSATDFEKVD 2abqA 102 :NGTAPLIKKEHVQALL T0375 128 :LTQF 2abqA 120 :LTEL T0375 132 :KWIHIEGRNASEQ 2abqA 127 :DVLVLAGSVPQAM T0375 145 :VKMLQRIDAHNTRQPPEQK 2abqA 145 :RSMTQIAKERGAFVAVDTS T0375 174 :REELFQLFGY 2abqA 164 :GEALHEVLAA T0375 184 :GDVVFVSKDVAKHL 2abqA 175 :PSFIKPNHHELSEL T0375 198 :GF 2abqA 190 :SK T0375 200 :QSAEEA 2abqA 194 :ASIEDA T0375 206 :LRGLYGRV 2abqA 203 :VQRLIGEG T0375 216 :GAVLVCAWAEEGADALG 2abqA 211 :IESILVSFAGDGALFAS T0375 234 :DGKLLHSDAF 2abqA 228 :AEGMFHVNVP T0375 245 :PPRVVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCGLQGF 2abqA 238 :SGEVRNSVGAGDSVVAGFLAALQEGKSLEDAVPFAVAAGSATAFSDGF Number of specific fragments extracted= 18 number of extra gaps= 0 total=244 Number of alignments=16 # 2abqA read from 2abqA/merged-good-all-a2m # found chain 2abqA in template set T0375 4 :ILCVG 2abqA 2 :IYTVT T0375 9 :LVVLDVISLVDK 2abqA 8 :NPSIDYIVQVEN T0375 22 :PKEDSEIRCLSQRWQRGGNASNSCTILSLLGAPCAFMGSMAP 2abqA 20 :FQQGVVNRSERDRKQPGGKGINVSRVLKRLGHETKALGFLGG T0375 65 :HVADFVLDDLRRYSVDLRYTVF 2abqA 62 :FTGAYVRNALEKEEIGLSFIEV T0375 89 :TGSVPIATVII 2abqA 84 :EGDTRINVKIK T0375 102 :ASGSR 2abqA 95 :GKQET T0375 110 :YYDRSLPDVSATDFEKVD 2abqA 100 :ELNGTAPLIKKEHVQALL T0375 128 :LTQF 2abqA 120 :LTEL T0375 132 :KWIHIEGRNAS 2abqA 127 :DVLVLAGSVPQ T0375 143 :EQVKMLQRIDAHNTRQPPEQK 2abqA 143 :IYRSMTQIAKERGAFVAVDTS T0375 174 :REELFQLF 2abqA 164 :GEALHEVL T0375 182 :GYGDVVFVSKDVAKHL 2abqA 173 :AKPSFIKPNHHELSEL T0375 198 :GFQ 2abqA 190 :SKP T0375 201 :SAEEALRGLYGRVRKGA 2abqA 195 :SIEDAIPHVQRLIGEGI T0375 218 :VLVCAWAEEGADALGPD 2abqA 213 :SILVSFAGDGALFASAE T0375 236 :KLLHSDAF 2abqA 230 :GMFHVNVP T0375 245 :PPRVVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCGLQGF 2abqA 238 :SGEVRNSVGAGDSVVAGFLAALQEGKSLEDAVPFAVAAGSATAFSDGF Number of specific fragments extracted= 17 number of extra gaps= 0 total=261 Number of alignments=17 # 2abqA read from 2abqA/merged-good-all-a2m # found chain 2abqA in template set T0375 4 :ILCVGLVVLDVISLVDK 2abqA 3 :YTVTLNPSIDYIVQVEN T0375 22 :PKEDSEIRCLSQRWQRGGNASNSCTILSLLGAPCAFMGSMA 2abqA 20 :FQQGVVNRSERDRKQPGGKGINVSRVLKRLGHETKALGFLG T0375 64 :GHVADFVLDDLRRYSVDLRYTVFQTTGSVPIATV 2abqA 61 :GFTGAYVRNALEKEEIGLSFIEVEGDTRINVKIK T0375 101 :EASGSRTIL 2abqA 95 :GKQETELNG T0375 114 :SLPDVSATDFEKV 2abqA 104 :TAPLIKKEHVQAL T0375 127 :DLTQFK 2abqA 119 :QLTELE T0375 133 :WIHIEGRNASE 2abqA 127 :DVLVLAGSVPQ T0375 144 :QVKMLQRIDAHNTRQPPEQKIR 2abqA 142 :TIYRSMTQIAKERGAFVAVDTS T0375 174 :REELFQLF 2abqA 164 :GEALHEVL T0375 182 :GYGDVVFVSKDVAKHLGFQ 2abqA 173 :AKPSFIKPNHHELSELVSK T0375 201 :S 2abqA 194 :A T0375 202 :AEEALRGLYGRVRKGAVLVCAWAEEGADALGPDG 2abqA 197 :EDAIPHVQRLIGEGIESILVSFAGDGALFASAEG T0375 238 :LHSDAFPPPRVVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCGLQGF 2abqA 231 :MFHVNVPSGEVRNSVGAGDSVVAGFLAALQEGKSLEDAVPFAVAAGSATAFSDGF Number of specific fragments extracted= 13 number of extra gaps= 0 total=274 Number of alignments=18 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1tyyA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1tyyA expands to /projects/compbio/data/pdb/1tyy.pdb.gz 1tyyA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # T0375 read from 1tyyA/merged-good-all-a2m # 1tyyA read from 1tyyA/merged-good-all-a2m # adding 1tyyA to template set # found chain 1tyyA in template set Warning: unaligning (T0375)S2 because first residue in template chain is (1tyyA)N5 Warning: unaligning (T0375)I98 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1tyyA)S98 Warning: unaligning (T0375)T107 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1tyyA)S98 T0375 3 :QILCVGLVVLDVISL 1tyyA 6 :KVWVIGDASVDLVPE T0375 23 :KED 1tyyA 21 :KQN T0375 32 :SQRWQRGGNASNSCTILSLLGAPCAFMGSMAPGHVADFVLDDLRRYSVDLRYTVFQTTGSVPIATV 1tyyA 24 :SYLKCPGGASANVGVCVARLGGECGFIGCLGDDDAGRFLRQVFQDNGVDVTFLRLDADLTSAVLIV T0375 108 :ILYYDR 1tyyA 99 :FTYLVH T0375 114 :SLPDVSATDFEK 1tyyA 107 :ADTYVSPQDLPP T0375 128 :LTQFKWIHIE 1tyyA 119 :FRQYEWFYFS T0375 140 :NASEQ 1tyyA 133 :TDRPA T0375 145 :VKMLQRIDAHNTRQPPEQKIRVSVEV 1tyyA 142 :LEGARRMREAGGYVLFDVNLRSKMWG T0375 171 :EKPREELFQLFGYGDVVFVSKDVAKHL 1tyyA 170 :DEIPELIARSAALASICKVSADELCQL T0375 198 :GFQSA 1tyyA 198 :GASHW T0375 208 :GLYGRV 1tyyA 208 :YLRDLG T0375 216 :GAVLVCAWAEEGADALG 1tyyA 214 :CDTTIISLGADGALLIT T0375 234 :DGKLLHSDAF 1tyyA 231 :AEGEFHFPAP T0375 245 :PPRVVDTLGAGDTFNASVIFSLSQ 1tyyA 241 :RVDVVDTTGAGDAFVGGLLFTLSR T0375 269 :GRS 1tyyA 267 :CWD T0375 272 :VQEALRFGCQVAGKKCGLQGFD 1tyyA 273 :LAEAISNANACGAMAVTAKGAM Number of specific fragments extracted= 16 number of extra gaps= 0 total=290 Number of alignments=19 # 1tyyA read from 1tyyA/merged-good-all-a2m # found chain 1tyyA in template set Warning: unaligning (T0375)S2 because first residue in template chain is (1tyyA)N5 Warning: unaligning (T0375)I98 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1tyyA)S98 Warning: unaligning (T0375)T107 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1tyyA)S98 T0375 3 :QILCVGLVVLDVISLVDK 1tyyA 6 :KVWVIGDASVDLVPEKQN T0375 32 :SQRWQRGGNASNSCTILSLLGAPCAFMGSMAPGHVADFVLDDLRRYSVDLRYTVFQTTGSVPIATV 1tyyA 24 :SYLKCPGGASANVGVCVARLGGECGFIGCLGDDDAGRFLRQVFQDNGVDVTFLRLDADLTSAVLIV T0375 108 :ILYYDR 1tyyA 99 :FTYLVH T0375 114 :SLPDVSATDFEK 1tyyA 107 :ADTYVSPQDLPP T0375 128 :LTQFKWIHIE 1tyyA 119 :FRQYEWFYFS T0375 140 :NAS 1tyyA 133 :TDR T0375 143 :EQVKMLQRIDAHNTRQPPEQKIRVSVEV 1tyyA 140 :ACLEGARRMREAGGYVLFDVNLRSKMWG T0375 171 :EKPREELFQLFGYGDVVFVSKDVAKHL 1tyyA 170 :DEIPELIARSAALASICKVSADELCQL T0375 198 :GFQSAEE 1tyyA 198 :GASHWQD T0375 211 :GRVRKGA 1tyyA 208 :YLRDLGC T0375 218 :VLVCAWAEEGADALGPDG 1tyyA 216 :TTIISLGADGALLITAEG T0375 237 :LLHSDAF 1tyyA 234 :EFHFPAP T0375 245 :PPRVVDTLGAGDTFNASVIFSLSQ 1tyyA 241 :RVDVVDTTGAGDAFVGGLLFTLSR T0375 269 :GRS 1tyyA 267 :CWD T0375 272 :VQEALRFGCQVAGKKCGLQGFDGI 1tyyA 273 :LAEAISNANACGAMAVTAKGAMTA Number of specific fragments extracted= 15 number of extra gaps= 0 total=305 Number of alignments=20 # 1tyyA read from 1tyyA/merged-good-all-a2m # found chain 1tyyA in template set Warning: unaligning (T0375)S2 because first residue in template chain is (1tyyA)N5 Warning: unaligning (T0375)I98 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1tyyA)S98 Warning: unaligning (T0375)R106 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1tyyA)S98 T0375 3 :QILCVGLVVLDVISLVDK 1tyyA 6 :KVWVIGDASVDLVPEKQN T0375 32 :SQRWQRGGNASNSCTILSLLGAPCAFMGSMAPGHVADFVLDDLRRYSVDLRYTVFQTTGSVPIATV 1tyyA 24 :SYLKCPGGASANVGVCVARLGGECGFIGCLGDDDAGRFLRQVFQDNGVDVTFLRLDADLTSAVLIV T0375 107 :TILYYDR 1tyyA 99 :FTYLVHP T0375 114 :SLPDVSATDFEK 1tyyA 107 :ADTYVSPQDLPP T0375 128 :LTQFKWIHIEGRNASE 1tyyA 119 :FRQYEWFYFSSIGLTD T0375 144 :QVKMLQRIDAHNTRQPPEQKIRVSVEVE 1tyyA 139 :EACLEGARRMREAGGYVLFDVNLRSKMW T0375 172 :KPREELFQLFGYGDVVFVSKDVAKHLGFQSAEE 1tyyA 171 :EIPELIARSAALASICKVSADELCQLSGASHWQ T0375 211 :GRVRKGAVLVCAWAEEGADALGPDG 1tyyA 209 :LRDLGCDTTIISLGADGALLITAEG T0375 238 :LHSDAFPPPRVVDTLGAGDTFNASVIFSLSQ 1tyyA 234 :EFHFPAPRVDVVDTTGAGDAFVGGLLFTLSR T0375 269 :GRS 1tyyA 267 :CWD T0375 272 :VQEALRFGCQVAGKKCGLQGF 1tyyA 273 :LAEAISNANACGAMAVTAKGA Number of specific fragments extracted= 11 number of extra gaps= 0 total=316 Number of alignments=21 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1dgmA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1dgmA expands to /projects/compbio/data/pdb/1dgm.pdb.gz 1dgmA:Skipped atom 625, because occupancy 0.500 <= existing 0.500 in 1dgmA Skipped atom 627, because occupancy 0.500 <= existing 0.500 in 1dgmA Skipped atom 821, because occupancy 0.500 <= existing 0.500 in 1dgmA Skipped atom 823, because occupancy 0.500 <= existing 0.500 in 1dgmA Skipped atom 825, because occupancy 0.500 <= existing 0.500 in 1dgmA # T0375 read from 1dgmA/merged-good-all-a2m # 1dgmA read from 1dgmA/merged-good-all-a2m # adding 1dgmA to template set # found chain 1dgmA in template set T0375 1 :GSQILCVGLVVLDVISLVD 1dgmA 12 :PMRVFAIGNPILDLVAEVP T0375 22 :PKEDSEI 1dgmA 38 :FLKRGDA T0375 30 :CLSQRWQRGGNASNSCTILSLL 1dgmA 60 :QFNPTSLPGGSALNSVRVVQKL T0375 52 :GAPCAFMGSMAPGHVADFVLDDLRRYSVDLRYTVF 1dgmA 85 :PGSAGYMGAIGDDPRGQVLKELCDKEGLATRFMVA T0375 88 :TTGSVPIATVIIN 1dgmA 120 :PGQSTGVCAVLIN T0375 103 :SGSRTILYYDRSLPDVS 1dgmA 133 :EKERTLCTHLGACGSFR T0375 123 :FE 1dgmA 150 :LP T0375 125 :KVDLTQFKWIHIEGR 1dgmA 155 :TTFASGALIFYATAY T0375 140 :NASEQVKMLQRIDAH 1dgmA 174 :TPKNAFEVAGYAHGI T0375 155 :NTRQPPEQK 1dgmA 190 :NAIFTLNLS T0375 166 :VSVEVEKPREELFQLFGYGDVVFVSKDVAKHL 1dgmA 199 :APFCVELYKDAMQSLLLHTNILFGNEEEFAHL T0375 198 :GF 1dgmA 235 :NL T0375 200 :QSAEEALRGLYGR 1dgmA 250 :EHAVEVCTGALRL T0375 216 :GAVLVCAWAEEGADAL 1dgmA 272 :TKLVVMTRGHNPVIAA T0375 232 :GPDGKLLHS 1dgmA 290 :TADGTVVVH T0375 241 :DAFPPPRVVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCGLQGFD 1dgmA 303 :PVVAAEKIVDTNGAGDAFVGGFLYALSQGKTVKQCIMCGNACAQDVIQHVGFS Number of specific fragments extracted= 16 number of extra gaps= 0 total=332 Number of alignments=22 # 1dgmA read from 1dgmA/merged-good-all-a2m # found chain 1dgmA in template set Warning: unaligning (T0375)Q200 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1dgmA)T246 T0375 1 :GSQILCVGLVVLDVISLVD 1dgmA 12 :PMRVFAIGNPILDLVAEVP T0375 21 :YPKEDSEIRCL 1dgmA 38 :FLKRGDATLAT T0375 32 :SQRWQRGGNASNSCTILSLL 1dgmA 62 :NPTSLPGGSALNSVRVVQKL T0375 52 :GAPCAFMGSMAPGHVADFVLDDLRRYSVDLRYTVF 1dgmA 85 :PGSAGYMGAIGDDPRGQVLKELCDKEGLATRFMVA T0375 88 :TTGSVPIATVIIN 1dgmA 120 :PGQSTGVCAVLIN T0375 103 :SGSRTILYYDRSLPDVS 1dgmA 133 :EKERTLCTHLGACGSFR T0375 120 :ATDFEK 1dgmA 151 :PEDWTT T0375 127 :DLTQFKWIHIEGRNAS 1dgmA 157 :FASGALIFYATAYTLT T0375 143 :EQVKMLQRIDAH 1dgmA 177 :NAFEVAGYAHGI T0375 155 :NTRQPPEQKIRVSV 1dgmA 190 :NAIFTLNLSAPFCV T0375 171 :EKPREELFQLFGYGDVVFVSKDVAKHL 1dgmA 204 :ELYKDAMQSLLLHTNILFGNEEEFAHL T0375 198 :GF 1dgmA 235 :NL T0375 201 :SAEEALRGLYGRVR 1dgmA 248 :NKEHAVEVCTGALR T0375 215 :KG 1dgmA 265 :AG T0375 217 :A 1dgmA 272 :T T0375 218 :VLVCAWAEEGADAL 1dgmA 274 :LVVMTRGHNPVIAA T0375 232 :GPDGKLL 1dgmA 290 :TADGTVV T0375 239 :HSDAFP 1dgmA 299 :EVGVPV T0375 245 :PPRVVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCGLQGFD 1dgmA 307 :AEKIVDTNGAGDAFVGGFLYALSQGKTVKQCIMCGNACAQDVIQHVGFS Number of specific fragments extracted= 19 number of extra gaps= 0 total=351 Number of alignments=23 # 1dgmA read from 1dgmA/merged-good-all-a2m # found chain 1dgmA in template set T0375 2 :SQILCVGLVVLDVISLVDK 1dgmA 13 :MRVFAIGNPILDLVAEVPS T0375 21 :YPKEDSEIRCLSQRWQ 1dgmA 38 :FLKRGDATLATPEQMR T0375 37 :RGGNASNSCTILSLL 1dgmA 67 :PGGSALNSVRVVQKL T0375 52 :GAPCAFMGSMAPGHVADFVLDDLRRYSVDLRYTVF 1dgmA 85 :PGSAGYMGAIGDDPRGQVLKELCDKEGLATRFMVA T0375 88 :TTGSVPIATVIINEASGSRTILYYDRSLPDVSATDF 1dgmA 120 :PGQSTGVCAVLINEKERTLCTHLGACGSFRLPEDWT T0375 126 :VDLTQFKWIHIEGRNASE 1dgmA 156 :TFASGALIFYATAYTLTA T0375 144 :QVKMLQRIDAHN 1dgmA 176 :KNAFEVAGYAHG T0375 156 :TRQPPEQKIRVSVEVEKPREELFQLFGYGDVVFVSKDVAKHLGFQ 1dgmA 189 :PNAIFTLNLSAPFCVELYKDAMQSLLLHTNILFGNEEEFAHLAKV T0375 201 :SAEE 1dgmA 247 :ANKE T0375 205 :ALRGLYGRVRK 1dgmA 256 :CTGALRLLTAG T0375 216 :GAVLVCAWAEEGADALG 1dgmA 272 :TKLVVMTRGHNPVIAAE T0375 233 :PDGKLLHSDAFPPPR 1dgmA 292 :DGTVVVHEVGVPVVA T0375 248 :VVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCGLQGFD 1dgmA 310 :IVDTNGAGDAFVGGFLYALSQGKTVKQCIMCGNACAQDVIQHVGFS Number of specific fragments extracted= 13 number of extra gaps= 0 total=364 Number of alignments=24 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1rkd/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1rkd expands to /projects/compbio/data/pdb/1rkd.pdb.gz 1rkd:Warning: there is no chain 1rkd will retry with 1rkdA # T0375 read from 1rkd/merged-good-all-a2m # 1rkd read from 1rkd/merged-good-all-a2m # adding 1rkd to template set # found chain 1rkd in template set T0375 2 :SQILCVGLVVLDVISLVDKYPKEDSEIRCLSQRWQRGGNASNSCTILSLLGAPCAFMGSMAPGHVADFVLDDLRRYSVDLRYTVFQTTGSVPIATVIINE 1rkd 5 :GSLVVLGSINADHILNLQSFPTPGETVTGNHYQVAFGGKGANQAVAAGRSGANIAFIACTGDDSIGESVRQQLATDNIDITPVSVIKGESTGVALIFVNG T0375 103 :SGSRTILYYDRSLPDVSATDFEKVD 1rkd 105 :EGENVIGIHAGANAALSPALVEAQR T0375 128 :LTQFKWIHIEGRNASEQ 1rkd 132 :IANASALLMQLESPLES T0375 145 :VKMLQRIDAHNTRQPPEQKIRVSVEVE 1rkd 150 :MAAAKIAHQNKTIVALNPAPARELPDE T0375 180 :LFGYGDVVFVSKDVAKHL 1rkd 177 :LLALVDIITPNETEAEKL T0375 198 :GF 1rkd 196 :GI T0375 200 :QSAEEALRGLYGRV 1rkd 203 :EDAAKAAQVLHEKG T0375 216 :GAVLVCAWAEEGADALG 1rkd 217 :IRTVLITLGSRGVWASV T0375 234 :DGKLLHSDAF 1rkd 234 :NGEGQRVPGF T0375 245 :PPRVVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCGLQGFDGI 1rkd 244 :RVQAVDTIAAGDTFNGALITALLEEKPLPEAIRFAHAAAAIAVTRKGAQPS Number of specific fragments extracted= 10 number of extra gaps= 0 total=374 Number of alignments=25 # 1rkd read from 1rkd/merged-good-all-a2m # found chain 1rkd in template set T0375 2 :SQILCVGLVVLDVISLVDKYPKEDSEIRCLSQRWQRGGNASNSCTILSLLGAPCAFMGSMAPGHVADFVLDDLRRYSVDLRYTVFQTTGSVPIATVII 1rkd 5 :GSLVVLGSINADHILNLQSFPTPGETVTGNHYQVAFGGKGANQAVAAGRSGANIAFIACTGDDSIGESVRQQLATDNIDITPVSVIKGESTGVALIFV T0375 101 :EASGSRTILYYDRSLPDVSATDFEKVD 1rkd 103 :NGEGENVIGIHAGANAALSPALVEAQR T0375 128 :LTQFKWIHIEGRNA 1rkd 132 :IANASALLMQLESP T0375 142 :SEQVKMLQRIDAHNTRQPPEQKIR 1rkd 147 :ESVMAAAKIAHQNKTIVALNPAPA T0375 171 :EKPRE 1rkd 171 :RELPD T0375 179 :QLFGYGDVVFVSKDVAKHL 1rkd 176 :ELLALVDIITPNETEAEKL T0375 198 :GFQ 1rkd 196 :GIR T0375 201 :SAEEALRGLYGRVRKGA 1rkd 201 :NDEDAAKAAQVLHEKGI T0375 218 :VLVCAWAEEGADALGPD 1rkd 219 :TVLITLGSRGVWASVNG T0375 236 :KLLHSDAF 1rkd 236 :EGQRVPGF T0375 245 :PPRVVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCGLQGFDGIV 1rkd 244 :RVQAVDTIAAGDTFNGALITALLEEKPLPEAIRFAHAAAAIAVTRKGAQPSV Number of specific fragments extracted= 11 number of extra gaps= 0 total=385 Number of alignments=26 # 1rkd read from 1rkd/merged-good-all-a2m # found chain 1rkd in template set T0375 2 :SQILCVGLVVLDVISLVDKYPKEDSEIRCLSQRWQRGGNASNSCTILSLLGAPCAFMGSMAPGHVADFVLDDLRRYSVDLRYTVFQTTGSVPIATVIINEASGSRTILYYDRSLP 1rkd 5 :GSLVVLGSINADHILNLQSFPTPGETVTGNHYQVAFGGKGANQAVAAGRSGANIAFIACTGDDSIGESVRQQLATDNIDITPVSVIKGESTGVALIFVNGEGENVIGIHAGANAA T0375 118 :VSATDFE 1rkd 120 :LSPALVE T0375 125 :KVDLTQFKWIHI 1rkd 129 :RERIANASALLM T0375 138 :GRNASEQVKMLQRIDAHNTRQPPEQKIRVSVEVEK 1rkd 141 :QLESPLESVMAAAKIAHQNKTIVALNPAPARELPD T0375 179 :QLFGYGDVVFVSKDVAKHLGFQ 1rkd 176 :ELLALVDIITPNETEAEKLTGI T0375 201 :SAEE 1rkd 200 :ENDE T0375 205 :ALRGLYGRVRKGAVLVCAWAEEGADALGPDG 1rkd 206 :AKAAQVLHEKGIRTVLITLGSRGVWASVNGE T0375 238 :LHSDAFPPPRVVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCGLQGFD 1rkd 237 :GQRVPGFRVQAVDTIAAGDTFNGALITALLEEKPLPEAIRFAHAAAAIAVTRKGAQ Number of specific fragments extracted= 8 number of extra gaps= 0 total=393 Number of alignments=27 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2absA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2absA expands to /projects/compbio/data/pdb/2abs.pdb.gz 2absA:Skipped atom 697, because occupancy 0.410 <= existing 0.590 in 2absA Skipped atom 699, because occupancy 0.410 <= existing 0.590 in 2absA Skipped atom 701, because occupancy 0.410 <= existing 0.590 in 2absA Skipped atom 703, because occupancy 0.410 <= existing 0.590 in 2absA Skipped atom 705, because occupancy 0.410 <= existing 0.590 in 2absA Skipped atom 707, because occupancy 0.410 <= existing 0.590 in 2absA Skipped atom 709, because occupancy 0.410 <= existing 0.590 in 2absA Skipped atom 711, because occupancy 0.410 <= existing 0.590 in 2absA Skipped atom 713, because occupancy 0.410 <= existing 0.590 in 2absA Skipped atom 884, because occupancy 0.440 <= existing 0.560 in 2absA Skipped atom 886, because occupancy 0.440 <= existing 0.560 in 2absA Skipped atom 888, because occupancy 0.440 <= existing 0.560 in 2absA Skipped atom 890, because occupancy 0.440 <= existing 0.560 in 2absA Skipped atom 892, because occupancy 0.440 <= existing 0.560 in 2absA Skipped atom 894, because occupancy 0.440 <= existing 0.560 in 2absA Skipped atom 896, because occupancy 0.440 <= existing 0.560 in 2absA Skipped atom 898, because occupancy 0.440 <= existing 0.560 in 2absA Skipped atom 900, because occupancy 0.440 <= existing 0.560 in 2absA Skipped atom 1191, because occupancy 0.350 <= existing 0.650 in 2absA Skipped atom 1193, because occupancy 0.350 <= existing 0.650 in 2absA Skipped atom 1195, because occupancy 0.350 <= existing 0.650 in 2absA Skipped atom 1197, because occupancy 0.350 <= existing 0.650 in 2absA Skipped atom 1199, because occupancy 0.350 <= existing 0.650 in 2absA Skipped atom 1201, because occupancy 0.350 <= existing 0.650 in 2absA Skipped atom 1230, because occupancy 0.270 <= existing 0.460 in 2absA Skipped atom 1231, because occupancy 0.270 <= existing 0.460 in 2absA Skipped atom 1233, because occupancy 0.270 <= existing 0.460 in 2absA Skipped atom 1234, because occupancy 0.270 <= existing 0.460 in 2absA Skipped atom 1236, because occupancy 0.270 <= existing 0.460 in 2absA Skipped atom 1237, because occupancy 0.270 <= existing 0.460 in 2absA Skipped atom 1239, because occupancy 0.270 <= existing 0.460 in 2absA Skipped atom 1240, because occupancy 0.270 <= existing 0.460 in 2absA Skipped atom 1242, because occupancy 0.270 <= existing 0.460 in 2absA Skipped atom 1243, because occupancy 0.270 <= existing 0.460 in 2absA Skipped atom 1245, because occupancy 0.270 <= existing 0.460 in 2absA Skipped atom 1246, because occupancy 0.270 <= existing 0.460 in 2absA Skipped atom 1248, because occupancy 0.270 <= existing 0.460 in 2absA Skipped atom 1249, because occupancy 0.270 <= existing 0.460 in 2absA Skipped atom 2088, because occupancy 0.410 <= existing 0.590 in 2absA Skipped atom 2090, because occupancy 0.410 <= existing 0.590 in 2absA Skipped atom 2092, because occupancy 0.410 <= existing 0.590 in 2absA Skipped atom 2094, because occupancy 0.410 <= existing 0.590 in 2absA Skipped atom 2096, because occupancy 0.410 <= existing 0.590 in 2absA Skipped atom 2098, because occupancy 0.410 <= existing 0.590 in 2absA Skipped atom 2100, because occupancy 0.410 <= existing 0.590 in 2absA Skipped atom 2102, because occupancy 0.410 <= existing 0.590 in 2absA Skipped atom 2177, because occupancy 0.330 <= existing 0.670 in 2absA Skipped atom 2179, because occupancy 0.330 <= existing 0.670 in 2absA Skipped atom 2345, because occupancy 0.260 <= existing 0.740 in 2absA Skipped atom 2347, because occupancy 0.260 <= existing 0.740 in 2absA Skipped atom 2349, because occupancy 0.260 <= existing 0.740 in 2absA Skipped atom 2351, because occupancy 0.260 <= existing 0.740 in 2absA Skipped atom 2353, because occupancy 0.260 <= existing 0.740 in 2absA Skipped atom 2355, because occupancy 0.260 <= existing 0.740 in 2absA Skipped atom 2357, because occupancy 0.260 <= existing 0.740 in 2absA Skipped atom 2359, because occupancy 0.260 <= existing 0.740 in 2absA Skipped atom 2361, because occupancy 0.260 <= existing 0.740 in 2absA Skipped atom 2363, because occupancy 0.260 <= existing 0.740 in 2absA Skipped atom 2365, because occupancy 0.260 <= existing 0.740 in 2absA Skipped atom 2367, because occupancy 0.260 <= existing 0.740 in 2absA Skipped atom 2467, because occupancy 0.430 <= existing 0.570 in 2absA Skipped atom 2469, because occupancy 0.430 <= existing 0.570 in 2absA Skipped atom 2471, because occupancy 0.430 <= existing 0.570 in 2absA Skipped atom 2527, because occupancy 0.370 <= existing 0.630 in 2absA Skipped atom 2529, because occupancy 0.370 <= existing 0.630 in 2absA Skipped atom 2531, because occupancy 0.370 <= existing 0.630 in 2absA Skipped atom 2533, because occupancy 0.370 <= existing 0.630 in 2absA Skipped atom 2854, because occupancy 0.350 <= existing 0.350 in 2absA Skipped atom 2855, because occupancy 0.300 <= existing 0.350 in 2absA Skipped atom 2857, because occupancy 0.350 <= existing 0.350 in 2absA Skipped atom 2858, because occupancy 0.300 <= existing 0.350 in 2absA # T0375 read from 2absA/merged-good-all-a2m # 2absA read from 2absA/merged-good-all-a2m # adding 2absA to template set # found chain 2absA in template set Warning: unaligning (T0375)Q162 because of BadResidue code BAD_PEPTIDE in next template residue (2absA)S198 Warning: unaligning (T0375)K163 because of BadResidue code BAD_PEPTIDE at template residue (2absA)S198 Warning: unaligning (T0375)F199 because of BadResidue code BAD_PEPTIDE in next template residue (2absA)V237 Warning: unaligning (T0375)I295 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2absA)T359 T0375 1 :GSQILCVGLVVLDVISLVD 2absA 12 :PMRVFAIGNPILDLVAEVP T0375 23 :KED 2absA 40 :KRG T0375 27 :EI 2absA 43 :DA T0375 29 :RCLSQRWQRGGNASNSCTILSLL 2absA 59 :DQFNPTSLPGGSALNSVRVVQKL T0375 52 :GAPCAFMGSMAPGHVADFVLDDLRRYSVDLRYTVF 2absA 85 :PGSAGYMGAIGDDPRGQVLKELCDKEGLATRFMVA T0375 88 :TTGSVPIATVIIN 2absA 120 :PGQSTGVCAVLIN T0375 103 :SGSRTILYYDRSLPDVS 2absA 133 :EKERTLCTHLGACGSFR T0375 120 :ATDF 2absA 151 :PEDW T0375 125 :KVDLTQFKWIHIEGR 2absA 155 :TTFASGALIFYATAY T0375 140 :NASEQVKMLQRIDAH 2absA 174 :TPKNALEVAGYAHGI T0375 155 :NTRQPPE 2absA 190 :NAIFTLN T0375 166 :VSVEVEKPREELFQLFGYGDVVFVSKDVAKHL 2absA 199 :APFCVELYKDAMQSLLLHTNILFGNEEEFAHL T0375 198 :G 2absA 235 :N T0375 200 :QSAEEALRGLYGR 2absA 250 :EHAVEVCTGALRL T0375 216 :GAVLVCAWAEEGADAL 2absA 272 :TKLVVMTRGHNPVIAA T0375 232 :GPDGKLLHS 2absA 290 :TADGTVVVH T0375 241 :DAFPPPRVVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCGLQGFD 2absA 303 :PVVAAEKIVDTNGAGDAFVGGFLYALSQGKTVKQCIMCGNACAQDVIQHVGFS T0375 294 :G 2absA 357 :S Number of specific fragments extracted= 18 number of extra gaps= 3 total=411 Number of alignments=28 # 2absA read from 2absA/merged-good-all-a2m # found chain 2absA in template set Warning: unaligning (T0375)Q162 because of BadResidue code BAD_PEPTIDE in next template residue (2absA)S198 Warning: unaligning (T0375)K163 because of BadResidue code BAD_PEPTIDE at template residue (2absA)S198 Warning: unaligning (T0375)F199 because of BadResidue code BAD_PEPTIDE in next template residue (2absA)V237 Warning: unaligning (T0375)Q200 because of BadResidue code BAD_PEPTIDE at template residue (2absA)V237 Warning: unaligning (T0375)S201 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (2absA)N248 T0375 1 :GSQILCVGLVVLDVISLVD 2absA 12 :PMRVFAIGNPILDLVAEVP T0375 22 :PKEDSEIRCLSQ 2absA 39 :LKRGDATLATPE T0375 34 :RWQRGGNASNSCTILSLL 2absA 64 :TSLPGGSALNSVRVVQKL T0375 52 :GAPCAFMGSMAPGHVADFVLDDLRRYSVDLRYTVF 2absA 85 :PGSAGYMGAIGDDPRGQVLKELCDKEGLATRFMVA T0375 88 :TTGSVPIATVIIN 2absA 120 :PGQSTGVCAVLIN T0375 103 :SGSRTILYYDRSLPDVS 2absA 133 :EKERTLCTHLGACGSFR T0375 120 :ATDFEK 2absA 151 :PEDWTT T0375 127 :DLTQFKWIHIEGRN 2absA 157 :FASGALIFYATAYT T0375 141 :ASEQVKMLQRIDAH 2absA 175 :PKNALEVAGYAHGI T0375 155 :NTRQPPE 2absA 190 :NAIFTLN T0375 164 :IRVSV 2absA 199 :APFCV T0375 171 :EKPREELFQLFGYGDVVFVSKDVAKHL 2absA 204 :ELYKDAMQSLLLHTNILFGNEEEFAHL T0375 198 :G 2absA 235 :N T0375 202 :AEEALRGLYGRVR 2absA 249 :KEHAVEVCTGALR T0375 215 :KG 2absA 265 :AG T0375 217 :A 2absA 272 :T T0375 218 :VLVCAWAEEGADAL 2absA 274 :LVVMTRGHNPVIAA T0375 232 :GPDGKLL 2absA 290 :TADGTVV T0375 239 :HSDAFP 2absA 299 :EVGVPV T0375 245 :PPRVVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCGLQGFDGIV 2absA 307 :AEKIVDTNGAGDAFVGGFLYALSQGKTVKQCIMCGNACAQDVIQHVGFSLSF Number of specific fragments extracted= 20 number of extra gaps= 2 total=431 Number of alignments=29 # 2absA read from 2absA/merged-good-all-a2m # found chain 2absA in template set Warning: unaligning (T0375)I164 because of BadResidue code BAD_PEPTIDE in next template residue (2absA)S198 Warning: unaligning (T0375)R165 because of BadResidue code BAD_PEPTIDE at template residue (2absA)S198 Warning: unaligning (T0375)S201 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (2absA)N248 T0375 2 :SQILCVGLVVLDVISLVDK 2absA 13 :MRVFAIGNPILDLVAEVPS T0375 21 :YPKEDSEIRCLSQRWQ 2absA 38 :FLKRGDATLATPEQMR T0375 37 :RGGNASNSCTILSLL 2absA 67 :PGGSALNSVRVVQKL T0375 52 :GAPCAFMGSMAPGHVADFVLDDLRRYSVDLRYTV 2absA 85 :PGSAGYMGAIGDDPRGQVLKELCDKEGLATRFMV T0375 87 :QTTGSVPIATVIINEASGSRTILYYDRSLPDVSATDF 2absA 119 :APGQSTGVCAVLINEKERTLCTHLGACGSFRLPEDWT T0375 126 :VDLTQFKWIHIEGRNASE 2absA 156 :TFASGALIFYATAYTLTA T0375 144 :QVKMLQRIDAHN 2absA 176 :KNALEVAGYAHG T0375 156 :TRQPPEQK 2absA 189 :PNAIFTLN T0375 166 :VSVEVEKPREELFQLFGYGDVVFVSKDVAKHLGFQ 2absA 199 :APFCVELYKDAMQSLLLHTNILFGNEEEFAHLAKV T0375 202 :AEE 2absA 249 :KEH T0375 205 :ALRGLYGRVRK 2absA 256 :CTGALRLLTAG T0375 216 :GAVLVCAWAEEGADALG 2absA 272 :TKLVVMTRGHNPVIAAE T0375 233 :PDGK 2absA 291 :ADGT T0375 237 :LLHSDAFPPPR 2absA 296 :VVHEVGVPVVA T0375 248 :VVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCGLQGFD 2absA 310 :IVDTNGAGDAFVGGFLYALSQGKTVKQCIMCGNACAQDVIQHVGFS Number of specific fragments extracted= 15 number of extra gaps= 1 total=446 Number of alignments=30 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1u2xA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1u2xA expands to /projects/compbio/data/pdb/1u2x.pdb.gz 1u2xA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # T0375 read from 1u2xA/merged-good-all-a2m # 1u2xA read from 1u2xA/merged-good-all-a2m # adding 1u2xA to template set # found chain 1u2xA in template set Warning: unaligning (T0375)V7 because of BadResidue code BAD_PEPTIDE in next template residue (1u2xA)Y34 Warning: unaligning (T0375)G8 because of BadResidue code BAD_PEPTIDE at template residue (1u2xA)Y34 Warning: unaligning (T0375)R34 because of BadResidue code BAD_PEPTIDE in next template residue (1u2xA)E114 Warning: unaligning (T0375)W35 because of BadResidue code BAD_PEPTIDE at template residue (1u2xA)E114 Warning: unaligning (T0375)V118 because of BadResidue code NON_PLANAR_PEPTIDE in next template residue (1u2xA)T222 Warning: unaligning (T0375)S119 because of BadResidue code NON_PLANAR_PEPTIDE at template residue (1u2xA)T222 Warning: unaligning (T0375)E226 because of BadResidue code BAD_PEPTIDE in next template residue (1u2xA)L362 Warning: unaligning (T0375)G227 because of BadResidue code BAD_PEPTIDE at template residue (1u2xA)L362 T0375 1 :GSQILC 1u2xA 27 :HLSIYT T0375 9 :LVVLDVISLVD 1u2xA 35 :NANIDAIVKLN T0375 29 :RCLSQ 1u2xA 108 :TFRYE T0375 36 :QRGGNASNSCTILSLLGAP 1u2xA 115 :RLGGQAGIIANTLAGLKIR T0375 55 :CAFMGSMAPGHVA 1u2xA 135 :VIAYTPFLPKRLA T0375 76 :RY 1u2xA 148 :EL T0375 78 :S 1u2xA 153 :G T0375 81 :LRYTVFQTTG 1u2xA 154 :VLYPVVENGE T0375 91 :SVPIATVIINE 1u2xA 178 :PLKINRIFEFR T0375 103 :SG 1u2xA 189 :KG T0375 105 :SRTILYY 1u2xA 206 :GRFIVSA T0375 112 :DRSLPD 1u2xA 215 :ESISRI T0375 120 :ATDFEKVD 1u2xA 223 :REDIKPFL T0375 128 :LTQFKWIHIEG 1u2xA 234 :GKEVDGAIFSG T0375 139 :RNASEQ 1u2xA 256 :KDANYY T0375 145 :VKMLQRIDAHNTRQPPEQ 1u2xA 266 :KEDIIEFKEKDVKIHVEF T0375 166 :VSVEVEKPREELFQ 1u2xA 284 :ASVQDRKLRKKIIT T0375 180 :LFGYGDVVFVSKDVAKHL 1u2xA 299 :ILPFVDSVGIDEAEIAQI T0375 198 :GF 1u2xA 321 :GY T0375 200 :QSAEEALR 1u2xA 333 :NRLEDSIL T0375 208 :GLYGRV 1u2xA 344 :IILDEL T0375 215 :KGAVLVCAWAE 1u2xA 350 :NFEILQVHTTY T0375 228 :ADALGP 1u2xA 363 :MYITHR T0375 234 :DGKLLHSDAFPPPRVVDTLGAGDTFNASVIFSLSQ 1u2xA 433 :EYKVVVIPTRLVQNPVLTVGLGDTISAGAFLTYLE Number of specific fragments extracted= 24 number of extra gaps= 4 total=470 Number of alignments=31 # 1u2xA read from 1u2xA/merged-good-all-a2m # found chain 1u2xA in template set Warning: unaligning (T0375)V7 because of BadResidue code BAD_PEPTIDE in next template residue (1u2xA)Y34 Warning: unaligning (T0375)G8 because of BadResidue code BAD_PEPTIDE at template residue (1u2xA)Y34 Warning: unaligning (T0375)V118 because of BadResidue code NON_PLANAR_PEPTIDE in next template residue (1u2xA)T222 Warning: unaligning (T0375)S119 because of BadResidue code NON_PLANAR_PEPTIDE at template residue (1u2xA)T222 Warning: unaligning (T0375)G227 because of BadResidue code BAD_PEPTIDE in next template residue (1u2xA)L362 Warning: unaligning (T0375)A228 because of BadResidue code BAD_PEPTIDE at template residue (1u2xA)L362 T0375 2 :SQILC 1u2xA 28 :LSIYT T0375 9 :LVVLDVISLVDK 1u2xA 35 :NANIDAIVKLNQ T0375 38 :GGNASNSCTILSLLGAP 1u2xA 117 :GGQAGIIANTLAGLKIR T0375 55 :CAFMGSMAP 1u2xA 135 :VIAYTPFLP T0375 68 :DFVL 1u2xA 144 :KRLA T0375 76 :RY 1u2xA 148 :EL T0375 78 :S 1u2xA 153 :G T0375 81 :LRYTVFQTTGSVPI 1u2xA 154 :VLYPVVENGELQFK T0375 95 :ATVII 1u2xA 183 :RIFEF T0375 101 :EAS 1u2xA 188 :RKG T0375 104 :GSRTILYY 1u2xA 205 :SGRFIVSA T0375 112 :DRSLPD 1u2xA 215 :ESISRI T0375 120 :ATDFEKVD 1u2xA 223 :REDIKPFL T0375 128 :LTQFKWIHIEGRN 1u2xA 234 :GKEVDGAIFSGYQ T0375 143 :EQVKMLQRIDAHNTRQPPEQ 1u2xA 264 :RAKEDIIEFKEKDVKIHVEF T0375 166 :VSVEVEKPREELF 1u2xA 284 :ASVQDRKLRKKII T0375 179 :QLFGYGDVVFVSKDVAKHL 1u2xA 298 :NILPFVDSVGIDEAEIAQI T0375 198 :GFQ 1u2xA 321 :GYR T0375 201 :SAEEALRGLYGRVRK 1u2xA 334 :RLEDSILGGMIILDE T0375 216 :GAVLVCAWAEE 1u2xA 350 :NFEILQVHTTY T0375 229 :DALGP 1u2xA 363 :MYITH T0375 234 :DGKLLHSDAFPPPRVVDTLGAGDTFNASVIFSLSQ 1u2xA 433 :EYKVVVIPTRLVQNPVLTVGLGDTISAGAFLTYLE Number of specific fragments extracted= 22 number of extra gaps= 3 total=492 Number of alignments=32 # 1u2xA read from 1u2xA/merged-good-all-a2m # found chain 1u2xA in template set Warning: unaligning (T0375)V7 because of BadResidue code BAD_PEPTIDE in next template residue (1u2xA)Y34 Warning: unaligning (T0375)G8 because of BadResidue code BAD_PEPTIDE at template residue (1u2xA)Y34 Warning: unaligning (T0375)V118 because of BadResidue code NON_PLANAR_PEPTIDE in next template residue (1u2xA)T222 Warning: unaligning (T0375)S119 because of BadResidue code NON_PLANAR_PEPTIDE at template residue (1u2xA)T222 Warning: unaligning (T0375)E226 because of BadResidue code BAD_PEPTIDE in next template residue (1u2xA)L362 Warning: unaligning (T0375)G227 because of BadResidue code BAD_PEPTIDE at template residue (1u2xA)L362 T0375 2 :SQILC 1u2xA 28 :LSIYT T0375 9 :LVVLDVISLVDK 1u2xA 35 :NANIDAIVKLNQ T0375 37 :RGGNASNSCTILSLLGAPCAFMGSMAPG 1u2xA 116 :LGGQAGIIANTLAGLKIRKVIAYTPFLP T0375 68 :D 1u2xA 144 :K T0375 73 :DLRRY 1u2xA 145 :RLAEL T0375 78 :SV 1u2xA 153 :GV T0375 80 :DLRYTVFQTTGSVPIATVIINEA 1u2xA 168 :PIQEAYREGDPLKINRIFEFRKG T0375 103 :SGSRTILYYDR 1u2xA 204 :NSGRFIVSARF T0375 114 :SLPD 1u2xA 217 :ISRI T0375 120 :ATDF 1u2xA 223 :REDI T0375 124 :EKVDLTQFKWIHIEGRNASE 1u2xA 230 :LGEIGKEVDGAIFSGYQGLR T0375 144 :QVKMLQRIDAHNTRQPPEQKIRVSVEVEKPREELFQLFGYGDVVFVSKDVAKHLGFQ 1u2xA 263 :RRAKEDIIEFKEKDVKIHVEFASVQDRKLRKKIITNILPFVDSVGIDEAEIAQILSV T0375 202 :AEEALRGLYGRVRKGAVLVCAWAE 1u2xA 337 :DSILGGMIILDELNFEILQVHTTY T0375 228 :ADALGPDG 1u2xA 363 :MYITHRDN T0375 236 :KLLHSDAFPPPRVVDTLGAGDTFNASVIFSLSQ 1u2xA 435 :KVVVIPTRLVQNPVLTVGLGDTISAGAFLTYLE Number of specific fragments extracted= 15 number of extra gaps= 3 total=507 Number of alignments=33 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1kyhA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0375 read from 1kyhA/merged-good-all-a2m # 1kyhA read from 1kyhA/merged-good-all-a2m # found chain 1kyhA in training set T0375 2 :SQILCVG 1kyhA 28 :GTALLLA T0375 18 :VDKYP 1kyhA 36 :SDDMP T0375 39 :GNASNSCTILSLLGAPCAFMG 1kyhA 41 :GAALLAGLGAMRSGLGKLVIG T0375 61 :MAPG 1kyhA 62 :TSEN T0375 66 :VADFV 1kyhA 66 :VIPLI T0375 103 :SGS 1kyhA 75 :PEA T0375 109 :LYYDR 1kyhA 78 :TYWRD T0375 114 :SLPDVS 1kyhA 88 :ADAQLE T0375 129 :TQFKWIHIEG 1kyhA 94 :ETYRAIAIGP T0375 139 :RNASEQVKMLQRIDAHNTRQPPEQKIRVSVEVEKP 1kyhA 106 :PQTESVQQAVDHVLTADCPVILDAGALAKRTYPKR T0375 182 :GYGDVVFVSKDVAKHL 1kyhA 141 :EGPVILTPHPGEFFRM T0375 198 :GF 1kyhA 158 :GV T0375 200 :QSAEEAL 1kyhA 166 :KKRAEYA T0375 207 :RGLYGRV 1kyhA 174 :EWAAQLQ T0375 216 :G 1kyhA 181 :T T0375 220 :VCAWAEEGADALGPDGKLLHSDAFP 1kyhA 182 :VIVLKGNQTVIAFPDGDCWLNPTGN T0375 249 :VDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCGL 1kyhA 209 :LAKGGTGDTLTGMILGMLCCHEDPKHAVLNAVYLHGACAEL Number of specific fragments extracted= 17 number of extra gaps= 0 total=524 Number of alignments=34 # 1kyhA read from 1kyhA/merged-good-all-a2m # found chain 1kyhA in training set T0375 2 :SQILCVG 1kyhA 28 :GTALLLA T0375 18 :VDKYP 1kyhA 36 :SDDMP T0375 39 :GNASNSCTILSLLGAPCAFMGS 1kyhA 41 :GAALLAGLGAMRSGLGKLVIGT T0375 101 :EAS 1kyhA 63 :SEN T0375 112 :DRSLPDVS 1kyhA 71 :VPVLPEAT T0375 120 :ATDFEKVD 1kyhA 81 :RDGWKKAA T0375 128 :LT 1kyhA 92 :LE T0375 130 :QFKWIHIEGRNA 1kyhA 95 :TYRAIAIGPGLP T0375 142 :SEQVKMLQRIDAHNTRQPPEQKIRVSVEVEKP 1kyhA 109 :ESVQQAVDHVLTADCPVILDAGALAKRTYPKR T0375 182 :GYGDVVFVSKDVAKHL 1kyhA 141 :EGPVILTPHPGEFFRM T0375 198 :GFQ 1kyhA 158 :GVP T0375 202 :AEEALRGLYGR 1kyhA 169 :AEYAKEWAAQL T0375 216 :GAVLVCA 1kyhA 180 :QTVIVLK T0375 225 :EEGADALGPDGKLLHSDAF 1kyhA 187 :GNQTVIAFPDGDCWLNPTG T0375 246 :PRVVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCGL 1kyhA 206 :NGALAKGGTGDTLTGMILGMLCCHEDPKHAVLNAVYLHGACAEL T0375 290 :QGFDGIV 1kyhA 254 :HSAHTLL Number of specific fragments extracted= 16 number of extra gaps= 0 total=540 Number of alignments=35 # 1kyhA read from 1kyhA/merged-good-all-a2m # found chain 1kyhA in training set T0375 2 :SQILCVGL 1kyhA 28 :GTALLLAG T0375 18 :VDK 1kyhA 36 :SDD T0375 37 :RGGNASNSCTILSLLGAPCAFMGSMAP 1kyhA 39 :MPGAALLAGLGAMRSGLGKLVIGTSEN T0375 66 :VADFV 1kyhA 66 :VIPLI T0375 87 :QTT 1kyhA 74 :LPE T0375 108 :ILYYDRSLPDVSATDFE 1kyhA 77 :ATYWRDGWKKAADAQLE T0375 129 :TQFKWIHIEGRNASEQVKMLQRIDAHNTRQPPEQKIRVSVEVE 1kyhA 94 :ETYRAIAIGPGLPQTESVQQAVDHVLTADCPVILDAGALAKRT T0375 182 :GYGDVVFVSKDVAKHLGFQSAEE 1kyhA 141 :EGPVILTPHPGEFFRMTGVPVNE T0375 205 :ALRGLYGRVRKG 1kyhA 170 :EYAKEWAAQLQT T0375 220 :VCAWAEEGADALGPDGKLLHSDAFP 1kyhA 182 :VIVLKGNQTVIAFPDGDCWLNPTGN T0375 251 :TLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCG 1kyhA 211 :KGGTGDTLTGMILGMLCCHEDPKHAVLNAVYLHGACAE Number of specific fragments extracted= 11 number of extra gaps= 0 total=551 Number of alignments=36 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1vi9A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1vi9A expands to /projects/compbio/data/pdb/1vi9.pdb.gz 1vi9A:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1928, because occupancy 0.500 <= existing 0.500 in 1vi9A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1930, because occupancy 0.500 <= existing 0.500 in 1vi9A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1932, because occupancy 0.500 <= existing 0.500 in 1vi9A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1934, because occupancy 0.500 <= existing 0.500 in 1vi9A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # T0375 read from 1vi9A/merged-good-all-a2m # 1vi9A read from 1vi9A/merged-good-all-a2m # adding 1vi9A to template set # found chain 1vi9A in template set Warning: unaligning (T0375)T84 because of BadResidue code BAD_PEPTIDE in next template residue (1vi9A)Q40 Warning: unaligning (T0375)V85 because of BadResidue code BAD_PEPTIDE at template residue (1vi9A)Q40 Warning: unaligning (T0375)Q87 because of BadResidue code BAD_PEPTIDE in next template residue (1vi9A)N43 Warning: unaligning (T0375)T88 because of BadResidue code BAD_PEPTIDE at template residue (1vi9A)N43 Warning: unaligning (T0375)I108 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1vi9A)V54 Warning: unaligning (T0375)Y110 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1vi9A)V54 T0375 2 :SQILCVGL 1vi9A 3 :KNILAIQS T0375 34 :RWQRGGNASNSCT 1vi9A 11 :HVVYGHAGNSAAE T0375 47 :ILSLLGAPCAFMG 1vi9A 25 :PMRRLGANVWPLN T0375 83 :Y 1vi9A 38 :T T0375 86 :F 1vi9A 41 :F T0375 89 :T 1vi9A 44 :H T0375 101 :EASGSRT 1vi9A 45 :TQYGKWT T0375 118 :VSATDFEKVD 1vi9A 55 :MPPSHLTEIV T0375 128 :LTQFKWIHIEGRNASEQ 1vi9A 73 :LHTCDAVLSGYLGSAEQ T0375 145 :VKMLQRIDAH 1vi9A 94 :LGIVRQVKAA T0375 155 :NTRQPPEQ 1vi9A 106 :QAKYFCDP T0375 165 :RVSVEVEKPREELFQ 1vi9A 120 :KGCIVAPGVAEFHVR T0375 180 :LFGYGDVVFVSKDVAKHL 1vi9A 136 :GLPASDIIAPNLVELEIL T0375 198 :GF 1vi9A 155 :EH T0375 200 :QSAE 1vi9A 159 :NNVE T0375 204 :EALRGLYGRV 1vi9A 166 :LAARELIAQG T0375 216 :GAVLVCAWAE 1vi9A 176 :PQIVLVKHLA T0375 228 :ADALG 1vi9A 196 :MLLVT T0375 234 :DGKLLHSDA 1vi9A 201 :ADEAWHISR T0375 244 :PPPRV 1vi9A 210 :PLVDF T0375 249 :VDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQV 1vi9A 217 :RQPVGVGDVTSGLLLVKLLQGATLQEALEHVTAA T0375 283 :AGKKCGLQGFD 1vi9A 254 :IMVTTKAMQEY Number of specific fragments extracted= 22 number of extra gaps= 2 total=573 Number of alignments=37 # 1vi9A read from 1vi9A/merged-good-all-a2m # found chain 1vi9A in template set Warning: unaligning (T0375)T84 because of BadResidue code BAD_PEPTIDE in next template residue (1vi9A)Q40 Warning: unaligning (T0375)V85 because of BadResidue code BAD_PEPTIDE at template residue (1vi9A)Q40 Warning: unaligning (T0375)Q87 because of BadResidue code BAD_PEPTIDE in next template residue (1vi9A)N43 Warning: unaligning (T0375)T88 because of BadResidue code BAD_PEPTIDE at template residue (1vi9A)N43 Warning: unaligning (T0375)I108 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1vi9A)V54 Warning: unaligning (T0375)Y110 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1vi9A)V54 T0375 1 :GSQILCVGL 1vi9A 2 :MKNILAIQS T0375 34 :RWQRGGNASNSCT 1vi9A 11 :HVVYGHAGNSAAE T0375 47 :ILSLLGAPCAFMG 1vi9A 25 :PMRRLGANVWPLN T0375 83 :Y 1vi9A 38 :T T0375 86 :F 1vi9A 41 :F T0375 89 :T 1vi9A 44 :H T0375 101 :EASGSRT 1vi9A 45 :TQYGKWT T0375 111 :Y 1vi9A 55 :M T0375 119 :SATDFEKVD 1vi9A 56 :PPSHLTEIV T0375 128 :LTQFKWIHIEGRNA 1vi9A 73 :LHTCDAVLSGYLGS T0375 142 :S 1vi9A 88 :E T0375 143 :EQVKMLQRIDAH 1vi9A 92 :HILGIVRQVKAA T0375 155 :NTRQPPEQ 1vi9A 106 :QAKYFCDP T0375 163 :KIRVSVEVEKPREELF 1vi9A 118 :PEKGCIVAPGVAEFHV T0375 179 :QLFGYGDVVFVSKDVAKHL 1vi9A 135 :HGLPASDIIAPNLVELEIL T0375 198 :GFQ 1vi9A 155 :EHA T0375 201 :SAEEALRGLYGRVRKGA 1vi9A 160 :NVEEAVLAARELIAQGP T0375 218 :VLVCAWAEEG 1vi9A 178 :IVLVKHLARA T0375 228 :ADALGPD 1vi9A 196 :MLLVTAD T0375 236 :KLLHSDAF 1vi9A 203 :EAWHISRP T0375 245 :PPRV 1vi9A 211 :LVDF T0375 249 :VDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKC 1vi9A 217 :RQPVGVGDVTSGLLLVKLLQGATLQEALEHVTAAVYEIM Number of specific fragments extracted= 22 number of extra gaps= 2 total=595 Number of alignments=38 # 1vi9A read from 1vi9A/merged-good-all-a2m # found chain 1vi9A in template set Warning: unaligning (T0375)M61 because of BadResidue code BAD_PEPTIDE in next template residue (1vi9A)Q40 Warning: unaligning (T0375)A62 because of BadResidue code BAD_PEPTIDE at template residue (1vi9A)Q40 Warning: unaligning (T0375)G64 because of BadResidue code BAD_PEPTIDE in next template residue (1vi9A)N43 Warning: unaligning (T0375)H65 because of BadResidue code BAD_PEPTIDE at template residue (1vi9A)N43 Warning: unaligning (T0375)T107 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1vi9A)V54 Warning: unaligning (T0375)L109 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1vi9A)V54 T0375 1 :GSQILCVGL 1vi9A 2 :MKNILAIQS T0375 34 :RWQRGGNASNSC 1vi9A 11 :HVVYGHAGNSAA T0375 46 :TILSLLGAPCAFMGS 1vi9A 24 :FPMRRLGANVWPLNT T0375 63 :P 1vi9A 41 :F T0375 84 :TVFQ 1vi9A 44 :HTQY T0375 103 :SGSR 1vi9A 48 :GKWT T0375 110 :YYDRSLPDVSATDFEKVDLTQFKWIHIEGRNASE 1vi9A 55 :MPPSHLTEIVQGIAAIDKLHTCDAVLSGYLGSAE T0375 144 :QVKMLQRIDAHN 1vi9A 91 :EHILGIVRQVKA T0375 156 :TRQPPEQKIRVS 1vi9A 105 :PQAKYFCDPVMG T0375 169 :EVE 1vi9A 117 :HPE T0375 172 :KPREELFQLF 1vi9A 127 :GVAEFHVRHG T0375 182 :GYGDVVFVSKDVAKHLGFQ 1vi9A 138 :PASDIIAPNLVELEILCEH T0375 202 :AEEALRGLYGRVRKGAVLVCAWAEE 1vi9A 162 :EEAVLAARELIAQGPQIVLVKHLAR T0375 227 :GADALGPDGKLLHSDAFPPPRVVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGK 1vi9A 195 :EMLLVTADEAWHISRPLVDFGMRQPVGVGDVTSGLLLVKLLQGATLQEALEHVTAAVYE Number of specific fragments extracted= 14 number of extra gaps= 2 total=609 Number of alignments=39 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1zjjA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1zjjA expands to /projects/compbio/data/pdb/1zjj.pdb.gz 1zjjA:# T0375 read from 1zjjA/merged-good-all-a2m # 1zjjA read from 1zjjA/merged-good-all-a2m # adding 1zjjA to template set # found chain 1zjjA in template set Warning: unaligning (T0375)S2 because first residue in template chain is (1zjjA)M1 T0375 3 :QILCVG 1zjjA 2 :VAIIFD T0375 9 :LVV 1zjjA 10 :GVL T0375 30 :CLSQRWQRG 1zjjA 13 :YRGNRAIPG T0375 41 :ASNSCTILSLLGAPCAFMGSMAPG 1zjjA 22 :VRELIEFLKERGIPFAFLTNNSTK T0375 66 :VADFVLDDLRRYSVDLR 1zjjA 46 :TPEMYREKLLKMGIDVS T0375 83 :YTVF 1zjjA 65 :IIIT T0375 102 :ASGSRTILYYDR 1zjjA 81 :LDPGKIFVIGGE T0375 114 :SLPDVSATDFEKVDLTQFKWIHIEG 1zjjA 102 :GWGIVTLDEARQGSWKEVKHVVVGL T0375 139 :RNASEQVKMLQRIDAHNTRQPPEQ 1zjjA 129 :DLTYEKLKYATLAIRNGATFIGTN T0375 164 :IRVSVEVEK 1zjjA 153 :PDATLPGEE T0375 173 :PREELFQLFGYGDVVFV 1zjjA 170 :IIAALKVATNVEPIIIG T0375 190 :S 1zjjA 189 :N T0375 203 :EEALRGLYGRVRKGAVLVCAWAEE 1zjjA 190 :EPMYEVVREMFPGEELWMVGDRLD Number of specific fragments extracted= 13 number of extra gaps= 0 total=622 Number of alignments=40 # 1zjjA read from 1zjjA/merged-good-all-a2m # found chain 1zjjA in template set Warning: unaligning (T0375)S2 because first residue in template chain is (1zjjA)M1 T0375 3 :QILCVG 1zjjA 2 :VAIIFD T0375 9 :LVV 1zjjA 10 :GVL T0375 30 :CLSQRWQRG 1zjjA 13 :YRGNRAIPG T0375 41 :ASNSCTILSLLGAPCAFMGSMAP 1zjjA 22 :VRELIEFLKERGIPFAFLTNNST T0375 65 :HVADFVLDDLRRYSVDL 1zjjA 45 :KTPEMYREKLLKMGIDV T0375 119 :SATDF 1zjjA 62 :SSSII T0375 128 :LTQFKWIHIE 1zjjA 81 :LDPGKIFVIG T0375 141 :ASEQVKMLQRI 1zjjA 91 :GEGLVKEMQAL T0375 155 :NTRQP 1zjjA 102 :GWGIV T0375 173 :PREELF 1zjjA 107 :TLDEAR T0375 179 :QLFGYGDVVFVS 1zjjA 114 :GSWKEVKHVVVG T0375 198 :GFQ 1zjjA 129 :DLT T0375 203 :EEALRGLYGRVRKGAVLVCAWAEE 1zjjA 132 :YEKLKYATLAIRNGATFIGTNPDA T0375 229 :DALGPD 1zjjA 156 :TLPGEE T0375 236 :KLLH 1zjjA 162 :GIYP T0375 253 :GAGDTFNASVIF 1zjjA 166 :GAGSIIAALKVA Number of specific fragments extracted= 16 number of extra gaps= 0 total=638 Number of alignments=41 # 1zjjA read from 1zjjA/merged-good-all-a2m # found chain 1zjjA in template set T0375 1 :GSQILCV 1zjjA 1 :MVAIIFD T0375 12 :LDVISLVDKYPKED 1zjjA 8 :MDGVLYRGNRAIPG T0375 41 :ASNSCTILSLLGAPCAFMGSMAPGH 1zjjA 22 :VRELIEFLKERGIPFAFLTNNSTKT T0375 67 :ADFVLDDLRRYSVDL 1zjjA 47 :PEMYREKLLKMGIDV T0375 82 :RYTVF 1zjjA 64 :SIIIT T0375 103 :SGSRTILYYDR 1zjjA 82 :DPGKIFVIGGE T0375 114 :SLPDVSATDFEKVDLTQFKWIHIEGRNASEQVKMLQRIDAHNTRQPPEQKIRVS 1zjjA 102 :GWGIVTLDEARQGSWKEVKHVVVGLDPDLTYEKLKYATLAIRNGATFIGTNPDA T0375 172 :KPREELFQLFGYGDVVFVS 1zjjA 191 :PMYEVVREMFPGEELWMVG T0375 207 :RGLYGRVRKGAVLVCAWA 1zjjA 215 :DIAFAKKFGMKAIMVLTG Number of specific fragments extracted= 9 number of extra gaps= 0 total=647 Number of alignments=42 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1vk4A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1vk4A expands to /projects/compbio/data/pdb/1vk4.pdb.gz 1vk4A:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 232, because occupancy 0.500 <= existing 0.500 in 1vk4A Skipped atom 234, because occupancy 0.500 <= existing 0.500 in 1vk4A Skipped atom 244, because occupancy 0.500 <= existing 0.500 in 1vk4A Skipped atom 246, because occupancy 0.500 <= existing 0.500 in 1vk4A Skipped atom 248, because occupancy 0.500 <= existing 0.500 in 1vk4A Skipped atom 250, because occupancy 0.500 <= existing 0.500 in 1vk4A Skipped atom 252, because occupancy 0.500 <= existing 0.500 in 1vk4A Skipped atom 254, because occupancy 0.500 <= existing 0.500 in 1vk4A Skipped atom 256, because occupancy 0.500 <= existing 0.500 in 1vk4A Skipped atom 258, because occupancy 0.500 <= existing 0.500 in 1vk4A Skipped atom 260, because occupancy 0.500 <= existing 0.500 in 1vk4A Skipped atom 262, because occupancy 0.500 <= existing 0.500 in 1vk4A Skipped atom 264, because occupancy 0.500 <= existing 0.500 in 1vk4A Skipped atom 266, because occupancy 0.500 <= existing 0.500 in 1vk4A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1392, because occupancy 0.350 <= existing 0.650 in 1vk4A Skipped atom 1394, because occupancy 0.350 <= existing 0.650 in 1vk4A Skipped atom 1396, because occupancy 0.350 <= existing 0.650 in 1vk4A Skipped atom 1402, because occupancy 0.350 <= existing 0.650 in 1vk4A Skipped atom 1404, because occupancy 0.350 <= existing 0.650 in 1vk4A Skipped atom 1406, because occupancy 0.350 <= existing 0.650 in 1vk4A Skipped atom 1408, because occupancy 0.350 <= existing 0.650 in 1vk4A Skipped atom 1507, because occupancy 0.350 <= existing 0.650 in 1vk4A Skipped atom 1509, because occupancy 0.350 <= existing 0.650 in 1vk4A Skipped atom 1511, because occupancy 0.350 <= existing 0.650 in 1vk4A Skipped atom 1513, because occupancy 0.350 <= existing 0.650 in 1vk4A Skipped atom 1515, because occupancy 0.350 <= existing 0.650 in 1vk4A Skipped atom 1517, because occupancy 0.350 <= existing 0.650 in 1vk4A Skipped atom 1765, because occupancy 0.350 <= existing 0.650 in 1vk4A Skipped atom 1767, because occupancy 0.350 <= existing 0.650 in 1vk4A Skipped atom 1977, because occupancy 0.350 <= existing 0.650 in 1vk4A Skipped atom 1979, because occupancy 0.350 <= existing 0.650 in 1vk4A Skipped atom 1981, because occupancy 0.350 <= existing 0.650 in 1vk4A Skipped atom 1983, because occupancy 0.350 <= existing 0.650 in 1vk4A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2198, because occupancy 0.350 <= existing 0.650 in 1vk4A Skipped atom 2200, because occupancy 0.350 <= existing 0.650 in 1vk4A Skipped atom 2202, because occupancy 0.350 <= existing 0.650 in 1vk4A Skipped atom 2204, because occupancy 0.350 <= existing 0.650 in 1vk4A Skipped atom 2206, because occupancy 0.350 <= existing 0.650 in 1vk4A # T0375 read from 1vk4A/merged-good-all-a2m # 1vk4A read from 1vk4A/merged-good-all-a2m # adding 1vk4A to template set # found chain 1vk4A in template set Warning: unaligning (T0375)N100 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1vk4A)T86 Warning: unaligning (T0375)R106 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1vk4A)T86 T0375 3 :QILCVGLVVLDVISL 1vk4A 1 :MITFIGHVSKDVNVV T0375 24 :ED 1vk4A 16 :DG T0375 32 :SQRWQRGGNASNSCTILSLLGAPCAFMGSMAPGHV 1vk4A 18 :KREIAYGGGVVMGAITSSLLGVKTKVITKCTREDV T0375 74 :LRRYSVDLRYTVF 1vk4A 58 :LRDNGVEVVFLKS T0375 91 :SVPIATVII 1vk4A 71 :PRTTSIENR T0375 107 :TILYYDRSLPDVSATDFEKV 1vk4A 87 :RESFLISAADPFTESDLAFI T0375 130 :QFKWIHIEGRNASEQ 1vk4A 107 :EGEAVHINPLWYGEF T0375 145 :VKMLQRIDAHNTRQPPEQ 1vk4A 123 :EDLIPVLRRKVMFLSADA T0375 163 :K 1vk4A 149 :N T0375 166 :VSVEVEKP 1vk4A 150 :EKLVYRDW T0375 175 :EELFQLFGYGDVVFVSKDVAKHL 1vk4A 158 :EMKEKYLKYLDLFKVDSREAETL T0375 198 :GFQSAEEALRGLYGRV 1vk4A 182 :GTNDLRESCRIIRSFG T0375 216 :GAVLVCAW 1vk4A 198 :AKIILATH T0375 225 :EEGADAL 1vk4A 206 :ASGVIVF T0375 234 :DGKLLHSDAF 1vk4A 213 :DGNFYEASFR T0375 245 :PPRVVDTLGAGDTFNASVIFSLSQ 1vk4A 223 :SWSLEGRTGRGDTCTAAFLVGFVF T0375 269 :GRSVQEALRFGCQVAGKKCGLQGFD 1vk4A 248 :KMSIEKATKFAAAVTSVKMRHPGPL Number of specific fragments extracted= 17 number of extra gaps= 0 total=664 Number of alignments=43 # 1vk4A read from 1vk4A/merged-good-all-a2m # found chain 1vk4A in template set Warning: unaligning (T0375)I99 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1vk4A)T86 Warning: unaligning (T0375)S105 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1vk4A)T86 T0375 2 :SQILCVGLVVLDVISL 1vk4A 0 :HMITFIGHVSKDVNVV T0375 19 :DK 1vk4A 16 :DG T0375 32 :SQRWQRGGNASNSCTILSLLGAPCAFMGSMAPG 1vk4A 18 :KREIAYGGGVVMGAITSSLLGVKTKVITKCTRE T0375 74 :LRRYSVDLRYTVF 1vk4A 58 :LRDNGVEVVFLKS T0375 90 :GSVPIATVI 1vk4A 71 :PRTTSIENR T0375 106 :RTILYY 1vk4A 87 :RESFLI T0375 113 :RSLPDVSATDFEKV 1vk4A 93 :SAADPFTESDLAFI T0375 130 :QFKWIHIEGRN 1vk4A 107 :EGEAVHINPLW T0375 141 :A 1vk4A 122 :P T0375 142 :SEQVKMLQR 1vk4A 124 :DLIPVLRRK T0375 156 :T 1vk4A 133 :V T0375 157 :RQPPEQ 1vk4A 135 :FLSADA T0375 163 :KIRVSVEVEKPRE 1vk4A 149 :NEKLVYRDWEMKE T0375 179 :QLFGYGDVVFVSKDVAKHL 1vk4A 162 :KYLKYLDLFKVDSREAETL T0375 198 :GFQSAEEALRGLYGR 1vk4A 182 :GTNDLRESCRIIRSF T0375 216 :GA 1vk4A 197 :GA T0375 218 :VLVCAW 1vk4A 200 :IILATH T0375 225 :EEGADALGPD 1vk4A 206 :ASGVIVFDGN T0375 237 :LLHSDAF 1vk4A 216 :FYEASFR T0375 245 :PPRVVDTLGAGDTFNASVIFSLSQ 1vk4A 223 :SWSLEGRTGRGDTCTAAFLVGFVF T0375 269 :GRSVQEALRFGCQVAGKKCGLQGF 1vk4A 248 :KMSIEKATKFAAAVTSVKMRHPGP Number of specific fragments extracted= 21 number of extra gaps= 0 total=685 Number of alignments=44 # 1vk4A read from 1vk4A/merged-good-all-a2m # found chain 1vk4A in template set Warning: unaligning (T0375)S103 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1vk4A)T86 T0375 2 :SQILCVGLVVLDVISL 1vk4A 0 :HMITFIGHVSKDVNVV T0375 24 :ED 1vk4A 16 :DG T0375 32 :SQRWQRGGNASNSCTILSLLGAPCAFMGSMAPGH 1vk4A 18 :KREIAYGGGVVMGAITSSLLGVKTKVITKCTRED T0375 74 :LRRYSVDLRYTVF 1vk4A 58 :LRDNGVEVVFLKS T0375 90 :GSVPIATVI 1vk4A 71 :PRTTSIENR T0375 104 :GSRTILYYD 1vk4A 87 :RESFLISAA T0375 116 :PDVSATDFEKV 1vk4A 96 :DPFTESDLAFI T0375 130 :QFKWIHIEGRNASE 1vk4A 107 :EGEAVHINPLWYGE T0375 144 :QVKMLQRIDA 1vk4A 124 :DLIPVLRRKV T0375 158 :QPPEQKIRVS 1vk4A 134 :MFLSADAQGF T0375 172 :KPREELFQLFGYGDVVFVSKDVAKHLGFQSAEEA 1vk4A 155 :RDWEMKEKYLKYLDLFKVDSREAETLTGTNDLRE T0375 207 :RGLYGRVRKGAVLVCAW 1vk4A 189 :SCRIIRSFGAKIILATH T0375 225 :EEGADALGPD 1vk4A 206 :ASGVIVFDGN T0375 238 :LHSDAFPPPRVVDTLGAGDTFNASVIFSLSQ 1vk4A 216 :FYEASFRSWSLEGRTGRGDTCTAAFLVGFVF T0375 269 :GRSVQEALRFGCQVAGKKCGLQGF 1vk4A 248 :KMSIEKATKFAAAVTSVKMRHPGP Number of specific fragments extracted= 15 number of extra gaps= 0 total=700 Number of alignments=45 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1qwgA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0375 read from 1qwgA/merged-good-all-a2m # 1qwgA read from 1qwgA/merged-good-all-a2m # found chain 1qwgA in training set Warning: unaligning (T0375)F199 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1qwgA)M129 T0375 88 :TTGSVPIATVIINE 1qwgA 9 :EDFQRGLTVVLDKG T0375 118 :VSATDFE 1qwgA 23 :LPPKFVE T0375 125 :KVDLTQFKWIHIEG 1qwgA 33 :KVCGDYIDFVKFGW T0375 139 :RNASEQVKMLQRIDAHNTRQPPEQKIRVSVEV 1qwgA 52 :IDRDVVKEKINYYKDWGIKVYPGGTLFEYAYS T0375 171 :EKPREELFQL 1qwgA 88 :DEFLNECEKL T0375 183 :YGDVVFV 1qwgA 98 :GFEAVEI T0375 190 :SKDVAKH 1qwgA 112 :SLEERNN T0375 197 :LG 1qwgA 126 :NG T0375 200 :QSAEEALRGLYGRV 1qwgA 148 :DDRIKLINFDLDAG T0375 216 :GAVLVCAWAEEG 1qwgA 162 :ADYVIIEGRESG T0375 228 :ADALGPDGKL 1qwgA 176 :KGLFDKEGKV Number of specific fragments extracted= 11 number of extra gaps= 1 total=711 Number of alignments=46 # 1qwgA read from 1qwgA/merged-good-all-a2m # found chain 1qwgA in training set Warning: unaligning (T0375)F199 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1qwgA)M129 Warning: unaligning (T0375)Q200 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1qwgA)M129 T0375 95 :A 1qwgA 16 :T T0375 108 :ILYYD 1qwgA 17 :VVLDK T0375 117 :DVSATDFEKV 1qwgA 22 :GLPPKFVEDY T0375 127 :DLTQFKWIHIEGRNAS 1qwgA 35 :CGDYIDFVKFGWGTSA T0375 143 :EQVKMLQRIDAHNTRQPPEQKIRVSVEV 1qwgA 56 :VVKEKINYYKDWGIKVYPGGTLFEYAYS T0375 171 :EKPREELFQL 1qwgA 88 :DEFLNECEKL T0375 183 :YGDVVFV 1qwgA 98 :GFEAVEI T0375 190 :SKDV 1qwgA 112 :SLEE T0375 194 :AKHLG 1qwgA 123 :AKDNG T0375 201 :SAEEALRGLYGRVRKGA 1qwgA 146 :TIDDRIKLINFDLDAGA T0375 218 :VLVCAWAEEG 1qwgA 164 :YVIIEGRESG T0375 230 :ALGPDGKL 1qwgA 178 :LFDKEGKV Number of specific fragments extracted= 12 number of extra gaps= 1 total=723 Number of alignments=47 # 1qwgA read from 1qwgA/merged-good-all-a2m # found chain 1qwgA in training set Warning: unaligning (T0375)Q158 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1qwgA)M129 Warning: unaligning (T0375)P159 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1qwgA)M129 T0375 54 :PCAFMG 1qwgA 40 :DFVKFG T0375 61 :MA 1qwgA 46 :WG T0375 63 :PGHVADFVLDDLRRYSVDLRY 1qwgA 53 :DRDVVKEKINYYKDWGIKVYP T0375 111 :YDR 1qwgA 74 :GGT T0375 114 :SLPDVSATDFEKVDLTQFKWIHIEGRNASE 1qwgA 82 :YSKGKFDEFLNECEKLGFEAVEISDGSSDI T0375 144 :QVKMLQRIDAHNTR 1qwgA 114 :EERNNAIKRAKDNG T0375 160 :PEQKIRVS 1qwgA 130 :VLTEVGKK T0375 173 :PREELFQ 1qwgA 138 :MPDKDKQ T0375 189 :VSKDVAKHL 1qwgA 145 :LTIDDRIKL T0375 208 :GLYGRVRKGAVLVCAWAEEG 1qwgA 154 :INFDLDAGADYVIIEGRESG T0375 231 :LGPDGKL 1qwgA 179 :FDKEGKV T0375 239 :H 1qwgA 186 :K T0375 263 :IFSLSQGRS 1qwgA 190 :LDVLAKNVD Number of specific fragments extracted= 13 number of extra gaps= 1 total=736 Number of alignments=48 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1wqaA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1wqaA expands to /projects/compbio/data/pdb/1wqa.pdb.gz 1wqaA:# T0375 read from 1wqaA/merged-good-all-a2m # 1wqaA read from 1wqaA/merged-good-all-a2m # adding 1wqaA to template set # found chain 1wqaA in template set T0375 41 :ASNSCTILSLLGAP 1wqaA 27 :GMAFGTLLKREGRK T0375 55 :CAFMGSMAP 1wqaA 43 :LVVVGRDTR T0375 64 :GHVADFVLDDLRRYSVDLRYTVFQT 1wqaA 55 :EMLKEALISGLLSVGCDVIDVGIAP T0375 89 :T 1wqaA 91 :N T0375 91 :SVPIATVIIN 1wqaA 92 :ADGGAVITAS T0375 101 :E 1wqaA 104 :P T0375 103 :SGSRTILYYDRSLPDVSATDFE 1wqaA 105 :PEYNGIKLLEPNGMGLKKEREA T0375 125 :KVDLTQFK 1wqaA 134 :KEDFDRAK T0375 135 :HIEGRNASEQVKMLQ 1wqaA 148 :VRREDIIKPYIEAIK T0375 150 :RIDAHNTRQPPEQKIRVSVEV 1wqaA 169 :AIKKRKPFVVVDTSNGAGSLT T0375 174 :REELFQL 1wqaA 191 :PYLLREL T0375 183 :YGDVVFVS 1wqaA 198 :GCKVITVN T0375 198 :GF 1wqaA 207 :QP T0375 200 :QSAEEALRGLYGRV 1wqaA 222 :ENLKEFMEIVKALG T0375 216 :GAVLVCAWAE 1wqaA 236 :ADFGVAQDGD T0375 226 :EGADALGPDGKLL 1wqaA 247 :DRAVFIDENGRFI T0375 243 :F 1wqaA 260 :Q T0375 255 :GDTFNASVIFSLSQ 1wqaA 261 :GDKTFALVADAVLK T0375 269 :G 1wqaA 277 :G T0375 270 :RSVQEALR 1wqaA 381 :GDRHAIVN Number of specific fragments extracted= 20 number of extra gaps= 0 total=756 Number of alignments=49 # 1wqaA read from 1wqaA/merged-good-all-a2m # found chain 1wqaA in template set T0375 41 :ASNSCTILSLLGAP 1wqaA 27 :GMAFGTLLKREGRK T0375 55 :CAFMGSMAP 1wqaA 42 :PLVVVGRDT T0375 64 :GHVADFVLDDLRRYSVDLRYTVFQT 1wqaA 55 :EMLKEALISGLLSVGCDVIDVGIAP T0375 91 :SVPIATVII 1wqaA 91 :NADGGAVIT T0375 100 :NEASGSRTILYYDRSLPDVSATDFEKV 1wqaA 102 :HNPPEYNGIKLLEPNGMGLKKEREAIV T0375 128 :LTQFK 1wqaA 134 :KEDFD T0375 140 :NAS 1wqaA 140 :AKW T0375 143 :EQVKMLQ 1wqaA 156 :PYIEAIK T0375 150 :RIDAHNTRQPPEQKIRVSVEV 1wqaA 169 :AIKKRKPFVVVDTSNGAGSLT T0375 173 :PREELFQL 1wqaA 190 :LPYLLREL T0375 183 :YGDVVFVS 1wqaA 198 :GCKVITVN T0375 198 :GFQ 1wqaA 211 :YFP T0375 201 :SAE 1wqaA 220 :NEE T0375 204 :EALRGLYGR 1wqaA 226 :EFMEIVKAL T0375 216 :GA 1wqaA 235 :GA T0375 218 :VLVCAWAE 1wqaA 238 :FGVAQDGD T0375 226 :EGADALGPDGKLL 1wqaA 247 :DRAVFIDENGRFI T0375 247 :R 1wqaA 260 :Q T0375 255 :GDTFNASVIFSLS 1wqaA 261 :GDKTFALVADAVL T0375 268 :QGRS 1wqaA 276 :KGGG Number of specific fragments extracted= 20 number of extra gaps= 0 total=776 Number of alignments=50 # 1wqaA read from 1wqaA/merged-good-all-a2m # found chain 1wqaA in template set T0375 41 :ASNSCTILSLLGAP 1wqaA 27 :GMAFGTLLKREGRK T0375 55 :CAFMGSMAP 1wqaA 43 :LVVVGRDTR T0375 64 :GHVADFVLDDLRRYSVDLRYTVFQ 1wqaA 55 :EMLKEALISGLLSVGCDVIDVGIA T0375 90 :GSVPIATV 1wqaA 91 :NADGGAVI T0375 99 :INEA 1wqaA 99 :TASH T0375 103 :SGSRTILYYDRSLPDVSATDFEKV 1wqaA 105 :PEYNGIKLLEPNGMGLKKEREAIV T0375 127 :DLTQFK 1wqaA 133 :FKEDFD T0375 144 :QVKMLQRI 1wqaA 155 :KPYIEAIK T0375 152 :DAHNTRQPPEQKIRVSVEVEKPREELFQL 1wqaA 169 :AIKKRKPFVVVDTSNGAGSLTLPYLLREL T0375 183 :YGDVVFVS 1wqaA 198 :GCKVITVN T0375 205 :ALRGLYGRVRKGAVLVCAWA 1wqaA 225 :KEFMEIVKALGADFGVAQDG T0375 225 :EEGADALGPDGKLLH 1wqaA 246 :ADRAVFIDENGRFIQ T0375 255 :GDTFNASVIFSLSQ 1wqaA 261 :GDKTFALVADAVLK T0375 269 :GR 1wqaA 277 :GG Number of specific fragments extracted= 14 number of extra gaps= 0 total=790 Number of alignments=51 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1ofuA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1ofuA expands to /projects/compbio/data/pdb/1ofu.pdb.gz 1ofuA:# T0375 read from 1ofuA/merged-good-all-a2m # 1ofuA read from 1ofuA/merged-good-all-a2m # adding 1ofuA to template set # found chain 1ofuA in template set T0375 1 :GSQILCVG 1ofuA 11 :TAVIKVIG T0375 38 :GGNASNSCTILSLLGAP 1ofuA 20 :GGGGGNAVNHMAKNNVE T0375 55 :CAFMGSMAPGHVA 1ofuA 38 :VEFICANTDAQAL T0375 78 :SVDLRYTVFQT 1ofuA 52 :NIAARTVLQLG T0375 103 :SGSR 1ofuA 67 :KGLG T0375 114 :S 1ofuA 71 :A T0375 117 :DVSATDFE 1ofuA 72 :GANPEVGR T0375 125 :KVD 1ofuA 84 :EDR T0375 128 :LTQFKWIHI 1ofuA 93 :LEGADMVFI T0375 137 :EGRNASEQ 1ofuA 104 :GMGGGTGT T0375 145 :VKMLQRIDAHNTRQPP 1ofuA 115 :PIIAEVAKEMGILTVA T0375 186 :VVFV 1ofuA 131 :VVTR T0375 190 :SKDVAKH 1ofuA 140 :GRKRMQI T0375 202 :AEEALRGLYGR 1ofuA 147 :ADEGIRALAES T0375 216 :GAVLVCA 1ofuA 158 :VDSLITI T0375 261 :SVIFSLSQGRSVQEALRFGCQVAGKKCG 1ofuA 168 :KLLTILGKDASLLAAFAKADDVLAGAVR T0375 289 :LQGFDGI 1ofuA 203 :RPGMINV Number of specific fragments extracted= 17 number of extra gaps= 0 total=807 Number of alignments=52 # 1ofuA read from 1ofuA/merged-good-all-a2m # found chain 1ofuA in template set T0375 1 :GSQILCVG 1ofuA 11 :TAVIKVIG T0375 38 :GGNASNSCTILSLLGAP 1ofuA 20 :GGGGGNAVNHMAKNNVE T0375 55 :CAFMGSMAPGHVA 1ofuA 38 :VEFICANTDAQAL T0375 78 :SVDLRYTVFQT 1ofuA 52 :NIAARTVLQLG T0375 112 :DRSLPDVSATDFEKV 1ofuA 67 :KGLGAGANPEVGRQA T0375 128 :LTQFKWIHIE 1ofuA 93 :LEGADMVFIT T0375 138 :GRNA 1ofuA 105 :MGGG T0375 143 :EQVKMLQRIDAHNTRQPPEQKIRVSVEVEKPREELFQLF 1ofuA 113 :AAPIIAEVAKEMGILTVAVVTRPFPFEGRKRMQIADEGI T0375 182 :GYGD 1ofuA 156 :ESVD T0375 186 :VVFVSKDVAKHL 1ofuA 161 :LITIPNEKLLTI T0375 198 :GFQ 1ofuA 174 :GKD T0375 201 :SAEEALRGLYGRV 1ofuA 178 :SLLAAFAKADDVL T0375 277 :RFGCQVAGKKCGLQGFDGI 1ofuA 191 :AGAVRGISDIIKRPGMINV Number of specific fragments extracted= 13 number of extra gaps= 0 total=820 Number of alignments=53 # 1ofuA read from 1ofuA/merged-good-all-a2m # found chain 1ofuA in template set T0375 3 :QILCVG 1ofuA 13 :VIKVIG T0375 37 :RGGNASNSCTILSLLGAP 1ofuA 19 :VGGGGGNAVNHMAKNNVE T0375 55 :CAFMGSMAPGHV 1ofuA 38 :VEFICANTDAQA T0375 78 :SVDLRYTVFQ 1ofuA 52 :NIAARTVLQL T0375 88 :TT 1ofuA 67 :KG T0375 109 :LYYDRSLPDVSATDF 1ofuA 69 :LGAGANPEVGRQAAL T0375 124 :EKVDLTQFKWIHIEGRNASE 1ofuA 89 :ISEVLEGADMVFITTGMGGG T0375 144 :QVKMLQRIDAHNTRQPPEQKIRVSVEVE 1ofuA 112 :GAAPIIAEVAKEMGILTVAVVTRPFPFE T0375 172 :KPREELFQLF 1ofuA 145 :QIADEGIRAL T0375 182 :GYGD 1ofuA 156 :ESVD T0375 186 :VVFVSKDVAKHLGFQS 1ofuA 161 :LITIPNEKLLTILGKD T0375 202 :AEEALRGLY 1ofuA 178 :SLLAAFAKA T0375 256 :DTFNASVIFSLSQ 1ofuA 187 :DDVLAGAVRGISD T0375 269 :GRSVQEALR 1ofuA 208 :NVDFADVKT Number of specific fragments extracted= 14 number of extra gaps= 0 total=834 Number of alignments=54 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1v8aA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1v8aA expands to /projects/compbio/data/pdb/1v8a.pdb.gz 1v8aA:Skipped atom 1137, because occupancy 0.500 <= existing 0.500 in 1v8aA Skipped atom 1139, because occupancy 0.500 <= existing 0.500 in 1v8aA Skipped atom 1141, because occupancy 0.500 <= existing 0.500 in 1v8aA Skipped atom 1143, because occupancy 0.500 <= existing 0.500 in 1v8aA # T0375 read from 1v8aA/merged-good-all-a2m # 1v8aA read from 1v8aA/merged-good-all-a2m # adding 1v8aA to template set # found chain 1v8aA in template set T0375 44 :SCTILSLL 1v8aA 4 :IIEALKRV T0375 54 :PCAFMGSMA 1v8aA 15 :RPLVHNITN T0375 64 :GHVADFVLDDLRRYSVDL 1v8aA 24 :FVVMNTTANALLALGASP T0375 84 :TVF 1v8aA 42 :VMA T0375 118 :VSATDFEKV 1v8aA 45 :HAEEELEEM T0375 128 :LTQFKWIHIE 1v8aA 54 :IRLADAVVIN T0375 138 :GRNASEQ 1v8aA 65 :GTLDSGW T0375 145 :VKMLQRIDAHNTRQPPEQ 1v8aA 76 :VKATEIANELGKPIVLDP T0375 163 :KIRVS 1v8aA 95 :GAGAT T0375 171 :EKPREELFQLFGY 1v8aA 100 :KFRTRVSLEILSR T0375 184 :GDVVFVSKDVAKHL 1v8aA 114 :VDVLKGNFGEISAL T0375 198 :GF 1v8aA 129 :GE T0375 200 :QSAEEALRGLYGR 1v8aA 145 :EEAKKLTMNAARE T0375 214 :RKG 1v8aA 158 :FNT T0375 218 :VLVCAW 1v8aA 161 :TVAVTG T0375 226 :EGADALG 1v8aA 167 :AVDYVSD T0375 234 :DGKLLHSDAF 1v8aA 174 :GRRTFAVYNG T0375 245 :PPRVVDTLGAGDTFNASVIFSLSQ 1v8aA 184 :HELLGRVTGTGCMVAALTGAFVAV T0375 270 :RSVQEALRFGCQVAGKKCG 1v8aA 208 :TEPLKATTSALVTFGIAAE Number of specific fragments extracted= 19 number of extra gaps= 0 total=853 Number of alignments=55 # 1v8aA read from 1v8aA/merged-good-all-a2m # found chain 1v8aA in template set Warning: unaligning (T0375)S201 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1v8aA)G143 Warning: unaligning (T0375)A202 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (1v8aA)E144 T0375 54 :PCAFMGSMAP 1v8aA 15 :RPLVHNITNF T0375 65 :HVADFVLDDLRRYSVDLRY 1v8aA 25 :VVMNTTANALLALGASPVM T0375 117 :DVSATDFEKV 1v8aA 44 :AHAEEELEEM T0375 128 :LTQFKWIHIEGRNA 1v8aA 54 :IRLADAVVINIGTL T0375 142 :S 1v8aA 69 :S T0375 143 :EQVKMLQRIDAHNTRQPPEQ 1v8aA 74 :SMVKATEIANELGKPIVLDP T0375 163 :KIRVS 1v8aA 95 :GAGAT T0375 171 :EKPREELFQLF 1v8aA 100 :KFRTRVSLEIL T0375 182 :GYGDVVFVSKDVAKHL 1v8aA 112 :RGVDVLKGNFGEISAL T0375 198 :G 1v8aA 129 :G T0375 203 :EEALRGLYGRVRK 1v8aA 145 :EEAKKLTMNAARE T0375 216 :GAVLVCAW 1v8aA 159 :NTTVAVTG T0375 226 :EGADALGPD 1v8aA 167 :AVDYVSDGR T0375 236 :KLLHSDAF 1v8aA 176 :RTFAVYNG T0375 245 :PPRVVDTLGAGDTFNASVIFSLSQ 1v8aA 184 :HELLGRVTGTGCMVAALTGAFVAV T0375 270 :RSVQEALRFGCQVAGKKCG 1v8aA 208 :TEPLKATTSALVTFGIAAE Number of specific fragments extracted= 16 number of extra gaps= 0 total=869 Number of alignments=56 # 1v8aA read from 1v8aA/merged-good-all-a2m # found chain 1v8aA in template set Warning: unaligning (T0375)S201 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1v8aA)G143 Warning: unaligning (T0375)A202 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (1v8aA)E144 T0375 44 :SCTILSLL 1v8aA 4 :IIEALKRV T0375 52 :GAPCAFMGS 1v8aA 15 :RPLVHNITN T0375 64 :GHVADFVLDDLRRYSVDLRYTVFQTT 1v8aA 24 :FVVMNTTANALLALGASPVMAHAEEE T0375 123 :F 1v8aA 50 :L T0375 125 :KVDLTQFKWIHIEGRNASE 1v8aA 51 :EEMIRLADAVVINIGTLDS T0375 144 :QVKMLQRIDAHNTRQPPEQKIRVSVEVEKPREELFQLF 1v8aA 73 :RSMVKATEIANELGKPIVLDPVGAGATKFRTRVSLEIL T0375 182 :GYGDVVFVSKDVAKHLGFQ 1v8aA 112 :RGVDVLKGNFGEISALLGE T0375 203 :EEALRGLYGRVR 1v8aA 145 :EEAKKLTMNAAR T0375 215 :KG 1v8aA 159 :NT T0375 218 :VLVCA 1v8aA 161 :TVAVT T0375 225 :EEGADALGPDGK 1v8aA 166 :GAVDYVSDGRRT T0375 238 :LHSDAFPP 1v8aA 178 :FAVYNGHE T0375 251 :TLGAG 1v8aA 190 :VTGTG T0375 257 :TFNASVIFSLSQGRSVQEALRFGCQVAGKKCGL 1v8aA 195 :CMVAALTGAFVAVTEPLKATTSALVTFGIAAEK Number of specific fragments extracted= 14 number of extra gaps= 0 total=883 Number of alignments=57 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2liv/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2liv expands to /projects/compbio/data/pdb/2liv.pdb.gz 2liv:Warning: there is no chain 2liv will retry with 2livA # T0375 read from 2liv/merged-good-all-a2m # 2liv read from 2liv/merged-good-all-a2m # adding 2liv to template set # found chain 2liv in template set Warning: unaligning (T0375)G8 because of BadResidue code BAD_PEPTIDE in next template residue (2liv)A10 Warning: unaligning (T0375)K23 because of BadResidue code BAD_PEPTIDE in next template residue (2liv)S12 Warning: unaligning (T0375)E24 because of BadResidue code BAD_PEPTIDE at template residue (2liv)S12 Warning: unaligning (T0375)L48 because of BadResidue code BAD_PEPTIDE in next template residue (2liv)L133 Warning: unaligning (T0375)S49 because of BadResidue code BAD_PEPTIDE at template residue (2liv)L133 Warning: unaligning (T0375)Y77 because of BadResidue code BAD_PEPTIDE in next template residue (2liv)N166 Warning: unaligning (T0375)S78 because of BadResidue code BAD_PEPTIDE at template residue (2liv)N166 Warning: unaligning (T0375)V79 because of BadResidue code BAD_PEPTIDE in next template residue (2liv)N168 Warning: unaligning (T0375)D80 because of BadResidue code BAD_PEPTIDE at template residue (2liv)N168 Warning: unaligning (T0375)Y83 because of BadResidue code BAD_PEPTIDE in next template residue (2liv)F172 Warning: unaligning (T0375)T84 because of BadResidue code BAD_PEPTIDE at template residue (2liv)F172 Warning: unaligning (T0375)D127 because of BadResidue code BAD_PEPTIDE in next template residue (2liv)K191 Warning: unaligning (T0375)L128 because of BadResidue code BAD_PEPTIDE at template residue (2liv)K191 Warning: unaligning (T0375)E171 because of BadResidue code BAD_PEPTIDE in next template residue (2liv)S232 Warning: unaligning (T0375)K172 because of BadResidue code BAD_PEPTIDE at template residue (2liv)S232 Warning: unaligning (T0375)F178 because of BadResidue code BAD_PEPTIDE in next template residue (2liv)E239 Warning: unaligning (T0375)Q179 because of BadResidue code BAD_PEPTIDE at template residue (2liv)E239 Warning: unaligning (T0375)L197 because of BadResidue code BAD_PEPTIDE in next template residue (2liv)K266 Warning: unaligning (T0375)L237 because of BadResidue code BAD_PEPTIDE in next template residue (2liv)T341 Warning: unaligning (T0375)L238 because of BadResidue code BAD_PEPTIDE at template residue (2liv)T341 T0375 1 :GSQILCV 2liv 2 :DIKVAVV T0375 25 :DSEI 2liv 13 :GPVA T0375 41 :ASNSCTI 2liv 125 :GPTAAKY T0375 52 :GAPCAFMGSMAP 2liv 137 :KPQRIAIVHDKQ T0375 64 :GHVADFVLDDLRR 2liv 152 :EGLARAVQDGLKK T0375 81 :LR 2liv 169 :VV T0375 85 :VFQTT 2liv 173 :DGITA T0375 103 :SGS 2liv 178 :GEK T0375 117 :DV 2liv 181 :DF T0375 120 :ATDFEKV 2liv 183 :STLVARL T0375 129 :TQFKWIHIEGR 2liv 192 :ENIDFVYYGGY T0375 141 :ASEQVKMLQRIDAHNTR 2liv 203 :HPEMGQILRQARAAGLK T0375 158 :QPPEQK 2liv 221 :QFMGPE T0375 167 :SVEV 2liv 227 :GVAN T0375 173 :PREEL 2liv 233 :LSNIA T0375 180 :LFGYGDVVFVS 2liv 240 :SAEGLLVTKPK T0375 191 :KDVAKH 2liv 259 :KPIVDA T0375 200 :QSAEEALRGLYGRV 2liv 295 :DDPAEIAKYLKANS T0375 216 :GA 2liv 309 :VD T0375 221 :CAWAEEG 2liv 316 :LTWDEKG T0375 228 :ADALGPDGK 2liv 331 :VFDWHANGT T0375 239 :HS 2liv 342 :DA Number of specific fragments extracted= 22 number of extra gaps= 10 total=905 Number of alignments=58 # 2liv read from 2liv/merged-good-all-a2m # found chain 2liv in template set Warning: unaligning (T0375)S2 because of BadResidue code BAD_PEPTIDE at template residue (2liv)D2 Warning: unaligning (T0375)G8 because of BadResidue code BAD_PEPTIDE in next template residue (2liv)A10 Warning: unaligning (T0375)L9 because of BadResidue code BAD_PEPTIDE at template residue (2liv)A10 Warning: unaligning (T0375)V10 because of BadResidue code BAD_PEPTIDE in next template residue (2liv)S12 Warning: unaligning (T0375)K23 because of BadResidue code BAD_PEPTIDE at template residue (2liv)S12 Warning: unaligning (T0375)S49 because of BadResidue code BAD_PEPTIDE in next template residue (2liv)N67 Warning: unaligning (T0375)L50 because of BadResidue code BAD_PEPTIDE at template residue (2liv)N67 Warning: unaligning (T0375)G59 because of BadResidue code BAD_PEPTIDE in next template residue (2liv)H76 Warning: unaligning (T0375)S60 because of BadResidue code BAD_PEPTIDE at template residue (2liv)H76 Warning: unaligning (T0375)V66 because of BadResidue code BAD_PEPTIDE in next template residue (2liv)T82 Warning: unaligning (T0375)A67 because of BadResidue code BAD_PEPTIDE at template residue (2liv)T82 Warning: unaligning (T0375)Y111 because of BadResidue code BAD_PEPTIDE in next template residue (2liv)T118 Warning: unaligning (T0375)D112 because of BadResidue code BAD_PEPTIDE at template residue (2liv)T118 Warning: unaligning (T0375)R113 because of BadResidue code BAD_PEPTIDE at template residue (2liv)G119 Warning: unaligning (T0375)H154 because of BadResidue code BAD_PEPTIDE in next template residue (2liv)N166 Warning: unaligning (T0375)N155 because of BadResidue code BAD_PEPTIDE at template residue (2liv)N166 Warning: unaligning (T0375)T156 because of BadResidue code BAD_PEPTIDE in next template residue (2liv)N168 Warning: unaligning (T0375)R157 because of BadResidue code BAD_PEPTIDE at template residue (2liv)N168 Warning: unaligning (T0375)P160 because of BadResidue code BAD_PEPTIDE in next template residue (2liv)F172 Warning: unaligning (T0375)E161 because of BadResidue code BAD_PEPTIDE at template residue (2liv)F172 Warning: unaligning (T0375)F178 because of BadResidue code BAD_PEPTIDE in next template residue (2liv)K191 Warning: unaligning (T0375)Q179 because of BadResidue code BAD_PEPTIDE at template residue (2liv)K191 Warning: unaligning (T0375)S267 because of BadResidue code BAD_PEPTIDE in next template residue (2liv)Q293 Warning: unaligning (T0375)Q268 because of BadResidue code BAD_PEPTIDE at template residue (2liv)Q293 T0375 3 :QILCV 2liv 4 :KVAVV T0375 41 :ASNSCTIL 2liv 58 :AVAVANKV T0375 51 :LGAPC 2liv 68 :DGIKY T0375 57 :FM 2liv 73 :VI T0375 61 :MAP 2liv 77 :LCS T0375 65 :H 2liv 80 :S T0375 68 :DFVLDDLRRYSV 2liv 83 :QPASDIYEDEGI T0375 83 :YTVF 2liv 95 :LMIT T0375 87 :QTTG 2liv 103 :APEL T0375 101 :EASGSRTILY 2liv 107 :TARGYQLILR T0375 114 :SLPD 2liv 120 :LDSD T0375 122 :DFEKVD 2liv 124 :QGPTAA T0375 128 :LT 2liv 138 :PQ T0375 132 :KWIHIEGRNA 2liv 140 :RIAIVHDKQQ T0375 143 :EQVKMLQRIDA 2liv 154 :LARAVQDGLKK T0375 158 :QP 2liv 169 :VV T0375 162 :Q 2liv 173 :D T0375 163 :KIRVSV 2liv 177 :AGEKDF T0375 171 :EKPREEL 2liv 183 :STLVARL T0375 182 :GYGDVVFVS 2liv 192 :ENIDFVYYG T0375 200 :QSAEEALRGLYGRVRKGA 2liv 201 :GYHPEMGQILRQARAAGL T0375 218 :VLVCAWAE 2liv 221 :QFMGPEGV T0375 226 :EGADALGP 2liv 242 :EGLLVTKP T0375 251 :TLGA 2liv 272 :PSGA T0375 255 :GDTFNA 2liv 278 :WTTYAA T0375 261 :SVIFSL 2liv 286 :SLQAGL T0375 269 :GRSVQEALRFGCQ 2liv 294 :SDDPAEIAKYLKA Number of specific fragments extracted= 27 number of extra gaps= 10 total=932 Number of alignments=59 # 2liv read from 2liv/merged-good-all-a2m # found chain 2liv in template set Warning: unaligning (T0375)L48 because of BadResidue code BAD_PEPTIDE in next template residue (2liv)L133 Warning: unaligning (T0375)S49 because of BadResidue code BAD_PEPTIDE at template residue (2liv)L133 Warning: unaligning (T0375)Y77 because of BadResidue code BAD_PEPTIDE in next template residue (2liv)N166 Warning: unaligning (T0375)S78 because of BadResidue code BAD_PEPTIDE at template residue (2liv)N166 Warning: unaligning (T0375)V79 because of BadResidue code BAD_PEPTIDE in next template residue (2liv)N168 Warning: unaligning (T0375)D80 because of BadResidue code BAD_PEPTIDE at template residue (2liv)N168 Warning: unaligning (T0375)Y83 because of BadResidue code BAD_PEPTIDE in next template residue (2liv)F172 Warning: unaligning (T0375)T84 because of BadResidue code BAD_PEPTIDE at template residue (2liv)F172 Warning: unaligning (T0375)D127 because of BadResidue code BAD_PEPTIDE in next template residue (2liv)K191 Warning: unaligning (T0375)L128 because of BadResidue code BAD_PEPTIDE at template residue (2liv)K191 Warning: unaligning (T0375)E171 because of BadResidue code BAD_PEPTIDE in next template residue (2liv)S232 Warning: unaligning (T0375)K172 because of BadResidue code BAD_PEPTIDE at template residue (2liv)S232 Warning: unaligning (T0375)F178 because of BadResidue code BAD_PEPTIDE in next template residue (2liv)E239 Warning: unaligning (T0375)Q179 because of BadResidue code BAD_PEPTIDE at template residue (2liv)E239 Warning: unaligning (T0375)G211 because of BadResidue code BAD_PEPTIDE in next template residue (2liv)K266 Warning: unaligning (T0375)R212 because of BadResidue code BAD_PEPTIDE at template residue (2liv)K266 Warning: unaligning (T0375)S267 because of BadResidue code BAD_PEPTIDE in next template residue (2liv)Q293 Warning: unaligning (T0375)Q268 because of BadResidue code BAD_PEPTIDE at template residue (2liv)Q293 T0375 40 :NASNSCTI 2liv 124 :QGPTAAKY T0375 50 :LL 2liv 134 :EK T0375 53 :APCAFMG 2liv 139 :QRIAIVH T0375 61 :MAP 2liv 146 :DKQ T0375 64 :GHVADFVLDDLRR 2liv 152 :EGLARAVQDGLKK T0375 81 :LR 2liv 169 :VV T0375 85 :VFQTTGS 2liv 173 :DGITAGE T0375 117 :DVSATDFEKV 2liv 180 :KDFSTLVARL T0375 129 :TQFKWIHIEGRN 2liv 192 :ENIDFVYYGGYH T0375 144 :QVKMLQRIDAHNTRQPPEQKIRVSVEV 2liv 204 :PEMGQILRQARAAGLKTQFMGPEGVAN T0375 173 :PREEL 2liv 233 :LSNIA T0375 180 :LFGYGDVVFVS 2liv 240 :SAEGLLVTKPK T0375 201 :SAEEA 2liv 257 :ANKPI T0375 208 :GLY 2liv 262 :VDA T0375 213 :VRKG 2liv 267 :AKKQ T0375 232 :GPDGK 2liv 271 :DPSGA T0375 257 :TFNA 2liv 280 :TYAA T0375 261 :SVIFSL 2liv 286 :SLQAGL T0375 269 :GRSVQEALRFGCQ 2liv 294 :SDDPAEIAKYLKA Number of specific fragments extracted= 19 number of extra gaps= 8 total=951 Number of alignments=60 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1td2A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1td2A expands to /projects/compbio/data/pdb/1td2.pdb.gz 1td2A:# T0375 read from 1td2A/merged-good-all-a2m # 1td2A read from 1td2A/merged-good-all-a2m # adding 1td2A to template set # found chain 1td2A in template set T0375 2 :SQILCVG 1td2A 3 :KNILAIQ T0375 33 :QRWQRGGNASNSCT 1td2A 10 :SHVVYGHAGNSAAE T0375 47 :ILSLLGAPCAFMG 1td2A 25 :PMRRLGANVWPLN T0375 83 :YTVFQTT 1td2A 38 :TVQFSNH T0375 101 :EASGSRTILY 1td2A 45 :TQYGKWTGCV T0375 118 :VSATDFE 1td2A 55 :MPPSHLT T0375 125 :KVDLTQFKWIHIEGRNASEQ 1td2A 70 :IDKLHTCDAVLSGYLGSAEQ T0375 145 :VKMLQRIDAH 1td2A 94 :LGIVRQVKAA T0375 155 :NTRQPPEQKIRVSVEV 1td2A 106 :QAKYFCDPVMGHPEKG T0375 171 :EKPREELFQ 1td2A 126 :PGVAEFHVR T0375 180 :LFGYGDVVFVSKDVAKHL 1td2A 136 :GLPASDIIAPNLVELEIL T0375 198 :GF 1td2A 155 :EH T0375 200 :QSAEEALRGLYGRV 1td2A 162 :EEAVLAARELIAQG T0375 216 :GAVLVCAWAEEG 1td2A 176 :PQIVLVKHLARA T0375 228 :ADALG 1td2A 196 :MLLVT T0375 234 :DGKLLHSDA 1td2A 201 :ADEAWHISR T0375 244 :PPPRV 1td2A 210 :PLVDF T0375 249 :VDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCG 1td2A 217 :RQPVGVGDVTSGLLLVKLLQGATLQEALEHVTAAVYEIMV Number of specific fragments extracted= 18 number of extra gaps= 0 total=969 Number of alignments=61 # 1td2A read from 1td2A/merged-good-all-a2m # found chain 1td2A in template set T0375 1 :GSQILCVGL 1td2A 2 :MKNILAIQS T0375 34 :RWQRGGNASNSCT 1td2A 11 :HVVYGHAGNSAAE T0375 47 :ILSLLGAPCAFMG 1td2A 25 :PMRRLGANVWPLN T0375 83 :YTVFQTT 1td2A 38 :TVQFSNH T0375 101 :EASGSRTILY 1td2A 45 :TQYGKWTGCV T0375 118 :VSATDFEKV 1td2A 55 :MPPSHLTEI T0375 128 :LTQFKWIHIEGRNAS 1td2A 73 :LHTCDAVLSGYLGSA T0375 143 :EQVKMLQRIDAH 1td2A 92 :HILGIVRQVKAA T0375 155 :NTRQPPEQ 1td2A 106 :QAKYFCDP T0375 163 :KIRVSVEVEKPREELF 1td2A 118 :PEKGCIVAPGVAEFHV T0375 179 :QLFGYGDVVFVSKDVAKHL 1td2A 135 :HGLPASDIIAPNLVELEIL T0375 198 :GFQ 1td2A 155 :EHA T0375 201 :SAEEALRGLYGRVRKGA 1td2A 160 :NVEEAVLAARELIAQGP T0375 218 :VLVCAWAEEG 1td2A 178 :IVLVKHLARA T0375 228 :ADALGPD 1td2A 196 :MLLVTAD T0375 236 :KLLHSDAF 1td2A 203 :EAWHISRP T0375 245 :PPRV 1td2A 211 :LVDF T0375 249 :VDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKC 1td2A 217 :RQPVGVGDVTSGLLLVKLLQGATLQEALEHVTAAVYEIM Number of specific fragments extracted= 18 number of extra gaps= 0 total=987 Number of alignments=62 # 1td2A read from 1td2A/merged-good-all-a2m # found chain 1td2A in template set T0375 1 :GSQILCVGL 1td2A 2 :MKNILAIQS T0375 34 :RWQRGGNASNSC 1td2A 11 :HVVYGHAGNSAA T0375 46 :TILSLLGAPCAFMGSM 1td2A 24 :FPMRRLGANVWPLNTV T0375 82 :RYTVFQTTGSVP 1td2A 42 :SNHTQYGKWTGC T0375 109 :LYYDRSLPDVSATDFEKVDLTQFKWIHIEGRNASE 1td2A 54 :VMPPSHLTEIVQGIAAIDKLHTCDAVLSGYLGSAE T0375 144 :QVKMLQRIDAHN 1td2A 91 :EHILGIVRQVKA T0375 156 :TRQPPEQKIRVSVEVE 1td2A 105 :PQAKYFCDPVMGHPEK T0375 172 :KPREELFQLF 1td2A 127 :GVAEFHVRHG T0375 182 :GYGDVVFVSKDVAKHLGFQ 1td2A 138 :PASDIIAPNLVELEILCEH T0375 202 :AEEALRGLYGRVRKGAVLVCAWAEE 1td2A 162 :EEAVLAARELIAQGPQIVLVKHLAR T0375 227 :GADALGPDGKLLHSDAFPPPRVVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKK 1td2A 195 :EMLLVTADEAWHISRPLVDFGMRQPVGVGDVTSGLLLVKLLQGATLQEALEHVTAAVYEI Number of specific fragments extracted= 11 number of extra gaps= 0 total=998 Number of alignments=63 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2ajrA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2ajrA expands to /projects/compbio/data/pdb/2ajr.pdb.gz 2ajrA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 920, because occupancy 0.500 <= existing 0.500 in 2ajrA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 924, because occupancy 0.500 <= existing 0.500 in 2ajrA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 926, because occupancy 0.500 <= existing 0.500 in 2ajrA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 928, because occupancy 0.500 <= existing 0.500 in 2ajrA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 930, because occupancy 0.500 <= existing 0.500 in 2ajrA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # T0375 read from 2ajrA/merged-good-all-a2m # 2ajrA read from 2ajrA/merged-good-all-a2m # adding 2ajrA to template set # found chain 2ajrA in template set Warning: unaligning (T0375)S2 because first residue in template chain is (2ajrA)H0 Warning: unaligning (T0375)V11 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2ajrA)L11 Warning: unaligning (T0375)L12 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2ajrA)L11 T0375 3 :QILCVG 2ajrA 1 :MVLTVT T0375 9 :LV 2ajrA 8 :NP T0375 13 :DVISLVDKY 2ajrA 12 :DREIFIEDF T0375 23 :KEDSEIRCLSQ 2ajrA 21 :QVNRLYRINDL T0375 34 :RWQRGGNASNSCTILSLLGAPCAFMGSMA 2ajrA 35 :QMSPGGKGINVSIALSKLGVPSVATGFVG T0375 64 :GHVADFVLDDLRRY 2ajrA 64 :GYMGKILVEELRKI T0375 79 :VDLRYTVF 2ajrA 81 :ITTNFVYV T0375 89 :TGSVPIATVIINEASGSRTILYYDRS 2ajrA 89 :EGETRENIEIIDEKNKTITAINFPGP T0375 117 :DVSATDFEKVD 2ajrA 115 :DVTDMDVNHFL T0375 128 :LTQFKWIHIEGRNASEQ 2ajrA 132 :LSKVDCVVISGSIPPGV T0375 145 :VKMLQRIDAHNTRQPPEQK 2ajrA 154 :NELVRLARERGVFVFVEQT T0375 174 :REELFQLF 2ajrA 173 :PRLLERIY T0375 182 :GYGDVVFVS 2ajrA 184 :EFPNVVKPD T0375 197 :L 2ajrA 193 :L T0375 198 :GF 2ajrA 195 :GN T0375 200 :QSAEEALRGLYGR 2ajrA 209 :DDYVKLAEKLAEK T0375 216 :GAVLVCAWAEEGADALG 2ajrA 222 :SQVSVVSYEVKNDIVAT T0375 234 :DGKLLHSDAFPPPRVVDTLGAGDTFNASVIFSLSQ 2ajrA 239 :REGVWLIRSKEEIDTSHLLGAGDAYVAGMVYYFIK T0375 269 :GRSVQEALRFGCQVAGKKCGLQG 2ajrA 275 :GANFLEMAKFGFASALAATRRKE Number of specific fragments extracted= 19 number of extra gaps= 1 total=1017 Number of alignments=64 # 2ajrA read from 2ajrA/merged-good-all-a2m # found chain 2ajrA in template set Warning: unaligning (T0375)S2 because first residue in template chain is (2ajrA)H0 Warning: unaligning (T0375)V11 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2ajrA)L11 Warning: unaligning (T0375)L12 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2ajrA)L11 T0375 3 :QILCVG 2ajrA 1 :MVLTVT T0375 9 :LV 2ajrA 8 :NP T0375 13 :DVISLVDK 2ajrA 12 :DREIFIED T0375 22 :PKEDSEIRCLS 2ajrA 20 :FQVNRLYRIND T0375 33 :QRWQRGGNASNSCTILSLLGAPCAFMGSMAP 2ajrA 34 :TQMSPGGKGINVSIALSKLGVPSVATGFVGG T0375 65 :HVADFVLDDLRRY 2ajrA 65 :YMGKILVEELRKI T0375 78 :SVDLRYTVF 2ajrA 80 :LITTNFVYV T0375 89 :TGSVPIATVIINEASGSRTILYYDR 2ajrA 89 :EGETRENIEIIDEKNKTITAINFPG T0375 116 :PDVSATDFEKVD 2ajrA 114 :PDVTDMDVNHFL T0375 128 :LTQFKWIHIEGRNAS 2ajrA 132 :LSKVDCVVISGSIPP T0375 143 :EQVKMLQRIDAHNTRQPPEQ 2ajrA 152 :ICNELVRLARERGVFVFVEQ T0375 173 :PREELFQLF 2ajrA 172 :TPRLLERIY T0375 182 :GYGDVVFVS 2ajrA 184 :EFPNVVKPD T0375 197 :LGFQ 2ajrA 201 :LGVD T0375 201 :SAEEALRGLYGRVRK 2ajrA 207 :TFDDYVKLAEKLAEK T0375 217 :A 2ajrA 222 :S T0375 218 :VLVCAWAEEGADALGPD 2ajrA 224 :VSVVSYEVKNDIVATRE T0375 236 :KLLHSDAFPPPRVVDTLGAGDTFNASVIFSLSQ 2ajrA 241 :GVWLIRSKEEIDTSHLLGAGDAYVAGMVYYFIK T0375 269 :GRSVQEALRFGCQVAGKKCGLQG 2ajrA 275 :GANFLEMAKFGFASALAATRRKE Number of specific fragments extracted= 19 number of extra gaps= 1 total=1036 Number of alignments=65 # 2ajrA read from 2ajrA/merged-good-all-a2m # found chain 2ajrA in template set Warning: unaligning (T0375)V11 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2ajrA)L11 Warning: unaligning (T0375)L12 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2ajrA)L11 T0375 4 :ILCVG 2ajrA 2 :VLTVT T0375 9 :LV 2ajrA 8 :NP T0375 13 :DVISLVDK 2ajrA 12 :DREIFIED T0375 22 :PKEDSEIRCL 2ajrA 20 :FQVNRLYRIN T0375 32 :SQRWQRGGNASNSCTILSLLGAPCAFMGSMA 2ajrA 33 :KTQMSPGGKGINVSIALSKLGVPSVATGFVG T0375 64 :GHVADFVLDDLRRY 2ajrA 64 :GYMGKILVEELRKI T0375 78 :SVDLRYTVFQTTGSVPI 2ajrA 80 :LITTNFVYVEGETRENI T0375 97 :VIINEASGSRTILYYDR 2ajrA 97 :EIIDEKNKTITAINFPG T0375 117 :DVSATDFEKV 2ajrA 115 :DVTDMDVNHF T0375 127 :DLTQFKWIHIEGRNASE 2ajrA 131 :TLSKVDCVVISGSIPPG T0375 144 :QVKMLQRIDAHNTRQPPEQKIRV 2ajrA 151 :GICNELVRLARERGVFVFVEQTP T0375 175 :EELFQLF 2ajrA 174 :RLLERIY T0375 182 :GYGDVVFVS 2ajrA 184 :EFPNVVKPD T0375 197 :LGFQ 2ajrA 193 :LRGN T0375 201 :SAEEALRGLYGRVRKGAVLVCAWAEEGADALGPDGKL 2ajrA 207 :TFDDYVKLAEKLAEKSQVSVVSYEVKNDIVATREGVW T0375 239 :HSDAFPPPRVVDTLGAGDTFNASVIFSLSQ 2ajrA 244 :LIRSKEEIDTSHLLGAGDAYVAGMVYYFIK T0375 269 :GRSVQEALRFGCQVAGKKCGL 2ajrA 275 :GANFLEMAKFGFASALAATRR Number of specific fragments extracted= 17 number of extra gaps= 1 total=1053 Number of alignments=66 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1sviA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1sviA expands to /projects/compbio/data/pdb/1svi.pdb.gz 1sviA:# T0375 read from 1sviA/merged-good-all-a2m # 1sviA read from 1sviA/merged-good-all-a2m # adding 1sviA to template set # found chain 1sviA in template set Warning: unaligning (T0375)Y77 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1sviA)Q60 Warning: unaligning (T0375)V92 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1sviA)Q60 T0375 27 :EIRCLSQRWQRGG 1sviA 9 :VISAVKPEQYPEG T0375 52 :GAPCAFMGSMA 1sviA 22 :GLPEIALAGRS T0375 64 :GHVADFVLDDLRR 1sviA 33 :NVGKSSFINSLIN T0375 93 :PIATVII 1sviA 61 :TLNFYII T0375 103 :SGSRTILYYDR 1sviA 68 :NDELHFVDVPG T0375 114 :SLPDVSATDFEKVD 1sviA 80 :GFAKVSKSEREAWG T0375 128 :LTQFKWIHIEG 1sviA 103 :REELKAVVQIV T0375 139 :RNASEQVKMLQRIDAHNTRQPPEQKIRVSVEV 1sviA 118 :APSNDDVQMYEFLKYYGIPVIVIATKADKIPK T0375 171 :EKPREELFQLF 1sviA 153 :DKHAKVVRQTL T0375 182 :GYGDVVFVS 1sviA 167 :PEDELILFS T0375 197 :L 1sviA 176 :S T0375 198 :G 1sviA 178 :T T0375 200 :QSAEEALRGLYG 1sviA 183 :DEAWGAIKKMIN Number of specific fragments extracted= 13 number of extra gaps= 0 total=1066 Number of alignments=67 # 1sviA read from 1sviA/merged-good-all-a2m # found chain 1sviA in template set Warning: unaligning (T0375)Y77 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1sviA)Q60 Warning: unaligning (T0375)V92 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1sviA)Q60 T0375 19 :DKYPKED 1sviA 16 :EQYPEGG T0375 53 :APCAFMGSMA 1sviA 23 :LPEIALAGRS T0375 64 :GHVADFVLDDLRR 1sviA 33 :NVGKSSFINSLIN T0375 93 :PIATVII 1sviA 61 :TLNFYII T0375 103 :SGSRTILYYDR 1sviA 68 :NDELHFVDVPG T0375 114 :SLPDVSATDFEKVD 1sviA 80 :GFAKVSKSEREAWG T0375 128 :LTQFKWIHIEGRN 1sviA 103 :REELKAVVQIVDL T0375 142 :SEQVKMLQRIDAHNTRQPPEQ 1sviA 121 :NDDVQMYEFLKYYGIPVIVIA T0375 164 :I 1sviA 146 :K T0375 166 :VS 1sviA 147 :IP T0375 170 :V 1sviA 149 :K T0375 171 :EKPREELFQLF 1sviA 153 :DKHAKVVRQTL T0375 182 :GYGDVVFVS 1sviA 167 :PEDELILFS T0375 202 :AEEALRGLYGRVR 1sviA 182 :KDEAWGAIKKMIN Number of specific fragments extracted= 14 number of extra gaps= 0 total=1080 Number of alignments=68 # 1sviA read from 1sviA/merged-good-all-a2m # found chain 1sviA in template set Warning: unaligning (T0375)Y77 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1sviA)Q60 Warning: unaligning (T0375)S91 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1sviA)Q60 T0375 18 :VDKYPKED 1sviA 15 :PEQYPEGG T0375 53 :APCAFMGSMAPG 1sviA 23 :LPEIALAGRSNV T0375 66 :VADFVLDDLRR 1sviA 35 :GKSSFINSLIN T0375 92 :VPIATVI 1sviA 61 :TLNFYII T0375 102 :ASGSRTILYYDRSLPDVSATDFEKV 1sviA 68 :NDELHFVDVPGYGFAKVSKSEREAW T0375 127 :DLTQFKWIHIEGRNASE 1sviA 102 :TREELKAVVQIVDLRHA T0375 144 :QVKMLQRIDAHNTRQPPEQKIRVSVEVE 1sviA 121 :NDDVQMYEFLKYYGIPVIVIATKADKIP T0375 172 :KPREELFQLF 1sviA 154 :KHAKVVRQTL T0375 182 :GYGDVVFVS 1sviA 167 :PEDELILFS T0375 198 :GFQ 1sviA 176 :SET T0375 202 :AEEALRGLYGRVR 1sviA 182 :KDEAWGAIKKMIN Number of specific fragments extracted= 11 number of extra gaps= 0 total=1091 Number of alignments=69 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1liiA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0375 read from 1liiA/merged-good-all-a2m # 1liiA read from 1liiA/merged-good-all-a2m # found chain 1liiA in training set Warning: unaligning (T0375)V213 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1liiA)G270 T0375 1 :GSQILCVGLVVLDVISLVD 1liiA 12 :PMRVFAIGNPILDLVAEVP T0375 24 :EDSEI 1liiA 40 :KRGDA T0375 29 :RCLSQRWQRGGNASNSCTILSLL 1liiA 59 :DQFNPTSLPGGSALNSVRVVQKL T0375 52 :GAPCAFMGSMAPGHVADFVLDDLRRYSVDLRYTVF 1liiA 85 :PGSAGYMGAIGDDPRGQVLKELCDKEGLATRFMVA T0375 88 :TTGSVPIATVIIN 1liiA 120 :PGQSTGTCAVLIN T0375 103 :SGSRTILYYDRSLPDVS 1liiA 133 :EKERTLCTHLGACGSFR T0375 123 :FE 1liiA 150 :IP T0375 125 :KVDLTQFKWIHIEGR 1liiA 155 :TTFASGALIFYATAY T0375 140 :NASEQVKMLQRIDAH 1liiA 174 :TPKNALEVAGYAHGI T0375 155 :NTRQPPEQK 1liiA 190 :NAIFTLNLS T0375 166 :VSVEVEKPREELFQLFGYGDVVFVSKDVAKHL 1liiA 199 :APFCVELYKDAMQSLLLHTNILFGNEEEFAHL T0375 198 :GF 1liiA 235 :NL T0375 215 :KGAVLVCAWAEEGADAL 1liiA 271 :ATKLVVMTRGHNPVIAA T0375 232 :GPDGKLLHS 1liiA 290 :TADGTVVVH T0375 241 :DAFPPPRVVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCGLQGFD 1liiA 303 :PVVAAEKIVDTNGAGDAFVGGFLYGLSQGKTVKQCIMCGNACAQDVIQHVGFS Number of specific fragments extracted= 15 number of extra gaps= 0 total=1106 Number of alignments=70 # 1liiA read from 1liiA/merged-good-all-a2m # found chain 1liiA in training set Warning: unaligning (T0375)S201 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1liiA)G270 T0375 1 :GSQILCVGLVVLDVISLVD 1liiA 12 :PMRVFAIGNPILDLVAEVP T0375 22 :PKEDSEIRCL 1liiA 39 :LKRGDATLAT T0375 32 :SQRWQRGGNASNSCTILSLL 1liiA 62 :NPTSLPGGSALNSVRVVQKL T0375 52 :GAPCAFMGSMAPGHVADFVLDDLRRYSVDLRYTVF 1liiA 85 :PGSAGYMGAIGDDPRGQVLKELCDKEGLATRFMVA T0375 88 :TTGSVPIATVIIN 1liiA 120 :PGQSTGTCAVLIN T0375 103 :SGSRTILYYDRSLPDVS 1liiA 133 :EKERTLCTHLGACGSFR T0375 120 :ATDFEK 1liiA 151 :PENWTT T0375 127 :DLTQFKWIHIEGRNAS 1liiA 157 :FASGALIFYATAYTLT T0375 143 :EQVKMLQRIDAH 1liiA 177 :NALEVAGYAHGI T0375 155 :NTRQPPEQKIRVSV 1liiA 190 :NAIFTLNLSAPFCV T0375 171 :EKPREELFQLFGYGDVVFVSKDVAKHL 1liiA 204 :ELYKDAMQSLLLHTNILFGNEEEFAHL T0375 198 :GFQ 1liiA 235 :NLV T0375 216 :GA 1liiA 271 :AT T0375 218 :VLVCAWAEEGADAL 1liiA 274 :LVVMTRGHNPVIAA T0375 232 :GPDGKLL 1liiA 290 :TADGTVV T0375 239 :HSDAFP 1liiA 299 :EVGVPV T0375 245 :PPRVVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCGLQGFDG 1liiA 307 :AEKIVDTNGAGDAFVGGFLYGLSQGKTVKQCIMCGNACAQDVIQHVGFSL Number of specific fragments extracted= 17 number of extra gaps= 0 total=1123 Number of alignments=71 # 1liiA read from 1liiA/merged-good-all-a2m # found chain 1liiA in training set Warning: unaligning (T0375)R214 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1liiA)G270 T0375 1 :GSQILCVGLVVLDVISLVDK 1liiA 12 :PMRVFAIGNPILDLVAEVPS T0375 21 :YPKED 1liiA 46 :LATPE T0375 26 :SEIRCLSQRWQRGGNASNSCTILSLL 1liiA 56 :STLDQFNPTSLPGGSALNSVRVVQKL T0375 52 :GAPCAFMGSMAPGHVADFVLDDLRRYSVDLRYTVF 1liiA 85 :PGSAGYMGAIGDDPRGQVLKELCDKEGLATRFMVA T0375 88 :TTGSVPIATVIINEA 1liiA 120 :PGQSTGTCAVLINEK T0375 104 :GSRTILYYDRSLP 1liiA 135 :ERTLCTHLGACGS T0375 118 :VSATDFEKVDLTQFKWIHIEGRNASE 1liiA 148 :FRIPENWTTFASGALIFYATAYTLTA T0375 144 :QVKMLQRIDAHN 1liiA 176 :KNALEVAGYAHG T0375 156 :TRQPPEQKIRVSVEVEKPREELFQLFGYGDVVFVSKDVAKHLGFQ 1liiA 189 :PNAIFTLNLSAPFCVELYKDAMQSLLLHTNILFGNEEEFAHLAKV T0375 215 :KGAVLVCAWAEEGADALG 1liiA 271 :ATKLVVMTRGHNPVIAAE T0375 233 :PDGK 1liiA 291 :ADGT T0375 237 :LLHSDAFPPPR 1liiA 296 :VVHEVGVPVVA T0375 248 :VVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCGLQGFD 1liiA 310 :IVDTNGAGDAFVGGFLYGLSQGKTVKQCIMCGNACAQDVIQHVGFS Number of specific fragments extracted= 13 number of extra gaps= 0 total=1136 Number of alignments=72 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1rq2A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1rq2A expands to /projects/compbio/data/pdb/1rq2.pdb.gz 1rq2A:Skipped atom 289, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 291, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 293, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 295, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 297, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 299, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 301, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 303, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 637, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 639, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 733, because occupancy 0.330 <= existing 0.330 in 1rq2A Skipped atom 734, because occupancy 0.330 <= existing 0.330 in 1rq2A Skipped atom 906, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 908, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 910, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 912, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 914, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 916, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 1237, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 1503, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 1505, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 1527, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 1538, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 1540, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 1542, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 1603, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 1770, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 1772, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 1774, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 1776, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 1778, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 1780, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 1782, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 1784, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 1844, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 1846, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 1848, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 2041, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 2043, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 2045, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 2135, because occupancy 0.500 <= existing 0.500 in 1rq2A Skipped atom 2137, because occupancy 0.500 <= existing 0.500 in 1rq2A # T0375 read from 1rq2A/merged-good-all-a2m # 1rq2A read from 1rq2A/merged-good-all-a2m # adding 1rq2A to template set # found chain 1rq2A in template set Warning: unaligning (T0375)S105 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1rq2A)G69 Warning: unaligning (T0375)D117 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1rq2A)G69 T0375 3 :QILCVG 1rq2A 10 :VIKVVG T0375 38 :GGNASNSCTILSLLGAP 1rq2A 17 :GGGGVNAVNRMIEQGLK T0375 55 :CAFMGSMAPGHVADF 1rq2A 35 :VEFIAINTDAQALLM T0375 79 :VDLRYTVFQTT 1rq2A 50 :SDADVKLDVGR T0375 103 :SG 1rq2A 61 :DS T0375 118 :VSATDFE 1rq2A 70 :ADPEVGR T0375 125 :KVDLTQFKWIHIEGRNASEQ 1rq2A 87 :EELLRGADMVFVTAGEGGGT T0375 145 :VKMLQRIDAHNTRQPPEQKIRVSVEV 1rq2A 112 :PVVASIARKLGALTVGVVTRPFSFEG T0375 175 :EELFQL 1rq2A 138 :KRRSNQ T0375 202 :AEEALRGLYGR 1rq2A 144 :AENGIAALRES T0375 216 :GAVLVCA 1rq2A 155 :CDTLIVI T0375 234 :D 1rq2A 168 :Q T0375 235 :GK 1rq2A 170 :GD T0375 268 :QGRSVQEALRFGCQVAGKKCG 1rq2A 172 :AAVSLMDAFRSADEVLLNGVQ Number of specific fragments extracted= 14 number of extra gaps= 0 total=1150 Number of alignments=73 # 1rq2A read from 1rq2A/merged-good-all-a2m # found chain 1rq2A in template set Warning: unaligning (T0375)S105 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1rq2A)G69 Warning: unaligning (T0375)D117 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1rq2A)G69 T0375 3 :QILCVG 1rq2A 10 :VIKVVG T0375 38 :GGNASNSCTILSLLGAP 1rq2A 17 :GGGGVNAVNRMIEQGLK T0375 55 :CAFMGSMAPGHVADF 1rq2A 35 :VEFIAINTDAQALLM T0375 79 :VDLRYTVFQTT 1rq2A 50 :SDADVKLDVGR T0375 103 :SG 1rq2A 61 :DS T0375 118 :VSATDFEKV 1rq2A 70 :ADPEVGRKA T0375 128 :LTQFKWIHIE 1rq2A 90 :LRGADMVFVT T0375 138 :GRN 1rq2A 103 :GGG T0375 143 :EQVKMLQRIDAHNTRQPPEQKIRVSVEVEKPREELFQLF 1rq2A 110 :GAPVVASIARKLGALTVGVVTRPFSFEGKRRSNQAENGI T0375 182 :GYGDVVFV 1rq2A 153 :ESCDTLIV T0375 190 :S 1rq2A 162 :P T0375 194 :AKHL 1rq2A 163 :NDRL T0375 198 :GFQ 1rq2A 168 :QMG T0375 201 :SAEEALRGLYGRVR 1rq2A 175 :SLMDAFRSADEVLL T0375 256 :DTFNASVIFSL 1rq2A 189 :NGVQGITDLIT T0375 267 :SQGRS 1rq2A 215 :MSGAG T0375 272 :VQEALRFGC 1rq2A 234 :SLKAAEIAI Number of specific fragments extracted= 17 number of extra gaps= 0 total=1167 Number of alignments=74 # 1rq2A read from 1rq2A/merged-good-all-a2m # found chain 1rq2A in template set Warning: unaligning (T0375)S2 because of BadResidue code BAD_PEPTIDE at template residue (1rq2A)A9 Warning: unaligning (T0375)G104 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1rq2A)G69 Warning: unaligning (T0375)Y110 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1rq2A)G69 T0375 3 :QILCVG 1rq2A 10 :VIKVVG T0375 37 :RGGNASNSCTILSLLGAP 1rq2A 16 :IGGGGVNAVNRMIEQGLK T0375 55 :CAFMGSMAPGHVADF 1rq2A 35 :VEFIAINTDAQALLM T0375 79 :VDLRYTVFQTT 1rq2A 50 :SDADVKLDVGR T0375 102 :AS 1rq2A 61 :DS T0375 111 :YDR 1rq2A 70 :ADP T0375 116 :PDVSAT 1rq2A 73 :EVGRKA T0375 122 :DFEKVDLTQFKWIHIEGRNASE 1rq2A 84 :DEIEELLRGADMVFVTAGEGGG T0375 144 :QVKMLQRIDAHNTRQPPEQKIRVSVEVE 1rq2A 109 :GGAPVVASIARKLGALTVGVVTRPFSFE T0375 172 :KPREELFQLF 1rq2A 142 :NQAENGIAAL T0375 182 :GYGDVVFV 1rq2A 153 :ESCDTLIV T0375 194 :AKHLGFQ 1rq2A 163 :NDRLLQM T0375 202 :AEEA 1rq2A 207 :DFAD T0375 209 :LYGRVRKGAVLVC 1rq2A 211 :VKGIMSGAGTALM T0375 227 :GADALGPDG 1rq2A 224 :GIGSARGEG Number of specific fragments extracted= 15 number of extra gaps= 1 total=1182 Number of alignments=75 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1f0kA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1f0kA expands to /projects/compbio/data/pdb/1f0k.pdb.gz 1f0kA:# T0375 read from 1f0kA/merged-good-all-a2m # 1f0kA read from 1f0kA/merged-good-all-a2m # adding 1f0kA to template set # found chain 1f0kA in template set Warning: unaligning (T0375)S2 because first residue in template chain is (1f0kA)K7 T0375 3 :QILCVG 1f0kA 8 :RLMVMA T0375 36 :QRGGN 1f0kA 15 :GTGGH T0375 41 :ASNSCTILSLLGAPCAFMGS 1f0kA 23 :GLAVAHHLMAQGWQVRWLGT T0375 63 :PGHV 1f0kA 43 :ADRM T0375 70 :VLDDLRRYSVDLRYTVFQT 1f0kA 47 :EADLVPKHGIEIDFIRISG T0375 102 :ASGSR 1f0kA 66 :LRGKG T0375 119 :SATDFEKVD 1f0kA 77 :APLRIFNAW T0375 128 :LT 1f0kA 92 :MK T0375 130 :QFKWIHIEGRNASEQ 1f0kA 96 :KPDVVLGMGGYVSGP T0375 149 :QRIDAHNTRQPPEQ 1f0kA 113 :LAAWSLGIPVVLHE T0375 163 :K 1f0kA 128 :N T0375 171 :EKPREELFQLFGYGDVVFVS 1f0kA 129 :GIAGLTNKWLAKIATKVMQA T0375 197 :LGF 1f0kA 149 :FPG T0375 200 :QSAEEAL 1f0kA 171 :PLPQQRL T0375 211 :GRVRKGAVLVCAWAEEGA 1f0kA 178 :AGREGPVRVLVVGGSQGA T0375 233 :P 1f0kA 196 :R T0375 238 :LHSDAFP 1f0kA 305 :IEQPQLS T0375 263 :IFSLSQGRSVQEALRFGCQV 1f0kA 315 :VANTLAGWSRETLLTMAERA Number of specific fragments extracted= 18 number of extra gaps= 0 total=1200 Number of alignments=76 # 1f0kA read from 1f0kA/merged-good-all-a2m # found chain 1f0kA in template set Warning: unaligning (T0375)S2 because first residue in template chain is (1f0kA)K7 T0375 3 :QILCVGL 1f0kA 8 :RLMVMAG T0375 36 :QRGGN 1f0kA 15 :GTGGH T0375 41 :ASNSCTILSLLGAPCAFMGSMAP 1f0kA 23 :GLAVAHHLMAQGWQVRWLGTADR T0375 69 :FVLDDLRRYSVDLRYTVFQTTGSVP 1f0kA 46 :MEADLVPKHGIEIDFIRISGLRGKG T0375 119 :SATDFEKVD 1f0kA 77 :APLRIFNAW T0375 128 :LT 1f0kA 92 :MK T0375 130 :QFKWIHIEGRNA 1f0kA 96 :KPDVVLGMGGYV T0375 144 :QVKMLQRIDAHNTRQPPEQKI 1f0kA 108 :SGPGGLAAWSLGIPVVLHEQN T0375 171 :EKPREELFQLFGYGDVVFVS 1f0kA 129 :GIAGLTNKWLAKIATKVMQA T0375 197 :L 1f0kA 149 :F T0375 198 :G 1f0kA 151 :G T0375 199 :FQ 1f0kA 153 :FP T0375 201 :S 1f0kA 164 :R T0375 203 :EEALR 1f0kA 165 :TDVLA T0375 209 :LYGRVRK 1f0kA 173 :PQQRLAG T0375 216 :GA 1f0kA 182 :GP T0375 218 :VLVCAWAEEGA 1f0kA 185 :RVLVVGGSQGA T0375 248 :VVDTLGA 1f0kA 258 :VVCRSGA T0375 257 :TFNASVIFSL 1f0kA 265 :LTVSEIAAAG T0375 267 :SQGRSVQEALRFGCQVAG 1f0kA 319 :LAGWSRETLLTMAERARA Number of specific fragments extracted= 20 number of extra gaps= 0 total=1220 Number of alignments=77 # 1f0kA read from 1f0kA/merged-good-all-a2m # found chain 1f0kA in template set Warning: unaligning (T0375)S2 because first residue in template chain is (1f0kA)K7 T0375 3 :QILCVGL 1f0kA 8 :RLMVMAG T0375 36 :QRGGNASNSCTILSLL 1f0kA 15 :GTGGHVFPGLAVAHHL T0375 52 :GAPCAFMGSMAPG 1f0kA 34 :GWQVRWLGTADRM T0375 70 :VLDDLRRYSVDLRYTVFQTTGSVP 1f0kA 47 :EADLVPKHGIEIDFIRISGLRGKG T0375 114 :SLPDVSATDF 1f0kA 76 :AAPLRIFNAW T0375 124 :EKVDLTQFKWIHIEGRNA 1f0kA 90 :AIMKAYKPDVVLGMGGYV T0375 146 :KMLQRIDAHNTRQPPEQKIRVS 1f0kA 108 :SGPGGLAAWSLGIPVVLHEQNG T0375 172 :KPREELFQLFGYGDVVFVS 1f0kA 130 :IAGLTNKWLAKIATKVMQA T0375 197 :LGFQ 1f0kA 149 :FPGA T0375 202 :A 1f0kA 172 :L T0375 209 :LYGRVRKGA 1f0kA 173 :PQQRLAGRE T0375 218 :VLVCAWAEEGA 1f0kA 185 :RVLVVGGSQGA Number of specific fragments extracted= 12 number of extra gaps= 0 total=1232 Number of alignments=78 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2fv7A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2fv7A expands to /projects/compbio/data/pdb/2fv7.pdb.gz 2fv7A:Skipped atom 67, because occupancy 0.350 <= existing 0.650 in 2fv7A Skipped atom 69, because occupancy 0.350 <= existing 0.650 in 2fv7A Skipped atom 71, because occupancy 0.350 <= existing 0.650 in 2fv7A Skipped atom 73, because occupancy 0.350 <= existing 0.650 in 2fv7A Skipped atom 1002, because occupancy 0.350 <= existing 0.650 in 2fv7A Skipped atom 1004, because occupancy 0.350 <= existing 0.650 in 2fv7A # T0375 read from 2fv7A/merged-good-all-a2m # 2fv7A read from 2fv7A/merged-good-all-a2m # adding 2fv7A to template set # found chain 2fv7A in template set T0375 3 :QILCVGLVVLDVISLVDKYPKEDSEIRCLSQRWQRGGNASNSCTILSLLGAPCAFMGSMAPGHVADFVLDDLRRYSVDLRYTVFQTTGSVPIATVIINE 2fv7A 17 :AVVVVGSCMTDLVSLTSRLPKTGETIHGHKFFIGFGGKGANQCVQAARLGAMTSMVCKVGKDSFGNDYIENLKQNDISTEFTYQTKDAATGTASIIVNN T0375 103 :SGSRTILYYDRSLPDVSATDFEKVD 2fv7A 116 :EGQNIIVIVAGANLLLNTEDLRAAA T0375 128 :LTQFKWIHIEGRNASEQ 2fv7A 143 :ISRAKVMVCQLEITPAT T0375 145 :VKMLQRIDAHNTRQPPEQ 2fv7A 161 :LEALTMARRSGVKTLFNP T0375 166 :VSVEVE 2fv7A 179 :APAIAD T0375 177 :LF 2fv7A 185 :LD T0375 179 :QLFGYGDVVFVSKDVAKHL 2fv7A 188 :QFYTLSDVFCCNESEAEIL T0375 198 :GF 2fv7A 208 :GL T0375 200 :QSAEEALRGLYGRV 2fv7A 215 :ADAGEAALVLLKRG T0375 216 :GAVLVCAWAEEGADALGPDG 2fv7A 229 :CQVVIITLGAEGCVVLSQTE T0375 236 :KLLHSDAF 2fv7A 250 :EPKHIPTE T0375 245 :PPRVVDTLGAGDTFNASVIFSLS 2fv7A 258 :KVKAVDTTGAGDSFVGALAFYLA T0375 268 :QGRSVQEALRFGCQVAGKKCGLQGFDG 2fv7A 283 :PNLSLEDMLNRSNFIAAVSVQAAGTQS Number of specific fragments extracted= 13 number of extra gaps= 0 total=1245 Number of alignments=79 # 2fv7A read from 2fv7A/merged-good-all-a2m # found chain 2fv7A in template set T0375 2 :SQILCVGLVVLDVISLVDKYPKEDSEIRCLSQRWQRGGNASNSCTILSLLGAPCAFMGSMAPGHVADFVLDDLRRYSVDLRYTVFQTTGSVPIATVII 2fv7A 16 :AAVVVVGSCMTDLVSLTSRLPKTGETIHGHKFFIGFGGKGANQCVQAARLGAMTSMVCKVGKDSFGNDYIENLKQNDISTEFTYQTKDAATGTASIIV T0375 101 :EASGSRTILYYDRSLPDVSATDFEKVD 2fv7A 114 :NNEGQNIIVIVAGANLLLNTEDLRAAA T0375 128 :LTQFKWIHIEGRNA 2fv7A 143 :ISRAKVMVCQLEIT T0375 142 :SEQVKMLQRIDAHNTRQPPEQ 2fv7A 158 :ATSLEALTMARRSGVKTLFNP T0375 169 :E 2fv7A 182 :I T0375 171 :EKPRE 2fv7A 183 :ADLDP T0375 179 :QLFGYGDVVFVSKDVAKHL 2fv7A 188 :QFYTLSDVFCCNESEAEIL T0375 198 :GFQ 2fv7A 208 :GLT T0375 201 :SAEEALRGLYGRVRKGA 2fv7A 213 :SAADAGEAALVLLKRGC T0375 218 :VLVCAWAEEGADALGPDG 2fv7A 231 :VVIITLGAEGCVVLSQTE T0375 236 :KLLHSDAF 2fv7A 250 :EPKHIPTE T0375 245 :PPRVVDTLGAGDTFNASVIFSLS 2fv7A 258 :KVKAVDTTGAGDSFVGALAFYLA T0375 268 :QGRSVQEALRFGCQVAGKKCGLQGFDGIV 2fv7A 283 :PNLSLEDMLNRSNFIAAVSVQAAGTQSSY Number of specific fragments extracted= 13 number of extra gaps= 0 total=1258 Number of alignments=80 # 2fv7A read from 2fv7A/merged-good-all-a2m # found chain 2fv7A in template set T0375 2 :SQILCVGLVVLDVISLVDKYPKEDSEIRCLSQRWQRGGNASNSCTILSLLGAPCAFMGSMAPGHVADFVLDDLRRYSVDLRYTVFQTTGSVPIATVIINEASGSRTILYYDRSL 2fv7A 16 :AAVVVVGSCMTDLVSLTSRLPKTGETIHGHKFFIGFGGKGANQCVQAARLGAMTSMVCKVGKDSFGNDYIENLKQNDISTEFTYQTKDAATGTASIIVNNEGQNIIVIVAGANL T0375 117 :DVSATDFEKV 2fv7A 130 :LLNTEDLRAA T0375 127 :DLTQFK 2fv7A 142 :VISRAK T0375 134 :IHIEGRNASEQVKMLQRIDAHNTRQPPEQKIRVSVEV 2fv7A 148 :VMVCQLEITPATSLEALTMARRSGVKTLFNPAPAIAD T0375 179 :QLFGYGDVVFVSKDVAKHLGFQ 2fv7A 188 :QFYTLSDVFCCNESEAEILTGL T0375 202 :AEEALRGLYGRVRKGAVLVCAWAEEGADALGPDGKLLHSDAFPPPRVVDTLGAGDTFNASVIFSLSQ 2fv7A 215 :ADAGEAALVLLKRGCQVVIITLGAEGCVVLSQTEPEPKHIPTEKVKAVDTTGAGDSFVGALAFYLAY T0375 269 :GRSVQEALRFGCQVAGKKCGLQGF 2fv7A 284 :NLSLEDMLNRSNFIAAVSVQAAGT Number of specific fragments extracted= 7 number of extra gaps= 0 total=1265 Number of alignments=81 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2dcnA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2dcnA expands to /projects/compbio/data/pdb/2dcn.pdb.gz 2dcnA:Skipped atom 942, because occupancy 0.500 <= existing 0.500 in 2dcnA Skipped atom 944, because occupancy 0.500 <= existing 0.500 in 2dcnA Skipped atom 946, because occupancy 0.500 <= existing 0.500 in 2dcnA Skipped atom 948, because occupancy 0.500 <= existing 0.500 in 2dcnA Skipped atom 950, because occupancy 0.500 <= existing 0.500 in 2dcnA Skipped atom 952, because occupancy 0.500 <= existing 0.500 in 2dcnA Skipped atom 954, because occupancy 0.500 <= existing 0.500 in 2dcnA Skipped atom 956, because occupancy 0.500 <= existing 0.500 in 2dcnA Skipped atom 958, because occupancy 0.500 <= existing 0.500 in 2dcnA Skipped atom 1126, because occupancy 0.500 <= existing 0.500 in 2dcnA Skipped atom 1128, because occupancy 0.500 <= existing 0.500 in 2dcnA Skipped atom 1130, because occupancy 0.500 <= existing 0.500 in 2dcnA Skipped atom 1132, because occupancy 0.500 <= existing 0.500 in 2dcnA Skipped atom 1134, because occupancy 0.500 <= existing 0.500 in 2dcnA Skipped atom 1136, because occupancy 0.500 <= existing 0.500 in 2dcnA Skipped atom 1138, because occupancy 0.500 <= existing 0.500 in 2dcnA Skipped atom 1140, because occupancy 0.500 <= existing 0.500 in 2dcnA Skipped atom 1142, because occupancy 0.500 <= existing 0.500 in 2dcnA Skipped atom 1448, because occupancy 0.500 <= existing 0.500 in 2dcnA Skipped atom 1450, because occupancy 0.500 <= existing 0.500 in 2dcnA Skipped atom 1452, because occupancy 0.500 <= existing 0.500 in 2dcnA Skipped atom 1454, because occupancy 0.500 <= existing 0.500 in 2dcnA Skipped atom 1456, because occupancy 0.500 <= existing 0.500 in 2dcnA Skipped atom 1458, because occupancy 0.500 <= existing 0.500 in 2dcnA Skipped atom 1460, because occupancy 0.500 <= existing 0.500 in 2dcnA Skipped atom 1462, because occupancy 0.500 <= existing 0.500 in 2dcnA Skipped atom 1464, because occupancy 0.500 <= existing 0.500 in 2dcnA # T0375 read from 2dcnA/merged-good-all-a2m # 2dcnA read from 2dcnA/merged-good-all-a2m # adding 2dcnA to template set # found chain 2dcnA in template set Warning: unaligning (T0375)S2 because first residue in template chain is (2dcnA)A2 Warning: unaligning (T0375)L289 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2dcnA)R290 Warning: unaligning (T0375)Q290 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2dcnA)R290 T0375 3 :QILCVGLVVLDVISL 2dcnA 3 :KLITLGEILIEFNAL T0375 23 :KEDSEIRCLSQRWQRGGNASNSCTILSLLGAPCAFMGSMAPGHVADFVLDDLRRYSVDLRYTVFQTTGSVPIATVIINEASG 2dcnA 18 :SPGPLRHVSYFEKHVAGSEANYCVAFIKQGNECGIIAKVGDDEFGYNAIEWLRGQGVDVSHMKIDPSAPTGIFFIQRHYPVP T0375 105 :SRTILYYDR 2dcnA 102 :SESIYYRKG T0375 114 :SLPDVSATDFEKVDLTQFKWIHIE 2dcnA 112 :AGSKLSPEDVDEEYVKSADLVHSS T0375 140 :NASEQVKMLQRIDAHNTRQPPEQKIRVSVEV 2dcnA 141 :ISSTAKEAVYKAFEIASNRSFDTNIRLKLWS T0375 171 :EKPREELFQLFGY 2dcnA 173 :EEAKREILKLLSK T0375 184 :GDVVFVSKDVAKHL 2dcnA 188 :LKFLITDTDDSKII T0375 198 :GFQSAEEALRGLYGR 2dcnA 203 :GESDPDKAAKAFSDY T0375 216 :GAVLVCAWAEEGADALG 2dcnA 218 :AEIIVMKLGPKGAIVYY T0375 234 :DGKLLHSDAF 2dcnA 235 :DGKKYYSSGY T0375 245 :PPRVVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCG 2dcnA 245 :QVPVEDVTGAGDALGGTFLSLYYKGFEMEKALDYAIVASTLNVM T0375 291 :GFD 2dcnA 291 :GDQ Number of specific fragments extracted= 12 number of extra gaps= 1 total=1277 Number of alignments=82 # 2dcnA read from 2dcnA/merged-good-all-a2m # found chain 2dcnA in template set Warning: unaligning (T0375)S2 because first residue in template chain is (2dcnA)A2 Warning: unaligning (T0375)L289 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2dcnA)R290 Warning: unaligning (T0375)Q290 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2dcnA)R290 T0375 3 :QILCVGLVVLDVISLVDK 2dcnA 3 :KLITLGEILIEFNALSPG T0375 22 :PKED 2dcnA 21 :PLRH T0375 30 :CLSQRWQRGGNASNSCTILSLLGAPCAFMGSMAPGHVADFVLDDLRRYSVDLRYTVFQTTGSVPIATVIINEASG 2dcnA 25 :VSYFEKHVAGSEANYCVAFIKQGNECGIIAKVGDDEFGYNAIEWLRGQGVDVSHMKIDPSAPTGIFFIQRHYPVP T0375 105 :SRTILYYDR 2dcnA 102 :SESIYYRKG T0375 114 :SLPDVSATDFEKVDLTQFKWIHIE 2dcnA 112 :AGSKLSPEDVDEEYVKSADLVHSS T0375 140 :NASEQVKMLQRIDAHNTRQPPEQKIRVSVEV 2dcnA 141 :ISSTAKEAVYKAFEIASNRSFDTNIRLKLWS T0375 171 :EKPREELFQLFGY 2dcnA 173 :EEAKREILKLLSK T0375 184 :GDVVFVSKDVAKHL 2dcnA 188 :LKFLITDTDDSKII T0375 198 :GFQSAEEALRGLYG 2dcnA 203 :GESDPDKAAKAFSD T0375 216 :GA 2dcnA 217 :YA T0375 218 :VLVCAWAEEGADALGPD 2dcnA 220 :IIVMKLGPKGAIVYYDG T0375 236 :KLLHSDAF 2dcnA 237 :KKYYSSGY T0375 245 :PPRVVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCG 2dcnA 245 :QVPVEDVTGAGDALGGTFLSLYYKGFEMEKALDYAIVASTLNVM T0375 291 :GFDGIV 2dcnA 291 :GDQENL Number of specific fragments extracted= 14 number of extra gaps= 1 total=1291 Number of alignments=83 # 2dcnA read from 2dcnA/merged-good-all-a2m # found chain 2dcnA in template set Warning: unaligning (T0375)S2 because first residue in template chain is (2dcnA)A2 Warning: unaligning (T0375)L289 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2dcnA)R290 Warning: unaligning (T0375)Q290 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2dcnA)R290 T0375 3 :QILCVGLVVLDVISLVDK 2dcnA 3 :KLITLGEILIEFNALSPG T0375 22 :PKED 2dcnA 21 :PLRH T0375 30 :CLSQRWQRGGNASNSCTILSLLGAPCAFMGSMAPGHVADFVLDDLRRYSVDLRYTVFQTTGSVPIATVIIN 2dcnA 25 :VSYFEKHVAGSEANYCVAFIKQGNECGIIAKVGDDEFGYNAIEWLRGQGVDVSHMKIDPSAPTGIFFIQRH T0375 101 :EASGSRTILYYDRSLPDVSATDFEKVDLTQFKWIHIEGRNASE 2dcnA 99 :PLKSESIYYRKGSAGSKLSPEDVDEEYVKSADLVHSSGITLAI T0375 144 :QVKMLQRIDAHNTRQPPEQKIRVSVEVE 2dcnA 143 :STAKEAVYKAFEIASNRSFDTNIRLKLW T0375 172 :KPREELFQLFG 2dcnA 174 :EAKREILKLLS T0375 183 :YGDVVFVSKDVAKHLGFQSAEEALR 2dcnA 187 :HLKFLITDTDDSKIILGESDPDKAA T0375 210 :YGRVRKGAVLVCAWAEEGADALGPDG 2dcnA 212 :KAFSDYAEIIVMKLGPKGAIVYYDGK T0375 238 :LHSDAFPPPRVVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCG 2dcnA 238 :KYYSSGYQVPVEDVTGAGDALGGTFLSLYYKGFEMEKALDYAIVASTLNVM T0375 291 :GFD 2dcnA 291 :GDQ Number of specific fragments extracted= 10 number of extra gaps= 1 total=1301 Number of alignments=84 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2awdA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2awdA expands to /projects/compbio/data/pdb/2awd.pdb.gz 2awdA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # T0375 read from 2awdA/merged-good-all-a2m # 2awdA read from 2awdA/merged-good-all-a2m # adding 2awdA to template set # found chain 2awdA in template set Warning: unaligning (T0375)S2 because first residue in template chain is (2awdA)S0 Warning: unaligning (T0375)V11 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2awdA)I11 Warning: unaligning (T0375)L12 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2awdA)I11 Warning: unaligning (T0375)E137 because of BadResidue code NON_PLANAR_PEPTIDE in next template residue (2awdA)G135 Warning: unaligning (T0375)G138 because of BadResidue code NON_PLANAR_PEPTIDE at template residue (2awdA)G135 Warning: unaligning (T0375)Q200 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2awdA)E199 T0375 3 :QILCVG 2awdA 1 :LIVTVT T0375 9 :LV 2awdA 8 :NP T0375 13 :DVISLVDKY 2awdA 12 :DISYLLDHL T0375 23 :KEDSEIRCLSQRWQRGGNASNSCTILSLLGAPCAFMGSMA 2awdA 21 :KLDTVNRTSQVTKTPGGKGLNVTRVIHDLGGDVIATGVLG T0375 64 :GHVADFVLDDLRRYSVDLRYTVF 2awdA 61 :GFHGAFIANELKKANIPQAFTSI T0375 89 :TGSVPIATVIIN 2awdA 84 :KEETRDSIAILH T0375 103 :SGSRTILYYDR 2awdA 96 :EGNQTEILEAG T0375 116 :PDVSATDFEKVD 2awdA 107 :PTVSPEEISNFL T0375 128 :LTQFKWIHI 2awdA 125 :IKQAEIVTI T0375 139 :RNASEQ 2awdA 136 :SLAKGL T0375 145 :VKMLQRIDAHNTRQPPEQK 2awdA 147 :QELVQKAHAQEVKVLLDTS T0375 171 :E 2awdA 166 :G T0375 175 :EELFQLFGY 2awdA 167 :DSLRQVLQG T0375 184 :GDVVFVSKDVAKHL 2awdA 179 :PYLIKPNLEELEGL T0375 198 :GF 2awdA 194 :GQ T0375 201 :SAEEALRGLYG 2awdA 200 :NPLAAVQTALT T0375 212 :RVRKGAVLVCAWAEEGADALG 2awdA 213 :MFAGIEWIVISLGKDGAIAKH T0375 234 :DGKLLHSDA 2awdA 234 :HDQFYRVKI T0375 244 :PPPRVVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCGLQ 2awdA 243 :PTIQAKNPVGSGDATIAGLAYGLAKDAPAAELLKWGMAAGMANAQER Number of specific fragments extracted= 19 number of extra gaps= 3 total=1320 Number of alignments=85 # 2awdA read from 2awdA/merged-good-all-a2m # found chain 2awdA in template set Warning: unaligning (T0375)S2 because first residue in template chain is (2awdA)S0 Warning: unaligning (T0375)V11 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2awdA)I11 Warning: unaligning (T0375)L12 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2awdA)I11 Warning: unaligning (T0375)E137 because of BadResidue code NON_PLANAR_PEPTIDE in next template residue (2awdA)G135 Warning: unaligning (T0375)G138 because of BadResidue code NON_PLANAR_PEPTIDE at template residue (2awdA)G135 T0375 3 :QILCVG 2awdA 1 :LIVTVT T0375 9 :LV 2awdA 8 :NP T0375 13 :DVISLVDK 2awdA 12 :DISYLLDH T0375 22 :PKEDSEIRCLSQRWQRGGNASNSCTILSLLGAPCAFMGSMAP 2awdA 20 :LKLDTVNRTSQVTKTPGGKGLNVTRVIHDLGGDVIATGVLGG T0375 65 :HVADFVLDDLRRYSVDLRYTVF 2awdA 62 :FHGAFIANELKKANIPQAFTSI T0375 89 :TGSVPIATVIIN 2awdA 84 :KEETRDSIAILH T0375 103 :SGSRTILYYDR 2awdA 96 :EGNQTEILEAG T0375 116 :PDVSATDFEKVD 2awdA 107 :PTVSPEEISNFL T0375 128 :LTQFKWIHI 2awdA 125 :IKQAEIVTI T0375 139 :RNA 2awdA 136 :SLA T0375 142 :S 2awdA 140 :G T0375 143 :EQVKMLQRIDAHNTRQPPEQKI 2awdA 145 :FYQELVQKAHAQEVKVLLDTSG T0375 175 :EELFQLFGY 2awdA 167 :DSLRQVLQG T0375 184 :GDVVFVSKDVAKHL 2awdA 179 :PYLIKPNLEELEGL T0375 198 :GFQ 2awdA 194 :GQD T0375 201 :SAEEALRGLY 2awdA 201 :PLAAVQTALT T0375 215 :KGA 2awdA 215 :AGI T0375 218 :VLVCAWAEEGADALGPD 2awdA 219 :WIVISLGKDGAIAKHHD T0375 236 :KLLHSDAF 2awdA 236 :QFYRVKIP T0375 245 :PPRVVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCGLQ 2awdA 244 :TIQAKNPVGSGDATIAGLAYGLAKDAPAAELLKWGMAAGMANAQER Number of specific fragments extracted= 20 number of extra gaps= 2 total=1340 Number of alignments=86 # 2awdA read from 2awdA/merged-good-all-a2m # found chain 2awdA in template set Warning: unaligning (T0375)S2 because first residue in template chain is (2awdA)S0 Warning: unaligning (T0375)V11 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2awdA)I11 Warning: unaligning (T0375)L12 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2awdA)I11 Warning: unaligning (T0375)E137 because of BadResidue code NON_PLANAR_PEPTIDE in next template residue (2awdA)G135 Warning: unaligning (T0375)G138 because of BadResidue code NON_PLANAR_PEPTIDE at template residue (2awdA)G135 T0375 3 :QILCVG 2awdA 1 :LIVTVT T0375 9 :LV 2awdA 8 :NP T0375 13 :DVISLVDK 2awdA 12 :DISYLLDH T0375 22 :PKEDSEIRCLSQRWQRGGNASNSCTILSLLGAPCAFMGSMA 2awdA 20 :LKLDTVNRTSQVTKTPGGKGLNVTRVIHDLGGDVIATGVLG T0375 64 :GHVADFVLDDLRRYSVDLRYTVFQTTGSV 2awdA 61 :GFHGAFIANELKKANIPQAFTSIKEETRD T0375 95 :ATVIINEASGSRTILYYDRSLPDVSATDFEK 2awdA 90 :SIAILHEGNQTEILEAGPTVSPEEISNFLEN T0375 127 :DLTQFKWIHI 2awdA 124 :LIKQAEIVTI T0375 139 :RNASE 2awdA 136 :SLAKG T0375 144 :QVKMLQRIDAHNTRQPPEQKIR 2awdA 144 :DFYQELVQKAHAQEVKVLLDTS T0375 174 :REELFQLFG 2awdA 166 :GDSLRQVLQ T0375 183 :YGDVVFVSKDVAKHLGFQ 2awdA 178 :KPYLIKPNLEELEGLLGQ T0375 201 :SAEEALRGLY 2awdA 200 :NPLAAVQTAL T0375 212 :RVRKGAVLVCAWAEEGADALGPDG 2awdA 213 :MFAGIEWIVISLGKDGAIAKHHDQ T0375 238 :LHSDAFPPPRVVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCGL 2awdA 237 :FYRVKIPTIQAKNPVGSGDATIAGLAYGLAKDAPAAELLKWGMAAGMANAQE Number of specific fragments extracted= 14 number of extra gaps= 2 total=1354 Number of alignments=87 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1bx4A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0375 read from 1bx4A/merged-good-all-a2m # 1bx4A read from 1bx4A/merged-good-all-a2m # found chain 1bx4A in training set T0375 4 :ILCVGLVVLDVISLVD 1bx4A 9 :LFGMGNPLLDISAVVD T0375 20 :KYPKEDS 1bx4A 32 :SLKPNDQ T0375 32 :SQRWQRGGNASNSCTILSLL 1bx4A 57 :KVEYHAGGSTQNSIKVAQWM T0375 52 :GAPCAFMGSMAPGHVADFVLDDLRRYSVDLRYTVF 1bx4A 81 :HKAATFFGCIGIDKFGEILKRKAAEAHVDAHYYEQ T0375 88 :TTGSVPIATVIIN 1bx4A 116 :NEQPTGTCAACIT T0375 103 :SGSRTILYYDRSLPDVSATD 1bx4A 129 :GDNRSLIANLAAANCYKKEK T0375 123 :FE 1bx4A 150 :LD T0375 125 :KVDLTQFKWIHIEG 1bx4A 156 :WMLVEKARVCYIAG T0375 139 :RNASEQVKMLQRIDAHNTRQPPEQK 1bx4A 174 :VSPESVLKVAHHASENNRIFTLNLS T0375 166 :VSVEVEKPREELFQLFGYGDVVFVSKDVAKHL 1bx4A 199 :APFISQFYKESLMKVMPYVDILFGNETEAATF T0375 198 :GF 1bx4A 235 :GF T0375 200 :QSAEEALRGLYGRV 1bx4A 239 :KDIKEIAKKTQALP T0375 214 :RKGAVLVCAWAEEGADALG 1bx4A 257 :KRQRIVIFTQGRDDTIMAT T0375 234 :DGKLLHSDAFP 1bx4A 276 :ESEVTAFAVLD T0375 245 :PPRVVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCGLQGFD 1bx4A 289 :QKEIIDTNGAGDAFVGGFLSQLVSDKPLTECIRAGHYAASIIIRRTGCT T0375 294 :GI 1bx4A 339 :PE Number of specific fragments extracted= 16 number of extra gaps= 0 total=1370 Number of alignments=88 # 1bx4A read from 1bx4A/merged-good-all-a2m # found chain 1bx4A in training set T0375 4 :ILCVGLVVLDVISLVD 1bx4A 9 :LFGMGNPLLDISAVVD T0375 20 :K 1bx4A 32 :S T0375 22 :PKEDSE 1bx4A 33 :LKPNDQ T0375 32 :SQRWQRGGNASNSCTILSLL 1bx4A 57 :KVEYHAGGSTQNSIKVAQWM T0375 52 :G 1bx4A 82 :K T0375 54 :PCAFMGSMAPGHVADFVLDDLRRYSVDLRYTVF 1bx4A 83 :AATFFGCIGIDKFGEILKRKAAEAHVDAHYYEQ T0375 88 :TTGSVPIATVII 1bx4A 116 :NEQPTGTCAACI T0375 101 :EAS 1bx4A 128 :TGD T0375 105 :SRTILYYDRSLPDVSATD 1bx4A 131 :NRSLIANLAAANCYKKEK T0375 123 :FE 1bx4A 150 :LD T0375 125 :KV 1bx4A 154 :KN T0375 127 :DLTQFKWIHIEGRN 1bx4A 158 :LVEKARVCYIAGFF T0375 141 :ASEQVKMLQRIDAHNTRQPPEQKIRVSV 1bx4A 176 :PESVLKVAHHASENNRIFTLNLSAPFIS T0375 171 :EKPREELFQLFGYGDVVFVSKDVAKHL 1bx4A 204 :QFYKESLMKVMPYVDILFGNETEAATF T0375 198 :GFQ 1bx4A 235 :GFE T0375 201 :SAEEA 1bx4A 240 :DIKEI T0375 209 :LYGRVR 1bx4A 245 :AKKTQA T0375 215 :KGAVLVCAWAEEGADALGPD 1bx4A 258 :RQRIVIFTQGRDDTIMATES T0375 236 :KLLHSDAFP 1bx4A 278 :EVTAFAVLD T0375 245 :PPRVVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCGLQGFD 1bx4A 289 :QKEIIDTNGAGDAFVGGFLSQLVSDKPLTECIRAGHYAASIIIRRTGCT Number of specific fragments extracted= 20 number of extra gaps= 0 total=1390 Number of alignments=89 # 1bx4A read from 1bx4A/merged-good-all-a2m # found chain 1bx4A in training set T0375 4 :ILCVGLVVLDVISLVDK 1bx4A 9 :LFGMGNPLLDISAVVDK T0375 21 :YPKED 1bx4A 40 :LAEDK T0375 31 :LSQRWQRGGNASNSCTILSLL 1bx4A 56 :FKVEYHAGGSTQNSIKVAQWM T0375 52 :GAPCAFMGSMAPGHVADFVLDDLRRYSVDLRYTVFQTT 1bx4A 81 :HKAATFFGCIGIDKFGEILKRKAAEAHVDAHYYEQNEQ T0375 91 :SVPIATVIINEASGSRTILYYDR 1bx4A 119 :PTGTCAACITGDNRSLIANLAAA T0375 114 :SLPDVSATDFEKVDLTQFKWIHIEGRNASE 1bx4A 145 :KKEKHLDLEKNWMLVEKARVCYIAGFFLTV T0375 144 :QVKMLQRIDAHNTRQPPEQKIRVSVEVEKPREELFQLFGYGDVVFVSKDVAKHLGFQ 1bx4A 177 :ESVLKVAHHASENNRIFTLNLSAPFISQFYKESLMKVMPYVDILFGNETEAATFARE T0375 201 :SAEEALRGLYGRVRKGA 1bx4A 238 :TKDIKEIAKKTQALPKM T0375 218 :VLVCAWAEEGADALGPDG 1bx4A 261 :IVIFTQGRDDTIMATESE T0375 238 :LHSDAFPPPR 1bx4A 279 :VTAFAVLDQD T0375 248 :VVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCGLQGFD 1bx4A 292 :IIDTNGAGDAFVGGFLSQLVSDKPLTECIRAGHYAASIIIRRTGCT Number of specific fragments extracted= 11 number of extra gaps= 0 total=1401 Number of alignments=90 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1vm7A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1vm7A expands to /projects/compbio/data/pdb/1vm7.pdb.gz 1vm7A:# T0375 read from 1vm7A/merged-good-all-a2m # 1vm7A read from 1vm7A/merged-good-all-a2m # adding 1vm7A to template set # found chain 1vm7A in template set Warning: unaligning (T0375)G8 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1vm7A)S10 Warning: unaligning (T0375)L9 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1vm7A)S10 T0375 2 :SQILCV 1vm7A 3 :LVISVV T0375 10 :VVLDVISLVDKYPKEDSEIRCLSQRWQRGGNASNSCTILSLL 1vm7A 11 :SNIDIVLKVDHFTKPGETQKAIEMNVFPGGKGANQAVTVAKI T0375 52 :GAPCAFMGSMAPGHVADFVLDDLRRYSV 1vm7A 54 :EKGCRFVTCIGNDDYSDLLIENYEKLGI T0375 82 :RYTVFQTT 1vm7A 82 :TGYIRVSL T0375 91 :SVPIATVIINE 1vm7A 90 :PTGRAFIEVDK T0375 103 :SGSRTILYYDRSLPDVSATDFEKVDLTQFKWIHIEGRNASEQ 1vm7A 101 :TGQNRIIIFPGANAELKKELIDWNTLSESDILLLQNEIPFET T0375 145 :VKMLQRI 1vm7A 144 :LECAKRF T0375 155 :NTRQPPEQKIRVSVEVE 1vm7A 151 :NGIVIFDPAPAQGINEE T0375 180 :LFGYGDVVFVSKDVAKH 1vm7A 168 :IFQYLDYLTPNEKEIEA T0375 197 :L 1vm7A 190 :F T0375 198 :GFQSAEEALRGLYGRV 1vm7A 192 :EFLTVEKAAEKFLELG T0375 216 :GAVLVCAWAEEGADALG 1vm7A 208 :VKNVIVKLGDKGVLLVN T0375 234 :DGKLLHSDAF 1vm7A 225 :KNEKKHFPTF T0375 245 :PPRVVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCGLQGFDGI 1vm7A 235 :KVKAVDTTAAGDVFNGAFAVALSEGKNPEEAVIFGTAAAAISVTRLGAQSS Number of specific fragments extracted= 14 number of extra gaps= 1 total=1415 Number of alignments=91 # 1vm7A read from 1vm7A/merged-good-all-a2m # found chain 1vm7A in template set Warning: unaligning (T0375)G8 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1vm7A)S10 Warning: unaligning (T0375)L9 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1vm7A)S10 T0375 1 :GS 1vm7A 1 :MF T0375 3 :QILCV 1vm7A 4 :VISVV T0375 10 :VVLDVISLVDKYPKEDSEIRCLSQRWQRGGNASNSCTILSLL 1vm7A 11 :SNIDIVLKVDHFTKPGETQKAIEMNVFPGGKGANQAVTVAKI T0375 52 :GAPCAFMGSMAPGHVADFVLDDLRRYSV 1vm7A 54 :EKGCRFVTCIGNDDYSDLLIENYEKLGI T0375 82 :RYTVFQT 1vm7A 82 :TGYIRVS T0375 90 :GSVPIATVII 1vm7A 89 :LPTGRAFIEV T0375 101 :EASGSRTILYYDRSLPDVSATDFEKVDLTQFKWIHIEGRNA 1vm7A 99 :DKTGQNRIIIFPGANAELKKELIDWNTLSESDILLLQNEIP T0375 142 :SEQVKMLQRI 1vm7A 141 :ETTLECAKRF T0375 155 :NTRQPPEQ 1vm7A 151 :NGIVIFDP T0375 164 :IR 1vm7A 160 :PA T0375 171 :EKPRE 1vm7A 162 :QGINE T0375 179 :QLFGYGDVVFVSKDVAKH 1vm7A 167 :EIFQYLDYLTPNEKEIEA T0375 197 :L 1vm7A 190 :F T0375 198 :GFQSAEEA 1vm7A 192 :EFLTVEKA T0375 209 :LYGRVRKGA 1vm7A 200 :AEKFLELGV T0375 218 :VLVCAWAEEGADALGPD 1vm7A 210 :NVIVKLGDKGVLLVNKN T0375 236 :KLLHSDAF 1vm7A 227 :EKKHFPTF T0375 245 :PPRVVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCGLQGFDGIV 1vm7A 235 :KVKAVDTTAAGDVFNGAFAVALSEGKNPEEAVIFGTAAAAISVTRLGAQSSI Number of specific fragments extracted= 18 number of extra gaps= 1 total=1433 Number of alignments=92 # 1vm7A read from 1vm7A/merged-good-all-a2m # found chain 1vm7A in template set Warning: unaligning (T0375)G8 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1vm7A)S10 Warning: unaligning (T0375)L9 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1vm7A)S10 T0375 2 :SQILCV 1vm7A 3 :LVISVV T0375 10 :VVLDVISLVDKYPKEDSEIRCLSQRWQRGGNASNSCTILSLL 1vm7A 11 :SNIDIVLKVDHFTKPGETQKAIEMNVFPGGKGANQAVTVAKI T0375 52 :GAPCAFMGSMAPGHVADFVLDDLRRYSV 1vm7A 54 :EKGCRFVTCIGNDDYSDLLIENYEKLGI T0375 82 :RYTVFQTT 1vm7A 82 :TGYIRVSL T0375 91 :SVPIATVIINEASGSRTILYYDRSLP 1vm7A 90 :PTGRAFIEVDKTGQNRIIIFPGANAE T0375 118 :VSATDFEKVDLTQFKWIHI 1vm7A 116 :LKKELIDWNTLSESDILLL T0375 138 :GRNASEQVKM 1vm7A 135 :QNEIPFETTL T0375 151 :IDAHNTRQPPEQKIRVSVEVEK 1vm7A 145 :ECAKRFNGIVIFDPAPAQGINE T0375 179 :QLFGYGDVVFVSKDVAKHLGFQ 1vm7A 167 :EIFQYLDYLTPNEKEIEALSKD T0375 201 :SAEEA 1vm7A 194 :LTVEK T0375 207 :RGLYGRVRKGAVLVCAWAEEGADALGPDG 1vm7A 199 :AAEKFLELGVKNVIVKLGDKGVLLVNKNE T0375 238 :LHSDAFPPPRVVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCGLQGF 1vm7A 228 :KKHFPTFKVKAVDTTAAGDVFNGAFAVALSEGKNPEEAVIFGTAAAAISVTRLGA Number of specific fragments extracted= 12 number of extra gaps= 1 total=1445 Number of alignments=93 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1z15A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1z15A expands to /projects/compbio/data/pdb/1z15.pdb.gz 1z15A:# T0375 read from 1z15A/merged-good-all-a2m # 1z15A read from 1z15A/merged-good-all-a2m # adding 1z15A to template set # found chain 1z15A in template set T0375 1 :GSQILCVG 1z15A 2 :DIKVAVVG T0375 23 :KEDSEI 1z15A 11 :MSGPVA T0375 40 :NASNSCTILSL 1z15A 124 :QGPTAAKYILE T0375 51 :LGAPCAFMGSMAP 1z15A 136 :VKPQRIAIVHDKQ T0375 64 :GHVADFVLDDLRRYSVDLRYTVFQTT 1z15A 152 :EGLARAVQDGLKKGNANVVFFDGITA T0375 103 :SGS 1z15A 178 :GEK T0375 117 :DV 1z15A 181 :DF T0375 120 :ATDFEKVDLTQFKWIHIEGR 1z15A 183 :STLVARLKKENIDFVYYGGY T0375 141 :ASEQVKMLQRIDAHNTR 1z15A 203 :HPEMGQILRQARAAGLK T0375 158 :QPPEQK 1z15A 221 :QFMGPE T0375 167 :SVEVEKPREELFQLFGYGDVVFVS 1z15A 227 :GVANVSLSNIAGESAEGLLVTKPK T0375 191 :KDVAKHLGF 1z15A 262 :VDAIKAKKQ T0375 200 :QSAEEALRGLYGRV 1z15A 295 :DDPAEIAKYLKANS T0375 216 :GA 1z15A 309 :VD T0375 221 :CAWAEEG 1z15A 316 :LTWDEKG T0375 228 :ADALGPDGKLLHS 1z15A 331 :VFDWHANGTATDA Number of specific fragments extracted= 16 number of extra gaps= 0 total=1461 Number of alignments=94 # 1z15A read from 1z15A/merged-good-all-a2m # found chain 1z15A in template set T0375 2 :S 1z15A 2 :D T0375 3 :QILCVGL 1z15A 4 :KVAVVGA T0375 22 :PKE 1z15A 11 :MSG T0375 40 :NASNSCTILSL 1z15A 124 :QGPTAAKYILE T0375 51 :LGAPC 1z15A 136 :VKPQR T0375 57 :FMGSMAPG 1z15A 141 :IAIVHDKQ T0375 65 :HVADFVLDDLRRYSVDLRYTVFQTT 1z15A 153 :GLARAVQDGLKKGNANVVFFDGITA T0375 103 :SG 1z15A 178 :GE T0375 116 :PDV 1z15A 180 :KDF T0375 120 :ATDFEKVDLTQFKWIHIEGRNA 1z15A 183 :STLVARLKKENIDFVYYGGYHP T0375 143 :EQVKMLQRIDAHNTR 1z15A 205 :EMGQILRQARAAGLK T0375 158 :QPPEQKIRVS 1z15A 221 :QFMGPEGVAN T0375 171 :EKPREELFQLFGYGDVVFVS 1z15A 231 :VSLSNIAGESAEGLLVTKPK T0375 191 :KDVAKHLGFQ 1z15A 262 :VDAIKAKKQD T0375 201 :SAEEALRGLYG 1z15A 296 :DPAEIAKYLKA Number of specific fragments extracted= 15 number of extra gaps= 0 total=1476 Number of alignments=95 # 1z15A read from 1z15A/merged-good-all-a2m # found chain 1z15A in template set T0375 10 :VVLDVISLVDKYPKEDSEIRCLSQRWQ 1z15A 95 :LMITPAATAPELTARGYQLILRTTGLD T0375 39 :GNASNSCTILSLL 1z15A 123 :DQGPTAAKYILEK T0375 53 :A 1z15A 138 :P T0375 54 :PCAFMGS 1z15A 140 :RIAIVHD T0375 62 :AP 1z15A 147 :KQ T0375 64 :GHVADFVLDDLRRYSVDLRYTVFQTTG 1z15A 152 :EGLARAVQDGLKKGNANVVFFDGITAG T0375 116 :PDVSATDFEKVDLTQFKWIHIEGRN 1z15A 179 :EKDFSTLVARLKKENIDFVYYGGYH T0375 144 :QVKMLQRIDAHNTRQPPEQKIRVSVEVEKPREELFQLFGYGDVVFVS 1z15A 204 :PEMGQILRQARAAGLKTQFMGPEGVANVSLSNIAGESAEGLLVTKPK T0375 201 :SAEEALRGL 1z15A 257 :ANKPIVDAI T0375 212 :RVRKG 1z15A 266 :KAKKQ T0375 240 :SDAF 1z15A 271 :DPSG T0375 257 :TFNASVIFSL 1z15A 275 :AFVWTTYAAL T0375 267 :SQGRSVQEALRFGCQ 1z15A 292 :NQSDDPAEIAKYLKA Number of specific fragments extracted= 13 number of extra gaps= 0 total=1489 Number of alignments=96 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2afbA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2afbA expands to /projects/compbio/data/pdb/2afb.pdb.gz 2afbA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # T0375 read from 2afbA/merged-good-all-a2m # 2afbA read from 2afbA/merged-good-all-a2m # adding 2afbA to template set # found chain 2afbA in template set Warning: unaligning (T0375)Q33 because of BadResidue code BAD_PEPTIDE in next template residue (2afbA)D28 Warning: unaligning (T0375)R34 because of BadResidue code BAD_PEPTIDE at template residue (2afbA)D28 Warning: unaligning (T0375)I94 because of BadResidue code NON_PLANAR_PEPTIDE in next template residue (2afbA)Y88 Warning: unaligning (T0375)A95 because of BadResidue code NON_PLANAR_PEPTIDE at template residue (2afbA)Y88 Warning: unaligning (T0375)V189 because of BadResidue code BAD_PEPTIDE in next template residue (2afbA)N194 Warning: unaligning (T0375)S190 because of BadResidue code BAD_PEPTIDE at template residue (2afbA)N194 Warning: unaligning (T0375)P246 because of BadResidue code BAD_PEPTIDE in next template residue (2afbA)H271 Warning: unaligning (T0375)R247 because of BadResidue code BAD_PEPTIDE at template residue (2afbA)H271 T0375 1 :GSQILCVGLVVLDVISL 2afbA 0 :HMKVVTFGEIMLRLSPP T0375 19 :DKY 2afbA 17 :DHK T0375 26 :SEIRCLS 2afbA 20 :RIFQTDS T0375 35 :WQRGGNASNSCTILSLLGAPCAFMGSMAPGHVADFVLDDLRRYSVDLRYTVFQTT 2afbA 29 :VTYGGAEANVAAFLAQMGLDAYFVTKLPNNPLGDAAAGHLRKFGVKTDYIARGGN T0375 91 :SVP 2afbA 84 :RIG T0375 96 :TVIINEASGSRTILYYDR 2afbA 89 :FLEIGASQRPSKVVYDRA T0375 114 :SLPDVSATDFEKVD 2afbA 109 :AISEAKREDFDWEK T0375 128 :LTQFKWIHIEGRNASEQ 2afbA 124 :LDGARWFHFSGITPPLG T0375 145 :VKMLQRIDAHNTRQPPEQKIRVSVEV 2afbA 148 :EDALKVANEKGVTVSCDLNYRARLWT T0375 171 :EKPREELFQLFGYGDVVF 2afbA 175 :EEAQKVMIPFMEYVDVLI T0375 191 :KDVAKHL 2afbA 195 :EEDIEKV T0375 198 :GF 2afbA 203 :GI T0375 200 :QSAEEALRGLYGRV 2afbA 219 :EAYAKIAEEVTRKY T0375 215 :KGAVLVCAWAE 2afbA 233 :NFKTVGITLRE T0375 228 :ADALG 2afbA 254 :VMVFE T0375 234 :DGKLLHSDAF 2afbA 259 :NGQPHFSNRY T0375 245 :P 2afbA 269 :E T0375 248 :VVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCGLQGF 2afbA 272 :IVDRVGAGDSFAGALIYGSLMGFDSQKKAEFAAAASCLKHTIPGD Number of specific fragments extracted= 18 number of extra gaps= 4 total=1507 Number of alignments=97 # 2afbA read from 2afbA/merged-good-all-a2m # found chain 2afbA in template set Warning: unaligning (T0375)Q33 because of BadResidue code BAD_PEPTIDE in next template residue (2afbA)D28 Warning: unaligning (T0375)R34 because of BadResidue code BAD_PEPTIDE at template residue (2afbA)D28 Warning: unaligning (T0375)I94 because of BadResidue code NON_PLANAR_PEPTIDE in next template residue (2afbA)Y88 Warning: unaligning (T0375)A95 because of BadResidue code NON_PLANAR_PEPTIDE at template residue (2afbA)Y88 Warning: unaligning (T0375)V189 because of BadResidue code BAD_PEPTIDE in next template residue (2afbA)N194 Warning: unaligning (T0375)S190 because of BadResidue code BAD_PEPTIDE at template residue (2afbA)N194 Warning: unaligning (T0375)S201 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (2afbA)N217 Warning: unaligning (T0375)P246 because of BadResidue code BAD_PEPTIDE in next template residue (2afbA)H271 Warning: unaligning (T0375)R247 because of BadResidue code BAD_PEPTIDE at template residue (2afbA)H271 T0375 1 :GSQILCVGLVVLDVI 2afbA 0 :HMKVVTFGEIMLRLS T0375 22 :PKEDSEIR 2afbA 15 :PPDHKRIF T0375 30 :CLS 2afbA 24 :TDS T0375 35 :WQRGGNASNSCTILSLLGAPCAFMGSMAPGHVADFVLDDLRRYSVDLRYTVFQTT 2afbA 29 :VTYGGAEANVAAFLAQMGLDAYFVTKLPNNPLGDAAAGHLRKFGVKTDYIARGGN T0375 91 :SVP 2afbA 84 :RIG T0375 96 :TVIINEASGSRTILYYDR 2afbA 89 :FLEIGASQRPSKVVYDRA T0375 114 :SLPDVSATDFEKVD 2afbA 109 :AISEAKREDFDWEK T0375 128 :LTQFKWIHIEGRNAS 2afbA 124 :LDGARWFHFSGITPP T0375 143 :EQVKMLQRIDAHNTRQPPEQKIRVSVEV 2afbA 146 :ILEDALKVANEKGVTVSCDLNYRARLWT T0375 171 :EKPREELFQLFGYGDVVF 2afbA 175 :EEAQKVMIPFMEYVDVLI T0375 191 :KDVAKHL 2afbA 195 :EEDIEKV T0375 198 :GFQ 2afbA 203 :GIS T0375 202 :AEEALRGLYGRVRK 2afbA 218 :REAYAKIAEEVTRK T0375 216 :GA 2afbA 233 :NF T0375 218 :VLVCAWAE 2afbA 236 :TVGITLRE T0375 228 :ADALGPD 2afbA 254 :VMVFENG T0375 236 :KLLHSDAF 2afbA 261 :QPHFSNRY T0375 245 :P 2afbA 269 :E T0375 248 :VVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCGLQGF 2afbA 272 :IVDRVGAGDSFAGALIYGSLMGFDSQKKAEFAAAASCLKHTIPGD Number of specific fragments extracted= 19 number of extra gaps= 4 total=1526 Number of alignments=98 # 2afbA read from 2afbA/merged-good-all-a2m # found chain 2afbA in template set Warning: unaligning (T0375)Q33 because of BadResidue code BAD_PEPTIDE in next template residue (2afbA)D28 Warning: unaligning (T0375)R34 because of BadResidue code BAD_PEPTIDE at template residue (2afbA)D28 Warning: unaligning (T0375)I94 because of BadResidue code NON_PLANAR_PEPTIDE in next template residue (2afbA)Y88 Warning: unaligning (T0375)A95 because of BadResidue code NON_PLANAR_PEPTIDE at template residue (2afbA)Y88 Warning: unaligning (T0375)V189 because of BadResidue code BAD_PEPTIDE in next template residue (2afbA)N194 Warning: unaligning (T0375)S190 because of BadResidue code BAD_PEPTIDE at template residue (2afbA)N194 Warning: unaligning (T0375)P246 because of BadResidue code BAD_PEPTIDE in next template residue (2afbA)H271 Warning: unaligning (T0375)R247 because of BadResidue code BAD_PEPTIDE at template residue (2afbA)H271 T0375 1 :GSQILCVGLVVLDVISL 2afbA 0 :HMKVVTFGEIMLRLSPP T0375 19 :DKYPKED 2afbA 17 :DHKRIFQ T0375 30 :CLS 2afbA 24 :TDS T0375 35 :WQRGGNASNSCTILSLLGAPCAFMGSMAPGHVADFVLDDLRRYSVDLRYTVFQTT 2afbA 29 :VTYGGAEANVAAFLAQMGLDAYFVTKLPNNPLGDAAAGHLRKFGVKTDYIARGGN T0375 91 :SVP 2afbA 84 :RIG T0375 96 :TVIINEASGSRTILYYDR 2afbA 89 :FLEIGASQRPSKVVYDRA T0375 114 :SLPDVSATDFEKV 2afbA 109 :AISEAKREDFDWE T0375 127 :DLTQFKWIHIEGRNASE 2afbA 123 :ILDGARWFHFSGITPPL T0375 144 :QVKMLQRIDAHNTRQPPEQKIRVSVEVE 2afbA 145 :LILEDALKVANEKGVTVSCDLNYRARLW T0375 172 :KPREELFQLFGYGDVVF 2afbA 176 :EAQKVMIPFMEYVDVLI T0375 191 :KDVAKHLGFQ 2afbA 195 :EEDIEKVLGI T0375 201 :SAEEALRGLYGRVRKGAVLVCAWAEE 2afbA 219 :EAYAKIAEEVTRKYNFKTVGITLRES T0375 227 :GADALGPDG 2afbA 253 :SVMVFENGQ T0375 238 :LHSDAFPP 2afbA 262 :PHFSNRYE T0375 248 :VVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCGLQGF 2afbA 272 :IVDRVGAGDSFAGALIYGSLMGFDSQKKAEFAAAASCLKHTIPGD Number of specific fragments extracted= 15 number of extra gaps= 4 total=1541 Number of alignments=99 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1lioA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments Warning: Couldn't open file /projects/compbio/experiments/protein-predict/casp7/T0375/1lioA/merged-good-all-a2m or /projects/compbio/experiments/protein-predict/casp7/T0375/1lioA/merged-good-all-a2m.gz for input Trying 1lioA/merged-good-all-a2m Error: Couldn't open file 1lioA/merged-good-all-a2m or 1lioA/merged-good-all-a2m.gz for input # Reading fragments from alignment file # Attempting to read fragment alignments from file 1ua4A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1ua4A expands to /projects/compbio/data/pdb/1ua4.pdb.gz 1ua4A:# T0375 read from 1ua4A/merged-good-all-a2m # 1ua4A read from 1ua4A/merged-good-all-a2m # adding 1ua4A to template set # found chain 1ua4A in template set Warning: unaligning (T0375)V7 because of BadResidue code BAD_PEPTIDE in next template residue (1ua4A)Y29 Warning: unaligning (T0375)G8 because of BadResidue code BAD_PEPTIDE at template residue (1ua4A)Y29 T0375 2 :SQILC 1ua4A 23 :KGVLL T0375 9 :LVVLDVISLVD 1ua4A 30 :NTNIDAIKYLD T0375 29 :RCLSQRWQRGGNASNSCTILSLL 1ua4A 102 :RWGWNELRMGGQAGIMANLLGGV T0375 52 :GAPCAFMGSMAPGHVA 1ua4A 126 :GVPVIVHVPQLSRLQA T0375 76 :RY 1ua4A 142 :NL T0375 80 :DLRYTVFQTT 1ua4A 148 :PIYVPTLENG T0375 91 :SVPIATVIINE 1ua4A 172 :ENCIHYIYEFP T0375 103 :SG 1ua4A 183 :RG T0375 105 :SRTILYYDR 1ua4A 196 :NRFIGSADD T0375 114 :SLPDVSATDFEKVD 1ua4A 206 :NTTLFIREEFRESF T0375 128 :LTQFKWIHIEG 1ua4A 223 :IKNVQLAILSG T0375 139 :RNASEQ 1ua4A 241 :NYKEPF T0375 145 :VKMLQRIDAHNTRQPPEQKIRV 1ua4A 250 :KSNLEVLNEREIPVHLEFAFTP T0375 170 :VEKPREELFQLFGYGDVVFVSKDVA 1ua4A 272 :DEKVREEILNVLGMFYSVGLNEVEL T0375 195 :KHLGF 1ua4A 301 :EILGE T0375 200 :QSAE 1ua4A 318 :VDPI T0375 204 :EALRGLYGRV 1ua4A 325 :EAMLKLAKKT T0375 215 :KGAVLVCAWAEE 1ua4A 335 :GVKRIHFHTYGY T0375 228 :ADALGP 1ua4A 347 :YLALTE T0375 234 :DGKLLHSDAFPPPRVVDTLGAGDTFNASVIFSLS 1ua4A 418 :GYQIAFIPTKIVAKPKSTVGIGDTISSSAFIGEF Number of specific fragments extracted= 20 number of extra gaps= 1 total=1561 Number of alignments=100 # 1ua4A read from 1ua4A/merged-good-all-a2m # found chain 1ua4A in template set Warning: unaligning (T0375)V7 because of BadResidue code BAD_PEPTIDE in next template residue (1ua4A)Y29 Warning: unaligning (T0375)G8 because of BadResidue code BAD_PEPTIDE at template residue (1ua4A)Y29 T0375 2 :SQILC 1ua4A 23 :KGVLL T0375 9 :LVVLDVISLVDK 1ua4A 30 :NTNIDAIKYLDS T0375 38 :GGNASNSCTILSLL 1ua4A 111 :GGQAGIMANLLGGV T0375 52 :GAPCAFMGSMAPGHVA 1ua4A 126 :GVPVIVHVPQLSRLQA T0375 76 :RY 1ua4A 142 :NL T0375 80 :DLRYTVFQTTGSVPI 1ua4A 148 :PIYVPTLENGEVKLI T0375 95 :ATVIINEAS 1ua4A 176 :HYIYEFPRG T0375 105 :SRTILYYDRSLPDVS 1ua4A 196 :NRFIGSADDYNTTLF T0375 120 :ATDFE 1ua4A 212 :REEFR T0375 125 :KVD 1ua4A 218 :SFS T0375 128 :LTQFKWIHIEGRN 1ua4A 223 :IKNVQLAILSGLQ T0375 142 :S 1ua4A 240 :E T0375 143 :EQVKMLQRIDAHNTRQPPEQKIRVS 1ua4A 248 :IVKSNLEVLNEREIPVHLEFAFTPD T0375 171 :EKPREELFQLFGYGDVVFVSKDVA 1ua4A 273 :EKVREEILNVLGMFYSVGLNEVEL T0375 195 :KHLGFQ 1ua4A 301 :EILGEK T0375 201 :SAEEALRGLYGRVRK 1ua4A 319 :DPIAVTEAMLKLAKK T0375 216 :GA 1ua4A 335 :GV T0375 219 :LVCAWAEEGADALGP 1ua4A 338 :RIHFHTYGYYLALTE T0375 234 :DGKLLHSDAFPPPRVVDTLGAGDTFNASVIFSLS 1ua4A 418 :GYQIAFIPTKIVAKPKSTVGIGDTISSSAFIGEF Number of specific fragments extracted= 19 number of extra gaps= 1 total=1580 Number of alignments=101 # 1ua4A read from 1ua4A/merged-good-all-a2m # found chain 1ua4A in template set Warning: unaligning (T0375)V7 because of BadResidue code BAD_PEPTIDE in next template residue (1ua4A)Y29 Warning: unaligning (T0375)G8 because of BadResidue code BAD_PEPTIDE at template residue (1ua4A)Y29 T0375 2 :SQILC 1ua4A 23 :KGVLL T0375 9 :LVVLDVISLVD 1ua4A 30 :NTNIDAIKYLD T0375 37 :RGGNASNSCTILSLL 1ua4A 110 :MGGQAGIMANLLGGV T0375 52 :GAPCAFMGSMAPGHVA 1ua4A 126 :GVPVIVHVPQLSRLQA T0375 76 :RYSV 1ua4A 142 :NLFL T0375 80 :DLRYTVFQTT 1ua4A 148 :PIYVPTLENG T0375 90 :GSVPIATVIINEA 1ua4A 172 :ENCIHYIYEFPRG T0375 103 :SGSRTILYYDR 1ua4A 194 :RENRFIGSADD T0375 114 :SLPDVSATDF 1ua4A 206 :NTTLFIREEF T0375 124 :EKVDLTQFKWIHIEGRNASE 1ua4A 219 :FSEVIKNVQLAILSGLQALT T0375 144 :QVKMLQRIDAHNTRQPPEQKIRVS 1ua4A 247 :EIVKSNLEVLNEREIPVHLEFAFT T0375 169 :EVEKPREELFQLFGYGDVVFVS 1ua4A 271 :PDEKVREEILNVLGMFYSVGLN T0375 191 :KDVAKHLGFQ 1ua4A 306 :KKLAKELLAH T0375 201 :SAEE 1ua4A 319 :DPIA T0375 205 :ALRGLYGRVRKGAVLVCAWA 1ua4A 325 :EAMLKLAKKTGVKRIHFHTY T0375 226 :EGADALGPDG 1ua4A 345 :GYYLALTEYK T0375 236 :KLLHSDAFPPPRVVDTLGAGDTFNASVIFSLS 1ua4A 420 :QIAFIPTKIVAKPKSTVGIGDTISSSAFIGEF Number of specific fragments extracted= 17 number of extra gaps= 1 total=1597 Number of alignments=102 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2f02A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2f02A expands to /projects/compbio/data/pdb/2f02.pdb.gz 2f02A:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # T0375 read from 2f02A/merged-good-all-a2m # 2f02A read from 2f02A/merged-good-all-a2m # adding 2f02A to template set # found chain 2f02A in template set Warning: unaligning (T0375)S2 because first residue in template chain is (2f02A)S0 T0375 3 :QILCVG 2f02A 1 :LIVTVT T0375 9 :LVVLDVISLVDKY 2f02A 8 :NPSIDISYLLDHL T0375 23 :KEDSEIRCLSQRWQRGGNASNSCTILSLLGAPCAFMGSMA 2f02A 21 :KLDTVNRTSQVTKTPGGKGLNVTRVIHDLGGDVIATGVLG T0375 64 :GHVADFVLDDLRRYSVDLRYTVF 2f02A 61 :GFHGAFIANELKKANIPQAFTSI T0375 89 :TGSVPIATVIIN 2f02A 84 :KEETRDSIAILH T0375 103 :SGSRTILYYDR 2f02A 96 :EGNQTEILEAG T0375 116 :PDVSATDFEKVD 2f02A 107 :PTVSPEEISNFL T0375 128 :LTQFKWIHIEGRNASEQ 2f02A 125 :IKQAEIVTISGSLAKGL T0375 145 :VKMLQRIDAHNTRQPPEQK 2f02A 147 :QELVQKAHAQEVKVLLDTS T0375 171 :E 2f02A 166 :G T0375 175 :EELFQLFGY 2f02A 167 :DSLRQVLQG T0375 184 :GDVVFVSKDVAKHL 2f02A 179 :PYLIKPNLEELEGL T0375 198 :GF 2f02A 194 :GQ T0375 200 :QSAEEALRGLYG 2f02A 200 :NPLAAVQTALTK T0375 212 :RVRKGAVLVCAWAEEGADALG 2f02A 213 :MFAGIEWIVISLGKDGAIAKH T0375 234 :DGKLLHSDA 2f02A 234 :HDQFYRVKI T0375 244 :PPPRVVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCGL 2f02A 243 :PTIQAKNPVGSGDATIAGLAYGLAKDAPAAELLKWGMAAGMANAQE Number of specific fragments extracted= 17 number of extra gaps= 0 total=1614 Number of alignments=103 # 2f02A read from 2f02A/merged-good-all-a2m # found chain 2f02A in template set Warning: unaligning (T0375)S2 because first residue in template chain is (2f02A)S0 T0375 3 :QILCVG 2f02A 1 :LIVTVT T0375 9 :LVVLDVISLVDK 2f02A 8 :NPSIDISYLLDH T0375 22 :PKEDSEIRCLSQRWQRGGNASNSCTILSLLGAPCAFMGSMAP 2f02A 20 :LKLDTVNRTSQVTKTPGGKGLNVTRVIHDLGGDVIATGVLGG T0375 65 :HVADFVLDDLRRYSVDLRYTVF 2f02A 62 :FHGAFIANELKKANIPQAFTSI T0375 89 :TGSVPIATVIIN 2f02A 84 :KEETRDSIAILH T0375 103 :SGSRTILYYDR 2f02A 96 :EGNQTEILEAG T0375 116 :PDVSATDFEKVD 2f02A 107 :PTVSPEEISNFL T0375 128 :LTQFKWIHIEGRNA 2f02A 125 :IKQAEIVTISGSLA T0375 142 :S 2f02A 140 :G T0375 143 :EQVKMLQRIDAHNTRQPPEQKI 2f02A 145 :FYQELVQKAHAQEVKVLLDTSG T0375 175 :EELFQLFGY 2f02A 167 :DSLRQVLQG T0375 184 :GDVVFVSKDVAKHL 2f02A 179 :PYLIKPNLEELEGL T0375 198 :GFQ 2f02A 194 :GQD T0375 201 :SAEEALRGLY 2f02A 201 :PLAAVQTALT T0375 215 :KGA 2f02A 215 :AGI T0375 218 :VLVCAWAEEGADALGPD 2f02A 219 :WIVISLGKDGAIAKHHD T0375 236 :KLLHSDAF 2f02A 236 :QFYRVKIP T0375 245 :PPRVVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCGLQ 2f02A 244 :TIQAKNPVGSGDATIAGLAYGLAKDAPAAELLKWGMAAGMANAQER Number of specific fragments extracted= 18 number of extra gaps= 0 total=1632 Number of alignments=104 # 2f02A read from 2f02A/merged-good-all-a2m # found chain 2f02A in template set Warning: unaligning (T0375)S2 because first residue in template chain is (2f02A)S0 T0375 3 :QILCVG 2f02A 1 :LIVTVT T0375 9 :LVVLDVISLVDK 2f02A 8 :NPSIDISYLLDH T0375 22 :PKEDSEIRCLSQRWQRGGNASNSCTILSLLGAPCAFMGSMA 2f02A 20 :LKLDTVNRTSQVTKTPGGKGLNVTRVIHDLGGDVIATGVLG T0375 64 :GHVADFVLDDLRRYSVDLRYTVFQTTGS 2f02A 61 :GFHGAFIANELKKANIPQAFTSIKEETR T0375 94 :IATVIINEASGSRTILYYDRSLPDVSATDFEKV 2f02A 89 :DSIAILHEGNQTEILEAGPTVSPEEISNFLENF T0375 127 :DLTQFKWIHIEGRNASE 2f02A 124 :LIKQAEIVTISGSLAKG T0375 144 :QVKMLQRIDAHNTRQPPEQKIR 2f02A 144 :DFYQELVQKAHAQEVKVLLDTS T0375 174 :REELFQLFG 2f02A 166 :GDSLRQVLQ T0375 183 :YGDVVFVSKDVAKHLGFQ 2f02A 178 :KPYLIKPNLEELEGLLGQ T0375 201 :SAEE 2f02A 200 :NPLA T0375 207 :RGLYGRV 2f02A 204 :AVQTALT T0375 214 :RKGAVLVCAWAEEGADALGPDG 2f02A 215 :AGIEWIVISLGKDGAIAKHHDQ T0375 238 :LHSDAFPPPRVVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCGLQ 2f02A 237 :FYRVKIPTIQAKNPVGSGDATIAGLAYGLAKDAPAAELLKWGMAAGMANAQER Number of specific fragments extracted= 13 number of extra gaps= 0 total=1645 Number of alignments=105 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2lbp/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2lbp expands to /projects/compbio/data/pdb/2lbp.pdb.gz 2lbp:Warning: there is no chain 2lbp will retry with 2lbpA # T0375 read from 2lbp/merged-good-all-a2m # 2lbp read from 2lbp/merged-good-all-a2m # adding 2lbp to template set # found chain 2lbp in template set Warning: unaligning (T0375)Q3 because of BadResidue code BAD_PEPTIDE in next template residue (2lbp)V5 Warning: unaligning (T0375)I4 because of BadResidue code BAD_PEPTIDE at template residue (2lbp)V5 Warning: unaligning (T0375)E24 because of BadResidue code BAD_PEPTIDE in next template residue (2lbp)G13 Warning: unaligning (T0375)D25 because of BadResidue code BAD_PEPTIDE at template residue (2lbp)G13 Warning: unaligning (T0375)S60 because of BadResidue code BAD_PEPTIDE in next template residue (2lbp)K147 Warning: unaligning (T0375)M61 because of BadResidue code BAD_PEPTIDE at template residue (2lbp)K147 Warning: unaligning (T0375)F69 because of BadResidue code BAD_PEPTIDE in next template residue (2lbp)V158 Warning: unaligning (T0375)V70 because of BadResidue code BAD_PEPTIDE at template residue (2lbp)V158 Warning: unaligning (T0375)G138 because of BadResidue code BAD_PEPTIDE in next template residue (2lbp)Y202 Warning: unaligning (T0375)R139 because of BadResidue code BAD_PEPTIDE at template residue (2lbp)Y202 Warning: unaligning (T0375)Q149 because of BadResidue code BAD_PEPTIDE in next template residue (2lbp)Q212 Warning: unaligning (T0375)R150 because of BadResidue code BAD_PEPTIDE at template residue (2lbp)Q212 Warning: unaligning (T0375)P159 because of BadResidue code BAD_PEPTIDE in next template residue (2lbp)M223 Warning: unaligning (T0375)P160 because of BadResidue code BAD_PEPTIDE at template residue (2lbp)M223 Warning: unaligning (T0375)Q200 because of BadResidue code BAD_PEPTIDE at template residue (2lbp)D297 Warning: unaligning (T0375)S201 because of BadResidue code BAD_PEPTIDE at template residue (2lbp)E298 Warning: unaligning (T0375)E204 because of BadResidue code BAD_PEPTIDE in next template residue (2lbp)L302 Warning: unaligning (T0375)A205 because of BadResidue code BAD_PEPTIDE at template residue (2lbp)L302 Warning: unaligning (T0375)G211 because of BadResidue code BAD_PEPTIDE in next template residue (2lbp)N309 Warning: unaligning (T0375)R212 because of BadResidue code BAD_PEPTIDE at template residue (2lbp)N309 Warning: unaligning (T0375)V213 because of BadResidue code BAD_PEPTIDE at template residue (2lbp)G310 T0375 2 :S 2lbp 3 :I T0375 5 :LCVGL 2lbp 6 :AVVGA T0375 23 :K 2lbp 11 :M T0375 26 :SEI 2lbp 14 :PIA T0375 29 :RCLSQRWQRGGNASNSCTILSLL 2lbp 109 :RGYQHIMRTAGLDSSQGPTAAKY T0375 52 :GAPCAFMG 2lbp 138 :PQRIAIIH T0375 62 :AP 2lbp 148 :QQ T0375 64 :GHVAD 2lbp 152 :EGLAR T0375 71 :LDDLRRYSVDLRYTVFQT 2lbp 159 :QDGLKAANANVVFFDGIT T0375 102 :ASGS 2lbp 177 :AGEK T0375 117 :DV 2lbp 181 :DF T0375 120 :ATDFEKVDLTQFKWIHIE 2lbp 183 :SALIARLKKENIDFVYYG T0375 141 :ASEQVKML 2lbp 203 :YPEMGQML T0375 151 :IDAHNTR 2lbp 213 :ARSVGLK T0375 158 :Q 2lbp 221 :Q T0375 161 :EQ 2lbp 224 :GP T0375 166 :VSVEVEKPREELFQLFGYGDVVFVS 2lbp 226 :EGVGNASLSNIAGDAAEGMLVTMPK T0375 191 :KDVAKHL 2lbp 259 :QGIVDAL T0375 198 :GF 2lbp 269 :KK T0375 202 :AE 2lbp 299 :PL T0375 206 :LRGLY 2lbp 303 :VKDLK T0375 216 :GA 2lbp 311 :AN T0375 223 :WAEEG 2lbp 320 :WDEKG T0375 228 :ADALGPDGKLLHS 2lbp 333 :VFQWHADGSSTKA Number of specific fragments extracted= 24 number of extra gaps= 10 total=1669 Number of alignments=106 # 2lbp read from 2lbp/merged-good-all-a2m # found chain 2lbp in template set Warning: unaligning (T0375)Q3 because of BadResidue code BAD_PEPTIDE in next template residue (2lbp)V5 Warning: unaligning (T0375)I4 because of BadResidue code BAD_PEPTIDE at template residue (2lbp)V5 Warning: unaligning (T0375)S60 because of BadResidue code BAD_PEPTIDE in next template residue (2lbp)K147 Warning: unaligning (T0375)M61 because of BadResidue code BAD_PEPTIDE at template residue (2lbp)K147 Warning: unaligning (T0375)F69 because of BadResidue code BAD_PEPTIDE in next template residue (2lbp)V158 Warning: unaligning (T0375)V70 because of BadResidue code BAD_PEPTIDE at template residue (2lbp)V158 Warning: unaligning (T0375)G138 because of BadResidue code BAD_PEPTIDE in next template residue (2lbp)Y202 Warning: unaligning (T0375)R139 because of BadResidue code BAD_PEPTIDE at template residue (2lbp)Y202 Warning: unaligning (T0375)Q149 because of BadResidue code BAD_PEPTIDE in next template residue (2lbp)Q212 Warning: unaligning (T0375)R150 because of BadResidue code BAD_PEPTIDE at template residue (2lbp)Q212 Warning: unaligning (T0375)P159 because of BadResidue code BAD_PEPTIDE in next template residue (2lbp)M223 Warning: unaligning (T0375)P160 because of BadResidue code BAD_PEPTIDE at template residue (2lbp)M223 Warning: unaligning (T0375)S201 because of BadResidue code BAD_PEPTIDE at template residue (2lbp)E298 Warning: unaligning (T0375)E204 because of BadResidue code BAD_PEPTIDE in next template residue (2lbp)L302 Warning: unaligning (T0375)A205 because of BadResidue code BAD_PEPTIDE at template residue (2lbp)L302 Warning: unaligning (T0375)G211 because of BadResidue code BAD_PEPTIDE in next template residue (2lbp)N309 Warning: unaligning (T0375)K215 because of BadResidue code BAD_PEPTIDE at template residue (2lbp)N309 Warning: unaligning (T0375)G216 because of BadResidue code BAD_PEPTIDE at template residue (2lbp)G310 T0375 5 :LCVGLV 2lbp 6 :AVVGAM T0375 38 :GGNASNSCTILSLL 2lbp 118 :AGLDSSQGPTAAKY T0375 52 :GAPCAFMG 2lbp 138 :PQRIAIIH T0375 62 :AP 2lbp 148 :QQ T0375 64 :GHVAD 2lbp 152 :EGLAR T0375 71 :LDDLRRYSVDLRYTVFQT 2lbp 159 :QDGLKAANANVVFFDGIT T0375 102 :AS 2lbp 177 :AG T0375 115 :LPDV 2lbp 179 :EKDF T0375 120 :ATDFEKVDLTQFKWIHIE 2lbp 183 :SALIARLKKENIDFVYYG T0375 140 :N 2lbp 203 :Y T0375 142 :SEQVKML 2lbp 204 :PEMGQML T0375 151 :IDAHNTR 2lbp 213 :ARSVGLK T0375 158 :Q 2lbp 221 :Q T0375 161 :EQKIRVS 2lbp 224 :GPEGVGN T0375 171 :EKPREELFQLFGYGDVVFVS 2lbp 231 :ASLSNIAGDAAEGMLVTMPK T0375 191 :KDVAKHLGFQ 2lbp 262 :VDALKADKKD T0375 202 :AE 2lbp 299 :PL T0375 206 :LRGLY 2lbp 303 :VKDLK T0375 217 :A 2lbp 311 :A T0375 223 :WAEEG 2lbp 320 :WDEKG T0375 228 :ADALGPDGKLLHS 2lbp 333 :VFQWHADGSSTKA Number of specific fragments extracted= 21 number of extra gaps= 9 total=1690 Number of alignments=107 # 2lbp read from 2lbp/merged-good-all-a2m # found chain 2lbp in template set Warning: unaligning (T0375)P54 because of BadResidue code BAD_PEPTIDE in next template residue (2lbp)V5 Warning: unaligning (T0375)C55 because of BadResidue code BAD_PEPTIDE at template residue (2lbp)V5 Warning: unaligning (T0375)A62 because of BadResidue code BAD_PEPTIDE in next template residue (2lbp)G13 Warning: unaligning (T0375)P63 because of BadResidue code BAD_PEPTIDE at template residue (2lbp)G13 Warning: unaligning (T0375)L74 because of BadResidue code BAD_PEPTIDE in next template residue (2lbp)N34 Warning: unaligning (T0375)R75 because of BadResidue code BAD_PEPTIDE at template residue (2lbp)N34 Warning: unaligning (T0375)Y110 because of BadResidue code BAD_PEPTIDE in next template residue (2lbp)D50 Warning: unaligning (T0375)Y111 because of BadResidue code BAD_PEPTIDE at template residue (2lbp)D50 Warning: unaligning (T0375)D112 because of BadResidue code BAD_PEPTIDE at template residue (2lbp)D51 Warning: unaligning (T0375)S119 because of BadResidue code BAD_PEPTIDE in next template residue (2lbp)V59 Warning: unaligning (T0375)A120 because of BadResidue code BAD_PEPTIDE at template residue (2lbp)V59 Warning: unaligning (T0375)F131 because of BadResidue code BAD_PEPTIDE in next template residue (2lbp)K71 Warning: unaligning (T0375)K132 because of BadResidue code BAD_PEPTIDE at template residue (2lbp)K71 Warning: unaligning (T0375)I136 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2lbp)H76 Warning: unaligning (T0375)E137 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2lbp)H76 Warning: unaligning (T0375)H154 because of BadResidue code BAD_PEPTIDE in next template residue (2lbp)D91 Warning: unaligning (T0375)N155 because of BadResidue code BAD_PEPTIDE at template residue (2lbp)D91 Warning: unaligning (T0375)V189 because of BadResidue code BAD_PEPTIDE in next template residue (2lbp)K147 Warning: unaligning (T0375)S190 because of BadResidue code BAD_PEPTIDE at template residue (2lbp)K147 Warning: unaligning (T0375)Q200 because of BadResidue code BAD_PEPTIDE in next template residue (2lbp)V158 Warning: unaligning (T0375)W223 because of BadResidue code BAD_PEPTIDE in next template residue (2lbp)Y202 T0375 53 :A 2lbp 3 :I T0375 56 :AFMGSM 2lbp 6 :AVVGAM T0375 64 :GH 2lbp 14 :PI T0375 66 :VADFVLDD 2lbp 25 :GAEQAIKD T0375 76 :RYS 2lbp 35 :AKG T0375 101 :EASGSRTIL 2lbp 40 :KGDKLVGVE T0375 113 :RSLPDV 2lbp 52 :ACDPKQ T0375 121 :TDFEKVDLTQ 2lbp 60 :AVANKIVNDG T0375 133 :WIH 2lbp 72 :YVI T0375 138 :GRN 2lbp 77 :LCS T0375 144 :QVKMLQRIDA 2lbp 80 :SSTQPASDIY T0375 156 :TRQPPEQKIRVSVEVE 2lbp 92 :EGILMISPGATAPELT T0375 172 :KPREELFQLF 2lbp 123 :SQGPTAAKYI T0375 182 :GYGDVVF 2lbp 139 :QRIAIIH T0375 191 :KDVAKHLGF 2lbp 148 :QQYGEGLAR T0375 201 :SAEEALR 2lbp 181 :DFSALIA T0375 210 :YGRVRKGAVLVCA 2lbp 188 :RLKKENIDFVYYG Number of specific fragments extracted= 17 number of extra gaps= 11 total=1707 Number of alignments=108 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1jxhA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1jxhA expands to /projects/compbio/data/pdb/1jxh.pdb.gz 1jxhA:# T0375 read from 1jxhA/merged-good-all-a2m # 1jxhA read from 1jxhA/merged-good-all-a2m # adding 1jxhA to template set # found chain 1jxhA in template set Warning: unaligning (T0375)V168 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1jxhA)L116 Warning: unaligning (T0375)W223 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1jxhA)D187 Warning: unaligning (T0375)A228 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1jxhA)D187 Warning: unaligning (T0375)S240 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1jxhA)R202 Warning: unaligning (T0375)P245 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1jxhA)R202 T0375 1 :GSQILCVGLV 1jxhA 3 :RINALTIAGT T0375 35 :WQRGGNAS 1jxhA 13 :DPSGGAGI T0375 68 :DFVLDDLRRYSVDLRYTVF 1jxhA 21 :QADLKTFSALGAYGCSVIT T0375 96 :TVIINEASGSRTILYYDR 1jxhA 40 :ALVAENTCGVQSVYRIEP T0375 120 :ATDFEKVDLT 1jxhA 61 :AAQLDSVFSD T0375 130 :QFKWIHIEGRNASEQVKML 1jxhA 72 :RIDTTKIGMLAETDIVEAV T0375 149 :QRIDAHNTR 1jxhA 92 :ERLQRHHVR T0375 158 :QPPEQ 1jxhA 102 :VVLDT T0375 169 :EVEKPREELFQ 1jxhA 117 :LSPSAIETLRV T0375 180 :LFGYGDVVFVSKDVAKHL 1jxhA 129 :LLPQVSLITPNLPEAAAL T0375 198 :GF 1jxhA 148 :DA T0375 200 :QSAEEALRGLYGRV 1jxhA 156 :QEMLAQGRALLAMG T0375 216 :GAVLVCA 1jxhA 170 :CEAVLMK T0375 229 :DALG 1jxhA 188 :WLFT T0375 234 :DGKLLH 1jxhA 192 :REGEQR T0375 246 :PRVVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCGLQGFDGI 1jxhA 203 :VNTKNTHGTGCTLSAALAALRPRHRSWGETVNEAKAWLSAALAQADTLEV Number of specific fragments extracted= 16 number of extra gaps= 0 total=1723 Number of alignments=109 # 1jxhA read from 1jxhA/merged-good-all-a2m # found chain 1jxhA in template set Warning: unaligning (T0375)V168 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1jxhA)L116 Warning: unaligning (T0375)W223 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1jxhA)D187 Warning: unaligning (T0375)A228 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1jxhA)D187 Warning: unaligning (T0375)S240 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1jxhA)R202 Warning: unaligning (T0375)P245 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1jxhA)R202 T0375 1 :GSQILCVGL 1jxhA 3 :RINALTIAG T0375 17 :LVD 1jxhA 12 :TDP T0375 37 :RGGNASNSCT 1jxhA 15 :SGGAGIQADL T0375 47 :ILSLLGAPCAFMG 1jxhA 26 :TFSALGAYGCSVI T0375 83 :YTVFQT 1jxhA 39 :TALVAE T0375 101 :EASGSRTILYYDR 1jxhA 45 :NTCGVQSVYRIEP T0375 120 :ATDFEKVDLT 1jxhA 61 :AAQLDSVFSD T0375 130 :QFKWIHIEGRNA 1jxhA 72 :RIDTTKIGMLAE T0375 142 :SEQVKMLQRIDAHNTR 1jxhA 85 :DIVEAVAERLQRHHVR T0375 158 :QPPEQ 1jxhA 102 :VVLDT T0375 169 :EVEKPREELF 1jxhA 117 :LSPSAIETLR T0375 179 :QLFGYGDVVFVSKDVAKHL 1jxhA 128 :RLLPQVSLITPNLPEAAAL T0375 198 :GFQ 1jxhA 148 :DAP T0375 201 :SAEEALRGLYGRVRKGA 1jxhA 154 :TEQEMLAQGRALLAMGC T0375 218 :VLVCA 1jxhA 172 :AVLMK T0375 229 :DALGPDG 1jxhA 188 :WLFTREG T0375 237 :LLH 1jxhA 195 :EQR T0375 246 :PRVVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCGLQGFDGI 1jxhA 203 :VNTKNTHGTGCTLSAALAALRPRHRSWGETVNEAKAWLSAALAQADTLEV Number of specific fragments extracted= 18 number of extra gaps= 0 total=1741 Number of alignments=110 # 1jxhA read from 1jxhA/merged-good-all-a2m # found chain 1jxhA in template set Warning: unaligning (T0375)S167 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1jxhA)L116 Warning: unaligning (T0375)W223 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1jxhA)D187 Warning: unaligning (T0375)A228 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1jxhA)D187 Warning: unaligning (T0375)D241 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1jxhA)R202 Warning: unaligning (T0375)P245 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1jxhA)R202 T0375 1 :GSQILCVGL 1jxhA 3 :RINALTIAG T0375 17 :LV 1jxhA 12 :TD T0375 36 :QRGGNASNSC 1jxhA 14 :PSGGAGIQAD T0375 46 :TILSLLGAPCAFMG 1jxhA 25 :KTFSALGAYGCSVI T0375 94 :IATVIINEASGSRTIL 1jxhA 39 :TALVAENTCGVQSVYR T0375 111 :YD 1jxhA 55 :IE T0375 115 :LPDVSATDFEKVDLTQFKWIHIE 1jxhA 57 :PDFVAAQLDSVFSDVRIDTTKIG T0375 139 :RNASEQVKMLQRIDAHNTRQP 1jxhA 80 :MLAETDIVEAVAERLQRHHVR T0375 160 :PEQKIRV 1jxhA 102 :VVLDTVM T0375 172 :KPREELFQLF 1jxhA 120 :SAIETLRVRL T0375 182 :GYGDVVFVSKDVAKHLGFQ 1jxhA 131 :PQVSLITPNLPEAAALLDA T0375 201 :SAEEALRGL 1jxhA 153 :RTEQEMLAQ T0375 210 :YGRVRKGAVLVCA 1jxhA 164 :ALLAMGCEAVLMK T0375 229 :DALGPDG 1jxhA 188 :WLFTREG T0375 238 :LHS 1jxhA 195 :EQR T0375 246 :PRVVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQV 1jxhA 203 :VNTKNTHGTGCTLSAALAALRPRHRSWGETVNEAKAW Number of specific fragments extracted= 16 number of extra gaps= 0 total=1757 Number of alignments=111 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1usgA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0375 read from 1usgA/merged-good-all-a2m # 1usgA read from 1usgA/merged-good-all-a2m # found chain 1usgA in training set Warning: unaligning (T0375)H239 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1usgA)A345 T0375 2 :SQILCVG 1usgA 3 :IKVAVVG T0375 23 :KEDSEI 1usgA 11 :MSGPIA T0375 29 :RCLSQRWQRGG 1usgA 109 :RGYQHIMRTAG T0375 40 :NASNSCTILSL 1usgA 124 :QGPTAAKYILE T0375 51 :LGAPCAFMGSMAP 1usgA 136 :VKPQRIAIIHDKQ T0375 64 :GHVADFVLDDLRRYSVDLRYTVFQTT 1usgA 152 :EGLARSVQDGLKAANANVVFFDGITA T0375 103 :S 1usgA 178 :G T0375 115 :LPDV 1usgA 179 :EKDF T0375 120 :ATDFEKVDLTQFKWIHIEGR 1usgA 183 :SALIARLKKENIDFVYYGGY T0375 141 :ASEQVKMLQRIDAHNTR 1usgA 203 :YPEMGQMLRQARSVGLK T0375 158 :QPPEQ 1usgA 221 :QFMGP T0375 166 :VSVEVEKPREELFQLFGYGDVVFVS 1usgA 226 :EGVGNASLSNIAGDAAEGMLVTMPK T0375 191 :KDVAKHLGF 1usgA 262 :VDALKADKK T0375 200 :QSAEEALRGLYGRV 1usgA 297 :DEPLALVKDLKANG T0375 216 :G 1usgA 311 :A T0375 223 :WAEEG 1usgA 320 :WDEKG T0375 228 :ADALGPDGKLL 1usgA 333 :VFQWHADGSST Number of specific fragments extracted= 17 number of extra gaps= 1 total=1774 Number of alignments=112 # 1usgA read from 1usgA/merged-good-all-a2m # found chain 1usgA in training set T0375 1 :GS 1usgA 1 :DD T0375 3 :QILCVG 1usgA 4 :KVAVVG T0375 22 :PK 1usgA 11 :MS T0375 40 :NASNSCTILSL 1usgA 124 :QGPTAAKYILE T0375 51 :LGAPCAFMGSMAP 1usgA 136 :VKPQRIAIIHDKQ T0375 64 :GHVADFVLDDLRRYSVDLRYTVFQTTG 1usgA 152 :EGLARSVQDGLKAANANVVFFDGITAG T0375 115 :LPDV 1usgA 179 :EKDF T0375 120 :ATDFEKVDLTQFKWIHIEGRN 1usgA 183 :SALIARLKKENIDFVYYGGYY T0375 142 :SEQVKMLQRIDAHNTR 1usgA 204 :PEMGQMLRQARSVGLK T0375 158 :QPPEQKIRVS 1usgA 221 :QFMGPEGVGN T0375 171 :EKPREELFQLFGYGDVVFVS 1usgA 231 :ASLSNIAGDAAEGMLVTMPK T0375 203 :EEALRGLYG 1usgA 259 :QGIVDALKA T0375 233 :PDG 1usgA 268 :DKK T0375 245 :PPRV 1usgA 271 :DPSG T0375 257 :TFNASVIFSLSQ 1usgA 280 :TYAAVQSLATAL T0375 269 :GRSVQEALRFGCQ 1usgA 296 :SDEPLALVKDLKA Number of specific fragments extracted= 16 number of extra gaps= 0 total=1790 Number of alignments=113 # 1usgA read from 1usgA/merged-good-all-a2m # found chain 1usgA in training set T0375 10 :VVLDVISLVDKYPKEDSEIRCLSQRWQR 1usgA 95 :LMISPGATNPELTQRGYQHIMRTAGLDS T0375 39 :GNASNSCTILSLL 1usgA 123 :SQGPTAAKYILET T0375 52 :GAPCAFMGS 1usgA 138 :PQRIAIIHD T0375 62 :AP 1usgA 147 :KQ T0375 64 :GHVADFVLDDLRRYSVDLRYTVFQTTGS 1usgA 152 :EGLARSVQDGLKAANANVVFFDGITAGE T0375 117 :DVSATDFEKVDLTQFKWIHIEGRN 1usgA 180 :KDFSALIARLKKENIDFVYYGGYY T0375 144 :QVKMLQRIDAHNTRQPPEQKIRVSVEVEKPREELFQLFGYGDVVFVSK 1usgA 204 :PEMGQMLRQARSVGLKTQFMGPEGVGNASLSNIAGDAAEGMLVTMPKR T0375 201 :SAEEALRGLYGRVRKG 1usgA 257 :ANQGIVDALKADKKDP T0375 242 :AF 1usgA 273 :SG T0375 257 :TFNASVIFSLSQ 1usgA 280 :TYAAVQSLATAL T0375 269 :GRSVQEALRFGCQ 1usgA 296 :SDEPLALVKDLKA Number of specific fragments extracted= 11 number of extra gaps= 0 total=1801 Number of alignments=114 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1lhpA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1lhpA expands to /projects/compbio/data/pdb/1lhp.pdb.gz 1lhpA:# T0375 read from 1lhpA/merged-good-all-a2m # 1lhpA read from 1lhpA/merged-good-all-a2m # adding 1lhpA to template set # found chain 1lhpA in template set Warning: unaligning (T0375)G235 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1lhpA)G212 T0375 1 :GSQILCVGL 1lhpA 4 :ECRVLSIQS T0375 17 :LVDKY 1lhpA 13 :HVVRG T0375 64 :GHVADFVLDDLRRYSVDLRYTVF 1lhpA 18 :YVGNRAATFPLQVLGFEVDAVNS T0375 107 :TILYYDRSLPD 1lhpA 41 :VQFSNHTGYSH T0375 118 :VSATDFEKVD 1lhpA 57 :LNSDELQELY T0375 128 :LT 1lhpA 71 :LN T0375 130 :QFKWIHIEGRNASEQ 1lhpA 76 :QYDYVLTGYTRDKSF T0375 145 :VKMLQRIDAH 1lhpA 95 :VDIVQELKQQ T0375 155 :NTRQPPEQ 1lhpA 107 :RLVYVCDP T0375 163 :KIRVSVEVEKPREELFQ 1lhpA 122 :GEGAMYVPDDLLPVYRE T0375 180 :LFGYGDVVFVSKDVAKHL 1lhpA 140 :VVPVADIITPNQFEAELL T0375 198 :GF 1lhpA 159 :GR T0375 200 :QSAEEALRGLYGRV 1lhpA 166 :EEALEVMDMLHSMG T0375 216 :GAVLVCAWAE 1lhpA 180 :PDTVVITSSN T0375 226 :EG 1lhpA 194 :RG T0375 228 :ADALG 1lhpA 201 :ALGSQ T0375 236 :K 1lhpA 213 :S T0375 237 :LLHSDAF 1lhpA 218 :RIRMEMH T0375 245 :PPRVV 1lhpA 225 :KVDAV T0375 251 :TLGAGDTFNASVIFSLSQG 1lhpA 230 :FVGTGDLFAAMLLAWTHKH T0375 270 :RSVQEALRFGCQVAGKKCGL 1lhpA 250 :NNLKVACEKTVSAMHHVLQR Number of specific fragments extracted= 21 number of extra gaps= 0 total=1822 Number of alignments=115 # 1lhpA read from 1lhpA/merged-good-all-a2m # found chain 1lhpA in template set Warning: unaligning (T0375)G235 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1lhpA)G212 T0375 1 :GSQILCVGL 1lhpA 4 :ECRVLSIQS T0375 17 :LVDKYPK 1lhpA 13 :HVVRGYV T0375 40 :NASNSCTILSLLGAPCAF 1lhpA 20 :GNRAATFPLQVLGFEVDA T0375 81 :LRYTVFQTT 1lhpA 38 :VNSVQFSNH T0375 101 :EASGSR 1lhpA 47 :TGYSHW T0375 118 :VSATDFEKVD 1lhpA 57 :LNSDELQELY T0375 128 :LT 1lhpA 71 :LN T0375 130 :QFKWIHIEGRNA 1lhpA 76 :QYDYVLTGYTRD T0375 142 :S 1lhpA 89 :S T0375 143 :EQVKMLQRIDAH 1lhpA 93 :MVVDIVQELKQQ T0375 155 :NTRQPPEQ 1lhpA 107 :RLVYVCDP T0375 163 :KIRVSVEVEKPREELF 1lhpA 122 :GEGAMYVPDDLLPVYR T0375 179 :QLFGYGDVVFVSKDVAKHL 1lhpA 139 :KVVPVADIITPNQFEAELL T0375 198 :GFQ 1lhpA 159 :GRK T0375 201 :SAEEALRGLYGRVRKGA 1lhpA 164 :SQEEALEVMDMLHSMGP T0375 218 :VLVCAWAE 1lhpA 182 :TVVITSSN T0375 226 :EG 1lhpA 194 :RG T0375 228 :ADAL 1lhpA 201 :ALGS T0375 236 :KLLHSDAF 1lhpA 217 :QRIRMEMH T0375 245 :PPRVV 1lhpA 225 :KVDAV T0375 251 :TLGAGDTFNASVIFSLSQ 1lhpA 230 :FVGTGDLFAAMLLAWTHK T0375 269 :GRSVQEALRFGCQVAGKKCGL 1lhpA 249 :PNNLKVACEKTVSAMHHVLQR Number of specific fragments extracted= 22 number of extra gaps= 0 total=1844 Number of alignments=116 # 1lhpA read from 1lhpA/merged-good-all-a2m # found chain 1lhpA in template set T0375 1 :GSQILCVGLVV 1lhpA 4 :ECRVLSIQSHV T0375 33 :QRWQRGGNA 1lhpA 15 :VRGYVGNRA T0375 44 :SCTILSLLGAPCAFMGSMA 1lhpA 24 :ATFPLQVLGFEVDAVNSVQ T0375 81 :LRYTVFQTTGSVPI 1lhpA 43 :FSNHTGYSHWKGQV T0375 118 :VSATDF 1lhpA 57 :LNSDEL T0375 124 :EKVDLT 1lhpA 67 :DGLKLN T0375 130 :QFK 1lhpA 76 :QYD T0375 134 :IHIEGRNASEQVKMLQRIDAHN 1lhpA 79 :YVLTGYTRDKSFLAMVVDIVQE T0375 156 :TRQPPEQKIRVS 1lhpA 106 :PRLVYVCDPVMG T0375 172 :KPREELFQ 1lhpA 131 :DLLPVYRE T0375 180 :LFGYGDVVFVSKDVAKHLGFQ 1lhpA 140 :VVPVADIITPNQFEAELLTGR T0375 201 :S 1lhpA 164 :S T0375 202 :AEEALRGLYGRVRKGAVLVCAW 1lhpA 166 :EEALEVMDMLHSMGPDTVVITS T0375 224 :AEEG 1lhpA 195 :GSDY T0375 228 :ADALG 1lhpA 201 :ALGSQ T0375 238 :LHSDAFPPPRVV 1lhpA 218 :RIRMEMHKVDAV T0375 251 :TLGAGDTFNASVIFSLSQ 1lhpA 230 :FVGTGDLFAAMLLAWTHK T0375 269 :GRSVQEALRFGCQVAGKKCGL 1lhpA 249 :PNNLKVACEKTVSAMHHVLQR Number of specific fragments extracted= 18 number of extra gaps= 0 total=1862 Number of alignments=117 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1cg2A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1cg2A expands to /projects/compbio/data/pdb/1cg2.pdb.gz 1cg2A:# T0375 read from 1cg2A/merged-good-all-a2m # 1cg2A read from 1cg2A/merged-good-all-a2m # adding 1cg2A to template set # found chain 1cg2A in template set T0375 44 :SCTILSLL 1cg2A 43 :VIKTLEKL T0375 52 :GAPC 1cg2A 52 :NIET T0375 62 :APG 1cg2A 56 :GTG T0375 65 :HVADFVLDDLRRYSVDLRYTVFQTTGSVPIATVIIN 1cg2A 65 :AAGNFLEAELKNLGFTVTRSKSAGLVVGDNIVGKIK T0375 102 :ASGSR 1cg2A 101 :GRGGK T0375 132 :KWIHIEG 1cg2A 106 :NLLLMSH T0375 139 :RNASEQ 1cg2A 117 :YLKGIL T0375 145 :VKMLQRIDAHNTR 1cg2A 150 :LHTLKLLKEYGVR T0375 158 :QPPEQKIRVSVEVE 1cg2A 169 :VLFNTDEEKGSFGS T0375 174 :REELFQLFGYGDVVFV 1cg2A 183 :RDLIQEEAKLADYVLS T0375 197 :LGF 1cg2A 204 :AGD T0375 200 :QSAEEALRGLYGRVRKGA 1cg2A 238 :VNALVEASDLVLRTMNID T0375 223 :WAEEGADALGP 1cg2A 256 :DKAKNLRFNWT T0375 245 :PPRVVDTLGAG 1cg2A 350 :TLGVEERTGGG T0375 262 :VIFSLSQG 1cg2A 363 :AAYAALSG T0375 272 :VQEALRFGCQVAGKKC 1cg2A 397 :IPRRLYMAARLIMDLG Number of specific fragments extracted= 16 number of extra gaps= 0 total=1878 Number of alignments=118 # 1cg2A read from 1cg2A/merged-good-all-a2m # found chain 1cg2A in template set T0375 65 :HVADFVLDDLRRYSVDLRYTVFQTTGSVPIATVII 1cg2A 65 :AAGNFLEAELKNLGFTVTRSKSAGLVVGDNIVGKI T0375 101 :EASGSR 1cg2A 100 :KGRGGK T0375 132 :KWIHIEGRN 1cg2A 106 :NLLLMSHMD T0375 141 :A 1cg2A 118 :L T0375 142 :S 1cg2A 120 :G T0375 143 :EQVKMLQRIDAHNTR 1cg2A 148 :VILHTLKLLKEYGVR T0375 158 :QPPEQKIRVSV 1cg2A 169 :VLFNTDEEKGS T0375 171 :EKPREELFQLFGYGDVVFV 1cg2A 180 :FGSRDLIQEEAKLADYVLS T0375 197 :LGFQ 1cg2A 204 :AGDE T0375 201 :SAE 1cg2A 291 :RNE T0375 273 :QEALRFGCQVAGK 1cg2A 334 :KKLVDKAVAYYKE Number of specific fragments extracted= 11 number of extra gaps= 0 total=1889 Number of alignments=119 # 1cg2A read from 1cg2A/merged-good-all-a2m # found chain 1cg2A in template set T0375 65 :HVADFVLDDLRRYSVDLRYTVFQTTGSVPIATVIINEASG 1cg2A 65 :AAGNFLEAELKNLGFTVTRSKSAGLVVGDNIVGKIKGRGG T0375 131 :FKWIHIEGRNA 1cg2A 105 :KNLLLMSHMDT T0375 143 :E 1cg2A 116 :V T0375 144 :QVKMLQRIDAHNTRQP 1cg2A 147 :AVILHTLKLLKEYGVR T0375 160 :PEQKIRVSVEVEKPREELFQLFGYGDVVFV 1cg2A 169 :VLFNTDEEKGSFGSRDLIQEEAKLADYVLS Number of specific fragments extracted= 5 number of extra gaps= 0 total=1894 Number of alignments=120 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1j5vA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1j5vA expands to Error: no filename for 1j5vA 1j5vA expands to Error: no filename for 1j5vA 1j5vA expands to Error: no filename for 1j5vA # T0375 read from 1j5vA/merged-good-all-a2m # 1j5vA read from 1j5vA/merged-good-all-a2m # adding 1j5vA to template set Error: can't find template for 1j5vA or 1j5vA, so skipping it. # 1j5vA read from 1j5vA/merged-good-all-a2m # adding 1j5vA to template set Error: can't find template for 1j5vA or 1j5vA, so skipping it. # 1j5vA read from 1j5vA/merged-good-all-a2m # adding 1j5vA to template set Error: can't find template for 1j5vA or 1j5vA, so skipping it. # Reading fragments from alignment file # Attempting to read fragment alignments from file 1yx1A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1yx1A expands to /projects/compbio/data/pdb/1yx1.pdb.gz 1yx1A:Skipped atom 6, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 8, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 10, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 12, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 143, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 145, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 147, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 149, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 151, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 153, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 155, because occupancy 0.500 <= existing 0.500 in 1yx1A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 232, because occupancy 0.500 <= existing 0.500 in 1yx1A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 234, because occupancy 0.500 <= existing 0.500 in 1yx1A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 236, because occupancy 0.450 <= existing 0.450 in 1yx1A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 238, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 388, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 390, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 392, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 394, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 396, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 530, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 532, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 534, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 536, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 559, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 561, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 563, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 565, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 567, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 569, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 571, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 573, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 575, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 577, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 897, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 899, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 901, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 903, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 905, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 907, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 909, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 939, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 941, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 943, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 945, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 947, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 949, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 951, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 1128, because occupancy 0.400 <= existing 0.600 in 1yx1A Skipped atom 1130, because occupancy 0.400 <= existing 0.600 in 1yx1A Skipped atom 1132, because occupancy 0.400 <= existing 0.600 in 1yx1A Skipped atom 1134, because occupancy 0.400 <= existing 0.600 in 1yx1A Skipped atom 1136, because occupancy 0.400 <= existing 0.600 in 1yx1A Skipped atom 1138, because occupancy 0.400 <= existing 0.600 in 1yx1A Skipped atom 1140, because occupancy 0.400 <= existing 0.600 in 1yx1A Skipped atom 1192, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 1194, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 1196, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 1198, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 1200, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 1206, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 1208, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 1210, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 1212, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 1214, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 1216, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 1218, because occupancy 0.500 <= existing 0.500 in 1yx1A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1401, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 1403, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 1405, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 1407, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 1463, because occupancy 0.300 <= existing 0.700 in 1yx1A Skipped atom 1465, because occupancy 0.300 <= existing 0.700 in 1yx1A Skipped atom 1467, because occupancy 0.300 <= existing 0.700 in 1yx1A Skipped atom 1469, because occupancy 0.300 <= existing 0.700 in 1yx1A Skipped atom 1471, because occupancy 0.300 <= existing 0.700 in 1yx1A Skipped atom 1473, because occupancy 0.300 <= existing 0.700 in 1yx1A Skipped atom 1475, because occupancy 0.300 <= existing 0.700 in 1yx1A Skipped atom 1692, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 1694, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 1696, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 1698, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 1700, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 1741, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 1743, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 1745, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 1747, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 1749, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 1751, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 1753, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 2012, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 2014, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 2016, because occupancy 0.500 <= existing 0.500 in 1yx1A Skipped atom 2018, because occupancy 0.500 <= existing 0.500 in 1yx1A # T0375 read from 1yx1A/merged-good-all-a2m # 1yx1A read from 1yx1A/merged-good-all-a2m # adding 1yx1A to template set # found chain 1yx1A in template set Warning: unaligning (T0375)P160 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1yx1A)T159 Warning: unaligning (T0375)E161 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1yx1A)T159 T0375 47 :ILSLLGAPCAFMG 1yx1A 29 :LLAMAGAQRVELR T0375 60 :SMAPGHVADFVLDDLRRYSVDL 1yx1A 44 :LFAGPPDTEALTAAIQLQGLEC T0375 82 :RYTVFQTTGSVP 1yx1A 70 :PLELWREDGQLN T0375 107 :TILYYDRSLPDVSATDFEKVDLT 1yx1A 99 :LKVSLGLLPEQPDLAALGRRLAR T0375 130 :QFKWIHIEGRNASEQ 1yx1A 123 :GLQLLVENDQTPQGG T0375 145 :VKMLQRIDAHNTRQP 1yx1A 143 :ERFFRLAERQQLDLA T0375 162 :QKIRVSVEVEKPREELFQLF 1yx1A 160 :FDIGNWRWQEQAADEAALRL T0375 182 :GYGDVVFV 1yx1A 181 :RYVGYVHC T0375 190 :SKDVAKH 1yx1A 205 :SAADLQY T0375 206 :LRGLYGRVRKGAVLVCA 1yx1A 212 :WQRLLQHFPEGVARAIE Number of specific fragments extracted= 10 number of extra gaps= 1 total=1904 Number of alignments=121 # 1yx1A read from 1yx1A/merged-good-all-a2m # found chain 1yx1A in template set Warning: unaligning (T0375)P160 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1yx1A)T159 Warning: unaligning (T0375)E161 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1yx1A)T159 T0375 47 :ILSLLGAPCAFMG 1yx1A 29 :LLAMAGAQRVELR T0375 60 :SMAPGHVADFVLDDLRRYSVDL 1yx1A 44 :LFAGPPDTEALTAAIQLQGLEC T0375 82 :RYTVFQTTGSV 1yx1A 70 :PLELWREDGQL T0375 101 :EAS 1yx1A 81 :NPE T0375 105 :SRTILYYDRSLPDVSATDF 1yx1A 97 :GWLKVSLGLLPEQPDLAAL T0375 124 :EKVDLTQFKWIHIEGRNAS 1yx1A 117 :RRLARHGLQLLVENDQTPQ T0375 143 :EQVKMLQRIDAHNTRQP 1yx1A 141 :VLERFFRLAERQQLDLA T0375 162 :QKIRVSVEVEKPREELF 1yx1A 160 :FDIGNWRWQEQAADEAA T0375 179 :QLFGYGDVVFVS 1yx1A 178 :RLGRYVGYVHCK T0375 198 :GFQ 1yx1A 196 :DGK T0375 201 :SAEE 1yx1A 205 :SAAD T0375 206 :LRGLYGRVRK 1yx1A 209 :LQYWQRLLQH T0375 216 :GAVLVCAW 1yx1A 222 :GVARAIEY Number of specific fragments extracted= 13 number of extra gaps= 1 total=1917 Number of alignments=122 # 1yx1A read from 1yx1A/merged-good-all-a2m # found chain 1yx1A in template set Warning: unaligning (T0375)Q162 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1yx1A)T159 Warning: unaligning (T0375)K163 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1yx1A)T159 T0375 47 :ILSLLGAPCAFMG 1yx1A 29 :LLAMAGAQRVELR T0375 60 :SMAPGHVADFVLDDLRRYSVDLRYTVFQT 1yx1A 44 :LFAGPPDTEALTAAIQLQGLECVFSSPLE T0375 98 :IINEASGSR 1yx1A 73 :LWREDGQLN T0375 117 :DVSATDFEKVDLTQFKWIHIEGRNASE 1yx1A 82 :PELEPTLRRAEACGAGWLKVSLGLLPE T0375 144 :QVKMLQRIDAHNTRQPPE 1yx1A 140 :EVLERFFRLAERQQLDLA T0375 164 :IRVSVEVE 1yx1A 160 :FDIGNWRW T0375 172 :KPREELFQLFGYGDVVFVS 1yx1A 171 :AADEAALRLGRYVGYVHCK T0375 201 :SAEEALRGLYGRVRKGA 1yx1A 204 :PSAADLQYWQRLLQHFP T0375 218 :VLVCAW 1yx1A 224 :ARAIEY Number of specific fragments extracted= 9 number of extra gaps= 1 total=1926 Number of alignments=123 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1ub0A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1ub0A expands to /projects/compbio/data/pdb/1ub0.pdb.gz 1ub0A:Skipped atom 1460, because occupancy 0.350 <= existing 0.650 in 1ub0A # T0375 read from 1ub0A/merged-good-all-a2m # 1ub0A read from 1ub0A/merged-good-all-a2m # adding 1ub0A to template set # found chain 1ub0A in template set Warning: unaligning (T0375)V170 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ub0A)A116 T0375 3 :QILCVGL 1ub0A 3 :VALTIAG T0375 34 :RWQRGGNAS 1ub0A 10 :SDSGGGAGV T0375 68 :DFVLDDLRRYSVDLRYTVFQ 1ub0A 19 :QADLKVFFRFGVYGTSALTL T0375 96 :TVIIN 1ub0A 39 :VTAQN T0375 102 :ASGSRTILY 1ub0A 44 :TLGVQRVHL T0375 118 :VSAT 1ub0A 53 :LPPE T0375 122 :DFEKVDLT 1ub0A 61 :QIESVAQD T0375 130 :QFKWIHIEGRNASEQVKML 1ub0A 70 :PLHAAKTGALGDAAIVEAV T0375 149 :QRIDAHNTR 1ub0A 90 :EAVRRFGVR T0375 158 :QPPEQ 1ub0A 100 :LVVDP T0375 171 :EKPREELFQ 1ub0A 117 :KEAAAALKE T0375 180 :LFGYGDVVFVSKDVAKHL 1ub0A 127 :LFPLADLVTPNRLEAEAL T0375 198 :GF 1ub0A 146 :GR T0375 200 :QSAEEALRGLYGRV 1ub0A 153 :KEAEEAAKALLALG T0375 216 :GAVLVCAWAE 1ub0A 167 :PKAVLLKGGH T0375 228 :ADALG 1ub0A 184 :DLLAT T0375 234 :DGKLLHSDA 1ub0A 189 :RGGVLRFSA T0375 244 :PPPRVVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCGL 1ub0A 198 :PRVHTRNTHGTGCTLSAAIAALLAKGRPLAEAVAEAKAYLTRALKT Number of specific fragments extracted= 18 number of extra gaps= 0 total=1944 Number of alignments=124 # 1ub0A read from 1ub0A/merged-good-all-a2m # found chain 1ub0A in template set Warning: unaligning (T0375)V170 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ub0A)A116 Warning: unaligning (T0375)E226 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ub0A)E181 T0375 1 :GSQILCVGL 1ub0A 1 :MRVALTIAG T0375 34 :RWQRGGNAS 1ub0A 10 :SDSGGGAGV T0375 68 :DFVLDDLRRYSVDLRYTVF 1ub0A 19 :QADLKVFFRFGVYGTSALT T0375 96 :TVIINEASGSRTILYYDR 1ub0A 38 :LVTAQNTLGVQRVHLLPP T0375 120 :ATDFEKVDLT 1ub0A 59 :YAQIESVAQD T0375 130 :QFKWIHIEGRNA 1ub0A 70 :PLHAAKTGALGD T0375 142 :SEQVKMLQRIDAHNT 1ub0A 83 :AIVEAVAEAVRRFGV T0375 157 :RQPPEQ 1ub0A 99 :PLVVDP T0375 171 :EKPREELF 1ub0A 117 :KEAAAALK T0375 179 :QLFGYGDVVFVSKDVAKHL 1ub0A 126 :RLFPLADLVTPNRLEAEAL T0375 198 :GFQ 1ub0A 146 :GRP T0375 201 :SAEEALRGLYGRVRKGA 1ub0A 151 :TLKEAEEAAKALLALGP T0375 218 :VLVCAWAE 1ub0A 169 :AVLLKGGH T0375 228 :ADALGPD 1ub0A 184 :DLLATRG T0375 236 :KLLHSDAF 1ub0A 191 :GVLRFSAP T0375 245 :PPRVVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCGL 1ub0A 199 :RVHTRNTHGTGCTLSAAIAALLAKGRPLAEAVAEAKAYLTRALKT T0375 290 :Q 1ub0A 247 :L Number of specific fragments extracted= 17 number of extra gaps= 0 total=1961 Number of alignments=125 # 1ub0A read from 1ub0A/merged-good-all-a2m # found chain 1ub0A in template set Warning: unaligning (T0375)V166 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ub0A)A116 T0375 1 :GSQILCVGL 1ub0A 1 :MRVALTIAG T0375 34 :RWQRGGNASNSCT 1ub0A 10 :SDSGGGAGVQADL T0375 47 :ILSLLGAPCAFMGSM 1ub0A 24 :VFFRFGVYGTSALTL T0375 96 :TVIINEASGSRTIL 1ub0A 39 :VTAQNTLGVQRVHL T0375 111 :YD 1ub0A 53 :LP T0375 115 :LPDVSATDFEKVDLTQFKWIHIEG 1ub0A 55 :PEVVYAQIESVAQDFPLHAAKTGA T0375 140 :NASEQVKMLQRIDAHNTR 1ub0A 79 :LGDAAIVEAVAEAVRRFG T0375 158 :QPPEQKIR 1ub0A 98 :RPLVVDPV T0375 172 :KPREELFQLF 1ub0A 118 :EAAAALKERL T0375 182 :GYGDVVFVSKDVAKHLGFQ 1ub0A 129 :PLADLVTPNRLEAEALLGR T0375 202 :AEEALRGLYGRVRKGAVLVCAWA 1ub0A 153 :KEAEEAAKALLALGPKAVLLKGG T0375 226 :EGADALGPDG 1ub0A 182 :AVDLLATRGG T0375 238 :LHSDAFPPPRVVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGK 1ub0A 192 :VLRFSAPRVHTRNTHGTGCTLSAAIAALLAKGRPLAEAVAEAKAYLTR Number of specific fragments extracted= 13 number of extra gaps= 0 total=1974 Number of alignments=126 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1ekqA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0375 read from 1ekqA/merged-good-all-a2m # 1ekqA read from 1ekqA/merged-good-all-a2m # found chain 1ekqA in training set Warning: unaligning (T0375)G198 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ekqA)G147 Warning: unaligning (T0375)G255 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ekqA)L199 Warning: unaligning (T0375)T257 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ekqA)L199 T0375 41 :ASNSCTILSLL 1ekqA 6 :AAKCLTAVRRH T0375 54 :PCAFMGSMA 1ekqA 17 :SPLVHSITN T0375 64 :GHVADFVLDDLRRYSVDLRY 1ekqA 26 :NVVTNFTANGLLALGASPVM T0375 117 :DVSATDFEK 1ekqA 46 :AYAKEEVAD T0375 127 :DLTQFKWIHIE 1ekqA 55 :MAKIAGALVLN T0375 138 :GRNASEQ 1ekqA 67 :GTLSKES T0375 145 :VKMLQRIDAHNTRQPPEQ 1ekqA 78 :IIAGKSANEHGVPVILDP T0375 163 :KIRVS 1ekqA 97 :GAGAT T0375 171 :EKPREELFQLFGY 1ekqA 102 :PFRTESARDIIRE T0375 184 :GDVVFVSKDVAKHL 1ekqA 117 :LAAIRGNAAEIAHT T0375 200 :QSAEEALRGLYGRV 1ekqA 148 :GDIIRLAQQAAQKL T0375 215 :K 1ekqA 162 :N T0375 217 :AVLVCA 1ekqA 163 :TVIAIT T0375 225 :EEGADALG 1ekqA 169 :GEVDVIAD T0375 234 :DGKLLHSDAF 1ekqA 177 :TSHVYTLHNG T0375 245 :PPRVVDTLGA 1ekqA 187 :HKLLTKVTGA T0375 258 :FNASVIFSLSQGRSVQEALRFGCQVAGKKCG 1ekqA 200 :LTSVVGAFCAVEENPLFAAIAAISSYGVAAQ Number of specific fragments extracted= 17 number of extra gaps= 0 total=1991 Number of alignments=127 # 1ekqA read from 1ekqA/merged-good-all-a2m # found chain 1ekqA in training set Warning: unaligning (T0375)G198 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ekqA)G147 Warning: unaligning (T0375)G255 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ekqA)L199 Warning: unaligning (T0375)T257 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ekqA)L199 T0375 41 :ASNSCTILSL 1ekqA 6 :AAKCLTAVRR T0375 54 :PCAFMGSMAP 1ekqA 17 :SPLVHSITNN T0375 65 :HVADFVLDDLRRYSVDLRY 1ekqA 27 :VVTNFTANGLLALGASPVM T0375 117 :DVSATDFEK 1ekqA 46 :AYAKEEVAD T0375 127 :DLTQFKWIHIEGRNA 1ekqA 55 :MAKIAGALVLNIGTL T0375 142 :S 1ekqA 71 :K T0375 143 :EQVKMLQRIDAHNTRQPPEQ 1ekqA 76 :AMIIAGKSANEHGVPVILDP T0375 163 :KIRVS 1ekqA 97 :GAGAT T0375 171 :EKPREELFQLFGY 1ekqA 102 :PFRTESARDIIRE T0375 184 :GDVVFVSKDVAKHL 1ekqA 117 :LAAIRGNAAEIAHT T0375 203 :EEALRGLYGRVRK 1ekqA 148 :GDIIRLAQQAAQK T0375 216 :GAVLVCA 1ekqA 162 :NTVIAIT T0375 225 :EEGADALGPD 1ekqA 169 :GEVDVIADTS T0375 236 :KLLHSDAF 1ekqA 179 :HVYTLHNG T0375 245 :PPRVVDTLGA 1ekqA 187 :HKLLTKVTGA T0375 258 :FNASVIFSLSQGRSVQEALRFGCQVAGKKCG 1ekqA 200 :LTSVVGAFCAVEENPLFAAIAAISSYGVAAQ Number of specific fragments extracted= 16 number of extra gaps= 0 total=2007 Number of alignments=128 # 1ekqA read from 1ekqA/merged-good-all-a2m # found chain 1ekqA in training set Warning: unaligning (T0375)G198 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ekqA)G147 Warning: unaligning (T0375)F199 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ekqA)G147 Warning: unaligning (T0375)G255 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ekqA)L199 Warning: unaligning (T0375)T257 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ekqA)L199 T0375 41 :ASNSCTILSLLGAPCAFMG 1ekqA 6 :AAKCLTAVRRHSPLVHSIT T0375 63 :PGHVADFVLDDLRRYSVDLRYTVFQTT 1ekqA 25 :NNVVTNFTANGLLALGASPVMAYAKEE T0375 124 :EKVDLTQFKWIHIEGRNASE 1ekqA 52 :VADMAKIAGALVLNIGTLSK T0375 144 :QVKMLQRIDAHNTRQPPEQKIRVSVEVEKPREELFQLFGYG 1ekqA 75 :EAMIIAGKSANEHGVPVILDPVGAGATPFRTESARDIIREV T0375 185 :DVVFVSKDVAKHL 1ekqA 118 :AAIRGNAAEIAHT T0375 203 :EEALRGLYGRVR 1ekqA 148 :GDIIRLAQQAAQ T0375 215 :K 1ekqA 162 :N T0375 217 :AVLVCA 1ekqA 163 :TVIAIT T0375 225 :EEGADALGPDGK 1ekqA 169 :GEVDVIADTSHV T0375 238 :LHSDAFPP 1ekqA 181 :YTLHNGHK T0375 251 :TLGA 1ekqA 193 :VTGA T0375 258 :FNASVIFSLSQGRSVQEALRFGCQVAGKKCG 1ekqA 200 :LTSVVGAFCAVEENPLFAAIAAISSYGVAAQ Number of specific fragments extracted= 12 number of extra gaps= 1 total=2019 Number of alignments=129 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1gc5A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1gc5A expands to /projects/compbio/data/pdb/1gc5.pdb.gz 1gc5A:# T0375 read from 1gc5A/merged-good-all-a2m # 1gc5A read from 1gc5A/merged-good-all-a2m # adding 1gc5A to template set # found chain 1gc5A in template set Warning: unaligning (T0375)V7 because of BadResidue code BAD_PEPTIDE in next template residue (1gc5A)Y37 Warning: unaligning (T0375)G8 because of BadResidue code BAD_PEPTIDE at template residue (1gc5A)Y37 T0375 2 :SQILC 1gc5A 31 :KGVLL T0375 9 :LVVLDVISLVD 1gc5A 38 :NTNIDAIKYLD T0375 31 :LSQRWQRGGNASNSCTILSLL 1gc5A 112 :GWDELRIGGQAGIMANLLGGV T0375 52 :GAPCAFMGSMAPGHVA 1gc5A 134 :RIPTIVHVPQNPKLQA T0375 76 :RYSV 1gc5A 150 :ELFV T0375 80 :DLRYTVFQTTG 1gc5A 156 :PIYVPVFEGNK T0375 91 :SVPIATVIINE 1gc5A 181 :ELIHYIYEFPR T0375 102 :ASGSRTILYYDR 1gc5A 200 :APRENRFIANAD T0375 114 :SLPDVS 1gc5A 213 :YNARVY T0375 120 :ATDFE 1gc5A 220 :RREFR T0375 125 :KVDLTQFKWIHIEG 1gc5A 228 :EEITRNVELAIISG T0375 139 :RNASEQ 1gc5A 253 :TTYKDV T0375 145 :VKMLQRIDAHNTRQPPEQ 1gc5A 263 :ESHLNILNRYNVKSHFEF T0375 166 :VSVEVEKPREELFQLFGYGDVVFVSKDVA 1gc5A 281 :AYTANRRVREALVELLPKFTSVGLNEVEL T0375 195 :KHLGF 1gc5A 314 :EIIGD T0375 200 :QSAE 1gc5A 328 :GHIF T0375 204 :EALRGLYGRV 1gc5A 335 :DAMNVLMDET T0375 215 :KGAVLVCA 1gc5A 345 :GIERIHFH T0375 224 :AEEGADALGP 1gc5A 353 :TYGYYLALTQ T0375 234 :DGKLLHSDAFPPPRVVDTLGAGDTFNASVIFSLS 1gc5A 429 :DRQLAFVPTKIVASPKSTVGIGDTISSSAFVSEF Number of specific fragments extracted= 20 number of extra gaps= 1 total=2039 Number of alignments=130 # 1gc5A read from 1gc5A/merged-good-all-a2m # found chain 1gc5A in template set Warning: unaligning (T0375)V7 because of BadResidue code BAD_PEPTIDE in next template residue (1gc5A)Y37 Warning: unaligning (T0375)G8 because of BadResidue code BAD_PEPTIDE at template residue (1gc5A)Y37 T0375 2 :SQILC 1gc5A 31 :KGVLL T0375 9 :LVVLDVISLVDK 1gc5A 38 :NTNIDAIKYLDA T0375 38 :GGNASNSCTILSLL 1gc5A 119 :GGQAGIMANLLGGV T0375 52 :GAPCAFMGSMAPGH 1gc5A 134 :RIPTIVHVPQNPKL T0375 74 :LRRYSVD 1gc5A 148 :QAELFVD T0375 81 :LRYTVFQTTGSVP 1gc5A 157 :IYVPVFEGNKLKL T0375 94 :IATVII 1gc5A 184 :HYIYEF T0375 102 :ASGSRTILYYDRSLPDVS 1gc5A 201 :PRENRFIANADDYNARVY T0375 121 :TDFEKVD 1gc5A 221 :REFREGF T0375 128 :LTQFKWIHIEG 1gc5A 231 :TRNVELAIISG T0375 139 :RNAS 1gc5A 248 :YYPD T0375 143 :EQVKMLQRIDAHNTRQPPEQ 1gc5A 261 :RVESHLNILNRYNVKSHFEF T0375 166 :VSVEVEKPREELFQLFGYGDVVFVSKDVA 1gc5A 281 :AYTANRRVREALVELLPKFTSVGLNEVEL T0375 195 :KHLGFQ 1gc5A 314 :EIIGDE T0375 201 :SAEEALRGLYGRVRK 1gc5A 329 :HIFSVIDAMNVLMDE T0375 216 :GAVLVCAWAEEGADALGP 1gc5A 345 :GIERIHFHTYGYYLALTQ T0375 234 :DGKLLHSDAFPPPRVVDTLGAGDTFNASVIFSLS 1gc5A 429 :DRQLAFVPTKIVASPKSTVGIGDTISSSAFVSEF Number of specific fragments extracted= 17 number of extra gaps= 1 total=2056 Number of alignments=131 # 1gc5A read from 1gc5A/merged-good-all-a2m # found chain 1gc5A in template set Warning: unaligning (T0375)V7 because of BadResidue code BAD_PEPTIDE in next template residue (1gc5A)Y37 Warning: unaligning (T0375)G8 because of BadResidue code BAD_PEPTIDE at template residue (1gc5A)Y37 T0375 2 :SQILC 1gc5A 31 :KGVLL T0375 9 :LVVLDVISLVD 1gc5A 38 :NTNIDAIKYLD T0375 37 :RGGNASNSCTILSLL 1gc5A 118 :IGGQAGIMANLLGGV T0375 52 :GAPCAFMGSMAPGH 1gc5A 134 :RIPTIVHVPQNPKL T0375 74 :LRRYSV 1gc5A 148 :QAELFV T0375 80 :DLRYTVFQTTGS 1gc5A 156 :PIYVPVFEGNKL T0375 92 :VPIATVIINEA 1gc5A 182 :LIHYIYEFPRG T0375 103 :SGSRTILYYDR 1gc5A 202 :RENRFIANADD T0375 114 :SLPDVSATDF 1gc5A 214 :NARVYMRREF T0375 124 :EKVDLTQFKWIHIEGRNASE 1gc5A 227 :FEEITRNVELAIISGLQVLK T0375 144 :QVKMLQRIDAHNTRQPPEQKIRVS 1gc5A 260 :DRVESHLNILNRYNVKSHFEFAYT T0375 169 :EVEKPREELFQLFGYGDVVFVSKDVAKHLGFQ 1gc5A 284 :ANRRVREALVELLPKFTSVGLNEVELASIMEI T0375 205 :ALRGLYGRVRKGAVLVCA 1gc5A 335 :DAMNVLMDETGIERIHFH T0375 224 :AEEGADALGPDG 1gc5A 353 :TYGYYLALTQYR T0375 237 :LLHSDAFPPPRVVDTLGAGDTFNASVIFSLS 1gc5A 432 :LAFVPTKIVASPKSTVGIGDTISSSAFVSEF Number of specific fragments extracted= 15 number of extra gaps= 1 total=2071 Number of alignments=132 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2gbp/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2gbp expands to /projects/compbio/data/pdb/2gbp.pdb.gz 2gbp:Warning: there is no chain 2gbp will retry with 2gbpA # T0375 read from 2gbp/merged-good-all-a2m # 2gbp read from 2gbp/merged-good-all-a2m # adding 2gbp to template set # found chain 2gbp in template set Warning: unaligning (T0375)P63 because of BadResidue code BAD_PEPTIDE at template residue (2gbp)D13 Warning: unaligning (T0375)Q290 because of BadResidue code BAD_PEPTIDE in next template residue (2gbp)G277 Warning: unaligning (T0375)G291 because of BadResidue code BAD_PEPTIDE at template residue (2gbp)G277 T0375 56 :AFMGSMA 2gbp 5 :IGVTIYK T0375 64 :GHVADFVLDDLRRY 2gbp 14 :DNFMSVVRKAIEQD T0375 78 :S 2gbp 33 :D T0375 81 :LRYTVFQT 2gbp 34 :VQLLMNDS T0375 103 :SGS 2gbp 42 :QND T0375 120 :ATDFEKVDLTQFKWIHIEGRNASEQVKMLQRIDAHNTRQPPEQK 2gbp 49 :NDQIDVLLAKGVKALAINLVDPAAAGTVIEKARGQNVPVVFFNK T0375 172 :KPREELFQLFGYGDVVFV 2gbp 93 :EPSRKALDSYDKAYYVGT T0375 201 :SAEEALRGLYGR 2gbp 111 :DSKESGIIQGDL T0375 214 :RKGAVLVCAWAEE 2gbp 139 :GQIQFVLLKGEPG T0375 244 :PPPRVVDTL 2gbp 202 :NKIEVVIAN T0375 255 :GDTFNASVIFSL 2gbp 211 :NDAMAMGAVEAL T0375 267 :SQG 2gbp 224 :AHN T0375 270 :RSVQEALRFGCQVAGKKCGL 2gbp 256 :NDANNQAKATFDLAKNLADG T0375 292 :FD 2gbp 278 :AA T0375 294 :G 2gbp 281 :G Number of specific fragments extracted= 15 number of extra gaps= 2 total=2086 Number of alignments=133 # 2gbp read from 2gbp/merged-good-all-a2m # found chain 2gbp in template set Warning: unaligning (T0375)A62 because of BadResidue code BAD_PEPTIDE in next template residue (2gbp)D13 Warning: unaligning (T0375)P63 because of BadResidue code BAD_PEPTIDE at template residue (2gbp)D13 Warning: unaligning (T0375)D192 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (2gbp)E165 Warning: unaligning (T0375)V193 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (2gbp)E165 Warning: unaligning (T0375)Q290 because of BadResidue code BAD_PEPTIDE in next template residue (2gbp)G277 Warning: unaligning (T0375)G291 because of BadResidue code BAD_PEPTIDE at template residue (2gbp)G277 T0375 54 :PCAFMGSM 2gbp 4 :RIGVTIYK T0375 64 :GHVADFVLDDLRRY 2gbp 14 :DNFMSVVRKAIEQD T0375 78 :S 2gbp 33 :D T0375 81 :LRYTVFQTT 2gbp 34 :VQLLMNDSQ T0375 104 :GS 2gbp 43 :ND T0375 120 :ATDFEKVDLTQFKWIHIEGRNASEQVKMLQRIDAHNTRQPPEQ 2gbp 49 :NDQIDVLLAKGVKALAINLVDPAAAGTVIEKARGQNVPVVFFN T0375 171 :EKPREELFQLF 2gbp 113 :KESGIIQGDLI T0375 184 :GDVVFVS 2gbp 141 :IQFVLLK T0375 191 :K 2gbp 163 :I T0375 194 :AKHLGFQ 2gbp 166 :LNDKGIK T0375 201 :SAEEALRGLYGRVR 2gbp 184 :DTAQAKDKMDAWLS T0375 216 :GAVLVCAWA 2gbp 203 :KIEVVIANN T0375 256 :DTFNASVIFSL 2gbp 212 :DAMAMGAVEAL T0375 267 :SQGR 2gbp 246 :KSGA T0375 271 :SVQEALRFGCQVAGKKCGL 2gbp 257 :DANNQAKATFDLAKNLADG T0375 292 :FDGI 2gbp 278 :AADG Number of specific fragments extracted= 16 number of extra gaps= 3 total=2102 Number of alignments=134 # 2gbp read from 2gbp/merged-good-all-a2m # found chain 2gbp in template set Warning: unaligning (T0375)A62 because of BadResidue code BAD_PEPTIDE in next template residue (2gbp)D13 Warning: unaligning (T0375)P63 because of BadResidue code BAD_PEPTIDE at template residue (2gbp)D13 Warning: unaligning (T0375)Q290 because of BadResidue code BAD_PEPTIDE in next template residue (2gbp)G277 Warning: unaligning (T0375)G291 because of BadResidue code BAD_PEPTIDE at template residue (2gbp)G277 T0375 54 :PCAFMGSM 2gbp 4 :RIGVTIYK T0375 64 :GHVADFVLDDLRRY 2gbp 14 :DNFMSVVRKAIEQD T0375 78 :SVDLRYTVFQTT 2gbp 33 :DVQLLMNDSQND T0375 116 :PDVSATDFEKVDLTQFKWIHIEGRNA 2gbp 45 :QSKQNDQIDVLLAKGVKALAINLVDP T0375 144 :QVKMLQRIDAHNTRQPPEQKIRVS 2gbp 71 :AAAGTVIEKARGQNVPVVFFNKEP T0375 174 :REELFQLFGYGDVVFVSKDVAKHLGFQ 2gbp 95 :SRKALDSYDKAYYVGTDSKESGIIQGD T0375 201 :SAEEALRGLYGRVR 2gbp 184 :DTAQAKDKMDAWLS T0375 215 :KGAVLVCA 2gbp 203 :KIEVVIAN T0375 255 :GDTFNASVIFSL 2gbp 211 :NDAMAMGAVEAL T0375 269 :G 2gbp 248 :G T0375 270 :RSVQEALRFGCQVAGKKCGL 2gbp 256 :NDANNQAKATFDLAKNLADG T0375 292 :F 2gbp 278 :A Number of specific fragments extracted= 12 number of extra gaps= 2 total=2114 Number of alignments=135 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1v1aA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1v1aA expands to /projects/compbio/data/pdb/1v1a.pdb.gz 1v1aA:# T0375 read from 1v1aA/merged-good-all-a2m # 1v1aA read from 1v1aA/merged-good-all-a2m # adding 1v1aA to template set # found chain 1v1aA in template set T0375 2 :SQILCVGLVVLDVISL 1v1aA 2 :LEVVTAGEPLVALVPQ T0375 23 :KEDSEIRCLSQRWQRGGNASNSCTILSLLGAPCAFMGSMAPGHVADFVLDDLRRYSVDLRYTVFQTT 1v1aA 18 :EPGHLRGKRLLEVYVGGAEVNVAVALARLGVKVGFVGRVGEDELGAMVEERLRAEGVDLTHFRRAPG T0375 91 :SVPIATVIINEASGSRTILYYDR 1v1aA 85 :FTGLYLREYLPLGQGRVFYYRKG T0375 114 :SLPDVSATDFEKVDLTQFKWIHIEGR 1v1aA 109 :AGSALAPGAFDPDYLEGVRFLHLSGI T0375 140 :NASEQ 1v1aA 138 :LSPEA T0375 145 :VKMLQRIDAHNTRQPPEQKIRVSVEV 1v1aA 147 :LWAMEEAKRRGVRVSLDVNYRQTLWS T0375 171 :EKPREELFQLFGYGDVVFVSKDVAKHL 1v1aA 174 :EEARGFLERALPGVDLLFLSEEEAELL T0375 200 :QSAEEALRGL 1v1aA 202 :GRVEEALRAL T0375 215 :KGAVLVCAWAEEGADALG 1v1aA 212 :SAPEVVLKRGAKGAWAFV T0375 234 :DGKLLHSDAF 1v1aA 230 :DGRRVEGSAF T0375 245 :PPRVVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCGLQGF 1v1aA 240 :AVEAVDPVGAGDAFAAGYLAGAVWGLPVEERLRLANLLGASVAASRGD Number of specific fragments extracted= 11 number of extra gaps= 0 total=2125 Number of alignments=136 # 1v1aA read from 1v1aA/merged-good-all-a2m # found chain 1v1aA in template set T0375 1 :GSQILCVGLVVLDVISLVDKYPKE 1v1aA 1 :MLEVVTAGEPLVALVPQEPGHLRG T0375 30 :CLSQRWQRGGNASNSCTILSLLGAPCAFMGSMAPGHVADFVLDDLRRYSVDLRYTVFQTT 1v1aA 25 :KRLLEVYVGGAEVNVAVALARLGVKVGFVGRVGEDELGAMVEERLRAEGVDLTHFRRAPG T0375 91 :SVPIATVIINEASGSRTILYYDR 1v1aA 85 :FTGLYLREYLPLGQGRVFYYRKG T0375 114 :SLPDVSATDFEKVDLTQFKWIHIEGRNAS 1v1aA 109 :AGSALAPGAFDPDYLEGVRFLHLSGITPA T0375 143 :EQVKMLQRIDAHNTRQPPEQKIRVSVEV 1v1aA 145 :FSLWAMEEAKRRGVRVSLDVNYRQTLWS T0375 171 :EKPREELFQLFGYGDVVFVSKDVAKHL 1v1aA 174 :EEARGFLERALPGVDLLFLSEEEAELL T0375 198 :G 1v1aA 202 :G T0375 201 :SAEEALRGL 1v1aA 203 :RVEEALRAL T0375 216 :GA 1v1aA 212 :SA T0375 218 :VLVCAWAEEGADALGPD 1v1aA 215 :EVVLKRGAKGAWAFVDG T0375 236 :KLLHSDAF 1v1aA 232 :RRVEGSAF T0375 245 :PPRVVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCGLQGFD 1v1aA 240 :AVEAVDPVGAGDAFAAGYLAGAVWGLPVEERLRLANLLGASVAASRGDH Number of specific fragments extracted= 12 number of extra gaps= 0 total=2137 Number of alignments=137 # 1v1aA read from 1v1aA/merged-good-all-a2m # found chain 1v1aA in template set T0375 1 :GSQILCVGLVVLDVISLVDKYP 1v1aA 1 :MLEVVTAGEPLVALVPQEPGHL T0375 24 :ED 1v1aA 23 :RG T0375 30 :CLSQRWQRGGNASNSCTILSLLGAPCAFMGSMAPGHVADFVLDDLRRYSVDLRYTVFQTT 1v1aA 25 :KRLLEVYVGGAEVNVAVALARLGVKVGFVGRVGEDELGAMVEERLRAEGVDLTHFRRAPG T0375 91 :SVPIATVIINEASGSRTILYYDR 1v1aA 85 :FTGLYLREYLPLGQGRVFYYRKG T0375 114 :SLPDVSATDFEKVDLTQFKWIHIEGRNASE 1v1aA 109 :AGSALAPGAFDPDYLEGVRFLHLSGITPAL T0375 144 :QVKMLQRIDAHNTRQPPEQKIRVSVEVE 1v1aA 144 :AFSLWAMEEAKRRGVRVSLDVNYRQTLW T0375 172 :KPREELFQLFGYGDVVFVSKDVAKHLGFQ 1v1aA 175 :EARGFLERALPGVDLLFLSEEEAELLFGR T0375 208 :GLYGRVRKGAVLVCAWAEEGADALGPDG 1v1aA 205 :EEALRALSAPEVVLKRGAKGAWAFVDGR T0375 238 :LHSDAFPPPRVVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCGLQGF 1v1aA 233 :RVEGSAFAVEAVDPVGAGDAFAAGYLAGAVWGLPVEERLRLANLLGASVAASRGD Number of specific fragments extracted= 9 number of extra gaps= 0 total=2146 Number of alignments=138 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1l2lA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1l2lA expands to /projects/compbio/data/pdb/1l2l.pdb.gz 1l2lA:# T0375 read from 1l2lA/merged-good-all-a2m # 1l2lA read from 1l2lA/merged-good-all-a2m # adding 1l2lA to template set # found chain 1l2lA in template set Warning: unaligning (T0375)Q87 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1l2lA)R163 Warning: unaligning (T0375)S91 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1l2lA)E175 Warning: unaligning (T0375)F243 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1l2lA)G440 Warning: unaligning (T0375)G253 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1l2lA)G440 T0375 3 :QILCVGLVVLDVISL 1l2lA 27 :GVLLAYNTNIDAIKY T0375 28 :I 1l2lA 42 :L T0375 30 :CLSQRWQRGGNASNSCTILSLL 1l2lA 106 :WGWDELRMGGQVGIMANLLGGV T0375 52 :GAPCAFMGSMAPGHVA 1l2lA 129 :GIPVIAHVPQLSELQA T0375 76 :RYSVDLRYTVF 1l2lA 145 :SLFLDGPIYVP T0375 92 :VPIATVIINE 1l2lA 176 :DCIHYIYEFP T0375 103 :SG 1l2lA 186 :RN T0375 105 :SRTILYYDR 1l2lA 199 :NRFIGAADD T0375 114 :SLPDVSATDFE 1l2lA 210 :PILYVREEWIE T0375 127 :D 1l2lA 223 :E T0375 128 :LTQFKWIHIEGRNA 1l2lA 226 :AKRSELAIISGLHP T0375 142 :SE 1l2lA 247 :KP T0375 145 :VKMLQRIDAHNTRQPPEQ 1l2lA 253 :REHLKILNDLGIRAHLEF T0375 166 :VSVEVEKPREELFQLFGYGDVVFVSKDVAKH 1l2lA 271 :AFTPDEVVRLEIVKLLKHFYSVGLNEVELAS T0375 198 :GF 1l2lA 307 :GE T0375 200 :QSAE 1l2lA 321 :ADPI T0375 204 :EALRGLYGRV 1l2lA 328 :EGLLKLIKET T0375 215 :KGAVLVCAW 1l2lA 338 :GVKRIHFHT T0375 226 :EGADALG 1l2lA 347 :YGYYLAL T0375 234 :DGKLLHSDA 1l2lA 421 :DYQLTFIPT T0375 254 :AGDTFNASVIFSLS 1l2lA 441 :IGDTISSSAFVSEF Number of specific fragments extracted= 21 number of extra gaps= 0 total=2167 Number of alignments=139 # 1l2lA read from 1l2lA/merged-good-all-a2m # found chain 1l2lA in template set Warning: unaligning (T0375)Q87 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1l2lA)R163 Warning: unaligning (T0375)S91 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1l2lA)E175 Warning: unaligning (T0375)F243 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1l2lA)G440 Warning: unaligning (T0375)G253 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1l2lA)G440 T0375 4 :ILCVGLVVLDVISLVDK 1l2lA 28 :VLLAYNTNIDAIKYLKR T0375 38 :GGNASNSCTILSLL 1l2lA 114 :GGQVGIMANLLGGV T0375 52 :GAPCAFMGSMAPG 1l2lA 129 :GIPVIAHVPQLSE T0375 73 :DLRRYSVDLRYTVF 1l2lA 142 :LQASLFLDGPIYVP T0375 92 :VPIATVIINEAS 1l2lA 176 :DCIHYIYEFPRN T0375 104 :G 1l2lA 197 :R T0375 105 :SRTILYYDR 1l2lA 199 :NRFIGAADD T0375 114 :SLPDVSATDFEKVD 1l2lA 210 :PILYVREEWIERFE T0375 128 :LTQFKWIHIEGRNA 1l2lA 226 :AKRSELAIISGLHP T0375 142 :S 1l2lA 243 :E T0375 143 :EQVKMLQRIDAHNTRQPPEQ 1l2lA 251 :LVREHLKILNDLGIRAHLEF T0375 166 :VSVEVEKPREELFQLFGYGDVVFVSKDVAKH 1l2lA 271 :AFTPDEVVRLEIVKLLKHFYSVGLNEVELAS T0375 197 :L 1l2lA 305 :V T0375 198 :GFQ 1l2lA 307 :GEK T0375 201 :SAEEALRGLYGRVRK 1l2lA 322 :DPIAVIEGLLKLIKE T0375 216 :GAVLVCAWAEEGADALGP 1l2lA 338 :GVKRIHFHTYGYYLALTR T0375 234 :DGKLLHSDA 1l2lA 421 :DYQLTFIPT T0375 254 :AGDTFNASVIFSLS 1l2lA 441 :IGDTISSSAFVSEF Number of specific fragments extracted= 18 number of extra gaps= 0 total=2185 Number of alignments=140 # 1l2lA read from 1l2lA/merged-good-all-a2m # found chain 1l2lA in template set Warning: unaligning (T0375)Q87 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1l2lA)R163 Warning: unaligning (T0375)G90 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1l2lA)E175 Warning: unaligning (T0375)F243 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1l2lA)G440 Warning: unaligning (T0375)G253 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1l2lA)G440 T0375 2 :SQILCVGLVVLDVISLVDK 1l2lA 26 :RGVLLAYNTNIDAIKYLKR T0375 37 :RGGNASNSCTILSLL 1l2lA 113 :MGGQVGIMANLLGGV T0375 52 :GAPCAFMGSMAPGH 1l2lA 129 :GIPVIAHVPQLSEL T0375 74 :LRRYSVDLRYTVF 1l2lA 143 :QASLFLDGPIYVP T0375 91 :SVPIATVIINEA 1l2lA 176 :DCIHYIYEFPRN T0375 103 :SGSRTILYYDR 1l2lA 197 :RENRFIGAADD T0375 114 :SLPDVSATDF 1l2lA 209 :NPILYVREEW T0375 124 :EKVDLTQFKWIHIEGRNASE 1l2lA 222 :FEEIAKRSELAIISGLHPLT T0375 144 :QVKMLQRIDAHNTRQPPEQKIRVS 1l2lA 250 :KLVREHLKILNDLGIRAHLEFAFT T0375 169 :EVEKPREELFQLFGYGDVVFVSKDVAKHLGFQ 1l2lA 274 :PDEVVRLEIVKLLKHFYSVGLNEVELASVVSV T0375 205 :ALRGLYGRVRKGAVLVCA 1l2lA 328 :EGLLKLIKETGVKRIHFH T0375 224 :AEEGADALGPDG 1l2lA 346 :TYGYYLALTREK T0375 236 :KLLHSDA 1l2lA 423 :QLTFIPT T0375 254 :AGDTFNASVIFSLS 1l2lA 441 :IGDTISSSAFVSEF Number of specific fragments extracted= 14 number of extra gaps= 0 total=2199 Number of alignments=141 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1rcuA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1rcuA expands to /projects/compbio/data/pdb/1rcu.pdb.gz 1rcuA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # T0375 read from 1rcuA/merged-good-all-a2m # 1rcuA read from 1rcuA/merged-good-all-a2m # adding 1rcuA to template set # found chain 1rcuA in template set T0375 1 :GSQILCVG 1rcuA 1 :MKKVVVVG T0375 18 :VDKYPKED 1rcuA 10 :SGPVNKSP T0375 30 :CLSQR 1rcuA 18 :VSELR T0375 40 :NASNSCTILSLLGAPCA 1rcuA 24 :ICLELGRTLAKKGYLVF T0375 60 :SMAPGHVADFVLDDLRRYSVDLRYTVFQTTGSV 1rcuA 41 :NGGRDGVMELVSQGVREAGGTVVGILPDEEAGN T0375 103 :SGSRTILYY 1rcuA 74 :PYLSVAVKT T0375 119 :SATDFE 1rcuA 83 :GLDFQM T0375 125 :KVDLTQFKWIHIEG 1rcuA 91 :FVLLRNADVVVSIG T0375 140 :NASEQVKMLQRIDAHNTRQPPEQ 1rcuA 105 :GEIGTAIEILGAYALGKPVILLR T0375 163 :KIRVSVEVE 1rcuA 135 :RISQVLIDG T0375 182 :GY 1rcuA 144 :KY T0375 197 :L 1rcuA 146 :L T0375 198 :GF 1rcuA 148 :NR T0375 200 :QSAEEALRGLYG 1rcuA 158 :WTVEEAVQIIEQ Number of specific fragments extracted= 14 number of extra gaps= 0 total=2213 Number of alignments=142 # 1rcuA read from 1rcuA/merged-good-all-a2m # found chain 1rcuA in template set T0375 1 :GSQILCVG 1rcuA 1 :MKKVVVVG T0375 18 :VDKYPKEDSE 1rcuA 10 :SGPVNKSPVS T0375 41 :ASNSCTILSLLGAPCAF 1rcuA 25 :CLELGRTLAKKGYLVFN T0375 61 :MAPGHVADFVLDDLRRYSVDLRYTVFQTTG 1rcuA 42 :GGRDGVMELVSQGVREAGGTVVGILPDEEA T0375 114 :SLPDV 1rcuA 72 :GNPYL T0375 119 :SATDFEKVD 1rcuA 83 :GLDFQMRSF T0375 128 :LTQFKWIHIEGRNA 1rcuA 94 :LRNADVVVSIGGEI T0375 143 :EQVKMLQRIDAHNTRQPPEQ 1rcuA 108 :GTAIEILGAYALGKPVILLR T0375 163 :KIRVSVEVEKP 1rcuA 135 :RISQVLIDGKY T0375 197 :L 1rcuA 146 :L T0375 198 :GFQ 1rcuA 148 :NRR T0375 201 :SAEEALRGLYG 1rcuA 159 :TVEEAVQIIEQ Number of specific fragments extracted= 12 number of extra gaps= 0 total=2225 Number of alignments=143 # 1rcuA read from 1rcuA/merged-good-all-a2m # found chain 1rcuA in template set T0375 1 :GSQILCVG 1rcuA 1 :MKKVVVVG T0375 17 :LVDKYPKED 1rcuA 9 :YSGPVNKSP T0375 30 :CLSQ 1rcuA 18 :VSEL T0375 40 :NASNSCTILSLLGAPCAF 1rcuA 24 :ICLELGRTLAKKGYLVFN T0375 61 :MAPGHVADFVLDDLRRYSVDLRYTVFQTTGSV 1rcuA 42 :GGRDGVMELVSQGVREAGGTVVGILPDEEAGN T0375 101 :EA 1rcuA 74 :PY T0375 105 :SRTILYY 1rcuA 76 :LSVAVKT T0375 117 :DVSATDFEKVDLTQFKWIHIEGRN 1rcuA 83 :GLDFQMRSFVLLRNADVVVSIGGE T0375 144 :QVKMLQRIDAHNTRQPPEQKIRVSVEVE 1rcuA 107 :IGTAIEILGAYALGKPVILLRGTGGWTD T0375 172 :KPREELFQLFGY 1rcuA 158 :WTVEEAVQIIEQ Number of specific fragments extracted= 10 number of extra gaps= 0 total=2235 Number of alignments=144 # command:Warning: Couldn't open file /projects/compbio/experiments/protein-predict/casp7/T0375//projects/compbio/experiments/protein-predict/casp7/T0375/align.constraints_v3.costfcn or /projects/compbio/experiments/protein-predict/casp7/T0375//projects/compbio/experiments/protein-predict/casp7/T0375/align.constraints_v3.costfcn.gz for input Trying /projects/compbio/experiments/protein-predict/casp7/T0375/align.constraints_v3.costfcn # reading script from file /projects/compbio/experiments/protein-predict/casp7/T0375/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((T0375)I134.CB, (T0375)Q158.CB) [> 3.3238 = 5.5396 < 7.2014] w=1.0000 to align # Constraint # added constraint: constraint((T0375)I134.CB, (T0375)P159.CB) [> 4.1343 = 6.8905 < 8.9577] w=0.9868 to align # Constraint # added constraint: constraint((T0375)I136.CB, (T0375)P160.CB) [> 3.5153 = 5.8589 < 7.6165] w=0.9484 to align # Constraint # added constraint: constraint((T0375)W133.CB, (T0375)P159.CB) [> 3.6504 = 6.0839 < 7.9091] w=0.9483 to align # Constraint # added constraint: constraint((T0375)I136.CB, (T0375)E161.CB) [> 4.1829 = 6.9716 < 9.0631] w=0.9402 to align # Constraint # added constraint: constraint((T0375)H135.CB, (T0375)E161.CB) [> 3.8283 = 6.3805 < 8.2947] w=0.9195 to align # Constraint # added constraint: constraint((T0375)W133.CB, (T0375)Q158.CB) [> 4.1385 = 6.8975 < 8.9667] w=0.8882 to align # Constraint # added constraint: constraint((T0375)P159.CB, (T0375)D185.CB) [> 3.5368 = 5.8947 < 7.6631] w=0.8646 to align # Constraint # added constraint: constraint((T0375)P160.CB, (T0375)G184.CA) [> 3.3457 = 5.5761 < 7.2490] w=0.8572 to align # Constraint # added constraint: constraint((T0375)H135.CB, (T0375)P160.CB) [> 4.4061 = 7.3436 < 9.5467] w=0.8221 to align # Constraint # added constraint: constraint((T0375)P160.CB, (T0375)V186.CB) [> 4.2557 = 7.0928 < 9.2206] w=0.8197 to align # Constraint # added constraint: constraint((T0375)E161.CB, (T0375)F188.CB) [> 3.4233 = 5.7055 < 7.4171] w=0.8068 to align # Constraint # added constraint: constraint((T0375)P159.CB, (T0375)V186.CB) [> 3.1968 = 5.3280 < 6.9264] w=0.8012 to align # Constraint # added constraint: constraint((T0375)Q162.CB, (T0375)V187.CB) [> 3.7265 = 6.2109 < 8.0741] w=0.7816 to align # Constraint # added constraint: constraint((T0375)F57.CB, (T0375)L81.CB) [> 3.4761 = 5.7935 < 7.5315] w=0.7759 to align # Constraint # added constraint: constraint((T0375)V187.CB, (T0375)V220.CB) [> 4.2340 = 7.0567 < 9.1737] w=0.7725 to align # Constraint # added constraint: constraint((T0375)V186.CB, (T0375)V220.CB) [> 4.0204 = 6.7007 < 8.7109] w=0.7644 to align # Constraint # added constraint: constraint((T0375)I4.CB, (T0375)I134.CB) [> 4.3158 = 7.1931 < 9.3510] w=0.7627 to align # Constraint # added constraint: constraint((T0375)V187.CB, (T0375)L219.CB) [> 3.2206 = 5.3677 < 6.9780] w=0.7555 to align # Constraint # added constraint: constraint((T0375)C6.CB, (T0375)H135.CB) [> 2.9398 = 4.8996 < 6.3695] w=0.7547 to align # Constraint # added constraint: constraint((T0375)I4.CB, (T0375)H135.CB) [> 3.8976 = 6.4959 < 8.4447] w=0.7547 to align # Constraint # added constraint: constraint((T0375)L5.CB, (T0375)I134.CB) [> 2.8610 = 4.7683 < 6.1988] w=0.7546 to align # Constraint # added constraint: constraint((T0375)I4.CB, (T0375)C55.CB) [> 3.1628 = 5.2713 < 6.8527] w=0.7506 to align # Constraint # added constraint: constraint((T0375)L5.CB, (T0375)H135.CB) [> 4.2713 = 7.1189 < 9.2546] w=0.7466 to align # Constraint # added constraint: constraint((T0375)I4.CB, (T0375)W133.CB) [> 2.7989 = 4.6649 < 6.0643] w=0.7466 to align # Constraint # added constraint: constraint((T0375)P159.CB, (T0375)G184.CA) [> 4.2800 = 7.1333 < 9.2733] w=0.7436 to align # Constraint # added constraint: constraint((T0375)C6.CB, (T0375)F57.CB) [> 3.1029 = 5.1715 < 6.7230] w=0.7417 to align # Constraint # added constraint: constraint((T0375)V186.CB, (T0375)V218.CB) [> 2.8491 = 4.7485 < 6.1730] w=0.7399 to align # Constraint # added constraint: constraint((T0375)L5.CB, (T0375)W133.CB) [> 4.3148 = 7.1913 < 9.3487] w=0.7385 to align # Constraint # added constraint: constraint((T0375)C6.CB, (T0375)A56.CB) [> 4.2090 = 7.0150 < 9.1195] w=0.7384 to align # Constraint # added constraint: constraint((T0375)V189.CB, (T0375)C221.CB) [> 3.6795 = 6.1324 < 7.9721] w=0.7374 to align # Constraint # added constraint: constraint((T0375)F188.CB, (T0375)A222.CB) [> 3.9320 = 6.5534 < 8.5194] w=0.7362 to align # Constraint # added constraint: constraint((T0375)F188.CB, (T0375)V220.CB) [> 2.7783 = 4.6305 < 6.0196] w=0.7339 to align # Constraint # added constraint: constraint((T0375)D229.CB, (T0375)H239.CB) [> 3.7303 = 6.2171 < 8.0822] w=0.7328 to align # Constraint # added constraint: constraint((T0375)L5.CB, (T0375)F131.CB) [> 2.7601 = 4.6002 < 5.9802] w=0.7305 to align # Constraint # added constraint: constraint((T0375)V220.CB, (T0375)A230.CB) [> 3.1716 = 5.2861 < 6.8719] w=0.7273 to align # Constraint # added constraint: constraint((T0375)D185.CB, (T0375)V218.CB) [> 3.9287 = 6.5479 < 8.5122] w=0.7272 to align # Constraint # added constraint: constraint((T0375)I4.CB, (T0375)A56.CB) [> 4.2527 = 7.0878 < 9.2142] w=0.7225 to align # Constraint # added constraint: constraint((T0375)I4.CB, (T0375)F131.CB) [> 3.8573 = 6.4289 < 8.3576] w=0.7224 to align # Constraint # added constraint: constraint((T0375)F131.CB, (T0375)T156.CB) [> 3.6425 = 6.0708 < 7.8921] w=0.7192 to align # Constraint # added constraint: constraint((T0375)C6.CB, (T0375)M58.CB) [> 4.0275 = 6.7125 < 8.7262] w=0.7160 to align # Constraint # added constraint: constraint((T0375)F188.CB, (T0375)N259.CB) [> 3.1503 = 5.2505 < 6.8257] w=0.7159 to align # Constraint # added constraint: constraint((T0375)L219.CB, (T0375)L231.CB) [> 2.8947 = 4.8244 < 6.2718] w=0.7151 to align # Constraint # added constraint: constraint((T0375)L5.CB, (T0375)A56.CB) [> 2.9772 = 4.9620 < 6.4506] w=0.7145 to align # Constraint # added constraint: constraint((T0375)A56.CB, (T0375)F131.CB) [> 3.8912 = 6.4854 < 8.4310] w=0.7105 to align # Constraint # added constraint: constraint((T0375)L219.CB, (T0375)A230.CB) [> 4.2050 = 7.0083 < 9.1107] w=0.7071 to align # Constraint # added constraint: constraint((T0375)C6.CB, (T0375)C45.CB) [> 3.0303 = 5.0506 < 6.5657] w=0.7068 to align # Constraint # added constraint: constraint((T0375)I4.CB, (T0375)K132.CB) [> 4.2424 = 7.0707 < 9.1919] w=0.7063 to align # Constraint # added constraint: constraint((T0375)V187.CB, (T0375)V218.CB) [> 4.3714 = 7.2857 < 9.4715] w=0.7020 to align # Constraint # added constraint: constraint((T0375)E161.CB, (T0375)V187.CB) [> 4.4052 = 7.3420 < 9.5446] w=0.7020 to align # Constraint # added constraint: constraint((T0375)G59.CA, (T0375)Y83.CB) [> 3.7447 = 6.2411 < 8.1135] w=0.6997 to align # Constraint # added constraint: constraint((T0375)Q3.CB, (T0375)K132.CB) [> 3.4969 = 5.8281 < 7.5765] w=0.6983 to align # Constraint # added constraint: constraint((T0375)C6.CB, (T0375)C55.CB) [> 3.7920 = 6.3200 < 8.2161] w=0.6981 to align # Constraint # added constraint: constraint((T0375)H135.CB, (T0375)I263.CB) [> 3.4596 = 5.7659 < 7.4957] w=0.6967 to align # Constraint # added constraint: constraint((T0375)V220.CB, (T0375)D229.CB) [> 4.3520 = 7.2534 < 9.4294] w=0.6951 to align # Constraint # added constraint: constraint((T0375)D185.CB, (T0375)A217.CB) [> 3.5208 = 5.8681 < 7.6285] w=0.6876 to align # Constraint # added constraint: constraint((T0375)D229.CB, (T0375)L238.CB) [> 4.1204 = 6.8673 < 8.9275] w=0.6873 to align # Constraint # added constraint: constraint((T0375)A228.CB, (T0375)S240.CB) [> 3.3766 = 5.6277 < 7.3161] w=0.6846 to align # Constraint # added constraint: constraint((T0375)E161.CB, (T0375)N259.CB) [> 3.3672 = 5.6120 < 7.2956] w=0.6836 to align # Constraint # added constraint: constraint((T0375)W133.CB, (T0375)I263.CB) [> 3.4757 = 5.7928 < 7.5306] w=0.6836 to align # Constraint # added constraint: constraint((T0375)V218.CB, (T0375)L231.CB) [> 4.2098 = 7.0163 < 9.1212] w=0.6829 to align # Constraint # added constraint: constraint((T0375)V7.CB, (T0375)I136.CB) [> 3.1040 = 5.1733 < 6.7253] w=0.6822 to align # Constraint # added constraint: constraint((T0375)W133.CB, (T0375)S267.CB) [> 3.4688 = 5.7813 < 7.5157] w=0.6806 to align # Constraint # added constraint: constraint((T0375)V186.CB, (T0375)L219.CB) [> 4.4014 = 7.3357 < 9.5364] w=0.6783 to align # Constraint # added constraint: constraint((T0375)H135.CB, (T0375)P159.CB) [> 3.0303 = 5.0505 < 6.5657] w=0.6780 to align # Constraint # added constraint: constraint((T0375)V218.CB, (T0375)A230.CB) [> 4.1227 = 6.8711 < 8.9324] w=0.6748 to align # Constraint # added constraint: constraint((T0375)Q3.CB, (T0375)F131.CB) [> 3.1030 = 5.1716 < 6.7231] w=0.6741 to align # Constraint # added constraint: constraint((T0375)C6.CB, (T0375)I134.CB) [> 4.5305 = 7.5508 < 9.8161] w=0.6741 to align # Constraint # added constraint: constraint((T0375)A56.CB, (T0375)R82.CB) [> 3.7485 = 6.2474 < 8.1217] w=0.6715 to align # Constraint # added constraint: constraint((T0375)I4.CB, (T0375)L48.CB) [> 3.4278 = 5.7131 < 7.4270] w=0.6697 to align # Constraint # added constraint: constraint((T0375)A41.CB, (T0375)E137.CB) [> 3.2639 = 5.4398 < 7.0718] w=0.6652 to align # Constraint # added constraint: constraint((T0375)L48.CB, (T0375)F264.CB) [> 3.2594 = 5.4323 < 7.0620] w=0.6645 to align # Constraint # added constraint: constraint((T0375)S190.CB, (T0375)A222.CB) [> 3.2807 = 5.4679 < 7.1082] w=0.6628 to align # Constraint # added constraint: constraint((T0375)C6.CB, (T0375)A41.CB) [> 3.1261 = 5.2102 < 6.7732] w=0.6596 to align # Constraint # added constraint: constraint((T0375)F188.CB, (T0375)V262.CB) [> 4.3310 = 7.2183 < 9.3838] w=0.6595 to align # Constraint # added constraint: constraint((T0375)F188.CB, (T0375)F258.CB) [> 4.3122 = 7.1869 < 9.3430] w=0.6595 to align # Constraint # added constraint: constraint((T0375)E137.CB, (T0375)E161.CB) [> 3.1715 = 5.2858 < 6.8715] w=0.6576 to align # Constraint # added constraint: constraint((T0375)I136.CB, (T0375)P159.CB) [> 4.3005 = 7.1675 < 9.3178] w=0.6568 to align # Constraint # added constraint: constraint((T0375)A222.CB, (T0375)F258.CB) [> 3.6971 = 6.1618 < 8.0103] w=0.6545 to align # Constraint # added constraint: constraint((T0375)A194.CB, (T0375)C221.CB) [> 3.5890 = 5.9816 < 7.7761] w=0.6540 to align # Constraint # added constraint: constraint((T0375)V189.CB, (T0375)A222.CB) [> 4.2559 = 7.0932 < 9.2212] w=0.6529 to align # Constraint # added constraint: constraint((T0375)V7.CB, (T0375)H135.CB) [> 4.2724 = 7.1207 < 9.2569] w=0.6500 to align # Constraint # added constraint: constraint((T0375)K132.CB, (T0375)R157.CB) [> 4.0807 = 6.8012 < 8.8416] w=0.6473 to align # Constraint # added constraint: constraint((T0375)W133.CB, (T0375)R157.CB) [> 3.1385 = 5.2308 < 6.8000] w=0.6469 to align # Constraint # added constraint: constraint((T0375)L266.CB, (T0375)A275.CB) [> 3.2078 = 5.3464 < 6.9503] w=0.6455 to align # Constraint # added constraint: constraint((T0375)C45.CB, (T0375)C55.CB) [> 3.1681 = 5.2802 < 6.8643] w=0.6452 to align # Constraint # added constraint: constraint((T0375)V7.CB, (T0375)M58.CB) [> 2.9272 = 4.8786 < 6.3422] w=0.6435 to align # Constraint # added constraint: constraint((T0375)V218.CB, (T0375)G232.CA) [> 3.1732 = 5.2887 < 6.8753] w=0.6426 to align # Constraint # added constraint: constraint((T0375)V220.CB, (T0375)V262.CB) [> 4.0379 = 6.7299 < 8.7488] w=0.6409 to align # Constraint # added constraint: constraint((T0375)V186.CB, (T0375)A217.CB) [> 4.1792 = 6.9654 < 9.0549] w=0.6394 to align # Constraint # added constraint: constraint((T0375)L71.CB, (T0375)L81.CB) [> 3.4075 = 5.6792 < 7.3830] w=0.6373 to align # Constraint # added constraint: constraint((T0375)H135.CB, (T0375)N259.CB) [> 3.9800 = 6.6334 < 8.6234] w=0.6353 to align # Constraint # added constraint: constraint((T0375)L219.CB, (T0375)G232.CA) [> 3.9790 = 6.6317 < 8.6212] w=0.6346 to align # Constraint # added constraint: constraint((T0375)S265.CB, (T0375)F278.CB) [> 2.8991 = 4.8318 < 6.2813] w=0.6324 to align # Constraint # added constraint: constraint((T0375)V262.CB, (T0375)A275.CB) [> 3.3158 = 5.5264 < 7.1843] w=0.6324 to align # Constraint # added constraint: constraint((T0375)V262.CB, (T0375)G279.CA) [> 3.2591 = 5.4318 < 7.0613] w=0.6323 to align # Constraint # added constraint: constraint((T0375)I134.CB, (T0375)T156.CB) [> 3.4643 = 5.7737 < 7.5059] w=0.6311 to align # Constraint # added constraint: constraint((T0375)S190.CB, (T0375)C221.CB) [> 4.3294 = 7.2157 < 9.3804] w=0.6305 to align # Constraint # added constraint: constraint((T0375)N40.CB, (T0375)D256.CB) [> 3.0763 = 5.1271 < 6.6653] w=0.6282 to align # Constraint # added constraint: constraint((T0375)S265.CB, (T0375)A275.CB) [> 2.3895 = 3.9825 < 5.1773] w=0.6274 to align # Constraint # added constraint: constraint((T0375)S261.CB, (T0375)G279.CA) [> 2.3967 = 3.9945 < 5.1929] w=0.6274 to align # Constraint # added constraint: constraint((T0375)Q3.CB, (T0375)P54.CB) [> 3.0309 = 5.0514 < 6.5669] w=0.6251 to align # Constraint # added constraint: constraint((T0375)Q162.CB, (T0375)F188.CB) [> 4.1746 = 6.9576 < 9.0449] w=0.6224 to align # Constraint # added constraint: constraint((T0375)A230.CB, (T0375)L276.CB) [> 3.3098 = 5.5164 < 7.1713] w=0.6192 to align # Constraint # added constraint: constraint((T0375)S261.CB, (T0375)V282.CB) [> 2.7075 = 4.5126 < 5.8663] w=0.6192 to align # Constraint # added constraint: constraint((T0375)Q158.CB, (T0375)D185.CB) [> 3.4263 = 5.7105 < 7.4237] w=0.6192 to align # Constraint # added constraint: constraint((T0375)Q158.CB, (T0375)G184.CA) [> 2.9673 = 4.9456 < 6.4292] w=0.6192 to align # Constraint # added constraint: constraint((T0375)G59.CA, (T0375)T84.CB) [> 3.4868 = 5.8113 < 7.5547] w=0.6181 to align # Constraint # added constraint: constraint((T0375)Q3.CB, (T0375)W133.CB) [> 4.4402 = 7.4004 < 9.6205] w=0.6177 to align # Constraint # added constraint: constraint((T0375)S44.CB, (T0375)D256.CB) [> 2.9798 = 4.9664 < 6.4563] w=0.6171 to align # Constraint # added constraint: constraint((T0375)I47.CB, (T0375)T257.CB) [> 3.1648 = 5.2748 < 6.8572] w=0.6171 to align # Constraint # added constraint: constraint((T0375)I47.CB, (T0375)A260.CB) [> 2.3561 = 3.9268 < 5.1048] w=0.6171 to align # Constraint # added constraint: constraint((T0375)L48.CB, (T0375)A260.CB) [> 3.0223 = 5.0372 < 6.5483] w=0.6171 to align # Constraint # added constraint: constraint((T0375)G8.CA, (T0375)A41.CB) [> 2.5467 = 4.2444 < 5.5178] w=0.6157 to align # Constraint # added constraint: constraint((T0375)C45.CB, (T0375)F57.CB) [> 2.9785 = 4.9642 < 6.4535] w=0.6156 to align # Constraint # added constraint: constraint((T0375)G8.CA, (T0375)G59.CA) [> 3.3104 = 5.5173 < 7.1725] w=0.6154 to align # Constraint # added constraint: constraint((T0375)I47.CB, (T0375)S261.CB) [> 3.8155 = 6.3591 < 8.2669] w=0.6121 to align # Constraint # added constraint: constraint((T0375)C55.CB, (T0375)D80.CB) [> 3.8983 = 6.4971 < 8.4463] w=0.6120 to align # Constraint # added constraint: constraint((T0375)F258.CB, (T0375)A283.CB) [> 2.7279 = 4.5465 < 5.9104] w=0.6112 to align # Constraint # added constraint: constraint((T0375)S44.CB, (T0375)H135.CB) [> 3.6667 = 6.1111 < 7.9444] w=0.6110 to align # Constraint # added constraint: constraint((T0375)V7.CB, (T0375)G59.CA) [> 3.8191 = 6.3651 < 8.2747] w=0.6079 to align # Constraint # added constraint: constraint((T0375)G8.CA, (T0375)M58.CB) [> 4.0914 = 6.8189 < 8.8646] w=0.6074 to align # Constraint # added constraint: constraint((T0375)I134.CB, (T0375)I151.CB) [> 3.1388 = 5.2313 < 6.8007] w=0.6069 to align # Constraint # added constraint: constraint((T0375)W133.CB, (T0375)T156.CB) [> 3.9100 = 6.5168 < 8.4718] w=0.6061 to align # Constraint # added constraint: constraint((T0375)G8.CA, (T0375)E137.CB) [> 3.5142 = 5.8571 < 7.6142] w=0.6048 to align # Constraint # added constraint: constraint((T0375)S265.CB, (T0375)G279.CA) [> 3.8377 = 6.3961 < 8.3149] w=0.6033 to align # Constraint # added constraint: constraint((T0375)C55.CB, (T0375)V79.CB) [> 3.4708 = 5.7846 < 7.5200] w=0.6012 to align # Constraint # added constraint: constraint((T0375)I134.CB, (T0375)R157.CB) [> 4.3543 = 7.2572 < 9.4344] w=0.5994 to align # Constraint # added constraint: constraint((T0375)K132.CB, (T0375)T156.CB) [> 3.7130 = 6.1883 < 8.0448] w=0.5990 to align # Constraint # added constraint: constraint((T0375)M58.CB, (T0375)T84.CB) [> 4.1109 = 6.8515 < 8.9070] w=0.5960 to align # Constraint # added constraint: constraint((T0375)F258.CB, (T0375)G279.CA) [> 3.4110 = 5.6851 < 7.3906] w=0.5960 to align # Constraint # added constraint: constraint((T0375)L5.CB, (T0375)M58.CB) [> 3.8681 = 6.4469 < 8.3810] w=0.5954 to align # Constraint # added constraint: constraint((T0375)A228.CB, (T0375)C280.CB) [> 3.7517 = 6.2529 < 8.1288] w=0.5950 to align # Constraint # added constraint: constraint((T0375)M58.CB, (T0375)Y83.CB) [> 3.6243 = 6.0404 < 7.8526] w=0.5948 to align # Constraint # added constraint: constraint((T0375)G8.CA, (T0375)I136.CB) [> 4.1800 = 6.9667 < 9.0567] w=0.5937 to align # Constraint # added constraint: constraint((T0375)F57.CB, (T0375)L74.CB) [> 3.9189 = 6.5315 < 8.4909] w=0.5934 to align # Constraint # added constraint: constraint((T0375)S44.CB, (T0375)A260.CB) [> 2.7591 = 4.5986 < 5.9781] w=0.5929 to align # Constraint # added constraint: constraint((T0375)A222.CB, (T0375)G255.CA) [> 3.7770 = 6.2950 < 8.1835] w=0.5926 to align # Constraint # added constraint: constraint((T0375)P160.CB, (T0375)V187.CB) [> 3.3640 = 5.6067 < 7.2887] w=0.5883 to align # Constraint # added constraint: constraint((T0375)S42.CB, (T0375)F57.CB) [> 3.7913 = 6.3189 < 8.2146] w=0.5878 to align # Constraint # added constraint: constraint((T0375)I4.CB, (T0375)A53.CB) [> 3.4813 = 5.8022 < 7.5429] w=0.5849 to align # Constraint # added constraint: constraint((T0375)L5.CB, (T0375)C55.CB) [> 4.3941 = 7.3236 < 9.5206] w=0.5790 to align # Constraint # added constraint: constraint((T0375)I136.CB, (T0375)Q158.CB) [> 4.0865 = 6.8108 < 8.8540] w=0.5752 to align # Constraint # added constraint: constraint((T0375)C6.CB, (T0375)S44.CB) [> 3.4248 = 5.7079 < 7.4203] w=0.5732 to align # Constraint # added constraint: constraint((T0375)E137.CB, (T0375)Q162.CB) [> 4.0899 = 6.8165 < 8.8615] w=0.5731 to align # Constraint # added constraint: constraint((T0375)A228.CB, (T0375)H239.CB) [> 4.3406 = 7.2343 < 9.4046] w=0.5719 to align # Constraint # added constraint: constraint((T0375)S49.CB, (T0375)V79.CB) [> 3.3551 = 5.5919 < 7.2695] w=0.5697 to align # Constraint # added constraint: constraint((T0375)V7.CB, (T0375)I134.CB) [> 4.0663 = 6.7772 < 8.8104] w=0.5694 to align # Constraint # added constraint: constraint((T0375)C221.CB, (T0375)A230.CB) [> 4.3856 = 7.3093 < 9.5021] w=0.5666 to align # Constraint # added constraint: constraint((T0375)S60.CB, (T0375)F86.CB) [> 3.7390 = 6.2316 < 8.1011] w=0.5654 to align # Constraint # added constraint: constraint((T0375)V189.CB, (T0375)L219.CB) [> 4.4734 = 7.4556 < 9.6923] w=0.5650 to align # Constraint # added constraint: constraint((T0375)I4.CB, (T0375)P54.CB) [> 4.2116 = 7.0194 < 9.1252] w=0.5646 to align # Constraint # added constraint: constraint((T0375)T257.CB, (T0375)A283.CB) [> 3.1750 = 5.2917 < 6.8792] w=0.5638 to align # Constraint # added constraint: constraint((T0375)A254.CB, (T0375)A283.CB) [> 3.2931 = 5.4885 < 7.1351] w=0.5638 to align # Constraint # added constraint: constraint((T0375)A254.CB, (T0375)C287.CB) [> 3.4963 = 5.8272 < 7.5754] w=0.5638 to align # Constraint # added constraint: constraint((T0375)K132.CB, (T0375)S267.CB) [> 3.4143 = 5.6906 < 7.3977] w=0.5628 to align # Constraint # added constraint: constraint((T0375)L5.CB, (T0375)L128.CB) [> 3.6665 = 6.1108 < 7.9441] w=0.5617 to align # Constraint # added constraint: constraint((T0375)S60.CB, (T0375)V85.CB) [> 3.9146 = 6.5243 < 8.4816] w=0.5587 to align # Constraint # added constraint: constraint((T0375)G138.CA, (T0375)K163.CB) [> 3.6651 = 6.1084 < 7.9410] w=0.5575 to align # Constraint # added constraint: constraint((T0375)A56.CB, (T0375)L81.CB) [> 4.2553 = 7.0922 < 9.2198] w=0.5561 to align # Constraint # added constraint: constraint((T0375)G227.CA, (T0375)D241.CB) [> 3.5526 = 5.9211 < 7.6974] w=0.5551 to align # Constraint # added constraint: constraint((T0375)F57.CB, (T0375)Y83.CB) [> 3.9747 = 6.6245 < 8.6118] w=0.5550 to align # Constraint # added constraint: constraint((T0375)Q3.CB, (T0375)Q130.CB) [> 3.6713 = 6.1189 < 7.9545] w=0.5533 to align # Constraint # added constraint: constraint((T0375)F57.CB, (T0375)R82.CB) [> 4.1731 = 6.9551 < 9.0417] w=0.5514 to align # Constraint # added constraint: constraint((T0375)L51.CB, (T0375)F264.CB) [> 2.7313 = 4.5521 < 5.9177] w=0.5477 to align # Constraint # added constraint: constraint((T0375)R157.CB, (T0375)D185.CB) [> 2.8113 = 4.6856 < 6.0912] w=0.5474 to align # Constraint # added constraint: constraint((T0375)K191.CB, (T0375)W223.CB) [> 3.4607 = 5.7678 < 7.4981] w=0.5470 to align # Constraint # added constraint: constraint((T0375)F258.CB, (T0375)C280.CB) [> 4.1483 = 6.9139 < 8.9880] w=0.5467 to align # Constraint # added constraint: constraint((T0375)Q3.CB, (T0375)C55.CB) [> 4.2111 = 7.0185 < 9.1241] w=0.5450 to align # Constraint # added constraint: constraint((T0375)S49.CB, (T0375)Y77.CB) [> 3.4495 = 5.7491 < 7.4738] w=0.5420 to align # Constraint # added constraint: constraint((T0375)M61.CB, (T0375)F86.CB) [> 3.7294 = 6.2156 < 8.0803] w=0.5416 to align # Constraint # added constraint: constraint((T0375)G184.CA, (T0375)A217.CB) [> 3.8613 = 6.4355 < 8.3662] w=0.5399 to align # Constraint # added constraint: constraint((T0375)I4.CB, (T0375)I263.CB) [> 3.4466 = 5.7444 < 7.4677] w=0.5396 to align # Constraint # added constraint: constraint((T0375)F188.CB, (T0375)C221.CB) [> 4.3696 = 7.2826 < 9.4674] w=0.5391 to align # Constraint # added constraint: constraint((T0375)L148.CB, (T0375)Q158.CB) [> 3.3100 = 5.5166 < 7.1716] w=0.5384 to align # Constraint # added constraint: constraint((T0375)P159.CB, (T0375)F188.CB) [> 4.2824 = 7.1373 < 9.2785] w=0.5369 to align # Constraint # added constraint: constraint((T0375)N43.CB, (T0375)D256.CB) [> 2.4221 = 4.0369 < 5.2480] w=0.5366 to align # Constraint # added constraint: constraint((T0375)L209.CB, (T0375)L219.CB) [> 3.1260 = 5.2100 < 6.7730] w=0.5358 to align # Constraint # added constraint: constraint((T0375)I136.CB, (T0375)M147.CB) [> 3.9336 = 6.5560 < 8.5228] w=0.5345 to align # Constraint # added constraint: constraint((T0375)A230.CB, (T0375)S240.CB) [> 4.1331 = 6.8885 < 8.9550] w=0.5319 to align # Constraint # added constraint: constraint((T0375)V145.CB, (T0375)L180.CB) [> 3.7878 = 6.3129 < 8.2068] w=0.5319 to align # Constraint # added constraint: constraint((T0375)C45.CB, (T0375)V79.CB) [> 3.4412 = 5.7354 < 7.4560] w=0.5298 to align # Constraint # added constraint: constraint((T0375)L5.CB, (T0375)F57.CB) [> 4.3700 = 7.2834 < 9.4684] w=0.5245 to align # Constraint # added constraint: constraint((T0375)V220.CB, (T0375)L276.CB) [> 3.9402 = 6.5671 < 8.5372] w=0.5226 to align # Constraint # added constraint: constraint((T0375)G227.CA, (T0375)S240.CB) [> 3.7252 = 6.2087 < 8.0714] w=0.5226 to align # Constraint # added constraint: constraint((T0375)C6.CB, (T0375)L48.CB) [> 4.3604 = 7.2674 < 9.4476] w=0.5218 to align # Constraint # added constraint: constraint((T0375)Q3.CB, (T0375)A56.CB) [> 4.1325 = 6.8875 < 8.9538] w=0.5214 to align # Constraint # added constraint: constraint((T0375)L48.CB, (T0375)I263.CB) [> 3.6446 = 6.0743 < 7.8965] w=0.5205 to align # Constraint # added constraint: constraint((T0375)A53.CB, (T0375)F264.CB) [> 3.2040 = 5.3400 < 6.9419] w=0.5201 to align # Constraint # added constraint: constraint((T0375)F57.CB, (T0375)D80.CB) [> 4.2031 = 7.0052 < 9.1068] w=0.5181 to align # Constraint # added constraint: constraint((T0375)P159.CB, (T0375)I263.CB) [> 3.4519 = 5.7532 < 7.4792] w=0.5145 to align # Constraint # added constraint: constraint((T0375)T96.CB, (T0375)I108.CB) [> 3.8552 = 6.4253 < 8.3529] w=0.5142 to align # Constraint # added constraint: constraint((T0375)T46.CB, (T0375)V79.CB) [> 3.8167 = 6.3611 < 8.2695] w=0.5142 to align # Constraint # added constraint: constraint((T0375)A62.CB, (T0375)F86.CB) [> 3.5678 = 5.9463 < 7.7302] w=0.5110 to align # Constraint # added constraint: constraint((T0375)G8.CA, (T0375)F57.CB) [> 4.4601 = 7.4334 < 9.6635] w=0.5107 to align # Constraint # added constraint: constraint((T0375)F57.CB, (T0375)V79.CB) [> 3.4069 = 5.6782 < 7.3817] w=0.5095 to align # Constraint # added constraint: constraint((T0375)S265.CB, (T0375)E274.CB) [> 3.9282 = 6.5470 < 8.5111] w=0.5076 to align # Constraint # added constraint: constraint((T0375)A230.CB, (T0375)H239.CB) [> 4.0205 = 6.7008 < 8.7111] w=0.5074 to align # Constraint # added constraint: constraint((T0375)S261.CB, (T0375)F278.CB) [> 3.3335 = 5.5558 < 7.2226] w=0.5074 to align # Constraint # added constraint: constraint((T0375)N40.CB, (T0375)G253.CA) [> 4.1782 = 6.9637 < 9.0528] w=0.5074 to align # Constraint # added constraint: constraint((T0375)N43.CB, (T0375)T257.CB) [> 4.1297 = 6.8829 < 8.9477] w=0.5074 to align # Constraint # added constraint: constraint((T0375)N43.CB, (T0375)G253.CA) [> 3.3509 = 5.5848 < 7.2602] w=0.5074 to align # Constraint # added constraint: constraint((T0375)S60.CB, (T0375)V118.CB) [> 3.1788 = 5.2979 < 6.8873] w=0.5067 to align # Constraint # added constraint: constraint((T0375)E137.CB, (T0375)K163.CB) [> 3.0213 = 5.0355 < 6.5461] w=0.5054 to align # Constraint # added constraint: constraint((T0375)Q158.CB, (T0375)V186.CB) [> 4.4412 = 7.4019 < 9.6225] w=0.5054 to align # Constraint # added constraint: constraint((T0375)I47.CB, (T0375)D256.CB) [> 4.1674 = 6.9457 < 9.0294] w=0.5044 to align # Constraint # added constraint: constraint((T0375)S60.CB, (T0375)T84.CB) [> 3.7142 = 6.1904 < 8.0475] w=0.5022 to align # Constraint # added constraint: constraint((T0375)M61.CB, (T0375)V85.CB) [> 3.9298 = 6.5496 < 8.5145] w=0.5016 to align # Constraint # added constraint: constraint((T0375)G138.CA, (T0375)Q162.CB) [> 3.8805 = 6.4676 < 8.4079] w=0.4998 to align # Constraint # added constraint: constraint((T0375)V10.CB, (T0375)G38.CA) [> 3.9167 = 6.5279 < 8.4862] w=0.4994 to align # Constraint # added constraint: constraint((T0375)A41.CB, (T0375)F57.CB) [> 3.8314 = 6.3857 < 8.3014] w=0.4994 to align # Constraint # added constraint: constraint((T0375)A56.CB, (T0375)V79.CB) [> 4.2091 = 7.0151 < 9.1197] w=0.4950 to align # Constraint # added constraint: constraint((T0375)F188.CB, (T0375)L219.CB) [> 4.4900 = 7.4834 < 9.7284] w=0.4936 to align # Constraint # added constraint: constraint((T0375)G184.CA, (T0375)G216.CA) [> 3.6663 = 6.1105 < 7.9436] w=0.4934 to align # Constraint # added constraint: constraint((T0375)T46.CB, (T0375)Y77.CB) [> 3.5848 = 5.9747 < 7.7671] w=0.4926 to align # Constraint # added constraint: constraint((T0375)L148.CB, (T0375)G184.CA) [> 3.9887 = 6.6478 < 8.6421] w=0.4917 to align # Constraint # added constraint: constraint((T0375)V10.CB, (T0375)G59.CA) [> 3.6144 = 6.0240 < 7.8312] w=0.4913 to align # Constraint # added constraint: constraint((T0375)V10.CB, (T0375)G39.CA) [> 3.4170 = 5.6949 < 7.4034] w=0.4913 to align # Constraint # added constraint: constraint((T0375)V10.CB, (T0375)S42.CB) [> 2.9479 = 4.9132 < 6.3872] w=0.4913 to align # Constraint # added constraint: constraint((T0375)V7.CB, (T0375)A41.CB) [> 3.8801 = 6.4668 < 8.4068] w=0.4911 to align # Constraint # added constraint: constraint((T0375)L9.CB, (T0375)A41.CB) [> 3.5012 = 5.8353 < 7.5859] w=0.4909 to align # Constraint # added constraint: constraint((T0375)V186.CB, (T0375)L266.CB) [> 4.4222 = 7.3704 < 9.5815] w=0.4903 to align # Constraint # added constraint: constraint((T0375)Q162.CB, (T0375)L177.CB) [> 3.6384 = 6.0641 < 7.8833] w=0.4885 to align # Constraint # added constraint: constraint((T0375)P54.CB, (T0375)D80.CB) [> 3.9348 = 6.5580 < 8.5253] w=0.4839 to align # Constraint # added constraint: constraint((T0375)A228.CB, (T0375)L276.CB) [> 3.7736 = 6.2893 < 8.1761] w=0.4833 to align # Constraint # added constraint: constraint((T0375)D13.CB, (T0375)G38.CA) [> 3.0135 = 5.0225 < 6.5293] w=0.4832 to align # Constraint # added constraint: constraint((T0375)L9.CB, (T0375)G39.CA) [> 3.5710 = 5.9518 < 7.7373] w=0.4832 to align # Constraint # added constraint: constraint((T0375)H135.CB, (T0375)Q158.CB) [> 4.4018 = 7.3364 < 9.5373] w=0.4831 to align # Constraint # added constraint: constraint((T0375)G138.CA, (T0375)E161.CB) [> 4.0160 = 6.6934 < 8.7014] w=0.4823 to align # Constraint # added constraint: constraint((T0375)Q158.CB, (T0375)Y183.CB) [> 3.8709 = 6.4516 < 8.3870] w=0.4815 to align # Constraint # added constraint: constraint((T0375)N40.CB, (T0375)E137.CB) [> 2.6599 = 4.4331 < 5.7631] w=0.4808 to align # Constraint # added constraint: constraint((T0375)S190.CB, (T0375)W223.CB) [> 3.9241 = 6.5402 < 8.5023] w=0.4794 to align # Constraint # added constraint: constraint((T0375)L148.CB, (T0375)L180.CB) [> 3.6745 = 6.1241 < 7.9614] w=0.4791 to align # Constraint # added constraint: constraint((T0375)L148.CB, (T0375)Y183.CB) [> 3.0944 = 5.1574 < 6.7046] w=0.4769 to align # Constraint # added constraint: constraint((T0375)D229.CB, (T0375)S240.CB) [> 4.1280 = 6.8801 < 8.9441] w=0.4755 to align # Constraint # added constraint: constraint((T0375)T251.CB, (T0375)C287.CB) [> 3.3890 = 5.6484 < 7.3429] w=0.4752 to align # Constraint # added constraint: constraint((T0375)T257.CB, (T0375)K286.CB) [> 2.6828 = 4.4713 < 5.8127] w=0.4752 to align # Constraint # added constraint: constraint((T0375)C6.CB, (T0375)S42.CB) [> 4.2003 = 7.0005 < 9.1007] w=0.4751 to align # Constraint # added constraint: constraint((T0375)D185.CB, (T0375)G216.CA) [> 3.8173 = 6.3622 < 8.2708] w=0.4744 to align # Constraint # added constraint: constraint((T0375)V189.CB, (T0375)V220.CB) [> 4.4368 = 7.3946 < 9.6130] w=0.4741 to align # Constraint # added constraint: constraint((T0375)S44.CB, (T0375)N259.CB) [> 3.2073 = 5.3454 < 6.9490] w=0.4721 to align # Constraint # added constraint: constraint((T0375)E137.CB, (T0375)P160.CB) [> 4.3408 = 7.2346 < 9.4050] w=0.4718 to align # Constraint # added constraint: constraint((T0375)Q162.CB, (T0375)V189.CB) [> 3.0067 = 5.0111 < 6.5145] w=0.4693 to align # Constraint # added constraint: constraint((T0375)C45.CB, (T0375)A260.CB) [> 3.9609 = 6.6015 < 8.5819] w=0.4671 to align # Constraint # added constraint: constraint((T0375)L51.CB, (T0375)S261.CB) [> 3.8402 = 6.4002 < 8.3203] w=0.4671 to align # Constraint # added constraint: constraint((T0375)A95.CB, (T0375)L109.CB) [> 3.7973 = 6.3288 < 8.2274] w=0.4662 to align # Constraint # added constraint: constraint((T0375)M61.CB, (T0375)T84.CB) [> 4.1682 = 6.9470 < 9.0311] w=0.4653 to align # Constraint # added constraint: constraint((T0375)T257.CB, (T0375)V282.CB) [> 3.1189 = 5.1981 < 6.7575] w=0.4591 to align # Constraint # added constraint: constraint((T0375)V10.CB, (T0375)R37.CB) [> 4.2854 = 7.1424 < 9.2851] w=0.4591 to align # Constraint # added constraint: constraint((T0375)I15.CB, (T0375)V97.CB) [> 2.8733 = 4.7888 < 6.2254] w=0.4591 to align # Constraint # added constraint: constraint((T0375)S16.CB, (T0375)V97.CB) [> 4.0975 = 6.8292 < 8.8779] w=0.4591 to align # Constraint # added constraint: constraint((T0375)V248.CB, (T0375)C287.CB) [> 3.0584 = 5.0973 < 6.6265] w=0.4584 to align # Constraint # added constraint: constraint((T0375)A95.CB, (T0375)I108.CB) [> 3.6567 = 6.0946 < 7.9229] w=0.4583 to align # Constraint # added constraint: constraint((T0375)V97.CB, (T0375)T107.CB) [> 4.0004 = 6.6673 < 8.6675] w=0.4583 to align # Constraint # added constraint: constraint((T0375)G59.CA, (T0375)V85.CB) [> 3.9302 = 6.5503 < 8.5154] w=0.4574 to align # Constraint # added constraint: constraint((T0375)F123.CB, (T0375)M147.CB) [> 3.7863 = 6.3105 < 8.2037] w=0.4564 to align # Constraint # added constraint: constraint((T0375)P160.CB, (T0375)F188.CB) [> 4.3487 = 7.2479 < 9.4223] w=0.4564 to align # Constraint # added constraint: constraint((T0375)Q3.CB, (T0375)A53.CB) [> 4.2262 = 7.0437 < 9.1568] w=0.4560 to align # Constraint # added constraint: constraint((T0375)G8.CA, (T0375)S42.CB) [> 3.8693 = 6.4488 < 8.3834] w=0.4556 to align # Constraint # added constraint: constraint((T0375)I136.CB, (T0375)Q162.CB) [> 3.5484 = 5.9139 < 7.6881] w=0.4537 to align # Constraint # added constraint: constraint((T0375)G255.CA, (T0375)A283.CB) [> 3.7101 = 6.1835 < 8.0386] w=0.4510 to align # Constraint # added constraint: constraint((T0375)D13.CB, (T0375)R37.CB) [> 4.2870 = 7.1450 < 9.2884] w=0.4510 to align # Constraint # added constraint: constraint((T0375)V14.CB, (T0375)A95.CB) [> 3.9965 = 6.6608 < 8.6591] w=0.4510 to align # Constraint # added constraint: constraint((T0375)P159.CB, (T0375)V187.CB) [> 4.4256 = 7.3759 < 9.5887] w=0.4508 to align # Constraint # added constraint: constraint((T0375)W133.CB, (T0375)L266.CB) [> 3.4841 = 5.8069 < 7.5490] w=0.4501 to align # Constraint # added constraint: constraint((T0375)C6.CB, (T0375)I136.CB) [> 4.3849 = 7.3082 < 9.5006] w=0.4446 to align # Constraint # added constraint: constraint((T0375)I47.CB, (T0375)V282.CB) [> 3.8974 = 6.4956 < 8.4443] w=0.4430 to align # Constraint # added constraint: constraint((T0375)S44.CB, (T0375)T257.CB) [> 4.3112 = 7.1854 < 9.3410] w=0.4430 to align # Constraint # added constraint: constraint((T0375)S16.CB, (T0375)I98.CB) [> 3.6529 = 6.0882 < 7.9147] w=0.4430 to align # Constraint # added constraint: constraint((T0375)V11.CB, (T0375)G38.CA) [> 2.9973 = 4.9956 < 6.4942] w=0.4430 to align # Constraint # added constraint: constraint((T0375)V97.CB, (T0375)R106.CB) [> 3.6344 = 6.0573 < 7.8745] w=0.4423 to align # Constraint # added constraint: constraint((T0375)I98.CB, (T0375)T107.CB) [> 3.3220 = 5.5366 < 7.1976] w=0.4420 to align # Constraint # added constraint: constraint((T0375)V97.CB, (T0375)I108.CB) [> 3.6378 = 6.0629 < 7.8818] w=0.4419 to align # Constraint # added constraint: constraint((T0375)L206.CB, (T0375)L231.CB) [> 3.3728 = 5.6213 < 7.3077] w=0.4418 to align # Constraint # added constraint: constraint((T0375)I136.CB, (T0375)L148.CB) [> 4.0365 = 6.7276 < 8.7458] w=0.4356 to align # Constraint # added constraint: constraint((T0375)V7.CB, (T0375)E137.CB) [> 4.2220 = 7.0367 < 9.1476] w=0.4355 to align # Constraint # added constraint: constraint((T0375)L128.CB, (T0375)R150.CB) [> 3.5059 = 5.8432 < 7.5961] w=0.4350 to align # Constraint # added constraint: constraint((T0375)G227.CA, (T0375)A242.CB) [> 2.9709 = 4.9515 < 6.4370] w=0.4349 to align # Constraint # added constraint: constraint((T0375)V11.CB, (T0375)G39.CA) [> 2.8074 = 4.6790 < 6.0827] w=0.4349 to align # Constraint # added constraint: constraint((T0375)Y210.CB, (T0375)L231.CB) [> 3.6507 = 6.0846 < 7.9099] w=0.4343 to align # Constraint # added constraint: constraint((T0375)M61.CB, (T0375)V70.CB) [> 3.6369 = 6.0615 < 7.8800] w=0.4342 to align # Constraint # added constraint: constraint((T0375)L206.CB, (T0375)D229.CB) [> 3.7897 = 6.3162 < 8.2110] w=0.4340 to align # Constraint # added constraint: constraint((T0375)V187.CB, (T0375)G216.CA) [> 3.8992 = 6.4986 < 8.4482] w=0.4337 to align # Constraint # added constraint: constraint((T0375)M61.CB, (T0375)V92.CB) [> 3.2309 = 5.3849 < 7.0004] w=0.4269 to align # Constraint # added constraint: constraint((T0375)V14.CB, (T0375)I94.CB) [> 3.7496 = 6.2493 < 8.1241] w=0.4269 to align # Constraint # added constraint: constraint((T0375)A242.CB, (T0375)C280.CB) [> 3.6579 = 6.0964 < 7.9253] w=0.4262 to align # Constraint # added constraint: constraint((T0375)F188.CB, (T0375)G255.CA) [> 4.5450 = 7.5749 < 9.8474] w=0.4259 to align # Constraint # added constraint: constraint((T0375)V14.CB, (T0375)V97.CB) [> 4.0399 = 6.7331 < 8.7530] w=0.4188 to align # Constraint # added constraint: constraint((T0375)D13.CB, (T0375)A95.CB) [> 3.2876 = 5.4793 < 7.1231] w=0.4188 to align # Constraint # added constraint: constraint((T0375)T96.CB, (T0375)L109.CB) [> 3.2522 = 5.4202 < 7.0463] w=0.4176 to align # Constraint # added constraint: constraint((T0375)A41.CB, (T0375)G59.CA) [> 4.2528 = 7.0879 < 9.2143] w=0.4154 to align # Constraint # added constraint: constraint((T0375)G138.CA, (T0375)I164.CB) [> 3.8913 = 6.4855 < 8.4311] w=0.4120 to align # Constraint # added constraint: constraint((T0375)A254.CB, (T0375)K286.CB) [> 3.3099 = 5.5165 < 7.1714] w=0.4108 to align # Constraint # added constraint: constraint((T0375)V10.CB, (T0375)M61.CB) [> 3.7499 = 6.2498 < 8.1248] w=0.4108 to align # Constraint # added constraint: constraint((T0375)N43.CB, (T0375)A260.CB) [> 4.2893 = 7.1489 < 9.2935] w=0.4108 to align # Constraint # added constraint: constraint((T0375)V248.CB, (T0375)G288.CA) [> 3.7611 = 6.2684 < 8.1489] w=0.4108 to align # Constraint # added constraint: constraint((T0375)D13.CB, (T0375)V97.CB) [> 3.5942 = 5.9903 < 7.7874] w=0.4108 to align # Constraint # added constraint: constraint((T0375)L12.CB, (T0375)G38.CA) [> 4.1231 = 6.8717 < 8.9333] w=0.4108 to align # Constraint # added constraint: constraint((T0375)A41.CB, (T0375)H135.CB) [> 4.0615 = 6.7692 < 8.8000] w=0.4104 to align # Constraint # added constraint: constraint((T0375)S240.CB, (T0375)C280.CB) [> 3.2912 = 5.4853 < 7.1309] w=0.4101 to align # Constraint # added constraint: constraint((T0375)F243.CB, (T0375)G284.CA) [> 3.4577 = 5.7628 < 7.4917] w=0.4098 to align # Constraint # added constraint: constraint((T0375)P160.CB, (T0375)L180.CB) [> 3.7346 = 6.2244 < 8.0917] w=0.4096 to align # Constraint # added constraint: constraint((T0375)L51.CB, (T0375)A260.CB) [> 4.2601 = 7.1002 < 9.2303] w=0.4077 to align # Constraint # added constraint: constraint((T0375)V7.CB, (T0375)F57.CB) [> 4.4597 = 7.4328 < 9.6626] w=0.4075 to align # Constraint # added constraint: constraint((T0375)F178.CB, (T0375)L197.CB) [> 3.8563 = 6.4272 < 8.3553] w=0.4070 to align # Constraint # added constraint: constraint((T0375)A194.CB, (T0375)A205.CB) [> 3.5731 = 5.9552 < 7.7418] w=0.4066 to align # Constraint # added constraint: constraint((T0375)V220.CB, (T0375)L231.CB) [> 4.3801 = 7.3002 < 9.4903] w=0.4061 to align # Constraint # added constraint: constraint((T0375)C221.CB, (T0375)L231.CB) [> 4.2604 = 7.1007 < 9.2309] w=0.4061 to align # Constraint # added constraint: constraint((T0375)D152.CB, (T0375)Y183.CB) [> 3.5695 = 5.9492 < 7.7339] w=0.4058 to align # Constraint # added constraint: constraint((T0375)I134.CB, (T0375)M147.CB) [> 3.8984 = 6.4974 < 8.4466] w=0.4046 to align # Constraint # added constraint: constraint((T0375)L128.CB, (T0375)I151.CB) [> 3.3635 = 5.6059 < 7.2876] w=0.4031 to align # Constraint # added constraint: constraint((T0375)A194.CB, (T0375)L209.CB) [> 4.2369 = 7.0615 < 9.1799] w=0.4031 to align # Constraint # added constraint: constraint((T0375)D250.CB, (T0375)C287.CB) [> 3.8994 = 6.4990 < 8.4487] w=0.4027 to align # Constraint # added constraint: constraint((T0375)D13.CB, (T0375)Q36.CB) [> 2.7905 = 4.6508 < 6.0461] w=0.4027 to align # Constraint # added constraint: constraint((T0375)L12.CB, (T0375)R37.CB) [> 3.9910 = 6.6516 < 8.6471] w=0.4027 to align # Constraint # added constraint: constraint((T0375)V11.CB, (T0375)P93.CB) [> 2.8217 = 4.7029 < 6.1137] w=0.4027 to align # Constraint # added constraint: constraint((T0375)L12.CB, (T0375)P93.CB) [> 4.0862 = 6.8103 < 8.8534] w=0.4027 to align # Constraint # added constraint: constraint((T0375)G8.CA, (T0375)N40.CB) [> 4.2080 = 7.0133 < 9.1173] w=0.4022 to align # Constraint # added constraint: constraint((T0375)Q162.CB, (T0375)V193.CB) [> 2.9471 = 4.9117 < 6.3853] w=0.4021 to align # Constraint # added constraint: constraint((T0375)P93.CB, (T0375)Y111.CB) [> 3.3977 = 5.6628 < 7.3616] w=0.4021 to align # Constraint # added constraint: constraint((T0375)Y210.CB, (T0375)L219.CB) [> 3.7665 = 6.2776 < 8.1608] w=0.3973 to align # Constraint # added constraint: constraint((T0375)I134.CB, (T0375)P160.CB) [> 3.4047 = 5.6744 < 7.3768] w=0.3953 to align # Constraint # added constraint: constraint((T0375)A205.CB, (T0375)C221.CB) [> 3.6549 = 6.0915 < 7.9189] w=0.3951 to align # Constraint # added constraint: constraint((T0375)I15.CB, (T0375)Q36.CB) [> 4.1382 = 6.8970 < 8.9662] w=0.3947 to align # Constraint # added constraint: constraint((T0375)V14.CB, (T0375)W35.CB) [> 3.4572 = 5.7621 < 7.4907] w=0.3947 to align # Constraint # added constraint: constraint((T0375)D13.CB, (T0375)W35.CB) [> 4.2127 = 7.0211 < 9.1275] w=0.3947 to align # Constraint # added constraint: constraint((T0375)V66.CB, (T0375)V92.CB) [> 2.7880 = 4.6466 < 6.0406] w=0.3947 to align # Constraint # added constraint: constraint((T0375)A95.CB, (T0375)Y110.CB) [> 3.3084 = 5.5139 < 7.1681] w=0.3936 to align # Constraint # added constraint: constraint((T0375)I94.CB, (T0375)Y111.CB) [> 3.4645 = 5.7742 < 7.5065] w=0.3936 to align # Constraint # added constraint: constraint((T0375)G8.CA, (T0375)G138.CA) [> 3.5075 = 5.8459 < 7.5996] w=0.3912 to align # Constraint # added constraint: constraint((T0375)A41.CB, (T0375)G138.CA) [> 3.9908 = 6.6514 < 8.6468] w=0.3894 to align # Constraint # added constraint: constraint((T0375)V7.CB, (T0375)M147.CB) [> 3.7369 = 6.2281 < 8.0966] w=0.3879 to align # Constraint # added constraint: constraint((T0375)F258.CB, (T0375)V282.CB) [> 3.8477 = 6.4129 < 8.3367] w=0.3866 to align # Constraint # added constraint: constraint((T0375)G253.CA, (T0375)K286.CB) [> 3.7041 = 6.1736 < 8.0256] w=0.3866 to align # Constraint # added constraint: constraint((T0375)G39.CA, (T0375)D256.CB) [> 4.5846 = 7.6410 < 9.9333] w=0.3866 to align # Constraint # added constraint: constraint((T0375)V10.CB, (T0375)P93.CB) [> 4.1210 = 6.8683 < 8.9288] w=0.3866 to align # Constraint # added constraint: constraint((T0375)S190.CB, (T0375)G255.CA) [> 4.4464 = 7.4106 < 9.6338] w=0.3866 to align # Constraint # added constraint: constraint((T0375)L12.CB, (T0375)I94.CB) [> 3.0935 = 5.1558 < 6.7025] w=0.3866 to align # Constraint # added constraint: constraint((T0375)V11.CB, (T0375)I94.CB) [> 3.6699 = 6.1164 < 7.9513] w=0.3866 to align # Constraint # added constraint: constraint((T0375)V10.CB, (T0375)S60.CB) [> 4.2709 = 7.1182 < 9.2536] w=0.3866 to align # Constraint # added constraint: constraint((T0375)L9.CB, (T0375)S60.CB) [> 4.2395 = 7.0659 < 9.1857] w=0.3863 to align # Constraint # added constraint: constraint((T0375)M61.CB, (T0375)L71.CB) [> 3.8871 = 6.4785 < 8.4221] w=0.3862 to align # Constraint # added constraint: constraint((T0375)L9.CB, (T0375)G59.CA) [> 4.1948 = 6.9913 < 9.0887] w=0.3860 to align # Constraint # added constraint: constraint((T0375)A202.CB, (T0375)D229.CB) [> 3.6820 = 6.1367 < 7.9777] w=0.3859 to align # Constraint # added constraint: constraint((T0375)S42.CB, (T0375)L74.CB) [> 4.2563 = 7.0938 < 9.2219] w=0.3855 to align # Constraint # added constraint: constraint((T0375)L71.CB, (T0375)Y83.CB) [> 3.9555 = 6.5925 < 8.5702] w=0.3832 to align # Constraint # added constraint: constraint((T0375)S2.CB, (T0375)K132.CB) [> 2.8503 = 4.7504 < 6.1755] w=0.3820 to align # Constraint # added constraint: constraint((T0375)L177.CB, (T0375)L197.CB) [> 3.8048 = 6.3414 < 8.2437] w=0.3802 to align # Constraint # added constraint: constraint((T0375)A56.CB, (T0375)Y83.CB) [> 3.7475 = 6.2459 < 8.1197] w=0.3787 to align # Constraint # added constraint: constraint((T0375)T129.CB, (T0375)H154.CB) [> 3.4026 = 5.6711 < 7.3724] w=0.3786 to align # Constraint # added constraint: constraint((T0375)S44.CB, (T0375)I263.CB) [> 4.2328 = 7.0546 < 9.1710] w=0.3785 to align # Constraint # added constraint: constraint((T0375)V249.CB, (T0375)C287.CB) [> 4.0308 = 6.7180 < 8.7334] w=0.3785 to align # Constraint # added constraint: constraint((T0375)L9.CB, (T0375)N140.CB) [> 3.9275 = 6.5458 < 8.5095] w=0.3782 to align # Constraint # added constraint: constraint((T0375)L9.CB, (T0375)N40.CB) [> 3.8400 = 6.4001 < 8.3201] w=0.3782 to align # Constraint # added constraint: constraint((T0375)S16.CB, (T0375)Q33.CB) [> 3.2228 = 5.3713 < 6.9828] w=0.3777 to align # Constraint # added constraint: constraint((T0375)I15.CB, (T0375)Q33.CB) [> 3.9950 = 6.6583 < 8.6558] w=0.3777 to align # Constraint # added constraint: constraint((T0375)I164.CB, (T0375)V193.CB) [> 3.2632 = 5.4387 < 7.0703] w=0.3776 to align # Constraint # added constraint: constraint((T0375)P93.CB, (T0375)D112.CB) [> 3.4117 = 5.6862 < 7.3920] w=0.3774 to align # Constraint # added constraint: constraint((T0375)A53.CB, (T0375)S267.CB) [> 3.5793 = 5.9655 < 7.7551] w=0.3752 to align # Constraint # added constraint: constraint((T0375)V145.CB, (T0375)Y183.CB) [> 3.8567 = 6.4278 < 8.3561] w=0.3738 to align # Constraint # added constraint: constraint((T0375)A62.CB, (T0375)V92.CB) [> 2.7364 = 4.5606 < 5.9288] w=0.3721 to align # Constraint # added constraint: constraint((T0375)A254.CB, (T0375)G284.CA) [> 4.0171 = 6.6952 < 8.7037] w=0.3705 to align # Constraint # added constraint: constraint((T0375)V10.CB, (T0375)V70.CB) [> 3.2581 = 5.4302 < 7.0593] w=0.3705 to align # Constraint # added constraint: constraint((T0375)I47.CB, (T0375)F264.CB) [> 4.2795 = 7.1325 < 9.2722] w=0.3705 to align # Constraint # added constraint: constraint((T0375)P246.CB, (T0375)G284.CA) [> 3.7680 = 6.2800 < 8.1640] w=0.3705 to align # Constraint # added constraint: constraint((T0375)I15.CB, (T0375)R34.CB) [> 2.9245 = 4.8742 < 6.3365] w=0.3705 to align # Constraint # added constraint: constraint((T0375)S16.CB, (T0375)S32.CB) [> 4.1899 = 6.9831 < 9.0780] w=0.3705 to align # Constraint # added constraint: constraint((T0375)V18.CB, (T0375)I99.CB) [> 3.9330 = 6.5551 < 8.5216] w=0.3705 to align # Constraint # added constraint: constraint((T0375)S240.CB, (T0375)R277.CB) [> 3.8911 = 6.4851 < 8.4306] w=0.3698 to align # Constraint # added constraint: constraint((T0375)G227.CA, (T0375)H239.CB) [> 4.1372 = 6.8953 < 8.9639] w=0.3695 to align # Constraint # added constraint: constraint((T0375)Q162.CB, (T0375)V186.CB) [> 4.2242 = 7.0402 < 9.1523] w=0.3671 to align # Constraint # added constraint: constraint((T0375)R174.CB, (T0375)H196.CB) [> 3.7726 = 6.2876 < 8.1739] w=0.3642 to align # Constraint # added constraint: constraint((T0375)A62.CB, (T0375)S91.CB) [> 2.9776 = 4.9626 < 6.4514] w=0.3641 to align # Constraint # added constraint: constraint((T0375)K132.CB, (T0375)Q158.CB) [> 3.8049 = 6.3415 < 8.2440] w=0.3625 to align # Constraint # added constraint: constraint((T0375)R37.CB, (T0375)V70.CB) [> 3.1450 = 5.2416 < 6.8141] w=0.3624 to align # Constraint # added constraint: constraint((T0375)R37.CB, (T0375)D73.CB) [> 2.9538 = 4.9230 < 6.3999] w=0.3624 to align # Constraint # added constraint: constraint((T0375)T257.CB, (T0375)G284.CA) [> 4.4422 = 7.4037 < 9.6248] w=0.3624 to align # Constraint # added constraint: constraint((T0375)D13.CB, (T0375)G39.CA) [> 4.4967 = 7.4945 < 9.7429] w=0.3624 to align # Constraint # added constraint: constraint((T0375)V10.CB, (T0375)V92.CB) [> 4.1095 = 6.8492 < 8.9039] w=0.3624 to align # Constraint # added constraint: constraint((T0375)L12.CB, (T0375)V66.CB) [> 2.9894 = 4.9823 < 6.4771] w=0.3624 to align # Constraint # added constraint: constraint((T0375)F57.CB, (T0375)T84.CB) [> 3.6983 = 6.1638 < 8.0129] w=0.3622 to align # Constraint # added constraint: constraint((T0375)F181.CB, (T0375)G216.CA) [> 3.7103 = 6.1838 < 8.0390] w=0.3621 to align # Constraint # added constraint: constraint((T0375)L206.CB, (T0375)L237.CB) [> 3.7763 = 6.2939 < 8.1821] w=0.3613 to align # Constraint # added constraint: constraint((T0375)M58.CB, (T0375)R82.CB) [> 3.3990 = 5.6650 < 7.3645] w=0.3576 to align # Constraint # added constraint: constraint((T0375)A67.CB, (T0375)V92.CB) [> 2.6776 = 4.4627 < 5.8015] w=0.3548 to align # Constraint # added constraint: constraint((T0375)S240.CB, (T0375)L276.CB) [> 3.2623 = 5.4371 < 7.0683] w=0.3544 to align # Constraint # added constraint: constraint((T0375)E161.CB, (T0375)D256.CB) [> 4.3246 = 7.2076 < 9.3699] w=0.3537 to align # Constraint # added constraint: constraint((T0375)A95.CB, (T0375)Y111.CB) [> 4.0514 = 6.7523 < 8.7780] w=0.3536 to align # Constraint # added constraint: constraint((T0375)A242.CB, (T0375)G284.CA) [> 3.4755 = 5.7925 < 7.5303] w=0.3534 to align # Constraint # added constraint: constraint((T0375)S44.CB, (T0375)E137.CB) [> 4.0524 = 6.7540 < 8.7802] w=0.3526 to align # Constraint # added constraint: constraint((T0375)M58.CB, (T0375)L81.CB) [> 4.1871 = 6.9784 < 9.0720] w=0.3509 to align # Constraint # added constraint: constraint((T0375)E161.CB, (T0375)V186.CB) [> 2.9606 = 4.9343 < 6.4146] w=0.3493 to align # Constraint # added constraint: constraint((T0375)S60.CB, (T0375)S114.CB) [> 3.1345 = 5.2241 < 6.7913] w=0.3490 to align # Constraint # added constraint: constraint((T0375)C6.CB, (T0375)E137.CB) [> 4.2269 = 7.0449 < 9.1584] w=0.3471 to align # Constraint # added constraint: constraint((T0375)R247.CB, (T0375)G288.CA) [> 3.9903 = 6.6505 < 8.6456] w=0.3463 to align # Constraint # added constraint: constraint((T0375)D250.CB, (T0375)G291.CA) [> 3.7427 = 6.2379 < 8.1092] w=0.3463 to align # Constraint # added constraint: constraint((T0375)G232.CA, (T0375)V272.CB) [> 4.1985 = 6.9974 < 9.0967] w=0.3463 to align # Constraint # added constraint: constraint((T0375)V14.CB, (T0375)R34.CB) [> 4.4541 = 7.4235 < 9.6506] w=0.3463 to align # Constraint # added constraint: constraint((T0375)L12.CB, (T0375)W35.CB) [> 3.7206 = 6.2010 < 8.0613] w=0.3463 to align # Constraint # added constraint: constraint((T0375)S16.CB, (T0375)I99.CB) [> 4.0560 = 6.7600 < 8.7880] w=0.3463 to align # Constraint # added constraint: constraint((T0375)I15.CB, (T0375)I99.CB) [> 3.8626 = 6.4376 < 8.3689] w=0.3463 to align # Constraint # added constraint: constraint((T0375)L12.CB, (T0375)A95.CB) [> 4.3434 = 7.2390 < 9.4107] w=0.3463 to align # Constraint # added constraint: constraint((T0375)V11.CB, (T0375)A95.CB) [> 3.1105 = 5.1841 < 6.7394] w=0.3463 to align # Constraint # added constraint: constraint((T0375)V18.CB, (T0375)I98.CB) [> 3.5187 = 5.8645 < 7.6238] w=0.3463 to align # Constraint # added constraint: constraint((T0375)D13.CB, (T0375)I94.CB) [> 4.4126 = 7.3544 < 9.5607] w=0.3463 to align # Constraint # added constraint: constraint((T0375)L9.CB, (T0375)G138.CA) [> 3.5857 = 5.9762 < 7.7691] w=0.3460 to align # Constraint # added constraint: constraint((T0375)P93.CB, (T0375)Y110.CB) [> 4.0974 = 6.8289 < 8.8776] w=0.3457 to align # Constraint # added constraint: constraint((T0375)V14.CB, (T0375)Q33.CB) [> 3.5119 = 5.8532 < 7.6091] w=0.3455 to align # Constraint # added constraint: constraint((T0375)I134.CB, (T0375)E161.CB) [> 4.2132 = 7.0219 < 9.1285] w=0.3452 to align # Constraint # added constraint: constraint((T0375)A141.CB, (T0375)P173.CB) [> 3.7500 = 6.2501 < 8.1251] w=0.3452 to align # Constraint # added constraint: constraint((T0375)V118.CB, (T0375)E143.CB) [> 3.7214 = 6.2023 < 8.0630] w=0.3446 to align # Constraint # added constraint: constraint((T0375)V262.CB, (T0375)F278.CB) [> 4.0013 = 6.6688 < 8.6694] w=0.3433 to align # Constraint # added constraint: constraint((T0375)C45.CB, (T0375)L74.CB) [> 4.0019 = 6.6699 < 8.6708] w=0.3415 to align # Constraint # added constraint: constraint((T0375)Q149.CB, (T0375)Y183.CB) [> 3.9274 = 6.5456 < 8.5093] w=0.3412 to align # Constraint # added constraint: constraint((T0375)Q144.CB, (T0375)L180.CB) [> 3.8567 = 6.4278 < 8.3561] w=0.3408 to align # Constraint # added constraint: constraint((T0375)V85.CB, (T0375)D122.CB) [> 3.8839 = 6.4732 < 8.4152] w=0.3406 to align # Constraint # added constraint: constraint((T0375)N40.CB, (T0375)R139.CB) [> 3.2594 = 5.4323 < 7.0620] w=0.3405 to align # Constraint # added constraint: constraint((T0375)V249.CB, (T0375)L289.CB) [> 3.7679 = 6.2798 < 8.1637] w=0.3383 to align # Constraint # added constraint: constraint((T0375)V249.CB, (T0375)Q290.CB) [> 3.4248 = 5.7080 < 7.4205] w=0.3383 to align # Constraint # added constraint: constraint((T0375)T257.CB, (T0375)K285.CB) [> 4.3152 = 7.1920 < 9.3496] w=0.3383 to align # Constraint # added constraint: constraint((T0375)A260.CB, (T0375)V282.CB) [> 3.8164 = 6.3607 < 8.2689] w=0.3383 to align # Constraint # added constraint: constraint((T0375)A67.CB, (T0375)Y83.CB) [> 4.2175 = 7.0292 < 9.1379] w=0.3378 to align # Constraint # added constraint: constraint((T0375)R165.CB, (T0375)V193.CB) [> 3.7310 = 6.2183 < 8.0839] w=0.3373 to align # Constraint # added constraint: constraint((T0375)E137.CB, (T0375)D256.CB) [> 4.0580 = 6.7634 < 8.7924] w=0.3373 to align # Constraint # added constraint: constraint((T0375)S42.CB, (T0375)V70.CB) [> 4.2835 = 7.1392 < 9.2810] w=0.3368 to align # Constraint # added constraint: constraint((T0375)A67.CB, (T0375)F86.CB) [> 3.8638 = 6.4397 < 8.3716] w=0.3362 to align # Constraint # added constraint: constraint((T0375)A41.CB, (T0375)I136.CB) [> 4.2910 = 7.1517 < 9.2972] w=0.3360 to align # Constraint # added constraint: constraint((T0375)K163.CB, (T0375)V189.CB) [> 4.2875 = 7.1458 < 9.2896] w=0.3358 to align # Constraint # added constraint: constraint((T0375)S2.CB, (T0375)A53.CB) [> 3.4620 = 5.7700 < 7.5009] w=0.3318 to align # Constraint # added constraint: constraint((T0375)K132.CB, (T0375)P159.CB) [> 4.0809 = 6.8015 < 8.8420] w=0.3306 to align # Constraint # added constraint: constraint((T0375)V70.CB, (T0375)V92.CB) [> 3.8510 = 6.4184 < 8.3439] w=0.3302 to align # Constraint # added constraint: constraint((T0375)L9.CB, (T0375)P93.CB) [> 3.6215 = 6.0358 < 7.8465] w=0.3302 to align # Constraint # added constraint: constraint((T0375)M58.CB, (T0375)V118.CB) [> 4.2874 = 7.1456 < 9.2893] w=0.3302 to align # Constraint # added constraint: constraint((T0375)V11.CB, (T0375)R37.CB) [> 4.5522 = 7.5870 < 9.8632] w=0.3302 to align # Constraint # added constraint: constraint((T0375)L12.CB, (T0375)V70.CB) [> 3.9046 = 6.5077 < 8.4600] w=0.3301 to align # Constraint # added constraint: constraint((T0375)A62.CB, (T0375)Q87.CB) [> 3.7927 = 6.3212 < 8.2176] w=0.3299 to align # Constraint # added constraint: constraint((T0375)R139.CB, (T0375)K163.CB) [> 4.0254 = 6.7090 < 8.7218] w=0.3298 to align # Constraint # added constraint: constraint((T0375)L9.CB, (T0375)E137.CB) [> 3.9904 = 6.6507 < 8.6459] w=0.3296 to align # Constraint # added constraint: constraint((T0375)A205.CB, (T0375)D229.CB) [> 3.4976 = 5.8294 < 7.5782] w=0.3296 to align # Constraint # added constraint: constraint((T0375)I136.CB, (T0375)K163.CB) [> 4.2170 = 7.0283 < 9.1368] w=0.3258 to align # Constraint # added constraint: constraint((T0375)V187.CB, (T0375)A217.CB) [> 3.2959 = 5.4931 < 7.1411] w=0.3252 to align # Constraint # added constraint: constraint((T0375)N40.CB, (T0375)E161.CB) [> 4.0438 = 6.7396 < 8.7615] w=0.3230 to align # Constraint # added constraint: constraint((T0375)V10.CB, (T0375)A41.CB) [> 3.7225 = 6.2041 < 8.0654] w=0.3222 to align # Constraint # added constraint: constraint((T0375)F181.CB, (T0375)R212.CB) [> 3.4932 = 5.8220 < 7.5686] w=0.3220 to align # Constraint # added constraint: constraint((T0375)C45.CB, (T0375)A56.CB) [> 4.4510 = 7.4183 < 9.6438] w=0.3217 to align # Constraint # added constraint: constraint((T0375)I98.CB, (T0375)I108.CB) [> 4.3754 = 7.2924 < 9.4801] w=0.3217 to align # Constraint # added constraint: constraint((T0375)I94.CB, (T0375)Y110.CB) [> 3.8210 = 6.3683 < 8.2788] w=0.3211 to align # Constraint # added constraint: constraint((T0375)V186.CB, (T0375)G216.CA) [> 4.3297 = 7.2162 < 9.3811] w=0.3210 to align # Constraint # added constraint: constraint((T0375)K163.CB, (T0375)F188.CB) [> 3.0512 = 5.0853 < 6.6108] w=0.3200 to align # Constraint # added constraint: constraint((T0375)A56.CB, (T0375)D127.CB) [> 3.9224 = 6.5373 < 8.4984] w=0.3183 to align # Constraint # added constraint: constraint((T0375)V187.CB, (T0375)R212.CB) [> 4.0191 = 6.6985 < 8.7081] w=0.3182 to align # Constraint # added constraint: constraint((T0375)R157.CB, (T0375)G184.CA) [> 4.3221 = 7.2035 < 9.3646] w=0.3174 to align # Constraint # added constraint: constraint((T0375)A62.CB, (T0375)G90.CA) [> 2.8905 = 4.8175 < 6.2628] w=0.3165 to align # Constraint # added constraint: constraint((T0375)G138.CA, (T0375)R165.CB) [> 3.5706 = 5.9510 < 7.7362] w=0.3165 to align # Constraint # added constraint: constraint((T0375)R139.CB, (T0375)R165.CB) [> 3.6354 = 6.0589 < 7.8766] w=0.3157 to align # Constraint # added constraint: constraint((T0375)P160.CB, (T0375)Y183.CB) [> 4.0267 = 6.7112 < 8.7246] w=0.3146 to align # Constraint # added constraint: constraint((T0375)I164.CB, (T0375)L197.CB) [> 3.8853 = 6.4756 < 8.4182] w=0.3143 to align # Constraint # added constraint: constraint((T0375)G253.CA, (T0375)F292.CB) [> 3.2175 = 5.3624 < 6.9712] w=0.3141 to align # Constraint # added constraint: constraint((T0375)N43.CB, (T0375)F292.CB) [> 3.2253 = 5.3755 < 6.9882] w=0.3141 to align # Constraint # added constraint: constraint((T0375)L17.CB, (T0375)I99.CB) [> 3.0317 = 5.0529 < 6.5688] w=0.3141 to align # Constraint # added constraint: constraint((T0375)P93.CB, (T0375)R113.CB) [> 3.2426 = 5.4043 < 7.0256] w=0.3134 to align # Constraint # added constraint: constraint((T0375)A62.CB, (T0375)T89.CB) [> 3.8550 = 6.4250 < 8.3526] w=0.3126 to align # Constraint # added constraint: constraint((T0375)E161.CB, (T0375)G184.CA) [> 4.3818 = 7.3029 < 9.4938] w=0.3106 to align # Constraint # added constraint: constraint((T0375)P160.CB, (T0375)F181.CB) [> 4.2897 = 7.1495 < 9.2944] w=0.3104 to align # Constraint # added constraint: constraint((T0375)S60.CB, (T0375)Q87.CB) [> 3.4926 = 5.8210 < 7.5673] w=0.3092 to align # Constraint # added constraint: constraint((T0375)A120.CB, (T0375)E143.CB) [> 3.5629 = 5.9382 < 7.7197] w=0.3074 to align # Constraint # added constraint: constraint((T0375)F131.CB, (T0375)I151.CB) [> 4.0867 = 6.8112 < 8.8545] w=0.3061 to align # Constraint # added constraint: constraint((T0375)G59.CA, (T0375)V118.CB) [> 3.3998 = 5.6663 < 7.3663] w=0.3061 to align # Constraint # added constraint: constraint((T0375)S60.CB, (T0375)L115.CB) [> 3.4472 = 5.7453 < 7.4689] w=0.3061 to align # Constraint # added constraint: constraint((T0375)A228.CB, (T0375)A242.CB) [> 4.2430 = 7.0717 < 9.1932] w=0.3061 to align # Constraint # added constraint: constraint((T0375)S60.CB, (T0375)D117.CB) [> 3.5025 = 5.8375 < 7.5888] w=0.3057 to align # Constraint # added constraint: constraint((T0375)T96.CB, (T0375)Y110.CB) [> 4.5204 = 7.5339 < 9.7941] w=0.3055 to align # Constraint # added constraint: constraint((T0375)P63.CB, (T0375)F86.CB) [> 3.4586 = 5.7643 < 7.4936] w=0.3054 to align # Constraint # added constraint: constraint((T0375)L238.CB, (T0375)Q273.CB) [> 3.8064 = 6.3440 < 8.2472] w=0.3054 to align # Constraint # added constraint: constraint((T0375)E161.CB, (T0375)G255.CA) [> 4.3322 = 7.2204 < 9.3865] w=0.3054 to align # Constraint # added constraint: constraint((T0375)A228.CB, (T0375)F258.CB) [> 4.3136 = 7.1893 < 9.3461] w=0.3053 to align # Constraint # added constraint: constraint((T0375)G182.CA, (T0375)K215.CB) [> 3.3057 = 5.5095 < 7.1623] w=0.3053 to align # Constraint # added constraint: constraint((T0375)L5.CB, (T0375)D127.CB) [> 4.1281 = 6.8801 < 8.9442] w=0.3027 to align # Constraint # added constraint: constraint((T0375)T46.CB, (T0375)L74.CB) [> 4.4209 = 7.3681 < 9.5785] w=0.3003 to align # Constraint # added constraint: constraint((T0375)I164.CB, (T0375)L177.CB) [> 3.3760 = 5.6268 < 7.3148] w=0.2996 to align # Constraint # added constraint: constraint((T0375)M61.CB, (T0375)Y83.CB) [> 2.9460 = 4.9100 < 6.3830] w=0.2993 to align # Constraint # added constraint: constraint((T0375)A41.CB, (T0375)D256.CB) [> 4.2053 = 7.0089 < 9.1115] w=0.2980 to align # Constraint # added constraint: constraint((T0375)L12.CB, (T0375)F69.CB) [> 4.0492 = 6.7486 < 8.7732] w=0.2980 to align # Constraint # added constraint: constraint((T0375)S16.CB, (T0375)T96.CB) [> 4.2162 = 7.0271 < 9.1352] w=0.2980 to align # Constraint # added constraint: constraint((T0375)G64.CA, (T0375)S91.CB) [> 3.9561 = 6.5936 < 8.5716] w=0.2976 to align # Constraint # added constraint: constraint((T0375)I134.CB, (T0375)L148.CB) [> 4.0708 = 6.7847 < 8.8201] w=0.2971 to align # Constraint # added constraint: constraint((T0375)I151.CB, (T0375)Y183.CB) [> 3.9577 = 6.5961 < 8.5750] w=0.2953 to align # Constraint # added constraint: constraint((T0375)M58.CB, (T0375)V126.CB) [> 3.8349 = 6.3914 < 8.3089] w=0.2949 to align # Constraint # added constraint: constraint((T0375)S190.CB, (T0375)A224.CB) [> 4.3396 = 7.2327 < 9.4025] w=0.2939 to align # Constraint # added constraint: constraint((T0375)Q162.CB, (T0375)G184.CA) [> 3.5484 = 5.9139 < 7.6881] w=0.2937 to align # Constraint # added constraint: constraint((T0375)A120.CB, (T0375)K146.CB) [> 3.2252 = 5.3753 < 6.9879] w=0.2915 to align # Constraint # added constraint: constraint((T0375)G64.CA, (T0375)V92.CB) [> 3.8845 = 6.4742 < 8.4164] w=0.2912 to align # Constraint # added constraint: constraint((T0375)F123.CB, (T0375)R150.CB) [> 3.4455 = 5.7425 < 7.4653] w=0.2900 to align # Constraint # added constraint: constraint((T0375)V66.CB, (T0375)I94.CB) [> 3.9047 = 6.5079 < 8.4602] w=0.2900 to align # Constraint # added constraint: constraint((T0375)P93.CB, (T0375)S114.CB) [> 3.6998 = 6.1664 < 8.0163] w=0.2900 to align # Constraint # added constraint: constraint((T0375)E225.CB, (T0375)A242.CB) [> 3.8907 = 6.4844 < 8.4298] w=0.2899 to align # Constraint # added constraint: constraint((T0375)S60.CB, (T0375)Y83.CB) [> 4.0489 = 6.7481 < 8.7725] w=0.2897 to align # Constraint # added constraint: constraint((T0375)M147.CB, (T0375)L180.CB) [> 3.7236 = 6.2060 < 8.0678] w=0.2865 to align # Constraint # added constraint: constraint((T0375)L206.CB, (T0375)C221.CB) [> 3.5896 = 5.9826 < 7.7775] w=0.2852 to align # Constraint # added constraint: constraint((T0375)V220.CB, (T0375)F258.CB) [> 4.5110 = 7.5183 < 9.7737] w=0.2819 to align # Constraint # added constraint: constraint((T0375)R37.CB, (T0375)T46.CB) [> 4.1358 = 6.8929 < 8.9608] w=0.2819 to align # Constraint # added constraint: constraint((T0375)G52.CA, (T0375)S78.CB) [> 3.4745 = 5.7908 < 7.5280] w=0.2816 to align # Constraint # added constraint: constraint((T0375)Q162.CB, (T0375)F181.CB) [> 4.1833 = 6.9722 < 9.0639] w=0.2810 to align # Constraint # added constraint: constraint((T0375)C55.CB, (T0375)R82.CB) [> 3.9616 = 6.6026 < 8.5834] w=0.2808 to align # Constraint # added constraint: constraint((T0375)I164.CB, (T0375)V189.CB) [> 3.3432 = 5.5719 < 7.2435] w=0.2806 to align # Constraint # added constraint: constraint((T0375)G208.CA, (T0375)L219.CB) [> 3.9180 = 6.5300 < 8.4889] w=0.2805 to align # Constraint # added constraint: constraint((T0375)A194.CB, (T0375)G208.CA) [> 4.0603 = 6.7672 < 8.7974] w=0.2784 to align # Constraint # added constraint: constraint((T0375)A67.CB, (T0375)V85.CB) [> 4.3231 = 7.2051 < 9.3667] w=0.2783 to align # Constraint # added constraint: constraint((T0375)S2.CB, (T0375)W133.CB) [> 4.1154 = 6.8590 < 8.9167] w=0.2780 to align # Constraint # added constraint: constraint((T0375)I164.CB, (T0375)V187.CB) [> 4.0835 = 6.8058 < 8.8475] w=0.2772 to align # Constraint # added constraint: constraint((T0375)L50.CB, (T0375)Y77.CB) [> 3.9736 = 6.6227 < 8.6095] w=0.2763 to align # Constraint # added constraint: constraint((T0375)F131.CB, (T0375)Q158.CB) [> 3.4891 = 5.8152 < 7.5598] w=0.2753 to align # Constraint # added constraint: constraint((T0375)G227.CA, (T0375)C280.CB) [> 3.7785 = 6.2975 < 8.1867] w=0.2738 to align # Constraint # added constraint: constraint((T0375)L51.CB, (T0375)V282.CB) [> 4.1350 = 6.8916 < 8.9591] w=0.2738 to align # Constraint # added constraint: constraint((T0375)G38.CA, (T0375)A95.CB) [> 4.2837 = 7.1395 < 9.2813] w=0.2738 to align # Constraint # added constraint: constraint((T0375)M61.CB, (T0375)S114.CB) [> 3.2383 = 5.3972 < 7.0164] w=0.2734 to align # Constraint # added constraint: constraint((T0375)R157.CB, (T0375)L266.CB) [> 3.8184 = 6.3641 < 8.2733] w=0.2732 to align # Constraint # added constraint: constraint((T0375)L17.CB, (T0375)S32.CB) [> 3.0111 = 5.0185 < 6.5241] w=0.2658 to align # Constraint # added constraint: constraint((T0375)D256.CB, (T0375)F292.CB) [> 4.1349 = 6.8915 < 8.9589] w=0.2658 to align # Constraint # added constraint: constraint((T0375)G38.CA, (T0375)F292.CB) [> 3.3510 = 5.5850 < 7.2606] w=0.2658 to align # Constraint # added constraint: constraint((T0375)V10.CB, (T0375)F57.CB) [> 4.2433 = 7.0721 < 9.1938] w=0.2658 to align # Constraint # added constraint: constraint((T0375)K191.CB, (T0375)A205.CB) [> 4.1096 = 6.8493 < 8.9040] w=0.2621 to align # Constraint # added constraint: constraint((T0375)A62.CB, (T0375)S114.CB) [> 2.8387 = 4.7312 < 6.1506] w=0.2600 to align # Constraint # added constraint: constraint((T0375)V187.CB, (T0375)L209.CB) [> 3.9490 = 6.5817 < 8.5562] w=0.2595 to align # Constraint # added constraint: constraint((T0375)H135.CB, (T0375)Q162.CB) [> 4.5187 = 7.5312 < 9.7906] w=0.2580 to align # Constraint # added constraint: constraint((T0375)L9.CB, (T0375)L115.CB) [> 2.5159 = 4.1932 < 5.4512] w=0.2577 to align # Constraint # added constraint: constraint((T0375)S16.CB, (T0375)C30.CB) [> 2.9974 = 4.9957 < 6.4944] w=0.2577 to align # Constraint # added constraint: constraint((T0375)V166.CB, (T0375)V193.CB) [> 3.7280 = 6.2133 < 8.0773] w=0.2574 to align # Constraint # added constraint: constraint((T0375)T96.CB, (T0375)T107.CB) [> 3.8567 = 6.4278 < 8.3561] w=0.2573 to align # Constraint # added constraint: constraint((T0375)Y210.CB, (T0375)G232.CA) [> 3.9638 = 6.6063 < 8.5882] w=0.2567 to align # Constraint # added constraint: constraint((T0375)N140.CB, (T0375)P173.CB) [> 3.9787 = 6.6311 < 8.6205] w=0.2549 to align # Constraint # added constraint: constraint((T0375)T84.CB, (T0375)V126.CB) [> 3.5492 = 5.9154 < 7.6901] w=0.2514 to align # Constraint # added constraint: constraint((T0375)P93.CB, (T0375)L115.CB) [> 3.0129 = 5.0215 < 6.5279] w=0.2497 to align # Constraint # added constraint: constraint((T0375)Q36.CB, (T0375)F292.CB) [> 3.9882 = 6.6470 < 8.6411] w=0.2497 to align # Constraint # added constraint: constraint((T0375)D19.CB, (T0375)N100.CB) [> 3.8775 = 6.4625 < 8.4013] w=0.2497 to align # Constraint # added constraint: constraint((T0375)I47.CB, (T0375)K286.CB) [> 4.4044 = 7.3407 < 9.5429] w=0.2497 to align # Constraint # added constraint: constraint((T0375)N259.CB, (T0375)G279.CA) [> 4.5729 = 7.6215 < 9.9079] w=0.2497 to align # Constraint # added constraint: constraint((T0375)S91.CB, (T0375)S114.CB) [> 3.7584 = 6.2639 < 8.1431] w=0.2497 to align # Constraint # added constraint: constraint((T0375)V18.CB, (T0375)N100.CB) [> 3.1246 = 5.2077 < 6.7701] w=0.2497 to align # Constraint # added constraint: constraint((T0375)S2.CB, (T0375)S267.CB) [> 2.9392 = 4.8987 < 6.3683] w=0.2497 to align # Constraint # added constraint: constraint((T0375)A224.CB, (T0375)T251.CB) [> 4.0869 = 6.8114 < 8.8548] w=0.2495 to align # Constraint # added constraint: constraint((T0375)K191.CB, (T0375)A202.CB) [> 3.7406 = 6.2343 < 8.1045] w=0.2494 to align # Constraint # added constraint: constraint((T0375)F131.CB, (T0375)H154.CB) [> 4.2909 = 7.1514 < 9.2969] w=0.2488 to align # Constraint # added constraint: constraint((T0375)P160.CB, (T0375)L177.CB) [> 4.2648 = 7.1079 < 9.2403] w=0.2473 to align # Constraint # added constraint: constraint((T0375)G253.CA, (T0375)G291.CA) [> 4.5497 = 7.5828 < 9.8576] w=0.2416 to align # Constraint # added constraint: constraint((T0375)S261.CB, (T0375)A275.CB) [> 4.6843 = 7.8071 < 10.1493] w=0.2416 to align # Constraint # added constraint: constraint((T0375)I15.CB, (T0375)W35.CB) [> 4.5261 = 7.5434 < 9.8064] w=0.2416 to align # Constraint # added constraint: constraint((T0375)G208.CA, (T0375)L231.CB) [> 3.7512 = 6.2520 < 8.1276] w=0.2411 to align # Constraint # added constraint: constraint((T0375)A141.CB, (T0375)E176.CB) [> 3.1881 = 5.3134 < 6.9075] w=0.2394 to align # Constraint # added constraint: constraint((T0375)I47.CB, (T0375)N259.CB) [> 4.4508 = 7.4180 < 9.6434] w=0.2386 to align # Constraint # added constraint: constraint((T0375)G8.CA, (T0375)S60.CB) [> 4.0027 = 6.6711 < 8.6725] w=0.2382 to align # Constraint # added constraint: constraint((T0375)C55.CB, (T0375)L81.CB) [> 3.4646 = 5.7743 < 7.5066] w=0.2375 to align # Constraint # added constraint: constraint((T0375)R150.CB, (T0375)Y183.CB) [> 3.1902 = 5.3170 < 6.9121] w=0.2370 to align # Constraint # added constraint: constraint((T0375)A62.CB, (T0375)V85.CB) [> 3.9764 = 6.6273 < 8.6154] w=0.2359 to align # Constraint # added constraint: constraint((T0375)Q36.CB, (T0375)G291.CA) [> 3.2698 = 5.4497 < 7.0846] w=0.2336 to align # Constraint # added constraint: constraint((T0375)L252.CB, (T0375)G291.CA) [> 4.3300 = 7.2167 < 9.3817] w=0.2336 to align # Constraint # added constraint: constraint((T0375)C45.CB, (T0375)H135.CB) [> 4.2871 = 7.1452 < 9.2888] w=0.2335 to align # Constraint # added constraint: constraint((T0375)P22.CB, (T0375)I98.CB) [> 3.8568 = 6.4279 < 8.3563] w=0.2334 to align # Constraint # added constraint: constraint((T0375)I4.CB, (T0375)C45.CB) [> 4.3235 = 7.2059 < 9.3676] w=0.2332 to align # Constraint # added constraint: constraint((T0375)S16.CB, (T0375)R34.CB) [> 4.4573 = 7.4289 < 9.6576] w=0.2332 to align # Constraint # added constraint: constraint((T0375)G8.CA, (T0375)N140.CB) [> 3.1058 = 5.1764 < 6.7294] w=0.2271 to align # Constraint # added constraint: constraint((T0375)A224.CB, (T0375)A254.CB) [> 4.2936 = 7.1561 < 9.3029] w=0.2254 to align # Constraint # added constraint: constraint((T0375)L209.CB, (T0375)C221.CB) [> 3.5578 = 5.9296 < 7.7085] w=0.2249 to align # Constraint # added constraint: constraint((T0375)A56.CB, (T0375)T84.CB) [> 3.9369 = 6.5616 < 8.5301] w=0.2240 to align # Constraint # added constraint: constraint((T0375)M58.CB, (T0375)I134.CB) [> 3.8512 = 6.4186 < 8.3442] w=0.2219 to align # Constraint # added constraint: constraint((T0375)G138.CA, (T0375)P160.CB) [> 4.1290 = 6.8817 < 8.9462] w=0.2188 to align # Constraint # added constraint: constraint((T0375)V7.CB, (T0375)N140.CB) [> 3.9711 = 6.6184 < 8.6040] w=0.2183 to align # Constraint # added constraint: constraint((T0375)L17.CB, (T0375)N100.CB) [> 4.3085 = 7.1807 < 9.3350] w=0.2175 to align # Constraint # added constraint: constraint((T0375)G38.CA, (T0375)V70.CB) [> 4.3896 = 7.3160 < 9.5108] w=0.2173 to align # Constraint # added constraint: constraint((T0375)G138.CA, (T0375)V166.CB) [> 3.9808 = 6.6347 < 8.6251] w=0.2166 to align # Constraint # added constraint: constraint((T0375)Q162.CB, (T0375)S190.CB) [> 4.3244 = 7.2073 < 9.3695] w=0.2165 to align # Constraint # added constraint: constraint((T0375)I164.CB, (T0375)P173.CB) [> 3.5079 = 5.8464 < 7.6004] w=0.2146 to align # Constraint # added constraint: constraint((T0375)F57.CB, (T0375)H135.CB) [> 3.6349 = 6.0581 < 7.8756] w=0.2139 to align # Constraint # added constraint: constraint((T0375)A222.CB, (T0375)A283.CB) [> 4.4360 = 7.3934 < 9.6114] w=0.2134 to align # Constraint # added constraint: constraint((T0375)V118.CB, (T0375)Q144.CB) [> 3.5050 = 5.8417 < 7.5942] w=0.2131 to align # Constraint # added constraint: constraint((T0375)V7.CB, (T0375)Q144.CB) [> 4.1582 = 6.9303 < 9.0095] w=0.2108 to align # Constraint # added constraint: constraint((T0375)L17.CB, (T0375)C30.CB) [> 4.0061 = 6.6768 < 8.6798] w=0.2102 to align # Constraint # added constraint: constraint((T0375)L238.CB, (T0375)L276.CB) [> 3.8112 = 6.3520 < 8.2576] w=0.2094 to align # Constraint # added constraint: constraint((T0375)G39.CA, (T0375)A95.CB) [> 4.4194 = 7.3657 < 9.5755] w=0.2094 to align # Constraint # added constraint: constraint((T0375)E226.CB, (T0375)F243.CB) [> 4.1965 = 6.9942 < 9.0924] w=0.2094 to align # Constraint # added constraint: constraint((T0375)A41.CB, (T0375)N140.CB) [> 4.1749 = 6.9581 < 9.0456] w=0.2094 to align # Constraint # added constraint: constraint((T0375)V213.CB, (T0375)L231.CB) [> 3.3698 = 5.6164 < 7.3013] w=0.2091 to align # Constraint # added constraint: constraint((T0375)S167.CB, (T0375)H196.CB) [> 3.3002 = 5.5004 < 7.1505] w=0.2091 to align # Constraint # added constraint: constraint((T0375)N140.CB, (T0375)V166.CB) [> 3.6949 = 6.1582 < 8.0057] w=0.2088 to align # Constraint # added constraint: constraint((T0375)A228.CB, (T0375)F243.CB) [> 4.4131 = 7.3551 < 9.5616] w=0.2088 to align # Constraint # added constraint: constraint((T0375)A228.CB, (T0375)D241.CB) [> 3.3083 = 5.5139 < 7.1680] w=0.2088 to align # Constraint # added constraint: constraint((T0375)V220.CB, (T0375)N259.CB) [> 4.0095 = 6.6824 < 8.6872] w=0.2070 to align # Constraint # added constraint: constraint((T0375)G138.CA, (T0375)P173.CB) [> 4.4030 = 7.3383 < 9.5397] w=0.2045 to align # Constraint # added constraint: constraint((T0375)L5.CB, (T0375)Q130.CB) [> 4.4930 = 7.4883 < 9.7347] w=0.2038 to align # Constraint # added constraint: constraint((T0375)G1.CA, (T0375)P54.CB) [> 3.6116 = 6.0193 < 7.8251] w=0.2036 to align # Constraint # added constraint: constraint((T0375)V97.CB, (T0375)L252.CB) [> 3.9737 = 6.6229 < 8.6098] w=0.2014 to align # Constraint # added constraint: constraint((T0375)R212.CB, (T0375)L231.CB) [> 4.0322 = 6.7203 < 8.7364] w=0.2014 to align # Constraint # added constraint: constraint((T0375)V11.CB, (T0375)Y110.CB) [> 4.2751 = 7.1251 < 9.2627] w=0.2014 to align # Constraint # added constraint: constraint((T0375)T96.CB, (T0375)Y111.CB) [> 4.0628 = 6.7714 < 8.8028] w=0.2006 to align # Constraint # added constraint: constraint((T0375)L48.CB, (T0375)S267.CB) [> 4.4503 = 7.4172 < 9.6424] w=0.2004 to align # Constraint # added constraint: constraint((T0375)G59.CA, (T0375)R82.CB) [> 4.3885 = 7.3142 < 9.5085] w=0.2002 to align # Constraint # added constraint: constraint((T0375)R157.CB, (T0375)S267.CB) [> 4.1299 = 6.8832 < 8.9481] w=0.1999 to align # Constraint # added constraint: constraint((T0375)I164.CB, (T0375)F188.CB) [> 4.0954 = 6.8257 < 8.8735] w=0.1986 to align # Constraint # added constraint: constraint((T0375)M58.CB, (T0375)H135.CB) [> 3.9130 = 6.5216 < 8.4781] w=0.1983 to align # Constraint # added constraint: constraint((T0375)G138.CA, (T0375)L177.CB) [> 4.1028 = 6.8381 < 8.8895] w=0.1959 to align # Constraint # added constraint: constraint((T0375)G59.CA, (T0375)E137.CB) [> 3.5346 = 5.8909 < 7.6582] w=0.1956 to align # Constraint # added constraint: constraint((T0375)G59.CA, (T0375)I136.CB) [> 3.9423 = 6.5705 < 8.5416] w=0.1956 to align # Constraint # added constraint: constraint((T0375)L48.CB, (T0375)H135.CB) [> 4.3749 = 7.2915 < 9.4790] w=0.1955 to align # Constraint # added constraint: constraint((T0375)G255.CA, (T0375)K286.CB) [> 4.5784 = 7.6306 < 9.9198] w=0.1933 to align # Constraint # added constraint: constraint((T0375)A41.CB, (T0375)M58.CB) [> 3.9289 = 6.5482 < 8.5127] w=0.1933 to align # Constraint # added constraint: constraint((T0375)C45.CB, (T0375)Y77.CB) [> 4.1698 = 6.9497 < 9.0346] w=0.1918 to align # Constraint # added constraint: constraint((T0375)R165.CB, (T0375)V189.CB) [> 4.1211 = 6.8685 < 8.9291] w=0.1880 to align # Constraint # added constraint: constraint((T0375)P54.CB, (T0375)V79.CB) [> 4.0467 = 6.7445 < 8.7679] w=0.1873 to align # Constraint # added constraint: constraint((T0375)V18.CB, (T0375)C30.CB) [> 3.3904 = 5.6506 < 7.3458] w=0.1869 to align # Constraint # added constraint: constraint((T0375)C55.CB, (T0375)K132.CB) [> 3.4372 = 5.7287 < 7.4472] w=0.1858 to align # Constraint # added constraint: constraint((T0375)I15.CB, (T0375)G291.CA) [> 3.7004 = 6.1674 < 8.0176] w=0.1852 to align # Constraint # added constraint: constraint((T0375)A202.CB, (T0375)H239.CB) [> 4.1274 = 6.8790 < 8.9426] w=0.1852 to align # Constraint # added constraint: constraint((T0375)D13.CB, (T0375)T96.CB) [> 4.3116 = 7.1860 < 9.3418] w=0.1852 to align # Constraint # added constraint: constraint((T0375)I94.CB, (T0375)L109.CB) [> 3.8347 = 6.3911 < 8.3085] w=0.1848 to align # Constraint # added constraint: constraint((T0375)E225.CB, (T0375)V248.CB) [> 4.3840 = 7.3066 < 9.4986] w=0.1847 to align # Constraint # added constraint: constraint((T0375)V213.CB, (T0375)P233.CB) [> 3.7643 = 6.2738 < 8.1559] w=0.1847 to align # Constraint # added constraint: constraint((T0375)A217.CB, (T0375)P233.CB) [> 3.7434 = 6.2390 < 8.1107] w=0.1845 to align # Constraint # added constraint: constraint((T0375)F57.CB, (T0375)I134.CB) [> 3.8900 = 6.4833 < 8.4283] w=0.1828 to align # Constraint # added constraint: constraint((T0375)P54.CB, (T0375)R82.CB) [> 3.6318 = 6.0529 < 7.8688] w=0.1828 to align # Constraint # added constraint: constraint((T0375)Q144.CB, (T0375)E176.CB) [> 4.0170 = 6.6951 < 8.7036] w=0.1805 to align # Constraint # added constraint: constraint((T0375)G59.CA, (T0375)L81.CB) [> 3.8683 = 6.4472 < 8.3813] w=0.1798 to align # Constraint # added constraint: constraint((T0375)L5.CB, (T0375)I151.CB) [> 4.4640 = 7.4400 < 9.6720] w=0.1785 to align # Constraint # added constraint: constraint((T0375)S60.CB, (T0375)E137.CB) [> 3.3767 = 5.6279 < 7.3163] w=0.1780 to align # Constraint # added constraint: constraint((T0375)L17.CB, (T0375)Q33.CB) [> 4.1182 = 6.8636 < 8.9227] w=0.1775 to align # Constraint # added constraint: constraint((T0375)P244.CB, (T0375)G284.CA) [> 3.8643 = 6.4405 < 8.3727] w=0.1772 to align # Constraint # added constraint: constraint((T0375)A224.CB, (T0375)A242.CB) [> 4.5219 = 7.5366 < 9.7975] w=0.1772 to align # Constraint # added constraint: constraint((T0375)F181.CB, (T0375)L209.CB) [> 4.2033 = 7.0055 < 9.1072] w=0.1769 to align # Constraint # added constraint: constraint((T0375)A53.CB, (T0375)Q268.CB) [> 3.7998 = 6.3330 < 8.2328] w=0.1769 to align # Constraint # added constraint: constraint((T0375)Q162.CB, (T0375)A194.CB) [> 4.4616 = 7.4360 < 9.6668] w=0.1765 to align # Constraint # added constraint: constraint((T0375)A242.CB, (T0375)Q281.CB) [> 3.8366 = 6.3943 < 8.3126] w=0.1765 to align # Constraint # added constraint: constraint((T0375)Q144.CB, (T0375)P160.CB) [> 4.2299 = 7.0499 < 9.1648] w=0.1765 to align # Constraint # added constraint: constraint((T0375)V66.CB, (T0375)E137.CB) [> 3.4360 = 5.7267 < 7.4447] w=0.1728 to align # Constraint # added constraint: constraint((T0375)I164.CB, (T0375)S190.CB) [> 4.0427 = 6.7379 < 8.7592] w=0.1717 to align # Constraint # added constraint: constraint((T0375)H239.CB, (T0375)L276.CB) [> 3.9435 = 6.5726 < 8.5443] w=0.1691 to align # Constraint # added constraint: constraint((T0375)V10.CB, (T0375)Y83.CB) [> 4.2710 = 7.1183 < 9.2538] w=0.1691 to align # Constraint # added constraint: constraint((T0375)D13.CB, (T0375)G291.CA) [> 4.0039 = 6.6731 < 8.6751] w=0.1691 to align # Constraint # added constraint: constraint((T0375)L9.CB, (T0375)D112.CB) [> 4.1473 = 6.9122 < 8.9858] w=0.1691 to align # Constraint # added constraint: constraint((T0375)V18.CB, (T0375)I28.CB) [> 3.4114 = 5.6858 < 7.3915] w=0.1691 to align # Constraint # added constraint: constraint((T0375)T257.CB, (T0375)C287.CB) [> 4.7079 = 7.8465 < 10.2004] w=0.1691 to align # Constraint # added constraint: constraint((T0375)V213.CB, (T0375)G232.CA) [> 3.3870 = 5.6449 < 7.3384] w=0.1688 to align # Constraint # added constraint: constraint((T0375)L17.CB, (T0375)L31.CB) [> 3.7249 = 6.2082 < 8.0706] w=0.1686 to align # Constraint # added constraint: constraint((T0375)G138.CA, (T0375)E169.CB) [> 3.7155 = 6.1926 < 8.0503] w=0.1684 to align # Constraint # added constraint: constraint((T0375)R139.CB, (T0375)E169.CB) [> 3.8682 = 6.4471 < 8.3812] w=0.1661 to align # Constraint # added constraint: constraint((T0375)F123.CB, (T0375)I151.CB) [> 3.8570 = 6.4283 < 8.3568] w=0.1631 to align # Constraint # added constraint: constraint((T0375)D19.CB, (T0375)E101.CB) [> 3.5442 = 5.9070 < 7.6791] w=0.1611 to align # Constraint # added constraint: constraint((T0375)R106.CB, (T0375)L252.CB) [> 3.7580 = 6.2633 < 8.1423] w=0.1611 to align # Constraint # added constraint: constraint((T0375)S44.CB, (T0375)C55.CB) [> 4.6136 = 7.6894 < 9.9962] w=0.1611 to align # Constraint # added constraint: constraint((T0375)A95.CB, (T0375)T107.CB) [> 3.7163 = 6.1938 < 8.0520] w=0.1609 to align # Constraint # added constraint: constraint((T0375)G182.CA, (T0375)V213.CB) [> 2.8371 = 4.7285 < 6.1471] w=0.1608 to align # Constraint # added constraint: constraint((T0375)L9.CB, (T0375)A141.CB) [> 3.1470 = 5.2450 < 6.8186] w=0.1607 to align # Constraint # added constraint: constraint((T0375)V97.CB, (T0375)L109.CB) [> 4.2367 = 7.0612 < 9.1796] w=0.1605 to align # Constraint # added constraint: constraint((T0375)F57.CB, (T0375)F131.CB) [> 3.7785 = 6.2976 < 8.1869] w=0.1599 to align # Constraint # added constraint: constraint((T0375)C45.CB, (T0375)L81.CB) [> 3.4896 = 5.8160 < 7.5608] w=0.1594 to align # Constraint # added constraint: constraint((T0375)A222.CB, (T0375)N259.CB) [> 4.0384 = 6.7306 < 8.7498] w=0.1586 to align # Constraint # added constraint: constraint((T0375)P63.CB, (T0375)V85.CB) [> 3.6617 = 6.1028 < 7.9336] w=0.1550 to align # Constraint # added constraint: constraint((T0375)Q36.CB, (T0375)D73.CB) [> 4.2568 = 7.0946 < 9.2230] w=0.1530 to align # Constraint # added constraint: constraint((T0375)F243.CB, (T0375)Q281.CB) [> 4.0422 = 6.7370 < 8.7581] w=0.1530 to align # Constraint # added constraint: constraint((T0375)V218.CB, (T0375)L266.CB) [> 4.3360 = 7.2266 < 9.3946] w=0.1530 to align # Constraint # added constraint: constraint((T0375)M61.CB, (T0375)P93.CB) [> 4.2290 = 7.0483 < 9.1628] w=0.1530 to align # Constraint # added constraint: constraint((T0375)E225.CB, (T0375)P246.CB) [> 4.1277 = 6.8796 < 8.9435] w=0.1528 to align # Constraint # added constraint: constraint((T0375)G182.CA, (T0375)R214.CB) [> 3.6012 = 6.0019 < 7.8025] w=0.1527 to align # Constraint # added constraint: constraint((T0375)L209.CB, (T0375)L237.CB) [> 4.1524 = 6.9207 < 8.9969] w=0.1527 to align # Constraint # added constraint: constraint((T0375)V218.CB, (T0375)P233.CB) [> 4.1298 = 6.8830 < 8.9479] w=0.1523 to align # Constraint # added constraint: constraint((T0375)L51.CB, (T0375)Q268.CB) [> 3.9966 = 6.6609 < 8.6592] w=0.1521 to align # Constraint # added constraint: constraint((T0375)V189.CB, (T0375)L209.CB) [> 4.2857 = 7.1428 < 9.2856] w=0.1466 to align # Constraint # added constraint: constraint((T0375)T46.CB, (T0375)D73.CB) [> 4.2325 = 7.0542 < 9.1704] w=0.1464 to align # Constraint # added constraint: constraint((T0375)Y21.CB, (T0375)I98.CB) [> 3.7411 = 6.2352 < 8.1057] w=0.1450 to align # Constraint # added constraint: constraint((T0375)V10.CB, (T0375)A67.CB) [> 4.4261 = 7.3769 < 9.5899] w=0.1450 to align # Constraint # added constraint: constraint((T0375)F264.CB, (T0375)V282.CB) [> 4.6033 = 7.6721 < 9.9738] w=0.1450 to align # Constraint # added constraint: constraint((T0375)L238.CB, (T0375)V272.CB) [> 3.6021 = 6.0035 < 7.8046] w=0.1450 to align # Constraint # added constraint: constraint((T0375)A230.CB, (T0375)A275.CB) [> 4.1306 = 6.8844 < 8.9497] w=0.1450 to align # Constraint # added constraint: constraint((T0375)F181.CB, (T0375)A217.CB) [> 3.5377 = 5.8961 < 7.6649] w=0.1450 to align # Constraint # added constraint: constraint((T0375)C55.CB, (T0375)H135.CB) [> 4.2826 = 7.1377 < 9.2790] w=0.1449 to align # Constraint # added constraint: constraint((T0375)P93.CB, (T0375)L109.CB) [> 4.1912 = 6.9853 < 9.0809] w=0.1448 to align # Constraint # added constraint: constraint((T0375)I94.CB, (T0375)R113.CB) [> 4.0905 = 6.8175 < 8.8627] w=0.1447 to align # Constraint # added constraint: constraint((T0375)A56.CB, (T0375)L128.CB) [> 3.7775 = 6.2958 < 8.1846] w=0.1447 to align # Constraint # added constraint: constraint((T0375)S49.CB, (T0375)L81.CB) [> 3.0345 = 5.0574 < 6.5747] w=0.1437 to align # Constraint # added constraint: constraint((T0375)G59.CA, (T0375)H135.CB) [> 3.5011 = 5.8351 < 7.5857] w=0.1435 to align # Constraint # added constraint: constraint((T0375)L209.CB, (T0375)V220.CB) [> 4.1771 = 6.9619 < 9.0505] w=0.1419 to align # Constraint # added constraint: constraint((T0375)N140.CB, (T0375)E169.CB) [> 4.1048 = 6.8413 < 8.8937] w=0.1401 to align # Constraint # added constraint: constraint((T0375)M61.CB, (T0375)G138.CA) [> 3.9429 = 6.5714 < 8.5429] w=0.1396 to align # Constraint # added constraint: constraint((T0375)P63.CB, (T0375)S91.CB) [> 3.7460 = 6.2433 < 8.1163] w=0.1379 to align # Constraint # added constraint: constraint((T0375)I99.CB, (T0375)D250.CB) [> 3.6198 = 6.0330 < 7.8429] w=0.1369 to align # Constraint # added constraint: constraint((T0375)L5.CB, (T0375)Y83.CB) [> 4.5446 = 7.5744 < 9.8467] w=0.1366 to align # Constraint # added constraint: constraint((T0375)S240.CB, (T0375)Q281.CB) [> 3.8043 = 6.3405 < 8.2426] w=0.1363 to align # Constraint # added constraint: constraint((T0375)M58.CB, (T0375)M147.CB) [> 4.4067 = 7.3445 < 9.5479] w=0.1361 to align # Constraint # added constraint: constraint((T0375)S60.CB, (T0375)A141.CB) [> 3.7614 = 6.2690 < 8.1497] w=0.1361 to align # Constraint # added constraint: constraint((T0375)D185.CB, (T0375)L266.CB) [> 4.0618 = 6.7697 < 8.8006] w=0.1360 to align # Constraint # added constraint: constraint((T0375)S60.CB, (T0375)G138.CA) [> 3.4137 = 5.6896 < 7.3965] w=0.1359 to align # Constraint # added constraint: constraint((T0375)A56.CB, (T0375)I134.CB) [> 3.4614 = 5.7691 < 7.4998] w=0.1350 to align # Constraint # added constraint: constraint((T0375)A56.CB, (T0375)H135.CB) [> 4.2477 = 7.0795 < 9.2034] w=0.1350 to align # Constraint # added constraint: constraint((T0375)M58.CB, (T0375)E137.CB) [> 4.1933 = 6.9887 < 9.0854] w=0.1323 to align # Constraint # added constraint: constraint((T0375)Y183.CB, (T0375)K215.CB) [> 3.6687 = 6.1144 < 7.9488] w=0.1316 to align # Constraint # added constraint: constraint((T0375)V166.CB, (T0375)D192.CB) [> 4.1764 = 6.9607 < 9.0489] w=0.1308 to align # Constraint # added constraint: constraint((T0375)G52.CA, (T0375)V79.CB) [> 4.3867 = 7.3112 < 9.5045] w=0.1296 to align # Constraint # added constraint: constraint((T0375)S60.CB, (T0375)I136.CB) [> 3.6307 = 6.0511 < 7.8665] w=0.1292 to align # Constraint # added constraint: constraint((T0375)K132.CB, (T0375)N155.CB) [> 4.0560 = 6.7600 < 8.7879] w=0.1287 to align # Constraint # added constraint: constraint((T0375)G39.CA, (T0375)G253.CA) [> 3.8957 = 6.4928 < 8.4406] w=0.1287 to align # Constraint # added constraint: constraint((T0375)F178.CB, (T0375)R212.CB) [> 3.8320 = 6.3867 < 8.3027] w=0.1282 to align # Constraint # added constraint: constraint((T0375)R247.CB, (T0375)C287.CB) [> 4.4154 = 7.3590 < 9.5667] w=0.1282 to align # Constraint # added constraint: constraint((T0375)L5.CB, (T0375)V126.CB) [> 3.7380 = 6.2300 < 8.0989] w=0.1281 to align # Constraint # added constraint: constraint((T0375)G8.CA, (T0375)S44.CB) [> 4.1733 = 6.9556 < 9.0422] w=0.1253 to align # Constraint # added constraint: constraint((T0375)S119.CB, (T0375)Q144.CB) [> 3.9461 = 6.5768 < 8.5499] w=0.1250 to align # Constraint # added constraint: constraint((T0375)I15.CB, (T0375)D250.CB) [> 4.0993 = 6.8322 < 8.8819] w=0.1208 to align # Constraint # added constraint: constraint((T0375)R106.CB, (T0375)T251.CB) [> 3.8777 = 6.4629 < 8.4017] w=0.1208 to align # Constraint # added constraint: constraint((T0375)K236.CB, (T0375)V272.CB) [> 4.1436 = 6.9061 < 8.9779] w=0.1208 to align # Constraint # added constraint: constraint((T0375)N40.CB, (T0375)G255.CA) [> 4.7130 = 7.8550 < 10.2115] w=0.1208 to align # Constraint # added constraint: constraint((T0375)G253.CA, (T0375)A283.CB) [> 4.7411 = 7.9018 < 10.2723] w=0.1208 to align # Constraint # added constraint: constraint((T0375)T251.CB, (T0375)K286.CB) [> 4.6322 = 7.7203 < 10.0364] w=0.1208 to align # Constraint # added constraint: constraint((T0375)D13.CB, (T0375)L252.CB) [> 4.2659 = 7.1098 < 9.2427] w=0.1208 to align # Constraint # added constraint: constraint((T0375)I15.CB, (T0375)L252.CB) [> 4.4971 = 7.4952 < 9.7438] w=0.1208 to align # Constraint # added constraint: constraint((T0375)T96.CB, (T0375)R106.CB) [> 3.6901 = 6.1502 < 7.9953] w=0.1207 to align # Constraint # added constraint: constraint((T0375)L5.CB, (T0375)M147.CB) [> 4.5390 = 7.5650 < 9.8345] w=0.1206 to align # Constraint # added constraint: constraint((T0375)L238.CB, (T0375)R277.CB) [> 3.5224 = 5.8707 < 7.6319] w=0.1202 to align # Constraint # added constraint: constraint((T0375)R139.CB, (T0375)V168.CB) [> 3.9088 = 6.5146 < 8.4690] w=0.1200 to align # Constraint # added constraint: constraint((T0375)V168.CB, (T0375)L177.CB) [> 3.9364 = 6.5607 < 8.5289] w=0.1198 to align # Constraint # added constraint: constraint((T0375)V7.CB, (T0375)G138.CA) [> 4.1903 = 6.9839 < 9.0790] w=0.1195 to align # Constraint # added constraint: constraint((T0375)V186.CB, (T0375)A275.CB) [> 4.4509 = 7.4181 < 9.6435] w=0.1194 to align # Constraint # added constraint: constraint((T0375)N140.CB, (T0375)V168.CB) [> 3.5223 = 5.8705 < 7.6316] w=0.1164 to align # Constraint # added constraint: constraint((T0375)V168.CB, (T0375)L197.CB) [> 3.8777 = 6.4628 < 8.4016] w=0.1140 to align # Constraint # added constraint: constraint((T0375)S44.CB, (T0375)E161.CB) [> 4.4900 = 7.4834 < 9.7284] w=0.1140 to align # Constraint # added constraint: constraint((T0375)G59.CA, (T0375)I134.CB) [> 3.8558 = 6.4264 < 8.3543] w=0.1140 to align # Constraint # added constraint: constraint((T0375)V11.CB, (T0375)Y111.CB) [> 4.2439 = 7.0731 < 9.1951] w=0.1128 to align # Constraint # added constraint: constraint((T0375)V66.CB, (T0375)P93.CB) [> 4.3000 = 7.1667 < 9.3167] w=0.1128 to align # Constraint # added constraint: constraint((T0375)A217.CB, (T0375)D234.CB) [> 4.1325 = 6.8875 < 8.9537] w=0.1128 to align # Constraint # added constraint: constraint((T0375)P22.CB, (T0375)T107.CB) [> 3.7295 = 6.2159 < 8.0806] w=0.1126 to align # Constraint # added constraint: constraint((T0375)A222.CB, (T0375)A254.CB) [> 4.3463 = 7.2439 < 9.4170] w=0.1126 to align # Constraint # added constraint: constraint((T0375)G138.CA, (T0375)S167.CB) [> 3.5178 = 5.8630 < 7.6220] w=0.1119 to align # Constraint # added constraint: constraint((T0375)A230.CB, (T0375)C280.CB) [> 3.9993 = 6.6656 < 8.6652] w=0.1118 to align # Constraint # added constraint: constraint((T0375)W223.CB, (T0375)G255.CA) [> 4.2456 = 7.0761 < 9.1989] w=0.1101 to align # Constraint # added constraint: constraint((T0375)V7.CB, (T0375)S60.CB) [> 3.9736 = 6.6227 < 8.6096] w=0.1100 to align # Constraint # added constraint: constraint((T0375)M58.CB, (T0375)I136.CB) [> 3.4554 = 5.7590 < 7.4867] w=0.1086 to align # Constraint # added constraint: constraint((T0375)R106.CB, (T0375)D250.CB) [> 3.9637 = 6.6062 < 8.5881] w=0.1047 to align # Constraint # added constraint: constraint((T0375)S105.CB, (T0375)T251.CB) [> 3.8097 = 6.3496 < 8.2544] w=0.1047 to align # Constraint # added constraint: constraint((T0375)N43.CB, (T0375)D293.CB) [> 3.2436 = 5.4059 < 7.0277] w=0.1047 to align # Constraint # added constraint: constraint((T0375)C6.CB, (T0375)G59.CA) [> 4.3699 = 7.2831 < 9.4680] w=0.1047 to align # Constraint # added constraint: constraint((T0375)A205.CB, (T0375)W223.CB) [> 3.9435 = 6.5725 < 8.5442] w=0.1044 to align # Constraint # added constraint: constraint((T0375)D241.CB, (T0375)Q281.CB) [> 4.4271 = 7.3786 < 9.5922] w=0.1044 to align # Constraint # added constraint: constraint((T0375)F123.CB, (T0375)H154.CB) [> 3.8751 = 6.4584 < 8.3960] w=0.1038 to align # Constraint # added constraint: constraint((T0375)I108.CB, (T0375)L252.CB) [> 4.3232 = 7.2053 < 9.3669] w=0.0967 to align # Constraint # added constraint: constraint((T0375)Y21.CB, (T0375)N100.CB) [> 3.2002 = 5.3337 < 6.9338] w=0.0967 to align # Constraint # added constraint: constraint((T0375)L51.CB, (T0375)F278.CB) [> 4.4723 = 7.4539 < 9.6900] w=0.0967 to align # Constraint # added constraint: constraint((T0375)S60.CB, (T0375)P93.CB) [> 4.5319 = 7.5533 < 9.8192] w=0.0966 to align # Constraint # added constraint: constraint((T0375)V10.CB, (T0375)C45.CB) [> 4.5146 = 7.5243 < 9.7816] w=0.0966 to align # Constraint # added constraint: constraint((T0375)I94.CB, (T0375)I108.CB) [> 4.0181 = 6.6968 < 8.7058] w=0.0965 to align # Constraint # added constraint: constraint((T0375)G184.CA, (T0375)V213.CB) [> 4.0514 = 6.7523 < 8.7779] w=0.0963 to align # Constraint # added constraint: constraint((T0375)L209.CB, (T0375)A230.CB) [> 4.2371 = 7.0618 < 9.1803] w=0.0963 to align # Constraint # added constraint: constraint((T0375)A228.CB, (T0375)L238.CB) [> 4.5128 = 7.5213 < 9.7776] w=0.0963 to align # Constraint # added constraint: constraint((T0375)P245.CB, (T0375)G284.CA) [> 3.8135 = 6.3558 < 8.2626] w=0.0960 to align # Constraint # added constraint: constraint((T0375)V187.CB, (T0375)V213.CB) [> 4.3458 = 7.2431 < 9.4160] w=0.0953 to align # Constraint # added constraint: constraint((T0375)Q162.CB, (T0375)R174.CB) [> 4.2820 = 7.1367 < 9.2777] w=0.0953 to align # Constraint # added constraint: constraint((T0375)V166.CB, (T0375)F188.CB) [> 3.4474 = 5.7456 < 7.4693] w=0.0896 to align # Constraint # added constraint: constraint((T0375)V97.CB, (T0375)D250.CB) [> 4.4532 = 7.4220 < 9.6486] w=0.0886 to align # Constraint # added constraint: constraint((T0375)E27.CB, (T0375)I108.CB) [> 3.6446 = 6.0743 < 7.8966] w=0.0886 to align # Constraint # added constraint: constraint((T0375)L9.CB, (T0375)Y111.CB) [> 4.0493 = 6.7489 < 8.7736] w=0.0886 to align # Constraint # added constraint: constraint((T0375)I47.CB, (T0375)I263.CB) [> 4.6652 = 7.7754 < 10.1080] w=0.0886 to align # Constraint # added constraint: constraint((T0375)Y110.CB, (T0375)N140.CB) [> 3.5055 = 5.8426 < 7.5953] w=0.0878 to align # Constraint # added constraint: constraint((T0375)S44.CB, (T0375)G138.CA) [> 3.9733 = 6.6222 < 8.6088] w=0.0840 to align # Constraint # added constraint: constraint((T0375)A194.CB, (T0375)E204.CB) [> 4.2256 = 7.0427 < 9.1556] w=0.0805 to align # Constraint # added constraint: constraint((T0375)H239.CB, (T0375)V272.CB) [> 3.6080 = 6.0133 < 7.8173] w=0.0805 to align # Constraint # added constraint: constraint((T0375)P246.CB, (T0375)K285.CB) [> 4.6026 = 7.6710 < 9.9722] w=0.0805 to align # Constraint # added constraint: constraint((T0375)Q33.CB, (T0375)T96.CB) [> 4.1948 = 6.9913 < 9.0887] w=0.0805 to align # Constraint # added constraint: constraint((T0375)W223.CB, (T0375)A242.CB) [> 4.5624 = 7.6041 < 9.8853] w=0.0805 to align # Constraint # added constraint: constraint((T0375)V10.CB, (T0375)M58.CB) [> 4.0411 = 6.7352 < 8.7557] w=0.0805 to align # Constraint # added constraint: constraint((T0375)Y111.CB, (T0375)N140.CB) [> 4.2256 = 7.0427 < 9.1555] w=0.0804 to align # Constraint # added constraint: constraint((T0375)S44.CB, (T0375)F57.CB) [> 4.6072 = 7.6787 < 9.9823] w=0.0803 to align # Constraint # added constraint: constraint((T0375)S190.CB, (T0375)E225.CB) [> 4.5755 = 7.6258 < 9.9136] w=0.0802 to align # Constraint # added constraint: constraint((T0375)S16.CB, (T0375)L31.CB) [> 3.3089 = 5.5148 < 7.1692] w=0.0800 to align # Constraint # added constraint: constraint((T0375)G59.CA, (T0375)Y111.CB) [> 3.2670 = 5.4451 < 7.0786] w=0.0798 to align # Constraint # added constraint: constraint((T0375)G59.CA, (T0375)G138.CA) [> 3.9783 = 6.6304 < 8.6196] w=0.0789 to align # Constraint # added constraint: constraint((T0375)V187.CB, (T0375)C221.CB) [> 3.8294 = 6.3823 < 8.2970] w=0.0777 to align # Constraint # added constraint: constraint((T0375)V189.CB, (T0375)W223.CB) [> 4.1867 = 6.9778 < 9.0711] w=0.0775 to align # Constraint # added constraint: constraint((T0375)A41.CB, (T0375)S60.CB) [> 4.1354 = 6.8924 < 8.9601] w=0.0771 to align # Constraint # added constraint: constraint((T0375)C55.CB, (T0375)I134.CB) [> 4.4583 = 7.4305 < 9.6596] w=0.0759 to align # Constraint # added constraint: constraint((T0375)P159.CB, (T0375)V218.CB) [> 4.1214 = 6.8689 < 8.9296] w=0.0757 to align # Constraint # added constraint: constraint((T0375)L50.CB, (T0375)V79.CB) [> 2.1489 = 3.5815 < 4.6560] w=0.0746 to align # Constraint # added constraint: constraint((T0375)V186.CB, (T0375)C221.CB) [> 4.1863 = 6.9771 < 9.0703] w=0.0727 to align # Constraint # added constraint: constraint((T0375)L9.CB, (T0375)W35.CB) [> 3.8692 = 6.4486 < 8.3832] w=0.0725 to align # Constraint # added constraint: constraint((T0375)S44.CB, (T0375)G253.CA) [> 2.8711 = 4.7852 < 6.2208] w=0.0725 to align # Constraint # added constraint: constraint((T0375)V249.CB, (T0375)G291.CA) [> 4.5939 = 7.6565 < 9.9534] w=0.0725 to align # Constraint # added constraint: constraint((T0375)G227.CA, (T0375)A283.CB) [> 4.6023 = 7.6705 < 9.9717] w=0.0725 to align # Constraint # added constraint: constraint((T0375)A224.CB, (T0375)C287.CB) [> 4.7166 = 7.8610 < 10.2193] w=0.0725 to align # Constraint # added constraint: constraint((T0375)C30.CB, (T0375)I98.CB) [> 4.6284 = 7.7141 < 10.0283] w=0.0725 to align # Constraint # added constraint: constraint((T0375)V18.CB, (T0375)R29.CB) [> 4.5144 = 7.5240 < 9.7812] w=0.0725 to align # Constraint # added constraint: constraint((T0375)A41.CB, (T0375)E161.CB) [> 4.5290 = 7.5483 < 9.8127] w=0.0725 to align # Constraint # added constraint: constraint((T0375)F243.CB, (T0375)K285.CB) [> 4.5101 = 7.5168 < 9.7719] w=0.0725 to align # Constraint # added constraint: constraint((T0375)N43.CB, (T0375)G255.CA) [> 4.6632 = 7.7721 < 10.1037] w=0.0725 to align # Constraint # added constraint: constraint((T0375)N43.CB, (T0375)L252.CB) [> 4.6521 = 7.7534 < 10.0794] w=0.0725 to align # Constraint # added constraint: constraint((T0375)L50.CB, (T0375)L81.CB) [> 3.4770 = 5.7951 < 7.5336] w=0.0725 to align # Constraint # added constraint: constraint((T0375)A95.CB, (T0375)R106.CB) [> 3.4649 = 5.7749 < 7.5073] w=0.0723 to align # Constraint # added constraint: constraint((T0375)P160.CB, (T0375)A217.CB) [> 4.1749 = 6.9581 < 9.0455] w=0.0718 to align # Constraint # added constraint: constraint((T0375)N140.CB, (T0375)Q162.CB) [> 3.9346 = 6.5577 < 8.5250] w=0.0712 to align # Constraint # added constraint: constraint((T0375)P63.CB, (T0375)G138.CA) [> 3.9740 = 6.6234 < 8.6104] w=0.0703 to align # Constraint # added constraint: constraint((T0375)P159.CB, (T0375)L219.CB) [> 3.9126 = 6.5210 < 8.4773] w=0.0676 to align # Constraint # added constraint: constraint((T0375)G184.CA, (T0375)V218.CB) [> 4.0716 = 6.7860 < 8.8217] w=0.0647 to align # Constraint # added constraint: constraint((T0375)I28.CB, (T0375)I108.CB) [> 3.5635 = 5.9392 < 7.7209] w=0.0644 to align # Constraint # added constraint: constraint((T0375)I99.CB, (T0375)L252.CB) [> 4.5218 = 7.5363 < 9.7972] w=0.0644 to align # Constraint # added constraint: constraint((T0375)L9.CB, (T0375)Y110.CB) [> 4.1890 = 6.9817 < 9.0762] w=0.0644 to align # Constraint # added constraint: constraint((T0375)V11.CB, (T0375)L109.CB) [> 4.3301 = 7.2168 < 9.3818] w=0.0644 to align # Constraint # added constraint: constraint((T0375)S240.CB, (T0375)G279.CA) [> 4.5064 = 7.5106 < 9.7638] w=0.0644 to align # Constraint # added constraint: constraint((T0375)I47.CB, (T0375)F258.CB) [> 4.3220 = 7.2034 < 9.3644] w=0.0644 to align # Constraint # added constraint: constraint((T0375)G8.CA, (T0375)H135.CB) [> 4.7246 = 7.8743 < 10.2366] w=0.0644 to align # Constraint # added constraint: constraint((T0375)P93.CB, (T0375)I108.CB) [> 4.0950 = 6.8251 < 8.8726] w=0.0643 to align # Constraint # added constraint: constraint((T0375)L48.CB, (T0375)F57.CB) [> 4.1417 = 6.9029 < 8.9738] w=0.0642 to align # Constraint # added constraint: constraint((T0375)G269.CA, (T0375)F278.CB) [> 4.6434 = 7.7391 < 10.0608] w=0.0641 to align # Constraint # added constraint: constraint((T0375)S60.CB, (T0375)N140.CB) [> 3.5235 = 5.8725 < 7.6342] w=0.0641 to align # Constraint # added constraint: constraint((T0375)G59.CA, (T0375)N140.CB) [> 4.6077 = 7.6795 < 9.9833] w=0.0641 to align # Constraint # added constraint: constraint((T0375)P93.CB, (T0375)N140.CB) [> 4.1166 = 6.8611 < 8.9194] w=0.0641 to align # Constraint # added constraint: constraint((T0375)G59.CA, (T0375)Y110.CB) [> 3.8809 = 6.4682 < 8.4086] w=0.0637 to align # Constraint # added constraint: constraint((T0375)G138.CA, (T0375)V168.CB) [> 3.8670 = 6.4450 < 8.3784] w=0.0636 to align # Constraint # added constraint: constraint((T0375)L209.CB, (T0375)V218.CB) [> 4.0443 = 6.7405 < 8.7627] w=0.0635 to align # Constraint # added constraint: constraint((T0375)S44.CB, (T0375)F278.CB) [> 2.3321 = 3.8868 < 5.0529] w=0.0635 to align # Constraint # added constraint: constraint((T0375)S44.CB, (T0375)V282.CB) [> 4.4485 = 7.4141 < 9.6383] w=0.0635 to align # Constraint # added constraint: constraint((T0375)S60.CB, (T0375)H135.CB) [> 4.2426 = 7.0709 < 9.1922] w=0.0633 to align # Constraint # added constraint: constraint((T0375)S60.CB, (T0375)I134.CB) [> 4.2645 = 7.1074 < 9.2397] w=0.0633 to align # Constraint # added constraint: constraint((T0375)E161.CB, (T0375)A222.CB) [> 4.3775 = 7.2958 < 9.4845] w=0.0629 to align # Constraint # added constraint: constraint((T0375)E161.CB, (T0375)L219.CB) [> 4.1304 = 6.8840 < 8.9492] w=0.0620 to align # Constraint # added constraint: constraint((T0375)H135.CB, (T0375)V186.CB) [> 4.5607 = 7.6011 < 9.8814] w=0.0611 to align # Constraint # added constraint: constraint((T0375)F57.CB, (T0375)I136.CB) [> 4.5960 = 7.6600 < 9.9580] w=0.0601 to align # Constraint # added constraint: constraint((T0375)F57.CB, (T0375)E137.CB) [> 4.4301 = 7.3835 < 9.5986] w=0.0599 to align # Constraint # added constraint: constraint((T0375)C221.CB, (T0375)F258.CB) [> 3.4068 = 5.6781 < 7.3815] w=0.0594 to align # Constraint # added constraint: constraint((T0375)S44.CB, (T0375)V187.CB) [> 3.3458 = 5.5764 < 7.2493] w=0.0593 to align # Constraint # added constraint: constraint((T0375)A41.CB, (T0375)G253.CA) [> 4.2768 = 7.1280 < 9.2664] w=0.0564 to align # Constraint # added constraint: constraint((T0375)E226.CB, (T0375)P245.CB) [> 3.9786 = 6.6309 < 8.6202] w=0.0564 to align # Constraint # added constraint: constraint((T0375)N43.CB, (T0375)E137.CB) [> 4.5121 = 7.5202 < 9.7762] w=0.0561 to align # Constraint # added constraint: constraint((T0375)P159.CB, (T0375)L209.CB) [> 3.7532 = 6.2554 < 8.1320] w=0.0559 to align # Constraint # added constraint: constraint((T0375)E137.CB, (T0375)P159.CB) [> 4.7279 = 7.8799 < 10.2438] w=0.0556 to align # Constraint # added constraint: constraint((T0375)L209.CB, (T0375)G235.CA) [> 3.7572 = 6.2620 < 8.1406] w=0.0553 to align # Constraint # added constraint: constraint((T0375)F69.CB, (T0375)T251.CB) [> 4.2751 = 7.1251 < 9.2626] w=0.0552 to align # Constraint # added constraint: constraint((T0375)E161.CB, (T0375)V220.CB) [> 3.9834 = 6.6390 < 8.6307] w=0.0542 to align # Constraint # added constraint: constraint((T0375)K285.CB, (T0375)I295.CB) [> 4.0300 = 6.7167 < 8.7317] w=0.0539 to align # Constraint # added constraint: constraint((T0375)N43.CB, (T0375)V187.CB) [> 3.3529 = 5.5881 < 7.2645] w=0.0539 to align # Constraint # added constraint: constraint((T0375)W223.CB, (T0375)F258.CB) [> 3.3874 = 5.6456 < 7.3393] w=0.0515 to align # Constraint # added constraint: constraint((T0375)P160.CB, (T0375)L219.CB) [> 3.5968 = 5.9947 < 7.7931] w=0.0513 to align # Constraint # added constraint: constraint((T0375)P159.CB, (T0375)A217.CB) [> 3.3826 = 5.6377 < 7.3290] w=0.0513 to align # Constraint # added constraint: constraint((T0375)I47.CB, (T0375)V187.CB) [> 4.6219 = 7.7032 < 10.0142] w=0.0511 to align # Constraint # added constraint: constraint((T0375)H135.CB, (T0375)F188.CB) [> 3.3834 = 5.6390 < 7.3307] w=0.0508 to align # Constraint # added constraint: constraint((T0375)M58.CB, (T0375)L109.CB) [> 4.0492 = 6.7487 < 8.7734] w=0.0505 to align # Constraint # added constraint: constraint((T0375)I134.CB, (T0375)V186.CB) [> 4.0089 = 6.6814 < 8.6859] w=0.0505 to align # Constraint # added constraint: constraint((T0375)I136.CB, (T0375)F188.CB) [> 4.1918 = 6.9863 < 9.0821] w=0.0505 to align # Constraint # added constraint: constraint((T0375)F57.CB, (T0375)L109.CB) [> 3.3452 = 5.5754 < 7.2480] w=0.0503 to align # Constraint # added constraint: constraint((T0375)I28.CB, (T0375)Y110.CB) [> 4.4852 = 7.4753 < 9.7179] w=0.0483 to align # Constraint # added constraint: constraint((T0375)I28.CB, (T0375)L109.CB) [> 3.9909 = 6.6515 < 8.6470] w=0.0483 to align # Constraint # added constraint: constraint((T0375)S44.CB, (T0375)L252.CB) [> 4.3281 = 7.2135 < 9.3776] w=0.0483 to align # Constraint # added constraint: constraint((T0375)T251.CB, (T0375)G288.CA) [> 4.7110 = 7.8516 < 10.2071] w=0.0483 to align # Constraint # added constraint: constraint((T0375)S105.CB, (T0375)D250.CB) [> 3.8400 = 6.4001 < 8.3201] w=0.0483 to align # Constraint # added constraint: constraint((T0375)I99.CB, (T0375)V249.CB) [> 3.9346 = 6.5577 < 8.5251] w=0.0483 to align # Constraint # added constraint: constraint((T0375)D13.CB, (T0375)P93.CB) [> 4.1895 = 6.9826 < 9.0773] w=0.0483 to align # Constraint # added constraint: constraint((T0375)L12.CB, (T0375)P63.CB) [> 4.4250 = 7.3750 < 9.5875] w=0.0483 to align # Constraint # added constraint: constraint((T0375)P22.CB, (T0375)T96.CB) [> 3.8970 = 6.4951 < 8.4436] w=0.0482 to align # Constraint # added constraint: constraint((T0375)S44.CB, (T0375)Q162.CB) [> 4.2548 = 7.0914 < 9.2188] w=0.0480 to align # Constraint # added constraint: constraint((T0375)V7.CB, (T0375)A141.CB) [> 3.9878 = 6.6463 < 8.6402] w=0.0478 to align # Constraint # added constraint: constraint((T0375)A56.CB, (T0375)P93.CB) [> 3.4541 = 5.7569 < 7.4840] w=0.0476 to align # Constraint # added constraint: constraint((T0375)I99.CB, (T0375)I108.CB) [> 4.0136 = 6.6893 < 8.6961] w=0.0475 to align # Constraint # added constraint: constraint((T0375)E161.CB, (T0375)V218.CB) [> 3.9711 = 6.6185 < 8.6040] w=0.0474 to align # Constraint # added constraint: constraint((T0375)A41.CB, (T0375)Q281.CB) [> 2.7509 = 4.5849 < 5.9603] w=0.0474 to align # Constraint # added constraint: constraint((T0375)R174.CB, (T0375)F188.CB) [> 3.3144 = 5.5240 < 7.1812] w=0.0471 to align # Constraint # added constraint: constraint((T0375)S49.CB, (T0375)R82.CB) [> 3.8279 = 6.3798 < 8.2937] w=0.0469 to align # Constraint # added constraint: constraint((T0375)Q162.CB, (T0375)A222.CB) [> 3.5912 = 5.9854 < 7.7810] w=0.0463 to align # Constraint # added constraint: constraint((T0375)Q162.CB, (T0375)C221.CB) [> 3.9141 = 6.5235 < 8.4805] w=0.0463 to align # Constraint # added constraint: constraint((T0375)P160.CB, (T0375)V220.CB) [> 3.3078 = 5.5131 < 7.1670] w=0.0435 to align # Constraint # added constraint: constraint((T0375)S44.CB, (T0375)P160.CB) [> 3.6064 = 6.0106 < 7.8138] w=0.0426 to align # Constraint # added constraint: constraint((T0375)A56.CB, (T0375)I108.CB) [> 3.2508 = 5.4180 < 7.0434] w=0.0422 to align # Constraint # added constraint: constraint((T0375)A56.CB, (T0375)T107.CB) [> 3.9619 = 6.6032 < 8.5841] w=0.0422 to align # Constraint # added constraint: constraint((T0375)C30.CB, (T0375)L109.CB) [> 2.9076 = 4.8461 < 6.2999] w=0.0403 to align # Constraint # added constraint: constraint((T0375)R29.CB, (T0375)Y110.CB) [> 3.7020 = 6.1699 < 8.0209] w=0.0403 to align # Constraint # added constraint: constraint((T0375)R29.CB, (T0375)L109.CB) [> 4.3495 = 7.2492 < 9.4240] w=0.0403 to align # Constraint # added constraint: constraint((T0375)I28.CB, (T0375)T107.CB) [> 4.0824 = 6.8040 < 8.8452] w=0.0403 to align # Constraint # added constraint: constraint((T0375)L9.CB, (T0375)T96.CB) [> 3.7205 = 6.2008 < 8.0611] w=0.0403 to align # Constraint # added constraint: constraint((T0375)L9.CB, (T0375)N43.CB) [> 4.0425 = 6.7376 < 8.7588] w=0.0403 to align # Constraint # added constraint: constraint((T0375)E226.CB, (T0375)P246.CB) [> 3.6112 = 6.0187 < 7.8243] w=0.0403 to align # Constraint # added constraint: constraint((T0375)T257.CB, (T0375)I295.CB) [> 4.3839 = 7.3064 < 9.4984] w=0.0403 to align # Constraint # added constraint: constraint((T0375)G253.CA, (T0375)I295.CB) [> 4.1086 = 6.8477 < 8.9019] w=0.0403 to align # Constraint # added constraint: constraint((T0375)D250.CB, (T0375)I295.CB) [> 3.9336 = 6.5560 < 8.5228] w=0.0403 to align # Constraint # added constraint: constraint((T0375)L209.CB, (T0375)L238.CB) [> 3.9590 = 6.5983 < 8.5778] w=0.0403 to align # Constraint # added constraint: constraint((T0375)R106.CB, (T0375)V249.CB) [> 3.9284 = 6.5473 < 8.5115] w=0.0403 to align # Constraint # added constraint: constraint((T0375)L50.CB, (T0375)V296.CB) [> 3.3946 = 5.6576 < 7.3549] w=0.0403 to align # Constraint # added constraint: constraint((T0375)I47.CB, (T0375)V296.CB) [> 3.3735 = 5.6225 < 7.3093] w=0.0403 to align # Constraint # added constraint: constraint((T0375)T107.CB, (T0375)L252.CB) [> 4.3266 = 7.2110 < 9.3743] w=0.0403 to align # Constraint # added constraint: constraint((T0375)A205.CB, (T0375)L237.CB) [> 4.3166 = 7.1943 < 9.3526] w=0.0403 to align # Constraint # added constraint: constraint((T0375)L5.CB, (T0375)G59.CA) [> 4.3239 = 7.2064 < 9.3684] w=0.0403 to align # Constraint # added constraint: constraint((T0375)H65.CB, (T0375)R75.CB) [> 4.2201 = 7.0335 < 9.1435] w=0.0403 to align # Constraint # added constraint: constraint((T0375)W223.CB, (T0375)A254.CB) [> 3.9126 = 6.5209 < 8.4772] w=0.0401 to align # Constraint # added constraint: constraint((T0375)I136.CB, (T0375)V187.CB) [> 4.1650 = 6.9417 < 9.0242] w=0.0400 to align # Constraint # added constraint: constraint((T0375)C6.CB, (T0375)R82.CB) [> 4.3029 = 7.1715 < 9.3229] w=0.0400 to align # Constraint # added constraint: constraint((T0375)A224.CB, (T0375)P244.CB) [> 4.2235 = 7.0392 < 9.1510] w=0.0400 to align # Constraint # added constraint: constraint((T0375)L9.CB, (T0375)M58.CB) [> 4.5950 = 7.6583 < 9.9558] w=0.0400 to align # Constraint # added constraint: constraint((T0375)G59.CA, (T0375)T96.CB) [> 3.6988 = 6.1646 < 8.0140] w=0.0395 to align # Constraint # added constraint: constraint((T0375)E161.CB, (T0375)F258.CB) [> 4.4934 = 7.4890 < 9.7358] w=0.0395 to align # Constraint # added constraint: constraint((T0375)V14.CB, (T0375)L31.CB) [> 4.3084 = 7.1807 < 9.3349] w=0.0394 to align # Constraint # added constraint: constraint((T0375)C6.CB, (T0375)A53.CB) [> 4.6728 = 7.7880 < 10.1243] w=0.0369 to align # Constraint # added constraint: constraint((T0375)P160.CB, (T0375)V218.CB) [> 4.3030 = 7.1716 < 9.3231] w=0.0358 to align # Constraint # added constraint: constraint((T0375)P159.CB, (T0375)V220.CB) [> 4.3372 = 7.2287 < 9.3973] w=0.0357 to align # Constraint # added constraint: constraint((T0375)C221.CB, (T0375)G255.CA) [> 4.2467 = 7.0778 < 9.2011] w=0.0353 to align # Constraint # added constraint: constraint((T0375)I134.CB, (T0375)V187.CB) [> 2.8542 = 4.7569 < 6.1840] w=0.0350 to align # Constraint # added constraint: constraint((T0375)I134.CB, (T0375)F188.CB) [> 4.3406 = 7.2344 < 9.4047] w=0.0350 to align # Constraint # added constraint: constraint((T0375)N100.CB, (T0375)V248.CB) [> 4.6253 = 7.7089 < 10.0216] w=0.0322 to align # Constraint # added constraint: constraint((T0375)T46.CB, (T0375)V296.CB) [> 3.3254 = 5.5423 < 7.2050] w=0.0322 to align # Constraint # added constraint: constraint((T0375)S105.CB, (T0375)L252.CB) [> 2.9695 = 4.9491 < 6.4339] w=0.0322 to align # Constraint # added constraint: constraint((T0375)T257.CB, (T0375)V296.CB) [> 3.3414 = 5.5690 < 7.2397] w=0.0322 to align # Constraint # added constraint: constraint((T0375)N43.CB, (T0375)V296.CB) [> 4.4452 = 7.4087 < 9.6313] w=0.0322 to align # Constraint # added constraint: constraint((T0375)V248.CB, (T0375)Q290.CB) [> 3.2873 = 5.4789 < 7.1225] w=0.0322 to align # Constraint # added constraint: constraint((T0375)T96.CB, (T0375)L252.CB) [> 3.9455 = 6.5759 < 8.5487] w=0.0322 to align # Constraint # added constraint: constraint((T0375)N43.CB, (T0375)A254.CB) [> 4.7560 = 7.9267 < 10.3047] w=0.0322 to align # Constraint # added constraint: constraint((T0375)L5.CB, (T0375)I136.CB) [> 4.0372 = 6.7287 < 8.7473] w=0.0322 to align # Constraint # added constraint: constraint((T0375)A224.CB, (T0375)P246.CB) [> 4.4767 = 7.4611 < 9.6994] w=0.0320 to align # Constraint # added constraint: constraint((T0375)A56.CB, (T0375)L209.CB) [> 3.7531 = 6.2551 < 8.1316] w=0.0316 to align # Constraint # added constraint: constraint((T0375)C55.CB, (T0375)T107.CB) [> 3.5898 = 5.9829 < 7.7778] w=0.0315 to align # Constraint # added constraint: constraint((T0375)M58.CB, (T0375)I94.CB) [> 4.2577 = 7.0962 < 9.2251] w=0.0315 to align # Constraint # added constraint: constraint((T0375)T107.CB, (T0375)I134.CB) [> 4.2629 = 7.1049 < 9.2364] w=0.0313 to align # Constraint # added constraint: constraint((T0375)I134.CB, (T0375)Q162.CB) [> 3.7708 = 6.2847 < 8.1701] w=0.0313 to align # Constraint # added constraint: constraint((T0375)E161.CB, (T0375)C221.CB) [> 3.3876 = 5.6459 < 7.3397] w=0.0312 to align # Constraint # added constraint: constraint((T0375)V11.CB, (T0375)C30.CB) [> 3.6355 = 6.0592 < 7.8769] w=0.0311 to align # Constraint # added constraint: constraint((T0375)V10.CB, (T0375)C30.CB) [> 4.6390 = 7.7316 < 10.0511] w=0.0311 to align # Constraint # added constraint: constraint((T0375)Q162.CB, (T0375)L219.CB) [> 3.4962 = 5.8270 < 7.5751] w=0.0308 to align # Constraint # added constraint: constraint((T0375)P160.CB, (T0375)C221.CB) [> 4.3856 = 7.3093 < 9.5021] w=0.0307 to align # Constraint # added constraint: constraint((T0375)M58.CB, (T0375)G138.CA) [> 4.0985 = 6.8309 < 8.8801] w=0.0300 to align # Constraint # added constraint: constraint((T0375)L219.CB, (T0375)V248.CB) [> 4.2475 = 7.0792 < 9.2030] w=0.0296 to align # Constraint # added constraint: constraint((T0375)V186.CB, (T0375)L237.CB) [> 3.8029 = 6.3381 < 8.2395] w=0.0287 to align # Constraint # added constraint: constraint((T0375)A41.CB, (T0375)Q162.CB) [> 4.4091 = 7.3485 < 9.5530] w=0.0280 to align # Constraint # added constraint: constraint((T0375)H135.CB, (T0375)V187.CB) [> 4.7035 = 7.8392 < 10.1910] w=0.0271 to align # Constraint # added constraint: constraint((T0375)G8.CA, (T0375)V18.CB) [> 4.4475 = 7.4125 < 9.6362] w=0.0266 to align # Constraint # added constraint: constraint((T0375)E137.CB, (T0375)G255.CA) [> 4.4749 = 7.4581 < 9.6956] w=0.0242 to align # Constraint # added constraint: constraint((T0375)S44.CB, (T0375)I136.CB) [> 3.6213 = 6.0354 < 7.8461] w=0.0242 to align # Constraint # added constraint: constraint((T0375)T96.CB, (T0375)N140.CB) [> 3.4446 = 5.7409 < 7.4632] w=0.0242 to align # Constraint # added constraint: constraint((T0375)E226.CB, (T0375)S240.CB) [> 4.3274 = 7.2123 < 9.3759] w=0.0242 to align # Constraint # added constraint: constraint((T0375)A254.CB, (T0375)I295.CB) [> 4.7480 = 7.9133 < 10.2873] w=0.0242 to align # Constraint # added constraint: constraint((T0375)A102.CB, (T0375)V248.CB) [> 3.5311 = 5.8852 < 7.6508] w=0.0242 to align # Constraint # added constraint: constraint((T0375)T251.CB, (T0375)A283.CB) [> 4.7599 = 7.9332 < 10.3131] w=0.0242 to align # Constraint # added constraint: constraint((T0375)P246.CB, (T0375)L289.CB) [> 4.3314 = 7.2191 < 9.3848] w=0.0242 to align # Constraint # added constraint: constraint((T0375)P245.CB, (T0375)A254.CB) [> 4.6421 = 7.7368 < 10.0579] w=0.0242 to align # Constraint # added constraint: constraint((T0375)V11.CB, (T0375)N140.CB) [> 4.5845 = 7.6408 < 9.9330] w=0.0242 to align # Constraint # added constraint: constraint((T0375)S240.CB, (T0375)V272.CB) [> 3.4358 = 5.7264 < 7.4443] w=0.0242 to align # Constraint # added constraint: constraint((T0375)T96.CB, (T0375)S105.CB) [> 4.1128 = 6.8547 < 8.9111] w=0.0242 to align # Constraint # added constraint: constraint((T0375)Q33.CB, (T0375)V97.CB) [> 4.7098 = 7.8497 < 10.2046] w=0.0242 to align # Constraint # added constraint: constraint((T0375)A217.CB, (T0375)R270.CB) [> 4.4837 = 7.4729 < 9.7148] w=0.0240 to align # Constraint # added constraint: constraint((T0375)S60.CB, (T0375)E161.CB) [> 4.6109 = 7.6848 < 9.9903] w=0.0237 to align # Constraint # added constraint: constraint((T0375)G59.CA, (T0375)I94.CB) [> 4.0786 = 6.7976 < 8.8369] w=0.0237 to align # Constraint # added constraint: constraint((T0375)N140.CB, (T0375)E161.CB) [> 4.0489 = 6.7482 < 8.7727] w=0.0236 to align # Constraint # added constraint: constraint((T0375)E161.CB, (T0375)L209.CB) [> 3.6316 = 6.0526 < 7.8684] w=0.0235 to align # Constraint # added constraint: constraint((T0375)S60.CB, (T0375)T96.CB) [> 3.9429 = 6.5714 < 8.5428] w=0.0234 to align # Constraint # added constraint: constraint((T0375)M58.CB, (T0375)T96.CB) [> 4.5393 = 7.5654 < 9.8350] w=0.0234 to align # Constraint # added constraint: constraint((T0375)F57.CB, (T0375)I94.CB) [> 2.4651 = 4.1085 < 5.3410] w=0.0234 to align # Constraint # added constraint: constraint((T0375)F57.CB, (T0375)P93.CB) [> 4.1948 = 6.9914 < 9.0888] w=0.0234 to align # Constraint # added constraint: constraint((T0375)A56.CB, (T0375)I94.CB) [> 4.0906 = 6.8176 < 8.8629] w=0.0234 to align # Constraint # added constraint: constraint((T0375)C55.CB, (T0375)P93.CB) [> 3.8809 = 6.4682 < 8.4086] w=0.0234 to align # Constraint # added constraint: constraint((T0375)A230.CB, (T0375)G255.CA) [> 4.4700 = 7.4500 < 9.6851] w=0.0234 to align # Constraint # added constraint: constraint((T0375)F57.CB, (T0375)V220.CB) [> 3.3588 = 5.5979 < 7.2773] w=0.0232 to align # Constraint # added constraint: constraint((T0375)C55.CB, (T0375)V220.CB) [> 4.6511 = 7.7518 < 10.0773] w=0.0232 to align # Constraint # added constraint: constraint((T0375)C55.CB, (T0375)V218.CB) [> 3.9320 = 6.5533 < 8.5192] w=0.0232 to align # Constraint # added constraint: constraint((T0375)Q162.CB, (T0375)V220.CB) [> 3.7246 = 6.2076 < 8.0699] w=0.0230 to align # Constraint # added constraint: constraint((T0375)T96.CB, (T0375)P160.CB) [> 4.5168 = 7.5280 < 9.7864] w=0.0230 to align # Constraint # added constraint: constraint((T0375)I94.CB, (T0375)E161.CB) [> 3.3498 = 5.5830 < 7.2579] w=0.0230 to align # Constraint # added constraint: constraint((T0375)I94.CB, (T0375)Q162.CB) [> 3.7335 = 6.2225 < 8.0893] w=0.0230 to align # Constraint # added constraint: constraint((T0375)A217.CB, (T0375)R247.CB) [> 2.8001 = 4.6669 < 6.0669] w=0.0217 to align # Constraint # added constraint: constraint((T0375)A217.CB, (T0375)V248.CB) [> 4.1887 = 6.9812 < 9.0756] w=0.0217 to align # Constraint # added constraint: constraint((T0375)V218.CB, (T0375)V248.CB) [> 3.3696 = 5.6160 < 7.3008] w=0.0217 to align # Constraint # added constraint: constraint((T0375)V218.CB, (T0375)D250.CB) [> 3.0560 = 5.0933 < 6.6213] w=0.0217 to align # Constraint # added constraint: constraint((T0375)L219.CB, (T0375)D250.CB) [> 4.2804 = 7.1340 < 9.2742] w=0.0217 to align # Constraint # added constraint: constraint((T0375)V220.CB, (T0375)L252.CB) [> 4.0250 = 6.7084 < 8.7209] w=0.0217 to align # Constraint # added constraint: constraint((T0375)C221.CB, (T0375)T251.CB) [> 3.1267 = 5.2112 < 6.7745] w=0.0217 to align # Constraint # added constraint: constraint((T0375)C221.CB, (T0375)L252.CB) [> 3.9915 = 6.6525 < 8.6482] w=0.0217 to align # Constraint # added constraint: constraint((T0375)T251.CB, (T0375)V262.CB) [> 3.3412 = 5.5686 < 7.2392] w=0.0217 to align # Constraint # added constraint: constraint((T0375)S60.CB, (T0375)Q162.CB) [> 3.8359 = 6.3931 < 8.3111] w=0.0216 to align # Constraint # added constraint: constraint((T0375)C221.CB, (T0375)D250.CB) [> 4.2028 = 7.0047 < 9.1061] w=0.0216 to align # Constraint # added constraint: constraint((T0375)V220.CB, (T0375)D250.CB) [> 3.4735 = 5.7891 < 7.5259] w=0.0216 to align # Constraint # added constraint: constraint((T0375)L219.CB, (T0375)V249.CB) [> 3.3976 = 5.6627 < 7.3615] w=0.0216 to align # Constraint # added constraint: constraint((T0375)F188.CB, (T0375)L237.CB) [> 4.4131 = 7.3552 < 9.5617] w=0.0206 to align # Constraint # added constraint: constraint((T0375)I136.CB, (T0375)L209.CB) [> 4.1713 = 6.9522 < 9.0379] w=0.0202 to align # Constraint # added constraint: constraint((T0375)V18.CB, (T0375)N140.CB) [> 3.6411 = 6.0684 < 7.8890] w=0.0185 to align # Constraint # added constraint: constraint((T0375)Q33.CB, (T0375)G138.CA) [> 3.8428 = 6.4046 < 8.3260] w=0.0177 to align # Constraint # added constraint: constraint((T0375)H135.CB, (T0375)L209.CB) [> 4.5429 = 7.5715 < 9.8430] w=0.0174 to align # Constraint # added constraint: constraint((T0375)V186.CB, (T0375)A230.CB) [> 4.7127 = 7.8545 < 10.2109] w=0.0171 to align # Constraint # added constraint: constraint((T0375)C6.CB, (T0375)S60.CB) [> 4.6452 = 7.7420 < 10.0646] w=0.0169 to align # Constraint # added constraint: constraint((T0375)T251.CB, (T0375)Q290.CB) [> 4.4040 = 7.3400 < 9.5420] w=0.0161 to align # Constraint # added constraint: constraint((T0375)G8.CA, (T0375)T96.CB) [> 4.3852 = 7.3087 < 9.5013] w=0.0161 to align # Constraint # added constraint: constraint((T0375)L9.CB, (T0375)I94.CB) [> 3.1597 = 5.2661 < 6.8460] w=0.0161 to align # Constraint # added constraint: constraint((T0375)S60.CB, (T0375)I94.CB) [> 4.5774 = 7.6290 < 9.9178] w=0.0161 to align # Constraint # added constraint: constraint((T0375)T96.CB, (T0375)G138.CA) [> 4.0978 = 6.8296 < 8.8785] w=0.0161 to align # Constraint # added constraint: constraint((T0375)I94.CB, (T0375)N140.CB) [> 4.0535 = 6.7559 < 8.7827] w=0.0161 to align # Constraint # added constraint: constraint((T0375)A102.CB, (T0375)T251.CB) [> 4.3183 = 7.1972 < 9.3563] w=0.0161 to align # Constraint # added constraint: constraint((T0375)A242.CB, (T0375)A254.CB) [> 4.6910 = 7.8183 < 10.1638] w=0.0161 to align # Constraint # added constraint: constraint((T0375)G8.CA, (T0375)Q33.CB) [> 2.6922 = 4.4870 < 5.8331] w=0.0161 to align # Constraint # added constraint: constraint((T0375)Q33.CB, (T0375)G59.CA) [> 3.2568 = 5.4281 < 7.0565] w=0.0161 to align # Constraint # added constraint: constraint((T0375)E226.CB, (T0375)R247.CB) [> 4.7021 = 7.8368 < 10.1878] w=0.0161 to align # Constraint # added constraint: constraint((T0375)P245.CB, (T0375)K285.CB) [> 4.2634 = 7.1056 < 9.2373] w=0.0161 to align # Constraint # added constraint: constraint((T0375)G8.CA, (T0375)T46.CB) [> 4.3335 = 7.2226 < 9.3894] w=0.0161 to align # Constraint # added constraint: constraint((T0375)T46.CB, (T0375)H135.CB) [> 4.3247 = 7.2078 < 9.3702] w=0.0160 to align # Constraint # added constraint: constraint((T0375)C221.CB, (T0375)A254.CB) [> 3.7885 = 6.3141 < 8.2084] w=0.0159 to align # Constraint # added constraint: constraint((T0375)V11.CB, (T0375)F57.CB) [> 4.1712 = 6.9519 < 9.0375] w=0.0159 to align # Constraint # added constraint: constraint((T0375)V11.CB, (T0375)A41.CB) [> 3.3159 = 5.5265 < 7.1845] w=0.0159 to align # Constraint # added constraint: constraint((T0375)V7.CB, (T0375)A56.CB) [> 4.4071 = 7.3452 < 9.5487] w=0.0159 to align # Constraint # added constraint: constraint((T0375)V7.CB, (T0375)C55.CB) [> 3.9608 = 6.6013 < 8.5817] w=0.0159 to align # Constraint # added constraint: constraint((T0375)L9.CB, (T0375)S44.CB) [> 4.5767 = 7.6279 < 9.9163] w=0.0158 to align # Constraint # added constraint: constraint((T0375)L9.CB, (T0375)F57.CB) [> 3.3229 = 5.5382 < 7.1996] w=0.0158 to align # Constraint # added constraint: constraint((T0375)C55.CB, (T0375)T96.CB) [> 4.6266 = 7.7111 < 10.0244] w=0.0158 to align # Constraint # added constraint: constraint((T0375)N140.CB, (T0375)F188.CB) [> 3.7304 = 6.2174 < 8.0826] w=0.0158 to align # Constraint # added constraint: constraint((T0375)E161.CB, (T0375)A217.CB) [> 3.9878 = 6.6463 < 8.6402] w=0.0157 to align # Constraint # added constraint: constraint((T0375)Q162.CB, (T0375)V218.CB) [> 4.4746 = 7.4576 < 9.6949] w=0.0157 to align # Constraint # added constraint: constraint((T0375)S44.CB, (T0375)P93.CB) [> 3.8372 = 6.3954 < 8.3140] w=0.0156 to align # Constraint # added constraint: constraint((T0375)S44.CB, (T0375)A56.CB) [> 4.3455 = 7.2424 < 9.4151] w=0.0156 to align # Constraint # added constraint: constraint((T0375)Q162.CB, (T0375)L209.CB) [> 4.1295 = 6.8824 < 8.9472] w=0.0153 to align # Constraint # added constraint: constraint((T0375)T96.CB, (T0375)P159.CB) [> 3.1551 = 5.2585 < 6.8361] w=0.0153 to align # Constraint # added constraint: constraint((T0375)I94.CB, (T0375)P160.CB) [> 4.1368 = 6.8947 < 8.9631] w=0.0153 to align # Constraint # added constraint: constraint((T0375)I94.CB, (T0375)P159.CB) [> 4.2415 = 7.0691 < 9.1898] w=0.0153 to align # Constraint # added constraint: constraint((T0375)P93.CB, (T0375)Q162.CB) [> 4.1934 = 6.9890 < 9.0858] w=0.0153 to align # Constraint # added constraint: constraint((T0375)L12.CB, (T0375)L31.CB) [> 4.2899 = 7.1499 < 9.2949] w=0.0152 to align # Constraint # added constraint: constraint((T0375)D13.CB, (T0375)L31.CB) [> 2.9276 = 4.8793 < 6.3430] w=0.0152 to align # Constraint # added constraint: constraint((T0375)V249.CB, (T0375)V262.CB) [> 2.9819 = 4.9699 < 6.4608] w=0.0137 to align # Constraint # added constraint: constraint((T0375)V218.CB, (T0375)R247.CB) [> 3.9758 = 6.6263 < 8.6142] w=0.0137 to align # Constraint # added constraint: constraint((T0375)V218.CB, (T0375)P246.CB) [> 4.4388 = 7.3981 < 9.6175] w=0.0137 to align # Constraint # added constraint: constraint((T0375)E137.CB, (T0375)F188.CB) [> 3.6873 = 6.1455 < 7.9892] w=0.0129 to align # Constraint # added constraint: constraint((T0375)S44.CB, (T0375)L209.CB) [> 4.4306 = 7.3844 < 9.5997] w=0.0123 to align # Constraint # added constraint: constraint((T0375)P160.CB, (T0375)L209.CB) [> 3.1720 = 5.2866 < 6.8726] w=0.0123 to align # Constraint # added constraint: constraint((T0375)C6.CB, (T0375)T257.CB) [> 4.6002 = 7.6670 < 9.9671] w=0.0118 to align # Constraint # added constraint: constraint((T0375)I94.CB, (T0375)E137.CB) [> 3.8112 = 6.3520 < 8.2576] w=0.0081 to align # Constraint # added constraint: constraint((T0375)A41.CB, (T0375)G255.CA) [> 4.5914 = 7.6524 < 9.9481] w=0.0081 to align # Constraint # added constraint: constraint((T0375)A41.CB, (T0375)T257.CB) [> 2.7469 = 4.5781 < 5.9516] w=0.0081 to align # Constraint # added constraint: constraint((T0375)V7.CB, (T0375)I94.CB) [> 3.6978 = 6.1630 < 8.0119] w=0.0081 to align # Constraint # added constraint: constraint((T0375)G8.CA, (T0375)I94.CB) [> 2.8288 = 4.7147 < 6.1291] w=0.0081 to align # Constraint # added constraint: constraint((T0375)V10.CB, (T0375)T96.CB) [> 4.2653 = 7.1088 < 9.2414] w=0.0081 to align # Constraint # added constraint: constraint((T0375)V170.CB, (T0375)A217.CB) [> 3.3979 = 5.6632 < 7.3622] w=0.0081 to align # Constraint # added constraint: constraint((T0375)G253.CA, (T0375)V296.CB) [> 4.5678 = 7.6130 < 9.8969] w=0.0081 to align # Constraint # added constraint: constraint((T0375)L5.CB, (T0375)A41.CB) [> 2.2157 = 3.6929 < 4.8008] w=0.0081 to align # Constraint # added constraint: constraint((T0375)L5.CB, (T0375)S44.CB) [> 3.2441 = 5.4069 < 7.0289] w=0.0081 to align # Constraint # added constraint: constraint((T0375)L5.CB, (T0375)G138.CA) [> 4.7155 = 7.8592 < 10.2170] w=0.0081 to align # Constraint # added constraint: constraint((T0375)C6.CB, (T0375)G138.CA) [> 3.9838 = 6.6397 < 8.6317] w=0.0081 to align # Constraint # added constraint: constraint((T0375)V10.CB, (T0375)I94.CB) [> 4.1028 = 6.8380 < 8.8893] w=0.0081 to align # Constraint # added constraint: constraint((T0375)V11.CB, (T0375)T96.CB) [> 3.4253 = 5.7088 < 7.4215] w=0.0081 to align # Constraint # added constraint: constraint((T0375)L12.CB, (T0375)T96.CB) [> 4.7021 = 7.8368 < 10.1878] w=0.0081 to align # Constraint # added constraint: constraint((T0375)S60.CB, (T0375)T257.CB) [> 4.2927 = 7.1544 < 9.3008] w=0.0081 to align # Constraint # added constraint: constraint((T0375)T96.CB, (T0375)D250.CB) [> 4.7233 = 7.8722 < 10.2338] w=0.0081 to align # Constraint # added constraint: constraint((T0375)E137.CB, (T0375)T257.CB) [> 3.3417 = 5.5695 < 7.2404] w=0.0081 to align # Constraint # added constraint: constraint((T0375)T46.CB, (T0375)E137.CB) [> 4.7944 = 7.9906 < 10.3878] w=0.0081 to align # Constraint # added constraint: constraint((T0375)S44.CB, (T0375)N140.CB) [> 4.7426 = 7.9043 < 10.2756] w=0.0081 to align # Constraint # added constraint: constraint((T0375)N140.CB, (T0375)P160.CB) [> 4.7329 = 7.8882 < 10.2547] w=0.0081 to align # Constraint # added constraint: constraint((T0375)V10.CB, (T0375)N140.CB) [> 3.3920 = 5.6533 < 7.3492] w=0.0081 to align # Constraint # added constraint: constraint((T0375)A41.CB, (T0375)P160.CB) [> 3.6451 = 6.0752 < 7.8977] w=0.0081 to align # Constraint # added constraint: constraint((T0375)Y183.CB, (T0375)S271.CB) [> 4.6927 = 7.8212 < 10.1675] w=0.0081 to align # Constraint # added constraint: constraint((T0375)V170.CB, (T0375)V187.CB) [> 4.6936 = 7.8226 < 10.1694] w=0.0081 to align # Constraint # added constraint: constraint((T0375)C221.CB, (T0375)G253.CA) [> 2.4909 = 4.1516 < 5.3970] w=0.0080 to align # Constraint # added constraint: constraint((T0375)V220.CB, (T0375)G253.CA) [> 3.8155 = 6.3591 < 8.2669] w=0.0080 to align # Constraint # added constraint: constraint((T0375)L219.CB, (T0375)L252.CB) [> 4.2767 = 7.1278 < 9.2661] w=0.0080 to align # Constraint # added constraint: constraint((T0375)V218.CB, (T0375)L252.CB) [> 3.3024 = 5.5041 < 7.1553] w=0.0080 to align # Constraint # added constraint: constraint((T0375)A217.CB, (T0375)D250.CB) [> 4.4282 = 7.3804 < 9.5945] w=0.0080 to align # Constraint # added constraint: constraint((T0375)C55.CB, (T0375)I136.CB) [> 4.6657 = 7.7762 < 10.1090] w=0.0080 to align # Constraint # added constraint: constraint((T0375)N140.CB, (T0375)A217.CB) [> 4.5137 = 7.5229 < 9.7798] w=0.0080 to align # Constraint # added constraint: constraint((T0375)N140.CB, (T0375)V218.CB) [> 4.5018 = 7.5030 < 9.7539] w=0.0080 to align # Constraint # added constraint: constraint((T0375)S16.CB, (T0375)F57.CB) [> 4.2515 = 7.0858 < 9.2115] w=0.0079 to align # Constraint # added constraint: constraint((T0375)S16.CB, (T0375)A41.CB) [> 3.2044 = 5.3406 < 6.9428] w=0.0079 to align # Constraint # added constraint: constraint((T0375)M58.CB, (T0375)L209.CB) [> 3.9963 = 6.6605 < 8.6586] w=0.0079 to align # Constraint # added constraint: constraint((T0375)L5.CB, (T0375)C221.CB) [> 3.7740 = 6.2900 < 8.1770] w=0.0079 to align # Constraint # added constraint: constraint((T0375)L5.CB, (T0375)L219.CB) [> 2.7282 = 4.5470 < 5.9111] w=0.0079 to align # Constraint # added constraint: constraint((T0375)L5.CB, (T0375)F188.CB) [> 3.1680 = 5.2800 < 6.8640] w=0.0079 to align # Constraint # added constraint: constraint((T0375)L5.CB, (T0375)V187.CB) [> 4.0113 = 6.6856 < 8.6912] w=0.0079 to align # Constraint # added constraint: constraint((T0375)L5.CB, (T0375)V186.CB) [> 3.7701 = 6.2834 < 8.1685] w=0.0079 to align # Constraint # added constraint: constraint((T0375)V14.CB, (T0375)C221.CB) [> 4.6725 = 7.7875 < 10.1238] w=0.0079 to align # Constraint # added constraint: constraint((T0375)D13.CB, (T0375)G59.CA) [> 4.6289 = 7.7148 < 10.0293] w=0.0079 to align # Constraint # added constraint: constraint((T0375)L12.CB, (T0375)G59.CA) [> 3.4236 = 5.7060 < 7.4179] w=0.0079 to align # Constraint # added constraint: constraint((T0375)L12.CB, (T0375)M58.CB) [> 4.4475 = 7.4124 < 9.6362] w=0.0079 to align # Constraint # added constraint: constraint((T0375)L12.CB, (T0375)F57.CB) [> 3.1999 = 5.3331 < 6.9331] w=0.0079 to align # Constraint # added constraint: constraint((T0375)V10.CB, (T0375)C221.CB) [> 3.5491 = 5.9152 < 7.6898] w=0.0079 to align # Constraint # added constraint: constraint((T0375)G8.CA, (T0375)C221.CB) [> 3.8281 = 6.3801 < 8.2942] w=0.0079 to align # Constraint # added constraint: constraint((T0375)G8.CA, (T0375)V220.CB) [> 4.7695 = 7.9492 < 10.3339] w=0.0079 to align # Constraint # added constraint: constraint((T0375)V7.CB, (T0375)C221.CB) [> 2.9081 = 4.8469 < 6.3009] w=0.0079 to align # Constraint # added constraint: constraint((T0375)V7.CB, (T0375)F188.CB) [> 4.6188 = 7.6980 < 10.0074] w=0.0079 to align # Constraint # added constraint: constraint((T0375)C6.CB, (T0375)C221.CB) [> 4.0576 = 6.7627 < 8.7916] w=0.0079 to align # Constraint # added constraint: constraint((T0375)C6.CB, (T0375)V220.CB) [> 3.0899 = 5.1499 < 6.6948] w=0.0079 to align # Constraint # added constraint: constraint((T0375)C6.CB, (T0375)L219.CB) [> 3.9440 = 6.5733 < 8.5452] w=0.0079 to align # Constraint # added constraint: constraint((T0375)C6.CB, (T0375)V218.CB) [> 3.7114 = 6.1856 < 8.0413] w=0.0079 to align # Constraint # added constraint: constraint((T0375)C6.CB, (T0375)L209.CB) [> 3.3854 = 5.6424 < 7.3351] w=0.0079 to align # Constraint # added constraint: constraint((T0375)F188.CB, (T0375)V218.CB) [> 3.5860 = 5.9767 < 7.7697] w=0.0079 to align # Constraint # added constraint: constraint((T0375)F188.CB, (T0375)A217.CB) [> 3.9788 = 6.6313 < 8.6207] w=0.0079 to align # Constraint # added constraint: constraint((T0375)I136.CB, (T0375)T257.CB) [> 4.0218 = 6.7029 < 8.7138] w=0.0079 to align # Constraint # added constraint: constraint((T0375)I134.CB, (T0375)A217.CB) [> 4.2129 = 7.0216 < 9.1280] w=0.0079 to align # Constraint # added constraint: constraint((T0375)I134.CB, (T0375)L209.CB) [> 3.7491 = 6.2484 < 8.1230] w=0.0079 to align # Constraint # added constraint: constraint((T0375)C55.CB, (T0375)E161.CB) [> 4.6443 = 7.7406 < 10.0627] w=0.0079 to align # Constraint # added constraint: constraint((T0375)I94.CB, (T0375)V218.CB) [> 4.7194 = 7.8656 < 10.2253] w=0.0079 to align # Constraint # added constraint: constraint((T0375)T96.CB, (T0375)I134.CB) [> 3.8009 = 6.3348 < 8.2353] w=0.0079 to align # Constraint # added constraint: constraint((T0375)T96.CB, (T0375)H135.CB) [> 3.7089 = 6.1815 < 8.0359] w=0.0079 to align # Constraint # added constraint: constraint((T0375)H135.CB, (T0375)V220.CB) [> 4.4051 = 7.3418 < 9.5443] w=0.0079 to align # Constraint # added constraint: constraint((T0375)C6.CB, (T0375)I47.CB) [> 4.4066 = 7.3443 < 9.5476] w=0.0079 to align # Constraint # added constraint: constraint((T0375)I47.CB, (T0375)H135.CB) [> 3.9227 = 6.5378 < 8.4992] w=0.0079 to align # Constraint # added constraint: constraint((T0375)A41.CB, (T0375)T96.CB) [> 4.3701 = 7.2835 < 9.4685] w=0.0078 to align # Constraint # added constraint: constraint((T0375)S44.CB, (T0375)I94.CB) [> 3.7661 = 6.2768 < 8.1599] w=0.0078 to align # Constraint # added constraint: constraint((T0375)S44.CB, (T0375)T96.CB) [> 4.1777 = 6.9629 < 9.0517] w=0.0078 to align # Constraint # added constraint: constraint((T0375)C55.CB, (T0375)I94.CB) [> 3.6925 = 6.1542 < 8.0004] w=0.0078 to align # Constraint # added constraint: constraint((T0375)F57.CB, (T0375)T96.CB) [> 3.7952 = 6.3253 < 8.2229] w=0.0078 to align # Constraint # added constraint: constraint((T0375)L237.CB, (T0375)R247.CB) [> 4.4652 = 7.4419 < 9.6745] w=0.0078 to align # Constraint # added constraint: constraint((T0375)R247.CB, (T0375)T257.CB) [> 3.0654 = 5.1091 < 6.6418] w=0.0078 to align # Constraint # added constraint: constraint((T0375)L9.CB, (T0375)C55.CB) [> 4.7526 = 7.9209 < 10.2972] w=0.0078 to align # Constraint # added constraint: constraint((T0375)V14.CB, (T0375)T257.CB) [> 2.4836 = 4.1394 < 5.3812] w=0.0077 to align # Constraint # added constraint: constraint((T0375)G52.CA, (T0375)E161.CB) [> 4.7190 = 7.8649 < 10.2244] w=0.0077 to align # Constraint # added constraint: constraint((T0375)T96.CB, (T0375)E161.CB) [> 3.1149 = 5.1914 < 6.7489] w=0.0077 to align # Constraint # added constraint: constraint((T0375)T96.CB, (T0375)Q162.CB) [> 4.7752 = 7.9587 < 10.3464] w=0.0077 to align # Constraint # added constraint: constraint((T0375)C55.CB, (T0375)Q162.CB) [> 4.7470 = 7.9117 < 10.2852] w=0.0077 to align # Constraint # added constraint: constraint((T0375)N140.CB, (T0375)C221.CB) [> 4.7059 = 7.8432 < 10.1961] w=0.0073 to align # Constraint # added constraint: constraint((T0375)F188.CB, (T0375)T257.CB) [> 3.1173 = 5.1955 < 6.7542] w=0.0073 to align # Constraint # added constraint: constraint((T0375)E161.CB, (T0375)T257.CB) [> 2.5257 = 4.2095 < 5.4724] w=0.0073 to align # Constraint # added constraint: constraint((T0375)L209.CB, (T0375)D250.CB) [> 4.4800 = 7.4667 < 9.7067] w=0.0057 to align # Constraint # added constraint: constraint((T0375)I136.CB, (T0375)V186.CB) [> 4.2684 = 7.1140 < 9.2482] w=0.0050 to align # Constraint # added constraint: constraint((T0375)L209.CB, (T0375)T257.CB) [> 3.4158 = 5.6930 < 7.4009] w=0.0050 to align # Constraint # added constraint: constraint((T0375)E137.CB, (T0375)V187.CB) [> 4.1125 = 6.8542 < 8.9104] w=0.0050 to align # Constraint # added constraint: constraint((T0375)G138.CA, (T0375)V187.CB) [> 3.3534 = 5.5889 < 7.2656] w=0.0050 to align # Constraint # added constraint: constraint((T0375)G138.CA, (T0375)F188.CB) [> 3.9963 = 6.6605 < 8.6587] w=0.0050 to align # Constraint # added constraint: constraint((T0375)V7.CB, (T0375)S44.CB) [> 3.4582 = 5.7636 < 7.4927] w=0.0041 to align # Constraint # added constraint: constraint((T0375)I47.CB, (T0375)P160.CB) [> 4.7586 = 7.9310 < 10.3103] w=0.0041 to align # Constraint # added constraint: constraint((T0375)M58.CB, (T0375)T257.CB) [> 3.9243 = 6.5405 < 8.5027] w=0.0041 to align # Constraint # added constraint: constraint((T0375)L5.CB, (T0375)S60.CB) [> 4.1958 = 6.9931 < 9.0910] w=0.0008 to align # SetCost created cost = # ( 1.0000 * align ) # command:# Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0375/ # command:# reading script from file servers-clean.under # Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0375/decoys/ # ReadConformPDB reading from PDB file ../4mer/decoys/4mer-1rk2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 292 # copying to AlignedFragments data structure # naming current conformation 4mer//4mer-1rk2 # ReadConformPDB reading from PDB file ../4mer/decoys/4mer-1rkd2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 292 # copying to AlignedFragments data structure # naming current conformation 4mer//4mer-1rkd2 # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-1rkd.pdb.gz looking for chain 'A' model 1 # Found a chain break before 292 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-1rkd # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0375 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0375 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0375 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS3 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0375 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0375 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS5 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0375 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0375 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0375 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 T0375 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 T0375 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 T0375 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 T0375 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 T0375 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 T0375 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 T0375 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 197 # 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 200 # 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 231 # 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 164 # 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 164 # 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 281 # 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 285 # 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 272 # 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 264 # 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 294 # 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 288 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS1.pdb.gz looking for model 1 # Found a chain break before 294 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS2.pdb.gz looking for model 1 # Found a chain break before 227 # 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 200 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS4.pdb.gz looking for model 1 # Found a chain break before 289 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS5.pdb.gz looking for model 1 # Found a chain break before 240 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # Found a chain break before 295 # 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 292 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # Found a chain break before 289 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS3 # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0375 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS4 # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # Found a chain break before 290 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS5 # ReadConformPDB reading from PDB file servers/CPHmodels_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0375 can't currently be optimized by undertaker # naming current conformation CPHmodels_TS1 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # Found a chain break before 247 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS1 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0375 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 T0375 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 # Found a chain break before 246 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS4 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0375 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 T0375 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 T0375 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 T0375 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 T0375 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 T0375 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 292 # 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 T0375 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS2 # ReadConformPDB reading from PDB file servers/FAMSD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0375 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 # Found a chain break before 233 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS4 # ReadConformPDB reading from PDB file servers/FAMSD_TS5.pdb.gz looking for model 1 # Found a chain break before 247 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS5 # ReadConformPDB reading from PDB file servers/FAMS_TS1.pdb.gz looking for model 1 # Found a chain break before 295 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # Found a chain break before 292 # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # ReadConformPDB reading from PDB file servers/FAMS_TS3.pdb.gz looking for model 1 # Found a chain break before 295 # 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 289 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # ReadConformPDB reading from PDB file servers/FAMS_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0375 can't currently be optimized by undertaker # 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 244 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # ReadConformPDB reading from PDB file servers/FOLDpro_TS2.pdb.gz looking for model 1 # Found a chain break before 246 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # ReadConformPDB reading from PDB file servers/FOLDpro_TS3.pdb.gz looking for model 1 # Found a chain break before 215 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # ReadConformPDB reading from PDB file servers/FOLDpro_TS4.pdb.gz looking for model 1 # Found a chain break before 231 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # ReadConformPDB reading from PDB file servers/FOLDpro_TS5.pdb.gz looking for model 1 # Found a chain break before 252 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # ReadConformPDB reading from PDB file servers/FORTE1_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0375 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # ReadConformPDB reading from PDB file servers/FORTE1_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0375 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL3 # ReadConformPDB reading from PDB file servers/FORTE1_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0375 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL4 # ReadConformPDB reading from PDB file servers/FORTE1_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0375 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 T0375 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 T0375 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 T0375 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL3 # ReadConformPDB reading from PDB file servers/FORTE2_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0375 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL5 # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS1.pdb.gz looking for model 1 # Found a chain break before 233 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS2.pdb.gz looking for model 1 # Found a chain break before 257 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS3.pdb.gz looking for model 1 # Found a chain break before 259 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS4.pdb.gz looking for model 1 # Found a chain break before 243 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS5.pdb.gz looking for model 1 # Found a chain break before 294 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS1 # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0375 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 # Found a chain break before 286 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS3 # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # Found a chain break before 287 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS4 # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0375 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS5 # ReadConformPDB reading from PDB file servers/FUGUE_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0375 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 T0375 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # ReadConformPDB reading from PDB file servers/FUGUE_AL3.pdb.gz looking for model 1 Skipped atom 100, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 102, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 104, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 106, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 108, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 110, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 112, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 114, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 116, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 118, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 120, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 122, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 124, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 126, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz # WARNING: incomplete conformation T0375 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 T0375 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # ReadConformPDB reading from PDB file servers/FUGUE_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0375 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # ReadConformPDB reading from PDB file servers/FUNCTION_TS1.pdb.gz looking for model 1 # Found a chain break before 292 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # ReadConformPDB reading from PDB file servers/FUNCTION_TS2.pdb.gz looking for model 1 # Found a chain break before 275 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # ReadConformPDB reading from PDB file servers/FUNCTION_TS3.pdb.gz looking for model 1 # Found a chain break before 283 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # ReadConformPDB reading from PDB file servers/FUNCTION_TS4.pdb.gz looking for model 1 # Found a chain break before 295 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # ReadConformPDB reading from PDB file servers/FUNCTION_TS5.pdb.gz looking for model 1 # Found a chain break before 294 # 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 243 # 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 243 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS2 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0375 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS1 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS2.pdb.gz looking for model 1 # Found a chain break before 216 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0375 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS3 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # Found a chain break before 278 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS4 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS5 # ReadConformPDB reading from PDB file servers/HHpred1_TS1.pdb.gz looking for model 1 # Found a chain break before 278 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # ReadConformPDB reading from PDB file servers/HHpred2_TS1.pdb.gz looking for model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # ReadConformPDB reading from PDB file servers/HHpred3_TS1.pdb.gz looking for model 1 # Found a chain break before 292 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0375 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 T0375 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 T0375 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 T0375 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 T0375 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # ReadConformPDB reading from PDB file servers/LOOPP_TS1.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # naming current conformation LOOPP_TS1 # ReadConformPDB reading from PDB file servers/LOOPP_TS2.pdb.gz looking for model 1 # Found a chain break before 11 # copying to AlignedFragments data structure # naming current conformation LOOPP_TS2 # ReadConformPDB reading from PDB file servers/LOOPP_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0375 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 # Found a chain break before 212 # copying to AlignedFragments data structure # naming current conformation LOOPP_TS4 # ReadConformPDB reading from PDB file servers/LOOPP_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0375 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation LOOPP_TS5 # ReadConformPDB reading from PDB file servers/MIG_FROST_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0375 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 200 # 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 217 # 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 116 # 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 209 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS4 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS5.pdb.gz looking for model 1 # Found a chain break before 80 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS5 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # Found a chain break before 223 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS2.pdb.gz looking for model 1 # Found a chain break before 217 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS3.pdb.gz looking for model 1 # Found a chain break before 198 # 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 198 # 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 116 # 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 291 # 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 295 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0375 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation NN_PUT_lab_TS1 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS1.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS1 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS2.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS2 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS3.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS3 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS4.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS4 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS5.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS5 # ReadConformPDB reading from PDB file servers/PROTINFO_TS1.pdb.gz looking for model 1 # Found a chain break before 245 # 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 273 # 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 282 # 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 242 # 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 246 # 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 T0375 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS1 # ReadConformPDB reading from PDB file servers/Pcons6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0375 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS2 # ReadConformPDB reading from PDB file servers/Pcons6_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0375 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 T0375 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 T0375 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS5 # ReadConformPDB reading from PDB file servers/Phyre-1_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0375 can't currently be optimized by undertaker # copying to AlignedFragments data structure # 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 249 # 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 284 # 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 # WARNING: incomplete conformation T0375 can't currently be optimized by undertaker # 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 266 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # ReadConformPDB reading from PDB file servers/Phyre-2_TS5.pdb.gz looking for model 1 # Found a chain break before 289 # 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 271 # 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 213 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0375 can't currently be optimized by undertaker # 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 267 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS4 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS5.pdb.gz looking for model 1 # Found a chain break before 204 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS5 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS1.pdb.gz looking for model 1 # Found a chain break before 294 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS2.pdb.gz looking for model 1 # Found a chain break before 294 # 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 212 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS4.pdb.gz looking for model 1 # Found a chain break before 232 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS5.pdb.gz looking for model 1 # Found a chain break before 239 # 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 158 # 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 245 # 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 244 # 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 243 # 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 243 # 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 242 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # ReadConformPDB reading from PDB file servers/RAPTOR_TS2.pdb.gz looking for model 1 # Found a chain break before 268 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # ReadConformPDB reading from PDB file servers/RAPTOR_TS3.pdb.gz looking for model 1 # Found a chain break before 208 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # ReadConformPDB reading from PDB file servers/RAPTOR_TS4.pdb.gz looking for model 1 # Found a chain break before 235 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # ReadConformPDB reading from PDB file servers/RAPTOR_TS5.pdb.gz looking for model 1 # Found a chain break before 162 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # ReadConformPDB reading from PDB file servers/ROBETTA_TS1.pdb.gz looking for model 1 # Found a chain break before 203 # 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 204 # 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 266 # 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 267 # 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 271 # 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 294 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 # Found a chain break before 294 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # ReadConformPDB reading from PDB file servers/ROKKY_TS3.pdb.gz looking for model 1 # Found a chain break before 269 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # ReadConformPDB reading from PDB file servers/ROKKY_TS4.pdb.gz looking for model 1 # Found a chain break before 294 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # ReadConformPDB reading from PDB file servers/ROKKY_TS5.pdb.gz looking for model 1 # Found a chain break before 239 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # ReadConformPDB reading from PDB file servers/SAM-T02_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0375 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 T0375 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 T0375 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 T0375 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 T0375 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 T0375 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 T0375 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 T0375 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 T0375 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 T0375 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 294 # 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 T0375 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 T0375 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 T0375 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 T0375 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 268 # 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 198 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # ReadConformPDB reading from PDB file servers/SP3_TS3.pdb.gz looking for model 1 # Found a chain break before 294 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # ReadConformPDB reading from PDB file servers/SP3_TS4.pdb.gz looking for model 1 # Found a chain break before 93 # 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 278 # 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 200 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # ReadConformPDB reading from PDB file servers/SP4_TS2.pdb.gz looking for model 1 # Found a chain break before 184 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # ReadConformPDB reading from PDB file servers/SP4_TS3.pdb.gz looking for model 1 # Found a chain break before 209 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # ReadConformPDB reading from PDB file servers/SP4_TS4.pdb.gz looking for model 1 # Found a chain break before 246 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # ReadConformPDB reading from PDB file servers/SP4_TS5.pdb.gz looking for model 1 # Found a chain break before 294 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # ReadConformPDB reading from PDB file servers/SPARKS2_TS1.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # ReadConformPDB reading from PDB file servers/SPARKS2_TS2.pdb.gz looking for model 1 # Found a chain break before 212 # 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 158 # 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 246 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # ReadConformPDB reading from PDB file servers/SPARKS2_TS5.pdb.gz looking for model 1 # Found a chain break before 284 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0375 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 T0375 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 T0375 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0375 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0375 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # ReadConformPDB reading from PDB file servers/UNI-EID_expm_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0375 can't currently be optimized by undertaker # copying to AlignedFragments data structure # 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 T0375 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 T0375 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 T0375 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0375 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0375 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # ReadConformPDB reading from PDB file servers/Zhang-Server_TS1.pdb.gz looking for model 1 # Found a chain break before 159 # 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 294 # 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 199 # 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 291 # 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 225 # 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 294 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # ReadConformPDB reading from PDB file servers/beautshotbase_TS1.pdb.gz looking for model 1 # Found a chain break before 292 # copying to AlignedFragments data structure # naming current conformation beautshotbase_TS1 # ReadConformPDB reading from PDB file servers/forecast-s_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0375 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL1 # ReadConformPDB reading from PDB file servers/forecast-s_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0375 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 T0375 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # ReadConformPDB reading from PDB file servers/forecast-s_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0375 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 224 # 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 224 # 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 294 # 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 243 # 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 251 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS1.pdb.gz looking for model 1 # Found a chain break before 294 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS2.pdb.gz looking for model 1 WARNING: atoms too close: (T0375)V220.O and (T0375)C221.N only 0.000 apart, marking (T0375)C221.N as missing WARNING: atoms too close: (T0375)H239.O and (T0375)S240.N only 0.000 apart, marking (T0375)S240.N as missing WARNING: atoms too close: (T0375)V282.O and (T0375)A283.N only 0.000 apart, marking (T0375)A283.N as missing # WARNING: incomplete conformation T0375 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS3.pdb.gz looking for model 1 # Found a chain break before 293 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS4.pdb.gz looking for model 1 # Found a chain break before 293 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS5.pdb.gz looking for model 1 WARNING: atoms too close: (T0375)G90.O and (T0375)S91.N only 0.000 apart, marking (T0375)S91.N as missing # WARNING: incomplete conformation T0375 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # ReadConformPDB reading from PDB file servers/karypis.srv_TS1.pdb.gz looking for model 1 # Found a chain break before 223 # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS1 # ReadConformPDB reading from PDB file servers/karypis.srv_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0375 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS2 # ReadConformPDB reading from PDB file servers/karypis.srv_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0375 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 T0375 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS4 # ReadConformPDB reading from PDB file servers/karypis.srv_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0375 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # ReadConformPDB reading from PDB file servers/mGen-3D_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0375 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 T0375 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 T0375 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # ReadConformPDB reading from PDB file servers/nFOLD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0375 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 T0375 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 T0375 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: (T0375)P93.N and (T0375)I94.N only 0.000 apart, marking (T0375)I94.N as missing WARNING: atoms too close: (T0375)P93.CA and (T0375)I94.CA only 0.000 apart, marking (T0375)I94.CA as missing WARNING: atoms too close: (T0375)P93.CB and (T0375)I94.CB only 0.000 apart, marking (T0375)I94.CB as missing WARNING: atoms too close: (T0375)P93.O and (T0375)I94.O only 0.000 apart, marking (T0375)I94.O as missing WARNING: atoms too close: (T0375)P93.C and (T0375)I94.C only 0.000 apart, marking (T0375)I94.C as missing WARNING: atoms too close: (T0375)I94.N and (T0375)A95.N only 0.000 apart, marking (T0375)I94.N as missing WARNING: atoms too close: (T0375)P93.N and (T0375)A95.N only 0.000 apart, marking (T0375)A95.N as missing WARNING: atoms too close: (T0375)I94.CA and (T0375)A95.CA only 0.000 apart, marking (T0375)A95.CA as missing WARNING: atoms too close: (T0375)P93.CA and (T0375)A95.CA only 0.000 apart, marking (T0375)A95.CA as missing WARNING: atoms too close: (T0375)I94.CB and (T0375)A95.CB only 0.000 apart, marking (T0375)A95.CB as missing WARNING: atoms too close: (T0375)P93.CB and (T0375)A95.CB only 0.000 apart, marking (T0375)A95.CB as missing WARNING: atoms too close: (T0375)I94.O and (T0375)A95.O only 0.000 apart, marking (T0375)A95.O as missing WARNING: atoms too close: (T0375)P93.O and (T0375)A95.O only 0.000 apart, marking (T0375)A95.O as missing WARNING: atoms too close: (T0375)I94.C and (T0375)A95.C only 0.000 apart, marking (T0375)A95.C as missing WARNING: atoms too close: (T0375)P93.C and (T0375)A95.C only 0.000 apart, marking (T0375)A95.C as missing WARNING: atoms too close: (T0375)A95.N and (T0375)T96.N only 0.000 apart, marking (T0375)A95.N as missing WARNING: atoms too close: (T0375)I94.N and (T0375)T96.N only 0.000 apart, marking (T0375)I94.N as missing WARNING: atoms too close: (T0375)P93.N and (T0375)T96.N only 0.000 apart, marking (T0375)T96.N as missing WARNING: atoms too close: (T0375)A95.CA and (T0375)T96.CA only 0.000 apart, marking (T0375)T96.CA as missing WARNING: atoms too close: (T0375)I94.CA and (T0375)T96.CA only 0.000 apart, marking (T0375)T96.CA as missing WARNING: atoms too close: (T0375)P93.CA and (T0375)T96.CA only 0.000 apart, marking (T0375)T96.CA as missing WARNING: atoms too close: (T0375)A95.CB and (T0375)T96.CB only 0.000 apart, marking (T0375)T96.CB as missing WARNING: atoms too close: (T0375)I94.CB and (T0375)T96.CB only 0.000 apart, marking (T0375)T96.CB as missing WARNING: atoms too close: (T0375)P93.CB and (T0375)T96.CB only 0.000 apart, marking (T0375)T96.CB as missing WARNING: atoms too close: (T0375)I94.CG1 and (T0375)T96.CG2 only 0.000 apart, marking (T0375)T96.CG2 as missing WARNING: atoms too close: (T0375)A95.O and (T0375)T96.O only 0.000 apart, marking (T0375)T96.O as missing WARNING: atoms too close: (T0375)I94.O and (T0375)T96.O only 0.000 apart, marking (T0375)T96.O as missing WARNING: atoms too close: (T0375)P93.O and (T0375)T96.O only 0.000 apart, marking (T0375)T96.O as missing WARNING: atoms too close: (T0375)A95.C and (T0375)T96.C only 0.000 apart, marking (T0375)T96.C as missing WARNING: atoms too close: (T0375)I94.C and (T0375)T96.C only 0.000 apart, marking (T0375)T96.C as missing WARNING: atoms too close: (T0375)P93.C and (T0375)T96.C only 0.000 apart, marking (T0375)T96.C as missing WARNING: atoms too close: (T0375)T96.N and (T0375)I151.N only 0.000 apart, marking (T0375)T96.N as missing WARNING: atoms too close: (T0375)A95.N and (T0375)I151.N only 0.000 apart, marking (T0375)A95.N as missing WARNING: atoms too close: (T0375)I94.N and (T0375)I151.N only 0.000 apart, marking (T0375)I94.N as missing WARNING: atoms too close: (T0375)P93.N and (T0375)I151.N only 0.000 apart, marking (T0375)I151.N as missing WARNING: atoms too close: (T0375)T96.CA and (T0375)I151.CA only 0.000 apart, marking (T0375)I151.CA as missing WARNING: atoms too close: (T0375)A95.CA and (T0375)I151.CA only 0.000 apart, marking (T0375)I151.CA as missing WARNING: atoms too close: (T0375)I94.CA and (T0375)I151.CA only 0.000 apart, marking (T0375)I151.CA as missing WARNING: atoms too close: (T0375)P93.CA and (T0375)I151.CA only 0.000 apart, marking (T0375)I151.CA as missing WARNING: atoms too close: (T0375)T96.CB and (T0375)I151.CB only 0.000 apart, marking (T0375)I151.CB as missing WARNING: atoms too close: (T0375)A95.CB and (T0375)I151.CB only 0.000 apart, marking (T0375)I151.CB as missing WARNING: atoms too close: (T0375)I94.CB and (T0375)I151.CB only 0.000 apart, marking (T0375)I151.CB as missing WARNING: atoms too close: (T0375)P93.CB and (T0375)I151.CB only 0.000 apart, marking (T0375)I151.CB as missing WARNING: atoms too close: (T0375)T96.CG2 and (T0375)I151.CG1 only 0.000 apart, marking (T0375)I151.CG1 as missing WARNING: atoms too close: (T0375)I94.CG1 and (T0375)I151.CG1 only 0.000 apart, marking (T0375)I151.CG1 as missing WARNING: atoms too close: (T0375)T96.O and (T0375)I151.O only 0.000 apart, marking (T0375)I151.O as missing WARNING: atoms too close: (T0375)A95.O and (T0375)I151.O only 0.000 apart, marking (T0375)I151.O as missing WARNING: atoms too close: (T0375)I94.O and (T0375)I151.O only 0.000 apart, marking (T0375)I151.O as missing WARNING: atoms too close: (T0375)P93.O and (T0375)I151.O only 0.000 apart, marking (T0375)I151.O as missing WARNING: atoms too close: (T0375)T96.C and (T0375)I151.C only 0.000 apart, marking (T0375)I151.C as missing WARNING: atoms too close: (T0375)A95.C and (T0375)I151.C only 0.000 apart, marking (T0375)I151.C as missing WARNING: atoms too close: (T0375)I94.C and (T0375)I151.C only 0.000 apart, marking (T0375)I151.C as missing WARNING: atoms too close: (T0375)P93.C and (T0375)I151.C only 0.000 apart, marking (T0375)I151.C as missing WARNING: atoms too close: (T0375)I151.N and (T0375)D152.N only 0.000 apart, marking (T0375)I151.N as missing WARNING: atoms too close: (T0375)T96.N and (T0375)D152.N only 0.000 apart, marking (T0375)T96.N as missing WARNING: atoms too close: (T0375)A95.N and (T0375)D152.N only 0.000 apart, marking (T0375)A95.N as missing WARNING: atoms too close: (T0375)I94.N and (T0375)D152.N only 0.000 apart, marking (T0375)I94.N as missing WARNING: atoms too close: (T0375)P93.N and (T0375)D152.N only 0.000 apart, marking (T0375)D152.N as missing WARNING: atoms too close: (T0375)I151.CA and (T0375)D152.CA only 0.000 apart, marking (T0375)D152.CA as missing WARNING: atoms too close: (T0375)T96.CA and (T0375)D152.CA only 0.000 apart, marking (T0375)D152.CA as missing WARNING: atoms too close: (T0375)A95.CA and (T0375)D152.CA only 0.000 apart, marking (T0375)D152.CA as missing WARNING: atoms too close: (T0375)I94.CA and (T0375)D152.CA only 0.000 apart, marking (T0375)D152.CA as missing WARNING: atoms too close: (T0375)P93.CA and (T0375)D152.CA only 0.000 apart, marking (T0375)D152.CA as missing WARNING: atoms too close: (T0375)I151.CB and (T0375)D152.CB only 0.000 apart, marking (T0375)D152.CB as missing WARNING: atoms too close: (T0375)T96.CB and (T0375)D152.CB only 0.000 apart, marking (T0375)D152.CB as missing WARNING: atoms too close: (T0375)A95.CB and (T0375)D152.CB only 0.000 apart, marking (T0375)D152.CB as missing WARNING: atoms too close: (T0375)I94.CB and (T0375)D152.CB only 0.000 apart, marking (T0375)D152.CB as missing WARNING: atoms too close: (T0375)P93.CB and (T0375)D152.CB only 0.000 apart, marking (T0375)D152.CB as missing WARNING: atoms too close: (T0375)I151.CG1 and (T0375)D152.CG only 0.000 apart, marking (T0375)D152.CG as missing WARNING: atoms too close: (T0375)T96.CG2 and (T0375)D152.CG only 0.000 apart, marking (T0375)D152.CG as missing WARNING: atoms too close: (T0375)I94.CG1 and (T0375)D152.CG only 0.000 apart, marking (T0375)D152.CG as missing WARNING: atoms too close: (T0375)I151.O and (T0375)D152.O only 0.000 apart, marking (T0375)D152.O as missing WARNING: atoms too close: (T0375)T96.O and (T0375)D152.O only 0.000 apart, marking (T0375)D152.O as missing WARNING: atoms too close: (T0375)A95.O and (T0375)D152.O only 0.000 apart, marking (T0375)D152.O as missing WARNING: atoms too close: (T0375)I94.O and (T0375)D152.O only 0.000 apart, marking (T0375)D152.O as missing WARNING: atoms too close: (T0375)P93.O and (T0375)D152.O only 0.000 apart, marking (T0375)D152.O as missing WARNING: atoms too close: (T0375)I151.C and (T0375)D152.C only 0.000 apart, marking (T0375)D152.C as missing WARNING: atoms too close: (T0375)T96.C and (T0375)D152.C only 0.000 apart, marking (T0375)D152.C as missing WARNING: atoms too close: (T0375)A95.C and (T0375)D152.C only 0.000 apart, marking (T0375)D152.C as missing WARNING: atoms too close: (T0375)I94.C and (T0375)D152.C only 0.000 apart, marking (T0375)D152.C as missing WARNING: atoms too close: (T0375)P93.C and (T0375)D152.C only 0.000 apart, marking (T0375)D152.C as missing WARNING: atoms too close: (T0375)D152.N and (T0375)A153.N only 0.000 apart, marking (T0375)D152.N as missing WARNING: atoms too close: (T0375)I151.N and (T0375)A153.N only 0.000 apart, marking (T0375)I151.N as missing WARNING: atoms too close: (T0375)T96.N and (T0375)A153.N only 0.000 apart, marking (T0375)T96.N as missing WARNING: atoms too close: (T0375)A95.N and (T0375)A153.N only 0.000 apart, marking (T0375)A95.N as missing WARNING: atoms too close: (T0375)I94.N and (T0375)A153.N only 0.000 apart, marking (T0375)I94.N as missing WARNING: atoms too close: (T0375)P93.N and (T0375)A153.N only 0.000 apart, marking (T0375)A153.N as missing WARNING: atoms too close: (T0375)D152.CA and (T0375)A153.CA only 0.000 apart, marking (T0375)A153.CA as missing WARNING: atoms too close: (T0375)I151.CA and (T0375)A153.CA only 0.000 apart, marking (T0375)A153.CA as missing WARNING: atoms too close: (T0375)T96.CA and (T0375)A153.CA only 0.000 apart, marking (T0375)A153.CA as missing WARNING: atoms too close: (T0375)A95.CA and (T0375)A153.CA only 0.000 apart, marking (T0375)A153.CA as missing WARNING: atoms too close: (T0375)I94.CA and (T0375)A153.CA only 0.000 apart, marking (T0375)A153.CA as missing WARNING: atoms too close: (T0375)P93.CA and (T0375)A153.CA only 0.000 apart, marking (T0375)A153.CA as missing WARNING: atoms too close: (T0375)D152.CB and (T0375)A153.CB only 0.000 apart, marking (T0375)A153.CB as missing WARNING: atoms too close: (T0375)I151.CB and (T0375)A153.CB only 0.000 apart, marking (T0375)A153.CB as missing WARNING: atoms too close: (T0375)T96.CB and (T0375)A153.CB only 0.000 apart, marking (T0375)A153.CB as missing WARNING: atoms too close: (T0375)A95.CB and (T0375)A153.CB only 0.000 apart, marking (T0375)A153.CB as missing WARNING: atoms too close: (T0375)I94.CB and (T0375)A153.CB only 0.000 apart, marking (T0375)A153.CB as missing WARNING: atoms too close: (T0375)P93.CB and (T0375)A153.CB only 0.000 apart, marking (T0375)A153.CB as missing WARNING: atoms too close: (T0375)D152.O and (T0375)A153.O only 0.000 apart, marking (T0375)A153.O as missing WARNING: atoms too close: (T0375)I151.O and (T0375)A153.O only 0.000 apart, marking (T0375)A153.O as missing WARNING: atoms too close: (T0375)T96.O and (T0375)A153.O only 0.000 apart, marking (T0375)A153.O as missing WARNING: atoms too close: (T0375)A95.O and (T0375)A153.O only 0.000 apart, marking (T0375)A153.O as missing WARNING: atoms too close: (T0375)I94.O and (T0375)A153.O only 0.000 apart, marking (T0375)A153.O as missing WARNING: atoms too close: (T0375)P93.O and (T0375)A153.O only 0.000 apart, marking (T0375)A153.O as missing WARNING: atoms too close: (T0375)D152.C and (T0375)A153.C only 0.000 apart, marking (T0375)A153.C as missing WARNING: atoms too close: (T0375)I151.C and (T0375)A153.C only 0.000 apart, marking (T0375)A153.C as missing WARNING: atoms too close: (T0375)T96.C and (T0375)A153.C only 0.000 apart, marking (T0375)A153.C as missing WARNING: atoms too close: (T0375)A95.C and (T0375)A153.C only 0.000 apart, marking (T0375)A153.C as missing WARNING: atoms too close: (T0375)I94.C and (T0375)A153.C only 0.000 apart, marking (T0375)A153.C as missing WARNING: atoms too close: (T0375)P93.C and (T0375)A153.C only 0.000 apart, marking (T0375)A153.C as missing WARNING: atoms too close: (T0375)A153.N and (T0375)H154.N only 0.000 apart, marking (T0375)A153.N as missing WARNING: atoms too close: (T0375)D152.N and (T0375)H154.N only 0.000 apart, marking (T0375)D152.N as missing WARNING: atoms too close: (T0375)I151.N and (T0375)H154.N only 0.000 apart, marking (T0375)I151.N as missing WARNING: atoms too close: (T0375)T96.N and (T0375)H154.N only 0.000 apart, marking (T0375)T96.N as missing WARNING: atoms too close: (T0375)A95.N and (T0375)H154.N only 0.000 apart, marking (T0375)A95.N as missing WARNING: atoms too close: (T0375)I94.N and (T0375)H154.N only 0.000 apart, marking (T0375)I94.N as missing WARNING: atoms too close: (T0375)P93.N and (T0375)H154.N only 0.000 apart, marking (T0375)H154.N as missing WARNING: atoms too close: (T0375)A153.CA and (T0375)H154.CA only 0.000 apart, marking (T0375)H154.CA as missing WARNING: atoms too close: (T0375)D152.CA and (T0375)H154.CA only 0.000 apart, marking (T0375)H154.CA as missing WARNING: atoms too close: (T0375)I151.CA and (T0375)H154.CA only 0.000 apart, marking (T0375)H154.CA as missing WARNING: atoms too close: (T0375)T96.CA and (T0375)H154.CA only 0.000 apart, marking (T0375)H154.CA as missing WARNING: atoms too close: (T0375)A95.CA and (T0375)H154.CA only 0.000 apart, marking (T0375)H154.CA as missing WARNING: atoms too close: (T0375)I94.CA and (T0375)H154.CA only 0.000 apart, marking (T0375)H154.CA as missing WARNING: atoms too close: (T0375)P93.CA and (T0375)H154.CA only 0.000 apart, marking (T0375)H154.CA as missing WARNING: atoms too close: (T0375)A153.CB and (T0375)H154.CB only 0.000 apart, marking (T0375)H154.CB as missing WARNING: atoms too close: (T0375)D152.CB and (T0375)H154.CB only 0.000 apart, marking (T0375)H154.CB as missing WARNING: atoms too close: (T0375)I151.CB and (T0375)H154.CB only 0.000 apart, marking (T0375)H154.CB as missing WARNING: atoms too close: (T0375)T96.CB and (T0375)H154.CB only 0.000 apart, marking (T0375)H154.CB as missing WARNING: atoms too close: (T0375)A95.CB and (T0375)H154.CB only 0.000 apart, marking (T0375)H154.CB as missing WARNING: atoms too close: (T0375)I94.CB and (T0375)H154.CB only 0.000 apart, marking (T0375)H154.CB as missing WARNING: atoms too close: (T0375)P93.CB and (T0375)H154.CB only 0.000 apart, marking (T0375)H154.CB as missing WARNING: atoms too close: (T0375)D152.CG and (T0375)H154.CG only 0.000 apart, marking (T0375)H154.CG as missing WARNING: atoms too close: (T0375)I151.CG1 and (T0375)H154.CG only 0.000 apart, marking (T0375)H154.CG as missing WARNING: atoms too close: (T0375)T96.CG2 and (T0375)H154.CG only 0.000 apart, marking (T0375)H154.CG as missing WARNING: atoms too close: (T0375)I94.CG1 and (T0375)H154.CG only 0.000 apart, marking (T0375)H154.CG as missing WARNING: atoms too close: (T0375)A153.O and (T0375)H154.O only 0.000 apart, marking (T0375)H154.O as missing WARNING: atoms too close: (T0375)D152.O and (T0375)H154.O only 0.000 apart, marking (T0375)H154.O as missing WARNING: atoms too close: (T0375)I151.O and (T0375)H154.O only 0.000 apart, marking (T0375)H154.O as missing WARNING: atoms too close: (T0375)T96.O and (T0375)H154.O only 0.000 apart, marking (T0375)H154.O as missing WARNING: atoms too close: (T0375)A95.O and (T0375)H154.O only 0.000 apart, marking (T0375)H154.O as missing WARNING: atoms too close: (T0375)I94.O and (T0375)H154.O only 0.000 apart, marking (T0375)H154.O as missing WARNING: atoms too close: (T0375)P93.O and (T0375)H154.O only 0.000 apart, marking (T0375)H154.O as missing WARNING: atoms too close: (T0375)A153.C and (T0375)H154.C only 0.000 apart, marking (T0375)H154.C as missing WARNING: atoms too close: (T0375)D152.C and (T0375)H154.C only 0.000 apart, marking (T0375)H154.C as missing WARNING: atoms too close: (T0375)I151.C and (T0375)H154.C only 0.000 apart, marking (T0375)H154.C as missing WARNING: atoms too close: (T0375)T96.C and (T0375)H154.C only 0.000 apart, marking (T0375)H154.C as missing WARNING: atoms too close: (T0375)A95.C and (T0375)H154.C only 0.000 apart, marking (T0375)H154.C as missing WARNING: atoms too close: (T0375)I94.C and (T0375)H154.C only 0.000 apart, marking (T0375)H154.C as missing WARNING: atoms too close: (T0375)P93.C and (T0375)H154.C only 0.000 apart, marking (T0375)H154.C as missing WARNING: atoms too close: (T0375)H154.N and (T0375)N155.N only 0.000 apart, marking (T0375)H154.N as missing WARNING: atoms too close: (T0375)A153.N and (T0375)N155.N only 0.000 apart, marking (T0375)A153.N as missing WARNING: atoms too close: (T0375)D152.N and (T0375)N155.N only 0.000 apart, marking (T0375)D152.N as missing WARNING: atoms too close: (T0375)I151.N and (T0375)N155.N only 0.000 apart, marking (T0375)I151.N as missing WARNING: atoms too close: (T0375)T96.N and (T0375)N155.N only 0.000 apart, marking (T0375)T96.N as missing WARNING: atoms too close: (T0375)A95.N and (T0375)N155.N only 0.000 apart, marking (T0375)A95.N as missing WARNING: atoms too close: (T0375)I94.N and (T0375)N155.N only 0.000 apart, marking (T0375)I94.N as missing WARNING: atoms too close: (T0375)P93.N and (T0375)N155.N only 0.000 apart, marking (T0375)N155.N as missing WARNING: atoms too close: (T0375)H154.CA and (T0375)N155.CA only 0.000 apart, marking (T0375)N155.CA as missing WARNING: atoms too close: (T0375)A153.CA and (T0375)N155.CA only 0.000 apart, marking (T0375)N155.CA as missing WARNING: atoms too close: (T0375)D152.CA and (T0375)N155.CA only 0.000 apart, marking (T0375)N155.CA as missing WARNING: atoms too close: (T0375)I151.CA and (T0375)N155.CA only 0.000 apart, marking (T0375)N155.CA as missing WARNING: atoms too close: (T0375)T96.CA and (T0375)N155.CA only 0.000 apart, marking (T0375)N155.CA as missing WARNING: atoms too close: (T0375)A95.CA and (T0375)N155.CA only 0.000 apart, marking (T0375)N155.CA as missing WARNING: atoms too close: (T0375)I94.CA and (T0375)N155.CA only 0.000 apart, marking (T0375)N155.CA as missing WARNING: atoms too close: (T0375)P93.CA and (T0375)N155.CA only 0.000 apart, marking (T0375)N155.CA as missing WARNING: atoms too close: (T0375)H154.CB and (T0375)N155.CB only 0.000 apart, marking (T0375)N155.CB as missing WARNING: atoms too close: (T0375)A153.CB and (T0375)N155.CB only 0.000 apart, marking (T0375)N155.CB as missing WARNING: atoms too close: (T0375)D152.CB and (T0375)N155.CB only 0.000 apart, marking (T0375)N155.CB as missing WARNING: atoms too close: (T0375)I151.CB and (T0375)N155.CB only 0.000 apart, marking (T0375)N155.CB as missing WARNING: atoms too close: (T0375)T96.CB and (T0375)N155.CB only 0.000 apart, marking (T0375)N155.CB as missing WARNING: atoms too close: (T0375)A95.CB and (T0375)N155.CB only 0.000 apart, marking (T0375)N155.CB as missing WARNING: atoms too close: (T0375)I94.CB and (T0375)N155.CB only 0.000 apart, marking (T0375)N155.CB as missing WARNING: atoms too close: (T0375)P93.CB and (T0375)N155.CB only 0.000 apart, marking (T0375)N155.CB as missing WARNING: atoms too close: (T0375)H154.CG and (T0375)N155.CG only 0.000 apart, marking (T0375)N155.CG as missing WARNING: atoms too close: (T0375)D152.CG and (T0375)N155.CG only 0.000 apart, marking (T0375)N155.CG as missing WARNING: atoms too close: (T0375)I151.CG1 and (T0375)N155.CG only 0.000 apart, marking (T0375)N155.CG as missing WARNING: atoms too close: (T0375)T96.CG2 and (T0375)N155.CG only 0.000 apart, marking (T0375)N155.CG as missing WARNING: atoms too close: (T0375)I94.CG1 and (T0375)N155.CG only 0.000 apart, marking (T0375)N155.CG as missing WARNING: atoms too close: (T0375)H154.O and (T0375)N155.O only 0.000 apart, marking (T0375)N155.O as missing WARNING: atoms too close: (T0375)A153.O and (T0375)N155.O only 0.000 apart, marking (T0375)N155.O as missing WARNING: atoms too close: (T0375)D152.O and (T0375)N155.O only 0.000 apart, marking (T0375)N155.O as missing WARNING: atoms too close: (T0375)I151.O and (T0375)N155.O only 0.000 apart, marking (T0375)N155.O as missing WARNING: atoms too close: (T0375)T96.O and (T0375)N155.O only 0.000 apart, marking (T0375)N155.O as missing WARNING: atoms too close: (T0375)A95.O and (T0375)N155.O only 0.000 apart, marking (T0375)N155.O as missing WARNING: atoms too close: (T0375)I94.O and (T0375)N155.O only 0.000 apart, marking (T0375)N155.O as missing WARNING: atoms too close: (T0375)P93.O and (T0375)N155.O only 0.000 apart, marking (T0375)N155.O as missing WARNING: atoms too close: (T0375)H154.C and (T0375)N155.C only 0.000 apart, marking (T0375)N155.C as missing WARNING: atoms too close: (T0375)A153.C and (T0375)N155.C only 0.000 apart, marking (T0375)N155.C as missing WARNING: atoms too close: (T0375)D152.C and (T0375)N155.C only 0.000 apart, marking (T0375)N155.C as missing WARNING: atoms too close: (T0375)I151.C and (T0375)N155.C only 0.000 apart, marking (T0375)N155.C as missing WARNING: atoms too close: (T0375)T96.C and (T0375)N155.C only 0.000 apart, marking (T0375)N155.C as missing WARNING: atoms too close: (T0375)A95.C and (T0375)N155.C only 0.000 apart, marking (T0375)N155.C as missing WARNING: atoms too close: (T0375)I94.C and (T0375)N155.C only 0.000 apart, marking (T0375)N155.C as missing WARNING: atoms too close: (T0375)P93.C and (T0375)N155.C only 0.000 apart, marking (T0375)N155.C as missing WARNING: atoms too close: (T0375)N155.N and (T0375)T156.N only 0.000 apart, marking (T0375)N155.N as missing WARNING: atoms too close: (T0375)H154.N and (T0375)T156.N only 0.000 apart, marking (T0375)H154.N as missing WARNING: atoms too close: (T0375)A153.N and (T0375)T156.N only 0.000 apart, marking (T0375)A153.N as missing WARNING: atoms too close: (T0375)D152.N and (T0375)T156.N only 0.000 apart, marking (T0375)D152.N as missing WARNING: atoms too close: (T0375)I151.N and (T0375)T156.N only 0.000 apart, marking (T0375)I151.N as missing WARNING: atoms too close: (T0375)T96.N and (T0375)T156.N only 0.000 apart, marking (T0375)T96.N as missing WARNING: atoms too close: (T0375)A95.N and (T0375)T156.N only 0.000 apart, marking (T0375)A95.N as missing WARNING: atoms too close: (T0375)I94.N and (T0375)T156.N only 0.000 apart, marking (T0375)I94.N as missing WARNING: atoms too close: (T0375)P93.N and (T0375)T156.N only 0.000 apart, marking (T0375)T156.N as missing WARNING: atoms too close: (T0375)N155.CA and (T0375)T156.CA only 0.000 apart, marking (T0375)T156.CA as missing WARNING: atoms too close: (T0375)H154.CA and (T0375)T156.CA only 0.000 apart, marking (T0375)T156.CA as missing WARNING: atoms too close: (T0375)A153.CA and (T0375)T156.CA only 0.000 apart, marking (T0375)T156.CA as missing WARNING: atoms too close: (T0375)D152.CA and (T0375)T156.CA only 0.000 apart, marking (T0375)T156.CA as missing WARNING: atoms too close: (T0375)I151.CA and (T0375)T156.CA only 0.000 apart, marking (T0375)T156.CA as missing WARNING: atoms too close: (T0375)T96.CA and (T0375)T156.CA only 0.000 apart, marking (T0375)T156.CA as missing WARNING: atoms too close: (T0375)A95.CA and (T0375)T156.CA only 0.000 apart, marking (T0375)T156.CA as missing WARNING: atoms too close: (T0375)I94.CA and (T0375)T156.CA only 0.000 apart, marking (T0375)T156.CA as missing WARNING: atoms too close: (T0375)P93.CA and (T0375)T156.CA only 0.000 apart, marking (T0375)T156.CA as missing WARNING: atoms too close: (T0375)N155.CB and (T0375)T156.CB only 0.000 apart, marking (T0375)T156.CB as missing WARNING: atoms too close: (T0375)H154.CB and (T0375)T156.CB only 0.000 apart, marking (T0375)T156.CB as missing WARNING: atoms too close: (T0375)A153.CB and (T0375)T156.CB only 0.000 apart, marking (T0375)T156.CB as missing WARNING: atoms too close: (T0375)D152.CB and (T0375)T156.CB only 0.000 apart, marking (T0375)T156.CB as missing WARNING: atoms too close: (T0375)I151.CB and (T0375)T156.CB only 0.000 apart, marking (T0375)T156.CB as missing WARNING: atoms too close: (T0375)T96.CB and (T0375)T156.CB only 0.000 apart, marking (T0375)T156.CB as missing WARNING: atoms too close: (T0375)A95.CB and (T0375)T156.CB only 0.000 apart, marking (T0375)T156.CB as missing WARNING: atoms too close: (T0375)I94.CB and (T0375)T156.CB only 0.000 apart, marking (T0375)T156.CB as missing WARNING: atoms too close: (T0375)P93.CB and (T0375)T156.CB only 0.000 apart, marking (T0375)T156.CB as missing WARNING: atoms too close: (T0375)N155.CG and (T0375)T156.CG2 only 0.000 apart, marking (T0375)T156.CG2 as missing WARNING: atoms too close: (T0375)H154.CG and (T0375)T156.CG2 only 0.000 apart, marking (T0375)T156.CG2 as missing WARNING: atoms too close: (T0375)D152.CG and (T0375)T156.CG2 only 0.000 apart, marking (T0375)T156.CG2 as missing WARNING: atoms too close: (T0375)I151.CG1 and (T0375)T156.CG2 only 0.000 apart, marking (T0375)T156.CG2 as missing WARNING: atoms too close: (T0375)T96.CG2 and (T0375)T156.CG2 only 0.000 apart, marking (T0375)T156.CG2 as missing WARNING: atoms too close: (T0375)I94.CG1 and (T0375)T156.CG2 only 0.000 apart, marking (T0375)T156.CG2 as missing WARNING: atoms too close: (T0375)N155.O and (T0375)T156.O only 0.000 apart, marking (T0375)T156.O as missing WARNING: atoms too close: (T0375)H154.O and (T0375)T156.O only 0.000 apart, marking (T0375)T156.O as missing WARNING: atoms too close: (T0375)A153.O and (T0375)T156.O only 0.000 apart, marking (T0375)T156.O as missing WARNING: atoms too close: (T0375)D152.O and (T0375)T156.O only 0.000 apart, marking (T0375)T156.O as missing WARNING: atoms too close: (T0375)I151.O and (T0375)T156.O only 0.000 apart, marking (T0375)T156.O as missing WARNING: atoms too close: (T0375)T96.O and (T0375)T156.O only 0.000 apart, marking (T0375)T156.O as missing WARNING: atoms too close: (T0375)A95.O and (T0375)T156.O only 0.000 apart, marking (T0375)T156.O as missing WARNING: atoms too close: (T0375)I94.O and (T0375)T156.O only 0.000 apart, marking (T0375)T156.O as missing WARNING: atoms too close: (T0375)P93.O and (T0375)T156.O only 0.000 apart, marking (T0375)T156.O as missing WARNING: atoms too close: (T0375)N155.C and (T0375)T156.C only 0.000 apart, marking (T0375)T156.C as missing WARNING: atoms too close: (T0375)H154.C and (T0375)T156.C only 0.000 apart, marking (T0375)T156.C as missing WARNING: atoms too close: (T0375)A153.C and (T0375)T156.C only 0.000 apart, marking (T0375)T156.C as missing WARNING: atoms too close: (T0375)D152.C and (T0375)T156.C only 0.000 apart, marking (T0375)T156.C as missing WARNING: atoms too close: (T0375)I151.C and (T0375)T156.C only 0.000 apart, marking (T0375)T156.C as missing WARNING: atoms too close: (T0375)T96.C and (T0375)T156.C only 0.000 apart, marking (T0375)T156.C as missing WARNING: atoms too close: (T0375)A95.C and (T0375)T156.C only 0.000 apart, marking (T0375)T156.C as missing WARNING: atoms too close: (T0375)I94.C and (T0375)T156.C only 0.000 apart, marking (T0375)T156.C as missing WARNING: atoms too close: (T0375)P93.C and (T0375)T156.C only 0.000 apart, marking (T0375)T156.C as missing WARNING: atoms too close: (T0375)T156.N and (T0375)R157.N only 0.000 apart, marking (T0375)T156.N as missing WARNING: atoms too close: (T0375)N155.N and (T0375)R157.N only 0.000 apart, marking (T0375)N155.N as missing WARNING: atoms too close: (T0375)H154.N and (T0375)R157.N only 0.000 apart, marking (T0375)H154.N as missing WARNING: atoms too close: (T0375)A153.N and (T0375)R157.N only 0.000 apart, marking (T0375)A153.N as missing WARNING: atoms too close: (T0375)D152.N and (T0375)R157.N only 0.000 apart, marking (T0375)D152.N as missing WARNING: atoms too close: (T0375)I151.N and (T0375)R157.N only 0.000 apart, marking (T0375)I151.N as missing WARNING: atoms too close: (T0375)T96.N and (T0375)R157.N only 0.000 apart, marking (T0375)T96.N as missing WARNING: atoms too close: (T0375)A95.N and (T0375)R157.N only 0.000 apart, marking (T0375)A95.N as missing WARNING: atoms too close: (T0375)I94.N and (T0375)R157.N only 0.000 apart, marking (T0375)I94.N as missing WARNING: atoms too close: (T0375)P93.N and (T0375)R157.N only 0.000 apart, marking (T0375)R157.N as missing WARNING: atoms too close: (T0375)T156.CA and (T0375)R157.CA only 0.000 apart, marking (T0375)R157.CA as missing WARNING: atoms too close: (T0375)N155.CA and (T0375)R157.CA only 0.000 apart, marking (T0375)R157.CA as missing WARNING: atoms too close: (T0375)H154.CA and (T0375)R157.CA only 0.000 apart, marking (T0375)R157.CA as missing WARNING: atoms too close: (T0375)A153.CA and (T0375)R157.CA only 0.000 apart, marking (T0375)R157.CA as missing WARNING: atoms too close: (T0375)D152.CA and (T0375)R157.CA only 0.000 apart, marking (T0375)R157.CA as missing WARNING: atoms too close: (T0375)I151.CA and (T0375)R157.CA only 0.000 apart, marking (T0375)R157.CA as missing WARNING: atoms too close: (T0375)T96.CA and (T0375)R157.CA only 0.000 apart, marking (T0375)R157.CA as missing WARNING: atoms too close: (T0375)A95.CA and (T0375)R157.CA only 0.000 apart, marking (T0375)R157.CA as missing WARNING: atoms too close: (T0375)I94.CA and (T0375)R157.CA only 0.000 apart, marking (T0375)R157.CA as missing WARNING: atoms too close: (T0375)P93.CA and (T0375)R157.CA only 0.000 apart, marking (T0375)R157.CA as missing WARNING: atoms too close: (T0375)T156.CB and (T0375)R157.CB only 0.000 apart, marking (T0375)R157.CB as missing WARNING: atoms too close: (T0375)N155.CB and (T0375)R157.CB only 0.000 apart, marking (T0375)R157.CB as missing WARNING: atoms too close: (T0375)H154.CB and (T0375)R157.CB only 0.000 apart, marking (T0375)R157.CB as missing WARNING: atoms too close: (T0375)A153.CB and (T0375)R157.CB only 0.000 apart, marking (T0375)R157.CB as missing WARNING: atoms too close: (T0375)D152.CB and (T0375)R157.CB only 0.000 apart, marking (T0375)R157.CB as missing WARNING: atoms too close: (T0375)I151.CB and (T0375)R157.CB only 0.000 apart, marking (T0375)R157.CB as missing WARNING: atoms too close: (T0375)T96.CB and (T0375)R157.CB only 0.000 apart, marking (T0375)R157.CB as missing WARNING: atoms too close: (T0375)A95.CB and (T0375)R157.CB only 0.000 apart, marking (T0375)R157.CB as missing WARNING: atoms too close: (T0375)I94.CB and (T0375)R157.CB only 0.000 apart, marking (T0375)R157.CB as missing WARNING: atoms too close: (T0375)P93.CB and (T0375)R157.CB only 0.000 apart, marking (T0375)R157.CB as missing WARNING: atoms too close: (T0375)T156.CG2 and (T0375)R157.CG only 0.000 apart, marking (T0375)R157.CG as missing WARNING: atoms too close: (T0375)N155.CG and (T0375)R157.CG only 0.000 apart, marking (T0375)R157.CG as missing WARNING: atoms too close: (T0375)H154.CG and (T0375)R157.CG only 0.000 apart, marking (T0375)R157.CG as missing WARNING: atoms too close: (T0375)D152.CG and (T0375)R157.CG only 0.000 apart, marking (T0375)R157.CG as missing WARNING: atoms too close: (T0375)I151.CG1 and (T0375)R157.CG only 0.000 apart, marking (T0375)R157.CG as missing WARNING: atoms too close: (T0375)T96.CG2 and (T0375)R157.CG only 0.000 apart, marking (T0375)R157.CG as missing WARNING: atoms too close: (T0375)I94.CG1 and (T0375)R157.CG only 0.000 apart, marking (T0375)R157.CG as missing WARNING: atoms too close: (T0375)T156.O and (T0375)R157.O only 0.000 apart, marking (T0375)R157.O as missing WARNING: atoms too close: (T0375)N155.O and (T0375)R157.O only 0.000 apart, marking (T0375)R157.O as missing WARNING: atoms too close: (T0375)H154.O and (T0375)R157.O only 0.000 apart, marking (T0375)R157.O as missing WARNING: atoms too close: (T0375)A153.O and (T0375)R157.O only 0.000 apart, marking (T0375)R157.O as missing WARNING: atoms too close: (T0375)D152.O and (T0375)R157.O only 0.000 apart, marking (T0375)R157.O as missing WARNING: atoms too close: (T0375)I151.O and (T0375)R157.O only 0.000 apart, marking (T0375)R157.O as missing WARNING: atoms too close: (T0375)T96.O and (T0375)R157.O only 0.000 apart, marking (T0375)R157.O as missing WARNING: atoms too close: (T0375)A95.O and (T0375)R157.O only 0.000 apart, marking (T0375)R157.O as missing WARNING: atoms too close: (T0375)I94.O and (T0375)R157.O only 0.000 apart, marking (T0375)R157.O as missing WARNING: atoms too close: (T0375)P93.O and (T0375)R157.O only 0.000 apart, marking (T0375)R157.O as missing WARNING: atoms too close: (T0375)T156.C and (T0375)R157.C only 0.000 apart, marking (T0375)R157.C as missing WARNING: atoms too close: (T0375)N155.C and (T0375)R157.C only 0.000 apart, marking (T0375)R157.C as missing WARNING: atoms too close: (T0375)H154.C and (T0375)R157.C only 0.000 apart, marking (T0375)R157.C as missing WARNING: atoms too close: (T0375)A153.C and (T0375)R157.C only 0.000 apart, marking (T0375)R157.C as missing WARNING: atoms too close: (T0375)D152.C and (T0375)R157.C only 0.000 apart, marking (T0375)R157.C as missing WARNING: atoms too close: (T0375)I151.C and (T0375)R157.C only 0.000 apart, marking (T0375)R157.C as missing WARNING: atoms too close: (T0375)T96.C and (T0375)R157.C only 0.000 apart, marking (T0375)R157.C as missing WARNING: atoms too close: (T0375)A95.C and (T0375)R157.C only 0.000 apart, marking (T0375)R157.C as missing WARNING: atoms too close: (T0375)I94.C and (T0375)R157.C only 0.000 apart, marking (T0375)R157.C as missing WARNING: atoms too close: (T0375)P93.C and (T0375)R157.C only 0.000 apart, marking (T0375)R157.C as missing WARNING: atoms too close: (T0375)R157.N and (T0375)Q158.N only 0.000 apart, marking (T0375)R157.N as missing WARNING: atoms too close: (T0375)T156.N and (T0375)Q158.N only 0.000 apart, marking (T0375)T156.N as missing WARNING: atoms too close: (T0375)N155.N and (T0375)Q158.N only 0.000 apart, marking (T0375)N155.N as missing WARNING: atoms too close: (T0375)H154.N and (T0375)Q158.N only 0.000 apart, marking (T0375)H154.N as missing WARNING: atoms too close: (T0375)A153.N and (T0375)Q158.N only 0.000 apart, marking (T0375)A153.N as missing WARNING: atoms too close: (T0375)D152.N and (T0375)Q158.N only 0.000 apart, marking (T0375)D152.N as missing WARNING: atoms too close: (T0375)I151.N and (T0375)Q158.N only 0.000 apart, marking (T0375)I151.N as missing WARNING: atoms too close: (T0375)T96.N and (T0375)Q158.N only 0.000 apart, marking (T0375)T96.N as missing WARNING: atoms too close: (T0375)A95.N and (T0375)Q158.N only 0.000 apart, marking (T0375)A95.N as missing WARNING: atoms too close: (T0375)I94.N and (T0375)Q158.N only 0.000 apart, marking (T0375)I94.N as missing WARNING: atoms too close: (T0375)P93.N and (T0375)Q158.N only 0.000 apart, marking (T0375)Q158.N as missing WARNING: atoms too close: (T0375)R157.CA and (T0375)Q158.CA only 0.000 apart, marking (T0375)Q158.CA as missing WARNING: atoms too close: (T0375)T156.CA and (T0375)Q158.CA only 0.000 apart, marking (T0375)Q158.CA as missing WARNING: atoms too close: (T0375)N155.CA and (T0375)Q158.CA only 0.000 apart, marking (T0375)Q158.CA as missing WARNING: atoms too close: (T0375)H154.CA and (T0375)Q158.CA only 0.000 apart, marking (T0375)Q158.CA as missing WARNING: atoms too close: (T0375)A153.CA and (T0375)Q158.CA only 0.000 apart, marking (T0375)Q158.CA as missing WARNING: atoms too close: (T0375)D152.CA and (T0375)Q158.CA only 0.000 apart, marking (T0375)Q158.CA as missing WARNING: atoms too close: (T0375)I151.CA and (T0375)Q158.CA only 0.000 apart, marking (T0375)Q158.CA as missing WARNING: atoms too close: (T0375)T96.CA and (T0375)Q158.CA only 0.000 apart, marking (T0375)Q158.CA as missing WARNING: atoms too close: (T0375)A95.CA and (T0375)Q158.CA only 0.000 apart, marking (T0375)Q158.CA as missing WARNING: atoms too close: (T0375)I94.CA and (T0375)Q158.CA only 0.000 apart, marking (T0375)Q158.CA as missing WARNING: atoms too close: (T0375)P93.CA and (T0375)Q158.CA only 0.000 apart, marking (T0375)Q158.CA as missing WARNING: atoms too close: (T0375)R157.CB and (T0375)Q158.CB only 0.000 apart, marking (T0375)Q158.CB as missing WARNING: atoms too close: (T0375)T156.CB and (T0375)Q158.CB only 0.000 apart, marking (T0375)Q158.CB as missing WARNING: atoms too close: (T0375)N155.CB and (T0375)Q158.CB only 0.000 apart, marking (T0375)Q158.CB as missing WARNING: atoms too close: (T0375)H154.CB and (T0375)Q158.CB only 0.000 apart, marking (T0375)Q158.CB as missing WARNING: atoms too close: (T0375)A153.CB and (T0375)Q158.CB only 0.000 apart, marking (T0375)Q158.CB as missing WARNING: atoms too close: (T0375)D152.CB and (T0375)Q158.CB only 0.000 apart, marking (T0375)Q158.CB as missing WARNING: atoms too close: (T0375)I151.CB and (T0375)Q158.CB only 0.000 apart, marking (T0375)Q158.CB as missing WARNING: atoms too close: (T0375)T96.CB and (T0375)Q158.CB only 0.000 apart, marking (T0375)Q158.CB as missing WARNING: atoms too close: (T0375)A95.CB and (T0375)Q158.CB only 0.000 apart, marking (T0375)Q158.CB as missing WARNING: atoms too close: (T0375)I94.CB and (T0375)Q158.CB only 0.000 apart, marking (T0375)Q158.CB as missing WARNING: atoms too close: (T0375)P93.CB and (T0375)Q158.CB only 0.000 apart, marking (T0375)Q158.CB as missing WARNING: atoms too close: (T0375)R157.CG and (T0375)Q158.CG only 0.000 apart, marking (T0375)Q158.CG as missing WARNING: atoms too close: (T0375)T156.CG2 and (T0375)Q158.CG only 0.000 apart, marking (T0375)Q158.CG as missing WARNING: atoms too close: (T0375)N155.CG and (T0375)Q158.CG only 0.000 apart, marking (T0375)Q158.CG as missing WARNING: atoms too close: (T0375)H154.CG and (T0375)Q158.CG only 0.000 apart, marking (T0375)Q158.CG as missing WARNING: atoms too close: (T0375)D152.CG and (T0375)Q158.CG only 0.000 apart, marking (T0375)Q158.CG as missing WARNING: atoms too close: (T0375)I151.CG1 and (T0375)Q158.CG only 0.000 apart, marking (T0375)Q158.CG as missing WARNING: atoms too close: (T0375)T96.CG2 and (T0375)Q158.CG only 0.000 apart, marking (T0375)Q158.CG as missing WARNING: atoms too close: (T0375)I94.CG1 and (T0375)Q158.CG only 0.000 apart, marking (T0375)Q158.CG as missing WARNING: atoms too close: (T0375)R157.O and (T0375)Q158.O only 0.000 apart, marking (T0375)Q158.O as missing WARNING: atoms too close: (T0375)T156.O and (T0375)Q158.O only 0.000 apart, marking (T0375)Q158.O as missing WARNING: atoms too close: (T0375)N155.O and (T0375)Q158.O only 0.000 apart, marking (T0375)Q158.O as missing WARNING: atoms too close: (T0375)H154.O and (T0375)Q158.O only 0.000 apart, marking (T0375)Q158.O as missing WARNING: atoms too close: (T0375)A153.O and (T0375)Q158.O only 0.000 apart, marking (T0375)Q158.O as missing WARNING: atoms too close: (T0375)D152.O and (T0375)Q158.O only 0.000 apart, marking (T0375)Q158.O as missing WARNING: atoms too close: (T0375)I151.O and (T0375)Q158.O only 0.000 apart, marking (T0375)Q158.O as missing WARNING: atoms too close: (T0375)T96.O and (T0375)Q158.O only 0.000 apart, marking (T0375)Q158.O as missing WARNING: atoms too close: (T0375)A95.O and (T0375)Q158.O only 0.000 apart, marking (T0375)Q158.O as missing WARNING: atoms too close: (T0375)I94.O and (T0375)Q158.O only 0.000 apart, marking (T0375)Q158.O as missing WARNING: atoms too close: (T0375)P93.O and (T0375)Q158.O only 0.000 apart, marking (T0375)Q158.O as missing WARNING: atoms too close: (T0375)R157.C and (T0375)Q158.C only 0.000 apart, marking (T0375)Q158.C as missing WARNING: atoms too close: (T0375)T156.C and (T0375)Q158.C only 0.000 apart, marking (T0375)Q158.C as missing WARNING: atoms too close: (T0375)N155.C and (T0375)Q158.C only 0.000 apart, marking (T0375)Q158.C as missing WARNING: atoms too close: (T0375)H154.C and (T0375)Q158.C only 0.000 apart, marking (T0375)Q158.C as missing WARNING: atoms too close: (T0375)A153.C and (T0375)Q158.C only 0.000 apart, marking (T0375)Q158.C as missing WARNING: atoms too close: (T0375)D152.C and (T0375)Q158.C only 0.000 apart, marking (T0375)Q158.C as missing WARNING: atoms too close: (T0375)I151.C and (T0375)Q158.C only 0.000 apart, marking (T0375)Q158.C as missing WARNING: atoms too close: (T0375)T96.C and (T0375)Q158.C only 0.000 apart, marking (T0375)Q158.C as missing WARNING: atoms too close: (T0375)A95.C and (T0375)Q158.C only 0.000 apart, marking (T0375)Q158.C as missing WARNING: atoms too close: (T0375)I94.C and (T0375)Q158.C only 0.000 apart, marking (T0375)Q158.C as missing WARNING: atoms too close: (T0375)P93.C and (T0375)Q158.C only 0.000 apart, marking (T0375)Q158.C as missing WARNING: atoms too close: (T0375)Q158.N and (T0375)P159.N only 0.000 apart, marking (T0375)Q158.N as missing WARNING: atoms too close: (T0375)R157.N and (T0375)P159.N only 0.000 apart, marking (T0375)R157.N as missing WARNING: atoms too close: (T0375)T156.N and (T0375)P159.N only 0.000 apart, marking (T0375)T156.N as missing WARNING: atoms too close: (T0375)N155.N and (T0375)P159.N only 0.000 apart, marking (T0375)N155.N as missing WARNING: atoms too close: (T0375)H154.N and (T0375)P159.N only 0.000 apart, marking (T0375)H154.N as missing WARNING: atoms too close: (T0375)A153.N and (T0375)P159.N only 0.000 apart, marking (T0375)A153.N as missing WARNING: atoms too close: (T0375)D152.N and (T0375)P159.N only 0.000 apart, marking (T0375)D152.N as missing WARNING: atoms too close: (T0375)I151.N and (T0375)P159.N only 0.000 apart, marking (T0375)I151.N as missing WARNING: atoms too close: (T0375)T96.N and (T0375)P159.N only 0.000 apart, marking (T0375)T96.N as missing WARNING: atoms too close: (T0375)A95.N and (T0375)P159.N only 0.000 apart, marking (T0375)A95.N as missing WARNING: atoms too close: (T0375)I94.N and (T0375)P159.N only 0.000 apart, marking (T0375)I94.N as missing WARNING: atoms too close: (T0375)P93.N and (T0375)P159.N only 0.000 apart, marking (T0375)P159.N as missing WARNING: atoms too close: (T0375)Q158.CA and (T0375)P159.CA only 0.000 apart, marking (T0375)P159.CA as missing WARNING: atoms too close: (T0375)R157.CA and (T0375)P159.CA only 0.000 apart, marking (T0375)P159.CA as missing WARNING: atoms too close: (T0375)T156.CA and (T0375)P159.CA only 0.000 apart, marking (T0375)P159.CA as missing WARNING: atoms too close: (T0375)N155.CA and (T0375)P159.CA only 0.000 apart, marking (T0375)P159.CA as missing WARNING: atoms too close: (T0375)H154.CA and (T0375)P159.CA only 0.000 apart, marking (T0375)P159.CA as missing WARNING: atoms too close: (T0375)A153.CA and (T0375)P159.CA only 0.000 apart, marking (T0375)P159.CA as missing WARNING: atoms too close: (T0375)D152.CA and (T0375)P159.CA only 0.000 apart, marking (T0375)P159.CA as missing WARNING: atoms too close: (T0375)I151.CA and (T0375)P159.CA only 0.000 apart, marking (T0375)P159.CA as missing WARNING: atoms too close: (T0375)T96.CA and (T0375)P159.CA only 0.000 apart, marking (T0375)P159.CA as missing WARNING: atoms too close: (T0375)A95.CA and (T0375)P159.CA only 0.000 apart, marking (T0375)P159.CA as missing WARNING: atoms too close: (T0375)I94.CA and (T0375)P159.CA only 0.000 apart, marking (T0375)P159.CA as missing WARNING: atoms too close: (T0375)P93.CA and (T0375)P159.CA only 0.000 apart, marking (T0375)P159.CA as missing WARNING: atoms too close: (T0375)Q158.CB and (T0375)P159.CB only 0.000 apart, marking (T0375)P159.CB as missing WARNING: atoms too close: (T0375)R157.CB and (T0375)P159.CB only 0.000 apart, marking (T0375)P159.CB as missing WARNING: atoms too close: (T0375)T156.CB and (T0375)P159.CB only 0.000 apart, marking (T0375)P159.CB as missing WARNING: atoms too close: (T0375)N155.CB and (T0375)P159.CB only 0.000 apart, marking (T0375)P159.CB as missing WARNING: atoms too close: (T0375)H154.CB and (T0375)P159.CB only 0.000 apart, marking (T0375)P159.CB as missing WARNING: atoms too close: (T0375)A153.CB and (T0375)P159.CB only 0.000 apart, marking (T0375)P159.CB as missing WARNING: atoms too close: (T0375)D152.CB and (T0375)P159.CB only 0.000 apart, marking (T0375)P159.CB as missing WARNING: atoms too close: (T0375)I151.CB and (T0375)P159.CB only 0.000 apart, marking (T0375)P159.CB as missing WARNING: atoms too close: (T0375)T96.CB and (T0375)P159.CB only 0.000 apart, marking (T0375)P159.CB as missing WARNING: atoms too close: (T0375)A95.CB and (T0375)P159.CB only 0.000 apart, marking (T0375)P159.CB as missing WARNING: atoms too close: (T0375)I94.CB and (T0375)P159.CB only 0.000 apart, marking (T0375)P159.CB as missing WARNING: atoms too close: (T0375)P93.CB and (T0375)P159.CB only 0.000 apart, marking (T0375)P159.CB as missing WARNING: atoms too close: (T0375)Q158.O and (T0375)P159.O only 0.000 apart, marking (T0375)P159.O as missing WARNING: atoms too close: (T0375)R157.O and (T0375)P159.O only 0.000 apart, marking (T0375)P159.O as missing WARNING: atoms too close: (T0375)T156.O and (T0375)P159.O only 0.000 apart, marking (T0375)P159.O as missing WARNING: atoms too close: (T0375)N155.O and (T0375)P159.O only 0.000 apart, marking (T0375)P159.O as missing WARNING: atoms too close: (T0375)H154.O and (T0375)P159.O only 0.000 apart, marking (T0375)P159.O as missing WARNING: atoms too close: (T0375)A153.O and (T0375)P159.O only 0.000 apart, marking (T0375)P159.O as missing WARNING: atoms too close: (T0375)D152.O and (T0375)P159.O only 0.000 apart, marking (T0375)P159.O as missing WARNING: atoms too close: (T0375)I151.O and (T0375)P159.O only 0.000 apart, marking (T0375)P159.O as missing WARNING: atoms too close: (T0375)T96.O and (T0375)P159.O only 0.000 apart, marking (T0375)P159.O as missing WARNING: atoms too close: (T0375)A95.O and (T0375)P159.O only 0.000 apart, marking (T0375)P159.O as missing WARNING: atoms too close: (T0375)I94.O and (T0375)P159.O only 0.000 apart, marking (T0375)P159.O as missing WARNING: atoms too close: (T0375)P93.O and (T0375)P159.O only 0.000 apart, marking (T0375)P159.O as missing WARNING: atoms too close: (T0375)Q158.C and (T0375)P159.C only 0.000 apart, marking (T0375)P159.C as missing WARNING: atoms too close: (T0375)R157.C and (T0375)P159.C only 0.000 apart, marking (T0375)P159.C as missing WARNING: atoms too close: (T0375)T156.C and (T0375)P159.C only 0.000 apart, marking (T0375)P159.C as missing WARNING: atoms too close: (T0375)N155.C and (T0375)P159.C only 0.000 apart, marking (T0375)P159.C as missing WARNING: atoms too close: (T0375)H154.C and (T0375)P159.C only 0.000 apart, marking (T0375)P159.C as missing WARNING: atoms too close: (T0375)A153.C and (T0375)P159.C only 0.000 apart, marking (T0375)P159.C as missing WARNING: atoms too close: (T0375)D152.C and (T0375)P159.C only 0.000 apart, marking (T0375)P159.C as missing WARNING: atoms too close: (T0375)I151.C and (T0375)P159.C only 0.000 apart, marking (T0375)P159.C as missing WARNING: atoms too close: (T0375)T96.C and (T0375)P159.C only 0.000 apart, marking (T0375)P159.C as missing WARNING: atoms too close: (T0375)A95.C and (T0375)P159.C only 0.000 apart, marking (T0375)P159.C as missing WARNING: atoms too close: (T0375)I94.C and (T0375)P159.C only 0.000 apart, marking (T0375)P159.C as missing WARNING: atoms too close: (T0375)P93.C and (T0375)P159.C only 0.000 apart, marking (T0375)P159.C as missing WARNING: atoms too close: (T0375)P159.N and (T0375)P160.N only 0.000 apart, marking (T0375)P159.N as missing WARNING: atoms too close: (T0375)Q158.N and (T0375)P160.N only 0.000 apart, marking (T0375)Q158.N as missing WARNING: atoms too close: (T0375)R157.N and (T0375)P160.N only 0.000 apart, marking (T0375)R157.N as missing WARNING: atoms too close: (T0375)T156.N and (T0375)P160.N only 0.000 apart, marking (T0375)T156.N as missing WARNING: atoms too close: (T0375)N155.N and (T0375)P160.N only 0.000 apart, marking (T0375)N155.N as missing WARNING: atoms too close: (T0375)H154.N and (T0375)P160.N only 0.000 apart, marking (T0375)H154.N as missing WARNING: atoms too close: (T0375)A153.N and (T0375)P160.N only 0.000 apart, marking (T0375)A153.N as missing WARNING: atoms too close: (T0375)D152.N and (T0375)P160.N only 0.000 apart, marking (T0375)D152.N as missing WARNING: atoms too close: (T0375)I151.N and (T0375)P160.N only 0.000 apart, marking (T0375)I151.N as missing WARNING: atoms too close: (T0375)T96.N and (T0375)P160.N only 0.000 apart, marking (T0375)T96.N as missing WARNING: atoms too close: (T0375)A95.N and (T0375)P160.N only 0.000 apart, marking (T0375)A95.N as missing WARNING: atoms too close: (T0375)I94.N and (T0375)P160.N only 0.000 apart, marking (T0375)I94.N as missing WARNING: atoms too close: (T0375)P93.N and (T0375)P160.N only 0.000 apart, marking (T0375)P160.N as missing WARNING: atoms too close: (T0375)P159.CA and (T0375)P160.CA only 0.000 apart, marking (T0375)P160.CA as missing WARNING: atoms too close: (T0375)Q158.CA and (T0375)P160.CA only 0.000 apart, marking (T0375)P160.CA as missing WARNING: atoms too close: (T0375)R157.CA and (T0375)P160.CA only 0.000 apart, marking (T0375)P160.CA as missing WARNING: atoms too close: (T0375)T156.CA and (T0375)P160.CA only 0.000 apart, marking (T0375)P160.CA as missing WARNING: atoms too close: (T0375)N155.CA and (T0375)P160.CA only 0.000 apart, marking (T0375)P160.CA as missing WARNING: atoms too close: (T0375)H154.CA and (T0375)P160.CA only 0.000 apart, marking (T0375)P160.CA as missing WARNING: atoms too close: (T0375)A153.CA and (T0375)P160.CA only 0.000 apart, marking (T0375)P160.CA as missing WARNING: atoms too close: (T0375)D152.CA and (T0375)P160.CA only 0.000 apart, marking (T0375)P160.CA as missing WARNING: atoms too close: (T0375)I151.CA and (T0375)P160.CA only 0.000 apart, marking (T0375)P160.CA as missing WARNING: atoms too close: (T0375)T96.CA and (T0375)P160.CA only 0.000 apart, marking (T0375)P160.CA as missing WARNING: atoms too close: (T0375)A95.CA and (T0375)P160.CA only 0.000 apart, marking (T0375)P160.CA as missing WARNING: atoms too close: (T0375)I94.CA and (T0375)P160.CA only 0.000 apart, marking (T0375)P160.CA as missing WARNING: atoms too close: (T0375)P93.CA and (T0375)P160.CA only 0.000 apart, marking (T0375)P160.CA as missing WARNING: atoms too close: (T0375)P159.CB and (T0375)P160.CB only 0.000 apart, marking (T0375)P160.CB as missing WARNING: atoms too close: (T0375)Q158.CB and (T0375)P160.CB only 0.000 apart, marking (T0375)P160.CB as missing WARNING: atoms too close: (T0375)R157.CB and (T0375)P160.CB only 0.000 apart, marking (T0375)P160.CB as missing WARNING: atoms too close: (T0375)T156.CB and (T0375)P160.CB only 0.000 apart, marking (T0375)P160.CB as missing WARNING: atoms too close: (T0375)N155.CB and (T0375)P160.CB only 0.000 apart, marking (T0375)P160.CB as missing WARNING: atoms too close: (T0375)H154.CB and (T0375)P160.CB only 0.000 apart, marking (T0375)P160.CB as missing WARNING: atoms too close: (T0375)A153.CB and (T0375)P160.CB only 0.000 apart, marking (T0375)P160.CB as missing WARNING: atoms too close: (T0375)D152.CB and (T0375)P160.CB only 0.000 apart, marking (T0375)P160.CB as missing WARNING: atoms too close: (T0375)I151.CB and (T0375)P160.CB only 0.000 apart, marking (T0375)P160.CB as missing WARNING: atoms too close: (T0375)T96.CB and (T0375)P160.CB only 0.000 apart, marking (T0375)P160.CB as missing WARNING: atoms too close: (T0375)A95.CB and (T0375)P160.CB only 0.000 apart, marking (T0375)P160.CB as missing WARNING: atoms too close: (T0375)I94.CB and (T0375)P160.CB only 0.000 apart, marking (T0375)P160.CB as missing WARNING: atoms too close: (T0375)P93.CB and (T0375)P160.CB only 0.000 apart, marking (T0375)P160.CB as missing WARNING: atoms too close: (T0375)P159.O and (T0375)P160.O only 0.000 apart, marking (T0375)P160.O as missing WARNING: atoms too close: (T0375)Q158.O and (T0375)P160.O only 0.000 apart, marking (T0375)P160.O as missing WARNING: atoms too close: (T0375)R157.O and (T0375)P160.O only 0.000 apart, marking (T0375)P160.O as missing WARNING: atoms too close: (T0375)T156.O and (T0375)P160.O only 0.000 apart, marking (T0375)P160.O as missing WARNING: atoms too close: (T0375)N155.O and (T0375)P160.O only 0.000 apart, marking (T0375)P160.O as missing WARNING: atoms too close: (T0375)H154.O and (T0375)P160.O only 0.000 apart, marking (T0375)P160.O as missing WARNING: atoms too close: (T0375)A153.O and (T0375)P160.O only 0.000 apart, marking (T0375)P160.O as missing WARNING: atoms too close: (T0375)D152.O and (T0375)P160.O only 0.000 apart, marking (T0375)P160.O as missing WARNING: atoms too close: (T0375)I151.O and (T0375)P160.O only 0.000 apart, marking (T0375)P160.O as missing WARNING: atoms too close: (T0375)T96.O and (T0375)P160.O only 0.000 apart, marking (T0375)P160.O as missing WARNING: atoms too close: (T0375)A95.O and (T0375)P160.O only 0.000 apart, marking (T0375)P160.O as missing WARNING: atoms too close: (T0375)I94.O and (T0375)P160.O only 0.000 apart, marking (T0375)P160.O as missing WARNING: atoms too close: (T0375)P93.O and (T0375)P160.O only 0.000 apart, marking (T0375)P160.O as missing WARNING: atoms too close: (T0375)P159.C and (T0375)P160.C only 0.000 apart, marking (T0375)P160.C as missing WARNING: atoms too close: (T0375)Q158.C and (T0375)P160.C only 0.000 apart, marking (T0375)P160.C as missing WARNING: atoms too close: (T0375)R157.C and (T0375)P160.C only 0.000 apart, marking (T0375)P160.C as missing WARNING: atoms too close: (T0375)T156.C and (T0375)P160.C only 0.000 apart, marking (T0375)P160.C as missing WARNING: atoms too close: (T0375)N155.C and (T0375)P160.C only 0.000 apart, marking (T0375)P160.C as missing WARNING: atoms too close: (T0375)H154.C and (T0375)P160.C only 0.000 apart, marking (T0375)P160.C as missing WARNING: atoms too close: (T0375)A153.C and (T0375)P160.C only 0.000 apart, marking (T0375)P160.C as missing WARNING: atoms too close: (T0375)D152.C and (T0375)P160.C only 0.000 apart, marking (T0375)P160.C as missing WARNING: atoms too close: (T0375)I151.C and (T0375)P160.C only 0.000 apart, marking (T0375)P160.C as missing WARNING: atoms too close: (T0375)T96.C and (T0375)P160.C only 0.000 apart, marking (T0375)P160.C as missing WARNING: atoms too close: (T0375)A95.C and (T0375)P160.C only 0.000 apart, marking (T0375)P160.C as missing WARNING: atoms too close: (T0375)I94.C and (T0375)P160.C only 0.000 apart, marking (T0375)P160.C as missing WARNING: atoms too close: (T0375)P93.C and (T0375)P160.C only 0.000 apart, marking (T0375)P160.C as missing WARNING: atoms too close: (T0375)P160.N and (T0375)A217.N only 0.000 apart, marking (T0375)P160.N as missing WARNING: atoms too close: (T0375)P159.N and (T0375)A217.N only 0.000 apart, marking (T0375)P159.N as missing WARNING: atoms too close: (T0375)Q158.N and (T0375)A217.N only 0.000 apart, marking (T0375)Q158.N as missing WARNING: atoms too close: (T0375)R157.N and (T0375)A217.N only 0.000 apart, marking (T0375)R157.N as missing WARNING: atoms too close: (T0375)T156.N and (T0375)A217.N only 0.000 apart, marking (T0375)T156.N as missing WARNING: atoms too close: (T0375)N155.N and (T0375)A217.N only 0.000 apart, marking (T0375)N155.N as missing WARNING: atoms too close: (T0375)H154.N and (T0375)A217.N only 0.000 apart, marking (T0375)H154.N as missing WARNING: atoms too close: (T0375)A153.N and (T0375)A217.N only 0.000 apart, marking (T0375)A153.N as missing WARNING: atoms too close: (T0375)D152.N and (T0375)A217.N only 0.000 apart, marking (T0375)D152.N as missing WARNING: atoms too close: (T0375)I151.N and (T0375)A217.N only 0.000 apart, marking (T0375)I151.N as missing WARNING: atoms too close: (T0375)T96.N and (T0375)A217.N only 0.000 apart, marking (T0375)T96.N as missing WARNING: atoms too close: (T0375)A95.N and (T0375)A217.N only 0.000 apart, marking (T0375)A95.N as missing WARNING: atoms too close: (T0375)I94.N and (T0375)A217.N only 0.000 apart, marking (T0375)I94.N as missing WARNING: atoms too close: (T0375)P93.N and (T0375)A217.N only 0.000 apart, marking (T0375)A217.N as missing WARNING: atoms too close: (T0375)P160.CA and (T0375)A217.CA only 0.000 apart, marking (T0375)A217.CA as missing WARNING: atoms too close: (T0375)P159.CA and (T0375)A217.CA only 0.000 apart, marking (T0375)A217.CA as missing WARNING: atoms too close: (T0375)Q158.CA and (T0375)A217.CA only 0.000 apart, marking (T0375)A217.CA as missing WARNING: atoms too close: (T0375)R157.CA and (T0375)A217.CA only 0.000 apart, marking (T0375)A217.CA as missing WARNING: atoms too close: (T0375)T156.CA and (T0375)A217.CA only 0.000 apart, marking (T0375)A217.CA as missing WARNING: atoms too close: (T0375)N155.CA and (T0375)A217.CA only 0.000 apart, marking (T0375)A217.CA as missing WARNING: atoms too close: (T0375)H154.CA and (T0375)A217.CA only 0.000 apart, marking (T0375)A217.CA as missing WARNING: atoms too close: (T0375)A153.CA and (T0375)A217.CA only 0.000 apart, marking (T0375)A217.CA as missing WARNING: atoms too close: (T0375)D152.CA and (T0375)A217.CA only 0.000 apart, marking (T0375)A217.CA as missing WARNING: atoms too close: (T0375)I151.CA and (T0375)A217.CA only 0.000 apart, marking (T0375)A217.CA as missing WARNING: atoms too close: (T0375)T96.CA and (T0375)A217.CA only 0.000 apart, marking (T0375)A217.CA as missing WARNING: atoms too close: (T0375)A95.CA and (T0375)A217.CA only 0.000 apart, marking (T0375)A217.CA as missing WARNING: atoms too close: (T0375)I94.CA and (T0375)A217.CA only 0.000 apart, marking (T0375)A217.CA as missing WARNING: atoms too close: (T0375)P93.CA and (T0375)A217.CA only 0.000 apart, marking (T0375)A217.CA as missing WARNING: atoms too close: (T0375)P160.CB and (T0375)A217.CB only 0.000 apart, marking (T0375)A217.CB as missing WARNING: atoms too close: (T0375)P159.CB and (T0375)A217.CB only 0.000 apart, marking (T0375)A217.CB as missing WARNING: atoms too close: (T0375)Q158.CB and (T0375)A217.CB only 0.000 apart, marking (T0375)A217.CB as missing WARNING: atoms too close: (T0375)R157.CB and (T0375)A217.CB only 0.000 apart, marking (T0375)A217.CB as missing WARNING: atoms too close: (T0375)T156.CB and (T0375)A217.CB only 0.000 apart, marking (T0375)A217.CB as missing WARNING: atoms too close: (T0375)N155.CB and (T0375)A217.CB only 0.000 apart, marking (T0375)A217.CB as missing WARNING: atoms too close: (T0375)H154.CB and (T0375)A217.CB only 0.000 apart, marking (T0375)A217.CB as missing WARNING: atoms too close: (T0375)A153.CB and (T0375)A217.CB only 0.000 apart, marking (T0375)A217.CB as missing WARNING: atoms too close: (T0375)D152.CB and (T0375)A217.CB only 0.000 apart, marking (T0375)A217.CB as missing WARNING: atoms too close: (T0375)I151.CB and (T0375)A217.CB only 0.000 apart, marking (T0375)A217.CB as missing WARNING: atoms too close: (T0375)T96.CB and (T0375)A217.CB only 0.000 apart, marking (T0375)A217.CB as missing WARNING: atoms too close: (T0375)A95.CB and (T0375)A217.CB only 0.000 apart, marking (T0375)A217.CB as missing WARNING: atoms too close: (T0375)I94.CB and (T0375)A217.CB only 0.000 apart, marking (T0375)A217.CB as missing WARNING: atoms too close: (T0375)P93.CB and (T0375)A217.CB only 0.000 apart, marking (T0375)A217.CB as missing WARNING: atoms too close: (T0375)P160.O and (T0375)A217.O only 0.000 apart, marking (T0375)A217.O as missing WARNING: atoms too close: (T0375)P159.O and (T0375)A217.O only 0.000 apart, marking (T0375)A217.O as missing WARNING: atoms too close: (T0375)Q158.O and (T0375)A217.O only 0.000 apart, marking (T0375)A217.O as missing WARNING: atoms too close: (T0375)R157.O and (T0375)A217.O only 0.000 apart, marking (T0375)A217.O as missing WARNING: atoms too close: (T0375)T156.O and (T0375)A217.O only 0.000 apart, marking (T0375)A217.O as missing WARNING: atoms too close: (T0375)N155.O and (T0375)A217.O only 0.000 apart, marking (T0375)A217.O as missing WARNING: atoms too close: (T0375)H154.O and (T0375)A217.O only 0.000 apart, marking (T0375)A217.O as missing WARNING: atoms too close: (T0375)A153.O and (T0375)A217.O only 0.000 apart, marking (T0375)A217.O as missing WARNING: atoms too close: (T0375)D152.O and (T0375)A217.O only 0.000 apart, marking (T0375)A217.O as missing WARNING: atoms too close: (T0375)I151.O and (T0375)A217.O only 0.000 apart, marking (T0375)A217.O as missing WARNING: atoms too close: (T0375)T96.O and (T0375)A217.O only 0.000 apart, marking (T0375)A217.O as missing WARNING: atoms too close: (T0375)A95.O and (T0375)A217.O only 0.000 apart, marking (T0375)A217.O as missing WARNING: atoms too close: (T0375)I94.O and (T0375)A217.O only 0.000 apart, marking (T0375)A217.O as missing WARNING: atoms too close: (T0375)P93.O and (T0375)A217.O only 0.000 apart, marking (T0375)A217.O as missing WARNING: atoms too close: (T0375)P160.C and (T0375)A217.C only 0.000 apart, marking (T0375)A217.C as missing WARNING: atoms too close: (T0375)P159.C and (T0375)A217.C only 0.000 apart, marking (T0375)A217.C as missing WARNING: atoms too close: (T0375)Q158.C and (T0375)A217.C only 0.000 apart, marking (T0375)A217.C as missing WARNING: atoms too close: (T0375)R157.C and (T0375)A217.C only 0.000 apart, marking (T0375)A217.C as missing WARNING: atoms too close: (T0375)T156.C and (T0375)A217.C only 0.000 apart, marking (T0375)A217.C as missing WARNING: atoms too close: (T0375)N155.C and (T0375)A217.C only 0.000 apart, marking (T0375)A217.C as missing WARNING: atoms too close: (T0375)H154.C and (T0375)A217.C only 0.000 apart, marking (T0375)A217.C as missing WARNING: atoms too close: (T0375)A153.C and (T0375)A217.C only 0.000 apart, marking (T0375)A217.C as missing WARNING: atoms too close: (T0375)D152.C and (T0375)A217.C only 0.000 apart, marking (T0375)A217.C as missing WARNING: atoms too close: (T0375)I151.C and (T0375)A217.C only 0.000 apart, marking (T0375)A217.C as missing WARNING: atoms too close: (T0375)T96.C and (T0375)A217.C only 0.000 apart, marking (T0375)A217.C as missing WARNING: atoms too close: (T0375)A95.C and (T0375)A217.C only 0.000 apart, marking (T0375)A217.C as missing WARNING: atoms too close: (T0375)I94.C and (T0375)A217.C only 0.000 apart, marking (T0375)A217.C as missing WARNING: atoms too close: (T0375)P93.C and (T0375)A217.C only 0.000 apart, marking (T0375)A217.C as missing WARNING: atoms too close: (T0375)A217.N and (T0375)V218.N only 0.000 apart, marking (T0375)A217.N as missing WARNING: atoms too close: (T0375)P160.N and (T0375)V218.N only 0.000 apart, marking (T0375)P160.N as missing WARNING: atoms too close: (T0375)P159.N and (T0375)V218.N only 0.000 apart, marking (T0375)P159.N as missing WARNING: atoms too close: (T0375)Q158.N and (T0375)V218.N only 0.000 apart, marking (T0375)Q158.N as missing WARNING: atoms too close: (T0375)R157.N and (T0375)V218.N only 0.000 apart, marking (T0375)R157.N as missing WARNING: atoms too close: (T0375)T156.N and (T0375)V218.N only 0.000 apart, marking (T0375)T156.N as missing WARNING: atoms too close: (T0375)N155.N and (T0375)V218.N only 0.000 apart, marking (T0375)N155.N as missing WARNING: atoms too close: (T0375)H154.N and (T0375)V218.N only 0.000 apart, marking (T0375)H154.N as missing WARNING: atoms too close: (T0375)A153.N and (T0375)V218.N only 0.000 apart, marking (T0375)A153.N as missing WARNING: atoms too close: (T0375)D152.N and (T0375)V218.N only 0.000 apart, marking (T0375)D152.N as missing WARNING: atoms too close: (T0375)I151.N and (T0375)V218.N only 0.000 apart, marking (T0375)I151.N as missing WARNING: atoms too close: (T0375)T96.N and (T0375)V218.N only 0.000 apart, marking (T0375)T96.N as missing WARNING: atoms too close: (T0375)A95.N and (T0375)V218.N only 0.000 apart, marking (T0375)A95.N as missing WARNING: atoms too close: (T0375)I94.N and (T0375)V218.N only 0.000 apart, marking (T0375)I94.N as missing WARNING: atoms too close: (T0375)P93.N and (T0375)V218.N only 0.000 apart, marking (T0375)V218.N as missing WARNING: atoms too close: (T0375)A217.CA and (T0375)V218.CA only 0.000 apart, marking (T0375)V218.CA as missing WARNING: atoms too close: (T0375)P160.CA and (T0375)V218.CA only 0.000 apart, marking (T0375)V218.CA as missing WARNING: atoms too close: (T0375)P159.CA and (T0375)V218.CA only 0.000 apart, marking (T0375)V218.CA as missing WARNING: atoms too close: (T0375)Q158.CA and (T0375)V218.CA only 0.000 apart, marking (T0375)V218.CA as missing WARNING: atoms too close: (T0375)R157.CA and (T0375)V218.CA only 0.000 apart, marking (T0375)V218.CA as missing WARNING: atoms too close: (T0375)T156.CA and (T0375)V218.CA only 0.000 apart, marking (T0375)V218.CA as missing WARNING: atoms too close: (T0375)N155.CA and (T0375)V218.CA only 0.000 apart, marking (T0375)V218.CA as missing WARNING: atoms too close: (T0375)H154.CA and (T0375)V218.CA only 0.000 apart, marking (T0375)V218.CA as missing WARNING: atoms too close: (T0375)A153.CA and (T0375)V218.CA only 0.000 apart, marking (T0375)V218.CA as missing WARNING: atoms too close: (T0375)D152.CA and (T0375)V218.CA only 0.000 apart, marking (T0375)V218.CA as missing WARNING: atoms too close: (T0375)I151.CA and (T0375)V218.CA only 0.000 apart, marking (T0375)V218.CA as missing WARNING: atoms too close: (T0375)T96.CA and (T0375)V218.CA only 0.000 apart, marking (T0375)V218.CA as missing WARNING: atoms too close: (T0375)A95.CA and (T0375)V218.CA only 0.000 apart, marking (T0375)V218.CA as missing WARNING: atoms too close: (T0375)I94.CA and (T0375)V218.CA only 0.000 apart, marking (T0375)V218.CA as missing WARNING: atoms too close: (T0375)P93.CA and (T0375)V218.CA only 0.000 apart, marking (T0375)V218.CA as missing WARNING: atoms too close: (T0375)A217.CB and (T0375)V218.CB only 0.000 apart, marking (T0375)V218.CB as missing WARNING: atoms too close: (T0375)P160.CB and (T0375)V218.CB only 0.000 apart, marking (T0375)V218.CB as missing WARNING: atoms too close: (T0375)P159.CB and (T0375)V218.CB only 0.000 apart, marking (T0375)V218.CB as missing WARNING: atoms too close: (T0375)Q158.CB and (T0375)V218.CB only 0.000 apart, marking (T0375)V218.CB as missing WARNING: atoms too close: (T0375)R157.CB and (T0375)V218.CB only 0.000 apart, marking (T0375)V218.CB as missing WARNING: atoms too close: (T0375)T156.CB and (T0375)V218.CB only 0.000 apart, marking (T0375)V218.CB as missing WARNING: atoms too close: (T0375)N155.CB and (T0375)V218.CB only 0.000 apart, marking (T0375)V218.CB as missing WARNING: atoms too close: (T0375)H154.CB and (T0375)V218.CB only 0.000 apart, marking (T0375)V218.CB as missing WARNING: atoms too close: (T0375)A153.CB and (T0375)V218.CB only 0.000 apart, marking (T0375)V218.CB as missing WARNING: atoms too close: (T0375)D152.CB and (T0375)V218.CB only 0.000 apart, marking (T0375)V218.CB as missing WARNING: atoms too close: (T0375)I151.CB and (T0375)V218.CB only 0.000 apart, marking (T0375)V218.CB as missing WARNING: atoms too close: (T0375)T96.CB and (T0375)V218.CB only 0.000 apart, marking (T0375)V218.CB as missing WARNING: atoms too close: (T0375)A95.CB and (T0375)V218.CB only 0.000 apart, marking (T0375)V218.CB as missing WARNING: atoms too close: (T0375)I94.CB and (T0375)V218.CB only 0.000 apart, marking (T0375)V218.CB as missing WARNING: atoms too close: (T0375)P93.CB and (T0375)V218.CB only 0.000 apart, marking (T0375)V218.CB as missing WARNING: atoms too close: (T0375)Q158.CG and (T0375)V218.CG1 only 0.000 apart, marking (T0375)V218.CG1 as missing WARNING: atoms too close: (T0375)R157.CG and (T0375)V218.CG1 only 0.000 apart, marking (T0375)V218.CG1 as missing WARNING: atoms too close: (T0375)T156.CG2 and (T0375)V218.CG1 only 0.000 apart, marking (T0375)V218.CG1 as missing WARNING: atoms too close: (T0375)N155.CG and (T0375)V218.CG1 only 0.000 apart, marking (T0375)V218.CG1 as missing WARNING: atoms too close: (T0375)H154.CG and (T0375)V218.CG1 only 0.000 apart, marking (T0375)V218.CG1 as missing WARNING: atoms too close: (T0375)D152.CG and (T0375)V218.CG1 only 0.000 apart, marking (T0375)V218.CG1 as missing WARNING: atoms too close: (T0375)I151.CG1 and (T0375)V218.CG1 only 0.000 apart, marking (T0375)V218.CG1 as missing WARNING: atoms too close: (T0375)T96.CG2 and (T0375)V218.CG1 only 0.000 apart, marking (T0375)V218.CG1 as missing WARNING: atoms too close: (T0375)I94.CG1 and (T0375)V218.CG1 only 0.000 apart, marking (T0375)V218.CG1 as missing WARNING: atoms too close: (T0375)A217.O and (T0375)V218.O only 0.000 apart, marking (T0375)V218.O as missing WARNING: atoms too close: (T0375)P160.O and (T0375)V218.O only 0.000 apart, marking (T0375)V218.O as missing WARNING: atoms too close: (T0375)P159.O and (T0375)V218.O only 0.000 apart, marking (T0375)V218.O as missing WARNING: atoms too close: (T0375)Q158.O and (T0375)V218.O only 0.000 apart, marking (T0375)V218.O as missing WARNING: atoms too close: (T0375)R157.O and (T0375)V218.O only 0.000 apart, marking (T0375)V218.O as missing WARNING: atoms too close: (T0375)T156.O and (T0375)V218.O only 0.000 apart, marking (T0375)V218.O as missing WARNING: atoms too close: (T0375)N155.O and (T0375)V218.O only 0.000 apart, marking (T0375)V218.O as missing WARNING: atoms too close: (T0375)H154.O and (T0375)V218.O only 0.000 apart, marking (T0375)V218.O as missing WARNING: atoms too close: (T0375)A153.O and (T0375)V218.O only 0.000 apart, marking (T0375)V218.O as missing WARNING: atoms too close: (T0375)D152.O and (T0375)V218.O only 0.000 apart, marking (T0375)V218.O as missing WARNING: atoms too close: (T0375)I151.O and (T0375)V218.O only 0.000 apart, marking (T0375)V218.O as missing WARNING: atoms too close: (T0375)T96.O and (T0375)V218.O only 0.000 apart, marking (T0375)V218.O as missing WARNING: atoms too close: (T0375)A95.O and (T0375)V218.O only 0.000 apart, marking (T0375)V218.O as missing WARNING: atoms too close: (T0375)I94.O and (T0375)V218.O only 0.000 apart, marking (T0375)V218.O as missing WARNING: atoms too close: (T0375)P93.O and (T0375)V218.O only 0.000 apart, marking (T0375)V218.O as missing WARNING: atoms too close: (T0375)A217.C and (T0375)V218.C only 0.000 apart, marking (T0375)V218.C as missing WARNING: atoms too close: (T0375)P160.C and (T0375)V218.C only 0.000 apart, marking (T0375)V218.C as missing WARNING: atoms too close: (T0375)P159.C and (T0375)V218.C only 0.000 apart, marking (T0375)V218.C as missing WARNING: atoms too close: (T0375)Q158.C and (T0375)V218.C only 0.000 apart, marking (T0375)V218.C as missing WARNING: atoms too close: (T0375)R157.C and (T0375)V218.C only 0.000 apart, marking (T0375)V218.C as missing WARNING: atoms too close: (T0375)T156.C and (T0375)V218.C only 0.000 apart, marking (T0375)V218.C as missing WARNING: atoms too close: (T0375)N155.C and (T0375)V218.C only 0.000 apart, marking (T0375)V218.C as missing WARNING: atoms too close: (T0375)H154.C and (T0375)V218.C only 0.000 apart, marking (T0375)V218.C as missing WARNING: atoms too close: (T0375)A153.C and (T0375)V218.C only 0.000 apart, marking (T0375)V218.C as missing WARNING: atoms too close: (T0375)D152.C and (T0375)V218.C only 0.000 apart, marking (T0375)V218.C as missing WARNING: atoms too close: (T0375)I151.C and (T0375)V218.C only 0.000 apart, marking (T0375)V218.C as missing WARNING: atoms too close: (T0375)T96.C and (T0375)V218.C only 0.000 apart, marking (T0375)V218.C as missing WARNING: atoms too close: (T0375)A95.C and (T0375)V218.C only 0.000 apart, marking (T0375)V218.C as missing WARNING: atoms too close: (T0375)I94.C and (T0375)V218.C only 0.000 apart, marking (T0375)V218.C as missing WARNING: atoms too close: (T0375)P93.C and (T0375)V218.C only 0.000 apart, marking (T0375)V218.C as missing WARNING: atoms too close: (T0375)V218.N and (T0375)L238.N only 0.000 apart, marking (T0375)V218.N as missing WARNING: atoms too close: (T0375)A217.N and (T0375)L238.N only 0.000 apart, marking (T0375)A217.N as missing WARNING: atoms too close: (T0375)P160.N and (T0375)L238.N only 0.000 apart, marking (T0375)P160.N as missing WARNING: atoms too close: (T0375)P159.N and (T0375)L238.N only 0.000 apart, marking (T0375)P159.N as missing WARNING: atoms too close: (T0375)Q158.N and (T0375)L238.N only 0.000 apart, marking (T0375)Q158.N as missing WARNING: atoms too close: (T0375)R157.N and (T0375)L238.N only 0.000 apart, marking (T0375)R157.N as missing WARNING: atoms too close: (T0375)T156.N and (T0375)L238.N only 0.000 apart, marking (T0375)T156.N as missing WARNING: atoms too close: (T0375)N155.N and (T0375)L238.N only 0.000 apart, marking (T0375)N155.N as missing WARNING: atoms too close: (T0375)H154.N and (T0375)L238.N only 0.000 apart, marking (T0375)H154.N as missing WARNING: atoms too close: (T0375)A153.N and (T0375)L238.N only 0.000 apart, marking (T0375)A153.N as missing WARNING: atoms too close: (T0375)D152.N and (T0375)L238.N only 0.000 apart, marking (T0375)D152.N as missing WARNING: atoms too close: (T0375)I151.N and (T0375)L238.N only 0.000 apart, marking (T0375)I151.N as missing WARNING: atoms too close: (T0375)T96.N and (T0375)L238.N only 0.000 apart, marking (T0375)T96.N as missing WARNING: atoms too close: (T0375)A95.N and (T0375)L238.N only 0.000 apart, marking (T0375)A95.N as missing WARNING: atoms too close: (T0375)I94.N and (T0375)L238.N only 0.000 apart, marking (T0375)I94.N as missing WARNING: atoms too close: (T0375)P93.N and (T0375)L238.N only 0.000 apart, marking (T0375)L238.N as missing WARNING: atoms too close: (T0375)V218.CA and (T0375)L238.CA only 0.000 apart, marking (T0375)L238.CA as missing WARNING: atoms too close: (T0375)A217.CA and (T0375)L238.CA only 0.000 apart, marking (T0375)L238.CA as missing WARNING: atoms too close: (T0375)P160.CA and (T0375)L238.CA only 0.000 apart, marking (T0375)L238.CA as missing WARNING: atoms too close: (T0375)P159.CA and (T0375)L238.CA only 0.000 apart, marking (T0375)L238.CA as missing WARNING: atoms too close: (T0375)Q158.CA and (T0375)L238.CA only 0.000 apart, marking (T0375)L238.CA as missing WARNING: atoms too close: (T0375)R157.CA and (T0375)L238.CA only 0.000 apart, marking (T0375)L238.CA as missing WARNING: atoms too close: (T0375)T156.CA and (T0375)L238.CA only 0.000 apart, marking (T0375)L238.CA as missing WARNING: atoms too close: (T0375)N155.CA and (T0375)L238.CA only 0.000 apart, marking (T0375)L238.CA as missing WARNING: atoms too close: (T0375)H154.CA and (T0375)L238.CA only 0.000 apart, marking (T0375)L238.CA as missing WARNING: atoms too close: (T0375)A153.CA and (T0375)L238.CA only 0.000 apart, marking (T0375)L238.CA as missing WARNING: atoms too close: (T0375)D152.CA and (T0375)L238.CA only 0.000 apart, marking (T0375)L238.CA as missing WARNING: atoms too close: (T0375)I151.CA and (T0375)L238.CA only 0.000 apart, marking (T0375)L238.CA as missing WARNING: atoms too close: (T0375)T96.CA and (T0375)L238.CA only 0.000 apart, marking (T0375)L238.CA as missing WARNING: atoms too close: (T0375)A95.CA and (T0375)L238.CA only 0.000 apart, marking (T0375)L238.CA as missing WARNING: atoms too close: (T0375)I94.CA and (T0375)L238.CA only 0.000 apart, marking (T0375)L238.CA as missing WARNING: atoms too close: (T0375)P93.CA and (T0375)L238.CA only 0.000 apart, marking (T0375)L238.CA as missing WARNING: atoms too close: (T0375)V218.CB and (T0375)L238.CB only 0.000 apart, marking (T0375)L238.CB as missing WARNING: atoms too close: (T0375)A217.CB and (T0375)L238.CB only 0.000 apart, marking (T0375)L238.CB as missing WARNING: atoms too close: (T0375)P160.CB and (T0375)L238.CB only 0.000 apart, marking (T0375)L238.CB as missing WARNING: atoms too close: (T0375)P159.CB and (T0375)L238.CB only 0.000 apart, marking (T0375)L238.CB as missing WARNING: atoms too close: (T0375)Q158.CB and (T0375)L238.CB only 0.000 apart, marking (T0375)L238.CB as missing WARNING: atoms too close: (T0375)R157.CB and (T0375)L238.CB only 0.000 apart, marking (T0375)L238.CB as missing WARNING: atoms too close: (T0375)T156.CB and (T0375)L238.CB only 0.000 apart, marking (T0375)L238.CB as missing WARNING: atoms too close: (T0375)N155.CB and (T0375)L238.CB only 0.000 apart, marking (T0375)L238.CB as missing WARNING: atoms too close: (T0375)H154.CB and (T0375)L238.CB only 0.000 apart, marking (T0375)L238.CB as missing WARNING: atoms too close: (T0375)A153.CB and (T0375)L238.CB only 0.000 apart, marking (T0375)L238.CB as missing WARNING: atoms too close: (T0375)D152.CB and (T0375)L238.CB only 0.000 apart, marking (T0375)L238.CB as missing WARNING: atoms too close: (T0375)I151.CB and (T0375)L238.CB only 0.000 apart, marking (T0375)L238.CB as missing WARNING: atoms too close: (T0375)T96.CB and (T0375)L238.CB only 0.000 apart, marking (T0375)L238.CB as missing WARNING: atoms too close: (T0375)A95.CB and (T0375)L238.CB only 0.000 apart, marking (T0375)L238.CB as missing WARNING: atoms too close: (T0375)I94.CB and (T0375)L238.CB only 0.000 apart, marking (T0375)L238.CB as missing WARNING: atoms too close: (T0375)P93.CB and (T0375)L238.CB only 0.000 apart, marking (T0375)L238.CB as missing WARNING: atoms too close: (T0375)V218.CG1 and (T0375)L238.CG only 0.000 apart, marking (T0375)L238.CG as missing WARNING: atoms too close: (T0375)Q158.CG and (T0375)L238.CG only 0.000 apart, marking (T0375)L238.CG as missing WARNING: atoms too close: (T0375)R157.CG and (T0375)L238.CG only 0.000 apart, marking (T0375)L238.CG as missing WARNING: atoms too close: (T0375)T156.CG2 and (T0375)L238.CG only 0.000 apart, marking (T0375)L238.CG as missing WARNING: atoms too close: (T0375)N155.CG and (T0375)L238.CG only 0.000 apart, marking (T0375)L238.CG as missing WARNING: atoms too close: (T0375)H154.CG and (T0375)L238.CG only 0.000 apart, marking (T0375)L238.CG as missing WARNING: atoms too close: (T0375)D152.CG and (T0375)L238.CG only 0.000 apart, marking (T0375)L238.CG as missing WARNING: atoms too close: (T0375)I151.CG1 and (T0375)L238.CG only 0.000 apart, marking (T0375)L238.CG as missing WARNING: atoms too close: (T0375)T96.CG2 and (T0375)L238.CG only 0.000 apart, marking (T0375)L238.CG as missing WARNING: atoms too close: (T0375)I94.CG1 and (T0375)L238.CG only 0.000 apart, marking (T0375)L238.CG as missing WARNING: atoms too close: (T0375)V218.O and (T0375)L238.O only 0.000 apart, marking (T0375)L238.O as missing WARNING: atoms too close: (T0375)A217.O and (T0375)L238.O only 0.000 apart, marking (T0375)L238.O as missing WARNING: atoms too close: (T0375)P160.O and (T0375)L238.O only 0.000 apart, marking (T0375)L238.O as missing WARNING: atoms too close: (T0375)P159.O and (T0375)L238.O only 0.000 apart, marking (T0375)L238.O as missing WARNING: atoms too close: (T0375)Q158.O and (T0375)L238.O only 0.000 apart, marking (T0375)L238.O as missing WARNING: atoms too close: (T0375)R157.O and (T0375)L238.O only 0.000 apart, marking (T0375)L238.O as missing WARNING: atoms too close: (T0375)T156.O and (T0375)L238.O only 0.000 apart, marking (T0375)L238.O as missing WARNING: atoms too close: (T0375)N155.O and (T0375)L238.O only 0.000 apart, marking (T0375)L238.O as missing WARNING: atoms too close: (T0375)H154.O and (T0375)L238.O only 0.000 apart, marking (T0375)L238.O as missing WARNING: atoms too close: (T0375)A153.O and (T0375)L238.O only 0.000 apart, marking (T0375)L238.O as missing WARNING: atoms too close: (T0375)D152.O and (T0375)L238.O only 0.000 apart, marking (T0375)L238.O as missing WARNING: atoms too close: (T0375)I151.O and (T0375)L238.O only 0.000 apart, marking (T0375)L238.O as missing WARNING: atoms too close: (T0375)T96.O and (T0375)L238.O only 0.000 apart, marking (T0375)L238.O as missing WARNING: atoms too close: (T0375)A95.O and (T0375)L238.O only 0.000 apart, marking (T0375)L238.O as missing WARNING: atoms too close: (T0375)I94.O and (T0375)L238.O only 0.000 apart, marking (T0375)L238.O as missing WARNING: atoms too close: (T0375)P93.O and (T0375)L238.O only 0.000 apart, marking (T0375)L238.O as missing WARNING: atoms too close: (T0375)V218.C and (T0375)L238.C only 0.000 apart, marking (T0375)L238.C as missing WARNING: atoms too close: (T0375)A217.C and (T0375)L238.C only 0.000 apart, marking (T0375)L238.C as missing WARNING: atoms too close: (T0375)P160.C and (T0375)L238.C only 0.000 apart, marking (T0375)L238.C as missing WARNING: atoms too close: (T0375)P159.C and (T0375)L238.C only 0.000 apart, marking (T0375)L238.C as missing WARNING: atoms too close: (T0375)Q158.C and (T0375)L238.C only 0.000 apart, marking (T0375)L238.C as missing WARNING: atoms too close: (T0375)R157.C and (T0375)L238.C only 0.000 apart, marking (T0375)L238.C as missing WARNING: atoms too close: (T0375)T156.C and (T0375)L238.C only 0.000 apart, marking (T0375)L238.C as missing WARNING: atoms too close: (T0375)N155.C and (T0375)L238.C only 0.000 apart, marking (T0375)L238.C as missing WARNING: atoms too close: (T0375)H154.C and (T0375)L238.C only 0.000 apart, marking (T0375)L238.C as missing WARNING: atoms too close: (T0375)A153.C and (T0375)L238.C only 0.000 apart, marking (T0375)L238.C as missing WARNING: atoms too close: (T0375)D152.C and (T0375)L238.C only 0.000 apart, marking (T0375)L238.C as missing WARNING: atoms too close: (T0375)I151.C and (T0375)L238.C only 0.000 apart, marking (T0375)L238.C as missing WARNING: atoms too close: (T0375)T96.C and (T0375)L238.C only 0.000 apart, marking (T0375)L238.C as missing WARNING: atoms too close: (T0375)A95.C and (T0375)L238.C only 0.000 apart, marking (T0375)L238.C as missing WARNING: atoms too close: (T0375)I94.C and (T0375)L238.C only 0.000 apart, marking (T0375)L238.C as missing WARNING: atoms too close: (T0375)P93.C and (T0375)L238.C only 0.000 apart, marking (T0375)L238.C as missing WARNING: atoms too close: (T0375)L238.N and (T0375)P246.N only 0.000 apart, marking (T0375)L238.N as missing WARNING: atoms too close: (T0375)V218.N and (T0375)P246.N only 0.000 apart, marking (T0375)V218.N as missing WARNING: atoms too close: (T0375)A217.N and (T0375)P246.N only 0.000 apart, marking (T0375)A217.N as missing WARNING: atoms too close: (T0375)P160.N and (T0375)P246.N only 0.000 apart, marking (T0375)P160.N as missing WARNING: atoms too close: (T0375)P159.N and (T0375)P246.N only 0.000 apart, marking (T0375)P159.N as missing WARNING: atoms too close: (T0375)Q158.N and (T0375)P246.N only 0.000 apart, marking (T0375)Q158.N as missing WARNING: atoms too close: (T0375)R157.N and (T0375)P246.N only 0.000 apart, marking (T0375)R157.N as missing WARNING: atoms too close: (T0375)T156.N and (T0375)P246.N only 0.000 apart, marking (T0375)T156.N as missing WARNING: atoms too close: (T0375)N155.N and (T0375)P246.N only 0.000 apart, marking (T0375)N155.N as missing WARNING: atoms too close: (T0375)H154.N and (T0375)P246.N only 0.000 apart, marking (T0375)H154.N as missing WARNING: atoms too close: (T0375)A153.N and (T0375)P246.N only 0.000 apart, marking (T0375)A153.N as missing WARNING: atoms too close: (T0375)D152.N and (T0375)P246.N only 0.000 apart, marking (T0375)D152.N as missing WARNING: atoms too close: (T0375)I151.N and (T0375)P246.N only 0.000 apart, marking (T0375)I151.N as missing WARNING: atoms too close: (T0375)T96.N and (T0375)P246.N only 0.000 apart, marking (T0375)T96.N as missing WARNING: atoms too close: (T0375)A95.N and (T0375)P246.N only 0.000 apart, marking (T0375)A95.N as missing WARNING: atoms too close: (T0375)I94.N and (T0375)P246.N only 0.000 apart, marking (T0375)I94.N as missing WARNING: atoms too close: (T0375)P93.N and (T0375)P246.N only 0.000 apart, marking (T0375)P246.N as missing WARNING: atoms too close: (T0375)L238.CA and (T0375)P246.CA only 0.000 apart, marking (T0375)P246.CA as missing WARNING: atoms too close: (T0375)V218.CA and (T0375)P246.CA only 0.000 apart, marking (T0375)P246.CA as missing WARNING: atoms too close: (T0375)A217.CA and (T0375)P246.CA only 0.000 apart, marking (T0375)P246.CA as missing WARNING: atoms too close: (T0375)P160.CA and (T0375)P246.CA only 0.000 apart, marking (T0375)P246.CA as missing WARNING: atoms too close: (T0375)P159.CA and (T0375)P246.CA only 0.000 apart, marking (T0375)P246.CA as missing WARNING: atoms too close: (T0375)Q158.CA and (T0375)P246.CA only 0.000 apart, marking (T0375)P246.CA as missing WARNING: atoms too close: (T0375)R157.CA and (T0375)P246.CA only 0.000 apart, marking (T0375)P246.CA as missing WARNING: atoms too close: (T0375)T156.CA and (T0375)P246.CA only 0.000 apart, marking (T0375)P246.CA as missing WARNING: atoms too close: (T0375)N155.CA and (T0375)P246.CA only 0.000 apart, marking (T0375)P246.CA as missing WARNING: atoms too close: (T0375)H154.CA and (T0375)P246.CA only 0.000 apart, marking (T0375)P246.CA as missing WARNING: atoms too close: (T0375)A153.CA and (T0375)P246.CA only 0.000 apart, marking (T0375)P246.CA as missing WARNING: atoms too close: (T0375)D152.CA and (T0375)P246.CA only 0.000 apart, marking (T0375)P246.CA as missing WARNING: atoms too close: (T0375)I151.CA and (T0375)P246.CA only 0.000 apart, marking (T0375)P246.CA as missing WARNING: atoms too close: (T0375)T96.CA and (T0375)P246.CA only 0.000 apart, marking (T0375)P246.CA as missing WARNING: atoms too close: (T0375)A95.CA and (T0375)P246.CA only 0.000 apart, marking (T0375)P246.CA as missing WARNING: atoms too close: (T0375)I94.CA and (T0375)P246.CA only 0.000 apart, marking (T0375)P246.CA as missing WARNING: atoms too close: (T0375)P93.CA and (T0375)P246.CA only 0.000 apart, marking (T0375)P246.CA as missing WARNING: atoms too close: (T0375)L238.CB and (T0375)P246.CB only 0.000 apart, marking (T0375)P246.CB as missing WARNING: atoms too close: (T0375)V218.CB and (T0375)P246.CB only 0.000 apart, marking (T0375)P246.CB as missing WARNING: atoms too close: (T0375)A217.CB and (T0375)P246.CB only 0.000 apart, marking (T0375)P246.CB as missing WARNING: atoms too close: (T0375)P160.CB and (T0375)P246.CB only 0.000 apart, marking (T0375)P246.CB as missing WARNING: atoms too close: (T0375)P159.CB and (T0375)P246.CB only 0.000 apart, marking (T0375)P246.CB as missing WARNING: atoms too close: (T0375)Q158.CB and (T0375)P246.CB only 0.000 apart, marking (T0375)P246.CB as missing WARNING: atoms too close: (T0375)R157.CB and (T0375)P246.CB only 0.000 apart, marking (T0375)P246.CB as missing WARNING: atoms too close: (T0375)T156.CB and (T0375)P246.CB only 0.000 apart, marking (T0375)P246.CB as missing WARNING: atoms too close: (T0375)N155.CB and (T0375)P246.CB only 0.000 apart, marking (T0375)P246.CB as missing WARNING: atoms too close: (T0375)H154.CB and (T0375)P246.CB only 0.000 apart, marking (T0375)P246.CB as missing WARNING: atoms too close: (T0375)A153.CB and (T0375)P246.CB only 0.000 apart, marking (T0375)P246.CB as missing WARNING: atoms too close: (T0375)D152.CB and (T0375)P246.CB only 0.000 apart, marking (T0375)P246.CB as missing WARNING: atoms too close: (T0375)I151.CB and (T0375)P246.CB only 0.000 apart, marking (T0375)P246.CB as missing WARNING: atoms too close: (T0375)T96.CB and (T0375)P246.CB only 0.000 apart, marking (T0375)P246.CB as missing WARNING: atoms too close: (T0375)A95.CB and (T0375)P246.CB only 0.000 apart, marking (T0375)P246.CB as missing WARNING: atoms too close: (T0375)I94.CB and (T0375)P246.CB only 0.000 apart, marking (T0375)P246.CB as missing WARNING: atoms too close: (T0375)P93.CB and (T0375)P246.CB only 0.000 apart, marking (T0375)P246.CB as missing WARNING: atoms too close: (T0375)L238.O and (T0375)P246.O only 0.000 apart, marking (T0375)P246.O as missing WARNING: atoms too close: (T0375)V218.O and (T0375)P246.O only 0.000 apart, marking (T0375)P246.O as missing WARNING: atoms too close: (T0375)A217.O and (T0375)P246.O only 0.000 apart, marking (T0375)P246.O as missing WARNING: atoms too close: (T0375)P160.O and (T0375)P246.O only 0.000 apart, marking (T0375)P246.O as missing WARNING: atoms too close: (T0375)P159.O and (T0375)P246.O only 0.000 apart, marking (T0375)P246.O as missing WARNING: atoms too close: (T0375)Q158.O and (T0375)P246.O only 0.000 apart, marking (T0375)P246.O as missing WARNING: atoms too close: (T0375)R157.O and (T0375)P246.O only 0.000 apart, marking (T0375)P246.O as missing WARNING: atoms too close: (T0375)T156.O and (T0375)P246.O only 0.000 apart, marking (T0375)P246.O as missing WARNING: atoms too close: (T0375)N155.O and (T0375)P246.O only 0.000 apart, marking (T0375)P246.O as missing WARNING: atoms too close: (T0375)H154.O and (T0375)P246.O only 0.000 apart, marking (T0375)P246.O as missing WARNING: atoms too close: (T0375)A153.O and (T0375)P246.O only 0.000 apart, marking (T0375)P246.O as missing WARNING: atoms too close: (T0375)D152.O and (T0375)P246.O only 0.000 apart, marking (T0375)P246.O as missing WARNING: atoms too close: (T0375)I151.O and (T0375)P246.O only 0.000 apart, marking (T0375)P246.O as missing WARNING: atoms too close: (T0375)T96.O and (T0375)P246.O only 0.000 apart, marking (T0375)P246.O as missing WARNING: atoms too close: (T0375)A95.O and (T0375)P246.O only 0.000 apart, marking (T0375)P246.O as missing WARNING: atoms too close: (T0375)I94.O and (T0375)P246.O only 0.000 apart, marking (T0375)P246.O as missing WARNING: atoms too close: (T0375)P93.O and (T0375)P246.O only 0.000 apart, marking (T0375)P246.O as missing WARNING: atoms too close: (T0375)L238.C and (T0375)P246.C only 0.000 apart, marking (T0375)P246.C as missing WARNING: atoms too close: (T0375)V218.C and (T0375)P246.C only 0.000 apart, marking (T0375)P246.C as missing WARNING: atoms too close: (T0375)A217.C and (T0375)P246.C only 0.000 apart, marking (T0375)P246.C as missing WARNING: atoms too close: (T0375)P160.C and (T0375)P246.C only 0.000 apart, marking (T0375)P246.C as missing WARNING: atoms too close: (T0375)P159.C and (T0375)P246.C only 0.000 apart, marking (T0375)P246.C as missing WARNING: atoms too close: (T0375)Q158.C and (T0375)P246.C only 0.000 apart, marking (T0375)P246.C as missing WARNING: atoms too close: (T0375)R157.C and (T0375)P246.C only 0.000 apart, marking (T0375)P246.C as missing WARNING: atoms too close: (T0375)T156.C and (T0375)P246.C only 0.000 apart, marking (T0375)P246.C as missing WARNING: atoms too close: (T0375)N155.C and (T0375)P246.C only 0.000 apart, marking (T0375)P246.C as missing WARNING: atoms too close: (T0375)H154.C and (T0375)P246.C only 0.000 apart, marking (T0375)P246.C as missing WARNING: atoms too close: (T0375)A153.C and (T0375)P246.C only 0.000 apart, marking (T0375)P246.C as missing WARNING: atoms too close: (T0375)D152.C and (T0375)P246.C only 0.000 apart, marking (T0375)P246.C as missing WARNING: atoms too close: (T0375)I151.C and (T0375)P246.C only 0.000 apart, marking (T0375)P246.C as missing WARNING: atoms too close: (T0375)T96.C and (T0375)P246.C only 0.000 apart, marking (T0375)P246.C as missing WARNING: atoms too close: (T0375)A95.C and (T0375)P246.C only 0.000 apart, marking (T0375)P246.C as missing WARNING: atoms too close: (T0375)I94.C and (T0375)P246.C only 0.000 apart, marking (T0375)P246.C as missing WARNING: atoms too close: (T0375)P93.C and (T0375)P246.C only 0.000 apart, marking (T0375)P246.C as missing # WARNING: incomplete conformation T0375 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # ReadConformPDB reading from PDB file servers/panther3_TS1.pdb.gz looking for model 1 WARNING: atoms too close: (T0375)V97.N and (T0375)I98.N only 0.000 apart, marking (T0375)I98.N as missing WARNING: atoms too close: (T0375)V97.CA and (T0375)I98.CA only 0.000 apart, marking (T0375)I98.CA as missing WARNING: atoms too close: (T0375)V97.CB and (T0375)I98.CB only 0.000 apart, marking (T0375)I98.CB as missing WARNING: atoms too close: (T0375)V97.CG1 and (T0375)I98.CG1 only 0.000 apart, marking (T0375)I98.CG1 as missing WARNING: atoms too close: (T0375)V97.O and (T0375)I98.O only 0.000 apart, marking (T0375)I98.O as missing WARNING: atoms too close: (T0375)V97.C and (T0375)I98.C only 0.000 apart, marking (T0375)I98.C as missing WARNING: atoms too close: (T0375)I98.N and (T0375)I99.N only 0.000 apart, marking (T0375)I98.N as missing WARNING: atoms too close: (T0375)V97.N and (T0375)I99.N only 0.000 apart, marking (T0375)I99.N as missing WARNING: atoms too close: (T0375)I98.CA and (T0375)I99.CA only 0.000 apart, marking (T0375)I99.CA as missing WARNING: atoms too close: (T0375)V97.CA and (T0375)I99.CA only 0.000 apart, marking (T0375)I99.CA as missing WARNING: atoms too close: (T0375)I98.CB and (T0375)I99.CB only 0.000 apart, marking (T0375)I99.CB as missing WARNING: atoms too close: (T0375)V97.CB and (T0375)I99.CB only 0.000 apart, marking (T0375)I99.CB as missing WARNING: atoms too close: (T0375)I98.CG1 and (T0375)I99.CG1 only 0.000 apart, marking (T0375)I99.CG1 as missing WARNING: atoms too close: (T0375)V97.CG1 and (T0375)I99.CG1 only 0.000 apart, marking (T0375)I99.CG1 as missing WARNING: atoms too close: (T0375)I98.O and (T0375)I99.O only 0.000 apart, marking (T0375)I99.O as missing WARNING: atoms too close: (T0375)V97.O and (T0375)I99.O only 0.000 apart, marking (T0375)I99.O as missing WARNING: atoms too close: (T0375)I98.C and (T0375)I99.C only 0.000 apart, marking (T0375)I99.C as missing WARNING: atoms too close: (T0375)V97.C and (T0375)I99.C only 0.000 apart, marking (T0375)I99.C as missing WARNING: atoms too close: (T0375)I99.N and (T0375)N100.N only 0.000 apart, marking (T0375)I99.N as missing WARNING: atoms too close: (T0375)I98.N and (T0375)N100.N only 0.000 apart, marking (T0375)I98.N as missing WARNING: atoms too close: (T0375)V97.N and (T0375)N100.N only 0.000 apart, marking (T0375)N100.N as missing WARNING: atoms too close: (T0375)I99.CA and (T0375)N100.CA only 0.000 apart, marking (T0375)N100.CA as missing WARNING: atoms too close: (T0375)I98.CA and (T0375)N100.CA only 0.000 apart, marking (T0375)N100.CA as missing WARNING: atoms too close: (T0375)V97.CA and (T0375)N100.CA only 0.000 apart, marking (T0375)N100.CA as missing WARNING: atoms too close: (T0375)I99.CB and (T0375)N100.CB only 0.000 apart, marking (T0375)N100.CB as missing WARNING: atoms too close: (T0375)I98.CB and (T0375)N100.CB only 0.000 apart, marking (T0375)N100.CB as missing WARNING: atoms too close: (T0375)V97.CB and (T0375)N100.CB only 0.000 apart, marking (T0375)N100.CB as missing WARNING: atoms too close: (T0375)I99.CG1 and (T0375)N100.CG only 0.000 apart, marking (T0375)N100.CG as missing WARNING: atoms too close: (T0375)I98.CG1 and (T0375)N100.CG only 0.000 apart, marking (T0375)N100.CG as missing WARNING: atoms too close: (T0375)V97.CG1 and (T0375)N100.CG only 0.000 apart, marking (T0375)N100.CG as missing WARNING: atoms too close: (T0375)I99.O and (T0375)N100.O only 0.000 apart, marking (T0375)N100.O as missing WARNING: atoms too close: (T0375)I98.O and (T0375)N100.O only 0.000 apart, marking (T0375)N100.O as missing WARNING: atoms too close: (T0375)V97.O and (T0375)N100.O only 0.000 apart, marking (T0375)N100.O as missing WARNING: atoms too close: (T0375)I99.C and (T0375)N100.C only 0.000 apart, marking (T0375)N100.C as missing WARNING: atoms too close: (T0375)I98.C and (T0375)N100.C only 0.000 apart, marking (T0375)N100.C as missing WARNING: atoms too close: (T0375)V97.C and (T0375)N100.C only 0.000 apart, marking (T0375)N100.C as missing WARNING: atoms too close: (T0375)N100.N and (T0375)V166.N only 0.000 apart, marking (T0375)N100.N as missing WARNING: atoms too close: (T0375)I99.N and (T0375)V166.N only 0.000 apart, marking (T0375)I99.N as missing WARNING: atoms too close: (T0375)I98.N and (T0375)V166.N only 0.000 apart, marking (T0375)I98.N as missing WARNING: atoms too close: (T0375)V97.N and (T0375)V166.N only 0.000 apart, marking (T0375)V166.N as missing WARNING: atoms too close: (T0375)N100.CA and (T0375)V166.CA only 0.000 apart, marking (T0375)V166.CA as missing WARNING: atoms too close: (T0375)I99.CA and (T0375)V166.CA only 0.000 apart, marking (T0375)V166.CA as missing WARNING: atoms too close: (T0375)I98.CA and (T0375)V166.CA only 0.000 apart, marking (T0375)V166.CA as missing WARNING: atoms too close: (T0375)V97.CA and (T0375)V166.CA only 0.000 apart, marking (T0375)V166.CA as missing WARNING: atoms too close: (T0375)N100.CB and (T0375)V166.CB only 0.000 apart, marking (T0375)V166.CB as missing WARNING: atoms too close: (T0375)I99.CB and (T0375)V166.CB only 0.000 apart, marking (T0375)V166.CB as missing WARNING: atoms too close: (T0375)I98.CB and (T0375)V166.CB only 0.000 apart, marking (T0375)V166.CB as missing WARNING: atoms too close: (T0375)V97.CB and (T0375)V166.CB only 0.000 apart, marking (T0375)V166.CB as missing WARNING: atoms too close: (T0375)N100.CG and (T0375)V166.CG1 only 0.000 apart, marking (T0375)V166.CG1 as missing WARNING: atoms too close: (T0375)I99.CG1 and (T0375)V166.CG1 only 0.000 apart, marking (T0375)V166.CG1 as missing WARNING: atoms too close: (T0375)I98.CG1 and (T0375)V166.CG1 only 0.000 apart, marking (T0375)V166.CG1 as missing WARNING: atoms too close: (T0375)V97.CG1 and (T0375)V166.CG1 only 0.000 apart, marking (T0375)V166.CG1 as missing WARNING: atoms too close: (T0375)N100.O and (T0375)V166.O only 0.000 apart, marking (T0375)V166.O as missing WARNING: atoms too close: (T0375)I99.O and (T0375)V166.O only 0.000 apart, marking (T0375)V166.O as missing WARNING: atoms too close: (T0375)I98.O and (T0375)V166.O only 0.000 apart, marking (T0375)V166.O as missing WARNING: atoms too close: (T0375)V97.O and (T0375)V166.O only 0.000 apart, marking (T0375)V166.O as missing WARNING: atoms too close: (T0375)N100.C and (T0375)V166.C only 0.000 apart, marking (T0375)V166.C as missing WARNING: atoms too close: (T0375)I99.C and (T0375)V166.C only 0.000 apart, marking (T0375)V166.C as missing WARNING: atoms too close: (T0375)I98.C and (T0375)V166.C only 0.000 apart, marking (T0375)V166.C as missing WARNING: atoms too close: (T0375)V97.C and (T0375)V166.C only 0.000 apart, marking (T0375)V166.C as missing WARNING: atoms too close: (T0375)V166.N and (T0375)S167.N only 0.000 apart, marking (T0375)V166.N as missing WARNING: atoms too close: (T0375)N100.N and (T0375)S167.N only 0.000 apart, marking (T0375)N100.N as missing WARNING: atoms too close: (T0375)I99.N and (T0375)S167.N only 0.000 apart, marking (T0375)I99.N as missing WARNING: atoms too close: (T0375)I98.N and (T0375)S167.N only 0.000 apart, marking (T0375)I98.N as missing WARNING: atoms too close: (T0375)V97.N and (T0375)S167.N only 0.000 apart, marking (T0375)S167.N as missing WARNING: atoms too close: (T0375)V166.CA and (T0375)S167.CA only 0.000 apart, marking (T0375)S167.CA as missing WARNING: atoms too close: (T0375)N100.CA and (T0375)S167.CA only 0.000 apart, marking (T0375)S167.CA as missing WARNING: atoms too close: (T0375)I99.CA and (T0375)S167.CA only 0.000 apart, marking (T0375)S167.CA as missing WARNING: atoms too close: (T0375)I98.CA and (T0375)S167.CA only 0.000 apart, marking (T0375)S167.CA as missing WARNING: atoms too close: (T0375)V97.CA and (T0375)S167.CA only 0.000 apart, marking (T0375)S167.CA as missing WARNING: atoms too close: (T0375)V166.CB and (T0375)S167.CB only 0.000 apart, marking (T0375)S167.CB as missing WARNING: atoms too close: (T0375)N100.CB and (T0375)S167.CB only 0.000 apart, marking (T0375)S167.CB as missing WARNING: atoms too close: (T0375)I99.CB and (T0375)S167.CB only 0.000 apart, marking (T0375)S167.CB as missing WARNING: atoms too close: (T0375)I98.CB and (T0375)S167.CB only 0.000 apart, marking (T0375)S167.CB as missing WARNING: atoms too close: (T0375)V97.CB and (T0375)S167.CB only 0.000 apart, marking (T0375)S167.CB as missing WARNING: atoms too close: (T0375)V166.O and (T0375)S167.O only 0.000 apart, marking (T0375)S167.O as missing WARNING: atoms too close: (T0375)N100.O and (T0375)S167.O only 0.000 apart, marking (T0375)S167.O as missing WARNING: atoms too close: (T0375)I99.O and (T0375)S167.O only 0.000 apart, marking (T0375)S167.O as missing WARNING: atoms too close: (T0375)I98.O and (T0375)S167.O only 0.000 apart, marking (T0375)S167.O as missing WARNING: atoms too close: (T0375)V97.O and (T0375)S167.O only 0.000 apart, marking (T0375)S167.O as missing WARNING: atoms too close: (T0375)V166.C and (T0375)S167.C only 0.000 apart, marking (T0375)S167.C as missing WARNING: atoms too close: (T0375)N100.C and (T0375)S167.C only 0.000 apart, marking (T0375)S167.C as missing WARNING: atoms too close: (T0375)I99.C and (T0375)S167.C only 0.000 apart, marking (T0375)S167.C as missing WARNING: atoms too close: (T0375)I98.C and (T0375)S167.C only 0.000 apart, marking (T0375)S167.C as missing WARNING: atoms too close: (T0375)V97.C and (T0375)S167.C only 0.000 apart, marking (T0375)S167.C as missing WARNING: atoms too close: (T0375)S167.N and (T0375)V168.N only 0.000 apart, marking (T0375)S167.N as missing WARNING: atoms too close: (T0375)V166.N and (T0375)V168.N only 0.000 apart, marking (T0375)V166.N as missing WARNING: atoms too close: (T0375)N100.N and (T0375)V168.N only 0.000 apart, marking (T0375)N100.N as missing WARNING: atoms too close: (T0375)I99.N and (T0375)V168.N only 0.000 apart, marking (T0375)I99.N as missing WARNING: atoms too close: (T0375)I98.N and (T0375)V168.N only 0.000 apart, marking (T0375)I98.N as missing WARNING: atoms too close: (T0375)V97.N and (T0375)V168.N only 0.000 apart, marking (T0375)V168.N as missing WARNING: atoms too close: (T0375)S167.CA and (T0375)V168.CA only 0.000 apart, marking (T0375)V168.CA as missing WARNING: atoms too close: (T0375)V166.CA and (T0375)V168.CA only 0.000 apart, marking (T0375)V168.CA as missing WARNING: atoms too close: (T0375)N100.CA and (T0375)V168.CA only 0.000 apart, marking (T0375)V168.CA as missing WARNING: atoms too close: (T0375)I99.CA and (T0375)V168.CA only 0.000 apart, marking (T0375)V168.CA as missing WARNING: atoms too close: (T0375)I98.CA and (T0375)V168.CA only 0.000 apart, marking (T0375)V168.CA as missing WARNING: atoms too close: (T0375)V97.CA and (T0375)V168.CA only 0.000 apart, marking (T0375)V168.CA as missing WARNING: atoms too close: (T0375)S167.CB and (T0375)V168.CB only 0.000 apart, marking (T0375)V168.CB as missing WARNING: atoms too close: (T0375)V166.CB and (T0375)V168.CB only 0.000 apart, marking (T0375)V168.CB as missing WARNING: atoms too close: (T0375)N100.CB and (T0375)V168.CB only 0.000 apart, marking (T0375)V168.CB as missing WARNING: atoms too close: (T0375)I99.CB and (T0375)V168.CB only 0.000 apart, marking (T0375)V168.CB as missing WARNING: atoms too close: (T0375)I98.CB and (T0375)V168.CB only 0.000 apart, marking (T0375)V168.CB as missing WARNING: atoms too close: (T0375)V97.CB and (T0375)V168.CB only 0.000 apart, marking (T0375)V168.CB as missing WARNING: atoms too close: (T0375)V166.CG1 and (T0375)V168.CG1 only 0.000 apart, marking (T0375)V168.CG1 as missing WARNING: atoms too close: (T0375)N100.CG and (T0375)V168.CG1 only 0.000 apart, marking (T0375)V168.CG1 as missing WARNING: atoms too close: (T0375)I99.CG1 and (T0375)V168.CG1 only 0.000 apart, marking (T0375)V168.CG1 as missing WARNING: atoms too close: (T0375)I98.CG1 and (T0375)V168.CG1 only 0.000 apart, marking (T0375)V168.CG1 as missing WARNING: atoms too close: (T0375)V97.CG1 and (T0375)V168.CG1 only 0.000 apart, marking (T0375)V168.CG1 as missing WARNING: atoms too close: (T0375)S167.O and (T0375)V168.O only 0.000 apart, marking (T0375)V168.O as missing WARNING: atoms too close: (T0375)V166.O and (T0375)V168.O only 0.000 apart, marking (T0375)V168.O as missing WARNING: atoms too close: (T0375)N100.O and (T0375)V168.O only 0.000 apart, marking (T0375)V168.O as missing WARNING: atoms too close: (T0375)I99.O and (T0375)V168.O only 0.000 apart, marking (T0375)V168.O as missing WARNING: atoms too close: (T0375)I98.O and (T0375)V168.O only 0.000 apart, marking (T0375)V168.O as missing WARNING: atoms too close: (T0375)V97.O and (T0375)V168.O only 0.000 apart, marking (T0375)V168.O as missing WARNING: atoms too close: (T0375)S167.C and (T0375)V168.C only 0.000 apart, marking (T0375)V168.C as missing WARNING: atoms too close: (T0375)V166.C and (T0375)V168.C only 0.000 apart, marking (T0375)V168.C as missing WARNING: atoms too close: (T0375)N100.C and (T0375)V168.C only 0.000 apart, marking (T0375)V168.C as missing WARNING: atoms too close: (T0375)I99.C and (T0375)V168.C only 0.000 apart, marking (T0375)V168.C as missing WARNING: atoms too close: (T0375)I98.C and (T0375)V168.C only 0.000 apart, marking (T0375)V168.C as missing WARNING: atoms too close: (T0375)V97.C and (T0375)V168.C only 0.000 apart, marking (T0375)V168.C as missing WARNING: atoms too close: (T0375)V168.N and (T0375)E169.N only 0.000 apart, marking (T0375)V168.N as missing WARNING: atoms too close: (T0375)S167.N and (T0375)E169.N only 0.000 apart, marking (T0375)S167.N as missing WARNING: atoms too close: (T0375)V166.N and (T0375)E169.N only 0.000 apart, marking (T0375)V166.N as missing WARNING: atoms too close: (T0375)N100.N and (T0375)E169.N only 0.000 apart, marking (T0375)N100.N as missing WARNING: atoms too close: (T0375)I99.N and (T0375)E169.N only 0.000 apart, marking (T0375)I99.N as missing WARNING: atoms too close: (T0375)I98.N and (T0375)E169.N only 0.000 apart, marking (T0375)I98.N as missing WARNING: atoms too close: (T0375)V97.N and (T0375)E169.N only 0.000 apart, marking (T0375)E169.N as missing WARNING: atoms too close: (T0375)V168.CA and (T0375)E169.CA only 0.000 apart, marking (T0375)E169.CA as missing WARNING: atoms too close: (T0375)S167.CA and (T0375)E169.CA only 0.000 apart, marking (T0375)E169.CA as missing WARNING: atoms too close: (T0375)V166.CA and (T0375)E169.CA only 0.000 apart, marking (T0375)E169.CA as missing WARNING: atoms too close: (T0375)N100.CA and (T0375)E169.CA only 0.000 apart, marking (T0375)E169.CA as missing WARNING: atoms too close: (T0375)I99.CA and (T0375)E169.CA only 0.000 apart, marking (T0375)E169.CA as missing WARNING: atoms too close: (T0375)I98.CA and (T0375)E169.CA only 0.000 apart, marking (T0375)E169.CA as missing WARNING: atoms too close: (T0375)V97.CA and (T0375)E169.CA only 0.000 apart, marking (T0375)E169.CA as missing WARNING: atoms too close: (T0375)V168.CB and (T0375)E169.CB only 0.000 apart, marking (T0375)E169.CB as missing WARNING: atoms too close: (T0375)S167.CB and (T0375)E169.CB only 0.000 apart, marking (T0375)E169.CB as missing WARNING: atoms too close: (T0375)V166.CB and (T0375)E169.CB only 0.000 apart, marking (T0375)E169.CB as missing WARNING: atoms too close: (T0375)N100.CB and (T0375)E169.CB only 0.000 apart, marking (T0375)E169.CB as missing WARNING: atoms too close: (T0375)I99.CB and (T0375)E169.CB only 0.000 apart, marking (T0375)E169.CB as missing WARNING: atoms too close: (T0375)I98.CB and (T0375)E169.CB only 0.000 apart, marking (T0375)E169.CB as missing WARNING: atoms too close: (T0375)V97.CB and (T0375)E169.CB only 0.000 apart, marking (T0375)E169.CB as missing WARNING: atoms too close: (T0375)V168.CG1 and (T0375)E169.CG only 0.000 apart, marking (T0375)E169.CG as missing WARNING: atoms too close: (T0375)V166.CG1 and (T0375)E169.CG only 0.000 apart, marking (T0375)E169.CG as missing WARNING: atoms too close: (T0375)N100.CG and (T0375)E169.CG only 0.000 apart, marking (T0375)E169.CG as missing WARNING: atoms too close: (T0375)I99.CG1 and (T0375)E169.CG only 0.000 apart, marking (T0375)E169.CG as missing WARNING: atoms too close: (T0375)I98.CG1 and (T0375)E169.CG only 0.000 apart, marking (T0375)E169.CG as missing WARNING: atoms too close: (T0375)V97.CG1 and (T0375)E169.CG only 0.000 apart, marking (T0375)E169.CG as missing WARNING: atoms too close: (T0375)V168.O and (T0375)E169.O only 0.000 apart, marking (T0375)E169.O as missing WARNING: atoms too close: (T0375)S167.O and (T0375)E169.O only 0.000 apart, marking (T0375)E169.O as missing WARNING: atoms too close: (T0375)V166.O and (T0375)E169.O only 0.000 apart, marking (T0375)E169.O as missing WARNING: atoms too close: (T0375)N100.O and (T0375)E169.O only 0.000 apart, marking (T0375)E169.O as missing WARNING: atoms too close: (T0375)I99.O and (T0375)E169.O only 0.000 apart, marking (T0375)E169.O as missing WARNING: atoms too close: (T0375)I98.O and (T0375)E169.O only 0.000 apart, marking (T0375)E169.O as missing WARNING: atoms too close: (T0375)V97.O and (T0375)E169.O only 0.000 apart, marking (T0375)E169.O as missing WARNING: atoms too close: (T0375)V168.C and (T0375)E169.C only 0.000 apart, marking (T0375)E169.C as missing WARNING: atoms too close: (T0375)S167.C and (T0375)E169.C only 0.000 apart, marking (T0375)E169.C as missing WARNING: atoms too close: (T0375)V166.C and (T0375)E169.C only 0.000 apart, marking (T0375)E169.C as missing WARNING: atoms too close: (T0375)N100.C and (T0375)E169.C only 0.000 apart, marking (T0375)E169.C as missing WARNING: atoms too close: (T0375)I99.C and (T0375)E169.C only 0.000 apart, marking (T0375)E169.C as missing WARNING: atoms too close: (T0375)I98.C and (T0375)E169.C only 0.000 apart, marking (T0375)E169.C as missing WARNING: atoms too close: (T0375)V97.C and (T0375)E169.C only 0.000 apart, marking (T0375)E169.C as missing WARNING: atoms too close: (T0375)E169.N and (T0375)V170.N only 0.000 apart, marking (T0375)E169.N as missing WARNING: atoms too close: (T0375)V168.N and (T0375)V170.N only 0.000 apart, marking (T0375)V168.N as missing WARNING: atoms too close: (T0375)S167.N and (T0375)V170.N only 0.000 apart, marking (T0375)S167.N as missing WARNING: atoms too close: (T0375)V166.N and (T0375)V170.N only 0.000 apart, marking (T0375)V166.N as missing WARNING: atoms too close: (T0375)N100.N and (T0375)V170.N only 0.000 apart, marking (T0375)N100.N as missing WARNING: atoms too close: (T0375)I99.N and (T0375)V170.N only 0.000 apart, marking (T0375)I99.N as missing WARNING: atoms too close: (T0375)I98.N and (T0375)V170.N only 0.000 apart, marking (T0375)I98.N as missing WARNING: atoms too close: (T0375)V97.N and (T0375)V170.N only 0.000 apart, marking (T0375)V170.N as missing WARNING: atoms too close: (T0375)E169.CA and (T0375)V170.CA only 0.000 apart, marking (T0375)V170.CA as missing WARNING: atoms too close: (T0375)V168.CA and (T0375)V170.CA only 0.000 apart, marking (T0375)V170.CA as missing WARNING: atoms too close: (T0375)S167.CA and (T0375)V170.CA only 0.000 apart, marking (T0375)V170.CA as missing WARNING: atoms too close: (T0375)V166.CA and (T0375)V170.CA only 0.000 apart, marking (T0375)V170.CA as missing WARNING: atoms too close: (T0375)N100.CA and (T0375)V170.CA only 0.000 apart, marking (T0375)V170.CA as missing WARNING: atoms too close: (T0375)I99.CA and (T0375)V170.CA only 0.000 apart, marking (T0375)V170.CA as missing WARNING: atoms too close: (T0375)I98.CA and (T0375)V170.CA only 0.000 apart, marking (T0375)V170.CA as missing WARNING: atoms too close: (T0375)V97.CA and (T0375)V170.CA only 0.000 apart, marking (T0375)V170.CA as missing WARNING: atoms too close: (T0375)E169.CB and (T0375)V170.CB only 0.000 apart, marking (T0375)V170.CB as missing WARNING: atoms too close: (T0375)V168.CB and (T0375)V170.CB only 0.000 apart, marking (T0375)V170.CB as missing WARNING: atoms too close: (T0375)S167.CB and (T0375)V170.CB only 0.000 apart, marking (T0375)V170.CB as missing WARNING: atoms too close: (T0375)V166.CB and (T0375)V170.CB only 0.000 apart, marking (T0375)V170.CB as missing WARNING: atoms too close: (T0375)N100.CB and (T0375)V170.CB only 0.000 apart, marking (T0375)V170.CB as missing WARNING: atoms too close: (T0375)I99.CB and (T0375)V170.CB only 0.000 apart, marking (T0375)V170.CB as missing WARNING: atoms too close: (T0375)I98.CB and (T0375)V170.CB only 0.000 apart, marking (T0375)V170.CB as missing WARNING: atoms too close: (T0375)V97.CB and (T0375)V170.CB only 0.000 apart, marking (T0375)V170.CB as missing WARNING: atoms too close: (T0375)E169.CG and (T0375)V170.CG1 only 0.000 apart, marking (T0375)V170.CG1 as missing WARNING: atoms too close: (T0375)V168.CG1 and (T0375)V170.CG1 only 0.000 apart, marking (T0375)V170.CG1 as missing WARNING: atoms too close: (T0375)V166.CG1 and (T0375)V170.CG1 only 0.000 apart, marking (T0375)V170.CG1 as missing WARNING: atoms too close: (T0375)N100.CG and (T0375)V170.CG1 only 0.000 apart, marking (T0375)V170.CG1 as missing WARNING: atoms too close: (T0375)I99.CG1 and (T0375)V170.CG1 only 0.000 apart, marking (T0375)V170.CG1 as missing WARNING: atoms too close: (T0375)I98.CG1 and (T0375)V170.CG1 only 0.000 apart, marking (T0375)V170.CG1 as missing WARNING: atoms too close: (T0375)V97.CG1 and (T0375)V170.CG1 only 0.000 apart, marking (T0375)V170.CG1 as missing WARNING: atoms too close: (T0375)E169.O and (T0375)V170.O only 0.000 apart, marking (T0375)V170.O as missing WARNING: atoms too close: (T0375)V168.O and (T0375)V170.O only 0.000 apart, marking (T0375)V170.O as missing WARNING: atoms too close: (T0375)S167.O and (T0375)V170.O only 0.000 apart, marking (T0375)V170.O as missing WARNING: atoms too close: (T0375)V166.O and (T0375)V170.O only 0.000 apart, marking (T0375)V170.O as missing WARNING: atoms too close: (T0375)N100.O and (T0375)V170.O only 0.000 apart, marking (T0375)V170.O as missing WARNING: atoms too close: (T0375)I99.O and (T0375)V170.O only 0.000 apart, marking (T0375)V170.O as missing WARNING: atoms too close: (T0375)I98.O and (T0375)V170.O only 0.000 apart, marking (T0375)V170.O as missing WARNING: atoms too close: (T0375)V97.O and (T0375)V170.O only 0.000 apart, marking (T0375)V170.O as missing WARNING: atoms too close: (T0375)E169.C and (T0375)V170.C only 0.000 apart, marking (T0375)V170.C as missing WARNING: atoms too close: (T0375)V168.C and (T0375)V170.C only 0.000 apart, marking (T0375)V170.C as missing WARNING: atoms too close: (T0375)S167.C and (T0375)V170.C only 0.000 apart, marking (T0375)V170.C as missing WARNING: atoms too close: (T0375)V166.C and (T0375)V170.C only 0.000 apart, marking (T0375)V170.C as missing WARNING: atoms too close: (T0375)N100.C and (T0375)V170.C only 0.000 apart, marking (T0375)V170.C as missing WARNING: atoms too close: (T0375)I99.C and (T0375)V170.C only 0.000 apart, marking (T0375)V170.C as missing WARNING: atoms too close: (T0375)I98.C and (T0375)V170.C only 0.000 apart, marking (T0375)V170.C as missing WARNING: atoms too close: (T0375)V97.C and (T0375)V170.C only 0.000 apart, marking (T0375)V170.C as missing WARNING: atoms too close: (T0375)V170.N and (T0375)E171.N only 0.000 apart, marking (T0375)V170.N as missing WARNING: atoms too close: (T0375)E169.N and (T0375)E171.N only 0.000 apart, marking (T0375)E169.N as missing WARNING: atoms too close: (T0375)V168.N and (T0375)E171.N only 0.000 apart, marking (T0375)V168.N as missing WARNING: atoms too close: (T0375)S167.N and (T0375)E171.N only 0.000 apart, marking (T0375)S167.N as missing WARNING: atoms too close: (T0375)V166.N and (T0375)E171.N only 0.000 apart, marking (T0375)V166.N as missing WARNING: atoms too close: (T0375)N100.N and (T0375)E171.N only 0.000 apart, marking (T0375)N100.N as missing WARNING: atoms too close: (T0375)I99.N and (T0375)E171.N only 0.000 apart, marking (T0375)I99.N as missing WARNING: atoms too close: (T0375)I98.N and (T0375)E171.N only 0.000 apart, marking (T0375)I98.N as missing WARNING: atoms too close: (T0375)V97.N and (T0375)E171.N only 0.000 apart, marking (T0375)E171.N as missing WARNING: atoms too close: (T0375)V170.CA and (T0375)E171.CA only 0.000 apart, marking (T0375)E171.CA as missing WARNING: atoms too close: (T0375)E169.CA and (T0375)E171.CA only 0.000 apart, marking (T0375)E171.CA as missing WARNING: atoms too close: (T0375)V168.CA and (T0375)E171.CA only 0.000 apart, marking (T0375)E171.CA as missing WARNING: atoms too close: (T0375)S167.CA and (T0375)E171.CA only 0.000 apart, marking (T0375)E171.CA as missing WARNING: atoms too close: (T0375)V166.CA and (T0375)E171.CA only 0.000 apart, marking (T0375)E171.CA as missing WARNING: atoms too close: (T0375)N100.CA and (T0375)E171.CA only 0.000 apart, marking (T0375)E171.CA as missing WARNING: atoms too close: (T0375)I99.CA and (T0375)E171.CA only 0.000 apart, marking (T0375)E171.CA as missing WARNING: atoms too close: (T0375)I98.CA and (T0375)E171.CA only 0.000 apart, marking (T0375)E171.CA as missing WARNING: atoms too close: (T0375)V97.CA and (T0375)E171.CA only 0.000 apart, marking (T0375)E171.CA as missing WARNING: atoms too close: (T0375)V170.CB and (T0375)E171.CB only 0.000 apart, marking (T0375)E171.CB as missing WARNING: atoms too close: (T0375)E169.CB and (T0375)E171.CB only 0.000 apart, marking (T0375)E171.CB as missing WARNING: atoms too close: (T0375)V168.CB and (T0375)E171.CB only 0.000 apart, marking (T0375)E171.CB as missing WARNING: atoms too close: (T0375)S167.CB and (T0375)E171.CB only 0.000 apart, marking (T0375)E171.CB as missing WARNING: atoms too close: (T0375)V166.CB and (T0375)E171.CB only 0.000 apart, marking (T0375)E171.CB as missing WARNING: atoms too close: (T0375)N100.CB and (T0375)E171.CB only 0.000 apart, marking (T0375)E171.CB as missing WARNING: atoms too close: (T0375)I99.CB and (T0375)E171.CB only 0.000 apart, marking (T0375)E171.CB as missing WARNING: atoms too close: (T0375)I98.CB and (T0375)E171.CB only 0.000 apart, marking (T0375)E171.CB as missing WARNING: atoms too close: (T0375)V97.CB and (T0375)E171.CB only 0.000 apart, marking (T0375)E171.CB as missing WARNING: atoms too close: (T0375)V170.CG1 and (T0375)E171.CG only 0.000 apart, marking (T0375)E171.CG as missing WARNING: atoms too close: (T0375)E169.CG and (T0375)E171.CG only 0.000 apart, marking (T0375)E171.CG as missing WARNING: atoms too close: (T0375)V168.CG1 and (T0375)E171.CG only 0.000 apart, marking (T0375)E171.CG as missing WARNING: atoms too close: (T0375)V166.CG1 and (T0375)E171.CG only 0.000 apart, marking (T0375)E171.CG as missing WARNING: atoms too close: (T0375)N100.CG and (T0375)E171.CG only 0.000 apart, marking (T0375)E171.CG as missing WARNING: atoms too close: (T0375)I99.CG1 and (T0375)E171.CG only 0.000 apart, marking (T0375)E171.CG as missing WARNING: atoms too close: (T0375)I98.CG1 and (T0375)E171.CG only 0.000 apart, marking (T0375)E171.CG as missing WARNING: atoms too close: (T0375)V97.CG1 and (T0375)E171.CG only 0.000 apart, marking (T0375)E171.CG as missing WARNING: atoms too close: (T0375)V170.O and (T0375)E171.O only 0.000 apart, marking (T0375)E171.O as missing WARNING: atoms too close: (T0375)E169.O and (T0375)E171.O only 0.000 apart, marking (T0375)E171.O as missing WARNING: atoms too close: (T0375)V168.O and (T0375)E171.O only 0.000 apart, marking (T0375)E171.O as missing WARNING: atoms too close: (T0375)S167.O and (T0375)E171.O only 0.000 apart, marking (T0375)E171.O as missing WARNING: atoms too close: (T0375)V166.O and (T0375)E171.O only 0.000 apart, marking (T0375)E171.O as missing WARNING: atoms too close: (T0375)N100.O and (T0375)E171.O only 0.000 apart, marking (T0375)E171.O as missing WARNING: atoms too close: (T0375)I99.O and (T0375)E171.O only 0.000 apart, marking (T0375)E171.O as missing WARNING: atoms too close: (T0375)I98.O and (T0375)E171.O only 0.000 apart, marking (T0375)E171.O as missing WARNING: atoms too close: (T0375)V97.O and (T0375)E171.O only 0.000 apart, marking (T0375)E171.O as missing WARNING: atoms too close: (T0375)V170.C and (T0375)E171.C only 0.000 apart, marking (T0375)E171.C as missing WARNING: atoms too close: (T0375)E169.C and (T0375)E171.C only 0.000 apart, marking (T0375)E171.C as missing WARNING: atoms too close: (T0375)V168.C and (T0375)E171.C only 0.000 apart, marking (T0375)E171.C as missing WARNING: atoms too close: (T0375)S167.C and (T0375)E171.C only 0.000 apart, marking (T0375)E171.C as missing WARNING: atoms too close: (T0375)V166.C and (T0375)E171.C only 0.000 apart, marking (T0375)E171.C as missing WARNING: atoms too close: (T0375)N100.C and (T0375)E171.C only 0.000 apart, marking (T0375)E171.C as missing WARNING: atoms too close: (T0375)I99.C and (T0375)E171.C only 0.000 apart, marking (T0375)E171.C as missing WARNING: atoms too close: (T0375)I98.C and (T0375)E171.C only 0.000 apart, marking (T0375)E171.C as missing WARNING: atoms too close: (T0375)V97.C and (T0375)E171.C only 0.000 apart, marking (T0375)E171.C as missing WARNING: atoms too close: (T0375)E171.N and (T0375)K172.N only 0.000 apart, marking (T0375)E171.N as missing WARNING: atoms too close: (T0375)V170.N and (T0375)K172.N only 0.000 apart, marking (T0375)V170.N as missing WARNING: atoms too close: (T0375)E169.N and (T0375)K172.N only 0.000 apart, marking (T0375)E169.N as missing WARNING: atoms too close: (T0375)V168.N and (T0375)K172.N only 0.000 apart, marking (T0375)V168.N as missing WARNING: atoms too close: (T0375)S167.N and (T0375)K172.N only 0.000 apart, marking (T0375)S167.N as missing WARNING: atoms too close: (T0375)V166.N and (T0375)K172.N only 0.000 apart, marking (T0375)V166.N as missing WARNING: atoms too close: (T0375)N100.N and (T0375)K172.N only 0.000 apart, marking (T0375)N100.N as missing WARNING: atoms too close: (T0375)I99.N and (T0375)K172.N only 0.000 apart, marking (T0375)I99.N as missing WARNING: atoms too close: (T0375)I98.N and (T0375)K172.N only 0.000 apart, marking (T0375)I98.N as missing WARNING: atoms too close: (T0375)V97.N and (T0375)K172.N only 0.000 apart, marking (T0375)K172.N as missing WARNING: atoms too close: (T0375)E171.CA and (T0375)K172.CA only 0.000 apart, marking (T0375)K172.CA as missing WARNING: atoms too close: (T0375)V170.CA and (T0375)K172.CA only 0.000 apart, marking (T0375)K172.CA as missing WARNING: atoms too close: (T0375)E169.CA and (T0375)K172.CA only 0.000 apart, marking (T0375)K172.CA as missing WARNING: atoms too close: (T0375)V168.CA and (T0375)K172.CA only 0.000 apart, marking (T0375)K172.CA as missing WARNING: atoms too close: (T0375)S167.CA and (T0375)K172.CA only 0.000 apart, marking (T0375)K172.CA as missing WARNING: atoms too close: (T0375)V166.CA and (T0375)K172.CA only 0.000 apart, marking (T0375)K172.CA as missing WARNING: atoms too close: (T0375)N100.CA and (T0375)K172.CA only 0.000 apart, marking (T0375)K172.CA as missing WARNING: atoms too close: (T0375)I99.CA and (T0375)K172.CA only 0.000 apart, marking (T0375)K172.CA as missing WARNING: atoms too close: (T0375)I98.CA and (T0375)K172.CA only 0.000 apart, marking (T0375)K172.CA as missing WARNING: atoms too close: (T0375)V97.CA and (T0375)K172.CA only 0.000 apart, marking (T0375)K172.CA as missing WARNING: atoms too close: (T0375)E171.CB and (T0375)K172.CB only 0.000 apart, marking (T0375)K172.CB as missing WARNING: atoms too close: (T0375)V170.CB and (T0375)K172.CB only 0.000 apart, marking (T0375)K172.CB as missing WARNING: atoms too close: (T0375)E169.CB and (T0375)K172.CB only 0.000 apart, marking (T0375)K172.CB as missing WARNING: atoms too close: (T0375)V168.CB and (T0375)K172.CB only 0.000 apart, marking (T0375)K172.CB as missing WARNING: atoms too close: (T0375)S167.CB and (T0375)K172.CB only 0.000 apart, marking (T0375)K172.CB as missing WARNING: atoms too close: (T0375)V166.CB and (T0375)K172.CB only 0.000 apart, marking (T0375)K172.CB as missing WARNING: atoms too close: (T0375)N100.CB and (T0375)K172.CB only 0.000 apart, marking (T0375)K172.CB as missing WARNING: atoms too close: (T0375)I99.CB and (T0375)K172.CB only 0.000 apart, marking (T0375)K172.CB as missing WARNING: atoms too close: (T0375)I98.CB and (T0375)K172.CB only 0.000 apart, marking (T0375)K172.CB as missing WARNING: atoms too close: (T0375)V97.CB and (T0375)K172.CB only 0.000 apart, marking (T0375)K172.CB as missing WARNING: atoms too close: (T0375)E171.CG and (T0375)K172.CG only 0.000 apart, marking (T0375)K172.CG as missing WARNING: atoms too close: (T0375)V170.CG1 and (T0375)K172.CG only 0.000 apart, marking (T0375)K172.CG as missing WARNING: atoms too close: (T0375)E169.CG and (T0375)K172.CG only 0.000 apart, marking (T0375)K172.CG as missing WARNING: atoms too close: (T0375)V168.CG1 and (T0375)K172.CG only 0.000 apart, marking (T0375)K172.CG as missing WARNING: atoms too close: (T0375)V166.CG1 and (T0375)K172.CG only 0.000 apart, marking (T0375)K172.CG as missing WARNING: atoms too close: (T0375)N100.CG and (T0375)K172.CG only 0.000 apart, marking (T0375)K172.CG as missing WARNING: atoms too close: (T0375)I99.CG1 and (T0375)K172.CG only 0.000 apart, marking (T0375)K172.CG as missing WARNING: atoms too close: (T0375)I98.CG1 and (T0375)K172.CG only 0.000 apart, marking (T0375)K172.CG as missing WARNING: atoms too close: (T0375)V97.CG1 and (T0375)K172.CG only 0.000 apart, marking (T0375)K172.CG as missing WARNING: atoms too close: (T0375)E171.O and (T0375)K172.O only 0.000 apart, marking (T0375)K172.O as missing WARNING: atoms too close: (T0375)V170.O and (T0375)K172.O only 0.000 apart, marking (T0375)K172.O as missing WARNING: atoms too close: (T0375)E169.O and (T0375)K172.O only 0.000 apart, marking (T0375)K172.O as missing WARNING: atoms too close: (T0375)V168.O and (T0375)K172.O only 0.000 apart, marking (T0375)K172.O as missing WARNING: atoms too close: (T0375)S167.O and (T0375)K172.O only 0.000 apart, marking (T0375)K172.O as missing WARNING: atoms too close: (T0375)V166.O and (T0375)K172.O only 0.000 apart, marking (T0375)K172.O as missing WARNING: atoms too close: (T0375)N100.O and (T0375)K172.O only 0.000 apart, marking (T0375)K172.O as missing WARNING: atoms too close: (T0375)I99.O and (T0375)K172.O only 0.000 apart, marking (T0375)K172.O as missing WARNING: atoms too close: (T0375)I98.O and (T0375)K172.O only 0.000 apart, marking (T0375)K172.O as missing WARNING: atoms too close: (T0375)V97.O and (T0375)K172.O only 0.000 apart, marking (T0375)K172.O as missing WARNING: atoms too close: (T0375)E171.C and (T0375)K172.C only 0.000 apart, marking (T0375)K172.C as missing WARNING: atoms too close: (T0375)V170.C and (T0375)K172.C only 0.000 apart, marking (T0375)K172.C as missing WARNING: atoms too close: (T0375)E169.C and (T0375)K172.C only 0.000 apart, marking (T0375)K172.C as missing WARNING: atoms too close: (T0375)V168.C and (T0375)K172.C only 0.000 apart, marking (T0375)K172.C as missing WARNING: atoms too close: (T0375)S167.C and (T0375)K172.C only 0.000 apart, marking (T0375)K172.C as missing WARNING: atoms too close: (T0375)V166.C and (T0375)K172.C only 0.000 apart, marking (T0375)K172.C as missing WARNING: atoms too close: (T0375)N100.C and (T0375)K172.C only 0.000 apart, marking (T0375)K172.C as missing WARNING: atoms too close: (T0375)I99.C and (T0375)K172.C only 0.000 apart, marking (T0375)K172.C as missing WARNING: atoms too close: (T0375)I98.C and (T0375)K172.C only 0.000 apart, marking (T0375)K172.C as missing WARNING: atoms too close: (T0375)V97.C and (T0375)K172.C only 0.000 apart, marking (T0375)K172.C as missing WARNING: atoms too close: (T0375)K172.N and (T0375)P173.N only 0.000 apart, marking (T0375)K172.N as missing WARNING: atoms too close: (T0375)E171.N and (T0375)P173.N only 0.000 apart, marking (T0375)E171.N as missing WARNING: atoms too close: (T0375)V170.N and (T0375)P173.N only 0.000 apart, marking (T0375)V170.N as missing WARNING: atoms too close: (T0375)E169.N and (T0375)P173.N only 0.000 apart, marking (T0375)E169.N as missing WARNING: atoms too close: (T0375)V168.N and (T0375)P173.N only 0.000 apart, marking (T0375)V168.N as missing WARNING: atoms too close: (T0375)S167.N and (T0375)P173.N only 0.000 apart, marking (T0375)S167.N as missing WARNING: atoms too close: (T0375)V166.N and (T0375)P173.N only 0.000 apart, marking (T0375)V166.N as missing WARNING: atoms too close: (T0375)N100.N and (T0375)P173.N only 0.000 apart, marking (T0375)N100.N as missing WARNING: atoms too close: (T0375)I99.N and (T0375)P173.N only 0.000 apart, marking (T0375)I99.N as missing WARNING: atoms too close: (T0375)I98.N and (T0375)P173.N only 0.000 apart, marking (T0375)I98.N as missing WARNING: atoms too close: (T0375)V97.N and (T0375)P173.N only 0.000 apart, marking (T0375)P173.N as missing WARNING: atoms too close: (T0375)K172.CA and (T0375)P173.CA only 0.000 apart, marking (T0375)P173.CA as missing WARNING: atoms too close: (T0375)E171.CA and (T0375)P173.CA only 0.000 apart, marking (T0375)P173.CA as missing WARNING: atoms too close: (T0375)V170.CA and (T0375)P173.CA only 0.000 apart, marking (T0375)P173.CA as missing WARNING: atoms too close: (T0375)E169.CA and (T0375)P173.CA only 0.000 apart, marking (T0375)P173.CA as missing WARNING: atoms too close: (T0375)V168.CA and (T0375)P173.CA only 0.000 apart, marking (T0375)P173.CA as missing WARNING: atoms too close: (T0375)S167.CA and (T0375)P173.CA only 0.000 apart, marking (T0375)P173.CA as missing WARNING: atoms too close: (T0375)V166.CA and (T0375)P173.CA only 0.000 apart, marking (T0375)P173.CA as missing WARNING: atoms too close: (T0375)N100.CA and (T0375)P173.CA only 0.000 apart, marking (T0375)P173.CA as missing WARNING: atoms too close: (T0375)I99.CA and (T0375)P173.CA only 0.000 apart, marking (T0375)P173.CA as missing WARNING: atoms too close: (T0375)I98.CA and (T0375)P173.CA only 0.000 apart, marking (T0375)P173.CA as missing WARNING: atoms too close: (T0375)V97.CA and (T0375)P173.CA only 0.000 apart, marking (T0375)P173.CA as missing WARNING: atoms too close: (T0375)K172.CB and (T0375)P173.CB only 0.000 apart, marking (T0375)P173.CB as missing WARNING: atoms too close: (T0375)E171.CB and (T0375)P173.CB only 0.000 apart, marking (T0375)P173.CB as missing WARNING: atoms too close: (T0375)V170.CB and (T0375)P173.CB only 0.000 apart, marking (T0375)P173.CB as missing WARNING: atoms too close: (T0375)E169.CB and (T0375)P173.CB only 0.000 apart, marking (T0375)P173.CB as missing WARNING: atoms too close: (T0375)V168.CB and (T0375)P173.CB only 0.000 apart, marking (T0375)P173.CB as missing WARNING: atoms too close: (T0375)S167.CB and (T0375)P173.CB only 0.000 apart, marking (T0375)P173.CB as missing WARNING: atoms too close: (T0375)V166.CB and (T0375)P173.CB only 0.000 apart, marking (T0375)P173.CB as missing WARNING: atoms too close: (T0375)N100.CB and (T0375)P173.CB only 0.000 apart, marking (T0375)P173.CB as missing WARNING: atoms too close: (T0375)I99.CB and (T0375)P173.CB only 0.000 apart, marking (T0375)P173.CB as missing WARNING: atoms too close: (T0375)I98.CB and (T0375)P173.CB only 0.000 apart, marking (T0375)P173.CB as missing WARNING: atoms too close: (T0375)V97.CB and (T0375)P173.CB only 0.000 apart, marking (T0375)P173.CB as missing WARNING: atoms too close: (T0375)K172.O and (T0375)P173.O only 0.000 apart, marking (T0375)P173.O as missing WARNING: atoms too close: (T0375)E171.O and (T0375)P173.O only 0.000 apart, marking (T0375)P173.O as missing WARNING: atoms too close: (T0375)V170.O and (T0375)P173.O only 0.000 apart, marking (T0375)P173.O as missing WARNING: atoms too close: (T0375)E169.O and (T0375)P173.O only 0.000 apart, marking (T0375)P173.O as missing WARNING: atoms too close: (T0375)V168.O and (T0375)P173.O only 0.000 apart, marking (T0375)P173.O as missing WARNING: atoms too close: (T0375)S167.O and (T0375)P173.O only 0.000 apart, marking (T0375)P173.O as missing WARNING: atoms too close: (T0375)V166.O and (T0375)P173.O only 0.000 apart, marking (T0375)P173.O as missing WARNING: atoms too close: (T0375)N100.O and (T0375)P173.O only 0.000 apart, marking (T0375)P173.O as missing WARNING: atoms too close: (T0375)I99.O and (T0375)P173.O only 0.000 apart, marking (T0375)P173.O as missing WARNING: atoms too close: (T0375)I98.O and (T0375)P173.O only 0.000 apart, marking (T0375)P173.O as missing WARNING: atoms too close: (T0375)V97.O and (T0375)P173.O only 0.000 apart, marking (T0375)P173.O as missing WARNING: atoms too close: (T0375)K172.C and (T0375)P173.C only 0.000 apart, marking (T0375)P173.C as missing WARNING: atoms too close: (T0375)E171.C and (T0375)P173.C only 0.000 apart, marking (T0375)P173.C as missing WARNING: atoms too close: (T0375)V170.C and (T0375)P173.C only 0.000 apart, marking (T0375)P173.C as missing WARNING: atoms too close: (T0375)E169.C and (T0375)P173.C only 0.000 apart, marking (T0375)P173.C as missing WARNING: atoms too close: (T0375)V168.C and (T0375)P173.C only 0.000 apart, marking (T0375)P173.C as missing WARNING: atoms too close: (T0375)S167.C and (T0375)P173.C only 0.000 apart, marking (T0375)P173.C as missing WARNING: atoms too close: (T0375)V166.C and (T0375)P173.C only 0.000 apart, marking (T0375)P173.C as missing WARNING: atoms too close: (T0375)N100.C and (T0375)P173.C only 0.000 apart, marking (T0375)P173.C as missing WARNING: atoms too close: (T0375)I99.C and (T0375)P173.C only 0.000 apart, marking (T0375)P173.C as missing WARNING: atoms too close: (T0375)I98.C and (T0375)P173.C only 0.000 apart, marking (T0375)P173.C as missing WARNING: atoms too close: (T0375)V97.C and (T0375)P173.C only 0.000 apart, marking (T0375)P173.C as missing WARNING: atoms too close: (T0375)P173.N and (T0375)R174.N only 0.000 apart, marking (T0375)P173.N as missing WARNING: atoms too close: (T0375)K172.N and (T0375)R174.N only 0.000 apart, marking (T0375)K172.N as missing WARNING: atoms too close: (T0375)E171.N and (T0375)R174.N only 0.000 apart, marking (T0375)E171.N as missing WARNING: atoms too close: (T0375)V170.N and (T0375)R174.N only 0.000 apart, marking (T0375)V170.N as missing WARNING: atoms too close: (T0375)E169.N and (T0375)R174.N only 0.000 apart, marking (T0375)E169.N as missing WARNING: atoms too close: (T0375)V168.N and (T0375)R174.N only 0.000 apart, marking (T0375)V168.N as missing WARNING: atoms too close: (T0375)S167.N and (T0375)R174.N only 0.000 apart, marking (T0375)S167.N as missing WARNING: atoms too close: (T0375)V166.N and (T0375)R174.N only 0.000 apart, marking (T0375)V166.N as missing WARNING: atoms too close: (T0375)N100.N and (T0375)R174.N only 0.000 apart, marking (T0375)N100.N as missing WARNING: atoms too close: (T0375)I99.N and (T0375)R174.N only 0.000 apart, marking (T0375)I99.N as missing WARNING: atoms too close: (T0375)I98.N and (T0375)R174.N only 0.000 apart, marking (T0375)I98.N as missing WARNING: atoms too close: (T0375)V97.N and (T0375)R174.N only 0.000 apart, marking (T0375)R174.N as missing WARNING: atoms too close: (T0375)P173.CA and (T0375)R174.CA only 0.000 apart, marking (T0375)R174.CA as missing WARNING: atoms too close: (T0375)K172.CA and (T0375)R174.CA only 0.000 apart, marking (T0375)R174.CA as missing WARNING: atoms too close: (T0375)E171.CA and (T0375)R174.CA only 0.000 apart, marking (T0375)R174.CA as missing WARNING: atoms too close: (T0375)V170.CA and (T0375)R174.CA only 0.000 apart, marking (T0375)R174.CA as missing WARNING: atoms too close: (T0375)E169.CA and (T0375)R174.CA only 0.000 apart, marking (T0375)R174.CA as missing WARNING: atoms too close: (T0375)V168.CA and (T0375)R174.CA only 0.000 apart, marking (T0375)R174.CA as missing WARNING: atoms too close: (T0375)S167.CA and (T0375)R174.CA only 0.000 apart, marking (T0375)R174.CA as missing WARNING: atoms too close: (T0375)V166.CA and (T0375)R174.CA only 0.000 apart, marking (T0375)R174.CA as missing WARNING: atoms too close: (T0375)N100.CA and (T0375)R174.CA only 0.000 apart, marking (T0375)R174.CA as missing WARNING: atoms too close: (T0375)I99.CA and (T0375)R174.CA only 0.000 apart, marking (T0375)R174.CA as missing WARNING: atoms too close: (T0375)I98.CA and (T0375)R174.CA only 0.000 apart, marking (T0375)R174.CA as missing WARNING: atoms too close: (T0375)V97.CA and (T0375)R174.CA only 0.000 apart, marking (T0375)R174.CA as missing WARNING: atoms too close: (T0375)P173.CB and (T0375)R174.CB only 0.000 apart, marking (T0375)R174.CB as missing WARNING: atoms too close: (T0375)K172.CB and (T0375)R174.CB only 0.000 apart, marking (T0375)R174.CB as missing WARNING: atoms too close: (T0375)E171.CB and (T0375)R174.CB only 0.000 apart, marking (T0375)R174.CB as missing WARNING: atoms too close: (T0375)V170.CB and (T0375)R174.CB only 0.000 apart, marking (T0375)R174.CB as missing WARNING: atoms too close: (T0375)E169.CB and (T0375)R174.CB only 0.000 apart, marking (T0375)R174.CB as missing WARNING: atoms too close: (T0375)V168.CB and (T0375)R174.CB only 0.000 apart, marking (T0375)R174.CB as missing WARNING: atoms too close: (T0375)S167.CB and (T0375)R174.CB only 0.000 apart, marking (T0375)R174.CB as missing WARNING: atoms too close: (T0375)V166.CB and (T0375)R174.CB only 0.000 apart, marking (T0375)R174.CB as missing WARNING: atoms too close: (T0375)N100.CB and (T0375)R174.CB only 0.000 apart, marking (T0375)R174.CB as missing WARNING: atoms too close: (T0375)I99.CB and (T0375)R174.CB only 0.000 apart, marking (T0375)R174.CB as missing WARNING: atoms too close: (T0375)I98.CB and (T0375)R174.CB only 0.000 apart, marking (T0375)R174.CB as missing WARNING: atoms too close: (T0375)V97.CB and (T0375)R174.CB only 0.000 apart, marking (T0375)R174.CB as missing WARNING: atoms too close: (T0375)K172.CG and (T0375)R174.CG only 0.000 apart, marking (T0375)R174.CG as missing WARNING: atoms too close: (T0375)E171.CG and (T0375)R174.CG only 0.000 apart, marking (T0375)R174.CG as missing WARNING: atoms too close: (T0375)V170.CG1 and (T0375)R174.CG only 0.000 apart, marking (T0375)R174.CG as missing WARNING: atoms too close: (T0375)E169.CG and (T0375)R174.CG only 0.000 apart, marking (T0375)R174.CG as missing WARNING: atoms too close: (T0375)V168.CG1 and (T0375)R174.CG only 0.000 apart, marking (T0375)R174.CG as missing WARNING: atoms too close: (T0375)V166.CG1 and (T0375)R174.CG only 0.000 apart, marking (T0375)R174.CG as missing WARNING: atoms too close: (T0375)N100.CG and (T0375)R174.CG only 0.000 apart, marking (T0375)R174.CG as missing WARNING: atoms too close: (T0375)I99.CG1 and (T0375)R174.CG only 0.000 apart, marking (T0375)R174.CG as missing WARNING: atoms too close: (T0375)I98.CG1 and (T0375)R174.CG only 0.000 apart, marking (T0375)R174.CG as missing WARNING: atoms too close: (T0375)V97.CG1 and (T0375)R174.CG only 0.000 apart, marking (T0375)R174.CG as missing WARNING: atoms too close: (T0375)P173.O and (T0375)R174.O only 0.000 apart, marking (T0375)R174.O as missing WARNING: atoms too close: (T0375)K172.O and (T0375)R174.O only 0.000 apart, marking (T0375)R174.O as missing WARNING: atoms too close: (T0375)E171.O and (T0375)R174.O only 0.000 apart, marking (T0375)R174.O as missing WARNING: atoms too close: (T0375)V170.O and (T0375)R174.O only 0.000 apart, marking (T0375)R174.O as missing WARNING: atoms too close: (T0375)E169.O and (T0375)R174.O only 0.000 apart, marking (T0375)R174.O as missing WARNING: atoms too close: (T0375)V168.O and (T0375)R174.O only 0.000 apart, marking (T0375)R174.O as missing WARNING: atoms too close: (T0375)S167.O and (T0375)R174.O only 0.000 apart, marking (T0375)R174.O as missing WARNING: atoms too close: (T0375)V166.O and (T0375)R174.O only 0.000 apart, marking (T0375)R174.O as missing WARNING: atoms too close: (T0375)N100.O and (T0375)R174.O only 0.000 apart, marking (T0375)R174.O as missing WARNING: atoms too close: (T0375)I99.O and (T0375)R174.O only 0.000 apart, marking (T0375)R174.O as missing WARNING: atoms too close: (T0375)I98.O and (T0375)R174.O only 0.000 apart, marking (T0375)R174.O as missing WARNING: atoms too close: (T0375)V97.O and (T0375)R174.O only 0.000 apart, marking (T0375)R174.O as missing WARNING: atoms too close: (T0375)P173.C and (T0375)R174.C only 0.000 apart, marking (T0375)R174.C as missing WARNING: atoms too close: (T0375)K172.C and (T0375)R174.C only 0.000 apart, marking (T0375)R174.C as missing WARNING: atoms too close: (T0375)E171.C and (T0375)R174.C only 0.000 apart, marking (T0375)R174.C as missing WARNING: atoms too close: (T0375)V170.C and (T0375)R174.C only 0.000 apart, marking (T0375)R174.C as missing WARNING: atoms too close: (T0375)E169.C and (T0375)R174.C only 0.000 apart, marking (T0375)R174.C as missing WARNING: atoms too close: (T0375)V168.C and (T0375)R174.C only 0.000 apart, marking (T0375)R174.C as missing WARNING: atoms too close: (T0375)S167.C and (T0375)R174.C only 0.000 apart, marking (T0375)R174.C as missing WARNING: atoms too close: (T0375)V166.C and (T0375)R174.C only 0.000 apart, marking (T0375)R174.C as missing WARNING: atoms too close: (T0375)N100.C and (T0375)R174.C only 0.000 apart, marking (T0375)R174.C as missing WARNING: atoms too close: (T0375)I99.C and (T0375)R174.C only 0.000 apart, marking (T0375)R174.C as missing WARNING: atoms too close: (T0375)I98.C and (T0375)R174.C only 0.000 apart, marking (T0375)R174.C as missing WARNING: atoms too close: (T0375)V97.C and (T0375)R174.C only 0.000 apart, marking (T0375)R174.C as missing WARNING: atoms too close: (T0375)R174.N and (T0375)L197.N only 0.000 apart, marking (T0375)R174.N as missing WARNING: atoms too close: (T0375)P173.N and (T0375)L197.N only 0.000 apart, marking (T0375)P173.N as missing WARNING: atoms too close: (T0375)K172.N and (T0375)L197.N only 0.000 apart, marking (T0375)K172.N as missing WARNING: atoms too close: (T0375)E171.N and (T0375)L197.N only 0.000 apart, marking (T0375)E171.N as missing WARNING: atoms too close: (T0375)V170.N and (T0375)L197.N only 0.000 apart, marking (T0375)V170.N as missing WARNING: atoms too close: (T0375)E169.N and (T0375)L197.N only 0.000 apart, marking (T0375)E169.N as missing WARNING: atoms too close: (T0375)V168.N and (T0375)L197.N only 0.000 apart, marking (T0375)V168.N as missing WARNING: atoms too close: (T0375)S167.N and (T0375)L197.N only 0.000 apart, marking (T0375)S167.N as missing WARNING: atoms too close: (T0375)V166.N and (T0375)L197.N only 0.000 apart, marking (T0375)V166.N as missing WARNING: atoms too close: (T0375)N100.N and (T0375)L197.N only 0.000 apart, marking (T0375)N100.N as missing WARNING: atoms too close: (T0375)I99.N and (T0375)L197.N only 0.000 apart, marking (T0375)I99.N as missing WARNING: atoms too close: (T0375)I98.N and (T0375)L197.N only 0.000 apart, marking (T0375)I98.N as missing WARNING: atoms too close: (T0375)V97.N and (T0375)L197.N only 0.000 apart, marking (T0375)L197.N as missing WARNING: atoms too close: (T0375)R174.CA and (T0375)L197.CA only 0.000 apart, marking (T0375)L197.CA as missing WARNING: atoms too close: (T0375)P173.CA and (T0375)L197.CA only 0.000 apart, marking (T0375)L197.CA as missing WARNING: atoms too close: (T0375)K172.CA and (T0375)L197.CA only 0.000 apart, marking (T0375)L197.CA as missing WARNING: atoms too close: (T0375)E171.CA and (T0375)L197.CA only 0.000 apart, marking (T0375)L197.CA as missing WARNING: atoms too close: (T0375)V170.CA and (T0375)L197.CA only 0.000 apart, marking (T0375)L197.CA as missing WARNING: atoms too close: (T0375)E169.CA and (T0375)L197.CA only 0.000 apart, marking (T0375)L197.CA as missing WARNING: atoms too close: (T0375)V168.CA and (T0375)L197.CA only 0.000 apart, marking (T0375)L197.CA as missing WARNING: atoms too close: (T0375)S167.CA and (T0375)L197.CA only 0.000 apart, marking (T0375)L197.CA as missing WARNING: atoms too close: (T0375)V166.CA and (T0375)L197.CA only 0.000 apart, marking (T0375)L197.CA as missing WARNING: atoms too close: (T0375)N100.CA and (T0375)L197.CA only 0.000 apart, marking (T0375)L197.CA as missing WARNING: atoms too close: (T0375)I99.CA and (T0375)L197.CA only 0.000 apart, marking (T0375)L197.CA as missing WARNING: atoms too close: (T0375)I98.CA and (T0375)L197.CA only 0.000 apart, marking (T0375)L197.CA as missing WARNING: atoms too close: (T0375)V97.CA and (T0375)L197.CA only 0.000 apart, marking (T0375)L197.CA as missing WARNING: atoms too close: (T0375)R174.CB and (T0375)L197.CB only 0.000 apart, marking (T0375)L197.CB as missing WARNING: atoms too close: (T0375)P173.CB and (T0375)L197.CB only 0.000 apart, marking (T0375)L197.CB as missing WARNING: atoms too close: (T0375)K172.CB and (T0375)L197.CB only 0.000 apart, marking (T0375)L197.CB as missing WARNING: atoms too close: (T0375)E171.CB and (T0375)L197.CB only 0.000 apart, marking (T0375)L197.CB as missing WARNING: atoms too close: (T0375)V170.CB and (T0375)L197.CB only 0.000 apart, marking (T0375)L197.CB as missing WARNING: atoms too close: (T0375)E169.CB and (T0375)L197.CB only 0.000 apart, marking (T0375)L197.CB as missing WARNING: atoms too close: (T0375)V168.CB and (T0375)L197.CB only 0.000 apart, marking (T0375)L197.CB as missing WARNING: atoms too close: (T0375)S167.CB and (T0375)L197.CB only 0.000 apart, marking (T0375)L197.CB as missing WARNING: atoms too close: (T0375)V166.CB and (T0375)L197.CB only 0.000 apart, marking (T0375)L197.CB as missing WARNING: atoms too close: (T0375)N100.CB and (T0375)L197.CB only 0.000 apart, marking (T0375)L197.CB as missing WARNING: atoms too close: (T0375)I99.CB and (T0375)L197.CB only 0.000 apart, marking (T0375)L197.CB as missing WARNING: atoms too close: (T0375)I98.CB and (T0375)L197.CB only 0.000 apart, marking (T0375)L197.CB as missing WARNING: atoms too close: (T0375)V97.CB and (T0375)L197.CB only 0.000 apart, marking (T0375)L197.CB as missing WARNING: atoms too close: (T0375)R174.CG and (T0375)L197.CG only 0.000 apart, marking (T0375)L197.CG as missing WARNING: atoms too close: (T0375)K172.CG and (T0375)L197.CG only 0.000 apart, marking (T0375)L197.CG as missing WARNING: atoms too close: (T0375)E171.CG and (T0375)L197.CG only 0.000 apart, marking (T0375)L197.CG as missing WARNING: atoms too close: (T0375)V170.CG1 and (T0375)L197.CG only 0.000 apart, marking (T0375)L197.CG as missing WARNING: atoms too close: (T0375)E169.CG and (T0375)L197.CG only 0.000 apart, marking (T0375)L197.CG as missing WARNING: atoms too close: (T0375)V168.CG1 and (T0375)L197.CG only 0.000 apart, marking (T0375)L197.CG as missing WARNING: atoms too close: (T0375)V166.CG1 and (T0375)L197.CG only 0.000 apart, marking (T0375)L197.CG as missing WARNING: atoms too close: (T0375)N100.CG and (T0375)L197.CG only 0.000 apart, marking (T0375)L197.CG as missing WARNING: atoms too close: (T0375)I99.CG1 and (T0375)L197.CG only 0.000 apart, marking (T0375)L197.CG as missing WARNING: atoms too close: (T0375)I98.CG1 and (T0375)L197.CG only 0.000 apart, marking (T0375)L197.CG as missing WARNING: atoms too close: (T0375)V97.CG1 and (T0375)L197.CG only 0.000 apart, marking (T0375)L197.CG as missing WARNING: atoms too close: (T0375)R174.O and (T0375)L197.O only 0.000 apart, marking (T0375)L197.O as missing WARNING: atoms too close: (T0375)P173.O and (T0375)L197.O only 0.000 apart, marking (T0375)L197.O as missing WARNING: atoms too close: (T0375)K172.O and (T0375)L197.O only 0.000 apart, marking (T0375)L197.O as missing WARNING: atoms too close: (T0375)E171.O and (T0375)L197.O only 0.000 apart, marking (T0375)L197.O as missing WARNING: atoms too close: (T0375)V170.O and (T0375)L197.O only 0.000 apart, marking (T0375)L197.O as missing WARNING: atoms too close: (T0375)E169.O and (T0375)L197.O only 0.000 apart, marking (T0375)L197.O as missing WARNING: atoms too close: (T0375)V168.O and (T0375)L197.O only 0.000 apart, marking (T0375)L197.O as missing WARNING: atoms too close: (T0375)S167.O and (T0375)L197.O only 0.000 apart, marking (T0375)L197.O as missing WARNING: atoms too close: (T0375)V166.O and (T0375)L197.O only 0.000 apart, marking (T0375)L197.O as missing WARNING: atoms too close: (T0375)N100.O and (T0375)L197.O only 0.000 apart, marking (T0375)L197.O as missing WARNING: atoms too close: (T0375)I99.O and (T0375)L197.O only 0.000 apart, marking (T0375)L197.O as missing WARNING: atoms too close: (T0375)I98.O and (T0375)L197.O only 0.000 apart, marking (T0375)L197.O as missing WARNING: atoms too close: (T0375)V97.O and (T0375)L197.O only 0.000 apart, marking (T0375)L197.O as missing WARNING: atoms too close: (T0375)R174.C and (T0375)L197.C only 0.000 apart, marking (T0375)L197.C as missing WARNING: atoms too close: (T0375)P173.C and (T0375)L197.C only 0.000 apart, marking (T0375)L197.C as missing WARNING: atoms too close: (T0375)K172.C and (T0375)L197.C only 0.000 apart, marking (T0375)L197.C as missing WARNING: atoms too close: (T0375)E171.C and (T0375)L197.C only 0.000 apart, marking (T0375)L197.C as missing WARNING: atoms too close: (T0375)V170.C and (T0375)L197.C only 0.000 apart, marking (T0375)L197.C as missing WARNING: atoms too close: (T0375)E169.C and (T0375)L197.C only 0.000 apart, marking (T0375)L197.C as missing WARNING: atoms too close: (T0375)V168.C and (T0375)L197.C only 0.000 apart, marking (T0375)L197.C as missing WARNING: atoms too close: (T0375)S167.C and (T0375)L197.C only 0.000 apart, marking (T0375)L197.C as missing WARNING: atoms too close: (T0375)V166.C and (T0375)L197.C only 0.000 apart, marking (T0375)L197.C as missing WARNING: atoms too close: (T0375)N100.C and (T0375)L197.C only 0.000 apart, marking (T0375)L197.C as missing WARNING: atoms too close: (T0375)I99.C and (T0375)L197.C only 0.000 apart, marking (T0375)L197.C as missing WARNING: atoms too close: (T0375)I98.C and (T0375)L197.C only 0.000 apart, marking (T0375)L197.C as missing WARNING: atoms too close: (T0375)V97.C and (T0375)L197.C only 0.000 apart, marking (T0375)L197.C as missing WARNING: atoms too close: (T0375)L197.N and (T0375)G198.N only 0.000 apart, marking (T0375)L197.N as missing WARNING: atoms too close: (T0375)R174.N and (T0375)G198.N only 0.000 apart, marking (T0375)R174.N as missing WARNING: atoms too close: (T0375)P173.N and (T0375)G198.N only 0.000 apart, marking (T0375)P173.N as missing WARNING: atoms too close: (T0375)K172.N and (T0375)G198.N only 0.000 apart, marking (T0375)K172.N as missing WARNING: atoms too close: (T0375)E171.N and (T0375)G198.N only 0.000 apart, marking (T0375)E171.N as missing WARNING: atoms too close: (T0375)V170.N and (T0375)G198.N only 0.000 apart, marking (T0375)V170.N as missing WARNING: atoms too close: (T0375)E169.N and (T0375)G198.N only 0.000 apart, marking (T0375)E169.N as missing WARNING: atoms too close: (T0375)V168.N and (T0375)G198.N only 0.000 apart, marking (T0375)V168.N as missing WARNING: atoms too close: (T0375)S167.N and (T0375)G198.N only 0.000 apart, marking (T0375)S167.N as missing WARNING: atoms too close: (T0375)V166.N and (T0375)G198.N only 0.000 apart, marking (T0375)V166.N as missing WARNING: atoms too close: (T0375)N100.N and (T0375)G198.N only 0.000 apart, marking (T0375)N100.N as missing WARNING: atoms too close: (T0375)I99.N and (T0375)G198.N only 0.000 apart, marking (T0375)I99.N as missing WARNING: atoms too close: (T0375)I98.N and (T0375)G198.N only 0.000 apart, marking (T0375)I98.N as missing WARNING: atoms too close: (T0375)V97.N and (T0375)G198.N only 0.000 apart, marking (T0375)G198.N as missing WARNING: atoms too close: (T0375)L197.CA and (T0375)G198.CA only 0.000 apart, marking (T0375)G198.CA as missing WARNING: atoms too close: (T0375)R174.CA and (T0375)G198.CA only 0.000 apart, marking (T0375)G198.CA as missing WARNING: atoms too close: (T0375)P173.CA and (T0375)G198.CA only 0.000 apart, marking (T0375)G198.CA as missing WARNING: atoms too close: (T0375)K172.CA and (T0375)G198.CA only 0.000 apart, marking (T0375)G198.CA as missing WARNING: atoms too close: (T0375)E171.CA and (T0375)G198.CA only 0.000 apart, marking (T0375)G198.CA as missing WARNING: atoms too close: (T0375)V170.CA and (T0375)G198.CA only 0.000 apart, marking (T0375)G198.CA as missing WARNING: atoms too close: (T0375)E169.CA and (T0375)G198.CA only 0.000 apart, marking (T0375)G198.CA as missing WARNING: atoms too close: (T0375)V168.CA and (T0375)G198.CA only 0.000 apart, marking (T0375)G198.CA as missing WARNING: atoms too close: (T0375)S167.CA and (T0375)G198.CA only 0.000 apart, marking (T0375)G198.CA as missing WARNING: atoms too close: (T0375)V166.CA and (T0375)G198.CA only 0.000 apart, marking (T0375)G198.CA as missing WARNING: atoms too close: (T0375)N100.CA and (T0375)G198.CA only 0.000 apart, marking (T0375)G198.CA as missing WARNING: atoms too close: (T0375)I99.CA and (T0375)G198.CA only 0.000 apart, marking (T0375)G198.CA as missing WARNING: atoms too close: (T0375)I98.CA and (T0375)G198.CA only 0.000 apart, marking (T0375)G198.CA as missing WARNING: atoms too close: (T0375)V97.CA and (T0375)G198.CA only 0.000 apart, marking (T0375)G198.CA as missing WARNING: atoms too close: (T0375)L197.O and (T0375)G198.O only 0.000 apart, marking (T0375)G198.O as missing WARNING: atoms too close: (T0375)R174.O and (T0375)G198.O only 0.000 apart, marking (T0375)G198.O as missing WARNING: atoms too close: (T0375)P173.O and (T0375)G198.O only 0.000 apart, marking (T0375)G198.O as missing WARNING: atoms too close: (T0375)K172.O and (T0375)G198.O only 0.000 apart, marking (T0375)G198.O as missing WARNING: atoms too close: (T0375)E171.O and (T0375)G198.O only 0.000 apart, marking (T0375)G198.O as missing WARNING: atoms too close: (T0375)V170.O and (T0375)G198.O only 0.000 apart, marking (T0375)G198.O as missing WARNING: atoms too close: (T0375)E169.O and (T0375)G198.O only 0.000 apart, marking (T0375)G198.O as missing WARNING: atoms too close: (T0375)V168.O and (T0375)G198.O only 0.000 apart, marking (T0375)G198.O as missing WARNING: atoms too close: (T0375)S167.O and (T0375)G198.O only 0.000 apart, marking (T0375)G198.O as missing WARNING: atoms too close: (T0375)V166.O and (T0375)G198.O only 0.000 apart, marking (T0375)G198.O as missing WARNING: atoms too close: (T0375)N100.O and (T0375)G198.O only 0.000 apart, marking (T0375)G198.O as missing WARNING: atoms too close: (T0375)I99.O and (T0375)G198.O only 0.000 apart, marking (T0375)G198.O as missing WARNING: atoms too close: (T0375)I98.O and (T0375)G198.O only 0.000 apart, marking (T0375)G198.O as missing WARNING: atoms too close: (T0375)V97.O and (T0375)G198.O only 0.000 apart, marking (T0375)G198.O as missing WARNING: atoms too close: (T0375)L197.C and (T0375)G198.C only 0.000 apart, marking (T0375)G198.C as missing WARNING: atoms too close: (T0375)R174.C and (T0375)G198.C only 0.000 apart, marking (T0375)G198.C as missing WARNING: atoms too close: (T0375)P173.C and (T0375)G198.C only 0.000 apart, marking (T0375)G198.C as missing WARNING: atoms too close: (T0375)K172.C and (T0375)G198.C only 0.000 apart, marking (T0375)G198.C as missing WARNING: atoms too close: (T0375)E171.C and (T0375)G198.C only 0.000 apart, marking (T0375)G198.C as missing WARNING: atoms too close: (T0375)V170.C and (T0375)G198.C only 0.000 apart, marking (T0375)G198.C as missing WARNING: atoms too close: (T0375)E169.C and (T0375)G198.C only 0.000 apart, marking (T0375)G198.C as missing WARNING: atoms too close: (T0375)V168.C and (T0375)G198.C only 0.000 apart, marking (T0375)G198.C as missing WARNING: atoms too close: (T0375)S167.C and (T0375)G198.C only 0.000 apart, marking (T0375)G198.C as missing WARNING: atoms too close: (T0375)V166.C and (T0375)G198.C only 0.000 apart, marking (T0375)G198.C as missing WARNING: atoms too close: (T0375)N100.C and (T0375)G198.C only 0.000 apart, marking (T0375)G198.C as missing WARNING: atoms too close: (T0375)I99.C and (T0375)G198.C only 0.000 apart, marking (T0375)G198.C as missing WARNING: atoms too close: (T0375)I98.C and (T0375)G198.C only 0.000 apart, marking (T0375)G198.C as missing WARNING: atoms too close: (T0375)V97.C and (T0375)G198.C only 0.000 apart, marking (T0375)G198.C as missing WARNING: atoms too close: (T0375)G198.N and (T0375)V220.N only 0.000 apart, marking (T0375)G198.N as missing WARNING: atoms too close: (T0375)L197.N and (T0375)V220.N only 0.000 apart, marking (T0375)L197.N as missing WARNING: atoms too close: (T0375)R174.N and (T0375)V220.N only 0.000 apart, marking (T0375)R174.N as missing WARNING: atoms too close: (T0375)P173.N and (T0375)V220.N only 0.000 apart, marking (T0375)P173.N as missing WARNING: atoms too close: (T0375)K172.N and (T0375)V220.N only 0.000 apart, marking (T0375)K172.N as missing WARNING: atoms too close: (T0375)E171.N and (T0375)V220.N only 0.000 apart, marking (T0375)E171.N as missing WARNING: atoms too close: (T0375)V170.N and (T0375)V220.N only 0.000 apart, marking (T0375)V170.N as missing WARNING: atoms too close: (T0375)E169.N and (T0375)V220.N only 0.000 apart, marking (T0375)E169.N as missing WARNING: atoms too close: (T0375)V168.N and (T0375)V220.N only 0.000 apart, marking (T0375)V168.N as missing WARNING: atoms too close: (T0375)S167.N and (T0375)V220.N only 0.000 apart, marking (T0375)S167.N as missing WARNING: atoms too close: (T0375)V166.N and (T0375)V220.N only 0.000 apart, marking (T0375)V166.N as missing WARNING: atoms too close: (T0375)N100.N and (T0375)V220.N only 0.000 apart, marking (T0375)N100.N as missing WARNING: atoms too close: (T0375)I99.N and (T0375)V220.N only 0.000 apart, marking (T0375)I99.N as missing WARNING: atoms too close: (T0375)I98.N and (T0375)V220.N only 0.000 apart, marking (T0375)I98.N as missing WARNING: atoms too close: (T0375)V97.N and (T0375)V220.N only 0.000 apart, marking (T0375)V220.N as missing WARNING: atoms too close: (T0375)G198.CA and (T0375)V220.CA only 0.000 apart, marking (T0375)V220.CA as missing WARNING: atoms too close: (T0375)L197.CA and (T0375)V220.CA only 0.000 apart, marking (T0375)V220.CA as missing WARNING: atoms too close: (T0375)R174.CA and (T0375)V220.CA only 0.000 apart, marking (T0375)V220.CA as missing WARNING: atoms too close: (T0375)P173.CA and (T0375)V220.CA only 0.000 apart, marking (T0375)V220.CA as missing WARNING: atoms too close: (T0375)K172.CA and (T0375)V220.CA only 0.000 apart, marking (T0375)V220.CA as missing WARNING: atoms too close: (T0375)E171.CA and (T0375)V220.CA only 0.000 apart, marking (T0375)V220.CA as missing WARNING: atoms too close: (T0375)V170.CA and (T0375)V220.CA only 0.000 apart, marking (T0375)V220.CA as missing WARNING: atoms too close: (T0375)E169.CA and (T0375)V220.CA only 0.000 apart, marking (T0375)V220.CA as missing WARNING: atoms too close: (T0375)V168.CA and (T0375)V220.CA only 0.000 apart, marking (T0375)V220.CA as missing WARNING: atoms too close: (T0375)S167.CA and (T0375)V220.CA only 0.000 apart, marking (T0375)V220.CA as missing WARNING: atoms too close: (T0375)V166.CA and (T0375)V220.CA only 0.000 apart, marking (T0375)V220.CA as missing WARNING: atoms too close: (T0375)N100.CA and (T0375)V220.CA only 0.000 apart, marking (T0375)V220.CA as missing WARNING: atoms too close: (T0375)I99.CA and (T0375)V220.CA only 0.000 apart, marking (T0375)V220.CA as missing WARNING: atoms too close: (T0375)I98.CA and (T0375)V220.CA only 0.000 apart, marking (T0375)V220.CA as missing WARNING: atoms too close: (T0375)V97.CA and (T0375)V220.CA only 0.000 apart, marking (T0375)V220.CA as missing WARNING: atoms too close: (T0375)L197.CB and (T0375)V220.CB only 0.000 apart, marking (T0375)V220.CB as missing WARNING: atoms too close: (T0375)R174.CB and (T0375)V220.CB only 0.000 apart, marking (T0375)V220.CB as missing WARNING: atoms too close: (T0375)P173.CB and (T0375)V220.CB only 0.000 apart, marking (T0375)V220.CB as missing WARNING: atoms too close: (T0375)K172.CB and (T0375)V220.CB only 0.000 apart, marking (T0375)V220.CB as missing WARNING: atoms too close: (T0375)E171.CB and (T0375)V220.CB only 0.000 apart, marking (T0375)V220.CB as missing WARNING: atoms too close: (T0375)V170.CB and (T0375)V220.CB only 0.000 apart, marking (T0375)V220.CB as missing WARNING: atoms too close: (T0375)E169.CB and (T0375)V220.CB only 0.000 apart, marking (T0375)V220.CB as missing WARNING: atoms too close: (T0375)V168.CB and (T0375)V220.CB only 0.000 apart, marking (T0375)V220.CB as missing WARNING: atoms too close: (T0375)S167.CB and (T0375)V220.CB only 0.000 apart, marking (T0375)V220.CB as missing WARNING: atoms too close: (T0375)V166.CB and (T0375)V220.CB only 0.000 apart, marking (T0375)V220.CB as missing WARNING: atoms too close: (T0375)N100.CB and (T0375)V220.CB only 0.000 apart, marking (T0375)V220.CB as missing WARNING: atoms too close: (T0375)I99.CB and (T0375)V220.CB only 0.000 apart, marking (T0375)V220.CB as missing WARNING: atoms too close: (T0375)I98.CB and (T0375)V220.CB only 0.000 apart, marking (T0375)V220.CB as missing WARNING: atoms too close: (T0375)V97.CB and (T0375)V220.CB only 0.000 apart, marking (T0375)V220.CB as missing WARNING: atoms too close: (T0375)L197.CG and (T0375)V220.CG1 only 0.000 apart, marking (T0375)V220.CG1 as missing WARNING: atoms too close: (T0375)R174.CG and (T0375)V220.CG1 only 0.000 apart, marking (T0375)V220.CG1 as missing WARNING: atoms too close: (T0375)K172.CG and (T0375)V220.CG1 only 0.000 apart, marking (T0375)V220.CG1 as missing WARNING: atoms too close: (T0375)E171.CG and (T0375)V220.CG1 only 0.000 apart, marking (T0375)V220.CG1 as missing WARNING: atoms too close: (T0375)V170.CG1 and (T0375)V220.CG1 only 0.000 apart, marking (T0375)V220.CG1 as missing WARNING: atoms too close: (T0375)E169.CG and (T0375)V220.CG1 only 0.000 apart, marking (T0375)V220.CG1 as missing WARNING: atoms too close: (T0375)V168.CG1 and (T0375)V220.CG1 only 0.000 apart, marking (T0375)V220.CG1 as missing WARNING: atoms too close: (T0375)V166.CG1 and (T0375)V220.CG1 only 0.000 apart, marking (T0375)V220.CG1 as missing WARNING: atoms too close: (T0375)N100.CG and (T0375)V220.CG1 only 0.000 apart, marking (T0375)V220.CG1 as missing WARNING: atoms too close: (T0375)I99.CG1 and (T0375)V220.CG1 only 0.000 apart, marking (T0375)V220.CG1 as missing WARNING: atoms too close: (T0375)I98.CG1 and (T0375)V220.CG1 only 0.000 apart, marking (T0375)V220.CG1 as missing WARNING: atoms too close: (T0375)V97.CG1 and (T0375)V220.CG1 only 0.000 apart, marking (T0375)V220.CG1 as missing WARNING: atoms too close: (T0375)G198.O and (T0375)V220.O only 0.000 apart, marking (T0375)V220.O as missing WARNING: atoms too close: (T0375)L197.O and (T0375)V220.O only 0.000 apart, marking (T0375)V220.O as missing WARNING: atoms too close: (T0375)R174.O and (T0375)V220.O only 0.000 apart, marking (T0375)V220.O as missing WARNING: atoms too close: (T0375)P173.O and (T0375)V220.O only 0.000 apart, marking (T0375)V220.O as missing WARNING: atoms too close: (T0375)K172.O and (T0375)V220.O only 0.000 apart, marking (T0375)V220.O as missing WARNING: atoms too close: (T0375)E171.O and (T0375)V220.O only 0.000 apart, marking (T0375)V220.O as missing WARNING: atoms too close: (T0375)V170.O and (T0375)V220.O only 0.000 apart, marking (T0375)V220.O as missing WARNING: atoms too close: (T0375)E169.O and (T0375)V220.O only 0.000 apart, marking (T0375)V220.O as missing WARNING: atoms too close: (T0375)V168.O and (T0375)V220.O only 0.000 apart, marking (T0375)V220.O as missing WARNING: atoms too close: (T0375)S167.O and (T0375)V220.O only 0.000 apart, marking (T0375)V220.O as missing WARNING: atoms too close: (T0375)V166.O and (T0375)V220.O only 0.000 apart, marking (T0375)V220.O as missing WARNING: atoms too close: (T0375)N100.O and (T0375)V220.O only 0.000 apart, marking (T0375)V220.O as missing WARNING: atoms too close: (T0375)I99.O and (T0375)V220.O only 0.000 apart, marking (T0375)V220.O as missing WARNING: atoms too close: (T0375)I98.O and (T0375)V220.O only 0.000 apart, marking (T0375)V220.O as missing WARNING: atoms too close: (T0375)V97.O and (T0375)V220.O only 0.000 apart, marking (T0375)V220.O as missing WARNING: atoms too close: (T0375)G198.C and (T0375)V220.C only 0.000 apart, marking (T0375)V220.C as missing WARNING: atoms too close: (T0375)L197.C and (T0375)V220.C only 0.000 apart, marking (T0375)V220.C as missing WARNING: atoms too close: (T0375)R174.C and (T0375)V220.C only 0.000 apart, marking (T0375)V220.C as missing WARNING: atoms too close: (T0375)P173.C and (T0375)V220.C only 0.000 apart, marking (T0375)V220.C as missing WARNING: atoms too close: (T0375)K172.C and (T0375)V220.C only 0.000 apart, marking (T0375)V220.C as missing WARNING: atoms too close: (T0375)E171.C and (T0375)V220.C only 0.000 apart, marking (T0375)V220.C as missing WARNING: atoms too close: (T0375)V170.C and (T0375)V220.C only 0.000 apart, marking (T0375)V220.C as missing WARNING: atoms too close: (T0375)E169.C and (T0375)V220.C only 0.000 apart, marking (T0375)V220.C as missing WARNING: atoms too close: (T0375)V168.C and (T0375)V220.C only 0.000 apart, marking (T0375)V220.C as missing WARNING: atoms too close: (T0375)S167.C and (T0375)V220.C only 0.000 apart, marking (T0375)V220.C as missing WARNING: atoms too close: (T0375)V166.C and (T0375)V220.C only 0.000 apart, marking (T0375)V220.C as missing WARNING: atoms too close: (T0375)N100.C and (T0375)V220.C only 0.000 apart, marking (T0375)V220.C as missing WARNING: atoms too close: (T0375)I99.C and (T0375)V220.C only 0.000 apart, marking (T0375)V220.C as missing WARNING: atoms too close: (T0375)I98.C and (T0375)V220.C only 0.000 apart, marking (T0375)V220.C as missing WARNING: atoms too close: (T0375)V97.C and (T0375)V220.C only 0.000 apart, marking (T0375)V220.C as missing WARNING: atoms too close: (T0375)V220.N and (T0375)C221.N only 0.000 apart, marking (T0375)V220.N as missing WARNING: atoms too close: (T0375)G198.N and (T0375)C221.N only 0.000 apart, marking (T0375)G198.N as missing WARNING: atoms too close: (T0375)L197.N and (T0375)C221.N only 0.000 apart, marking (T0375)L197.N as missing WARNING: atoms too close: (T0375)R174.N and (T0375)C221.N only 0.000 apart, marking (T0375)R174.N as missing WARNING: atoms too close: (T0375)P173.N and (T0375)C221.N only 0.000 apart, marking (T0375)P173.N as missing WARNING: atoms too close: (T0375)K172.N and (T0375)C221.N only 0.000 apart, marking (T0375)K172.N as missing WARNING: atoms too close: (T0375)E171.N and (T0375)C221.N only 0.000 apart, marking (T0375)E171.N as missing WARNING: atoms too close: (T0375)V170.N and (T0375)C221.N only 0.000 apart, marking (T0375)V170.N as missing WARNING: atoms too close: (T0375)E169.N and (T0375)C221.N only 0.000 apart, marking (T0375)E169.N as missing WARNING: atoms too close: (T0375)V168.N and (T0375)C221.N only 0.000 apart, marking (T0375)V168.N as missing WARNING: atoms too close: (T0375)S167.N and (T0375)C221.N only 0.000 apart, marking (T0375)S167.N as missing WARNING: atoms too close: (T0375)V166.N and (T0375)C221.N only 0.000 apart, marking (T0375)V166.N as missing WARNING: atoms too close: (T0375)N100.N and (T0375)C221.N only 0.000 apart, marking (T0375)N100.N as missing WARNING: atoms too close: (T0375)I99.N and (T0375)C221.N only 0.000 apart, marking (T0375)I99.N as missing WARNING: atoms too close: (T0375)I98.N and (T0375)C221.N only 0.000 apart, marking (T0375)I98.N as missing WARNING: atoms too close: (T0375)V97.N and (T0375)C221.N only 0.000 apart, marking (T0375)C221.N as missing WARNING: atoms too close: (T0375)V220.CA and (T0375)C221.CA only 0.000 apart, marking (T0375)C221.CA as missing WARNING: atoms too close: (T0375)G198.CA and (T0375)C221.CA only 0.000 apart, marking (T0375)C221.CA as missing WARNING: atoms too close: (T0375)L197.CA and (T0375)C221.CA only 0.000 apart, marking (T0375)C221.CA as missing WARNING: atoms too close: (T0375)R174.CA and (T0375)C221.CA only 0.000 apart, marking (T0375)C221.CA as missing WARNING: atoms too close: (T0375)P173.CA and (T0375)C221.CA only 0.000 apart, marking (T0375)C221.CA as missing WARNING: atoms too close: (T0375)K172.CA and (T0375)C221.CA only 0.000 apart, marking (T0375)C221.CA as missing WARNING: atoms too close: (T0375)E171.CA and (T0375)C221.CA only 0.000 apart, marking (T0375)C221.CA as missing WARNING: atoms too close: (T0375)V170.CA and (T0375)C221.CA only 0.000 apart, marking (T0375)C221.CA as missing WARNING: atoms too close: (T0375)E169.CA and (T0375)C221.CA only 0.000 apart, marking (T0375)C221.CA as missing WARNING: atoms too close: (T0375)V168.CA and (T0375)C221.CA only 0.000 apart, marking (T0375)C221.CA as missing WARNING: atoms too close: (T0375)S167.CA and (T0375)C221.CA only 0.000 apart, marking (T0375)C221.CA as missing WARNING: atoms too close: (T0375)V166.CA and (T0375)C221.CA only 0.000 apart, marking (T0375)C221.CA as missing WARNING: atoms too close: (T0375)N100.CA and (T0375)C221.CA only 0.000 apart, marking (T0375)C221.CA as missing WARNING: atoms too close: (T0375)I99.CA and (T0375)C221.CA only 0.000 apart, marking (T0375)C221.CA as missing WARNING: atoms too close: (T0375)I98.CA and (T0375)C221.CA only 0.000 apart, marking (T0375)C221.CA as missing WARNING: atoms too close: (T0375)V97.CA and (T0375)C221.CA only 0.000 apart, marking (T0375)C221.CA as missing WARNING: atoms too close: (T0375)V220.CB and (T0375)C221.CB only 0.000 apart, marking (T0375)C221.CB as missing WARNING: atoms too close: (T0375)L197.CB and (T0375)C221.CB only 0.000 apart, marking (T0375)C221.CB as missing WARNING: atoms too close: (T0375)R174.CB and (T0375)C221.CB only 0.000 apart, marking (T0375)C221.CB as missing WARNING: atoms too close: (T0375)P173.CB and (T0375)C221.CB only 0.000 apart, marking (T0375)C221.CB as missing WARNING: atoms too close: (T0375)K172.CB and (T0375)C221.CB only 0.000 apart, marking (T0375)C221.CB as missing WARNING: atoms too close: (T0375)E171.CB and (T0375)C221.CB only 0.000 apart, marking (T0375)C221.CB as missing WARNING: atoms too close: (T0375)V170.CB and (T0375)C221.CB only 0.000 apart, marking (T0375)C221.CB as missing WARNING: atoms too close: (T0375)E169.CB and (T0375)C221.CB only 0.000 apart, marking (T0375)C221.CB as missing WARNING: atoms too close: (T0375)V168.CB and (T0375)C221.CB only 0.000 apart, marking (T0375)C221.CB as missing WARNING: atoms too close: (T0375)S167.CB and (T0375)C221.CB only 0.000 apart, marking (T0375)C221.CB as missing WARNING: atoms too close: (T0375)V166.CB and (T0375)C221.CB only 0.000 apart, marking (T0375)C221.CB as missing WARNING: atoms too close: (T0375)N100.CB and (T0375)C221.CB only 0.000 apart, marking (T0375)C221.CB as missing WARNING: atoms too close: (T0375)I99.CB and (T0375)C221.CB only 0.000 apart, marking (T0375)C221.CB as missing WARNING: atoms too close: (T0375)I98.CB and (T0375)C221.CB only 0.000 apart, marking (T0375)C221.CB as missing WARNING: atoms too close: (T0375)V97.CB and (T0375)C221.CB only 0.000 apart, marking (T0375)C221.CB as missing WARNING: atoms too close: (T0375)V220.O and (T0375)C221.O only 0.000 apart, marking (T0375)C221.O as missing WARNING: atoms too close: (T0375)G198.O and (T0375)C221.O only 0.000 apart, marking (T0375)C221.O as missing WARNING: atoms too close: (T0375)L197.O and (T0375)C221.O only 0.000 apart, marking (T0375)C221.O as missing WARNING: atoms too close: (T0375)R174.O and (T0375)C221.O only 0.000 apart, marking (T0375)C221.O as missing WARNING: atoms too close: (T0375)P173.O and (T0375)C221.O only 0.000 apart, marking (T0375)C221.O as missing WARNING: atoms too close: (T0375)K172.O and (T0375)C221.O only 0.000 apart, marking (T0375)C221.O as missing WARNING: atoms too close: (T0375)E171.O and (T0375)C221.O only 0.000 apart, marking (T0375)C221.O as missing WARNING: atoms too close: (T0375)V170.O and (T0375)C221.O only 0.000 apart, marking (T0375)C221.O as missing WARNING: atoms too close: (T0375)E169.O and (T0375)C221.O only 0.000 apart, marking (T0375)C221.O as missing WARNING: atoms too close: (T0375)V168.O and (T0375)C221.O only 0.000 apart, marking (T0375)C221.O as missing WARNING: atoms too close: (T0375)S167.O and (T0375)C221.O only 0.000 apart, marking (T0375)C221.O as missing WARNING: atoms too close: (T0375)V166.O and (T0375)C221.O only 0.000 apart, marking (T0375)C221.O as missing WARNING: atoms too close: (T0375)N100.O and (T0375)C221.O only 0.000 apart, marking (T0375)C221.O as missing WARNING: atoms too close: (T0375)I99.O and (T0375)C221.O only 0.000 apart, marking (T0375)C221.O as missing WARNING: atoms too close: (T0375)I98.O and (T0375)C221.O only 0.000 apart, marking (T0375)C221.O as missing WARNING: atoms too close: (T0375)V97.O and (T0375)C221.O only 0.000 apart, marking (T0375)C221.O as missing WARNING: atoms too close: (T0375)V220.C and (T0375)C221.C only 0.000 apart, marking (T0375)C221.C as missing WARNING: atoms too close: (T0375)G198.C and (T0375)C221.C only 0.000 apart, marking (T0375)C221.C as missing WARNING: atoms too close: (T0375)L197.C and (T0375)C221.C only 0.000 apart, marking (T0375)C221.C as missing WARNING: atoms too close: (T0375)R174.C and (T0375)C221.C only 0.000 apart, marking (T0375)C221.C as missing WARNING: atoms too close: (T0375)P173.C and (T0375)C221.C only 0.000 apart, marking (T0375)C221.C as missing WARNING: atoms too close: (T0375)K172.C and (T0375)C221.C only 0.000 apart, marking (T0375)C221.C as missing WARNING: atoms too close: (T0375)E171.C and (T0375)C221.C only 0.000 apart, marking (T0375)C221.C as missing WARNING: atoms too close: (T0375)V170.C and (T0375)C221.C only 0.000 apart, marking (T0375)C221.C as missing WARNING: atoms too close: (T0375)E169.C and (T0375)C221.C only 0.000 apart, marking (T0375)C221.C as missing WARNING: atoms too close: (T0375)V168.C and (T0375)C221.C only 0.000 apart, marking (T0375)C221.C as missing WARNING: atoms too close: (T0375)S167.C and (T0375)C221.C only 0.000 apart, marking (T0375)C221.C as missing WARNING: atoms too close: (T0375)V166.C and (T0375)C221.C only 0.000 apart, marking (T0375)C221.C as missing WARNING: atoms too close: (T0375)N100.C and (T0375)C221.C only 0.000 apart, marking (T0375)C221.C as missing WARNING: atoms too close: (T0375)I99.C and (T0375)C221.C only 0.000 apart, marking (T0375)C221.C as missing WARNING: atoms too close: (T0375)I98.C and (T0375)C221.C only 0.000 apart, marking (T0375)C221.C as missing WARNING: atoms too close: (T0375)V97.C and (T0375)C221.C only 0.000 apart, marking (T0375)C221.C as missing WARNING: atoms too close: (T0375)C221.N and (T0375)A222.N only 0.000 apart, marking (T0375)C221.N as missing WARNING: atoms too close: (T0375)V220.N and (T0375)A222.N only 0.000 apart, marking (T0375)V220.N as missing WARNING: atoms too close: (T0375)G198.N and (T0375)A222.N only 0.000 apart, marking (T0375)G198.N as missing WARNING: atoms too close: (T0375)L197.N and (T0375)A222.N only 0.000 apart, marking (T0375)L197.N as missing WARNING: atoms too close: (T0375)R174.N and (T0375)A222.N only 0.000 apart, marking (T0375)R174.N as missing WARNING: atoms too close: (T0375)P173.N and (T0375)A222.N only 0.000 apart, marking (T0375)P173.N as missing WARNING: atoms too close: (T0375)K172.N and (T0375)A222.N only 0.000 apart, marking (T0375)K172.N as missing WARNING: atoms too close: (T0375)E171.N and (T0375)A222.N only 0.000 apart, marking (T0375)E171.N as missing WARNING: atoms too close: (T0375)V170.N and (T0375)A222.N only 0.000 apart, marking (T0375)V170.N as missing WARNING: atoms too close: (T0375)E169.N and (T0375)A222.N only 0.000 apart, marking (T0375)E169.N as missing WARNING: atoms too close: (T0375)V168.N and (T0375)A222.N only 0.000 apart, marking (T0375)V168.N as missing WARNING: atoms too close: (T0375)S167.N and (T0375)A222.N only 0.000 apart, marking (T0375)S167.N as missing WARNING: atoms too close: (T0375)V166.N and (T0375)A222.N only 0.000 apart, marking (T0375)V166.N as missing WARNING: atoms too close: (T0375)N100.N and (T0375)A222.N only 0.000 apart, marking (T0375)N100.N as missing WARNING: atoms too close: (T0375)I99.N and (T0375)A222.N only 0.000 apart, marking (T0375)I99.N as missing WARNING: atoms too close: (T0375)I98.N and (T0375)A222.N only 0.000 apart, marking (T0375)I98.N as missing WARNING: atoms too close: (T0375)V97.N and (T0375)A222.N only 0.000 apart, marking (T0375)A222.N as missing WARNING: atoms too close: (T0375)C221.CA and (T0375)A222.CA only 0.000 apart, marking (T0375)A222.CA as missing WARNING: atoms too close: (T0375)V220.CA and (T0375)A222.CA only 0.000 apart, marking (T0375)A222.CA as missing WARNING: atoms too close: (T0375)G198.CA and (T0375)A222.CA only 0.000 apart, marking (T0375)A222.CA as missing WARNING: atoms too close: (T0375)L197.CA and (T0375)A222.CA only 0.000 apart, marking (T0375)A222.CA as missing WARNING: atoms too close: (T0375)R174.CA and (T0375)A222.CA only 0.000 apart, marking (T0375)A222.CA as missing WARNING: atoms too close: (T0375)P173.CA and (T0375)A222.CA only 0.000 apart, marking (T0375)A222.CA as missing WARNING: atoms too close: (T0375)K172.CA and (T0375)A222.CA only 0.000 apart, marking (T0375)A222.CA as missing WARNING: atoms too close: (T0375)E171.CA and (T0375)A222.CA only 0.000 apart, marking (T0375)A222.CA as missing WARNING: atoms too close: (T0375)V170.CA and (T0375)A222.CA only 0.000 apart, marking (T0375)A222.CA as missing WARNING: atoms too close: (T0375)E169.CA and (T0375)A222.CA only 0.000 apart, marking (T0375)A222.CA as missing WARNING: atoms too close: (T0375)V168.CA and (T0375)A222.CA only 0.000 apart, marking (T0375)A222.CA as missing WARNING: atoms too close: (T0375)S167.CA and (T0375)A222.CA only 0.000 apart, marking (T0375)A222.CA as missing WARNING: atoms too close: (T0375)V166.CA and (T0375)A222.CA only 0.000 apart, marking (T0375)A222.CA as missing WARNING: atoms too close: (T0375)N100.CA and (T0375)A222.CA only 0.000 apart, marking (T0375)A222.CA as missing WARNING: atoms too close: (T0375)I99.CA and (T0375)A222.CA only 0.000 apart, marking (T0375)A222.CA as missing WARNING: atoms too close: (T0375)I98.CA and (T0375)A222.CA only 0.000 apart, marking (T0375)A222.CA as missing WARNING: atoms too close: (T0375)V97.CA and (T0375)A222.CA only 0.000 apart, marking (T0375)A222.CA as missing WARNING: atoms too close: (T0375)C221.CB and (T0375)A222.CB only 0.000 apart, marking (T0375)A222.CB as missing WARNING: atoms too close: (T0375)V220.CB and (T0375)A222.CB only 0.000 apart, marking (T0375)A222.CB as missing WARNING: atoms too close: (T0375)L197.CB and (T0375)A222.CB only 0.000 apart, marking (T0375)A222.CB as missing WARNING: atoms too close: (T0375)R174.CB and (T0375)A222.CB only 0.000 apart, marking (T0375)A222.CB as missing WARNING: atoms too close: (T0375)P173.CB and (T0375)A222.CB only 0.000 apart, marking (T0375)A222.CB as missing WARNING: atoms too close: (T0375)K172.CB and (T0375)A222.CB only 0.000 apart, marking (T0375)A222.CB as missing WARNING: atoms too close: (T0375)E171.CB and (T0375)A222.CB only 0.000 apart, marking (T0375)A222.CB as missing WARNING: atoms too close: (T0375)V170.CB and (T0375)A222.CB only 0.000 apart, marking (T0375)A222.CB as missing WARNING: atoms too close: (T0375)E169.CB and (T0375)A222.CB only 0.000 apart, marking (T0375)A222.CB as missing WARNING: atoms too close: (T0375)V168.CB and (T0375)A222.CB only 0.000 apart, marking (T0375)A222.CB as missing WARNING: atoms too close: (T0375)S167.CB and (T0375)A222.CB only 0.000 apart, marking (T0375)A222.CB as missing WARNING: atoms too close: (T0375)V166.CB and (T0375)A222.CB only 0.000 apart, marking (T0375)A222.CB as missing WARNING: atoms too close: (T0375)N100.CB and (T0375)A222.CB only 0.000 apart, marking (T0375)A222.CB as missing WARNING: atoms too close: (T0375)I99.CB and (T0375)A222.CB only 0.000 apart, marking (T0375)A222.CB as missing WARNING: atoms too close: (T0375)I98.CB and (T0375)A222.CB only 0.000 apart, marking (T0375)A222.CB as missing WARNING: atoms too close: (T0375)V97.CB and (T0375)A222.CB only 0.000 apart, marking (T0375)A222.CB as missing WARNING: atoms too close: (T0375)C221.O and (T0375)A222.O only 0.000 apart, marking (T0375)A222.O as missing WARNING: atoms too close: (T0375)V220.O and (T0375)A222.O only 0.000 apart, marking (T0375)A222.O as missing WARNING: atoms too close: (T0375)G198.O and (T0375)A222.O only 0.000 apart, marking (T0375)A222.O as missing WARNING: atoms too close: (T0375)L197.O and (T0375)A222.O only 0.000 apart, marking (T0375)A222.O as missing WARNING: atoms too close: (T0375)R174.O and (T0375)A222.O only 0.000 apart, marking (T0375)A222.O as missing WARNING: atoms too close: (T0375)P173.O and (T0375)A222.O only 0.000 apart, marking (T0375)A222.O as missing WARNING: atoms too close: (T0375)K172.O and (T0375)A222.O only 0.000 apart, marking (T0375)A222.O as missing WARNING: atoms too close: (T0375)E171.O and (T0375)A222.O only 0.000 apart, marking (T0375)A222.O as missing WARNING: atoms too close: (T0375)V170.O and (T0375)A222.O only 0.000 apart, marking (T0375)A222.O as missing WARNING: atoms too close: (T0375)E169.O and (T0375)A222.O only 0.000 apart, marking (T0375)A222.O as missing WARNING: atoms too close: (T0375)V168.O and (T0375)A222.O only 0.000 apart, marking (T0375)A222.O as missing WARNING: atoms too close: (T0375)S167.O and (T0375)A222.O only 0.000 apart, marking (T0375)A222.O as missing WARNING: atoms too close: (T0375)V166.O and (T0375)A222.O only 0.000 apart, marking (T0375)A222.O as missing WARNING: atoms too close: (T0375)N100.O and (T0375)A222.O only 0.000 apart, marking (T0375)A222.O as missing WARNING: atoms too close: (T0375)I99.O and (T0375)A222.O only 0.000 apart, marking (T0375)A222.O as missing WARNING: atoms too close: (T0375)I98.O and (T0375)A222.O only 0.000 apart, marking (T0375)A222.O as missing WARNING: atoms too close: (T0375)V97.O and (T0375)A222.O only 0.000 apart, marking (T0375)A222.O as missing WARNING: atoms too close: (T0375)C221.C and (T0375)A222.C only 0.000 apart, marking (T0375)A222.C as missing WARNING: atoms too close: (T0375)V220.C and (T0375)A222.C only 0.000 apart, marking (T0375)A222.C as missing WARNING: atoms too close: (T0375)G198.C and (T0375)A222.C only 0.000 apart, marking (T0375)A222.C as missing WARNING: atoms too close: (T0375)L197.C and (T0375)A222.C only 0.000 apart, marking (T0375)A222.C as missing WARNING: atoms too close: (T0375)R174.C and (T0375)A222.C only 0.000 apart, marking (T0375)A222.C as missing WARNING: atoms too close: (T0375)P173.C and (T0375)A222.C only 0.000 apart, marking (T0375)A222.C as missing WARNING: atoms too close: (T0375)K172.C and (T0375)A222.C only 0.000 apart, marking (T0375)A222.C as missing WARNING: atoms too close: (T0375)E171.C and (T0375)A222.C only 0.000 apart, marking (T0375)A222.C as missing WARNING: atoms too close: (T0375)V170.C and (T0375)A222.C only 0.000 apart, marking (T0375)A222.C as missing WARNING: atoms too close: (T0375)E169.C and (T0375)A222.C only 0.000 apart, marking (T0375)A222.C as missing WARNING: atoms too close: (T0375)V168.C and (T0375)A222.C only 0.000 apart, marking (T0375)A222.C as missing WARNING: atoms too close: (T0375)S167.C and (T0375)A222.C only 0.000 apart, marking (T0375)A222.C as missing WARNING: atoms too close: (T0375)V166.C and (T0375)A222.C only 0.000 apart, marking (T0375)A222.C as missing WARNING: atoms too close: (T0375)N100.C and (T0375)A222.C only 0.000 apart, marking (T0375)A222.C as missing WARNING: atoms too close: (T0375)I99.C and (T0375)A222.C only 0.000 apart, marking (T0375)A222.C as missing WARNING: atoms too close: (T0375)I98.C and (T0375)A222.C only 0.000 apart, marking (T0375)A222.C as missing WARNING: atoms too close: (T0375)V97.C and (T0375)A222.C only 0.000 apart, marking (T0375)A222.C as missing WARNING: atoms too close: (T0375)A222.N and (T0375)W223.N only 0.000 apart, marking (T0375)A222.N as missing WARNING: atoms too close: (T0375)C221.N and (T0375)W223.N only 0.000 apart, marking (T0375)C221.N as missing WARNING: atoms too close: (T0375)V220.N and (T0375)W223.N only 0.000 apart, marking (T0375)V220.N as missing WARNING: atoms too close: (T0375)G198.N and (T0375)W223.N only 0.000 apart, marking (T0375)G198.N as missing WARNING: atoms too close: (T0375)L197.N and (T0375)W223.N only 0.000 apart, marking (T0375)L197.N as missing WARNING: atoms too close: (T0375)R174.N and (T0375)W223.N only 0.000 apart, marking (T0375)R174.N as missing WARNING: atoms too close: (T0375)P173.N and (T0375)W223.N only 0.000 apart, marking (T0375)P173.N as missing WARNING: atoms too close: (T0375)K172.N and (T0375)W223.N only 0.000 apart, marking (T0375)K172.N as missing WARNING: atoms too close: (T0375)E171.N and (T0375)W223.N only 0.000 apart, marking (T0375)E171.N as missing WARNING: atoms too close: (T0375)V170.N and (T0375)W223.N only 0.000 apart, marking (T0375)V170.N as missing WARNING: atoms too close: (T0375)E169.N and (T0375)W223.N only 0.000 apart, marking (T0375)E169.N as missing WARNING: atoms too close: (T0375)V168.N and (T0375)W223.N only 0.000 apart, marking (T0375)V168.N as missing WARNING: atoms too close: (T0375)S167.N and (T0375)W223.N only 0.000 apart, marking (T0375)S167.N as missing WARNING: atoms too close: (T0375)V166.N and (T0375)W223.N only 0.000 apart, marking (T0375)V166.N as missing WARNING: atoms too close: (T0375)N100.N and (T0375)W223.N only 0.000 apart, marking (T0375)N100.N as missing WARNING: atoms too close: (T0375)I99.N and (T0375)W223.N only 0.000 apart, marking (T0375)I99.N as missing WARNING: atoms too close: (T0375)I98.N and (T0375)W223.N only 0.000 apart, marking (T0375)I98.N as missing WARNING: atoms too close: (T0375)V97.N and (T0375)W223.N only 0.000 apart, marking (T0375)W223.N as missing WARNING: atoms too close: (T0375)A222.CA and (T0375)W223.CA only 0.000 apart, marking (T0375)W223.CA as missing WARNING: atoms too close: (T0375)C221.CA and (T0375)W223.CA only 0.000 apart, marking (T0375)W223.CA as missing WARNING: atoms too close: (T0375)V220.CA and (T0375)W223.CA only 0.000 apart, marking (T0375)W223.CA as missing WARNING: atoms too close: (T0375)G198.CA and (T0375)W223.CA only 0.000 apart, marking (T0375)W223.CA as missing WARNING: atoms too close: (T0375)L197.CA and (T0375)W223.CA only 0.000 apart, marking (T0375)W223.CA as missing WARNING: atoms too close: (T0375)R174.CA and (T0375)W223.CA only 0.000 apart, marking (T0375)W223.CA as missing WARNING: atoms too close: (T0375)P173.CA and (T0375)W223.CA only 0.000 apart, marking (T0375)W223.CA as missing WARNING: atoms too close: (T0375)K172.CA and (T0375)W223.CA only 0.000 apart, marking (T0375)W223.CA as missing WARNING: atoms too close: (T0375)E171.CA and (T0375)W223.CA only 0.000 apart, marking (T0375)W223.CA as missing WARNING: atoms too close: (T0375)V170.CA and (T0375)W223.CA only 0.000 apart, marking (T0375)W223.CA as missing WARNING: atoms too close: (T0375)E169.CA and (T0375)W223.CA only 0.000 apart, marking (T0375)W223.CA as missing WARNING: atoms too close: (T0375)V168.CA and (T0375)W223.CA only 0.000 apart, marking (T0375)W223.CA as missing WARNING: atoms too close: (T0375)S167.CA and (T0375)W223.CA only 0.000 apart, marking (T0375)W223.CA as missing WARNING: atoms too close: (T0375)V166.CA and (T0375)W223.CA only 0.000 apart, marking (T0375)W223.CA as missing WARNING: atoms too close: (T0375)N100.CA and (T0375)W223.CA only 0.000 apart, marking (T0375)W223.CA as missing WARNING: atoms too close: (T0375)I99.CA and (T0375)W223.CA only 0.000 apart, marking (T0375)W223.CA as missing WARNING: atoms too close: (T0375)I98.CA and (T0375)W223.CA only 0.000 apart, marking (T0375)W223.CA as missing WARNING: atoms too close: (T0375)V97.CA and (T0375)W223.CA only 0.000 apart, marking (T0375)W223.CA as missing WARNING: atoms too close: (T0375)A222.CB and (T0375)W223.CB only 0.000 apart, marking (T0375)W223.CB as missing WARNING: atoms too close: (T0375)C221.CB and (T0375)W223.CB only 0.000 apart, marking (T0375)W223.CB as missing WARNING: atoms too close: (T0375)V220.CB and (T0375)W223.CB only 0.000 apart, marking (T0375)W223.CB as missing WARNING: atoms too close: (T0375)L197.CB and (T0375)W223.CB only 0.000 apart, marking (T0375)W223.CB as missing WARNING: atoms too close: (T0375)R174.CB and (T0375)W223.CB only 0.000 apart, marking (T0375)W223.CB as missing WARNING: atoms too close: (T0375)P173.CB and (T0375)W223.CB only 0.000 apart, marking (T0375)W223.CB as missing WARNING: atoms too close: (T0375)K172.CB and (T0375)W223.CB only 0.000 apart, marking (T0375)W223.CB as missing WARNING: atoms too close: (T0375)E171.CB and (T0375)W223.CB only 0.000 apart, marking (T0375)W223.CB as missing WARNING: atoms too close: (T0375)V170.CB and (T0375)W223.CB only 0.000 apart, marking (T0375)W223.CB as missing WARNING: atoms too close: (T0375)E169.CB and (T0375)W223.CB only 0.000 apart, marking (T0375)W223.CB as missing WARNING: atoms too close: (T0375)V168.CB and (T0375)W223.CB only 0.000 apart, marking (T0375)W223.CB as missing WARNING: atoms too close: (T0375)S167.CB and (T0375)W223.CB only 0.000 apart, marking (T0375)W223.CB as missing WARNING: atoms too close: (T0375)V166.CB and (T0375)W223.CB only 0.000 apart, marking (T0375)W223.CB as missing WARNING: atoms too close: (T0375)N100.CB and (T0375)W223.CB only 0.000 apart, marking (T0375)W223.CB as missing WARNING: atoms too close: (T0375)I99.CB and (T0375)W223.CB only 0.000 apart, marking (T0375)W223.CB as missing WARNING: atoms too close: (T0375)I98.CB and (T0375)W223.CB only 0.000 apart, marking (T0375)W223.CB as missing WARNING: atoms too close: (T0375)V97.CB and (T0375)W223.CB only 0.000 apart, marking (T0375)W223.CB as missing WARNING: atoms too close: (T0375)V220.CG1 and (T0375)W223.CG only 0.000 apart, marking (T0375)W223.CG as missing WARNING: atoms too close: (T0375)L197.CG and (T0375)W223.CG only 0.000 apart, marking (T0375)W223.CG as missing WARNING: atoms too close: (T0375)R174.CG and (T0375)W223.CG only 0.000 apart, marking (T0375)W223.CG as missing WARNING: atoms too close: (T0375)K172.CG and (T0375)W223.CG only 0.000 apart, marking (T0375)W223.CG as missing WARNING: atoms too close: (T0375)E171.CG and (T0375)W223.CG only 0.000 apart, marking (T0375)W223.CG as missing WARNING: atoms too close: (T0375)V170.CG1 and (T0375)W223.CG only 0.000 apart, marking (T0375)W223.CG as missing WARNING: atoms too close: (T0375)E169.CG and (T0375)W223.CG only 0.000 apart, marking (T0375)W223.CG as missing WARNING: atoms too close: (T0375)V168.CG1 and (T0375)W223.CG only 0.000 apart, marking (T0375)W223.CG as missing WARNING: atoms too close: (T0375)V166.CG1 and (T0375)W223.CG only 0.000 apart, marking (T0375)W223.CG as missing WARNING: atoms too close: (T0375)N100.CG and (T0375)W223.CG only 0.000 apart, marking (T0375)W223.CG as missing WARNING: atoms too close: (T0375)I99.CG1 and (T0375)W223.CG only 0.000 apart, marking (T0375)W223.CG as missing WARNING: atoms too close: (T0375)I98.CG1 and (T0375)W223.CG only 0.000 apart, marking (T0375)W223.CG as missing WARNING: atoms too close: (T0375)V97.CG1 and (T0375)W223.CG only 0.000 apart, marking (T0375)W223.CG as missing WARNING: atoms too close: (T0375)A222.O and (T0375)W223.O only 0.000 apart, marking (T0375)W223.O as missing WARNING: atoms too close: (T0375)C221.O and (T0375)W223.O only 0.000 apart, marking (T0375)W223.O as missing WARNING: atoms too close: (T0375)V220.O and (T0375)W223.O only 0.000 apart, marking (T0375)W223.O as missing WARNING: atoms too close: (T0375)G198.O and (T0375)W223.O only 0.000 apart, marking (T0375)W223.O as missing WARNING: atoms too close: (T0375)L197.O and (T0375)W223.O only 0.000 apart, marking (T0375)W223.O as missing WARNING: atoms too close: (T0375)R174.O and (T0375)W223.O only 0.000 apart, marking (T0375)W223.O as missing WARNING: atoms too close: (T0375)P173.O and (T0375)W223.O only 0.000 apart, marking (T0375)W223.O as missing WARNING: atoms too close: (T0375)K172.O and (T0375)W223.O only 0.000 apart, marking (T0375)W223.O as missing WARNING: atoms too close: (T0375)E171.O and (T0375)W223.O only 0.000 apart, marking (T0375)W223.O as missing WARNING: atoms too close: (T0375)V170.O and (T0375)W223.O only 0.000 apart, marking (T0375)W223.O as missing WARNING: atoms too close: (T0375)E169.O and (T0375)W223.O only 0.000 apart, marking (T0375)W223.O as missing WARNING: atoms too close: (T0375)V168.O and (T0375)W223.O only 0.000 apart, marking (T0375)W223.O as missing WARNING: atoms too close: (T0375)S167.O and (T0375)W223.O only 0.000 apart, marking (T0375)W223.O as missing WARNING: atoms too close: (T0375)V166.O and (T0375)W223.O only 0.000 apart, marking (T0375)W223.O as missing WARNING: atoms too close: (T0375)N100.O and (T0375)W223.O only 0.000 apart, marking (T0375)W223.O as missing WARNING: atoms too close: (T0375)I99.O and (T0375)W223.O only 0.000 apart, marking (T0375)W223.O as missing WARNING: atoms too close: (T0375)I98.O and (T0375)W223.O only 0.000 apart, marking (T0375)W223.O as missing WARNING: atoms too close: (T0375)V97.O and (T0375)W223.O only 0.000 apart, marking (T0375)W223.O as missing WARNING: atoms too close: (T0375)A222.C and (T0375)W223.C only 0.000 apart, marking (T0375)W223.C as missing WARNING: atoms too close: (T0375)C221.C and (T0375)W223.C only 0.000 apart, marking (T0375)W223.C as missing WARNING: atoms too close: (T0375)V220.C and (T0375)W223.C only 0.000 apart, marking (T0375)W223.C as missing WARNING: atoms too close: (T0375)G198.C and (T0375)W223.C only 0.000 apart, marking (T0375)W223.C as missing WARNING: atoms too close: (T0375)L197.C and (T0375)W223.C only 0.000 apart, marking (T0375)W223.C as missing WARNING: atoms too close: (T0375)R174.C and (T0375)W223.C only 0.000 apart, marking (T0375)W223.C as missing WARNING: atoms too close: (T0375)P173.C and (T0375)W223.C only 0.000 apart, marking (T0375)W223.C as missing WARNING: atoms too close: (T0375)K172.C and (T0375)W223.C only 0.000 apart, marking (T0375)W223.C as missing WARNING: atoms too close: (T0375)E171.C and (T0375)W223.C only 0.000 apart, marking (T0375)W223.C as missing WARNING: atoms too close: (T0375)V170.C and (T0375)W223.C only 0.000 apart, marking (T0375)W223.C as missing WARNING: atoms too close: (T0375)E169.C and (T0375)W223.C only 0.000 apart, marking (T0375)W223.C as missing WARNING: atoms too close: (T0375)V168.C and (T0375)W223.C only 0.000 apart, marking (T0375)W223.C as missing WARNING: atoms too close: (T0375)S167.C and (T0375)W223.C only 0.000 apart, marking (T0375)W223.C as missing WARNING: atoms too close: (T0375)V166.C and (T0375)W223.C only 0.000 apart, marking (T0375)W223.C as missing WARNING: atoms too close: (T0375)N100.C and (T0375)W223.C only 0.000 apart, marking (T0375)W223.C as missing WARNING: atoms too close: (T0375)I99.C and (T0375)W223.C only 0.000 apart, marking (T0375)W223.C as missing WARNING: atoms too close: (T0375)I98.C and (T0375)W223.C only 0.000 apart, marking (T0375)W223.C as missing WARNING: atoms too close: (T0375)V97.C and (T0375)W223.C only 0.000 apart, marking (T0375)W223.C as missing WARNING: atoms too close: (T0375)W223.N and (T0375)A224.N only 0.000 apart, marking (T0375)W223.N as missing WARNING: atoms too close: (T0375)A222.N and (T0375)A224.N only 0.000 apart, marking (T0375)A222.N as missing WARNING: atoms too close: (T0375)C221.N and (T0375)A224.N only 0.000 apart, marking (T0375)C221.N as missing WARNING: atoms too close: (T0375)V220.N and (T0375)A224.N only 0.000 apart, marking (T0375)V220.N as missing WARNING: atoms too close: (T0375)G198.N and (T0375)A224.N only 0.000 apart, marking (T0375)G198.N as missing WARNING: atoms too close: (T0375)L197.N and (T0375)A224.N only 0.000 apart, marking (T0375)L197.N as missing WARNING: atoms too close: (T0375)R174.N and (T0375)A224.N only 0.000 apart, marking (T0375)R174.N as missing WARNING: atoms too close: (T0375)P173.N and (T0375)A224.N only 0.000 apart, marking (T0375)P173.N as missing WARNING: atoms too close: (T0375)K172.N and (T0375)A224.N only 0.000 apart, marking (T0375)K172.N as missing WARNING: atoms too close: (T0375)E171.N and (T0375)A224.N only 0.000 apart, marking (T0375)E171.N as missing WARNING: atoms too close: (T0375)V170.N and (T0375)A224.N only 0.000 apart, marking (T0375)V170.N as missing WARNING: atoms too close: (T0375)E169.N and (T0375)A224.N only 0.000 apart, marking (T0375)E169.N as missing WARNING: atoms too close: (T0375)V168.N and (T0375)A224.N only 0.000 apart, marking (T0375)V168.N as missing WARNING: atoms too close: (T0375)S167.N and (T0375)A224.N only 0.000 apart, marking (T0375)S167.N as missing WARNING: atoms too close: (T0375)V166.N and (T0375)A224.N only 0.000 apart, marking (T0375)V166.N as missing WARNING: atoms too close: (T0375)N100.N and (T0375)A224.N only 0.000 apart, marking (T0375)N100.N as missing WARNING: atoms too close: (T0375)I99.N and (T0375)A224.N only 0.000 apart, marking (T0375)I99.N as missing WARNING: atoms too close: (T0375)I98.N and (T0375)A224.N only 0.000 apart, marking (T0375)I98.N as missing WARNING: atoms too close: (T0375)V97.N and (T0375)A224.N only 0.000 apart, marking (T0375)A224.N as missing WARNING: atoms too close: (T0375)W223.CA and (T0375)A224.CA only 0.000 apart, marking (T0375)A224.CA as missing WARNING: atoms too close: (T0375)A222.CA and (T0375)A224.CA only 0.000 apart, marking (T0375)A224.CA as missing WARNING: atoms too close: (T0375)C221.CA and (T0375)A224.CA only 0.000 apart, marking (T0375)A224.CA as missing WARNING: atoms too close: (T0375)V220.CA and (T0375)A224.CA only 0.000 apart, marking (T0375)A224.CA as missing WARNING: atoms too close: (T0375)G198.CA and (T0375)A224.CA only 0.000 apart, marking (T0375)A224.CA as missing WARNING: atoms too close: (T0375)L197.CA and (T0375)A224.CA only 0.000 apart, marking (T0375)A224.CA as missing WARNING: atoms too close: (T0375)R174.CA and (T0375)A224.CA only 0.000 apart, marking (T0375)A224.CA as missing WARNING: atoms too close: (T0375)P173.CA and (T0375)A224.CA only 0.000 apart, marking (T0375)A224.CA as missing WARNING: atoms too close: (T0375)K172.CA and (T0375)A224.CA only 0.000 apart, marking (T0375)A224.CA as missing WARNING: atoms too close: (T0375)E171.CA and (T0375)A224.CA only 0.000 apart, marking (T0375)A224.CA as missing WARNING: atoms too close: (T0375)V170.CA and (T0375)A224.CA only 0.000 apart, marking (T0375)A224.CA as missing WARNING: atoms too close: (T0375)E169.CA and (T0375)A224.CA only 0.000 apart, marking (T0375)A224.CA as missing WARNING: atoms too close: (T0375)V168.CA and (T0375)A224.CA only 0.000 apart, marking (T0375)A224.CA as missing WARNING: atoms too close: (T0375)S167.CA and (T0375)A224.CA only 0.000 apart, marking (T0375)A224.CA as missing WARNING: atoms too close: (T0375)V166.CA and (T0375)A224.CA only 0.000 apart, marking (T0375)A224.CA as missing WARNING: atoms too close: (T0375)N100.CA and (T0375)A224.CA only 0.000 apart, marking (T0375)A224.CA as missing WARNING: atoms too close: (T0375)I99.CA and (T0375)A224.CA only 0.000 apart, marking (T0375)A224.CA as missing WARNING: atoms too close: (T0375)I98.CA and (T0375)A224.CA only 0.000 apart, marking (T0375)A224.CA as missing WARNING: atoms too close: (T0375)V97.CA and (T0375)A224.CA only 0.000 apart, marking (T0375)A224.CA as missing WARNING: atoms too close: (T0375)W223.CB and (T0375)A224.CB only 0.000 apart, marking (T0375)A224.CB as missing WARNING: atoms too close: (T0375)A222.CB and (T0375)A224.CB only 0.000 apart, marking (T0375)A224.CB as missing WARNING: atoms too close: (T0375)C221.CB and (T0375)A224.CB only 0.000 apart, marking (T0375)A224.CB as missing WARNING: atoms too close: (T0375)V220.CB and (T0375)A224.CB only 0.000 apart, marking (T0375)A224.CB as missing WARNING: atoms too close: (T0375)L197.CB and (T0375)A224.CB only 0.000 apart, marking (T0375)A224.CB as missing WARNING: atoms too close: (T0375)R174.CB and (T0375)A224.CB only 0.000 apart, marking (T0375)A224.CB as missing WARNING: atoms too close: (T0375)P173.CB and (T0375)A224.CB only 0.000 apart, marking (T0375)A224.CB as missing WARNING: atoms too close: (T0375)K172.CB and (T0375)A224.CB only 0.000 apart, marking (T0375)A224.CB as missing WARNING: atoms too close: (T0375)E171.CB and (T0375)A224.CB only 0.000 apart, marking (T0375)A224.CB as missing WARNING: atoms too close: (T0375)V170.CB and (T0375)A224.CB only 0.000 apart, marking (T0375)A224.CB as missing WARNING: atoms too close: (T0375)E169.CB and (T0375)A224.CB only 0.000 apart, marking (T0375)A224.CB as missing WARNING: atoms too close: (T0375)V168.CB and (T0375)A224.CB only 0.000 apart, marking (T0375)A224.CB as missing WARNING: atoms too close: (T0375)S167.CB and (T0375)A224.CB only 0.000 apart, marking (T0375)A224.CB as missing WARNING: atoms too close: (T0375)V166.CB and (T0375)A224.CB only 0.000 apart, marking (T0375)A224.CB as missing WARNING: atoms too close: (T0375)N100.CB and (T0375)A224.CB only 0.000 apart, marking (T0375)A224.CB as missing WARNING: atoms too close: (T0375)I99.CB and (T0375)A224.CB only 0.000 apart, marking (T0375)A224.CB as missing WARNING: atoms too close: (T0375)I98.CB and (T0375)A224.CB only 0.000 apart, marking (T0375)A224.CB as missing WARNING: atoms too close: (T0375)V97.CB and (T0375)A224.CB only 0.000 apart, marking (T0375)A224.CB as missing WARNING: atoms too close: (T0375)W223.O and (T0375)A224.O only 0.000 apart, marking (T0375)A224.O as missing WARNING: atoms too close: (T0375)A222.O and (T0375)A224.O only 0.000 apart, marking (T0375)A224.O as missing WARNING: atoms too close: (T0375)C221.O and (T0375)A224.O only 0.000 apart, marking (T0375)A224.O as missing WARNING: atoms too close: (T0375)V220.O and (T0375)A224.O only 0.000 apart, marking (T0375)A224.O as missing WARNING: atoms too close: (T0375)G198.O and (T0375)A224.O only 0.000 apart, marking (T0375)A224.O as missing WARNING: atoms too close: (T0375)L197.O and (T0375)A224.O only 0.000 apart, marking (T0375)A224.O as missing WARNING: atoms too close: (T0375)R174.O and (T0375)A224.O only 0.000 apart, marking (T0375)A224.O as missing WARNING: atoms too close: (T0375)P173.O and (T0375)A224.O only 0.000 apart, marking (T0375)A224.O as missing WARNING: atoms too close: (T0375)K172.O and (T0375)A224.O only 0.000 apart, marking (T0375)A224.O as missing WARNING: atoms too close: (T0375)E171.O and (T0375)A224.O only 0.000 apart, marking (T0375)A224.O as missing WARNING: atoms too close: (T0375)V170.O and (T0375)A224.O only 0.000 apart, marking (T0375)A224.O as missing WARNING: atoms too close: (T0375)E169.O and (T0375)A224.O only 0.000 apart, marking (T0375)A224.O as missing WARNING: atoms too close: (T0375)V168.O and (T0375)A224.O only 0.000 apart, marking (T0375)A224.O as missing WARNING: atoms too close: (T0375)S167.O and (T0375)A224.O only 0.000 apart, marking (T0375)A224.O as missing WARNING: atoms too close: (T0375)V166.O and (T0375)A224.O only 0.000 apart, marking (T0375)A224.O as missing WARNING: atoms too close: (T0375)N100.O and (T0375)A224.O only 0.000 apart, marking (T0375)A224.O as missing WARNING: atoms too close: (T0375)I99.O and (T0375)A224.O only 0.000 apart, marking (T0375)A224.O as missing WARNING: atoms too close: (T0375)I98.O and (T0375)A224.O only 0.000 apart, marking (T0375)A224.O as missing WARNING: atoms too close: (T0375)V97.O and (T0375)A224.O only 0.000 apart, marking (T0375)A224.O as missing WARNING: atoms too close: (T0375)W223.C and (T0375)A224.C only 0.000 apart, marking (T0375)A224.C as missing WARNING: atoms too close: (T0375)A222.C and (T0375)A224.C only 0.000 apart, marking (T0375)A224.C as missing WARNING: atoms too close: (T0375)C221.C and (T0375)A224.C only 0.000 apart, marking (T0375)A224.C as missing WARNING: atoms too close: (T0375)V220.C and (T0375)A224.C only 0.000 apart, marking (T0375)A224.C as missing WARNING: atoms too close: (T0375)G198.C and (T0375)A224.C only 0.000 apart, marking (T0375)A224.C as missing WARNING: atoms too close: (T0375)L197.C and (T0375)A224.C only 0.000 apart, marking (T0375)A224.C as missing WARNING: atoms too close: (T0375)R174.C and (T0375)A224.C only 0.000 apart, marking (T0375)A224.C as missing WARNING: atoms too close: (T0375)P173.C and (T0375)A224.C only 0.000 apart, marking (T0375)A224.C as missing WARNING: atoms too close: (T0375)K172.C and (T0375)A224.C only 0.000 apart, marking (T0375)A224.C as missing WARNING: atoms too close: (T0375)E171.C and (T0375)A224.C only 0.000 apart, marking (T0375)A224.C as missing WARNING: atoms too close: (T0375)V170.C and (T0375)A224.C only 0.000 apart, marking (T0375)A224.C as missing WARNING: atoms too close: (T0375)E169.C and (T0375)A224.C only 0.000 apart, marking (T0375)A224.C as missing WARNING: atoms too close: (T0375)V168.C and (T0375)A224.C only 0.000 apart, marking (T0375)A224.C as missing WARNING: atoms too close: (T0375)S167.C and (T0375)A224.C only 0.000 apart, marking (T0375)A224.C as missing WARNING: atoms too close: (T0375)V166.C and (T0375)A224.C only 0.000 apart, marking (T0375)A224.C as missing WARNING: atoms too close: (T0375)N100.C and (T0375)A224.C only 0.000 apart, marking (T0375)A224.C as missing WARNING: atoms too close: (T0375)I99.C and (T0375)A224.C only 0.000 apart, marking (T0375)A224.C as missing WARNING: atoms too close: (T0375)I98.C and (T0375)A224.C only 0.000 apart, marking (T0375)A224.C as missing WARNING: atoms too close: (T0375)V97.C and (T0375)A224.C only 0.000 apart, marking (T0375)A224.C as missing WARNING: atoms too close: (T0375)A224.N and (T0375)E225.N only 0.000 apart, marking (T0375)A224.N as missing WARNING: atoms too close: (T0375)W223.N and (T0375)E225.N only 0.000 apart, marking (T0375)W223.N as missing WARNING: atoms too close: (T0375)A222.N and (T0375)E225.N only 0.000 apart, marking (T0375)A222.N as missing WARNING: atoms too close: (T0375)C221.N and (T0375)E225.N only 0.000 apart, marking (T0375)C221.N as missing WARNING: atoms too close: (T0375)V220.N and (T0375)E225.N only 0.000 apart, marking (T0375)V220.N as missing WARNING: atoms too close: (T0375)G198.N and (T0375)E225.N only 0.000 apart, marking (T0375)G198.N as missing WARNING: atoms too close: (T0375)L197.N and (T0375)E225.N only 0.000 apart, marking (T0375)L197.N as missing WARNING: atoms too close: (T0375)R174.N and (T0375)E225.N only 0.000 apart, marking (T0375)R174.N as missing WARNING: atoms too close: (T0375)P173.N and (T0375)E225.N only 0.000 apart, marking (T0375)P173.N as missing WARNING: atoms too close: (T0375)K172.N and (T0375)E225.N only 0.000 apart, marking (T0375)K172.N as missing WARNING: atoms too close: (T0375)E171.N and (T0375)E225.N only 0.000 apart, marking (T0375)E171.N as missing WARNING: atoms too close: (T0375)V170.N and (T0375)E225.N only 0.000 apart, marking (T0375)V170.N as missing WARNING: atoms too close: (T0375)E169.N and (T0375)E225.N only 0.000 apart, marking (T0375)E169.N as missing WARNING: atoms too close: (T0375)V168.N and (T0375)E225.N only 0.000 apart, marking (T0375)V168.N as missing WARNING: atoms too close: (T0375)S167.N and (T0375)E225.N only 0.000 apart, marking (T0375)S167.N as missing WARNING: atoms too close: (T0375)V166.N and (T0375)E225.N only 0.000 apart, marking (T0375)V166.N as missing WARNING: atoms too close: (T0375)N100.N and (T0375)E225.N only 0.000 apart, marking (T0375)N100.N as missing WARNING: atoms too close: (T0375)I99.N and (T0375)E225.N only 0.000 apart, marking (T0375)I99.N as missing WARNING: atoms too close: (T0375)I98.N and (T0375)E225.N only 0.000 apart, marking (T0375)I98.N as missing WARNING: atoms too close: (T0375)V97.N and (T0375)E225.N only 0.000 apart, marking (T0375)E225.N as missing WARNING: atoms too close: (T0375)A224.CA and (T0375)E225.CA only 0.000 apart, marking (T0375)E225.CA as missing WARNING: atoms too close: (T0375)W223.CA and (T0375)E225.CA only 0.000 apart, marking (T0375)E225.CA as missing WARNING: atoms too close: (T0375)A222.CA and (T0375)E225.CA only 0.000 apart, marking (T0375)E225.CA as missing WARNING: atoms too close: (T0375)C221.CA and (T0375)E225.CA only 0.000 apart, marking (T0375)E225.CA as missing WARNING: atoms too close: (T0375)V220.CA and (T0375)E225.CA only 0.000 apart, marking (T0375)E225.CA as missing WARNING: atoms too close: (T0375)G198.CA and (T0375)E225.CA only 0.000 apart, marking (T0375)E225.CA as missing WARNING: atoms too close: (T0375)L197.CA and (T0375)E225.CA only 0.000 apart, marking (T0375)E225.CA as missing WARNING: atoms too close: (T0375)R174.CA and (T0375)E225.CA only 0.000 apart, marking (T0375)E225.CA as missing WARNING: atoms too close: (T0375)P173.CA and (T0375)E225.CA only 0.000 apart, marking (T0375)E225.CA as missing WARNING: atoms too close: (T0375)K172.CA and (T0375)E225.CA only 0.000 apart, marking (T0375)E225.CA as missing WARNING: atoms too close: (T0375)E171.CA and (T0375)E225.CA only 0.000 apart, marking (T0375)E225.CA as missing WARNING: atoms too close: (T0375)V170.CA and (T0375)E225.CA only 0.000 apart, marking (T0375)E225.CA as missing WARNING: atoms too close: (T0375)E169.CA and (T0375)E225.CA only 0.000 apart, marking (T0375)E225.CA as missing WARNING: atoms too close: (T0375)V168.CA and (T0375)E225.CA only 0.000 apart, marking (T0375)E225.CA as missing WARNING: atoms too close: (T0375)S167.CA and (T0375)E225.CA only 0.000 apart, marking (T0375)E225.CA as missing WARNING: atoms too close: (T0375)V166.CA and (T0375)E225.CA only 0.000 apart, marking (T0375)E225.CA as missing WARNING: atoms too close: (T0375)N100.CA and (T0375)E225.CA only 0.000 apart, marking (T0375)E225.CA as missing WARNING: atoms too close: (T0375)I99.CA and (T0375)E225.CA only 0.000 apart, marking (T0375)E225.CA as missing WARNING: atoms too close: (T0375)I98.CA and (T0375)E225.CA only 0.000 apart, marking (T0375)E225.CA as missing WARNING: atoms too close: (T0375)V97.CA and (T0375)E225.CA only 0.000 apart, marking (T0375)E225.CA as missing WARNING: atoms too close: (T0375)A224.CB and (T0375)E225.CB only 0.000 apart, marking (T0375)E225.CB as missing WARNING: atoms too close: (T0375)W223.CB and (T0375)E225.CB only 0.000 apart, marking (T0375)E225.CB as missing WARNING: atoms too close: (T0375)A222.CB and (T0375)E225.CB only 0.000 apart, marking (T0375)E225.CB as missing WARNING: atoms too close: (T0375)C221.CB and (T0375)E225.CB only 0.000 apart, marking (T0375)E225.CB as missing WARNING: atoms too close: (T0375)V220.CB and (T0375)E225.CB only 0.000 apart, marking (T0375)E225.CB as missing WARNING: atoms too close: (T0375)L197.CB and (T0375)E225.CB only 0.000 apart, marking (T0375)E225.CB as missing WARNING: atoms too close: (T0375)R174.CB and (T0375)E225.CB only 0.000 apart, marking (T0375)E225.CB as missing WARNING: atoms too close: (T0375)P173.CB and (T0375)E225.CB only 0.000 apart, marking (T0375)E225.CB as missing WARNING: atoms too close: (T0375)K172.CB and (T0375)E225.CB only 0.000 apart, marking (T0375)E225.CB as missing WARNING: atoms too close: (T0375)E171.CB and (T0375)E225.CB only 0.000 apart, marking (T0375)E225.CB as missing WARNING: atoms too close: (T0375)V170.CB and (T0375)E225.CB only 0.000 apart, marking (T0375)E225.CB as missing WARNING: atoms too close: (T0375)E169.CB and (T0375)E225.CB only 0.000 apart, marking (T0375)E225.CB as missing WARNING: atoms too close: (T0375)V168.CB and (T0375)E225.CB only 0.000 apart, marking (T0375)E225.CB as missing WARNING: atoms too close: (T0375)S167.CB and (T0375)E225.CB only 0.000 apart, marking (T0375)E225.CB as missing WARNING: atoms too close: (T0375)V166.CB and (T0375)E225.CB only 0.000 apart, marking (T0375)E225.CB as missing WARNING: atoms too close: (T0375)N100.CB and (T0375)E225.CB only 0.000 apart, marking (T0375)E225.CB as missing WARNING: atoms too close: (T0375)I99.CB and (T0375)E225.CB only 0.000 apart, marking (T0375)E225.CB as missing WARNING: atoms too close: (T0375)I98.CB and (T0375)E225.CB only 0.000 apart, marking (T0375)E225.CB as missing WARNING: atoms too close: (T0375)V97.CB and (T0375)E225.CB only 0.000 apart, marking (T0375)E225.CB as missing WARNING: atoms too close: (T0375)W223.CG and (T0375)E225.CG only 0.000 apart, marking (T0375)E225.CG as missing WARNING: atoms too close: (T0375)V220.CG1 and (T0375)E225.CG only 0.000 apart, marking (T0375)E225.CG as missing WARNING: atoms too close: (T0375)L197.CG and (T0375)E225.CG only 0.000 apart, marking (T0375)E225.CG as missing WARNING: atoms too close: (T0375)R174.CG and (T0375)E225.CG only 0.000 apart, marking (T0375)E225.CG as missing WARNING: atoms too close: (T0375)K172.CG and (T0375)E225.CG only 0.000 apart, marking (T0375)E225.CG as missing WARNING: atoms too close: (T0375)E171.CG and (T0375)E225.CG only 0.000 apart, marking (T0375)E225.CG as missing WARNING: atoms too close: (T0375)V170.CG1 and (T0375)E225.CG only 0.000 apart, marking (T0375)E225.CG as missing WARNING: atoms too close: (T0375)E169.CG and (T0375)E225.CG only 0.000 apart, marking (T0375)E225.CG as missing WARNING: atoms too close: (T0375)V168.CG1 and (T0375)E225.CG only 0.000 apart, marking (T0375)E225.CG as missing WARNING: atoms too close: (T0375)V166.CG1 and (T0375)E225.CG only 0.000 apart, marking (T0375)E225.CG as missing WARNING: atoms too close: (T0375)N100.CG and (T0375)E225.CG only 0.000 apart, marking (T0375)E225.CG as missing WARNING: atoms too close: (T0375)I99.CG1 and (T0375)E225.CG only 0.000 apart, marking (T0375)E225.CG as missing WARNING: atoms too close: (T0375)I98.CG1 and (T0375)E225.CG only 0.000 apart, marking (T0375)E225.CG as missing WARNING: atoms too close: (T0375)V97.CG1 and (T0375)E225.CG only 0.000 apart, marking (T0375)E225.CG as missing WARNING: atoms too close: (T0375)A224.O and (T0375)E225.O only 0.000 apart, marking (T0375)E225.O as missing WARNING: atoms too close: (T0375)W223.O and (T0375)E225.O only 0.000 apart, marking (T0375)E225.O as missing WARNING: atoms too close: (T0375)A222.O and (T0375)E225.O only 0.000 apart, marking (T0375)E225.O as missing WARNING: atoms too close: (T0375)C221.O and (T0375)E225.O only 0.000 apart, marking (T0375)E225.O as missing WARNING: atoms too close: (T0375)V220.O and (T0375)E225.O only 0.000 apart, marking (T0375)E225.O as missing WARNING: atoms too close: (T0375)G198.O and (T0375)E225.O only 0.000 apart, marking (T0375)E225.O as missing WARNING: atoms too close: (T0375)L197.O and (T0375)E225.O only 0.000 apart, marking (T0375)E225.O as missing WARNING: atoms too close: (T0375)R174.O and (T0375)E225.O only 0.000 apart, marking (T0375)E225.O as missing WARNING: atoms too close: (T0375)P173.O and (T0375)E225.O only 0.000 apart, marking (T0375)E225.O as missing WARNING: atoms too close: (T0375)K172.O and (T0375)E225.O only 0.000 apart, marking (T0375)E225.O as missing WARNING: atoms too close: (T0375)E171.O and (T0375)E225.O only 0.000 apart, marking (T0375)E225.O as missing WARNING: atoms too close: (T0375)V170.O and (T0375)E225.O only 0.000 apart, marking (T0375)E225.O as missing WARNING: atoms too close: (T0375)E169.O and (T0375)E225.O only 0.000 apart, marking (T0375)E225.O as missing WARNING: atoms too close: (T0375)V168.O and (T0375)E225.O only 0.000 apart, marking (T0375)E225.O as missing WARNING: atoms too close: (T0375)S167.O and (T0375)E225.O only 0.000 apart, marking (T0375)E225.O as missing WARNING: atoms too close: (T0375)V166.O and (T0375)E225.O only 0.000 apart, marking (T0375)E225.O as missing WARNING: atoms too close: (T0375)N100.O and (T0375)E225.O only 0.000 apart, marking (T0375)E225.O as missing WARNING: atoms too close: (T0375)I99.O and (T0375)E225.O only 0.000 apart, marking (T0375)E225.O as missing WARNING: atoms too close: (T0375)I98.O and (T0375)E225.O only 0.000 apart, marking (T0375)E225.O as missing WARNING: atoms too close: (T0375)V97.O and (T0375)E225.O only 0.000 apart, marking (T0375)E225.O as missing WARNING: atoms too close: (T0375)A224.C and (T0375)E225.C only 0.000 apart, marking (T0375)E225.C as missing WARNING: atoms too close: (T0375)W223.C and (T0375)E225.C only 0.000 apart, marking (T0375)E225.C as missing WARNING: atoms too close: (T0375)A222.C and (T0375)E225.C only 0.000 apart, marking (T0375)E225.C as missing WARNING: atoms too close: (T0375)C221.C and (T0375)E225.C only 0.000 apart, marking (T0375)E225.C as missing WARNING: atoms too close: (T0375)V220.C and (T0375)E225.C only 0.000 apart, marking (T0375)E225.C as missing WARNING: atoms too close: (T0375)G198.C and (T0375)E225.C only 0.000 apart, marking (T0375)E225.C as missing WARNING: atoms too close: (T0375)L197.C and (T0375)E225.C only 0.000 apart, marking (T0375)E225.C as missing WARNING: atoms too close: (T0375)R174.C and (T0375)E225.C only 0.000 apart, marking (T0375)E225.C as missing WARNING: atoms too close: (T0375)P173.C and (T0375)E225.C only 0.000 apart, marking (T0375)E225.C as missing WARNING: atoms too close: (T0375)K172.C and (T0375)E225.C only 0.000 apart, marking (T0375)E225.C as missing WARNING: atoms too close: (T0375)E171.C and (T0375)E225.C only 0.000 apart, marking (T0375)E225.C as missing WARNING: atoms too close: (T0375)V170.C and (T0375)E225.C only 0.000 apart, marking (T0375)E225.C as missing WARNING: atoms too close: (T0375)E169.C and (T0375)E225.C only 0.000 apart, marking (T0375)E225.C as missing WARNING: atoms too close: (T0375)V168.C and (T0375)E225.C only 0.000 apart, marking (T0375)E225.C as missing WARNING: atoms too close: (T0375)S167.C and (T0375)E225.C only 0.000 apart, marking (T0375)E225.C as missing WARNING: atoms too close: (T0375)V166.C and (T0375)E225.C only 0.000 apart, marking (T0375)E225.C as missing WARNING: atoms too close: (T0375)N100.C and (T0375)E225.C only 0.000 apart, marking (T0375)E225.C as missing WARNING: atoms too close: (T0375)I99.C and (T0375)E225.C only 0.000 apart, marking (T0375)E225.C as missing WARNING: atoms too close: (T0375)I98.C and (T0375)E225.C only 0.000 apart, marking (T0375)E225.C as missing WARNING: atoms too close: (T0375)V97.C and (T0375)E225.C only 0.000 apart, marking (T0375)E225.C as missing WARNING: atoms too close: (T0375)E225.N and (T0375)E226.N only 0.000 apart, marking (T0375)E225.N as missing WARNING: atoms too close: (T0375)A224.N and (T0375)E226.N only 0.000 apart, marking (T0375)A224.N as missing WARNING: atoms too close: (T0375)W223.N and (T0375)E226.N only 0.000 apart, marking (T0375)W223.N as missing WARNING: atoms too close: (T0375)A222.N and (T0375)E226.N only 0.000 apart, marking (T0375)A222.N as missing WARNING: atoms too close: (T0375)C221.N and (T0375)E226.N only 0.000 apart, marking (T0375)C221.N as missing WARNING: atoms too close: (T0375)V220.N and (T0375)E226.N only 0.000 apart, marking (T0375)V220.N as missing WARNING: atoms too close: (T0375)G198.N and (T0375)E226.N only 0.000 apart, marking (T0375)G198.N as missing WARNING: atoms too close: (T0375)L197.N and (T0375)E226.N only 0.000 apart, marking (T0375)L197.N as missing WARNING: atoms too close: (T0375)R174.N and (T0375)E226.N only 0.000 apart, marking (T0375)R174.N as missing WARNING: atoms too close: (T0375)P173.N and (T0375)E226.N only 0.000 apart, marking (T0375)P173.N as missing WARNING: atoms too close: (T0375)K172.N and (T0375)E226.N only 0.000 apart, marking (T0375)K172.N as missing WARNING: atoms too close: (T0375)E171.N and (T0375)E226.N only 0.000 apart, marking (T0375)E171.N as missing WARNING: atoms too close: (T0375)V170.N and (T0375)E226.N only 0.000 apart, marking (T0375)V170.N as missing WARNING: atoms too close: (T0375)E169.N and (T0375)E226.N only 0.000 apart, marking (T0375)E169.N as missing WARNING: atoms too close: (T0375)V168.N and (T0375)E226.N only 0.000 apart, marking (T0375)V168.N as missing WARNING: atoms too close: (T0375)S167.N and (T0375)E226.N only 0.000 apart, marking (T0375)S167.N as missing WARNING: atoms too close: (T0375)V166.N and (T0375)E226.N only 0.000 apart, marking (T0375)V166.N as missing WARNING: atoms too close: (T0375)N100.N and (T0375)E226.N only 0.000 apart, marking (T0375)N100.N as missing WARNING: atoms too close: (T0375)I99.N and (T0375)E226.N only 0.000 apart, marking (T0375)I99.N as missing WARNING: atoms too close: (T0375)I98.N and (T0375)E226.N only 0.000 apart, marking (T0375)I98.N as missing WARNING: atoms too close: (T0375)V97.N and (T0375)E226.N only 0.000 apart, marking (T0375)E226.N as missing WARNING: atoms too close: (T0375)E225.CA and (T0375)E226.CA only 0.000 apart, marking (T0375)E226.CA as missing WARNING: atoms too close: (T0375)A224.CA and (T0375)E226.CA only 0.000 apart, marking (T0375)E226.CA as missing WARNING: atoms too close: (T0375)W223.CA and (T0375)E226.CA only 0.000 apart, marking (T0375)E226.CA as missing WARNING: atoms too close: (T0375)A222.CA and (T0375)E226.CA only 0.000 apart, marking (T0375)E226.CA as missing WARNING: atoms too close: (T0375)C221.CA and (T0375)E226.CA only 0.000 apart, marking (T0375)E226.CA as missing WARNING: atoms too close: (T0375)V220.CA and (T0375)E226.CA only 0.000 apart, marking (T0375)E226.CA as missing WARNING: atoms too close: (T0375)G198.CA and (T0375)E226.CA only 0.000 apart, marking (T0375)E226.CA as missing WARNING: atoms too close: (T0375)L197.CA and (T0375)E226.CA only 0.000 apart, marking (T0375)E226.CA as missing WARNING: atoms too close: (T0375)R174.CA and (T0375)E226.CA only 0.000 apart, marking (T0375)E226.CA as missing WARNING: atoms too close: (T0375)P173.CA and (T0375)E226.CA only 0.000 apart, marking (T0375)E226.CA as missing WARNING: atoms too close: (T0375)K172.CA and (T0375)E226.CA only 0.000 apart, marking (T0375)E226.CA as missing WARNING: atoms too close: (T0375)E171.CA and (T0375)E226.CA only 0.000 apart, marking (T0375)E226.CA as missing WARNING: atoms too close: (T0375)V170.CA and (T0375)E226.CA only 0.000 apart, marking (T0375)E226.CA as missing WARNING: atoms too close: (T0375)E169.CA and (T0375)E226.CA only 0.000 apart, marking (T0375)E226.CA as missing WARNING: atoms too close: (T0375)V168.CA and (T0375)E226.CA only 0.000 apart, marking (T0375)E226.CA as missing WARNING: atoms too close: (T0375)S167.CA and (T0375)E226.CA only 0.000 apart, marking (T0375)E226.CA as missing WARNING: atoms too close: (T0375)V166.CA and (T0375)E226.CA only 0.000 apart, marking (T0375)E226.CA as missing WARNING: atoms too close: (T0375)N100.CA and (T0375)E226.CA only 0.000 apart, marking (T0375)E226.CA as missing WARNING: atoms too close: (T0375)I99.CA and (T0375)E226.CA only 0.000 apart, marking (T0375)E226.CA as missing WARNING: atoms too close: (T0375)I98.CA and (T0375)E226.CA only 0.000 apart, marking (T0375)E226.CA as missing WARNING: atoms too close: (T0375)V97.CA and (T0375)E226.CA only 0.000 apart, marking (T0375)E226.CA as missing WARNING: atoms too close: (T0375)E225.CB and (T0375)E226.CB only 0.000 apart, marking (T0375)E226.CB as missing WARNING: atoms too close: (T0375)A224.CB and (T0375)E226.CB only 0.000 apart, marking (T0375)E226.CB as missing WARNING: atoms too close: (T0375)W223.CB and (T0375)E226.CB only 0.000 apart, marking (T0375)E226.CB as missing WARNING: atoms too close: (T0375)A222.CB and (T0375)E226.CB only 0.000 apart, marking (T0375)E226.CB as missing WARNING: atoms too close: (T0375)C221.CB and (T0375)E226.CB only 0.000 apart, marking (T0375)E226.CB as missing WARNING: atoms too close: (T0375)V220.CB and (T0375)E226.CB only 0.000 apart, marking (T0375)E226.CB as missing WARNING: atoms too close: (T0375)L197.CB and (T0375)E226.CB only 0.000 apart, marking (T0375)E226.CB as missing WARNING: atoms too close: (T0375)R174.CB and (T0375)E226.CB only 0.000 apart, marking (T0375)E226.CB as missing WARNING: atoms too close: (T0375)P173.CB and (T0375)E226.CB only 0.000 apart, marking (T0375)E226.CB as missing WARNING: atoms too close: (T0375)K172.CB and (T0375)E226.CB only 0.000 apart, marking (T0375)E226.CB as missing WARNING: atoms too close: (T0375)E171.CB and (T0375)E226.CB only 0.000 apart, marking (T0375)E226.CB as missing WARNING: atoms too close: (T0375)V170.CB and (T0375)E226.CB only 0.000 apart, marking (T0375)E226.CB as missing WARNING: atoms too close: (T0375)E169.CB and (T0375)E226.CB only 0.000 apart, marking (T0375)E226.CB as missing WARNING: atoms too close: (T0375)V168.CB and (T0375)E226.CB only 0.000 apart, marking (T0375)E226.CB as missing WARNING: atoms too close: (T0375)S167.CB and (T0375)E226.CB only 0.000 apart, marking (T0375)E226.CB as missing WARNING: atoms too close: (T0375)V166.CB and (T0375)E226.CB only 0.000 apart, marking (T0375)E226.CB as missing WARNING: atoms too close: (T0375)N100.CB and (T0375)E226.CB only 0.000 apart, marking (T0375)E226.CB as missing WARNING: atoms too close: (T0375)I99.CB and (T0375)E226.CB only 0.000 apart, marking (T0375)E226.CB as missing WARNING: atoms too close: (T0375)I98.CB and (T0375)E226.CB only 0.000 apart, marking (T0375)E226.CB as missing WARNING: atoms too close: (T0375)V97.CB and (T0375)E226.CB only 0.000 apart, marking (T0375)E226.CB as missing WARNING: atoms too close: (T0375)E225.CG and (T0375)E226.CG only 0.000 apart, marking (T0375)E226.CG as missing WARNING: atoms too close: (T0375)W223.CG and (T0375)E226.CG only 0.000 apart, marking (T0375)E226.CG as missing WARNING: atoms too close: (T0375)V220.CG1 and (T0375)E226.CG only 0.000 apart, marking (T0375)E226.CG as missing WARNING: atoms too close: (T0375)L197.CG and (T0375)E226.CG only 0.000 apart, marking (T0375)E226.CG as missing WARNING: atoms too close: (T0375)R174.CG and (T0375)E226.CG only 0.000 apart, marking (T0375)E226.CG as missing WARNING: atoms too close: (T0375)K172.CG and (T0375)E226.CG only 0.000 apart, marking (T0375)E226.CG as missing WARNING: atoms too close: (T0375)E171.CG and (T0375)E226.CG only 0.000 apart, marking (T0375)E226.CG as missing WARNING: atoms too close: (T0375)V170.CG1 and (T0375)E226.CG only 0.000 apart, marking (T0375)E226.CG as missing WARNING: atoms too close: (T0375)E169.CG and (T0375)E226.CG only 0.000 apart, marking (T0375)E226.CG as missing WARNING: atoms too close: (T0375)V168.CG1 and (T0375)E226.CG only 0.000 apart, marking (T0375)E226.CG as missing WARNING: atoms too close: (T0375)V166.CG1 and (T0375)E226.CG only 0.000 apart, marking (T0375)E226.CG as missing WARNING: atoms too close: (T0375)N100.CG and (T0375)E226.CG only 0.000 apart, marking (T0375)E226.CG as missing WARNING: atoms too close: (T0375)I99.CG1 and (T0375)E226.CG only 0.000 apart, marking (T0375)E226.CG as missing WARNING: atoms too close: (T0375)I98.CG1 and (T0375)E226.CG only 0.000 apart, marking (T0375)E226.CG as missing WARNING: atoms too close: (T0375)V97.CG1 and (T0375)E226.CG only 0.000 apart, marking (T0375)E226.CG as missing WARNING: atoms too close: (T0375)E225.O and (T0375)E226.O only 0.000 apart, marking (T0375)E226.O as missing WARNING: atoms too close: (T0375)A224.O and (T0375)E226.O only 0.000 apart, marking (T0375)E226.O as missing WARNING: atoms too close: (T0375)W223.O and (T0375)E226.O only 0.000 apart, marking (T0375)E226.O as missing WARNING: atoms too close: (T0375)A222.O and (T0375)E226.O only 0.000 apart, marking (T0375)E226.O as missing WARNING: atoms too close: (T0375)C221.O and (T0375)E226.O only 0.000 apart, marking (T0375)E226.O as missing WARNING: atoms too close: (T0375)V220.O and (T0375)E226.O only 0.000 apart, marking (T0375)E226.O as missing WARNING: atoms too close: (T0375)G198.O and (T0375)E226.O only 0.000 apart, marking (T0375)E226.O as missing WARNING: atoms too close: (T0375)L197.O and (T0375)E226.O only 0.000 apart, marking (T0375)E226.O as missing WARNING: atoms too close: (T0375)R174.O and (T0375)E226.O only 0.000 apart, marking (T0375)E226.O as missing WARNING: atoms too close: (T0375)P173.O and (T0375)E226.O only 0.000 apart, marking (T0375)E226.O as missing WARNING: atoms too close: (T0375)K172.O and (T0375)E226.O only 0.000 apart, marking (T0375)E226.O as missing WARNING: atoms too close: (T0375)E171.O and (T0375)E226.O only 0.000 apart, marking (T0375)E226.O as missing WARNING: atoms too close: (T0375)V170.O and (T0375)E226.O only 0.000 apart, marking (T0375)E226.O as missing WARNING: atoms too close: (T0375)E169.O and (T0375)E226.O only 0.000 apart, marking (T0375)E226.O as missing WARNING: atoms too close: (T0375)V168.O and (T0375)E226.O only 0.000 apart, marking (T0375)E226.O as missing WARNING: atoms too close: (T0375)S167.O and (T0375)E226.O only 0.000 apart, marking (T0375)E226.O as missing WARNING: atoms too close: (T0375)V166.O and (T0375)E226.O only 0.000 apart, marking (T0375)E226.O as missing WARNING: atoms too close: (T0375)N100.O and (T0375)E226.O only 0.000 apart, marking (T0375)E226.O as missing WARNING: atoms too close: (T0375)I99.O and (T0375)E226.O only 0.000 apart, marking (T0375)E226.O as missing WARNING: atoms too close: (T0375)I98.O and (T0375)E226.O only 0.000 apart, marking (T0375)E226.O as missing WARNING: atoms too close: (T0375)V97.O and (T0375)E226.O only 0.000 apart, marking (T0375)E226.O as missing WARNING: atoms too close: (T0375)E225.C and (T0375)E226.C only 0.000 apart, marking (T0375)E226.C as missing WARNING: atoms too close: (T0375)A224.C and (T0375)E226.C only 0.000 apart, marking (T0375)E226.C as missing WARNING: atoms too close: (T0375)W223.C and (T0375)E226.C only 0.000 apart, marking (T0375)E226.C as missing WARNING: atoms too close: (T0375)A222.C and (T0375)E226.C only 0.000 apart, marking (T0375)E226.C as missing WARNING: atoms too close: (T0375)C221.C and (T0375)E226.C only 0.000 apart, marking (T0375)E226.C as missing WARNING: atoms too close: (T0375)V220.C and (T0375)E226.C only 0.000 apart, marking (T0375)E226.C as missing WARNING: atoms too close: (T0375)G198.C and (T0375)E226.C only 0.000 apart, marking (T0375)E226.C as missing WARNING: atoms too close: (T0375)L197.C and (T0375)E226.C only 0.000 apart, marking (T0375)E226.C as missing WARNING: atoms too close: (T0375)R174.C and (T0375)E226.C only 0.000 apart, marking (T0375)E226.C as missing WARNING: atoms too close: (T0375)P173.C and (T0375)E226.C only 0.000 apart, marking (T0375)E226.C as missing WARNING: atoms too close: (T0375)K172.C and (T0375)E226.C only 0.000 apart, marking (T0375)E226.C as missing WARNING: atoms too close: (T0375)E171.C and (T0375)E226.C only 0.000 apart, marking (T0375)E226.C as missing WARNING: atoms too close: (T0375)V170.C and (T0375)E226.C only 0.000 apart, marking (T0375)E226.C as missing WARNING: atoms too close: (T0375)E169.C and (T0375)E226.C only 0.000 apart, marking (T0375)E226.C as missing WARNING: atoms too close: (T0375)V168.C and (T0375)E226.C only 0.000 apart, marking (T0375)E226.C as missing WARNING: atoms too close: (T0375)S167.C and (T0375)E226.C only 0.000 apart, marking (T0375)E226.C as missing WARNING: atoms too close: (T0375)V166.C and (T0375)E226.C only 0.000 apart, marking (T0375)E226.C as missing WARNING: atoms too close: (T0375)N100.C and (T0375)E226.C only 0.000 apart, marking (T0375)E226.C as missing WARNING: atoms too close: (T0375)I99.C and (T0375)E226.C only 0.000 apart, marking (T0375)E226.C as missing WARNING: atoms too close: (T0375)I98.C and (T0375)E226.C only 0.000 apart, marking (T0375)E226.C as missing WARNING: atoms too close: (T0375)V97.C and (T0375)E226.C only 0.000 apart, marking (T0375)E226.C as missing WARNING: atoms too close: (T0375)E226.N and (T0375)G227.N only 0.000 apart, marking (T0375)E226.N as missing WARNING: atoms too close: (T0375)E225.N and (T0375)G227.N only 0.000 apart, marking (T0375)E225.N as missing WARNING: atoms too close: (T0375)A224.N and (T0375)G227.N only 0.000 apart, marking (T0375)A224.N as missing WARNING: atoms too close: (T0375)W223.N and (T0375)G227.N only 0.000 apart, marking (T0375)W223.N as missing WARNING: atoms too close: (T0375)A222.N and (T0375)G227.N only 0.000 apart, marking (T0375)A222.N as missing WARNING: atoms too close: (T0375)C221.N and (T0375)G227.N only 0.000 apart, marking (T0375)C221.N as missing WARNING: atoms too close: (T0375)V220.N and (T0375)G227.N only 0.000 apart, marking (T0375)V220.N as missing WARNING: atoms too close: (T0375)G198.N and (T0375)G227.N only 0.000 apart, marking (T0375)G198.N as missing WARNING: atoms too close: (T0375)L197.N and (T0375)G227.N only 0.000 apart, marking (T0375)L197.N as missing WARNING: atoms too close: (T0375)R174.N and (T0375)G227.N only 0.000 apart, marking (T0375)R174.N as missing WARNING: atoms too close: (T0375)P173.N and (T0375)G227.N only 0.000 apart, marking (T0375)P173.N as missing WARNING: atoms too close: (T0375)K172.N and (T0375)G227.N only 0.000 apart, marking (T0375)K172.N as missing WARNING: atoms too close: (T0375)E171.N and (T0375)G227.N only 0.000 apart, marking (T0375)E171.N as missing WARNING: atoms too close: (T0375)V170.N and (T0375)G227.N only 0.000 apart, marking (T0375)V170.N as missing WARNING: atoms too close: (T0375)E169.N and (T0375)G227.N only 0.000 apart, marking (T0375)E169.N as missing WARNING: atoms too close: (T0375)V168.N and (T0375)G227.N only 0.000 apart, marking (T0375)V168.N as missing WARNING: atoms too close: (T0375)S167.N and (T0375)G227.N only 0.000 apart, marking (T0375)S167.N as missing WARNING: atoms too close: (T0375)V166.N and (T0375)G227.N only 0.000 apart, marking (T0375)V166.N as missing WARNING: atoms too close: (T0375)N100.N and (T0375)G227.N only 0.000 apart, marking (T0375)N100.N as missing WARNING: atoms too close: (T0375)I99.N and (T0375)G227.N only 0.000 apart, marking (T0375)I99.N as missing WARNING: atoms too close: (T0375)I98.N and (T0375)G227.N only 0.000 apart, marking (T0375)I98.N as missing WARNING: atoms too close: (T0375)V97.N and (T0375)G227.N only 0.000 apart, marking (T0375)G227.N as missing WARNING: atoms too close: (T0375)E226.CA and (T0375)G227.CA only 0.000 apart, marking (T0375)G227.CA as missing WARNING: atoms too close: (T0375)E225.CA and (T0375)G227.CA only 0.000 apart, marking (T0375)G227.CA as missing WARNING: atoms too close: (T0375)A224.CA and (T0375)G227.CA only 0.000 apart, marking (T0375)G227.CA as missing WARNING: atoms too close: (T0375)W223.CA and (T0375)G227.CA only 0.000 apart, marking (T0375)G227.CA as missing WARNING: atoms too close: (T0375)A222.CA and (T0375)G227.CA only 0.000 apart, marking (T0375)G227.CA as missing WARNING: atoms too close: (T0375)C221.CA and (T0375)G227.CA only 0.000 apart, marking (T0375)G227.CA as missing WARNING: atoms too close: (T0375)V220.CA and (T0375)G227.CA only 0.000 apart, marking (T0375)G227.CA as missing WARNING: atoms too close: (T0375)G198.CA and (T0375)G227.CA only 0.000 apart, marking (T0375)G227.CA as missing WARNING: atoms too close: (T0375)L197.CA and (T0375)G227.CA only 0.000 apart, marking (T0375)G227.CA as missing WARNING: atoms too close: (T0375)R174.CA and (T0375)G227.CA only 0.000 apart, marking (T0375)G227.CA as missing WARNING: atoms too close: (T0375)P173.CA and (T0375)G227.CA only 0.000 apart, marking (T0375)G227.CA as missing WARNING: atoms too close: (T0375)K172.CA and (T0375)G227.CA only 0.000 apart, marking (T0375)G227.CA as missing WARNING: atoms too close: (T0375)E171.CA and (T0375)G227.CA only 0.000 apart, marking (T0375)G227.CA as missing WARNING: atoms too close: (T0375)V170.CA and (T0375)G227.CA only 0.000 apart, marking (T0375)G227.CA as missing WARNING: atoms too close: (T0375)E169.CA and (T0375)G227.CA only 0.000 apart, marking (T0375)G227.CA as missing WARNING: atoms too close: (T0375)V168.CA and (T0375)G227.CA only 0.000 apart, marking (T0375)G227.CA as missing WARNING: atoms too close: (T0375)S167.CA and (T0375)G227.CA only 0.000 apart, marking (T0375)G227.CA as missing WARNING: atoms too close: (T0375)V166.CA and (T0375)G227.CA only 0.000 apart, marking (T0375)G227.CA as missing WARNING: atoms too close: (T0375)N100.CA and (T0375)G227.CA only 0.000 apart, marking (T0375)G227.CA as missing WARNING: atoms too close: (T0375)I99.CA and (T0375)G227.CA only 0.000 apart, marking (T0375)G227.CA as missing WARNING: atoms too close: (T0375)I98.CA and (T0375)G227.CA only 0.000 apart, marking (T0375)G227.CA as missing WARNING: atoms too close: (T0375)V97.CA and (T0375)G227.CA only 0.000 apart, marking (T0375)G227.CA as missing WARNING: atoms too close: (T0375)E226.O and (T0375)G227.O only 0.000 apart, marking (T0375)G227.O as missing WARNING: atoms too close: (T0375)E225.O and (T0375)G227.O only 0.000 apart, marking (T0375)G227.O as missing WARNING: atoms too close: (T0375)A224.O and (T0375)G227.O only 0.000 apart, marking (T0375)G227.O as missing WARNING: atoms too close: (T0375)W223.O and (T0375)G227.O only 0.000 apart, marking (T0375)G227.O as missing WARNING: atoms too close: (T0375)A222.O and (T0375)G227.O only 0.000 apart, marking (T0375)G227.O as missing WARNING: atoms too close: (T0375)C221.O and (T0375)G227.O only 0.000 apart, marking (T0375)G227.O as missing WARNING: atoms too close: (T0375)V220.O and (T0375)G227.O only 0.000 apart, marking (T0375)G227.O as missing WARNING: atoms too close: (T0375)G198.O and (T0375)G227.O only 0.000 apart, marking (T0375)G227.O as missing WARNING: atoms too close: (T0375)L197.O and (T0375)G227.O only 0.000 apart, marking (T0375)G227.O as missing WARNING: atoms too close: (T0375)R174.O and (T0375)G227.O only 0.000 apart, marking (T0375)G227.O as missing WARNING: atoms too close: (T0375)P173.O and (T0375)G227.O only 0.000 apart, marking (T0375)G227.O as missing WARNING: atoms too close: (T0375)K172.O and (T0375)G227.O only 0.000 apart, marking (T0375)G227.O as missing WARNING: atoms too close: (T0375)E171.O and (T0375)G227.O only 0.000 apart, marking (T0375)G227.O as missing WARNING: atoms too close: (T0375)V170.O and (T0375)G227.O only 0.000 apart, marking (T0375)G227.O as missing WARNING: atoms too close: (T0375)E169.O and (T0375)G227.O only 0.000 apart, marking (T0375)G227.O as missing WARNING: atoms too close: (T0375)V168.O and (T0375)G227.O only 0.000 apart, marking (T0375)G227.O as missing WARNING: atoms too close: (T0375)S167.O and (T0375)G227.O only 0.000 apart, marking (T0375)G227.O as missing WARNING: atoms too close: (T0375)V166.O and (T0375)G227.O only 0.000 apart, marking (T0375)G227.O as missing WARNING: atoms too close: (T0375)N100.O and (T0375)G227.O only 0.000 apart, marking (T0375)G227.O as missing WARNING: atoms too close: (T0375)I99.O and (T0375)G227.O only 0.000 apart, marking (T0375)G227.O as missing WARNING: atoms too close: (T0375)I98.O and (T0375)G227.O only 0.000 apart, marking (T0375)G227.O as missing WARNING: atoms too close: (T0375)V97.O and (T0375)G227.O only 0.000 apart, marking (T0375)G227.O as missing WARNING: atoms too close: (T0375)E226.C and (T0375)G227.C only 0.000 apart, marking (T0375)G227.C as missing WARNING: atoms too close: (T0375)E225.C and (T0375)G227.C only 0.000 apart, marking (T0375)G227.C as missing WARNING: atoms too close: (T0375)A224.C and (T0375)G227.C only 0.000 apart, marking (T0375)G227.C as missing WARNING: atoms too close: (T0375)W223.C and (T0375)G227.C only 0.000 apart, marking (T0375)G227.C as missing WARNING: atoms too close: (T0375)A222.C and (T0375)G227.C only 0.000 apart, marking (T0375)G227.C as missing WARNING: atoms too close: (T0375)C221.C and (T0375)G227.C only 0.000 apart, marking (T0375)G227.C as missing WARNING: atoms too close: (T0375)V220.C and (T0375)G227.C only 0.000 apart, marking (T0375)G227.C as missing WARNING: atoms too close: (T0375)G198.C and (T0375)G227.C only 0.000 apart, marking (T0375)G227.C as missing WARNING: atoms too close: (T0375)L197.C and (T0375)G227.C only 0.000 apart, marking (T0375)G227.C as missing WARNING: atoms too close: (T0375)R174.C and (T0375)G227.C only 0.000 apart, marking (T0375)G227.C as missing WARNING: atoms too close: (T0375)P173.C and (T0375)G227.C only 0.000 apart, marking (T0375)G227.C as missing WARNING: atoms too close: (T0375)K172.C and (T0375)G227.C only 0.000 apart, marking (T0375)G227.C as missing WARNING: atoms too close: (T0375)E171.C and (T0375)G227.C only 0.000 apart, marking (T0375)G227.C as missing WARNING: atoms too close: (T0375)V170.C and (T0375)G227.C only 0.000 apart, marking (T0375)G227.C as missing WARNING: atoms too close: (T0375)E169.C and (T0375)G227.C only 0.000 apart, marking (T0375)G227.C as missing WARNING: atoms too close: (T0375)V168.C and (T0375)G227.C only 0.000 apart, marking (T0375)G227.C as missing WARNING: atoms too close: (T0375)S167.C and (T0375)G227.C only 0.000 apart, marking (T0375)G227.C as missing WARNING: atoms too close: (T0375)V166.C and (T0375)G227.C only 0.000 apart, marking (T0375)G227.C as missing WARNING: atoms too close: (T0375)N100.C and (T0375)G227.C only 0.000 apart, marking (T0375)G227.C as missing WARNING: atoms too close: (T0375)I99.C and (T0375)G227.C only 0.000 apart, marking (T0375)G227.C as missing WARNING: atoms too close: (T0375)I98.C and (T0375)G227.C only 0.000 apart, marking (T0375)G227.C as missing WARNING: atoms too close: (T0375)V97.C and (T0375)G227.C only 0.000 apart, marking (T0375)G227.C as missing WARNING: atoms too close: (T0375)G227.N and (T0375)A228.N only 0.000 apart, marking (T0375)G227.N as missing WARNING: atoms too close: (T0375)E226.N and (T0375)A228.N only 0.000 apart, marking (T0375)E226.N as missing WARNING: atoms too close: (T0375)E225.N and (T0375)A228.N only 0.000 apart, marking (T0375)E225.N as missing WARNING: atoms too close: (T0375)A224.N and (T0375)A228.N only 0.000 apart, marking (T0375)A224.N as missing WARNING: atoms too close: (T0375)W223.N and (T0375)A228.N only 0.000 apart, marking (T0375)W223.N as missing WARNING: atoms too close: (T0375)A222.N and (T0375)A228.N only 0.000 apart, marking (T0375)A222.N as missing WARNING: atoms too close: (T0375)C221.N and (T0375)A228.N only 0.000 apart, marking (T0375)C221.N as missing WARNING: atoms too close: (T0375)V220.N and (T0375)A228.N only 0.000 apart, marking (T0375)V220.N as missing WARNING: atoms too close: (T0375)G198.N and (T0375)A228.N only 0.000 apart, marking (T0375)G198.N as missing WARNING: atoms too close: (T0375)L197.N and (T0375)A228.N only 0.000 apart, marking (T0375)L197.N as missing WARNING: atoms too close: (T0375)R174.N and (T0375)A228.N only 0.000 apart, marking (T0375)R174.N as missing WARNING: atoms too close: (T0375)P173.N and (T0375)A228.N only 0.000 apart, marking (T0375)P173.N as missing WARNING: atoms too close: (T0375)K172.N and (T0375)A228.N only 0.000 apart, marking (T0375)K172.N as missing WARNING: atoms too close: (T0375)E171.N and (T0375)A228.N only 0.000 apart, marking (T0375)E171.N as missing WARNING: atoms too close: (T0375)V170.N and (T0375)A228.N only 0.000 apart, marking (T0375)V170.N as missing WARNING: atoms too close: (T0375)E169.N and (T0375)A228.N only 0.000 apart, marking (T0375)E169.N as missing WARNING: atoms too close: (T0375)V168.N and (T0375)A228.N only 0.000 apart, marking (T0375)V168.N as missing WARNING: atoms too close: (T0375)S167.N and (T0375)A228.N only 0.000 apart, marking (T0375)S167.N as missing WARNING: atoms too close: (T0375)V166.N and (T0375)A228.N only 0.000 apart, marking (T0375)V166.N as missing WARNING: atoms too close: (T0375)N100.N and (T0375)A228.N only 0.000 apart, marking (T0375)N100.N as missing WARNING: atoms too close: (T0375)I99.N and (T0375)A228.N only 0.000 apart, marking (T0375)I99.N as missing WARNING: atoms too close: (T0375)I98.N and (T0375)A228.N only 0.000 apart, marking (T0375)I98.N as missing WARNING: atoms too close: (T0375)V97.N and (T0375)A228.N only 0.000 apart, marking (T0375)A228.N as missing WARNING: atoms too close: (T0375)G227.CA and (T0375)A228.CA only 0.000 apart, marking (T0375)A228.CA as missing WARNING: atoms too close: (T0375)E226.CA and (T0375)A228.CA only 0.000 apart, marking (T0375)A228.CA as missing WARNING: atoms too close: (T0375)E225.CA and (T0375)A228.CA only 0.000 apart, marking (T0375)A228.CA as missing WARNING: atoms too close: (T0375)A224.CA and (T0375)A228.CA only 0.000 apart, marking (T0375)A228.CA as missing WARNING: atoms too close: (T0375)W223.CA and (T0375)A228.CA only 0.000 apart, marking (T0375)A228.CA as missing WARNING: atoms too close: (T0375)A222.CA and (T0375)A228.CA only 0.000 apart, marking (T0375)A228.CA as missing WARNING: atoms too close: (T0375)C221.CA and (T0375)A228.CA only 0.000 apart, marking (T0375)A228.CA as missing WARNING: atoms too close: (T0375)V220.CA and (T0375)A228.CA only 0.000 apart, marking (T0375)A228.CA as missing WARNING: atoms too close: (T0375)G198.CA and (T0375)A228.CA only 0.000 apart, marking (T0375)A228.CA as missing WARNING: atoms too close: (T0375)L197.CA and (T0375)A228.CA only 0.000 apart, marking (T0375)A228.CA as missing WARNING: atoms too close: (T0375)R174.CA and (T0375)A228.CA only 0.000 apart, marking (T0375)A228.CA as missing WARNING: atoms too close: (T0375)P173.CA and (T0375)A228.CA only 0.000 apart, marking (T0375)A228.CA as missing WARNING: atoms too close: (T0375)K172.CA and (T0375)A228.CA only 0.000 apart, marking (T0375)A228.CA as missing WARNING: atoms too close: (T0375)E171.CA and (T0375)A228.CA only 0.000 apart, marking (T0375)A228.CA as missing WARNING: atoms too close: (T0375)V170.CA and (T0375)A228.CA only 0.000 apart, marking (T0375)A228.CA as missing WARNING: atoms too close: (T0375)E169.CA and (T0375)A228.CA only 0.000 apart, marking (T0375)A228.CA as missing WARNING: atoms too close: (T0375)V168.CA and (T0375)A228.CA only 0.000 apart, marking (T0375)A228.CA as missing WARNING: atoms too close: (T0375)S167.CA and (T0375)A228.CA only 0.000 apart, marking (T0375)A228.CA as missing WARNING: atoms too close: (T0375)V166.CA and (T0375)A228.CA only 0.000 apart, marking (T0375)A228.CA as missing WARNING: atoms too close: (T0375)N100.CA and (T0375)A228.CA only 0.000 apart, marking (T0375)A228.CA as missing WARNING: atoms too close: (T0375)I99.CA and (T0375)A228.CA only 0.000 apart, marking (T0375)A228.CA as missing WARNING: atoms too close: (T0375)I98.CA and (T0375)A228.CA only 0.000 apart, marking (T0375)A228.CA as missing WARNING: atoms too close: (T0375)V97.CA and (T0375)A228.CA only 0.000 apart, marking (T0375)A228.CA as missing WARNING: atoms too close: (T0375)E226.CB and (T0375)A228.CB only 0.000 apart, marking (T0375)A228.CB as missing WARNING: atoms too close: (T0375)E225.CB and (T0375)A228.CB only 0.000 apart, marking (T0375)A228.CB as missing WARNING: atoms too close: (T0375)A224.CB and (T0375)A228.CB only 0.000 apart, marking (T0375)A228.CB as missing WARNING: atoms too close: (T0375)W223.CB and (T0375)A228.CB only 0.000 apart, marking (T0375)A228.CB as missing WARNING: atoms too close: (T0375)A222.CB and (T0375)A228.CB only 0.000 apart, marking (T0375)A228.CB as missing WARNING: atoms too close: (T0375)C221.CB and (T0375)A228.CB only 0.000 apart, marking (T0375)A228.CB as missing WARNING: atoms too close: (T0375)V220.CB and (T0375)A228.CB only 0.000 apart, marking (T0375)A228.CB as missing WARNING: atoms too close: (T0375)L197.CB and (T0375)A228.CB only 0.000 apart, marking (T0375)A228.CB as missing WARNING: atoms too close: (T0375)R174.CB and (T0375)A228.CB only 0.000 apart, marking (T0375)A228.CB as missing WARNING: atoms too close: (T0375)P173.CB and (T0375)A228.CB only 0.000 apart, marking (T0375)A228.CB as missing WARNING: atoms too close: (T0375)K172.CB and (T0375)A228.CB only 0.000 apart, marking (T0375)A228.CB as missing WARNING: atoms too close: (T0375)E171.CB and (T0375)A228.CB only 0.000 apart, marking (T0375)A228.CB as missing WARNING: atoms too close: (T0375)V170.CB and (T0375)A228.CB only 0.000 apart, marking (T0375)A228.CB as missing WARNING: atoms too close: (T0375)E169.CB and (T0375)A228.CB only 0.000 apart, marking (T0375)A228.CB as missing WARNING: atoms too close: (T0375)V168.CB and (T0375)A228.CB only 0.000 apart, marking (T0375)A228.CB as missing WARNING: atoms too close: (T0375)S167.CB and (T0375)A228.CB only 0.000 apart, marking (T0375)A228.CB as missing WARNING: atoms too close: (T0375)V166.CB and (T0375)A228.CB only 0.000 apart, marking (T0375)A228.CB as missing WARNING: atoms too close: (T0375)N100.CB and (T0375)A228.CB only 0.000 apart, marking (T0375)A228.CB as missing WARNING: atoms too close: (T0375)I99.CB and (T0375)A228.CB only 0.000 apart, marking (T0375)A228.CB as missing WARNING: atoms too close: (T0375)I98.CB and (T0375)A228.CB only 0.000 apart, marking (T0375)A228.CB as missing WARNING: atoms too close: (T0375)V97.CB and (T0375)A228.CB only 0.000 apart, marking (T0375)A228.CB as missing WARNING: atoms too close: (T0375)G227.O and (T0375)A228.O only 0.000 apart, marking (T0375)A228.O as missing WARNING: atoms too close: (T0375)E226.O and (T0375)A228.O only 0.000 apart, marking (T0375)A228.O as missing WARNING: atoms too close: (T0375)E225.O and (T0375)A228.O only 0.000 apart, marking (T0375)A228.O as missing WARNING: atoms too close: (T0375)A224.O and (T0375)A228.O only 0.000 apart, marking (T0375)A228.O as missing WARNING: atoms too close: (T0375)W223.O and (T0375)A228.O only 0.000 apart, marking (T0375)A228.O as missing WARNING: atoms too close: (T0375)A222.O and (T0375)A228.O only 0.000 apart, marking (T0375)A228.O as missing WARNING: atoms too close: (T0375)C221.O and (T0375)A228.O only 0.000 apart, marking (T0375)A228.O as missing WARNING: atoms too close: (T0375)V220.O and (T0375)A228.O only 0.000 apart, marking (T0375)A228.O as missing WARNING: atoms too close: (T0375)G198.O and (T0375)A228.O only 0.000 apart, marking (T0375)A228.O as missing WARNING: atoms too close: (T0375)L197.O and (T0375)A228.O only 0.000 apart, marking (T0375)A228.O as missing WARNING: atoms too close: (T0375)R174.O and (T0375)A228.O only 0.000 apart, marking (T0375)A228.O as missing WARNING: atoms too close: (T0375)P173.O and (T0375)A228.O only 0.000 apart, marking (T0375)A228.O as missing WARNING: atoms too close: (T0375)K172.O and (T0375)A228.O only 0.000 apart, marking (T0375)A228.O as missing WARNING: atoms too close: (T0375)E171.O and (T0375)A228.O only 0.000 apart, marking (T0375)A228.O as missing WARNING: atoms too close: (T0375)V170.O and (T0375)A228.O only 0.000 apart, marking (T0375)A228.O as missing WARNING: atoms too close: (T0375)E169.O and (T0375)A228.O only 0.000 apart, marking (T0375)A228.O as missing WARNING: atoms too close: (T0375)V168.O and (T0375)A228.O only 0.000 apart, marking (T0375)A228.O as missing WARNING: atoms too close: (T0375)S167.O and (T0375)A228.O only 0.000 apart, marking (T0375)A228.O as missing WARNING: atoms too close: (T0375)V166.O and (T0375)A228.O only 0.000 apart, marking (T0375)A228.O as missing WARNING: atoms too close: (T0375)N100.O and (T0375)A228.O only 0.000 apart, marking (T0375)A228.O as missing WARNING: atoms too close: (T0375)I99.O and (T0375)A228.O only 0.000 apart, marking (T0375)A228.O as missing WARNING: atoms too close: (T0375)I98.O and (T0375)A228.O only 0.000 apart, marking (T0375)A228.O as missing WARNING: atoms too close: (T0375)V97.O and (T0375)A228.O only 0.000 apart, marking (T0375)A228.O as missing WARNING: atoms too close: (T0375)G227.C and (T0375)A228.C only 0.000 apart, marking (T0375)A228.C as missing WARNING: atoms too close: (T0375)E226.C and (T0375)A228.C only 0.000 apart, marking (T0375)A228.C as missing WARNING: atoms too close: (T0375)E225.C and (T0375)A228.C only 0.000 apart, marking (T0375)A228.C as missing WARNING: atoms too close: (T0375)A224.C and (T0375)A228.C only 0.000 apart, marking (T0375)A228.C as missing WARNING: atoms too close: (T0375)W223.C and (T0375)A228.C only 0.000 apart, marking (T0375)A228.C as missing WARNING: atoms too close: (T0375)A222.C and (T0375)A228.C only 0.000 apart, marking (T0375)A228.C as missing WARNING: atoms too close: (T0375)C221.C and (T0375)A228.C only 0.000 apart, marking (T0375)A228.C as missing WARNING: atoms too close: (T0375)V220.C and (T0375)A228.C only 0.000 apart, marking (T0375)A228.C as missing WARNING: atoms too close: (T0375)G198.C and (T0375)A228.C only 0.000 apart, marking (T0375)A228.C as missing WARNING: atoms too close: (T0375)L197.C and (T0375)A228.C only 0.000 apart, marking (T0375)A228.C as missing WARNING: atoms too close: (T0375)R174.C and (T0375)A228.C only 0.000 apart, marking (T0375)A228.C as missing WARNING: atoms too close: (T0375)P173.C and (T0375)A228.C only 0.000 apart, marking (T0375)A228.C as missing WARNING: atoms too close: (T0375)K172.C and (T0375)A228.C only 0.000 apart, marking (T0375)A228.C as missing WARNING: atoms too close: (T0375)E171.C and (T0375)A228.C only 0.000 apart, marking (T0375)A228.C as missing WARNING: atoms too close: (T0375)V170.C and (T0375)A228.C only 0.000 apart, marking (T0375)A228.C as missing WARNING: atoms too close: (T0375)E169.C and (T0375)A228.C only 0.000 apart, marking (T0375)A228.C as missing WARNING: atoms too close: (T0375)V168.C and (T0375)A228.C only 0.000 apart, marking (T0375)A228.C as missing WARNING: atoms too close: (T0375)S167.C and (T0375)A228.C only 0.000 apart, marking (T0375)A228.C as missing WARNING: atoms too close: (T0375)V166.C and (T0375)A228.C only 0.000 apart, marking (T0375)A228.C as missing WARNING: atoms too close: (T0375)N100.C and (T0375)A228.C only 0.000 apart, marking (T0375)A228.C as missing WARNING: atoms too close: (T0375)I99.C and (T0375)A228.C only 0.000 apart, marking (T0375)A228.C as missing WARNING: atoms too close: (T0375)I98.C and (T0375)A228.C only 0.000 apart, marking (T0375)A228.C as missing WARNING: atoms too close: (T0375)V97.C and (T0375)A228.C only 0.000 apart, marking (T0375)A228.C as missing WARNING: atoms too close: (T0375)A228.N and (T0375)D229.N only 0.000 apart, marking (T0375)A228.N as missing WARNING: atoms too close: (T0375)G227.N and (T0375)D229.N only 0.000 apart, marking (T0375)G227.N as missing WARNING: atoms too close: (T0375)E226.N and (T0375)D229.N only 0.000 apart, marking (T0375)E226.N as missing WARNING: atoms too close: (T0375)E225.N and (T0375)D229.N only 0.000 apart, marking (T0375)E225.N as missing WARNING: atoms too close: (T0375)A224.N and (T0375)D229.N only 0.000 apart, marking (T0375)A224.N as missing WARNING: atoms too close: (T0375)W223.N and (T0375)D229.N only 0.000 apart, marking (T0375)W223.N as missing WARNING: atoms too close: (T0375)A222.N and (T0375)D229.N only 0.000 apart, marking (T0375)A222.N as missing WARNING: atoms too close: (T0375)C221.N and (T0375)D229.N only 0.000 apart, marking (T0375)C221.N as missing WARNING: atoms too close: (T0375)V220.N and (T0375)D229.N only 0.000 apart, marking (T0375)V220.N as missing WARNING: atoms too close: (T0375)G198.N and (T0375)D229.N only 0.000 apart, marking (T0375)G198.N as missing WARNING: atoms too close: (T0375)L197.N and (T0375)D229.N only 0.000 apart, marking (T0375)L197.N as missing WARNING: atoms too close: (T0375)R174.N and (T0375)D229.N only 0.000 apart, marking (T0375)R174.N as missing WARNING: atoms too close: (T0375)P173.N and (T0375)D229.N only 0.000 apart, marking (T0375)P173.N as missing WARNING: atoms too close: (T0375)K172.N and (T0375)D229.N only 0.000 apart, marking (T0375)K172.N as missing WARNING: atoms too close: (T0375)E171.N and (T0375)D229.N only 0.000 apart, marking (T0375)E171.N as missing WARNING: atoms too close: (T0375)V170.N and (T0375)D229.N only 0.000 apart, marking (T0375)V170.N as missing WARNING: atoms too close: (T0375)E169.N and (T0375)D229.N only 0.000 apart, marking (T0375)E169.N as missing WARNING: atoms too close: (T0375)V168.N and (T0375)D229.N only 0.000 apart, marking (T0375)V168.N as missing WARNING: atoms too close: (T0375)S167.N and (T0375)D229.N only 0.000 apart, marking (T0375)S167.N as missing WARNING: atoms too close: (T0375)V166.N and (T0375)D229.N only 0.000 apart, marking (T0375)V166.N as missing WARNING: atoms too close: (T0375)N100.N and (T0375)D229.N only 0.000 apart, marking (T0375)N100.N as missing WARNING: atoms too close: (T0375)I99.N and (T0375)D229.N only 0.000 apart, marking (T0375)I99.N as missing WARNING: atoms too close: (T0375)I98.N and (T0375)D229.N only 0.000 apart, marking (T0375)I98.N as missing WARNING: atoms too close: (T0375)V97.N and (T0375)D229.N only 0.000 apart, marking (T0375)D229.N as missing WARNING: atoms too close: (T0375)A228.CA and (T0375)D229.CA only 0.000 apart, marking (T0375)D229.CA as missing WARNING: atoms too close: (T0375)G227.CA and (T0375)D229.CA only 0.000 apart, marking (T0375)D229.CA as missing WARNING: atoms too close: (T0375)E226.CA and (T0375)D229.CA only 0.000 apart, marking (T0375)D229.CA as missing WARNING: atoms too close: (T0375)E225.CA and (T0375)D229.CA only 0.000 apart, marking (T0375)D229.CA as missing WARNING: atoms too close: (T0375)A224.CA and (T0375)D229.CA only 0.000 apart, marking (T0375)D229.CA as missing WARNING: atoms too close: (T0375)W223.CA and (T0375)D229.CA only 0.000 apart, marking (T0375)D229.CA as missing WARNING: atoms too close: (T0375)A222.CA and (T0375)D229.CA only 0.000 apart, marking (T0375)D229.CA as missing WARNING: atoms too close: (T0375)C221.CA and (T0375)D229.CA only 0.000 apart, marking (T0375)D229.CA as missing WARNING: atoms too close: (T0375)V220.CA and (T0375)D229.CA only 0.000 apart, marking (T0375)D229.CA as missing WARNING: atoms too close: (T0375)G198.CA and (T0375)D229.CA only 0.000 apart, marking (T0375)D229.CA as missing WARNING: atoms too close: (T0375)L197.CA and (T0375)D229.CA only 0.000 apart, marking (T0375)D229.CA as missing WARNING: atoms too close: (T0375)R174.CA and (T0375)D229.CA only 0.000 apart, marking (T0375)D229.CA as missing WARNING: atoms too close: (T0375)P173.CA and (T0375)D229.CA only 0.000 apart, marking (T0375)D229.CA as missing WARNING: atoms too close: (T0375)K172.CA and (T0375)D229.CA only 0.000 apart, marking (T0375)D229.CA as missing WARNING: atoms too close: (T0375)E171.CA and (T0375)D229.CA only 0.000 apart, marking (T0375)D229.CA as missing WARNING: atoms too close: (T0375)V170.CA and (T0375)D229.CA only 0.000 apart, marking (T0375)D229.CA as missing WARNING: atoms too close: (T0375)E169.CA and (T0375)D229.CA only 0.000 apart, marking (T0375)D229.CA as missing WARNING: atoms too close: (T0375)V168.CA and (T0375)D229.CA only 0.000 apart, marking (T0375)D229.CA as missing WARNING: atoms too close: (T0375)S167.CA and (T0375)D229.CA only 0.000 apart, marking (T0375)D229.CA as missing WARNING: atoms too close: (T0375)V166.CA and (T0375)D229.CA only 0.000 apart, marking (T0375)D229.CA as missing WARNING: atoms too close: (T0375)N100.CA and (T0375)D229.CA only 0.000 apart, marking (T0375)D229.CA as missing WARNING: atoms too close: (T0375)I99.CA and (T0375)D229.CA only 0.000 apart, marking (T0375)D229.CA as missing WARNING: atoms too close: (T0375)I98.CA and (T0375)D229.CA only 0.000 apart, marking (T0375)D229.CA as missing WARNING: atoms too close: (T0375)V97.CA and (T0375)D229.CA only 0.000 apart, marking (T0375)D229.CA as missing WARNING: atoms too close: (T0375)A228.CB and (T0375)D229.CB only 0.000 apart, marking (T0375)D229.CB as missing WARNING: atoms too close: (T0375)E226.CB and (T0375)D229.CB only 0.000 apart, marking (T0375)D229.CB as missing WARNING: atoms too close: (T0375)E225.CB and (T0375)D229.CB only 0.000 apart, marking (T0375)D229.CB as missing WARNING: atoms too close: (T0375)A224.CB and (T0375)D229.CB only 0.000 apart, marking (T0375)D229.CB as missing WARNING: atoms too close: (T0375)W223.CB and (T0375)D229.CB only 0.000 apart, marking (T0375)D229.CB as missing WARNING: atoms too close: (T0375)A222.CB and (T0375)D229.CB only 0.000 apart, marking (T0375)D229.CB as missing WARNING: atoms too close: (T0375)C221.CB and (T0375)D229.CB only 0.000 apart, marking (T0375)D229.CB as missing WARNING: atoms too close: (T0375)V220.CB and (T0375)D229.CB only 0.000 apart, marking (T0375)D229.CB as missing WARNING: atoms too close: (T0375)L197.CB and (T0375)D229.CB only 0.000 apart, marking (T0375)D229.CB as missing WARNING: atoms too close: (T0375)R174.CB and (T0375)D229.CB only 0.000 apart, marking (T0375)D229.CB as missing WARNING: atoms too close: (T0375)P173.CB and (T0375)D229.CB only 0.000 apart, marking (T0375)D229.CB as missing WARNING: atoms too close: (T0375)K172.CB and (T0375)D229.CB only 0.000 apart, marking (T0375)D229.CB as missing WARNING: atoms too close: (T0375)E171.CB and (T0375)D229.CB only 0.000 apart, marking (T0375)D229.CB as missing WARNING: atoms too close: (T0375)V170.CB and (T0375)D229.CB only 0.000 apart, marking (T0375)D229.CB as missing WARNING: atoms too close: (T0375)E169.CB and (T0375)D229.CB only 0.000 apart, marking (T0375)D229.CB as missing WARNING: atoms too close: (T0375)V168.CB and (T0375)D229.CB only 0.000 apart, marking (T0375)D229.CB as missing WARNING: atoms too close: (T0375)S167.CB and (T0375)D229.CB only 0.000 apart, marking (T0375)D229.CB as missing WARNING: atoms too close: (T0375)V166.CB and (T0375)D229.CB only 0.000 apart, marking (T0375)D229.CB as missing WARNING: atoms too close: (T0375)N100.CB and (T0375)D229.CB only 0.000 apart, marking (T0375)D229.CB as missing WARNING: atoms too close: (T0375)I99.CB and (T0375)D229.CB only 0.000 apart, marking (T0375)D229.CB as missing WARNING: atoms too close: (T0375)I98.CB and (T0375)D229.CB only 0.000 apart, marking (T0375)D229.CB as missing WARNING: atoms too close: (T0375)V97.CB and (T0375)D229.CB only 0.000 apart, marking (T0375)D229.CB as missing WARNING: atoms too close: (T0375)E226.CG and (T0375)D229.CG only 0.000 apart, marking (T0375)D229.CG as missing WARNING: atoms too close: (T0375)E225.CG and (T0375)D229.CG only 0.000 apart, marking (T0375)D229.CG as missing WARNING: atoms too close: (T0375)W223.CG and (T0375)D229.CG only 0.000 apart, marking (T0375)D229.CG as missing WARNING: atoms too close: (T0375)V220.CG1 and (T0375)D229.CG only 0.000 apart, marking (T0375)D229.CG as missing WARNING: atoms too close: (T0375)L197.CG and (T0375)D229.CG only 0.000 apart, marking (T0375)D229.CG as missing WARNING: atoms too close: (T0375)R174.CG and (T0375)D229.CG only 0.000 apart, marking (T0375)D229.CG as missing WARNING: atoms too close: (T0375)K172.CG and (T0375)D229.CG only 0.000 apart, marking (T0375)D229.CG as missing WARNING: atoms too close: (T0375)E171.CG and (T0375)D229.CG only 0.000 apart, marking (T0375)D229.CG as missing WARNING: atoms too close: (T0375)V170.CG1 and (T0375)D229.CG only 0.000 apart, marking (T0375)D229.CG as missing WARNING: atoms too close: (T0375)E169.CG and (T0375)D229.CG only 0.000 apart, marking (T0375)D229.CG as missing WARNING: atoms too close: (T0375)V168.CG1 and (T0375)D229.CG only 0.000 apart, marking (T0375)D229.CG as missing WARNING: atoms too close: (T0375)V166.CG1 and (T0375)D229.CG only 0.000 apart, marking (T0375)D229.CG as missing WARNING: atoms too close: (T0375)N100.CG and (T0375)D229.CG only 0.000 apart, marking (T0375)D229.CG as missing WARNING: atoms too close: (T0375)I99.CG1 and (T0375)D229.CG only 0.000 apart, marking (T0375)D229.CG as missing WARNING: atoms too close: (T0375)I98.CG1 and (T0375)D229.CG only 0.000 apart, marking (T0375)D229.CG as missing WARNING: atoms too close: (T0375)V97.CG1 and (T0375)D229.CG only 0.000 apart, marking (T0375)D229.CG as missing WARNING: atoms too close: (T0375)A228.O and (T0375)D229.O only 0.000 apart, marking (T0375)D229.O as missing WARNING: atoms too close: (T0375)G227.O and (T0375)D229.O only 0.000 apart, marking (T0375)D229.O as missing WARNING: atoms too close: (T0375)E226.O and (T0375)D229.O only 0.000 apart, marking (T0375)D229.O as missing WARNING: atoms too close: (T0375)E225.O and (T0375)D229.O only 0.000 apart, marking (T0375)D229.O as missing WARNING: atoms too close: (T0375)A224.O and (T0375)D229.O only 0.000 apart, marking (T0375)D229.O as missing WARNING: atoms too close: (T0375)W223.O and (T0375)D229.O only 0.000 apart, marking (T0375)D229.O as missing WARNING: atoms too close: (T0375)A222.O and (T0375)D229.O only 0.000 apart, marking (T0375)D229.O as missing WARNING: atoms too close: (T0375)C221.O and (T0375)D229.O only 0.000 apart, marking (T0375)D229.O as missing WARNING: atoms too close: (T0375)V220.O and (T0375)D229.O only 0.000 apart, marking (T0375)D229.O as missing WARNING: atoms too close: (T0375)G198.O and (T0375)D229.O only 0.000 apart, marking (T0375)D229.O as missing WARNING: atoms too close: (T0375)L197.O and (T0375)D229.O only 0.000 apart, marking (T0375)D229.O as missing WARNING: atoms too close: (T0375)R174.O and (T0375)D229.O only 0.000 apart, marking (T0375)D229.O as missing WARNING: atoms too close: (T0375)P173.O and (T0375)D229.O only 0.000 apart, marking (T0375)D229.O as missing WARNING: atoms too close: (T0375)K172.O and (T0375)D229.O only 0.000 apart, marking (T0375)D229.O as missing WARNING: atoms too close: (T0375)E171.O and (T0375)D229.O only 0.000 apart, marking (T0375)D229.O as missing WARNING: atoms too close: (T0375)V170.O and (T0375)D229.O only 0.000 apart, marking (T0375)D229.O as missing WARNING: atoms too close: (T0375)E169.O and (T0375)D229.O only 0.000 apart, marking (T0375)D229.O as missing WARNING: atoms too close: (T0375)V168.O and (T0375)D229.O only 0.000 apart, marking (T0375)D229.O as missing WARNING: atoms too close: (T0375)S167.O and (T0375)D229.O only 0.000 apart, marking (T0375)D229.O as missing WARNING: atoms too close: (T0375)V166.O and (T0375)D229.O only 0.000 apart, marking (T0375)D229.O as missing WARNING: atoms too close: (T0375)N100.O and (T0375)D229.O only 0.000 apart, marking (T0375)D229.O as missing WARNING: atoms too close: (T0375)I99.O and (T0375)D229.O only 0.000 apart, marking (T0375)D229.O as missing WARNING: atoms too close: (T0375)I98.O and (T0375)D229.O only 0.000 apart, marking (T0375)D229.O as missing WARNING: atoms too close: (T0375)V97.O and (T0375)D229.O only 0.000 apart, marking (T0375)D229.O as missing WARNING: atoms too close: (T0375)A228.C and (T0375)D229.C only 0.000 apart, marking (T0375)D229.C as missing WARNING: atoms too close: (T0375)G227.C and (T0375)D229.C only 0.000 apart, marking (T0375)D229.C as missing WARNING: atoms too close: (T0375)E226.C and (T0375)D229.C only 0.000 apart, marking (T0375)D229.C as missing WARNING: atoms too close: (T0375)E225.C and (T0375)D229.C only 0.000 apart, marking (T0375)D229.C as missing WARNING: atoms too close: (T0375)A224.C and (T0375)D229.C only 0.000 apart, marking (T0375)D229.C as missing WARNING: atoms too close: (T0375)W223.C and (T0375)D229.C only 0.000 apart, marking (T0375)D229.C as missing WARNING: atoms too close: (T0375)A222.C and (T0375)D229.C only 0.000 apart, marking (T0375)D229.C as missing WARNING: atoms too close: (T0375)C221.C and (T0375)D229.C only 0.000 apart, marking (T0375)D229.C as missing WARNING: atoms too close: (T0375)V220.C and (T0375)D229.C only 0.000 apart, marking (T0375)D229.C as missing WARNING: atoms too close: (T0375)G198.C and (T0375)D229.C only 0.000 apart, marking (T0375)D229.C as missing WARNING: atoms too close: (T0375)L197.C and (T0375)D229.C only 0.000 apart, marking (T0375)D229.C as missing WARNING: atoms too close: (T0375)R174.C and (T0375)D229.C only 0.000 apart, marking (T0375)D229.C as missing WARNING: atoms too close: (T0375)P173.C and (T0375)D229.C only 0.000 apart, marking (T0375)D229.C as missing WARNING: atoms too close: (T0375)K172.C and (T0375)D229.C only 0.000 apart, marking (T0375)D229.C as missing WARNING: atoms too close: (T0375)E171.C and (T0375)D229.C only 0.000 apart, marking (T0375)D229.C as missing WARNING: atoms too close: (T0375)V170.C and (T0375)D229.C only 0.000 apart, marking (T0375)D229.C as missing WARNING: atoms too close: (T0375)E169.C and (T0375)D229.C only 0.000 apart, marking (T0375)D229.C as missing WARNING: atoms too close: (T0375)V168.C and (T0375)D229.C only 0.000 apart, marking (T0375)D229.C as missing WARNING: atoms too close: (T0375)S167.C and (T0375)D229.C only 0.000 apart, marking (T0375)D229.C as missing WARNING: atoms too close: (T0375)V166.C and (T0375)D229.C only 0.000 apart, marking (T0375)D229.C as missing WARNING: atoms too close: (T0375)N100.C and (T0375)D229.C only 0.000 apart, marking (T0375)D229.C as missing WARNING: atoms too close: (T0375)I99.C and (T0375)D229.C only 0.000 apart, marking (T0375)D229.C as missing WARNING: atoms too close: (T0375)I98.C and (T0375)D229.C only 0.000 apart, marking (T0375)D229.C as missing WARNING: atoms too close: (T0375)V97.C and (T0375)D229.C only 0.000 apart, marking (T0375)D229.C as missing # WARNING: incomplete conformation T0375 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 295 # copying to AlignedFragments data structure # naming current conformation shub_TS1 # command:Using radius: 8.0000 Using models AND alignments for constraints model score -0.3912 model score -0.3912 model score -0.3912 model score -0.1040 model score -0.0228 model score -0.1167 model score -0.1365 model score 0.0886 model score -0.1737 model score -0.1241 model score -0.1408 model score -0.1656 model score -0.1641 model score -0.1836 model score -0.1212 model score -0.2173 model score -0.1136 model score -0.1265 model score -0.1960 model score -0.1825 model score -0.1435 model score -0.1963 model score -0.3258 model score 1.7265 model score 1.7583 model score 1.7657 model score 1.8388 model score 1.7564 model score -0.0828 model score -0.0694 model score -0.0636 model score 0.1975 model score -0.0629 model score -0.0379 model score -0.3314 model score -0.3596 model score 0.0607 model score -0.3366 model score -0.0063 model score 1.2534 model score -0.3446 model score 0.1061 model score 0.0918 model score -0.1458 model score -0.3105 model score 1.2721 model score 1.2675 model score 1.2708 model score 1.2760 model score 1.2696 model score -0.3377 model score -0.3178 model score -0.3336 model score -0.0114 model score -0.0027 model score -0.3310 model score -0.3596 model score -0.3314 model score 0.0607 model score -0.3366 model score -0.2052 model score -0.0625 model score -0.1115 model score -0.1435 model score -0.1873 model score 1.2653 model score 1.2779 model score 1.2674 model score 1.2710 model score 1.2710 model score 1.2653 model score 1.2687 model score 1.2786 model score 2.4263 model score 2.3349 model score 2.4023 model score 2.4120 model score 2.4016 model score 0.0124 model score 0.1997 model score 0.3697 model score 1.5159 model score 1.8639 model score 1.2653 model score 1.2664 model score 1.2689 model score 1.2763 model score 1.2774 model score -0.3265 model score 0.0961 model score 0.0817 model score 0.2818 model score 0.2878 model score 0.3054 model score 0.3054 model score -0.0942 model score 0.0086 model score -0.1140 model score -0.0690 model score -0.3557 model score 0.0122 model score -0.1217 model score -0.4701 model score 0.0319 model score 0.1892 model score 0.2061 model score 0.2068 model score 0.2244 model score 0.0830 model score 0.0800 model score 0.0385 model score 0.2564 model score 0.1035 model score 1.2772 model score -0.0784 model score -0.0528 model score 0.0063 model score -0.0209 model score -0.3031 model score -0.0161 model score -0.0528 model score -0.0288 model score -0.0298 model score 0.0063 model score -0.1249 model score -0.4222 model score -0.1293 model score 1.1184 model score 1.1098 model score 1.2852 model score 1.3644 model score 1.2522 model score -0.2032 model score 1.1064 model score 1.1150 model score 1.1907 model score 1.2636 model score -0.0183 model score -0.3146 model score -0.0547 model score -0.0227 model score 0.0531 model score -0.2267 model score -0.0531 model score -0.3016 model score -0.3994 model score -0.4154 model score -0.2936 model score 0.0188 model score 0.0156 model score -0.0074 model score -0.0286 model score 0.0023 model score -0.0463 model score 0.0055 model score 0.1038 model score -0.3605 model score -0.3336 model score -0.3145 model score -0.3550 model score -0.2694 model score -0.1738 model score -0.2348 model score -0.3463 model score -0.3968 model score -0.3445 model score -0.1948 model score -0.2714 model score 0.0015 model score 0.0023 model score -0.0328 model score -0.0286 model score 0.0188 model score -0.3649 model score -0.0884 model score -0.1427 model score -0.3174 model score -0.2760 model score 1.2641 model score 1.2658 model score 1.2665 model score 1.2680 model score 1.2669 model score 1.2653 model score 1.2654 model score 1.2655 model score 1.2656 model score 1.2654 model score -0.1197 model score -0.2111 model score -0.3465 model score -0.1646 model score -0.0510 model score 0.0271 model score -0.3572 model score 0.0394 model score 0.0543 model score -0.0200 model score -0.0568 model score -0.3820 model score 0.0571 model score -0.0267 model score -0.0343 model score 0.0206 model score -0.3565 model score -0.2464 model score -0.0069 model score -0.2995 model score 1.2653 model score 1.2653 model score 1.2662 model score 1.2658 model score 1.2658 model score -0.1167 model score 1.2653 model score 1.2653 model score 1.2662 model score 1.2658 model score 1.2658 model score -0.4503 model score -0.4570 model score -0.4408 model score -0.0743 model score -0.0939 model score -0.1936 model score -0.2506 model score 1.2677 model score 1.2669 model score 1.2653 model score 1.2664 model score 1.0918 model score 1.2540 model score 1.0789 model score 1.2948 model score 1.0908 model score 2.1854 model score 1.9848 model score 2.3404 model score 2.0771 model score 2.2384 model score -0.4290 model score -0.3707 model score -0.3403 model score -0.2766 model score -0.1319 model score -0.1135 model score 0.0001 model score -0.3021 model score 0.0740 model score 0.3626 model score 0.0638 model score 0.1802 model score 0.4074 model score -0.1270 USE_META, weight: 0.9755 cost: -0.3912 min: -0.4701 max: 2.4263 USE_META, weight: 0.9755 cost: -0.3912 min: -0.4701 max: 2.4263 USE_META, weight: 0.9755 cost: -0.3912 min: -0.4701 max: 2.4263 USE_META, weight: 0.8862 cost: -0.1040 min: -0.4701 max: 2.4263 USE_META, weight: 0.8610 cost: -0.0228 min: -0.4701 max: 2.4263 USE_META, weight: 0.8902 cost: -0.1167 min: -0.4701 max: 2.4263 USE_META, weight: 0.8963 cost: -0.1365 min: -0.4701 max: 2.4263 USE_META, weight: 0.8264 cost: 0.0886 min: -0.4701 max: 2.4263 USE_META, weight: 0.9079 cost: -0.1737 min: -0.4701 max: 2.4263 USE_META, weight: 0.8925 cost: -0.1241 min: -0.4701 max: 2.4263 USE_META, weight: 0.8977 cost: -0.1408 min: -0.4701 max: 2.4263 USE_META, weight: 0.9054 cost: -0.1656 min: -0.4701 max: 2.4263 USE_META, weight: 0.9049 cost: -0.1641 min: -0.4701 max: 2.4263 USE_META, weight: 0.9110 cost: -0.1836 min: -0.4701 max: 2.4263 USE_META, weight: 0.8916 cost: -0.1212 min: -0.4701 max: 2.4263 USE_META, weight: 0.9214 cost: -0.2173 min: -0.4701 max: 2.4263 USE_META, weight: 0.8892 cost: -0.1136 min: -0.4701 max: 2.4263 USE_META, weight: 0.8932 cost: -0.1265 min: -0.4701 max: 2.4263 USE_META, weight: 0.9148 cost: -0.1960 min: -0.4701 max: 2.4263 USE_META, weight: 0.9106 cost: -0.1825 min: -0.4701 max: 2.4263 USE_META, weight: 0.8985 cost: -0.1435 min: -0.4701 max: 2.4263 USE_META, weight: 0.9149 cost: -0.1963 min: -0.4701 max: 2.4263 USE_META, weight: 0.9552 cost: -0.3258 min: -0.4701 max: 2.4263 USE_META, weight: 0.3174 cost: 1.7265 min: -0.4701 max: 2.4263 USE_META, weight: 0.3076 cost: 1.7583 min: -0.4701 max: 2.4263 USE_META, weight: 0.3053 cost: 1.7657 min: -0.4701 max: 2.4263 USE_META, weight: 0.2826 cost: 1.8388 min: -0.4701 max: 2.4263 USE_META, weight: 0.3082 cost: 1.7564 min: -0.4701 max: 2.4263 USE_META, weight: 0.8797 cost: -0.0828 min: -0.4701 max: 2.4263 USE_META, weight: 0.8755 cost: -0.0694 min: -0.4701 max: 2.4263 USE_META, weight: 0.8737 cost: -0.0636 min: -0.4701 max: 2.4263 USE_META, weight: 0.7926 cost: 0.1975 min: -0.4701 max: 2.4263 USE_META, weight: 0.8735 cost: -0.0629 min: -0.4701 max: 2.4263 USE_META, weight: 0.8657 cost: -0.0379 min: -0.4701 max: 2.4263 USE_META, weight: 0.9569 cost: -0.3314 min: -0.4701 max: 2.4263 USE_META, weight: 0.9657 cost: -0.3596 min: -0.4701 max: 2.4263 USE_META, weight: 0.8350 cost: 0.0607 min: -0.4701 max: 2.4263 USE_META, weight: 0.9585 cost: -0.3366 min: -0.4701 max: 2.4263 USE_META, weight: 0.8559 cost: -0.0063 min: -0.4701 max: 2.4263 USE_META, weight: 0.4644 cost: 1.2534 min: -0.4701 max: 2.4263 USE_META, weight: 0.9610 cost: -0.3446 min: -0.4701 max: 2.4263 USE_META, weight: 0.8210 cost: 0.1061 min: -0.4701 max: 2.4263 USE_META, weight: 0.8254 cost: 0.0918 min: -0.4701 max: 2.4263 USE_META, weight: 0.8992 cost: -0.1458 min: -0.4701 max: 2.4263 USE_META, weight: 0.9504 cost: -0.3105 min: -0.4701 max: 2.4263 USE_META, weight: 0.4586 cost: 1.2721 min: -0.4701 max: 2.4263 USE_META, weight: 0.4601 cost: 1.2675 min: -0.4701 max: 2.4263 USE_META, weight: 0.4591 cost: 1.2708 min: -0.4701 max: 2.4263 USE_META, weight: 0.4574 cost: 1.2760 min: -0.4701 max: 2.4263 USE_META, weight: 0.4594 cost: 1.2696 min: -0.4701 max: 2.4263 USE_META, weight: 0.9589 cost: -0.3377 min: -0.4701 max: 2.4263 USE_META, weight: 0.9527 cost: -0.3178 min: -0.4701 max: 2.4263 USE_META, weight: 0.9576 cost: -0.3336 min: -0.4701 max: 2.4263 USE_META, weight: 0.8575 cost: -0.0114 min: -0.4701 max: 2.4263 USE_META, weight: 0.8548 cost: -0.0027 min: -0.4701 max: 2.4263 USE_META, weight: 0.9568 cost: -0.3310 min: -0.4701 max: 2.4263 USE_META, weight: 0.9657 cost: -0.3596 min: -0.4701 max: 2.4263 USE_META, weight: 0.9569 cost: -0.3314 min: -0.4701 max: 2.4263 USE_META, weight: 0.8350 cost: 0.0607 min: -0.4701 max: 2.4263 USE_META, weight: 0.9585 cost: -0.3366 min: -0.4701 max: 2.4263 USE_META, weight: 0.9177 cost: -0.2052 min: -0.4701 max: 2.4263 USE_META, weight: 0.8733 cost: -0.0625 min: -0.4701 max: 2.4263 USE_META, weight: 0.8886 cost: -0.1115 min: -0.4701 max: 2.4263 USE_META, weight: 0.8985 cost: -0.1435 min: -0.4701 max: 2.4263 USE_META, weight: 0.9121 cost: -0.1873 min: -0.4701 max: 2.4263 USE_META, weight: 0.4608 cost: 1.2653 min: -0.4701 max: 2.4263 USE_META, weight: 0.4568 cost: 1.2779 min: -0.4701 max: 2.4263 USE_META, weight: 0.4601 cost: 1.2674 min: -0.4701 max: 2.4263 USE_META, weight: 0.4590 cost: 1.2710 min: -0.4701 max: 2.4263 USE_META, weight: 0.4590 cost: 1.2710 min: -0.4701 max: 2.4263 USE_META, weight: 0.4608 cost: 1.2653 min: -0.4701 max: 2.4263 USE_META, weight: 0.4597 cost: 1.2687 min: -0.4701 max: 2.4263 USE_META, weight: 0.4566 cost: 1.2786 min: -0.4701 max: 2.4263 USE_META, weight: 0.1000 cost: 2.4263 min: -0.4701 max: 2.4263 USE_META, weight: 0.1284 cost: 2.3349 min: -0.4701 max: 2.4263 USE_META, weight: 0.1075 cost: 2.4023 min: -0.4701 max: 2.4263 USE_META, weight: 0.1045 cost: 2.4120 min: -0.4701 max: 2.4263 USE_META, weight: 0.1077 cost: 2.4016 min: -0.4701 max: 2.4263 USE_META, weight: 0.8501 cost: 0.0124 min: -0.4701 max: 2.4263 USE_META, weight: 0.7919 cost: 0.1997 min: -0.4701 max: 2.4263 USE_META, weight: 0.7391 cost: 0.3697 min: -0.4701 max: 2.4263 USE_META, weight: 0.3829 cost: 1.5159 min: -0.4701 max: 2.4263 USE_META, weight: 0.2748 cost: 1.8639 min: -0.4701 max: 2.4263 USE_META, weight: 0.4608 cost: 1.2653 min: -0.4701 max: 2.4263 USE_META, weight: 0.4604 cost: 1.2664 min: -0.4701 max: 2.4263 USE_META, weight: 0.4596 cost: 1.2689 min: -0.4701 max: 2.4263 USE_META, weight: 0.4573 cost: 1.2763 min: -0.4701 max: 2.4263 USE_META, weight: 0.4570 cost: 1.2774 min: -0.4701 max: 2.4263 USE_META, weight: 0.9554 cost: -0.3265 min: -0.4701 max: 2.4263 USE_META, weight: 0.8240 cost: 0.0961 min: -0.4701 max: 2.4263 USE_META, weight: 0.8285 cost: 0.0817 min: -0.4701 max: 2.4263 USE_META, weight: 0.7664 cost: 0.2818 min: -0.4701 max: 2.4263 USE_META, weight: 0.7645 cost: 0.2878 min: -0.4701 max: 2.4263 USE_META, weight: 0.7590 cost: 0.3054 min: -0.4701 max: 2.4263 USE_META, weight: 0.7590 cost: 0.3054 min: -0.4701 max: 2.4263 USE_META, weight: 0.8832 cost: -0.0942 min: -0.4701 max: 2.4263 USE_META, weight: 0.8512 cost: 0.0086 min: -0.4701 max: 2.4263 USE_META, weight: 0.8893 cost: -0.1140 min: -0.4701 max: 2.4263 USE_META, weight: 0.8754 cost: -0.0690 min: -0.4701 max: 2.4263 USE_META, weight: 0.9644 cost: -0.3557 min: -0.4701 max: 2.4263 USE_META, weight: 0.8501 cost: 0.0122 min: -0.4701 max: 2.4263 USE_META, weight: 0.8917 cost: -0.1217 min: -0.4701 max: 2.4263 USE_META, weight: 1.0000 cost: -0.4701 min: -0.4701 max: 2.4263 USE_META, weight: 0.8440 cost: 0.0319 min: -0.4701 max: 2.4263 USE_META, weight: 0.7951 cost: 0.1892 min: -0.4701 max: 2.4263 USE_META, weight: 0.7899 cost: 0.2061 min: -0.4701 max: 2.4263 USE_META, weight: 0.7897 cost: 0.2068 min: -0.4701 max: 2.4263 USE_META, weight: 0.7842 cost: 0.2244 min: -0.4701 max: 2.4263 USE_META, weight: 0.8281 cost: 0.0830 min: -0.4701 max: 2.4263 USE_META, weight: 0.8291 cost: 0.0800 min: -0.4701 max: 2.4263 USE_META, weight: 0.8420 cost: 0.0385 min: -0.4701 max: 2.4263 USE_META, weight: 0.7742 cost: 0.2564 min: -0.4701 max: 2.4263 USE_META, weight: 0.8218 cost: 0.1035 min: -0.4701 max: 2.4263 USE_META, weight: 0.4571 cost: 1.2772 min: -0.4701 max: 2.4263 USE_META, weight: 0.8783 cost: -0.0784 min: -0.4701 max: 2.4263 USE_META, weight: 0.8703 cost: -0.0528 min: -0.4701 max: 2.4263 USE_META, weight: 0.8520 cost: 0.0063 min: -0.4701 max: 2.4263 USE_META, weight: 0.8604 cost: -0.0209 min: -0.4701 max: 2.4263 USE_META, weight: 0.9481 cost: -0.3031 min: -0.4701 max: 2.4263 USE_META, weight: 0.8589 cost: -0.0161 min: -0.4701 max: 2.4263 USE_META, weight: 0.8703 cost: -0.0528 min: -0.4701 max: 2.4263 USE_META, weight: 0.8629 cost: -0.0288 min: -0.4701 max: 2.4263 USE_META, weight: 0.8632 cost: -0.0298 min: -0.4701 max: 2.4263 USE_META, weight: 0.8520 cost: 0.0063 min: -0.4701 max: 2.4263 USE_META, weight: 0.8927 cost: -0.1249 min: -0.4701 max: 2.4263 USE_META, weight: 0.9851 cost: -0.4222 min: -0.4701 max: 2.4263 USE_META, weight: 0.8941 cost: -0.1293 min: -0.4701 max: 2.4263 USE_META, weight: 0.5064 cost: 1.1184 min: -0.4701 max: 2.4263 USE_META, weight: 0.5091 cost: 1.1098 min: -0.4701 max: 2.4263 USE_META, weight: 0.4546 cost: 1.2852 min: -0.4701 max: 2.4263 USE_META, weight: 0.4300 cost: 1.3644 min: -0.4701 max: 2.4263 USE_META, weight: 0.4648 cost: 1.2522 min: -0.4701 max: 2.4263 USE_META, weight: 0.9171 cost: -0.2032 min: -0.4701 max: 2.4263 USE_META, weight: 0.5101 cost: 1.1064 min: -0.4701 max: 2.4263 USE_META, weight: 0.5075 cost: 1.1150 min: -0.4701 max: 2.4263 USE_META, weight: 0.4840 cost: 1.1907 min: -0.4701 max: 2.4263 USE_META, weight: 0.4613 cost: 1.2636 min: -0.4701 max: 2.4263 USE_META, weight: 0.8596 cost: -0.0183 min: -0.4701 max: 2.4263 USE_META, weight: 0.9517 cost: -0.3146 min: -0.4701 max: 2.4263 USE_META, weight: 0.8709 cost: -0.0547 min: -0.4701 max: 2.4263 USE_META, weight: 0.8610 cost: -0.0227 min: -0.4701 max: 2.4263 USE_META, weight: 0.8374 cost: 0.0531 min: -0.4701 max: 2.4263 USE_META, weight: 0.9244 cost: -0.2267 min: -0.4701 max: 2.4263 USE_META, weight: 0.8704 cost: -0.0531 min: -0.4701 max: 2.4263 USE_META, weight: 0.9476 cost: -0.3016 min: -0.4701 max: 2.4263 USE_META, weight: 0.9780 cost: -0.3994 min: -0.4701 max: 2.4263 USE_META, weight: 0.9830 cost: -0.4154 min: -0.4701 max: 2.4263 USE_META, weight: 0.9452 cost: -0.2936 min: -0.4701 max: 2.4263 USE_META, weight: 0.8481 cost: 0.0188 min: -0.4701 max: 2.4263 USE_META, weight: 0.8491 cost: 0.0156 min: -0.4701 max: 2.4263 USE_META, weight: 0.8562 cost: -0.0074 min: -0.4701 max: 2.4263 USE_META, weight: 0.8628 cost: -0.0286 min: -0.4701 max: 2.4263 USE_META, weight: 0.8532 cost: 0.0023 min: -0.4701 max: 2.4263 USE_META, weight: 0.8683 cost: -0.0463 min: -0.4701 max: 2.4263 USE_META, weight: 0.8522 cost: 0.0055 min: -0.4701 max: 2.4263 USE_META, weight: 0.8217 cost: 0.1038 min: -0.4701 max: 2.4263 USE_META, weight: 0.9659 cost: -0.3605 min: -0.4701 max: 2.4263 USE_META, weight: 0.9576 cost: -0.3336 min: -0.4701 max: 2.4263 USE_META, weight: 0.9516 cost: -0.3145 min: -0.4701 max: 2.4263 USE_META, weight: 0.9642 cost: -0.3550 min: -0.4701 max: 2.4263 USE_META, weight: 0.9376 cost: -0.2694 min: -0.4701 max: 2.4263 USE_META, weight: 0.9079 cost: -0.1738 min: -0.4701 max: 2.4263 USE_META, weight: 0.9269 cost: -0.2348 min: -0.4701 max: 2.4263 USE_META, weight: 0.9615 cost: -0.3463 min: -0.4701 max: 2.4263 USE_META, weight: 0.9772 cost: -0.3968 min: -0.4701 max: 2.4263 USE_META, weight: 0.9610 cost: -0.3445 min: -0.4701 max: 2.4263 USE_META, weight: 0.9144 cost: -0.1948 min: -0.4701 max: 2.4263 USE_META, weight: 0.9383 cost: -0.2714 min: -0.4701 max: 2.4263 USE_META, weight: 0.8535 cost: 0.0015 min: -0.4701 max: 2.4263 USE_META, weight: 0.8532 cost: 0.0023 min: -0.4701 max: 2.4263 USE_META, weight: 0.8641 cost: -0.0328 min: -0.4701 max: 2.4263 USE_META, weight: 0.8628 cost: -0.0286 min: -0.4701 max: 2.4263 USE_META, weight: 0.8481 cost: 0.0188 min: -0.4701 max: 2.4263 USE_META, weight: 0.9673 cost: -0.3649 min: -0.4701 max: 2.4263 USE_META, weight: 0.8814 cost: -0.0884 min: -0.4701 max: 2.4263 USE_META, weight: 0.8983 cost: -0.1427 min: -0.4701 max: 2.4263 USE_META, weight: 0.9525 cost: -0.3174 min: -0.4701 max: 2.4263 USE_META, weight: 0.9397 cost: -0.2760 min: -0.4701 max: 2.4263 USE_META, weight: 0.4611 cost: 1.2641 min: -0.4701 max: 2.4263 USE_META, weight: 0.4606 cost: 1.2658 min: -0.4701 max: 2.4263 USE_META, weight: 0.4604 cost: 1.2665 min: -0.4701 max: 2.4263 USE_META, weight: 0.4599 cost: 1.2680 min: -0.4701 max: 2.4263 USE_META, weight: 0.4603 cost: 1.2669 min: -0.4701 max: 2.4263 USE_META, weight: 0.4608 cost: 1.2653 min: -0.4701 max: 2.4263 USE_META, weight: 0.4607 cost: 1.2654 min: -0.4701 max: 2.4263 USE_META, weight: 0.4607 cost: 1.2655 min: -0.4701 max: 2.4263 USE_META, weight: 0.4607 cost: 1.2656 min: -0.4701 max: 2.4263 USE_META, weight: 0.4607 cost: 1.2654 min: -0.4701 max: 2.4263 USE_META, weight: 0.8911 cost: -0.1197 min: -0.4701 max: 2.4263 USE_META, weight: 0.9195 cost: -0.2111 min: -0.4701 max: 2.4263 USE_META, weight: 0.9616 cost: -0.3465 min: -0.4701 max: 2.4263 USE_META, weight: 0.9051 cost: -0.1646 min: -0.4701 max: 2.4263 USE_META, weight: 0.8697 cost: -0.0510 min: -0.4701 max: 2.4263 USE_META, weight: 0.8455 cost: 0.0271 min: -0.4701 max: 2.4263 USE_META, weight: 0.9649 cost: -0.3572 min: -0.4701 max: 2.4263 USE_META, weight: 0.8417 cost: 0.0394 min: -0.4701 max: 2.4263 USE_META, weight: 0.8370 cost: 0.0543 min: -0.4701 max: 2.4263 USE_META, weight: 0.8601 cost: -0.0200 min: -0.4701 max: 2.4263 USE_META, weight: 0.8716 cost: -0.0568 min: -0.4701 max: 2.4263 USE_META, weight: 0.9726 cost: -0.3820 min: -0.4701 max: 2.4263 USE_META, weight: 0.8362 cost: 0.0571 min: -0.4701 max: 2.4263 USE_META, weight: 0.8622 cost: -0.0267 min: -0.4701 max: 2.4263 USE_META, weight: 0.8646 cost: -0.0343 min: -0.4701 max: 2.4263 USE_META, weight: 0.8475 cost: 0.0206 min: -0.4701 max: 2.4263 USE_META, weight: 0.9647 cost: -0.3565 min: -0.4701 max: 2.4263 USE_META, weight: 0.9305 cost: -0.2464 min: -0.4701 max: 2.4263 USE_META, weight: 0.8561 cost: -0.0069 min: -0.4701 max: 2.4263 USE_META, weight: 0.9470 cost: -0.2995 min: -0.4701 max: 2.4263 USE_META, weight: 0.4608 cost: 1.2653 min: -0.4701 max: 2.4263 USE_META, weight: 0.4608 cost: 1.2653 min: -0.4701 max: 2.4263 USE_META, weight: 0.4605 cost: 1.2662 min: -0.4701 max: 2.4263 USE_META, weight: 0.4606 cost: 1.2658 min: -0.4701 max: 2.4263 USE_META, weight: 0.4606 cost: 1.2658 min: -0.4701 max: 2.4263 USE_META, weight: 0.8902 cost: -0.1167 min: -0.4701 max: 2.4263 USE_META, weight: 0.4608 cost: 1.2653 min: -0.4701 max: 2.4263 USE_META, weight: 0.4608 cost: 1.2653 min: -0.4701 max: 2.4263 USE_META, weight: 0.4605 cost: 1.2662 min: -0.4701 max: 2.4263 USE_META, weight: 0.4606 cost: 1.2658 min: -0.4701 max: 2.4263 USE_META, weight: 0.4606 cost: 1.2658 min: -0.4701 max: 2.4263 USE_META, weight: 0.9938 cost: -0.4503 min: -0.4701 max: 2.4263 USE_META, weight: 0.9959 cost: -0.4570 min: -0.4701 max: 2.4263 USE_META, weight: 0.9909 cost: -0.4408 min: -0.4701 max: 2.4263 USE_META, weight: 0.8770 cost: -0.0743 min: -0.4701 max: 2.4263 USE_META, weight: 0.8831 cost: -0.0939 min: -0.4701 max: 2.4263 USE_META, weight: 0.9141 cost: -0.1936 min: -0.4701 max: 2.4263 USE_META, weight: 0.9318 cost: -0.2506 min: -0.4701 max: 2.4263 USE_META, weight: 0.4600 cost: 1.2677 min: -0.4701 max: 2.4263 USE_META, weight: 0.4603 cost: 1.2669 min: -0.4701 max: 2.4263 USE_META, weight: 0.4608 cost: 1.2653 min: -0.4701 max: 2.4263 USE_META, weight: 0.4604 cost: 1.2664 min: -0.4701 max: 2.4263 USE_META, weight: 0.5147 cost: 1.0918 min: -0.4701 max: 2.4263 USE_META, weight: 0.4643 cost: 1.2540 min: -0.4701 max: 2.4263 USE_META, weight: 0.5187 cost: 1.0789 min: -0.4701 max: 2.4263 USE_META, weight: 0.4516 cost: 1.2948 min: -0.4701 max: 2.4263 USE_META, weight: 0.5150 cost: 1.0908 min: -0.4701 max: 2.4263 USE_META, weight: 0.1749 cost: 2.1854 min: -0.4701 max: 2.4263 USE_META, weight: 0.2372 cost: 1.9848 min: -0.4701 max: 2.4263 USE_META, weight: 0.1267 cost: 2.3404 min: -0.4701 max: 2.4263 USE_META, weight: 0.2085 cost: 2.0771 min: -0.4701 max: 2.4263 USE_META, weight: 0.1584 cost: 2.2384 min: -0.4701 max: 2.4263 USE_META, weight: 0.9872 cost: -0.4290 min: -0.4701 max: 2.4263 USE_META, weight: 0.9691 cost: -0.3707 min: -0.4701 max: 2.4263 USE_META, weight: 0.9596 cost: -0.3403 min: -0.4701 max: 2.4263 USE_META, weight: 0.9399 cost: -0.2766 min: -0.4701 max: 2.4263 USE_META, weight: 0.8949 cost: -0.1319 min: -0.4701 max: 2.4263 USE_META, weight: 0.8892 cost: -0.1135 min: -0.4701 max: 2.4263 USE_META, weight: 0.8539 cost: 0.0001 min: -0.4701 max: 2.4263 USE_META, weight: 0.9478 cost: -0.3021 min: -0.4701 max: 2.4263 USE_META, weight: 0.8309 cost: 0.0740 min: -0.4701 max: 2.4263 USE_META, weight: 0.7412 cost: 0.3626 min: -0.4701 max: 2.4263 USE_META, weight: 0.8341 cost: 0.0638 min: -0.4701 max: 2.4263 USE_META, weight: 0.7979 cost: 0.1802 min: -0.4701 max: 2.4263 USE_META, weight: 0.7273 cost: 0.4074 min: -0.4701 max: 2.4263 USE_META, weight: 0.8934 cost: -0.1270 min: -0.4701 max: 2.4263 USE_EVALUE, weight: 0.9675 eval: 0.0170 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.9675 eval: 0.0170 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.9675 eval: 0.0170 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.9999 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.9999 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.9999 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.9600 eval: 0.0209 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.9600 eval: 0.0209 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.9600 eval: 0.0209 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.9939 eval: 0.0032 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.9939 eval: 0.0032 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.9939 eval: 0.0032 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.9946 eval: 0.0028 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.9946 eval: 0.0028 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.9946 eval: 0.0028 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.9999 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.9999 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.9999 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.9841 eval: 0.0083 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.9841 eval: 0.0083 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.9841 eval: 0.0083 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.9806 eval: 0.0101 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.9806 eval: 0.0101 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.9806 eval: 0.0101 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.9692 eval: 0.0161 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.9692 eval: 0.0161 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.9692 eval: 0.0161 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.6203 eval: 0.1982 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.6203 eval: 0.1982 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.6203 eval: 0.1982 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.5117 eval: 0.2549 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.5117 eval: 0.2549 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.5117 eval: 0.2549 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.9806 eval: 0.0101 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.9806 eval: 0.0101 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.9806 eval: 0.0101 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.9053 eval: 0.0495 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.9053 eval: 0.0495 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.9053 eval: 0.0495 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.9786 eval: 0.0112 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.9786 eval: 0.0112 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.9786 eval: 0.0112 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.9388 eval: 0.0320 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.9388 eval: 0.0320 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.9388 eval: 0.0320 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.3357 eval: 0.3468 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.3357 eval: 0.3468 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.3357 eval: 0.3468 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.9523 eval: 0.0249 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.9523 eval: 0.0249 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.9523 eval: 0.0249 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.9506 eval: 0.0258 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.9506 eval: 0.0258 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.9506 eval: 0.0258 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.9614 eval: 0.0201 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.9614 eval: 0.0201 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.9614 eval: 0.0201 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.9999 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.9999 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.9999 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.7024 eval: 0.1554 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.7024 eval: 0.1554 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.7024 eval: 0.1554 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.9998 eval: 0.0001 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.9998 eval: 0.0001 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.9998 eval: 0.0001 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.1000 eval: 0.4699 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.1000 eval: 0.4699 min: 0.0000 max: 0.4699 USE_EVALUE, weight: 0.1000 eval: 0.4699 min: 0.0000 max: 0.4699 Number of contacts in models: 254 Number of contacts in alignments: 144 NUMB_ALIGNS: 144 Adding 14003 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: -526.4170, CN propb: -526.4170 weights: 0.3353 constraints: 1346 # command:Found ConstraintSet # PrintContacts align.constraints_meta03 Number of constraints in align3.constraints 1346 # command:Found ConstraintSet # PrintContacts align_bonus.constraints_meta03 Number of constraints in align3.constraints.bonus 1346 # command:Found ConstraintSet # PrintContacts rejected.constraints_meta03 Number of constraints in rejected3.constraints 12657 # command:Found ConstraintSet # PrintContacts rejected_bonus.constraints_meta03 Number of constraints in rejected3.constraints.bonus 12657 # 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 14003 # command: