# 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/T0301/ # command:# Making conformation for sequence T0301 numbered 1 through 395 Created new target T0301 from T0301.a2m # command:# Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0301/ # command:Warning: Couldn't open file /projects/compbio/experiments/protein-predict/casp7/T0301//projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0301/manyalignments-good-all.under or /projects/compbio/experiments/protein-predict/casp7/T0301//projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0301/manyalignments-good-all.under.gz for input Trying /projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0301/manyalignments-good-all.under # reading script from file /projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0301/manyalignments-good-all.under # Reading fragments from alignment file # Attempting to read fragment alignments from file 1wc3A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1wc3A expands to /projects/compbio/data/pdb/1wc3.pdb.gz 1wc3A:# T0301 read from 1wc3A/merged-good-all-a2m # 1wc3A read from 1wc3A/merged-good-all-a2m # adding 1wc3A to template set # found chain 1wc3A in template set Warning: unaligning (T0301)N196 because first residue in template chain is (1wc3A)S1002 T0301 197 :LV 1wc3A 1003 :HM # choosing archetypes in rotamer library T0301 205 :GVGTFKATM 1wc3A 1005 :RPEPRLITI T0301 221 :VFVNAEEI 1wc3A 1014 :LFSDIVGF T0301 233 :TELREEING 1wc3A 1022 :TRMSNALQS T0301 243 :PQQLARFERIRVAGALRM 1wc3A 1031 :QGVAELLNEYLGEMTRAV T0301 288 :RTASGKLVAAGDIDLLVRALSMGKLHHAMMGTAAVAIGTAAA 1wc3A 1049 :FENQGTVDKFVGDAIMALYGAPEEMSPSEQVRRAIATARQML T0301 338 :A 1wc3A 1096 :L T0301 340 :GGGERSA 1wc3A 1107 :GRNEVPP T0301 347 :VRFGHPSGTLRVGAEASQANGEWTVTKAIMSRSA 1wc3A 1116 :FRCGIHQGMAVVGLFGSQERSDFTAIGPSVNIAA T0301 382 :ILME 1wc3A 1150 :RLQE Number of specific fragments extracted= 10 number of extra gaps= 0 total=10 Number of alignments=1 # 1wc3A read from 1wc3A/merged-good-all-a2m # found chain 1wc3A in template set T0301 211 :AT 1wc3A 1011 :IT T0301 220 :TVFVNAEEI 1wc3A 1013 :ILFSDIVGF T0301 233 :TELREEING 1wc3A 1022 :TRMSNALQS T0301 243 :PQQLARFERIRVAGALR 1wc3A 1031 :QGVAELLNEYLGEMTRA T0301 269 :AA 1wc3A 1048 :VF T0301 289 :TASGKLVAAGDIDLLVRALSMGKLHHAMMGTAAVAIGTAAA 1wc3A 1050 :ENQGTVDKFVGDAIMALYGAPEEMSPSEQVRRAIATARQML T0301 336 :NLA 1wc3A 1094 :EKL T0301 340 :GGG 1wc3A 1107 :GRN T0301 343 :ERSAVRFGHPSGTLRVGAEASQANGEWTVTKAIMSR 1wc3A 1112 :PPVRFRCGIHQGMAVVGLFGSQERSDFTAIGPSVNI T0301 380 :ARILME 1wc3A 1148 :AARLQE Number of specific fragments extracted= 10 number of extra gaps= 0 total=20 Number of alignments=2 # 1wc3A read from 1wc3A/merged-good-all-a2m # found chain 1wc3A in template set T0301 220 :TVFVNAEEI 1wc3A 1013 :ILFSDIVGF T0301 233 :TELREEING 1wc3A 1022 :TRMSNALQS T0301 243 :PQQLARFERIRVAGA 1wc3A 1031 :QGVAELLNEYLGEMT T0301 267 :EEAATR 1wc3A 1046 :RAVFEN T0301 291 :SGKLVAAGDIDLLVRALSMGKLHHAMMGTAAVAIGTA 1wc3A 1052 :QGTVDKFVGDAIMALYGAPEEMSPSEQVRRAIATARQ T0301 338 :AA 1wc3A 1089 :ML T0301 340 :GGGERSAVRFGHPSGTLRVGAEASQANGEWTVTKAIMSRSAR 1wc3A 1109 :NEVPPVRFRCGIHQGMAVVGLFGSQERSDFTAIGPSVNIAAR T0301 383 :LME 1wc3A 1151 :LQE Number of specific fragments extracted= 8 number of extra gaps= 0 total=28 Number of alignments=3 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1sdjA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1sdjA expands to /projects/compbio/data/pdb/1sdj.pdb.gz 1sdjA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # T0301 read from 1sdjA/merged-good-all-a2m # 1sdjA read from 1sdjA/merged-good-all-a2m # adding 1sdjA to template set # found chain 1sdjA in template set T0301 17 :GTSKGVFFRLEDLP 1sdjA 18 :GNSAGVVFPADNLS T0301 37 :GEARDRLFMRV 1sdjA 32 :EAQMQLIAREL T0301 67 :STSKCVILSKSSQPGHDVDYL 1sdjA 43 :GHSETAFLLHSDDSDVRIRYF T0301 93 :IDKPFV 1sdjA 64 :TPTVEV T0301 102 :GNCGNLSTGAGAF 1sdjA 70 :PICGHATVAAHYV T0301 115 :ALHAGL 1sdjA 84 :AKVLGL T0301 128 :EDGIC 1sdjA 90 :GNCTI T0301 137 :WQANIGKTIIAHVPVSGGQVQETGDFELD 1sdjA 95 :WQTSLAGKHRVTIEKHNDDYRISLEQGTP T0301 177 :EFLDPSDD 1sdjA 124 :GFEPPLEG T0301 186 :E 1sdjA 132 :E T0301 187 :DGGAI 1sdjA 144 :TEDDI T0301 203 :VPGV 1sdjA 149 :LPGL T0301 210 :KATMINAGIPTVFVNAE 1sdjA 153 :PIQVATTGHSKVMIPLK T0301 227 :EIGYRGTEL 1sdjA 171 :EVDIDALSP T0301 246 :LARFERIR 1sdjA 181 :LNALTAIS T0301 258 :LRMGL 1sdjA 189 :KKIGC T0301 275 :TPKIAFVAPP 1sdjA 194 :NGFFPFQIRP T0301 298 :GDIDLLVRALSMGKLHHA 1sdjA 204 :GKNETDGRMFSPAIGIVE T0301 316 :MMGTAAVAIGTAA 1sdjA 224 :VTGNANGPMGAWL T0301 335 :VNLAAG 1sdjA 237 :VHHNVL T0301 341 :GGERSAVRFGHPS 1sdjA 245 :DGNVLRVKGHQGR T0301 354 :GTLRVGAEAS 1sdjA 263 :GMIEVTVTIR T0301 366 :NG 1sdjA 273 :DN T0301 370 :TVTKA 1sdjA 275 :QPEKV Number of specific fragments extracted= 24 number of extra gaps= 0 total=52 Number of alignments=4 # 1sdjA read from 1sdjA/merged-good-all-a2m # found chain 1sdjA in template set T0301 17 :GTSKGVFFRLEDLP 1sdjA 18 :GNSAGVVFPADNLS T0301 37 :GEARDRLFMRV 1sdjA 32 :EAQMQLIAREL T0301 67 :STSKCVILSKSSQPGHDVDYL 1sdjA 43 :GHSETAFLLHSDDSDVRIRYF T0301 93 :IDKPFV 1sdjA 64 :TPTVEV T0301 102 :GNCGNLSTGAGAFALH 1sdjA 70 :PICGHATVAAHYVRAK T0301 118 :AGL 1sdjA 87 :LGL T0301 129 :DGIC 1sdjA 90 :GNCT T0301 136 :IWQANIGKTIIAHVPVSGGQVQETGDFEL 1sdjA 94 :IWQTSLAGKHRVTIEKHNDDYRISLEQGT T0301 176 :LEFLDPSDD 1sdjA 123 :PGFEPPLEG T0301 186 :E 1sdjA 132 :E T0301 187 :DGGAIFP 1sdjA 144 :TEDDILP T0301 208 :TFKATMINAGIPTVFVNAE 1sdjA 151 :GLPIQVATTGHSKVMIPLK T0301 227 :EIGYRGTEL 1sdjA 171 :EVDIDALSP T0301 242 :D 1sdjA 180 :D T0301 246 :LARFERIRV 1sdjA 181 :LNALTAISK T0301 259 :RMGL 1sdjA 190 :KIGC T0301 275 :TPKIAFVAPP 1sdjA 194 :NGFFPFQIRP T0301 298 :GDIDLLVRALSMGKLHHA 1sdjA 204 :GKNETDGRMFSPAIGIVE T0301 316 :MMGTAAVAIGTAAA 1sdjA 224 :VTGNANGPMGAWLV T0301 336 :NLAAG 1sdjA 238 :HHNVL T0301 341 :GGERSAVRFGHPS 1sdjA 245 :DGNVLRVKGHQGR T0301 354 :GTLRVGAEASQA 1sdjA 263 :GMIEVTVTIRDN T0301 370 :TVTKA 1sdjA 275 :QPEKV Number of specific fragments extracted= 23 number of extra gaps= 0 total=75 Number of alignments=5 # 1sdjA read from 1sdjA/merged-good-all-a2m # found chain 1sdjA in template set T0301 17 :GTSKGVFFRLEDLP 1sdjA 18 :GNSAGVVFPADNLS T0301 37 :GEARDRLFMRV 1sdjA 32 :EAQMQLIAREL T0301 67 :STSKCVILSKSSQPGHDVDYL 1sdjA 43 :GHSETAFLLHSDDSDVRIRYF T0301 93 :IDKPFV 1sdjA 64 :TPTVEV T0301 102 :GNCGNLSTGAGAFALH 1sdjA 70 :PICGHATVAAHYVRAK T0301 118 :AGL 1sdjA 87 :LGL T0301 128 :EDGICEVR 1sdjA 90 :GNCTIWQT T0301 140 :NIGKTIIAHVPVSGGQVQETGDFEL 1sdjA 98 :SLAGKHRVTIEKHNDDYRISLEQGT T0301 176 :LEFLDPSD 1sdjA 123 :PGFEPPLE T0301 185 :GEDGGAIFP 1sdjA 142 :HLTEDDILP T0301 195 :GNLVDDLE 1sdjA 151 :GLPIQVAT T0301 216 :AGIPTVFVNAE 1sdjA 159 :TGHSKVMIPLK T0301 227 :EIGYRGTEL 1sdjA 171 :EVDIDALSP T0301 246 :LARFERIRVAG 1sdjA 181 :LNALTAISKKI T0301 273 :QHTPKIAFVAPPRDY 1sdjA 192 :GCNGFFPFQIRPGKN T0301 301 :DLLVRALSMGKLHH 1sdjA 207 :ETDGRMFSPAIGIV T0301 315 :AMMGTAAVAIGTAAA 1sdjA 223 :PVTGNANGPMGAWLV T0301 336 :NLAAG 1sdjA 238 :HHNVL T0301 341 :GGERSAVRFGH 1sdjA 245 :DGNVLRVKGHQ T0301 352 :PSGTLRVGAEASQA 1sdjA 261 :RDGMIEVTVTIRDN T0301 370 :TVTKA 1sdjA 275 :QPEKV Number of specific fragments extracted= 21 number of extra gaps= 0 total=96 Number of alignments=6 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2gkeA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2gkeA expands to /projects/compbio/data/pdb/2gke.pdb.gz 2gkeA:Skipped atom 758, because occupancy 0.5 <= existing 0.500 in 2gkeA Skipped atom 760, because occupancy 0.500 <= existing 0.500 in 2gkeA Skipped atom 786, because occupancy 0.500 <= existing 0.500 in 2gkeA Skipped atom 788, because occupancy 0.500 <= existing 0.500 in 2gkeA Skipped atom 790, because occupancy 0.500 <= existing 0.500 in 2gkeA Skipped atom 792, because occupancy 0.500 <= existing 0.500 in 2gkeA Skipped atom 794, because occupancy 0.500 <= existing 0.500 in 2gkeA Skipped atom 1264, because occupancy 0.500 <= existing 0.500 in 2gkeA Skipped atom 1266, because occupancy 0.500 <= existing 0.500 in 2gkeA Skipped atom 1310, because occupancy 0.500 <= existing 0.500 in 2gkeA Skipped atom 1312, because occupancy 0.500 <= existing 0.500 in 2gkeA Skipped atom 1314, because occupancy 0.500 <= existing 0.500 in 2gkeA Skipped atom 1316, because occupancy 0.500 <= existing 0.500 in 2gkeA Skipped atom 1428, because occupancy 0.500 <= existing 0.500 in 2gkeA Skipped atom 1430, because occupancy 0.500 <= existing 0.500 in 2gkeA Skipped atom 1927, because occupancy 0.500 <= existing 0.500 in 2gkeA Skipped atom 1929, because occupancy 0.500 <= existing 0.500 in 2gkeA Skipped atom 1931, because occupancy 0.500 <= existing 0.500 in 2gkeA Skipped atom 1933, because occupancy 0.500 <= existing 0.500 in 2gkeA # T0301 read from 2gkeA/merged-good-all-a2m # 2gkeA read from 2gkeA/merged-good-all-a2m # adding 2gkeA to template set # found chain 2gkeA in template set Warning: unaligning (T0301)G21 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2gkeA)V14 Warning: unaligning (T0301)V22 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2gkeA)V14 Warning: unaligning (T0301)A211 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2gkeA)G151 Warning: unaligning (T0301)T212 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2gkeA)G151 T0301 10 :PATYLRGGTSK 2gkeA 2 :QFSKMHGLGND T0301 23 :FFR 2gkeA 15 :VVD T0301 28 :DLPESCRVPGEARDRLF 2gkeA 18 :GVTQNVFFTPETIRRLA T0301 51 :PDPYAAH 2gkeA 35 :NRHCGIG T0301 68 :TSKCVILSKSSQPGHDVDYLYGQ 2gkeA 42 :FDQLLIVEAPYDPELDFHYRIFN T0301 93 :IDKPFV 2gkeA 65 :ADGSEV T0301 102 :GNCGNLSTGAGAFALHAGLVDPA 2gkeA 71 :SQCGNGARCFARFVTLKGLTNKK T0301 131 :ICEVR 2gkeA 94 :DISVS T0301 140 :NIGKTIIAH 2gkeA 99 :TQKGNMVLT T0301 168 :TFPAAEIVLEFLDPSDDGEDGGAIFPTGNLVDDLEV 2gkeA 108 :VKDDNQIRVNMGEPIWEPAKIPFTANKFEKNYILRT T0301 205 :GVGTFK 2gkeA 144 :DIQTVL T0301 213 :MINAGIPTVFVNAEEIGYRG 2gkeA 152 :AVSMGNPHCVVQVDDIQTAN T0301 243 :PQQLARFE 2gkeA 173 :EQLGPLLE T0301 261 :GL 2gkeA 181 :SH T0301 268 :EAA 2gkeA 183 :ERF T0301 273 :QHTPKIAFV 2gkeA 186 :PERVNAGFM T0301 293 :KLVAAG 2gkeA 195 :QIINKE T0301 301 :DLLVRALSMGK 2gkeA 201 :HIKLRVYERGA T0301 312 :LHHAMMGTAAVAIGTAA 2gkeA 213 :ETQACGSGACAAVAVGI T0301 339 :AGGGERSAVRFGHPSGTLRV 2gkeA 230 :MQGLLNNNVQVDLPGGSLMI T0301 361 :EASQANGEWTVT 2gkeA 250 :EWNGVGHPLYMT Number of specific fragments extracted= 21 number of extra gaps= 2 total=117 Number of alignments=7 # 2gkeA read from 2gkeA/merged-good-all-a2m # found chain 2gkeA in template set Warning: unaligning (T0301)G21 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2gkeA)V14 Warning: unaligning (T0301)V22 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2gkeA)V14 Warning: unaligning (T0301)A211 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2gkeA)G151 Warning: unaligning (T0301)T212 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2gkeA)G151 T0301 10 :PATYLRGGTSK 2gkeA 2 :QFSKMHGLGND T0301 23 :FFR 2gkeA 15 :VVD T0301 28 :DLPESCRVPGEARDRLF 2gkeA 18 :GVTQNVFFTPETIRRLA T0301 51 :PDPYAAH 2gkeA 35 :NRHCGIG T0301 68 :TSKCVILSKSSQPGHDVDYLYGQ 2gkeA 42 :FDQLLIVEAPYDPELDFHYRIFN T0301 93 :IDKPFV 2gkeA 65 :ADGSEV T0301 102 :GNCGNLSTGAGAFALHAGLVDPA 2gkeA 71 :SQCGNGARCFARFVTLKGLTNKK T0301 131 :ICEVR 2gkeA 94 :DISVS T0301 151 :VSGGQVQET 2gkeA 99 :TQKGNMVLT T0301 168 :TFPAAEIVLEFLDPSDDGEDGGA 2gkeA 108 :VKDDNQIRVNMGEPIWEPAKIPF T0301 193 :PTGNLVDDLEVP 2gkeA 131 :TANKFEKNYILR T0301 205 :GVGTFK 2gkeA 144 :DIQTVL T0301 213 :MINAGIPTVFVNAEEIGYRG 2gkeA 152 :AVSMGNPHCVVQVDDIQTAN T0301 243 :PQQLARFE 2gkeA 173 :EQLGPLLE T0301 261 :GL 2gkeA 184 :RF T0301 273 :QHTPKIAFVA 2gkeA 186 :PERVNAGFMQ T0301 294 :LVAAG 2gkeA 196 :IINKE T0301 301 :DLLVRALSMG 2gkeA 201 :HIKLRVYERG T0301 311 :KLHHAMMGTAAVAIGTAAA 2gkeA 212 :GETQACGSGACAAVAVGIM T0301 340 :GGGERSAVRFGHPSGTLRV 2gkeA 231 :QGLLNNNVQVDLPGGSLMI T0301 361 :EASQANGEWTVT 2gkeA 250 :EWNGVGHPLYMT Number of specific fragments extracted= 21 number of extra gaps= 2 total=138 Number of alignments=8 # 2gkeA read from 2gkeA/merged-good-all-a2m # found chain 2gkeA in template set Warning: unaligning (T0301)F23 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2gkeA)V14 Warning: unaligning (T0301)F24 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2gkeA)V14 Warning: unaligning (T0301)A211 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2gkeA)G151 Warning: unaligning (T0301)T212 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2gkeA)G151 T0301 10 :PATYLRGGTS 2gkeA 2 :QFSKMHGLGN T0301 22 :V 2gkeA 12 :D T0301 25 :RLEDLPESCRVPGEARDRLF 2gkeA 15 :VVDGVTQNVFFTPETIRRLA T0301 51 :PDPYAAHI 2gkeA 35 :NRHCGIGF T0301 69 :SKCVILSKSSQPGHDVDYLYGQ 2gkeA 43 :DQLLIVEAPYDPELDFHYRIFN T0301 93 :IDKPFV 2gkeA 65 :ADGSEV T0301 102 :GNCGNLSTGAGAFALHAGLVDP 2gkeA 71 :SQCGNGARCFARFVTLKGLTNK T0301 130 :GICEVR 2gkeA 93 :KDISVS T0301 140 :NIGKTIIAHV 2gkeA 99 :TQKGNMVLTV T0301 169 :FPAAEIVLEFLDPSDDGEDGG 2gkeA 109 :KDDNQIRVNMGEPIWEPAKIP T0301 192 :FPTGNLVDDLEVP 2gkeA 130 :FTANKFEKNYILR T0301 205 :GVGTFK 2gkeA 144 :DIQTVL T0301 213 :MINAGIPTVFVNAEEIGYRG 2gkeA 152 :AVSMGNPHCVVQVDDIQTAN T0301 243 :PQQLARFE 2gkeA 173 :EQLGPLLE T0301 272 :RQHTPKIAFV 2gkeA 185 :FPERVNAGFM T0301 293 :KLVAAGDIDLLVRALSMGKL 2gkeA 195 :QIINKEHIKLRVYERGAGET T0301 314 :HAMMGTAAVAIGTAA 2gkeA 215 :QACGSGACAAVAVGI T0301 339 :AGGGERSAVRFGHPSGTLRV 2gkeA 230 :MQGLLNNNVQVDLPGGSLMI T0301 361 :EASQANGEWTVT 2gkeA 250 :EWNGVGHPLYMT Number of specific fragments extracted= 19 number of extra gaps= 2 total=157 Number of alignments=9 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1ym5A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1ym5A expands to /projects/compbio/data/pdb/1ym5.pdb.gz 1ym5A:# T0301 read from 1ym5A/merged-good-all-a2m # 1ym5A read from 1ym5A/merged-good-all-a2m # adding 1ym5A to template set # found chain 1ym5A in template set Warning: unaligning (T0301)A225 because of BadResidue code BAD_PEPTIDE in next template residue (1ym5A)E168 Warning: unaligning (T0301)E226 because of BadResidue code BAD_PEPTIDE at template residue (1ym5A)E168 Warning: unaligning (T0301)L302 because of BadResidue code BAD_PEPTIDE in next template residue (1ym5A)E211 Warning: unaligning (T0301)L303 because of BadResidue code BAD_PEPTIDE at template residue (1ym5A)E211 Warning: unaligning (T0301)H351 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1ym5A)G255 Warning: unaligning (T0301)P352 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1ym5A)G255 T0301 19 :SKGVFFRLEDLPES 1ym5A 21 :NPVAVINFLEIDEN T0301 34 :RVPGEARDRLFMRV 1ym5A 35 :EVSQEELQAIANWT T0301 67 :STSKCVILSKSSQPGHDVDYL 1ym5A 49 :NLSETTFLFKPSDKKYDYKLR T0301 91 :VSIDKPFVDW 1ym5A 70 :IFTPRSELPF T0301 104 :CGNLSTGAGAFALH 1ym5A 80 :AGHPTIGSCKAFLE T0301 118 :AGL 1ym5A 95 :TKN T0301 127 :PEDGICEVRI 1ym5A 98 :TTATSLVQEC T0301 140 :NI 1ym5A 108 :KI T0301 143 :KTI 1ym5A 110 :GAV T0301 148 :HVPVSGGQVQET 1ym5A 113 :PITINEGLISFK T0301 160 :GDFELD 1ym5A 126 :PMADYE T0301 166 :GVT 1ym5A 146 :GLK T0301 178 :FLD 1ym5A 149 :FIK T0301 210 :KATMINAGIPTVFVN 1ym5A 152 :PPALLHTGPEWIVAL T0301 227 :EI 1ym5A 169 :DA T0301 236 :REEINGD 1ym5A 171 :ETCFNAN T0301 243 :PQQLARFERI 1ym5A 181 :AMLAHQTKQN T0301 274 :HTPKIAFVAPPRDYR 1ym5A 191 :DHVGIILAGPKKEAA T0301 298 :GDID 1ym5A 206 :IKNS T0301 304 :VRALSMGK 1ym5A 212 :MRAFAPVI T0301 313 :HHAMMGTAAVAIGTAA 1ym5A 223 :EDPVCGSGSVALARYL T0301 336 :NLAAGGGERSAVRFG 1ym5A 239 :QEVYKFEKTTDITIS T0301 353 :SGTLRVGAE 1ym5A 261 :NGLMLASIK T0301 363 :SQANGEWTVT 1ym5A 270 :KEADNSTSYY Number of specific fragments extracted= 24 number of extra gaps= 3 total=181 Number of alignments=10 # 1ym5A read from 1ym5A/merged-good-all-a2m # found chain 1ym5A in template set Warning: unaligning (T0301)A225 because of BadResidue code BAD_PEPTIDE in next template residue (1ym5A)E168 Warning: unaligning (T0301)E226 because of BadResidue code BAD_PEPTIDE at template residue (1ym5A)E168 Warning: unaligning (T0301)L302 because of BadResidue code BAD_PEPTIDE in next template residue (1ym5A)E211 Warning: unaligning (T0301)L303 because of BadResidue code BAD_PEPTIDE at template residue (1ym5A)E211 Warning: unaligning (T0301)H351 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1ym5A)G255 Warning: unaligning (T0301)P352 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1ym5A)G255 T0301 19 :SKGVFFRLEDLPES 1ym5A 21 :NPVAVINFLEIDEN T0301 34 :RVPGEARDRLFMRV 1ym5A 35 :EVSQEELQAIANWT T0301 67 :STSKCVILSKSSQPGHDVDYLY 1ym5A 49 :NLSETTFLFKPSDKKYDYKLRI T0301 92 :SIDKPFVDW 1ym5A 71 :FTPRSELPF T0301 104 :CGNLSTGAGAFALHAG 1ym5A 80 :AGHPTIGSCKAFLEFT T0301 125 :RIPEDGICEVRI 1ym5A 96 :KNTTATSLVQEC T0301 140 :NI 1ym5A 108 :KI T0301 143 :KTIIAH 1ym5A 110 :GAVPIT T0301 151 :VSGGQVQET 1ym5A 116 :INEGLISFK T0301 160 :GDFELDGVT 1ym5A 126 :PMADYESIS T0301 176 :LEFLDPS 1ym5A 147 :LKFIKPP T0301 199 :DDLE 1ym5A 154 :ALLH T0301 216 :AGIPTVFVN 1ym5A 158 :TGPEWIVAL T0301 227 :EI 1ym5A 169 :DA T0301 234 :ELREEINGDPQQ 1ym5A 171 :ETCFNANPNFAM T0301 249 :FER 1ym5A 183 :LAH T0301 268 :EAATRQH 1ym5A 186 :QTKQNDH T0301 276 :PKIAFVAPPRDY 1ym5A 193 :VGIILAGPKKEA T0301 297 :AGDID 1ym5A 205 :AIKNS T0301 304 :VRALSM 1ym5A 212 :MRAFAP T0301 310 :GKLHHAMMGTAAVAIGTAA 1ym5A 220 :NVYEDPVCGSGSVALARYL T0301 336 :NLAAGGGERSAVRFG 1ym5A 239 :QEVYKFEKTTDITIS T0301 353 :SGTLRVGAE 1ym5A 261 :NGLMLASIK T0301 363 :SQANGEWTVT 1ym5A 270 :KEADNSTSYY Number of specific fragments extracted= 24 number of extra gaps= 3 total=205 Number of alignments=11 # 1ym5A read from 1ym5A/merged-good-all-a2m # found chain 1ym5A in template set Warning: unaligning (T0301)A225 because of BadResidue code BAD_PEPTIDE in next template residue (1ym5A)E168 Warning: unaligning (T0301)E226 because of BadResidue code BAD_PEPTIDE at template residue (1ym5A)E168 Warning: unaligning (T0301)L302 because of BadResidue code BAD_PEPTIDE in next template residue (1ym5A)E211 Warning: unaligning (T0301)L303 because of BadResidue code BAD_PEPTIDE at template residue (1ym5A)E211 Warning: unaligning (T0301)H351 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1ym5A)G255 Warning: unaligning (T0301)P352 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1ym5A)G255 T0301 7 :IRIPATYLRGGTSK 1ym5A 3 :LMVPFKQVDVFTEK T0301 21 :GVFFRLEDLPES 1ym5A 23 :VAVINFLEIDEN T0301 34 :RVPGEARDRLFMRV 1ym5A 35 :EVSQEELQAIANWT T0301 67 :STSKCVILSKSSQPGHDVDYLY 1ym5A 49 :NLSETTFLFKPSDKKYDYKLRI T0301 92 :SIDKPFVDWS 1ym5A 71 :FTPRSELPFA T0301 105 :GNLSTGAGAFALHA 1ym5A 81 :GHPTIGSCKAFLEF T0301 124 :ARIPEDGICEVRI 1ym5A 95 :TKNTTATSLVQEC T0301 143 :KTII 1ym5A 110 :GAVP T0301 149 :VPVSGGQVQET 1ym5A 114 :ITINEGLISFK T0301 160 :GDFELD 1ym5A 126 :PMADYE T0301 166 :GVT 1ym5A 146 :GLK T0301 178 :FLDPS 1ym5A 149 :FIKPP T0301 199 :DDLE 1ym5A 154 :ALLH T0301 216 :AGIPTVFVN 1ym5A 158 :TGPEWIVAL T0301 227 :E 1ym5A 169 :D T0301 235 :LREEINGD 1ym5A 170 :AETCFNAN T0301 243 :P 1ym5A 180 :F T0301 247 :ARFER 1ym5A 181 :AMLAH T0301 268 :EAATRQHT 1ym5A 186 :QTKQNDHV T0301 277 :KIAFVAPPRDYRT 1ym5A 194 :GIILAGPKKEAAI T0301 299 :DID 1ym5A 207 :KNS T0301 304 :VRALSMGK 1ym5A 212 :MRAFAPVI T0301 314 :HAMMGTAAVAIGTAA 1ym5A 224 :DPVCGSGSVALARYL T0301 336 :NLAAGGGERSAVRFG 1ym5A 239 :QEVYKFEKTTDITIS T0301 353 :SGTLRVGAE 1ym5A 261 :NGLMLASIK T0301 363 :SQANGEWTVT 1ym5A 270 :KEADNSTSYY Number of specific fragments extracted= 26 number of extra gaps= 3 total=231 Number of alignments=12 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1xubA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0301 read from 1xubA/merged-good-all-a2m # 1xubA read from 1xubA/merged-good-all-a2m # found chain 1xubA in training set Warning: unaligning (T0301)R8 because first residue in template chain is (1xubA)M1 Warning: unaligning (T0301)K70 because of BadResidue code BAD_PEPTIDE in next template residue (1xubA)S46 Warning: unaligning (T0301)C71 because of BadResidue code BAD_PEPTIDE at template residue (1xubA)S46 Warning: unaligning (T0301)S92 because of BadResidue code NON_PLANAR_PEPTIDE in next template residue (1xubA)T64 Warning: unaligning (T0301)I93 because of BadResidue code NON_PLANAR_PEPTIDE at template residue (1xubA)T64 Warning: unaligning (T0301)A147 because of BadResidue code BAD_PEPTIDE in next template residue (1xubA)E104 Warning: unaligning (T0301)H148 because of BadResidue code BAD_PEPTIDE at template residue (1xubA)E104 Warning: unaligning (T0301)S353 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (1xubA)R244 Warning: unaligning (T0301)G354 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (1xubA)R244 T0301 9 :IPATYLRG 1xubA 2 :HNYVIIDA T0301 17 :GTSKGVFFRLEDLP 1xubA 17 :GNPVAVFFDADDLP T0301 37 :GEARDRLFMRV 1xubA 31 :PAQMQRIAREM T0301 67 :STS 1xubA 42 :NLS T0301 72 :VILSKSSQPGH 1xubA 47 :TFVLKPRNGGD T0301 87 :LYGQV 1xubA 58 :ALIRI T0301 94 :DKPFVDW 1xubA 65 :PVNELPF T0301 104 :CGNLSTGAGAFALHAG 1xubA 72 :AGAPLLGTAIALGAHT T0301 128 :EDGICEVRI 1xubA 88 :DNHRLYLET T0301 141 :IGKTII 1xubA 97 :QMGTIA T0301 149 :VPVSGGQVQE 1xubA 105 :LERQNGSVIA T0301 162 :FELDGVTFPAAEI 1xubA 115 :ASMDQPIPTWTAL T0301 185 :GE 1xubA 128 :GR T0301 201 :LEVPGV 1xubA 137 :LGISDS T0301 208 :TFKATMINAGIPTVFVNAEEI 1xubA 143 :TFPIEIYHNGPRHVFVGLPSI T0301 234 :ELREE 1xubA 164 :DALSA T0301 263 :IKTPEEAATRQHTPKIAFVAPP 1xubA 169 :LHPDHRALSNFHDMAINCFAGA T0301 291 :SG 1xubA 191 :GR T0301 301 :DLLVRALSM 1xubA 193 :RWRSRMFSP T0301 310 :GKLHHAMMGTAAVAIGTAAAIPGTL 1xubA 204 :GVVEDAATGSAAGPLAIHLARHGQI T0301 342 :GERSAVRFGHP 1xubA 229 :EFGQPVEILQG T0301 355 :TLRVGAEASQANGEWT 1xubA 245 :PSLMFAKAEGRAEQLT T0301 373 :K 1xubA 261 :R Number of specific fragments extracted= 23 number of extra gaps= 4 total=254 Number of alignments=13 # 1xubA read from 1xubA/merged-good-all-a2m # found chain 1xubA in training set Warning: unaligning (T0301)R8 because first residue in template chain is (1xubA)M1 Warning: unaligning (T0301)K70 because of BadResidue code BAD_PEPTIDE in next template residue (1xubA)S46 Warning: unaligning (T0301)C71 because of BadResidue code BAD_PEPTIDE at template residue (1xubA)S46 Warning: unaligning (T0301)S92 because of BadResidue code NON_PLANAR_PEPTIDE in next template residue (1xubA)T64 Warning: unaligning (T0301)I93 because of BadResidue code NON_PLANAR_PEPTIDE at template residue (1xubA)T64 Warning: unaligning (T0301)A147 because of BadResidue code BAD_PEPTIDE in next template residue (1xubA)E104 Warning: unaligning (T0301)H148 because of BadResidue code BAD_PEPTIDE at template residue (1xubA)E104 Warning: unaligning (T0301)S353 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (1xubA)R244 Warning: unaligning (T0301)G354 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (1xubA)R244 T0301 9 :IPATYLRG 1xubA 2 :HNYVIIDA T0301 17 :GTSKGVFFRLEDLP 1xubA 17 :GNPVAVFFDADDLP T0301 37 :GEARDRLFMRV 1xubA 31 :PAQMQRIAREM T0301 67 :STS 1xubA 42 :NLS T0301 72 :VILSKSSQPGHD 1xubA 47 :TFVLKPRNGGDA T0301 88 :YGQV 1xubA 59 :LIRI T0301 94 :DKPFVDW 1xubA 65 :PVNELPF T0301 104 :CGNLSTGAGAFALHAG 1xubA 72 :AGAPLLGTAIALGAHT T0301 128 :EDGICEVRI 1xubA 88 :DNHRLYLET T0301 141 :IGKTII 1xubA 97 :QMGTIA T0301 149 :VPVSGGQVQE 1xubA 105 :LERQNGSVIA T0301 162 :FELDGVTFPAAEI 1xubA 115 :ASMDQPIPTWTAL T0301 185 :GE 1xubA 128 :GR T0301 205 :GVG 1xubA 138 :GIS T0301 208 :TFKATMINAGIPTVFVNAEEI 1xubA 143 :TFPIEIYHNGPRHVFVGLPSI T0301 247 :ARFER 1xubA 164 :DALSA T0301 262 :LIKTPEEAATRQHT 1xubA 169 :LHPDHRALSNFHDM T0301 277 :KIAFVAP 1xubA 183 :AINCFAG T0301 290 :ASG 1xubA 190 :AGR T0301 301 :DLLVRALSM 1xubA 193 :RWRSRMFSP T0301 310 :GKLHHAMMGTAAVAIGTAAAIPGTL 1xubA 204 :GVVEDAATGSAAGPLAIHLARHGQI T0301 342 :GERSAVRFGHP 1xubA 229 :EFGQPVEILQG T0301 355 :TLRVGAEASQANGEWT 1xubA 245 :PSLMFAKAEGRAEQLT Number of specific fragments extracted= 23 number of extra gaps= 4 total=277 Number of alignments=14 # 1xubA read from 1xubA/merged-good-all-a2m # found chain 1xubA in training set Warning: unaligning (T0301)R8 because first residue in template chain is (1xubA)M1 Warning: unaligning (T0301)K70 because of BadResidue code BAD_PEPTIDE in next template residue (1xubA)S46 Warning: unaligning (T0301)C71 because of BadResidue code BAD_PEPTIDE at template residue (1xubA)S46 Warning: unaligning (T0301)S92 because of BadResidue code NON_PLANAR_PEPTIDE in next template residue (1xubA)T64 Warning: unaligning (T0301)I93 because of BadResidue code NON_PLANAR_PEPTIDE at template residue (1xubA)T64 Warning: unaligning (T0301)A147 because of BadResidue code BAD_PEPTIDE in next template residue (1xubA)E104 Warning: unaligning (T0301)H148 because of BadResidue code BAD_PEPTIDE at template residue (1xubA)E104 Warning: unaligning (T0301)S353 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (1xubA)R244 Warning: unaligning (T0301)G354 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (1xubA)R244 T0301 9 :IPATYLRG 1xubA 2 :HNYVIIDA T0301 17 :GTSKGVFFRLEDLP 1xubA 17 :GNPVAVFFDADDLP T0301 37 :GEARDRLFMRV 1xubA 31 :PAQMQRIAREM T0301 67 :STS 1xubA 42 :NLS T0301 72 :VILSKSSQPGHD 1xubA 47 :TFVLKPRNGGDA T0301 88 :YGQV 1xubA 59 :LIRI T0301 94 :DKPFVDWS 1xubA 65 :PVNELPFA T0301 105 :GNLSTGAGA 1xubA 73 :GAPLLGTAI T0301 115 :ALHAGL 1xubA 82 :ALGAHT T0301 128 :EDGICEVRI 1xubA 88 :DNHRLYLET T0301 141 :IGKTII 1xubA 97 :QMGTIA T0301 149 :VPVSGGQVQE 1xubA 105 :LERQNGSVIA T0301 162 :FELDGVTFPAAEI 1xubA 115 :ASMDQPIPTWTAL T0301 205 :GVGTFKATMINAGIPTVFVNAEEI 1xubA 140 :SDSTFPIEIYHNGPRHVFVGLPSI T0301 237 :E 1xubA 164 :D T0301 248 :RFER 1xubA 165 :ALSA T0301 262 :LIKTPEEAATRQHTPKIAFVA 1xubA 169 :LHPDHRALSNFHDMAINCFAG T0301 298 :GDIDLLVRALSM 1xubA 190 :AGRRWRSRMFSP T0301 310 :GKLHHAMMGTAAVAIGTAAAIPGTL 1xubA 204 :GVVEDAATGSAAGPLAIHLARHGQI T0301 342 :GERSAVRFGHP 1xubA 229 :EFGQPVEILQG T0301 355 :TLRVGAEASQANGEWTV 1xubA 245 :PSLMFAKAEGRAEQLTR Number of specific fragments extracted= 21 number of extra gaps= 4 total=298 Number of alignments=15 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1u1wA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1u1wA expands to /projects/compbio/data/pdb/1u1w.pdb.gz 1u1wA:Skipped atom 40, because occupancy 0.500 <= existing 0.500 in 1u1wA Skipped atom 42, because occupancy 0.500 <= existing 0.500 in 1u1wA Skipped atom 44, because occupancy 0.500 <= existing 0.500 in 1u1wA Skipped atom 46, because occupancy 0.500 <= existing 0.500 in 1u1wA Skipped atom 48, because occupancy 0.500 <= existing 0.500 in 1u1wA Skipped atom 50, because occupancy 0.500 <= existing 0.500 in 1u1wA Skipped atom 52, because occupancy 0.500 <= existing 0.500 in 1u1wA Skipped atom 99, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 101, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 103, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 105, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 107, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 109, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 315, because occupancy 0.500 <= existing 0.500 in 1u1wA Skipped atom 317, because occupancy 0.500 <= existing 0.500 in 1u1wA Skipped atom 319, because occupancy 0.500 <= existing 0.500 in 1u1wA Skipped atom 321, because occupancy 0.500 <= existing 0.500 in 1u1wA Skipped atom 323, because occupancy 0.500 <= existing 0.500 in 1u1wA Skipped atom 325, because occupancy 0.500 <= existing 0.500 in 1u1wA Skipped atom 327, because occupancy 0.500 <= existing 0.500 in 1u1wA Skipped atom 329, because occupancy 0.500 <= existing 0.500 in 1u1wA Skipped atom 331, because occupancy 0.500 <= existing 0.500 in 1u1wA Skipped atom 333, because occupancy 0.500 <= existing 0.500 in 1u1wA Skipped atom 335, because occupancy 0.500 <= existing 0.500 in 1u1wA Skipped atom 616, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 618, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 620, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 622, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 624, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 626, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 628, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 630, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 632, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 634, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 636, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 638, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 640, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 642, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 644, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 646, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 677, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 679, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 681, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 683, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 685, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 687, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 689, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 691, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 719, because occupancy 0.500 <= existing 0.500 in 1u1wA Skipped atom 721, because occupancy 0.500 <= existing 0.500 in 1u1wA Skipped atom 723, because occupancy 0.500 <= existing 0.500 in 1u1wA Skipped atom 725, because occupancy 0.500 <= existing 0.500 in 1u1wA Skipped atom 727, because occupancy 0.500 <= existing 0.500 in 1u1wA Skipped atom 729, because occupancy 0.500 <= existing 0.500 in 1u1wA Skipped atom 731, because occupancy 0.500 <= existing 0.500 in 1u1wA Skipped atom 733, because occupancy 0.500 <= existing 0.500 in 1u1wA Skipped atom 764, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 766, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 768, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 770, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 772, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 774, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 776, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 778, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 816, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 818, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 820, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 822, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 824, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 826, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 828, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 830, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 832, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 935, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 937, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 939, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 941, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 943, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 945, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 1046, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 1048, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 1050, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 1052, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 1054, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 1056, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 1058, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 1455, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 1457, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 1459, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 1461, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 1463, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 1465, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 1467, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 1469, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 1471, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 1473, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 1475, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 1477, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 1479, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 1481, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 1525, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 1527, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 1529, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 1531, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 1533, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 1535, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 1537, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 1539, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 1631, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 1633, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 1635, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 1637, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 1639, because occupancy 0.300 <= existing 0.700 in 1u1wA Skipped atom 1641, because occupancy 0.300 <= existing 0.700 in 1u1wA # T0301 read from 1u1wA/merged-good-all-a2m # 1u1wA read from 1u1wA/merged-good-all-a2m # adding 1u1wA to template set # found chain 1u1wA in template set Warning: unaligning (T0301)P4 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (1u1wA)V13 Warning: unaligning (T0301)G205 because of BadResidue code BAD_PEPTIDE in next template residue (1u1wA)S142 Warning: unaligning (T0301)V206 because of BadResidue code BAD_PEPTIDE at template residue (1u1wA)S142 T0301 5 :PQIRIPA 1u1wA 14 :PLEGNPV T0301 21 :GVFFRLEDLP 1u1wA 21 :AVFFDADDLP T0301 37 :GEARDRLFMRV 1u1wA 31 :PAQMQRIAREM T0301 67 :STSKCVILSKSSQPGH 1u1wA 42 :NLSESTFVLKPRNGGD T0301 87 :LYGQVSIDKPFVDW 1u1wA 58 :ALIRIFTPVNELPF T0301 104 :CGNLSTGAGAFALHA 1u1wA 72 :AGHPLLGTAIALGAH T0301 127 :PEDGICEVRI 1u1wA 87 :TDNHRLYLET T0301 141 :IGKTIIAHVPVSGGQVQE 1u1wA 97 :QMGTIAFELERQNGSVIA T0301 162 :FELDGVTFPAAEI 1u1wA 115 :ASMDQPIPTWTAL T0301 185 :GE 1u1wA 128 :GR T0301 201 :LEVP 1u1wA 137 :LGIS T0301 208 :TFKATMINAGIPTVFVNAEEI 1u1wA 143 :TFPIEIYHNGPRHVFVGLPSI T0301 234 :ELREEINGDPQQL 1u1wA 164 :DALSALHPDHRAL T0301 260 :MGL 1u1wA 177 :SNF T0301 274 :HTPKIAFVAPP 1u1wA 180 :HDMAINCFAGA T0301 291 :SG 1u1wA 191 :GR T0301 301 :DLLVRALSMGKL 1u1wA 193 :RWRSRMFSPAYG T0301 315 :AMMGTAAVAIGTAAAIPGTL 1u1wA 209 :AATGSAAGPLAIHLARHGQI T0301 340 :GGGERSAVRFGHPSG 1u1wA 229 :EFGQPVEILQGVEIG T0301 355 :TLRVGAEASQANGEWT 1u1wA 245 :PSLMFAKAEGRAEQLT T0301 373 :K 1u1wA 261 :R Number of specific fragments extracted= 21 number of extra gaps= 2 total=319 Number of alignments=16 # 1u1wA read from 1u1wA/merged-good-all-a2m # found chain 1u1wA in template set T0301 7 :I 1u1wA 16 :E T0301 17 :GTSKGVFFRLEDLP 1u1wA 17 :GNPVAVFFDADDLP T0301 37 :GEARDRLFMRV 1u1wA 31 :PAQMQRIAREM T0301 67 :STSKCVILSKSSQPGH 1u1wA 42 :NLSESTFVLKPRNGGD T0301 87 :LYGQVSIDKPFVDW 1u1wA 58 :ALIRIFTPVNELPF T0301 104 :CGNLSTGAGAFALHA 1u1wA 72 :AGHPLLGTAIALGAH T0301 127 :PEDGICEVRI 1u1wA 87 :TDNHRLYLET T0301 141 :IGKTIIAHVPVSGGQVQE 1u1wA 97 :QMGTIAFELERQNGSVIA T0301 162 :FELDGVTFPAAEI 1u1wA 115 :ASMDQPIPTWTAL T0301 204 :P 1u1wA 128 :G T0301 205 :GVG 1u1wA 138 :GIS T0301 208 :TFKATMINAGIPTVFVNAEE 1u1wA 143 :TFPIEIYHNGPRHVFVGLPS T0301 236 :R 1u1wA 163 :I T0301 247 :ARFER 1u1wA 164 :DALSA T0301 262 :LIKTPEEAATRQHTPKIAF 1u1wA 169 :LHPDHRALSNFHDMAINCF T0301 282 :AP 1u1wA 188 :AG T0301 290 :ASG 1u1wA 190 :AGR T0301 301 :DLLVRALSMGKL 1u1wA 193 :RWRSRMFSPAYG T0301 313 :HHAMMGTAAVAIGTAAAIPGTL 1u1wA 207 :EDAATGSAAGPLAIHLARHGQI T0301 342 :GERSAVRFGHP 1u1wA 229 :EFGQPVEILQG T0301 353 :SG 1u1wA 242 :IG T0301 355 :TLRVGAEASQANGEWT 1u1wA 245 :PSLMFAKAEGRAEQLT Number of specific fragments extracted= 22 number of extra gaps= 0 total=341 Number of alignments=17 # 1u1wA read from 1u1wA/merged-good-all-a2m # found chain 1u1wA in template set Warning: unaligning (T0301)R8 because first residue in template chain is (1u1wA)M1 Warning: unaligning (T0301)S19 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (1u1wA)V13 Warning: unaligning (T0301)K20 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (1u1wA)V13 Warning: unaligning (T0301)V206 because of BadResidue code BAD_PEPTIDE in next template residue (1u1wA)S142 Warning: unaligning (T0301)G207 because of BadResidue code BAD_PEPTIDE at template residue (1u1wA)S142 T0301 9 :IPATYLRGGT 1u1wA 2 :HNYVIIDAFA T0301 21 :GVFFRLEDLP 1u1wA 21 :AVFFDADDLP T0301 37 :GEARDRLFMRV 1u1wA 31 :PAQMQRIAREM T0301 67 :STSKCVILSKSSQPGHD 1u1wA 42 :NLSESTFVLKPRNGGDA T0301 88 :YGQVSIDKPFVDWS 1u1wA 59 :LIRIFTPVNELPFA T0301 105 :GNLSTGAGAFALHA 1u1wA 73 :GHPLLGTAIALGAH T0301 127 :PEDGICEVRI 1u1wA 87 :TDNHRLYLET T0301 141 :IGKTIIAHVPVSGGQVQE 1u1wA 97 :QMGTIAFELERQNGSVIA T0301 162 :FELDGVTFPAAEI 1u1wA 115 :ASMDQPIPTWTAL T0301 204 :P 1u1wA 128 :G T0301 205 :G 1u1wA 140 :S T0301 208 :TFKATMINAGIPTVFVNAEE 1u1wA 143 :TFPIEIYHNGPRHVFVGLPS T0301 236 :REE 1u1wA 163 :IDA T0301 249 :FER 1u1wA 166 :LSA T0301 262 :LIKTPEEAATRQHTPKIAFVA 1u1wA 169 :LHPDHRALSNFHDMAINCFAG T0301 298 :GDIDLLVRALSMGKL 1u1wA 190 :AGRRWRSRMFSPAYG T0301 315 :AMMGTAAVAIGTAAAIPGTL 1u1wA 209 :AATGSAAGPLAIHLARHGQI T0301 342 :GERSAVRFGHP 1u1wA 229 :EFGQPVEILQG T0301 353 :SGTLRVGAEASQANGEWTV 1u1wA 243 :GRPSLMFAKAEGRAEQLTR Number of specific fragments extracted= 19 number of extra gaps= 2 total=360 Number of alignments=18 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1u0kA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0301 read from 1u0kA/merged-good-all-a2m # 1u0kA read from 1u0kA/merged-good-all-a2m # found chain 1u0kA in training set Warning: unaligning (T0301)S92 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1u0kA)T65 Warning: unaligning (T0301)I93 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1u0kA)T65 T0301 4 :PPQIRIPATYLRG 1u0kA 14 :RPLTGNGLAVFDD T0301 26 :LE 1u0kA 27 :AS T0301 34 :RVPGEARDRLFMRV 1u0kA 29 :ALDDAAMQAWTREL T0301 67 :STSKCVILSKSSQPGH 1u0kA 43 :RQFESIFLLPGDDPRA T0301 87 :LYGQV 1u0kA 59 :FRARI T0301 94 :DKPFVDWSGN 1u0kA 66 :LEEELPFAGH T0301 106 :NLSTGAGAFALHAGL 1u0kA 76 :PLLGAAALLHHLRGG T0301 123 :PARI 1u0kA 91 :DNEQ T0301 128 :EDGICEVRIWQANIGKTIIAHV 1u0kA 101 :ASKSVALRSVRAGSGFYAEMDQ T0301 160 :GD 1u0kA 123 :GR T0301 176 :LEFLDPSDDG 1u0kA 125 :AEFGATPDAG T0301 200 :DLEVPGVGTFKATMINAGIPTVFVNAE 1u0kA 144 :SLSANDLSGHPPRVVSTGLPYLLLPVT T0301 236 :REEING 1u0kA 171 :AEALGR T0301 243 :PQQLARF 1u0kA 184 :QEALDKL T0301 261 :G 1u0kA 191 :G T0301 275 :TPKIAFVA 1u0kA 192 :AAFVYLLD T0301 290 :ASG 1u0kA 200 :VDG T0301 302 :LLVRALSMGKLHHAMMGTAAVAIGTAAAI 1u0kA 203 :REGRTWDNLGLVEDVATGSAAGPVAAYLV T0301 331 :PGT 1u0kA 233 :YGL T0301 339 :AGGGER 1u0kA 236 :AARGEP T0301 347 :VRFGH 1u0kA 256 :LDVQV T0301 352 :PSGTLRVGAEASQ 1u0kA 262 :TDGSVRVGGHVQL Number of specific fragments extracted= 22 number of extra gaps= 1 total=382 Number of alignments=19 # 1u0kA read from 1u0kA/merged-good-all-a2m # found chain 1u0kA in training set Warning: unaligning (T0301)S92 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1u0kA)T65 Warning: unaligning (T0301)I93 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1u0kA)T65 T0301 7 :IRIPATYLR 1u0kA 17 :TGNGLAVFD T0301 25 :RLE 1u0kA 26 :DAS T0301 34 :RVPGEARDRLFMRV 1u0kA 29 :ALDDAAMQAWTREL T0301 67 :STSKCVILSKSSQPGH 1u0kA 43 :RQFESIFLLPGDDPRA T0301 87 :LYGQV 1u0kA 59 :FRARI T0301 94 :DKPFVDWSG 1u0kA 66 :LEEELPFAG T0301 105 :GNLSTGAGAFALHAG 1u0kA 75 :HPLLGAAALLHHLRG T0301 122 :D 1u0kA 90 :G T0301 127 :PEDGIC 1u0kA 91 :DNEQHW T0301 133 :EVRIWQANIGKTIIAHVPV 1u0kA 104 :SVALRSVRAGSGFYAEMDQ T0301 160 :G 1u0kA 123 :G T0301 175 :VLEFLDPSDDG 1u0kA 124 :RAEFGATPDAG T0301 200 :DLEVPGVGTFKATMINAGIPTVFVNAE 1u0kA 144 :SLSANDLSGHPPRVVSTGLPYLLLPVT T0301 236 :REEINGD 1u0kA 171 :AEALGRA T0301 261 :GLIKTPEEAATRQHTPKIAFVA 1u0kA 178 :RQVNDLQEALDKLGAAFVYLLD T0301 290 :ASG 1u0kA 200 :VDG T0301 302 :LLVRALSMGKLHHAMMGTAAVAIGTAAAIPG 1u0kA 203 :REGRTWDNLGLVEDVATGSAAGPVAAYLVEY T0301 333 :TLVNLAAGGGERSAVRFGH 1u0kA 242 :FVLHQGRFLERPSRLDVQV T0301 352 :PSGTLRVGAEASQ 1u0kA 262 :TDGSVRVGGHVQL Number of specific fragments extracted= 19 number of extra gaps= 1 total=401 Number of alignments=20 # 1u0kA read from 1u0kA/merged-good-all-a2m # found chain 1u0kA in training set Warning: unaligning (T0301)S92 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1u0kA)T65 Warning: unaligning (T0301)I93 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1u0kA)T65 T0301 7 :IRIPATYLR 1u0kA 17 :TGNGLAVFD T0301 31 :ESCRVPGEARDRLFMRV 1u0kA 26 :DASALDDAAMQAWTREL T0301 56 :A 1u0kA 43 :R T0301 68 :TSKCVILSKSSQPGH 1u0kA 44 :QFESIFLLPGDDPRA T0301 87 :LYGQV 1u0kA 59 :FRARI T0301 94 :DKPFVDWSGN 1u0kA 66 :LEEELPFAGH T0301 106 :NLSTGAGAFALHAGL 1u0kA 76 :PLLGAAALLHHLRGG T0301 127 :PEDGICE 1u0kA 91 :DNEQHWT T0301 134 :VRIWQANIGKTIIAHVPV 1u0kA 105 :VALRSVRAGSGFYAEMDQ T0301 160 :GDFE 1u0kA 123 :GRAE T0301 178 :FLDPSDDG 1u0kA 127 :FGATPDAG T0301 186 :EDGGAI 1u0kA 145 :LSANDL T0301 194 :TGNLVDDLE 1u0kA 151 :SGHPPRVVS T0301 216 :AGIPTVFVNAE 1u0kA 160 :TGLPYLLLPVT T0301 236 :REEINGD 1u0kA 171 :AEALGRA T0301 261 :GLIKTPEEAATRQHTPKIAFVAP 1u0kA 178 :RQVNDLQEALDKLGAAFVYLLDV T0301 298 :GD 1u0kA 201 :DG T0301 302 :LLVRALSMGKLHHAMM 1u0kA 203 :REGRTWDNLGLVEDVA T0301 318 :GTAAVAIGTAAAIPG 1u0kA 220 :GSAAGPVAAYLVEYG T0301 333 :TLVNLAAGGGERSAVRFGH 1u0kA 242 :FVLHQGRFLERPSRLDVQV T0301 352 :PSGTLRVGAEASQ 1u0kA 262 :TDGSVRVGGHVQL Number of specific fragments extracted= 21 number of extra gaps= 1 total=422 Number of alignments=21 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1sr8A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1sr8A expands to /projects/compbio/data/pdb/1sr8.pdb.gz 1sr8A:# T0301 read from 1sr8A/merged-good-all-a2m # 1sr8A read from 1sr8A/merged-good-all-a2m # adding 1sr8A to template set # found chain 1sr8A in template set T0301 29 :LPESCRVPGEARDRL 1sr8A 11 :YPEKWIKDRDAEKKV T0301 55 :A 1sr8A 28 :G T0301 89 :GQVSIDKPFVDWSGNCGNLSTGAGAFALHAG 1sr8A 29 :LYILTEDGYLRRGITTGTTASAAAVAAIASL T0301 128 :EDGICEVRI 1sr8A 60 :KEKVEKVKV T0301 139 :ANIGKTIIAHVPVSGGQVQET 1sr8A 70 :TPAGVDVEVEVEAEKGFARVR T0301 178 :FLDPS 1sr8A 91 :KFSGD T0301 189 :GAIFPTGNLVDDLEVPGVGTFKA 1sr8A 96 :HEFDVTNGIIFEAEVCETSGIFF T0301 215 :NAG 1sr8A 121 :GVG T0301 230 :YRGTEL 1sr8A 125 :KAGEKA T0301 242 :DPQQLARFERIRVAGALRMGL 1sr8A 132 :SRSAKLQILENFIKASREFNF T0301 291 :SG 1sr8A 153 :SG T0301 301 :DLLVR 1sr8A 155 :GVRIS T0301 308 :SMG 1sr8A 160 :VPD T0301 315 :AMM 1sr8A 163 :GEE T0301 326 :TAAAIP 1sr8A 166 :VAKKTG T0301 338 :AAGGGERSAVRFGHPSGTL 1sr8A 172 :NEKVGIKGGISILGTTGFV T0301 372 :TKAIMSRSARILM 1sr8A 193 :WCKKLVETKLKIA Number of specific fragments extracted= 17 number of extra gaps= 0 total=439 Number of alignments=22 # 1sr8A read from 1sr8A/merged-good-all-a2m # found chain 1sr8A in template set T0301 29 :LPESCRVPGEARDRL 1sr8A 11 :YPEKWIKDRDAEKKV T0301 54 :YA 1sr8A 27 :SG T0301 89 :GQVSIDKPFVDWSGNCGNLSTGAGAFALHA 1sr8A 29 :LYILTEDGYLRRGITTGTTASAAAVAAIAS T0301 123 :PA 1sr8A 59 :LK T0301 129 :DGICEVRI 1sr8A 61 :EKVEKVKV T0301 139 :ANIGKTIIAHVPVSGGQV 1sr8A 70 :TPAGVDVEVEVEAEKGFA T0301 175 :VLEFLD 1sr8A 88 :RVRKFS T0301 185 :GE 1sr8A 94 :GD T0301 189 :GAIFPTGNLVDDLEVPGVGTFKA 1sr8A 96 :HEFDVTNGIIFEAEVCETSGIFF T0301 215 :N 1sr8A 121 :G T0301 228 :IG 1sr8A 122 :VG T0301 230 :YRGTEL 1sr8A 125 :KAGEKA T0301 242 :DPQQLARFERIRVAGALRMGLIK 1sr8A 132 :SRSAKLQILENFIKASREFNFSG T0301 303 :LVRALSMG 1sr8A 155 :GVRISVPD T0301 326 :TAAAIP 1sr8A 166 :VAKKTG T0301 338 :AAGGGERSAVRFGHPSGTL 1sr8A 172 :NEKVGIKGGISILGTTGFV T0301 372 :TKAIMSRSARILM 1sr8A 193 :WCKKLVETKLKIA Number of specific fragments extracted= 17 number of extra gaps= 0 total=456 Number of alignments=23 # 1sr8A read from 1sr8A/merged-good-all-a2m # found chain 1sr8A in template set T0301 29 :LPESCRVPGEARDRLF 1sr8A 11 :YPEKWIKDRDAEKKVR T0301 54 :YA 1sr8A 27 :SG T0301 89 :GQVSIDKPFVDWSGNCGNLSTGAGAFALHAG 1sr8A 29 :LYILTEDGYLRRGITTGTTASAAAVAAIASL T0301 128 :EDGICEVRI 1sr8A 60 :KEKVEKVKV T0301 139 :ANIGKTIIAHVPVSGGQVQET 1sr8A 70 :TPAGVDVEVEVEAEKGFARVR T0301 178 :F 1sr8A 91 :K T0301 185 :GEDGGAIFPTGNLVDDLEVPGVGTFKA 1sr8A 92 :FSGDHEFDVTNGIIFEAEVCETSGIFF T0301 215 :NAG 1sr8A 121 :GVG T0301 230 :YRGTEL 1sr8A 125 :KAGEKA T0301 242 :DPQQLARFERIRVAGALRMGLIK 1sr8A 132 :SRSAKLQILENFIKASREFNFSG T0301 303 :LVRALSMG 1sr8A 155 :GVRISVPD T0301 335 :VNLAA 1sr8A 163 :GEEVA T0301 340 :GGGERSAVRFGHPSGTL 1sr8A 174 :KVGIKGGISILGTTGFV T0301 372 :TKAIMSRSARIL 1sr8A 193 :WCKKLVETKLKI Number of specific fragments extracted= 14 number of extra gaps= 0 total=470 Number of alignments=24 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1mr1A/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/T0301/1mr1A/merged-good-all-a2m or /projects/compbio/experiments/protein-predict/casp7/T0301/1mr1A/merged-good-all-a2m.gz for input Trying 1mr1A/merged-good-all-a2m Error: Couldn't open file 1mr1A/merged-good-all-a2m or 1mr1A/merged-good-all-a2m.gz for input # Reading fragments from alignment file # Attempting to read fragment alignments from file 1tm0A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1tm0A expands to /projects/compbio/data/pdb/1tm0.pdb.gz 1tm0A:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # T0301 read from 1tm0A/merged-good-all-a2m # 1tm0A read from 1tm0A/merged-good-all-a2m # adding 1tm0A to template set # found chain 1tm0A in template set Warning: unaligning (T0301)H3 because first residue in template chain is (1tm0A)M1 Warning: unaligning (T0301)G229 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1tm0A)E187 Warning: unaligning (T0301)T233 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1tm0A)E187 Warning: unaligning (T0301)L262 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1tm0A)F211 Warning: unaligning (T0301)M316 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1tm0A)P254 Warning: unaligning (T0301)P352 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1tm0A)T286 Warning: unaligning (T0301)T355 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1tm0A)T286 T0301 4 :PPQIRIPATYLRGGTSKGVFFR 1tm0A 2 :RSTKVIHIVGCHAEGEVGDVIV T0301 27 :EDL 1tm0A 24 :GGV T0301 33 :CRVPGEARDRLFMRVI 1tm0A 27 :APPPGETVWEQSRFIA T0301 51 :PDPY 1tm0A 53 :NKPR T0301 65 :TSSTSKCVILSKSSQPGHDVDYLYGQ 1tm0A 57 :GGVFRHVNLLVPPKDPRAQMGFIIME T0301 97 :FVDWSGNCGNLSTGAGAFALHAGLVDP 1tm0A 83 :PADTPPMSGSNSICVSTVLLDSGIIAM T0301 128 :EDGICEVRIW 1tm0A 110 :QEPVTHMVLE T0301 140 :NIGKTIIAHVPVSGGQVQE 1tm0A 120 :APGGIIEVEAECRNGKAER T0301 174 :IVLEFLDPS 1tm0A 139 :ISVRNVPSF T0301 194 :TGNLVDDLEVPGVGTFKATMINAGIPTVFVNAEEI 1tm0A 148 :ADRLDAPLDVTGLGTIMVDTAYGGDSFVIVDAAQI T0301 242 :DPQQLARFERIRVA 1tm0A 188 :PGQARELAEIGVKI T0301 263 :I 1tm0A 212 :R T0301 267 :EEAATRQHTPKIAFVAPPRD 1tm0A 213 :HPERDWRHISFCQITEPVTR T0301 291 :SG 1tm0A 233 :EG T0301 301 :DLLVR 1tm0A 235 :DVLTG T0301 317 :MGTAAVAIGTAAAIPGT 1tm0A 255 :TGTGCSARMAVLHAKGQ T0301 341 :GGERSAVRFGH 1tm0A 272 :MKAGERFIGKS T0301 356 :LRVGA 1tm0A 288 :FHCRL T0301 361 :EASQANGEWTVT 1tm0A 294 :KVLELGGKPAIS Number of specific fragments extracted= 19 number of extra gaps= 0 total=489 Number of alignments=25 # 1tm0A read from 1tm0A/merged-good-all-a2m # found chain 1tm0A in template set Warning: unaligning (T0301)H3 because first residue in template chain is (1tm0A)M1 Warning: unaligning (T0301)G229 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1tm0A)E187 Warning: unaligning (T0301)T233 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1tm0A)E187 Warning: unaligning (T0301)L262 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1tm0A)F211 Warning: unaligning (T0301)M316 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1tm0A)P254 Warning: unaligning (T0301)P352 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1tm0A)T286 Warning: unaligning (T0301)T355 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1tm0A)T286 T0301 4 :PPQIRIPATYLRGGTSKGVFFRLEDL 1tm0A 2 :RSTKVIHIVGCHAEGEVGDVIVGGVA T0301 34 :RVPGEARDRLFMRVI 1tm0A 28 :PPPGETVWEQSRFIA T0301 51 :PDPY 1tm0A 53 :NKPR T0301 65 :TSSTSKCVILSKSSQPGHDVDYLYGQ 1tm0A 57 :GGVFRHVNLLVPPKDPRAQMGFIIME T0301 97 :FVDWSGNCGNLSTGAGAFALHAGLVDPA 1tm0A 83 :PADTPPMSGSNSICVSTVLLDSGIIAMQ T0301 129 :DGICEVRIW 1tm0A 111 :EPVTHMVLE T0301 140 :NIGKTIIAHVPVSGGQVQE 1tm0A 120 :APGGIIEVEAECRNGKAER T0301 174 :IVLEFLDPS 1tm0A 139 :ISVRNVPSF T0301 194 :TGNLVDDLEVPGVGTFKATMINAGIPTVFVNAEEI 1tm0A 148 :ADRLDAPLDVTGLGTIMVDTAYGGDSFVIVDAAQI T0301 242 :DPQQLARFER 1tm0A 188 :PGQARELAEI T0301 252 :IRVA 1tm0A 199 :VKIT T0301 265 :TPEEA 1tm0A 212 :RHPER T0301 271 :TRQHTPKIAFVAPPRD 1tm0A 217 :DWRHISFCQITEPVTR T0301 291 :SGK 1tm0A 233 :EGD T0301 302 :LLVR 1tm0A 236 :VLTG T0301 317 :MGTAAVAIGTAAAIPGT 1tm0A 255 :TGTGCSARMAVLHAKGQ T0301 341 :GGERSAVRFGH 1tm0A 272 :MKAGERFIGKS T0301 356 :LRVGA 1tm0A 288 :FHCRL T0301 361 :EASQANGEWTVT 1tm0A 294 :KVLELGGKPAIS Number of specific fragments extracted= 19 number of extra gaps= 0 total=508 Number of alignments=26 # 1tm0A read from 1tm0A/merged-good-all-a2m # found chain 1tm0A in template set Warning: unaligning (T0301)H3 because first residue in template chain is (1tm0A)M1 Warning: unaligning (T0301)G229 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1tm0A)E187 Warning: unaligning (T0301)T233 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1tm0A)E187 Warning: unaligning (T0301)L262 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1tm0A)F211 Warning: unaligning (T0301)M316 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1tm0A)P254 Warning: unaligning (T0301)P352 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1tm0A)T286 Warning: unaligning (T0301)T355 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1tm0A)T286 T0301 4 :PPQIRIPATYLRGGTSKGVFFRLEDLPESCRVPGEARDRL 1tm0A 2 :RSTKVIHIVGCHAEGEVGDVIVGGVAPPPGETVWEQSRFI T0301 44 :FMRVIGSPDP 1tm0A 48 :RNFVLNKPRG T0301 66 :SSTSKCVILSKSSQPGHDVDYLYGQ 1tm0A 58 :GVFRHVNLLVPPKDPRAQMGFIIME T0301 97 :FVDWSGNCGNLSTGAGAFALHAGLVDP 1tm0A 83 :PADTPPMSGSNSICVSTVLLDSGIIAM T0301 128 :EDGICEVRIW 1tm0A 110 :QEPVTHMVLE T0301 140 :NIGKTIIAHVPVSGGQVQ 1tm0A 120 :APGGIIEVEAECRNGKAE T0301 173 :EIVLEFLDPS 1tm0A 138 :RISVRNVPSF T0301 194 :TGNLVDDLEVPGVGTFKATMINAGIPTVFVNAEEI 1tm0A 148 :ADRLDAPLDVTGLGTIMVDTAYGGDSFVIVDAAQI T0301 234 :E 1tm0A 188 :P T0301 243 :PQQLARFERIRVA 1tm0A 189 :GQARELAEIGVKI T0301 263 :I 1tm0A 212 :R T0301 272 :RQHTPKIAFVAPPRDYRT 1tm0A 218 :WRHISFCQITEPVTREGD T0301 301 :DLLV 1tm0A 236 :VLTG T0301 317 :MGTAAVAIGTAAAIPG 1tm0A 255 :TGTGCSARMAVLHAKG T0301 340 :GGGERSAVRFGH 1tm0A 271 :QMKAGERFIGKS T0301 356 :LRVGA 1tm0A 288 :FHCRL T0301 361 :EASQANGEWTVT 1tm0A 294 :KVLELGGKPAIS Number of specific fragments extracted= 17 number of extra gaps= 0 total=525 Number of alignments=27 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1gqzA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0301 read from 1gqzA/merged-good-all-a2m # 1gqzA read from 1gqzA/merged-good-all-a2m # found chain 1gqzA in training set T0301 10 :PATYLRGGTSKGVFFR 1gqzA 2 :QFSKMHGLGNDFVVVD T0301 28 :DLPESCRVPGEARDRLF 1gqzA 18 :GVTQNVFFTPETIRRLA T0301 51 :PDPYAAHI 1gqzA 35 :NRHCGIGF T0301 69 :SKCVILSKSSQPGHDVDYLYGQ 1gqzA 43 :DQLLIVEAPYDPELDFHYRIFN T0301 93 :IDKPFVD 1gqzA 65 :ADGSEVS T0301 103 :NCGNLSTGAGAFALHAGLVDPA 1gqzA 72 :QCGNGARCFARFVTLKGLTNKK T0301 131 :ICEVR 1gqzA 94 :DISVS T0301 140 :NIGKTIIAH 1gqzA 99 :TQKGNMVLT T0301 168 :TFPAAEIVLEFLDPSDDGEDGGAIFPTGNLVDDLEV 1gqzA 108 :VKDDNQIRVNMGEPIWEPAKIPFTANKFEKNYILRT T0301 205 :GVGTFKATMINAGIPTVFVNAEEIGYRG 1gqzA 144 :DIQTVLCGAVSMGNPHCVVQVDDIQTAN T0301 243 :PQQLARFE 1gqzA 173 :EQLGPLLE T0301 261 :GL 1gqzA 181 :SH T0301 268 :EAA 1gqzA 183 :ERF T0301 273 :QHTPKIAFV 1gqzA 186 :PERVNAGFM T0301 293 :KLVAAG 1gqzA 195 :QIINKE T0301 301 :DLLVRALSMGK 1gqzA 201 :HIKLRVYERGA T0301 312 :LHHAMMGTAAVAIGTAAAI 1gqzA 213 :ETQACGSGACAAVAVGIMQ T0301 341 :GGERSAVRFGHPSGTLRV 1gqzA 232 :GLLNNNVQVDLPGGSLMI T0301 361 :EASQANGEWTVT 1gqzA 250 :EWNGVGHPLYMT Number of specific fragments extracted= 19 number of extra gaps= 0 total=544 Number of alignments=28 # 1gqzA read from 1gqzA/merged-good-all-a2m # found chain 1gqzA in training set T0301 10 :PATYLRGGTSKGVFFR 1gqzA 2 :QFSKMHGLGNDFVVVD T0301 28 :DLPESCRVPGEARDRLF 1gqzA 18 :GVTQNVFFTPETIRRLA T0301 51 :PDPYAAHI 1gqzA 35 :NRHCGIGF T0301 69 :SKCVILSKSSQPGHDVDYLYGQ 1gqzA 43 :DQLLIVEAPYDPELDFHYRIFN T0301 93 :IDKPFV 1gqzA 65 :ADGSEV T0301 102 :GNCGNLSTGAGAFALHAGLVDPA 1gqzA 71 :SQCGNGARCFARFVTLKGLTNKK T0301 131 :ICEVR 1gqzA 94 :DISVS T0301 151 :VSGGQVQET 1gqzA 99 :TQKGNMVLT T0301 168 :TFPAAEIVLEFLDPSDDGEDGGAIFPTGNLVDDLEV 1gqzA 108 :VKDDNQIRVNMGEPIWEPAKIPFTANKFEKNYILRT T0301 205 :GVGTFKATMINAGIPTVFVNAEEIGYRG 1gqzA 144 :DIQTVLCGAVSMGNPHCVVQVDDIQTAN T0301 243 :PQQLARFE 1gqzA 173 :EQLGPLLE T0301 261 :GL 1gqzA 184 :RF T0301 273 :QHTPKIAFVA 1gqzA 186 :PERVNAGFMQ T0301 294 :LVAAG 1gqzA 196 :IINKE T0301 301 :DLLVRALSMGK 1gqzA 201 :HIKLRVYERGA T0301 312 :LHHAMMGTAAVAIGTAAAI 1gqzA 213 :ETQACGSGACAAVAVGIMQ T0301 341 :GGERSAVRFGHPSGTLRV 1gqzA 232 :GLLNNNVQVDLPGGSLMI T0301 361 :EASQANGEWTVT 1gqzA 250 :EWNGVGHPLYMT Number of specific fragments extracted= 18 number of extra gaps= 0 total=562 Number of alignments=29 # 1gqzA read from 1gqzA/merged-good-all-a2m # found chain 1gqzA in training set T0301 10 :PATYLRGG 1gqzA 2 :QFSKMHGL T0301 20 :KGVFFRLEDLPESCRVPGEARDRLF 1gqzA 10 :GNDFVVVDGVTQNVFFTPETIRRLA T0301 51 :PDPYAAHI 1gqzA 35 :NRHCGIGF T0301 69 :SKCVILSKSSQPGHDVDYLYGQ 1gqzA 43 :DQLLIVEAPYDPELDFHYRIFN T0301 93 :IDKPFV 1gqzA 65 :ADGSEV T0301 102 :GNCGNLSTGAGAFALHAGLVDP 1gqzA 71 :SQCGNGARCFARFVTLKGLTNK T0301 130 :GICEVR 1gqzA 93 :KDISVS T0301 140 :NIGKTIIAHV 1gqzA 99 :TQKGNMVLTV T0301 169 :FPAAEIVLEFLDPSDDGEDGG 1gqzA 109 :KDDNQIRVNMGEPIWEPAKIP T0301 192 :FPTGNLVDDLEVP 1gqzA 130 :FTANKFEKNYILR T0301 205 :GVGTFKATMINAGIPTVFVNAEEIGYRG 1gqzA 144 :DIQTVLCGAVSMGNPHCVVQVDDIQTAN T0301 243 :PQQLARFE 1gqzA 173 :EQLGPLLE T0301 272 :RQHTPKIAFVA 1gqzA 185 :FPERVNAGFMQ T0301 294 :LVAAG 1gqzA 196 :IINKE T0301 301 :DLLVRALSMGK 1gqzA 201 :HIKLRVYERGA T0301 312 :LHHAMMGTAAVAIGTAAAIP 1gqzA 213 :ETQACGSGACAAVAVGIMQG T0301 342 :GERSAVRFGHPSGTLRV 1gqzA 233 :LLNNNVQVDLPGGSLMI T0301 361 :EASQANGEWTVT 1gqzA 250 :EWNGVGHPLYMT Number of specific fragments extracted= 18 number of extra gaps= 0 total=580 Number of alignments=30 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1w61A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1w61A expands to /projects/compbio/data/pdb/1w61.pdb.gz 1w61A:# T0301 read from 1w61A/merged-good-all-a2m # 1w61A read from 1w61A/merged-good-all-a2m # adding 1w61A to template set # found chain 1w61A in template set Warning: unaligning (T0301)P5 because first residue in template chain is (1w61A)F42 Warning: unaligning (T0301)A11 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1w61A)I49 Warning: unaligning (T0301)T12 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1w61A)I49 Warning: unaligning (T0301)L14 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1w61A)H52 Warning: unaligning (T0301)R15 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1w61A)H52 Warning: unaligning (T0301)S182 because of BadResidue code NON_PLANAR_PEPTIDE in next template residue (1w61A)L193 Warning: unaligning (T0301)I191 because of BadResidue code NON_PLANAR_PEPTIDE at template residue (1w61A)L193 Warning: unaligning (T0301)G217 because of BadResidue code BAD_PEPTIDE in next template residue (1w61A)N218 Warning: unaligning (T0301)I218 because of BadResidue code BAD_PEPTIDE at template residue (1w61A)N218 Warning: unaligning (T0301)T220 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1w61A)A221 Warning: unaligning (T0301)V221 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1w61A)A221 Warning: unaligning (T0301)L258 because of BadResidue code BAD_PEPTIDE in next template residue (1w61A)S254 Warning: unaligning (T0301)R259 because of BadResidue code BAD_PEPTIDE at template residue (1w61A)S254 T0301 6 :QIRIP 1w61A 43 :KKSFT T0301 13 :Y 1w61A 50 :D T0301 16 :GGTSKGV 1w61A 53 :TEGEAAR T0301 24 :FRLEDLPE 1w61A 60 :IVTSGLPH T0301 33 :CRVPG 1w61A 68 :IPGSN T0301 38 :EARDRLFMRVIGSPDPYAA 1w61A 82 :ENMDYLRRGIMLEPRGHDD T0301 69 :SKCVILSKSSQPGHDVDYLYGQV 1w61A 101 :MFGAFLFDPIEEGADLGIVFMDT T0301 98 :VDWSGNCGNLSTGAGAFALHAGLVDPA 1w61A 124 :GGYLNMCGHNSIAAVTAAVETGIVSVP T0301 127 :PEDGICEVRIWQ 1w61A 151 :AKATNVPVVLDT T0301 141 :IGKTIIAHVPVSGGQV 1w61A 163 :PAGLVRGTAHLQSGTE T0301 169 :FPAAEIVLEFLDP 1w61A 179 :SEVSNASIINVPS T0301 192 :F 1w61A 194 :Y T0301 196 :NLVDDLEV 1w61A 195 :QQDVVVVL T0301 204 :PGVGTFKATMINA 1w61A 204 :KPYGEVRVDIAFG T0301 219 :P 1w61A 219 :F T0301 222 :FVNAEEIGYRGTE 1w61A 222 :IVPAEQLGIDISV T0301 240 :NGDPQQLARFERIRVAGA 1w61A 235 :QNLSRLQEAGELLRTEIN T0301 260 :MGL 1w61A 255 :VKV T0301 268 :EAATRQHT 1w61A 258 :QHPQLPHI T0301 276 :PKIAFVAPPRD 1w61A 269 :DCVEIYGPPTN T0301 298 :GDIDLLVRALSMGK 1w61A 280 :PEANYKNVVIFGNR T0301 312 :LHHAMMGTAAVAIGTAAAIPGTL 1w61A 295 :ADRSPCGTGTSAKMATLYAKGQL T0301 342 :GERSAVRFGHPSG 1w61A 318 :RIGETFVYESILG T0301 355 :TLRVGAEA 1w61A 332 :LFQGRVLG T0301 363 :SQ 1w61A 341 :ER Number of specific fragments extracted= 25 number of extra gaps= 6 total=605 Number of alignments=31 # 1w61A read from 1w61A/merged-good-all-a2m # found chain 1w61A in template set Warning: unaligning (T0301)P5 because first residue in template chain is (1w61A)F42 Warning: unaligning (T0301)A11 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1w61A)I49 Warning: unaligning (T0301)T12 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1w61A)I49 Warning: unaligning (T0301)L14 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1w61A)H52 Warning: unaligning (T0301)R15 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1w61A)H52 Warning: unaligning (T0301)S182 because of BadResidue code NON_PLANAR_PEPTIDE in next template residue (1w61A)L193 Warning: unaligning (T0301)I191 because of BadResidue code NON_PLANAR_PEPTIDE at template residue (1w61A)L193 Warning: unaligning (T0301)G217 because of BadResidue code BAD_PEPTIDE in next template residue (1w61A)N218 Warning: unaligning (T0301)I218 because of BadResidue code BAD_PEPTIDE at template residue (1w61A)N218 Warning: unaligning (T0301)T220 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1w61A)A221 Warning: unaligning (T0301)V221 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1w61A)A221 Warning: unaligning (T0301)L258 because of BadResidue code BAD_PEPTIDE in next template residue (1w61A)S254 Warning: unaligning (T0301)R259 because of BadResidue code BAD_PEPTIDE at template residue (1w61A)S254 T0301 6 :QIRIP 1w61A 43 :KKSFT T0301 13 :Y 1w61A 50 :D T0301 16 :GGTSKGVFF 1w61A 53 :TEGEAARIV T0301 26 :LEDLPE 1w61A 62 :TSGLPH T0301 33 :CRVPG 1w61A 68 :IPGSN T0301 38 :EARDRLFMRVIGSPDPYAAH 1w61A 82 :ENMDYLRRGIMLEPRGHDDM T0301 70 :KCVILSKSSQPGHDVDYLYGQV 1w61A 102 :FGAFLFDPIEEGADLGIVFMDT T0301 98 :VDWSGNCGNLSTGAGAFALHAGLVDPA 1w61A 124 :GGYLNMCGHNSIAAVTAAVETGIVSVP T0301 127 :PEDGICEVRIWQ 1w61A 151 :AKATNVPVVLDT T0301 141 :IGKTIIAHVPVSGGQVQET 1w61A 163 :PAGLVRGTAHLQSGTESEV T0301 172 :AEIVLEFLDP 1w61A 182 :SNASIINVPS T0301 195 :GNLVDDLEV 1w61A 194 :YQQDVVVVL T0301 204 :PGVGTFKATMINA 1w61A 204 :KPYGEVRVDIAFG T0301 219 :P 1w61A 219 :F T0301 222 :FVNAEEIGYRGTE 1w61A 222 :IVPAEQLGIDISV T0301 240 :NGDPQQLARFERIRVAGA 1w61A 235 :QNLSRLQEAGELLRTEIN T0301 260 :MGL 1w61A 255 :VKV T0301 264 :KT 1w61A 258 :QH T0301 272 :RQHTPKIAFVAPPRD 1w61A 265 :INTVDCVEIYGPPTN T0301 291 :SGK 1w61A 280 :PEA T0301 300 :IDLLVRALSMGKLHHAMMGTAAVAIGTAAAIPGTL 1w61A 283 :NYKNVVIFGNRQADRSPCGTGTSAKMATLYAKGQL T0301 342 :GERSAVRFGHPSG 1w61A 318 :RIGETFVYESILG T0301 355 :TLRVGA 1w61A 332 :LFQGRV T0301 361 :EASQANG 1w61A 339 :GEERIPG Number of specific fragments extracted= 24 number of extra gaps= 6 total=629 Number of alignments=32 # 1w61A read from 1w61A/merged-good-all-a2m # found chain 1w61A in template set Warning: unaligning (T0301)P5 because first residue in template chain is (1w61A)F42 Warning: unaligning (T0301)A11 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1w61A)I49 Warning: unaligning (T0301)T12 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1w61A)I49 Warning: unaligning (T0301)L14 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1w61A)H52 Warning: unaligning (T0301)R15 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1w61A)H52 Warning: unaligning (T0301)S182 because of BadResidue code NON_PLANAR_PEPTIDE in next template residue (1w61A)L193 Warning: unaligning (T0301)I191 because of BadResidue code NON_PLANAR_PEPTIDE at template residue (1w61A)L193 Warning: unaligning (T0301)G217 because of BadResidue code BAD_PEPTIDE in next template residue (1w61A)N218 Warning: unaligning (T0301)I218 because of BadResidue code BAD_PEPTIDE at template residue (1w61A)N218 Warning: unaligning (T0301)T220 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1w61A)A221 Warning: unaligning (T0301)V221 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1w61A)A221 Warning: unaligning (T0301)L258 because of BadResidue code BAD_PEPTIDE in next template residue (1w61A)S254 Warning: unaligning (T0301)R259 because of BadResidue code BAD_PEPTIDE at template residue (1w61A)S254 T0301 6 :QIRIP 1w61A 43 :KKSFT T0301 13 :Y 1w61A 50 :D T0301 16 :GGTSK 1w61A 53 :TEGEA T0301 22 :VFFRLEDLPES 1w61A 58 :ARIVTSGLPHI T0301 36 :PG 1w61A 69 :PG T0301 38 :EARDRLFMRVIGSPDPYAAH 1w61A 82 :ENMDYLRRGIMLEPRGHDDM T0301 70 :KCVILSKSSQPGHDVDYLYGQV 1w61A 102 :FGAFLFDPIEEGADLGIVFMDT T0301 98 :VDWSGNCGNLSTGAGAFALHAGLVDPA 1w61A 124 :GGYLNMCGHNSIAAVTAAVETGIVSVP T0301 127 :PEDGICEVRIWQ 1w61A 151 :AKATNVPVVLDT T0301 141 :IGKTIIAHVPVSGGQ 1w61A 163 :PAGLVRGTAHLQSGT T0301 168 :TFPAAEIVLEFLDP 1w61A 178 :ESEVSNASIINVPS T0301 195 :GNLVDDLEVP 1w61A 194 :YQQDVVVVLP T0301 205 :GVGTFKATMINA 1w61A 205 :PYGEVRVDIAFG T0301 219 :P 1w61A 219 :F T0301 222 :FVNAEEIGYRGTE 1w61A 222 :IVPAEQLGIDISV T0301 240 :NGDPQQLARFERIRVAGA 1w61A 235 :QNLSRLQEAGELLRTEIN T0301 260 :MGL 1w61A 255 :VKV T0301 263 :IKTP 1w61A 260 :PQLP T0301 272 :RQHTPKIAFVAPPRDYRT 1w61A 265 :INTVDCVEIYGPPTNPEA T0301 300 :IDLLVRALSMGKLHHAMMGTAAVAIGTAAAIPGTL 1w61A 283 :NYKNVVIFGNRQADRSPCGTGTSAKMATLYAKGQL T0301 342 :GERSAVRFGHPSG 1w61A 318 :RIGETFVYESILG T0301 355 :TLRVGAEAS 1w61A 332 :LFQGRVLGE Number of specific fragments extracted= 22 number of extra gaps= 6 total=651 Number of alignments=33 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1hzdA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1hzdA expands to /projects/compbio/data/pdb/1hzd.pdb.gz 1hzdA:# T0301 read from 1hzdA/merged-good-all-a2m # 1hzdA read from 1hzdA/merged-good-all-a2m # adding 1hzdA to template set # found chain 1hzdA in template set Warning: unaligning (T0301)T159 because first residue in template chain is (1hzdA)E74 T0301 160 :GDFELDGVTFPAAE 1hzdA 75 :DELRVRHLEEENRG T0301 174 :IVLEFLDPS 1hzdA 90 :VVLGINRAY T0301 185 :GE 1hzdA 99 :GK T0301 189 :GAIFPT 1hzdA 101 :NSLSKN T0301 205 :GVGTFKATMINAGIPTVFVNA 1hzdA 120 :SDKKVRTIIIRSEVPGIFCAG T0301 234 :ELREEIN 1hzdA 141 :ADLKERA T0301 241 :GDPQQLARFERIRVAGALRMGL 1hzdA 150 :SSSEVGPFVSKIRAVINDIANL T0301 274 :HTPKIAFVAP 1hzdA 172 :PVPTIAAIDG T0301 301 :DLL 1hzdA 182 :LAL T0301 320 :AAVAIGTAA 1hzdA 186 :GGLELALAC Number of specific fragments extracted= 10 number of extra gaps= 0 total=661 Number of alignments=34 # 1hzdA read from 1hzdA/merged-good-all-a2m # found chain 1hzdA in template set T0301 161 :DFELDGVTFPA 1hzdA 76 :ELRVRHLEEEN T0301 174 :IVLEFLDPS 1hzdA 90 :VVLGINRAY T0301 185 :GE 1hzdA 99 :GK T0301 189 :GAIFPT 1hzdA 101 :NSLSKN T0301 206 :VGTFKATMINAGIPTVFVNA 1hzdA 121 :DKKVRTIIIRSEVPGIFCAG T0301 234 :ELREEIN 1hzdA 141 :ADLKERA T0301 241 :GDPQQLARFERIRVAGALRMGL 1hzdA 150 :SSSEVGPFVSKIRAVINDIANL T0301 274 :HTPKIAFVAP 1hzdA 172 :PVPTIAAIDG T0301 302 :LL 1hzdA 183 :AL T0301 317 :M 1hzdA 185 :G T0301 320 :AAVAIGTAA 1hzdA 186 :GGLELALAC Number of specific fragments extracted= 11 number of extra gaps= 0 total=672 Number of alignments=35 # 1hzdA read from 1hzdA/merged-good-all-a2m # found chain 1hzdA in template set T0301 161 :DFELDGVTFPAA 1hzdA 76 :ELRVRHLEEENR T0301 174 :IVLEFLDPS 1hzdA 90 :VVLGINRAY T0301 187 :DGGAIFPT 1hzdA 99 :GKNSLSKN T0301 206 :VGTFKATMINAGIPTVFVNA 1hzdA 121 :DKKVRTIIIRSEVPGIFCAG T0301 234 :ELREEIN 1hzdA 141 :ADLKERA T0301 241 :GDPQQLARFERIRVAGALRMGL 1hzdA 150 :SSSEVGPFVSKIRAVINDIANL T0301 274 :HTPKIAFVA 1hzdA 172 :PVPTIAAID T0301 302 :LLVRA 1hzdA 181 :GLALG T0301 320 :AAVAIGTAA 1hzdA 186 :GGLELALAC Number of specific fragments extracted= 9 number of extra gaps= 0 total=681 Number of alignments=36 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1bwzA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1bwzA expands to /projects/compbio/data/pdb/1bwz.pdb.gz 1bwzA:# T0301 read from 1bwzA/merged-good-all-a2m # 1bwzA read from 1bwzA/merged-good-all-a2m # adding 1bwzA to template set # found chain 1bwzA in template set T0301 10 :PATYLRGGTSKGVFFRL 1bwzA 2 :QFSKMHGLGNDFVVVDG T0301 29 :LPESCRVPGEARDRLF 1bwzA 19 :VTQNVFFTPETIRRLA T0301 51 :PDPYAAH 1bwzA 35 :NRHCGIG T0301 68 :TSKCVILSKSSQPGHDVDYLYGQ 1bwzA 42 :FDQLLIVEAPYDPELDFHYRIFN T0301 94 :DK 1bwzA 66 :DG T0301 99 :DWSGNCGNLSTGAGAFALHAGLVD 1bwzA 68 :SEVSQCGNGARCFARFVTLKGLTN T0301 129 :DGICEVR 1bwzA 92 :KKDISVS T0301 140 :NIGKTIIAHV 1bwzA 99 :TQKGNMVLTV T0301 169 :FPAAEIVLEFLDPSDDGEDGGAIFPTGNLVDDLEVP 1bwzA 109 :KDMNQIRVNMGEPIWEPAKIPFTANKFEKNYILRTD T0301 206 :VGTFKATMINAGIPTVFVNAEEIGYRG 1bwzA 145 :IQTVLCGAVSMGNPHCVVQVDDIQTAN T0301 243 :PQQLARFE 1bwzA 173 :EQLGPLLE T0301 261 :GL 1bwzA 181 :SH T0301 268 :EAATR 1bwzA 183 :ERFPE T0301 275 :TPKIAFV 1bwzA 188 :RVNAGFM T0301 293 :KLVAAG 1bwzA 195 :QIINKE T0301 301 :DLLVRALSMGK 1bwzA 201 :HIKLRVYERGA T0301 312 :LHHAMMGTAAVAIGTAAA 1bwzA 213 :ETQACGSGACAAVAVGIM T0301 340 :GGGERSAVRFGHPSGTLRV 1bwzA 231 :QGLLNNNVQVDLPGGSLMI T0301 361 :EASQANGEWTVT 1bwzA 250 :EWNGVGHPLYMT Number of specific fragments extracted= 19 number of extra gaps= 0 total=700 Number of alignments=37 # 1bwzA read from 1bwzA/merged-good-all-a2m # found chain 1bwzA in template set T0301 10 :PATYLRGGTSKGVFFRL 1bwzA 2 :QFSKMHGLGNDFVVVDG T0301 29 :LPESCRVPGEARDRLF 1bwzA 19 :VTQNVFFTPETIRRLA T0301 51 :PDPYAAHI 1bwzA 35 :NRHCGIGF T0301 69 :SKCVILSKSSQPGHDVDYLYGQ 1bwzA 43 :DQLLIVEAPYDPELDFHYRIFN T0301 93 :IDK 1bwzA 65 :ADG T0301 99 :DWSGNCGNLSTGAGAFALHAGLVD 1bwzA 68 :SEVSQCGNGARCFARFVTLKGLTN T0301 129 :DGICEVR 1bwzA 92 :KKDISVS T0301 140 :NIGKTIIAHV 1bwzA 99 :TQKGNMVLTV T0301 169 :FPAAEIVLEFLDPSDDGEDGGAIFPTGNLVDDLEVPGV 1bwzA 109 :KDMNQIRVNMGEPIWEPAKIPFTANKFEKNYILRTDIQ T0301 208 :TFKATMINAGIPTVFVNAEEIGYRG 1bwzA 147 :TVLCGAVSMGNPHCVVQVDDIQTAN T0301 243 :PQQLARFE 1bwzA 173 :EQLGPLLE T0301 261 :GL 1bwzA 184 :RF T0301 273 :QHTPKIAFV 1bwzA 186 :PERVNAGFM T0301 293 :KLVAAG 1bwzA 195 :QIINKE T0301 301 :DLLVRALSMGK 1bwzA 201 :HIKLRVYERGA T0301 312 :LHHAMMGTAAVAIGTAAA 1bwzA 213 :ETQACGSGACAAVAVGIM T0301 340 :GGGERSAVRFGHPSGTLR 1bwzA 231 :QGLLNNNVQVDLPGGSLM T0301 360 :AEASQANGEWTV 1bwzA 249 :IEWNGVGHPLYM Number of specific fragments extracted= 18 number of extra gaps= 0 total=718 Number of alignments=38 # 1bwzA read from 1bwzA/merged-good-all-a2m # found chain 1bwzA in template set T0301 10 :PATYLRGGTSKGVFFR 1bwzA 2 :QFSKMHGLGNDFVVVD T0301 28 :DLPESCRVPGEARDRLF 1bwzA 18 :GVTQNVFFTPETIRRLA T0301 51 :PDPYAAHI 1bwzA 35 :NRHCGIGF T0301 69 :SKCVILSKSSQPGHDVDYLYGQ 1bwzA 43 :DQLLIVEAPYDPELDFHYRIFN T0301 94 :DK 1bwzA 66 :DG T0301 99 :DWSGNCGNLSTGAGAFALHAGLVDP 1bwzA 68 :SEVSQCGNGARCFARFVTLKGLTNK T0301 130 :GICEVR 1bwzA 93 :KDISVS T0301 140 :NIGKTIIAHV 1bwzA 99 :TQKGNMVLTV T0301 169 :FPAAEIVLEFLDPSDDGEDGGAIFPTGNLVDDLEVPGV 1bwzA 109 :KDMNQIRVNMGEPIWEPAKIPFTANKFEKNYILRTDIQ T0301 208 :TFKATMINAGIPTVFVNAEEIGYRG 1bwzA 147 :TVLCGAVSMGNPHCVVQVDDIQTAN T0301 243 :PQQLARFE 1bwzA 173 :EQLGPLLE T0301 272 :RQHTPKIAFV 1bwzA 185 :FPERVNAGFM T0301 293 :KLVAAG 1bwzA 195 :QIINKE T0301 301 :DLLVRALSMGK 1bwzA 201 :HIKLRVYERGA T0301 312 :LHHAMMGTAAVAIGTAAA 1bwzA 213 :ETQACGSGACAAVAVGIM T0301 340 :GGGERSAVRFGHPSGTLRV 1bwzA 231 :QGLLNNNVQVDLPGGSLMI T0301 361 :EASQANGEWTV 1bwzA 250 :EWNGVGHPLYM Number of specific fragments extracted= 17 number of extra gaps= 0 total=735 Number of alignments=39 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2g6yA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2g6yA expands to /projects/compbio/data/pdb/2g6y.pdb.gz 2g6yA:Skipped atom 8, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 12, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 14, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 16, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 18, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 53, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 57, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 59, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 61, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 63, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 65, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 67, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 69, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 241, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 245, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 247, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 249, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 251, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 286, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 290, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 292, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 294, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 296, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 298, because occupancy 0.500 <= existing 0.500 in 2g6yA Bad short name: CA1 for alphabet: pdb_atoms Bad short name: C1 for alphabet: pdb_atoms Bad short name: N2 for alphabet: pdb_atoms Bad short name: N3 for alphabet: pdb_atoms Bad short name: C2 for alphabet: pdb_atoms Bad short name: O2 for alphabet: pdb_atoms Bad short name: CA2 for alphabet: pdb_atoms Bad short name: CA3 for alphabet: pdb_atoms Bad short name: CB2 for alphabet: pdb_atoms Skipped atom 697, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 701, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 703, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 705, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 707, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 709, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 798, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 802, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 804, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 871, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 875, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 877, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 879, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 882, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 886, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 888, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 890, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 892, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 918, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 922, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 924, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 926, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 928, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 930, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1004, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1008, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1010, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1012, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1041, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1045, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1047, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1049, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1051, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1054, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1058, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1060, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1062, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1064, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1066, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1085, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1089, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1091, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1093, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1095, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1097, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1099, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1101, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1181, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1185, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1187, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1189, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1191, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1320, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1324, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1326, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1328, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1330, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1365, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1369, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1371, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1380, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1384, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1386, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1388, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1412, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1416, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1418, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1420, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1422, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1424, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1426, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1458, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1462, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1464, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1466, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1468, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1470, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1473, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1477, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1479, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1566, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1570, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1572, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1574, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1576, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1677, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1681, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1683, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1685, because occupancy 0.500 <= existing 0.500 in 2g6yA Skipped atom 1687, because occupancy 0.500 <= existing 0.500 in 2g6yA # T0301 read from 2g6yA/merged-good-all-a2m # 2g6yA read from 2g6yA/merged-good-all-a2m # adding 2g6yA to template set # found chain 2g6yA in template set Warning: unaligning (T0301)A113 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (2g6yA)F60 Warning: unaligning (T0301)A115 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (2g6yA)F60 Warning: unaligning (T0301)K293 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2g6yA)Y165 Warning: unaligning (T0301)L294 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2g6yA)Y165 Warning: unaligning (T0301)V358 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2g6yA)V209 Warning: unaligning (T0301)G359 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2g6yA)V209 T0301 87 :LYGQVSIDKPFVDWS 2g6yA 34 :MTNKMKSTKGALTFS T0301 106 :NLSTGAG 2g6yA 49 :PYLLSHV T0301 116 :LHAGLVDPARI 2g6yA 61 :YHFGTYPSGYE T0301 127 :PEDGICEVRIWQANIGKTIIAHVPV 2g6yA 79 :NNGGYTNTRIEKYEDGGVLHVSFSY T0301 152 :SGGQVQE 2g6yA 106 :EAGRVIG T0301 161 :DFELDGVTFPAA 2g6yA 113 :DFKVMGTGFPED T0301 184 :DGEDGGAIFPTGNLVDDLEVPGVGTFKATM 2g6yA 125 :SVIFTDKIIRSNATVEHLHPMGDNDLDGSF T0301 285 :RDYRTASG 2g6yA 156 :RTFSLRDG T0301 295 :VA 2g6yA 166 :YS T0301 300 :IDLLVRALSMGKLHHA 2g6yA 168 :SVVDSHMHFKSAIHPS T0301 338 :AAGGGERSA 2g6yA 184 :ILQNGGPMF T0301 347 :VRFGHPSGTLR 2g6yA 197 :VEEDHSNTELG T0301 360 :AEASQA 2g6yA 210 :EYQHAF Number of specific fragments extracted= 13 number of extra gaps= 2 total=748 Number of alignments=40 # 2g6yA read from 2g6yA/merged-good-all-a2m # found chain 2g6yA in template set Warning: unaligning (T0301)G112 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (2g6yA)F60 Warning: unaligning (T0301)A115 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (2g6yA)F60 Warning: unaligning (T0301)K293 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2g6yA)Y165 Warning: unaligning (T0301)L294 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2g6yA)Y165 Warning: unaligning (T0301)V358 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2g6yA)V209 Warning: unaligning (T0301)G359 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2g6yA)V209 T0301 87 :LYGQVSIDKPFVDWSG 2g6yA 34 :MTNKMKSTKGALTFSP T0301 106 :NLSTGA 2g6yA 50 :YLLSHV T0301 116 :LHAGLVDPARI 2g6yA 61 :YHFGTYPSGYE T0301 127 :PEDGICEVRIWQANIGKTIIAHVPV 2g6yA 79 :NNGGYTNTRIEKYEDGGVLHVSFSY T0301 152 :SGGQVQETGDFELDGVTFPA 2g6yA 106 :EAGRVIGDFKVMGTGFPEDS T0301 185 :GEDGGAIFPTGNLVDDLEVPGVGTFKATM 2g6yA 126 :VIFTDKIIRSNATVEHLHPMGDNDLDGSF T0301 286 :DYRTASG 2g6yA 157 :TFSLRDG T0301 295 :VA 2g6yA 166 :YS T0301 300 :IDLLVRALSMGKLHHA 2g6yA 168 :SVVDSHMHFKSAIHPS T0301 338 :AAGGGERS 2g6yA 184 :ILQNGGPM T0301 346 :AVRFGHPSGTLR 2g6yA 196 :RVEEDHSNTELG T0301 360 :AEASQ 2g6yA 210 :EYQHA Number of specific fragments extracted= 12 number of extra gaps= 2 total=760 Number of alignments=41 # 2g6yA read from 2g6yA/merged-good-all-a2m # found chain 2g6yA in template set Warning: unaligning (T0301)G112 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (2g6yA)F60 Warning: unaligning (T0301)F114 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (2g6yA)F60 Warning: unaligning (T0301)K293 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2g6yA)Y165 Warning: unaligning (T0301)L294 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2g6yA)Y165 Warning: unaligning (T0301)V358 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2g6yA)V209 Warning: unaligning (T0301)G359 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2g6yA)V209 T0301 87 :LYGQVSIDKPFVDWSG 2g6yA 34 :MTNKMKSTKGALTFSP T0301 106 :NLSTGA 2g6yA 50 :YLLSHV T0301 116 :LHAGLVDPARI 2g6yA 61 :YHFGTYPSGYE T0301 127 :PEDGICEVRIWQANIGKTIIAHVPV 2g6yA 79 :NNGGYTNTRIEKYEDGGVLHVSFSY T0301 152 :SGGQVQ 2g6yA 106 :EAGRVI T0301 160 :GDFELDGVTFPA 2g6yA 112 :GDFKVMGTGFPE T0301 184 :D 2g6yA 124 :D T0301 187 :DGGAIFPTGNLVDDLEVPGVGTFKATM 2g6yA 128 :FTDKIIRSNATVEHLHPMGDNDLDGSF T0301 286 :DYRTASG 2g6yA 157 :TFSLRDG T0301 295 :VA 2g6yA 166 :YS T0301 300 :IDLLVRALSMGKLHHA 2g6yA 168 :SVVDSHMHFKSAIHPS T0301 338 :AAGGGERSA 2g6yA 184 :ILQNGGPMF T0301 347 :VRFGHPSGTLR 2g6yA 197 :VEEDHSNTELG T0301 360 :AEASQA 2g6yA 210 :EYQHAF Number of specific fragments extracted= 14 number of extra gaps= 2 total=774 Number of alignments=42 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1s7jA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1s7jA expands to /projects/compbio/data/pdb/1s7j.pdb.gz 1s7jA:# T0301 read from 1s7jA/merged-good-all-a2m # 1s7jA read from 1s7jA/merged-good-all-a2m # adding 1s7jA to template set # found chain 1s7jA in template set T0301 8 :RIPATYLRG 1s7jA 2 :SYPYYIVDA T0301 17 :GTSKGVFFRLED 1s7jA 17 :KGNPAAVYVLEK T0301 34 :RVPGEARDRLFMRV 1s7jA 29 :WLPEAVMQNIAIEN T0301 67 :STSKCVILSKSSQ 1s7jA 43 :NLSETAFTVKEGQ T0301 85 :D 1s7jA 56 :S T0301 87 :LYGQVSIDKPFVDW 1s7jA 57 :YALRWFTPEREIDL T0301 104 :CGNLSTGAGAFALHAGLVDPARI 1s7jA 71 :CGHATLATAFVLFNYYSVAEETL T0301 128 :EDGICEVRI 1s7jA 98 :QSGPLAVTK T0301 141 :IGKTIIAHVPVSGGQV 1s7jA 107 :KEEYYYLDFPYILPER T0301 167 :VTFP 1s7jA 123 :IPIL T0301 204 :PGVGTF 1s7jA 135 :TKIYEA T0301 215 :NAGIPTVFV 1s7jA 141 :YLGRDLFFV T0301 230 :Y 1s7jA 150 :L T0301 241 :GDPQQLAR 1s7jA 151 :KDEETVAK T0301 249 :FERIRV 1s7jA 163 :FSALKA T0301 262 :L 1s7jA 169 :L T0301 273 :QHTPKIAFVAP 1s7jA 170 :DLGVGVIVTAS T0301 297 :AGDIDLLVRALSMGK 1s7jA 181 :GDSVDFVSRTFFPKL T0301 312 :LHHAMMGTAAVA 1s7jA 203 :CGSAHANLIPYW T0301 327 :AAAI 1s7jA 215 :GKRL T0301 341 :GGERSAVRFGHPS 1s7jA 219 :NQTTLSAYQVSPR T0301 354 :GTLRVGAE 1s7jA 233 :GFLTCEVK T0301 366 :NGEWTVT 1s7jA 241 :ENRVIIG Number of specific fragments extracted= 23 number of extra gaps= 0 total=797 Number of alignments=43 # 1s7jA read from 1s7jA/merged-good-all-a2m # found chain 1s7jA in template set T0301 8 :RIPATYLRG 1s7jA 2 :SYPYYIVDA T0301 17 :G 1s7jA 18 :G T0301 19 :SKGVFFRLED 1s7jA 19 :NPAAVYVLEK T0301 34 :RVPGEARDRLFMRV 1s7jA 29 :WLPEAVMQNIAIEN T0301 67 :STSKCVILSKSSQ 1s7jA 43 :NLSETAFTVKEGQ T0301 85 :D 1s7jA 56 :S T0301 87 :LYGQVSIDKPFVD 1s7jA 57 :YALRWFTPEREID T0301 103 :NCGNLSTGAGAFALHAGLVDPA 1s7jA 70 :LCGHATLATAFVLFNYYSVAEE T0301 131 :IC 1s7jA 92 :TL T0301 148 :HVPVSGGQVQETGD 1s7jA 94 :HFTSQSGPLAVTKK T0301 171 :AAEIVLEFLDPS 1s7jA 108 :EEYYYLDFPYIL T0301 185 :GEDGGAI 1s7jA 120 :PERIPIL T0301 194 :TGNLVDDLE 1s7jA 134 :GTKIYEAYL T0301 217 :GIPTVFV 1s7jA 143 :GRDLFFV T0301 225 :A 1s7jA 150 :L T0301 241 :GDPQQ 1s7jA 151 :KDEET T0301 249 :FE 1s7jA 156 :VA T0301 261 :GLIKTPEEAATRQHTPKIAFVAPPR 1s7jA 158 :KITPDFSALKALDLGVGVIVTASGD T0301 299 :DIDLLVRALSMGK 1s7jA 183 :SVDFVSRTFFPKL T0301 312 :LHHAMMGTAAVA 1s7jA 203 :CGSAHANLIPYW T0301 336 :NLAA 1s7jA 215 :GKRL T0301 341 :GGERSAVRFGHPS 1s7jA 219 :NQTTLSAYQVSPR T0301 354 :GTLRVGAE 1s7jA 233 :GFLTCEVK T0301 366 :NGEWTV 1s7jA 241 :ENRVII Number of specific fragments extracted= 24 number of extra gaps= 0 total=821 Number of alignments=44 # 1s7jA read from 1s7jA/merged-good-all-a2m # found chain 1s7jA in template set T0301 8 :RIPATYLRGG 1s7jA 2 :SYPYYIVDAF T0301 18 :TSKGVFFRLED 1s7jA 18 :GNPAAVYVLEK T0301 34 :RVPGEARDRLFMRV 1s7jA 29 :WLPEAVMQNIAIEN T0301 67 :STSKCVILSKSSQ 1s7jA 43 :NLSETAFTVKEGQ T0301 85 :D 1s7jA 56 :S T0301 87 :LYGQVSIDKPFVDW 1s7jA 57 :YALRWFTPEREIDL T0301 104 :CGNLSTGAGAFALHAGLVDP 1s7jA 71 :CGHATLATAFVLFNYYSVAE T0301 130 :GICEV 1s7jA 91 :ETLHF T0301 139 :ANIGKTIIAH 1s7jA 96 :TSQSGPLAVT T0301 151 :VSGGQVQET 1s7jA 106 :KKEEYYYLD T0301 178 :FLDPS 1s7jA 115 :FPYIL T0301 185 :GEDGGAI 1s7jA 120 :PERIPIL T0301 194 :TGNLVDDLE 1s7jA 134 :GTKIYEAYL T0301 217 :GIPTVFVN 1s7jA 143 :GRDLFFVL T0301 241 :GDPQQLA 1s7jA 151 :KDEETVA T0301 261 :GLIKTPEEAATRQHTPKIAFVAPPRD 1s7jA 158 :KITPDFSALKALDLGVGVIVTASGDS T0301 300 :IDLLVRALSMGK 1s7jA 184 :VDFVSRTFFPKL T0301 312 :LHHAMMGTAAVA 1s7jA 203 :CGSAHANLIPYW T0301 336 :NLAAGG 1s7jA 215 :GKRLNQ T0301 343 :ERSAVRFGHPSG 1s7jA 221 :TTLSAYQVSPRG T0301 355 :TLRVG 1s7jA 234 :FLTCE T0301 362 :AS 1s7jA 239 :VK T0301 366 :NGEWTV 1s7jA 241 :ENRVII Number of specific fragments extracted= 23 number of extra gaps= 0 total=844 Number of alignments=45 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2azpA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2azpA expands to /projects/compbio/data/pdb/2azp.pdb.gz 2azpA:# T0301 read from 2azpA/merged-good-all-a2m # 2azpA read from 2azpA/merged-good-all-a2m # adding 2azpA to template set # found chain 2azpA in template set T0301 5 :PQIRIPATYLRGGTSKGVFF 2azpA -1 :HMQRIRIIDSHTGGEPTRLV T0301 26 :LEDLPES 2azpA 20 :IGGFPDL T0301 34 :RVPG 2azpA 27 :GQGD T0301 38 :EARDRLFMRVIGSPD 2azpA 40 :ERHDAWRAACILEPR T0301 65 :TSSTSKCVILSKSSQPGHDVDYLYG 2azpA 55 :GSDVLVGALLCAPVDPEACAGVIFF T0301 93 :IDKPFV 2azpA 80 :NNSGYL T0301 102 :GNCGNLSTGAGAFALHAGLVD 2azpA 86 :GMCGHGTIGLVASLAHLGRIG T0301 129 :DGICEVR 2azpA 107 :PGVHRIE T0301 139 :ANIG 2azpA 114 :TPVG T0301 144 :TIIAHV 2azpA 118 :EVEATL T0301 169 :FPAAEIVLEFLDPS 2azpA 124 :HEDGSVSVRNVPAY T0301 194 :TGNLVDDLEVPGVGTFKATMINAGIPTVFVN 2azpA 138 :RYRRQVSVEVPGIGRVSGDIAWGGNWFFLVA T0301 229 :GYRGTELR 2azpA 169 :GHGQRLAG T0301 240 :NGDPQQLARFERIRVAGAL 2azpA 177 :DNLDALTAYTVAVQQALDD T0301 260 :MGL 2azpA 196 :QDI T0301 264 :KTPEEA 2azpA 199 :RGEDGG T0301 274 :HTPKIAFVA 2azpA 205 :AIDHIELFA T0301 296 :AAGDIDLLVRALSMGKLH 2azpA 214 :DDPHADSRNFVLCPGKAY T0301 314 :HAMMGTAAVAIGTAAAIPGT 2azpA 233 :RSPCGTGTSAKLACLAADGK T0301 341 :GGERSAVRFGHPSG 2azpA 253 :LLPGQPWRQASVIG T0301 355 :TLRVGAEA 2azpA 268 :QFEGRYEW T0301 363 :SQANGEWTVT 2azpA 278 :GQPGGPIVPT Number of specific fragments extracted= 22 number of extra gaps= 0 total=866 Number of alignments=46 # 2azpA read from 2azpA/merged-good-all-a2m # found chain 2azpA in template set T0301 5 :PQIRIPATYLRGGTSKGVFF 2azpA -1 :HMQRIRIIDSHTGGEPTRLV T0301 26 :LEDLPES 2azpA 20 :IGGFPDL T0301 34 :RVPG 2azpA 27 :GQGD T0301 38 :EARDRLFMRVIGSPD 2azpA 40 :ERHDAWRAACILEPR T0301 65 :TSSTSKCVILSKSSQPGHDVDYLYG 2azpA 55 :GSDVLVGALLCAPVDPEACAGVIFF T0301 93 :IDKPF 2azpA 80 :NNSGY T0301 101 :SGNCGNLSTGAGAFALHAGLVD 2azpA 85 :LGMCGHGTIGLVASLAHLGRIG T0301 129 :DGICEV 2azpA 107 :PGVHRI T0301 150 :PVSGGQVQET 2azpA 113 :ETPVGEVEAT T0301 164 :L 2azpA 123 :L T0301 169 :FPAAEIVLEFLDPS 2azpA 124 :HEDGSVSVRNVPAY T0301 194 :TGNLVDDLEVPGVGTFKATMINAGIPTVFVNAEEIGYRG 2azpA 138 :RYRRQVSVEVPGIGRVSGDIAWGGNWFFLVAGHGQRLAG T0301 240 :NGDPQQLARFERIRVAGA 2azpA 177 :DNLDALTAYTVAVQQALD T0301 259 :RMGLIK 2azpA 195 :DQDIRG T0301 270 :ATRQHTPKIAFVA 2azpA 201 :EDGGAIDHIELFA T0301 296 :AAGDIDLLVRALSMGK 2azpA 214 :DDPHADSRNFVLCPGK T0301 312 :LHHAMMGTAAVAIGTAAAIPGT 2azpA 231 :YDRSPCGTGTSAKLACLAADGK T0301 341 :GGERSAVRFGHPSG 2azpA 253 :LLPGQPWRQASVIG T0301 355 :TLRVGAEA 2azpA 268 :QFEGRYEW T0301 363 :SQANGEWTV 2azpA 278 :GQPGGPIVP Number of specific fragments extracted= 20 number of extra gaps= 0 total=886 Number of alignments=47 # 2azpA read from 2azpA/merged-good-all-a2m # found chain 2azpA in template set T0301 5 :PQIRIPATYLRGGTSK 2azpA -1 :HMQRIRIIDSHTGGEP T0301 22 :VFFRLEDLPESCRVP 2azpA 16 :TRLVIGGFPDLGQGD T0301 37 :GEARDRLFMRVIGSPDPYAAHI 2azpA 39 :GERHDAWRAACILEPRGSDVLV T0301 71 :CVILSKSSQPGHDVDYLYG 2azpA 61 :GALLCAPVDPEACAGVIFF T0301 93 :IDKPFV 2azpA 80 :NNSGYL T0301 102 :GNCGNLSTGAGAFALHAGLVDP 2azpA 86 :GMCGHGTIGLVASLAHLGRIGP T0301 130 :GICEVR 2azpA 108 :GVHRIE T0301 139 :ANIG 2azpA 114 :TPVG T0301 144 :TIIAHVP 2azpA 118 :EVEATLH T0301 170 :PAAEIVLEFLDPS 2azpA 125 :EDGSVSVRNVPAY T0301 194 :TGNLVDDLEVPGVGTFKATMINAGIPTVFVN 2azpA 138 :RYRRQVSVEVPGIGRVSGDIAWGGNWFFLVA T0301 229 :GYRGTELR 2azpA 169 :GHGQRLAG T0301 240 :NGDPQQLARFERIRVAGALR 2azpA 177 :DNLDALTAYTVAVQQALDDQ T0301 261 :GLIK 2azpA 197 :DIRG T0301 270 :ATRQHTPKIAFV 2azpA 201 :EDGGAIDHIELF T0301 295 :VAAGDIDLLVRALSMGKLH 2azpA 213 :ADDPHADSRNFVLCPGKAY T0301 314 :HAMMGTAAVAIGTAAAIPGT 2azpA 233 :RSPCGTGTSAKLACLAADGK T0301 341 :GGERSAVRFGHPSGT 2azpA 253 :LLPGQPWRQASVIGS T0301 357 :RVGAEASQ 2azpA 268 :QFEGRYEW T0301 365 :ANGEWTVT 2azpA 280 :PGGPIVPT Number of specific fragments extracted= 20 number of extra gaps= 0 total=906 Number of alignments=48 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1t6kA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1t6kA expands to /projects/compbio/data/pdb/1t6k.pdb.gz 1t6kA:# T0301 read from 1t6kA/merged-good-all-a2m # 1t6kA read from 1t6kA/merged-good-all-a2m # adding 1t6kA to template set # found chain 1t6kA in template set T0301 17 :GTSKGVFFRLEDLP 1t6kA 17 :GNPVAVFFDADDLP T0301 37 :GEARDRLFMRV 1t6kA 31 :PAQMQRIAREM T0301 67 :STSKCVILSKSSQPGHD 1t6kA 42 :NLSESTFVLKPRNGGDA T0301 88 :YGQVSIDKPFVDW 1t6kA 59 :LIRIFTPVNELPF T0301 104 :CGNLSTGAGAFALHAG 1t6kA 72 :AGHPLLGTAIALGAHT T0301 128 :EDGICEVRI 1t6kA 88 :DNHRLYLET T0301 141 :IGKTIIAHVPVSGGQVQE 1t6kA 97 :QMGTIAFELERQNGSVIA T0301 162 :FELDGVTFPAAEI 1t6kA 115 :ASMDQPIPTWTAL T0301 185 :GE 1t6kA 128 :GR T0301 201 :LEVPGV 1t6kA 137 :LGISDS T0301 208 :TFKATMINAGIPTVFVNAEEI 1t6kA 143 :TFPIEIYHNGPRHVFVGLPSI T0301 247 :ARFER 1t6kA 164 :DALSA T0301 263 :IKTPEEAATRQHTPKIAFVAPP 1t6kA 169 :LHPDHRALSNFHDMAINCFAGA T0301 291 :SG 1t6kA 191 :GR T0301 301 :DLLVRALSMG 1t6kA 193 :RWRSRMFSPA T0301 315 :AMMGTAAVAIGTAAAIPGTL 1t6kA 209 :AATGSAAGPLAIHLARHGQI T0301 340 :GGGERSAVRFGHPSG 1t6kA 229 :EFGQPVEILQGVEIG T0301 355 :TLRVGAEASQANGE 1t6kA 245 :PSLMFAKAEGRAEQ T0301 371 :VTKA 1t6kA 259 :LTRV Number of specific fragments extracted= 19 number of extra gaps= 0 total=925 Number of alignments=49 # 1t6kA read from 1t6kA/merged-good-all-a2m # found chain 1t6kA in template set T0301 17 :GTSKGVFFRLEDLP 1t6kA 17 :GNPVAVFFDADDLP T0301 37 :GEARDRLFMRV 1t6kA 31 :PAQMQRIAREM T0301 67 :STSKCVILSKSSQPGHD 1t6kA 42 :NLSESTFVLKPRNGGDA T0301 88 :YGQVSIDKPFVDW 1t6kA 59 :LIRIFTPVNELPF T0301 104 :CGNLSTGAGAFALHAG 1t6kA 72 :AGHPLLGTAIALGAHT T0301 128 :EDGICEVRI 1t6kA 88 :DNHRLYLET T0301 141 :IGKTIIAHVPVSGGQVQE 1t6kA 97 :QMGTIAFELERQNGSVIA T0301 162 :FELDGVTFPAAEI 1t6kA 115 :ASMDQPIPTWTAL T0301 185 :GE 1t6kA 128 :GR T0301 205 :GVGTFKATMINAGIPTVFVNAEEI 1t6kA 140 :SDSTFPIEIYHNGPRHVFVGLPSI T0301 247 :ARFER 1t6kA 164 :DALSA T0301 262 :LIKTPEEAATRQHT 1t6kA 169 :LHPDHRALSNFHDM T0301 277 :KIAFVAP 1t6kA 183 :AINCFAG T0301 290 :ASG 1t6kA 190 :AGR T0301 301 :DLLVRALSMGKL 1t6kA 193 :RWRSRMFSPAYG T0301 313 :HHAMMGTAAVAIGTAAAIPGTL 1t6kA 207 :EDAATGSAAGPLAIHLARHGQI T0301 340 :GGGERSAVRFGHPSG 1t6kA 229 :EFGQPVEILQGVEIG T0301 355 :TLRVGAEASQANGEW 1t6kA 245 :PSLMFAKAEGRAEQL T0301 372 :TK 1t6kA 260 :TR Number of specific fragments extracted= 19 number of extra gaps= 0 total=944 Number of alignments=50 # 1t6kA read from 1t6kA/merged-good-all-a2m # found chain 1t6kA in template set T0301 17 :GTSKGVFFRLEDLP 1t6kA 17 :GNPVAVFFDADDLP T0301 37 :GEARDRLFMRV 1t6kA 31 :PAQMQRIAREM T0301 67 :STSKCVILSKSSQPGHD 1t6kA 42 :NLSESTFVLKPRNGGDA T0301 88 :YGQVSIDKPFVDWS 1t6kA 59 :LIRIFTPVNELPFA T0301 105 :GNLSTGAGAFALHAG 1t6kA 73 :GHPLLGTAIALGAHT T0301 128 :EDGICEVRI 1t6kA 88 :DNHRLYLET T0301 141 :IGKTIIAHVPVSGGQVQE 1t6kA 97 :QMGTIAFELERQNGSVIA T0301 162 :FELDGVTFPAAEI 1t6kA 115 :ASMDQPIPTWTAL T0301 204 :P 1t6kA 128 :G T0301 205 :GVGTFKATMINAGIPTVFVNAEEI 1t6kA 140 :SDSTFPIEIYHNGPRHVFVGLPSI T0301 247 :ARFER 1t6kA 164 :DALSA T0301 262 :LIKTPEEAATRQHTPKIAFVAP 1t6kA 169 :LHPDHRALSNFHDMAINCFAGA T0301 299 :DIDLLVRALSMG 1t6kA 191 :GRRWRSRMFSPA T0301 315 :AMMGTAAVAIGTAAAIPGTL 1t6kA 209 :AATGSAAGPLAIHLARHGQI T0301 340 :GGGERSAVRFGHPSG 1t6kA 229 :EFGQPVEILQGVEIG T0301 355 :TLRVGAEASQANGE 1t6kA 245 :PSLMFAKAEGRAEQ T0301 371 :VTKA 1t6kA 259 :LTRV Number of specific fragments extracted= 17 number of extra gaps= 0 total=961 Number of alignments=51 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1oe4A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1oe4A expands to /projects/compbio/data/pdb/1oe4.pdb.gz 1oe4A:Skipped atom 830, because occupancy 0.500 <= existing 0.500 in 1oe4A Skipped atom 832, because occupancy 0.500 <= existing 0.500 in 1oe4A Skipped atom 835, because occupancy 0.500 <= existing 0.500 in 1oe4A Skipped atom 837, because occupancy 0.500 <= existing 0.500 in 1oe4A Skipped atom 839, because occupancy 0.500 <= existing 0.500 in 1oe4A Skipped atom 2098, because occupancy 0.500 <= existing 0.500 in 1oe4A Skipped atom 2100, because occupancy 0.500 <= existing 0.500 in 1oe4A Skipped atom 2103, because occupancy 0.500 <= existing 0.500 in 1oe4A Skipped atom 2105, because occupancy 0.500 <= existing 0.500 in 1oe4A Skipped atom 2107, because occupancy 0.500 <= existing 0.500 in 1oe4A # T0301 read from 1oe4A/merged-good-all-a2m # 1oe4A read from 1oe4A/merged-good-all-a2m # adding 1oe4A to template set # found chain 1oe4A in template set T0301 212 :TMINAGIPTVFVNAEEIGYRGTELREEIN 1oe4A 170 :CFVHNHCPLIFMNHSGKNLTPTDLPKAQR T0301 243 :PQQLARFERIRVAGALRMGL 1oe4A 199 :DTLLEICDEALCQAVRVLGV T0301 276 :PKIAFVA 1oe4A 219 :KLVIGVG Number of specific fragments extracted= 3 number of extra gaps= 0 total=964 Number of alignments=52 # 1oe4A read from 1oe4A/merged-good-all-a2m # found chain 1oe4A in template set T0301 212 :TMINAGIPTVFVN 1oe4A 170 :CFVHNHCPLIFMN T0301 225 :AEEIG 1oe4A 190 :PTDLP T0301 237 :EEIN 1oe4A 195 :KAQR T0301 243 :PQQLARFERIRVAGALRMGL 1oe4A 199 :DTLLEICDEALCQAVRVLGV T0301 264 :K 1oe4A 219 :K T0301 266 :PEEAATRQHTPKIAFVAPP 1oe4A 233 :RKALMAEGIDVTVKGIMHP T0301 309 :M 1oe4A 252 :S Number of specific fragments extracted= 7 number of extra gaps= 0 total=971 Number of alignments=53 # 1oe4A read from 1oe4A/merged-good-all-a2m # found chain 1oe4A in template set T0301 212 :TMINAGIPTVFVNAEEIGYRGTELREEIN 1oe4A 170 :CFVHNHCPLIFMNHSGKNLTPTDLPKAQR T0301 243 :PQQLARFERIRVAGALRMGLI 1oe4A 199 :DTLLEICDEALCQAVRVLGVK T0301 266 :PEEAATRQHTPKIAFVAPPRD 1oe4A 233 :RKALMAEGIDVTVKGIMHPSP Number of specific fragments extracted= 3 number of extra gaps= 0 total=974 Number of alignments=54 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1ejxC/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1ejxC expands to /projects/compbio/data/pdb/1ejx.pdb.gz 1ejxC:Skipped atom 387, because occupancy 0.500 <= existing 0.500 in 1ejxC Skipped atom 389, because occupancy 0.500 <= existing 0.500 in 1ejxC Skipped atom 391, because occupancy 0.500 <= existing 0.500 in 1ejxC Skipped atom 700, because occupancy 0.500 <= existing 0.500 in 1ejxC Skipped atom 702, because occupancy 0.500 <= existing 0.500 in 1ejxC Skipped atom 704, because occupancy 0.500 <= existing 0.500 in 1ejxC Skipped atom 1365, because occupancy 0.500 <= existing 0.500 in 1ejxC Skipped atom 1367, because occupancy 0.500 <= existing 0.500 in 1ejxC Skipped atom 1369, because occupancy 0.500 <= existing 0.500 in 1ejxC Bad short name: CX for alphabet: pdb_atoms Bad short name: OQ1 for alphabet: pdb_atoms Bad short name: OQ2 for alphabet: pdb_atoms Skipped atom 1699, because occupancy 0.500 <= existing 0.500 in 1ejxC Skipped atom 1701, because occupancy 0.500 <= existing 0.500 in 1ejxC Skipped atom 1703, because occupancy 0.500 <= existing 0.500 in 1ejxC Skipped atom 2582, because occupancy 0.500 <= existing 0.500 in 1ejxC # T0301 read from 1ejxC/merged-good-all-a2m # 1ejxC read from 1ejxC/merged-good-all-a2m # adding 1ejxC to template set # found chain 1ejxC in template set Warning: unaligning (T0301)V304 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ejxC)I1218 Warning: unaligning (T0301)A306 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ejxC)I1218 T0301 91 :VSIDKPFVDWSGNCGN 1ejxC 1030 :IEVEDDLTTYGEEVKF T0301 116 :LHAGLVDPARI 1ejxC 1055 :MGQGQMLAADC T0301 130 :GICEVRIWQANIGKTIIAHVPVSGGQVQETGDFELDG 1ejxC 1067 :DLVLTNALIVDHWGIVKADIGVKDGRIFAIGKAGNPD T0301 170 :PAAEIVLEF 1ejxC 1104 :IQPNVTIPI T0301 185 :GEDGGAIFPTGNLVDDL 1ejxC 1113 :GAATEVIAAEGKIVTAG T0301 209 :FKATMINA 1ejxC 1130 :GIDTHIHW T0301 217 :GIPTVFVNAE 1ejxC 1150 :GVTTMVGGGT T0301 234 :ELREEING 1ejxC 1160 :GPAAGTHA T0301 245 :QLARFERIRVAG 1ejxC 1173 :GPWYISRMLQAA T0301 272 :RQHTPKIAFVA 1ejxC 1185 :DSLPVNIGLLG T0301 283 :PPRDYRT 1ejxC 1201 :QPDALRE T0301 302 :LL 1ejxC 1214 :IG T0301 307 :LSM 1ejxC 1219 :HED T0301 313 :HHAMMGTAAVAIGTAAAIPGTLVNLAAGGGERSA 1ejxC 1222 :WGATPAAIDCALTVADEMDIQVALHSDTLNESGF T0301 347 :VRFGHPSG 1ejxC 1268 :IHTFHTEG Number of specific fragments extracted= 15 number of extra gaps= 0 total=989 Number of alignments=55 # 1ejxC read from 1ejxC/merged-good-all-a2m # found chain 1ejxC in template set Warning: unaligning (T0301)V304 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ejxC)I1218 Warning: unaligning (T0301)A306 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ejxC)I1218 T0301 56 :AHIDGMG 1ejxC 1050 :VIRDGMG T0301 118 :AGLVDPARI 1ejxC 1057 :QGQMLAADC T0301 130 :GICEVRIWQANIGKTIIAHVPVSGGQVQETGDFELDG 1ejxC 1067 :DLVLTNALIVDHWGIVKADIGVKDGRIFAIGKAGNPD T0301 168 :TFPAAEIVL 1ejxC 1104 :IQPNVTIPI T0301 185 :GEDGGAIFPTGNLVDD 1ejxC 1113 :GAATEVIAAEGKIVTA T0301 208 :TFKATMINA 1ejxC 1129 :GGIDTHIHW T0301 217 :GIPTVFVNA 1ejxC 1150 :GVTTMVGGG T0301 231 :RGT 1ejxC 1159 :TGP T0301 236 :REEINGD 1ejxC 1162 :AAGTHAT T0301 245 :QLARFERIRVAG 1ejxC 1173 :GPWYISRMLQAA T0301 272 :RQHTPKIAFVAP 1ejxC 1185 :DSLPVNIGLLGK T0301 284 :PRDYRTA 1ejxC 1202 :PDALREQ T0301 292 :GK 1ejxC 1212 :GV T0301 302 :LL 1ejxC 1214 :IG T0301 307 :LSM 1ejxC 1219 :HED T0301 313 :HHAMMGTAAVAIGTAAAIPGTLVNLAAGGG 1ejxC 1222 :WGATPAAIDCALTVADEMDIQVALHSDTLN T0301 343 :ERSAVRFGHPSG 1ejxC 1264 :GGRTIHTFHTEG Number of specific fragments extracted= 17 number of extra gaps= 0 total=1006 Number of alignments=56 # 1ejxC read from 1ejxC/merged-good-all-a2m # found chain 1ejxC in template set Warning: unaligning (T0301)V304 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ejxC)I1218 Warning: unaligning (T0301)A306 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ejxC)I1218 T0301 117 :HAGLVDPARI 1ejxC 1056 :GQGQMLAADC T0301 130 :GICEVRIWQANIGKTIIAHVPVSGGQVQETGDFELD 1ejxC 1067 :DLVLTNALIVDHWGIVKADIGVKDGRIFAIGKAGNP T0301 169 :FPAAEIVLEF 1ejxC 1103 :DIQPNVTIPI T0301 185 :GEDGGAIFPTGNLVDD 1ejxC 1113 :GAATEVIAAEGKIVTA T0301 208 :TFKATMINA 1ejxC 1129 :GGIDTHIHW T0301 217 :GIPTVFVNAE 1ejxC 1150 :GVTTMVGGGT T0301 232 :GT 1ejxC 1160 :GP T0301 236 :REEINGD 1ejxC 1162 :AAGTHAT T0301 245 :QLARFERIRVAG 1ejxC 1173 :GPWYISRMLQAA T0301 272 :RQHTPKIAFVAPPRDYR 1ejxC 1185 :DSLPVNIGLLGKGNVSQ T0301 302 :LL 1ejxC 1214 :IG T0301 307 :LSMGKLHHA 1ejxC 1219 :HEDWGATPA T0301 317 :MGTAA 1ejxC 1228 :AIDCA T0301 324 :IGTAAAI 1ejxC 1233 :LTVADEM Number of specific fragments extracted= 14 number of extra gaps= 0 total=1020 Number of alignments=57 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1qyaA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1qyaA expands to /projects/compbio/data/pdb/1qya.pdb.gz 1qyaA:Skipped atom 1217, because occupancy 0.500 <= existing 0.500 in 1qyaA Skipped atom 1221, because occupancy 0.500 <= existing 0.500 in 1qyaA Skipped atom 1223, because occupancy 0.500 <= existing 0.500 in 1qyaA Skipped atom 1225, because occupancy 0.500 <= existing 0.500 in 1qyaA Skipped atom 1227, because occupancy 0.500 <= existing 0.500 in 1qyaA Skipped atom 1229, because occupancy 0.500 <= existing 0.500 in 1qyaA Skipped atom 1231, because occupancy 0.500 <= existing 0.500 in 1qyaA Skipped atom 1999, because occupancy 0.500 <= existing 0.500 in 1qyaA Skipped atom 2003, because occupancy 0.500 <= existing 0.500 in 1qyaA Skipped atom 2005, because occupancy 0.500 <= existing 0.500 in 1qyaA Skipped atom 2007, because occupancy 0.500 <= existing 0.500 in 1qyaA Skipped atom 2009, because occupancy 0.500 <= existing 0.500 in 1qyaA Skipped atom 2148, because occupancy 0.500 <= existing 0.500 in 1qyaA Skipped atom 2152, because occupancy 0.500 <= existing 0.500 in 1qyaA Skipped atom 2154, because occupancy 0.500 <= existing 0.500 in 1qyaA # T0301 read from 1qyaA/merged-good-all-a2m # 1qyaA read from 1qyaA/merged-good-all-a2m # adding 1qyaA to template set # found chain 1qyaA in template set Warning: unaligning (T0301)W100 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1qyaA)H74 Warning: unaligning (T0301)N106 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1qyaA)H74 Warning: unaligning (T0301)E128 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1qyaA)K102 Warning: unaligning (T0301)I131 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1qyaA)K102 Warning: unaligning (T0301)L197 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1qyaA)I154 Warning: unaligning (T0301)V198 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1qyaA)I154 Warning: unaligning (T0301)E202 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1qyaA)T159 Warning: unaligning (T0301)V203 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1qyaA)T159 T0301 17 :GTSKGVFFRLEDLP 1qyaA 18 :GNSAGVVFPADNLS T0301 37 :GEARDRLFMRV 1qyaA 32 :EAQMQLIAREL T0301 67 :STSKCVILSKSSQPGHDVDYL 1qyaA 43 :GHSETAFLLHSDDSDVRIRYF T0301 93 :IDKPFVD 1qyaA 64 :TPTVEVP T0301 107 :LS 1qyaA 75 :AT T0301 109 :TGAGAFALHAGL 1qyaA 78 :AAHYVRAKVLGL T0301 127 :P 1qyaA 98 :S T0301 132 :CEVRIWQANIGKTIIAHV 1qyaA 103 :HRVTIEKHNDDYRISLEQ T0301 154 :GQVQ 1qyaA 121 :GTPG T0301 178 :FLDPSD 1qyaA 125 :FEPPLE T0301 185 :GE 1qyaA 131 :GE T0301 187 :DGGAIFP 1qyaA 144 :TEDDILP T0301 195 :GN 1qyaA 151 :GL T0301 199 :DDL 1qyaA 155 :QVA T0301 204 :PG 1qyaA 160 :GH T0301 210 :KATMINAGI 1qyaA 162 :SKVMIPLKP T0301 223 :VNAEEIGYR 1qyaA 172 :VDIDALSPD T0301 246 :LARFERIRV 1qyaA 181 :LNALTAISK T0301 259 :RMGL 1qyaA 190 :KIGC T0301 275 :TPKIAFVAPP 1qyaA 194 :NGFFPFQIRP T0301 298 :GDIDLLVRALSMGK 1qyaA 204 :GKNETDGRMFSPAI T0301 315 :AMMGTAAVAIGTAA 1qyaA 223 :PVTGNANGPMGAWL T0301 335 :VNLAAGGGERS 1qyaA 237 :VHHNVLPHDGN T0301 346 :AVRFGH 1qyaA 250 :RVKGHQ T0301 352 :PSGTLRVGAEASQA 1qyaA 261 :RDGMIEVTVTIRDN T0301 368 :E 1qyaA 275 :Q T0301 371 :VTKA 1qyaA 276 :PEKV Number of specific fragments extracted= 27 number of extra gaps= 2 total=1047 Number of alignments=58 # 1qyaA read from 1qyaA/merged-good-all-a2m # found chain 1qyaA in template set Warning: unaligning (T0301)N103 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1qyaA)H74 Warning: unaligning (T0301)N106 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1qyaA)H74 Warning: unaligning (T0301)I131 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1qyaA)K102 Warning: unaligning (T0301)L197 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1qyaA)I154 Warning: unaligning (T0301)V198 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1qyaA)I154 Warning: unaligning (T0301)E202 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1qyaA)T159 Warning: unaligning (T0301)V203 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1qyaA)T159 T0301 17 :GTSKGVFFRLEDLP 1qyaA 18 :GNSAGVVFPADNLS T0301 37 :GEARDRLFMRV 1qyaA 32 :EAQMQLIAREL T0301 67 :STSKCVILSKSSQPGHDVDYL 1qyaA 43 :GHSETAFLLHSDDSDVRIRYF T0301 93 :IDKPFVD 1qyaA 64 :TPTVEVP T0301 107 :LSTGAGAFALH 1qyaA 75 :ATVAAHYVRAK T0301 118 :AGL 1qyaA 87 :LGL T0301 125 :RI 1qyaA 93 :TI T0301 132 :CEVRIWQANIGKTIIAHV 1qyaA 103 :HRVTIEKHNDDYRISLEQ T0301 154 :GQVQETG 1qyaA 121 :GTPGFEP T0301 181 :PSD 1qyaA 128 :PLE T0301 185 :GE 1qyaA 131 :GE T0301 187 :DGGAIFP 1qyaA 144 :TEDDILP T0301 195 :GN 1qyaA 151 :GL T0301 199 :DDL 1qyaA 155 :QVA T0301 208 :TFKATMINAGI 1qyaA 160 :GHSKVMIPLKP T0301 223 :VNAEEIGYR 1qyaA 172 :VDIDALSPD T0301 246 :LARFERIRV 1qyaA 181 :LNALTAISK T0301 259 :RMGL 1qyaA 190 :KIGC T0301 275 :TPKIAFVAPP 1qyaA 194 :NGFFPFQIRP T0301 298 :GDIDLLVRALSMGK 1qyaA 204 :GKNETDGRMFSPAI T0301 314 :HAMMGTAAVAIGTAAAIP 1qyaA 222 :DPVTGNANGPMGAWLVHH T0301 338 :AAG 1qyaA 240 :NVL T0301 341 :GGERSAVRFGH 1qyaA 245 :DGNVLRVKGHQ T0301 352 :PSGTLRVGAEASQA 1qyaA 261 :RDGMIEVTVTIRDN T0301 370 :TVTK 1qyaA 275 :QPEK Number of specific fragments extracted= 25 number of extra gaps= 2 total=1072 Number of alignments=59 # 1qyaA read from 1qyaA/merged-good-all-a2m # found chain 1qyaA in template set Warning: unaligning (T0301)W100 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1qyaA)H74 Warning: unaligning (T0301)N106 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1qyaA)H74 Warning: unaligning (T0301)E128 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1qyaA)K102 Warning: unaligning (T0301)I131 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1qyaA)K102 Warning: unaligning (T0301)L197 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1qyaA)I154 Warning: unaligning (T0301)V198 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1qyaA)I154 Warning: unaligning (T0301)E202 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1qyaA)T159 Warning: unaligning (T0301)V203 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1qyaA)T159 T0301 17 :GTSKGVFFRLEDLP 1qyaA 18 :GNSAGVVFPADNLS T0301 37 :GEARDRLFMRV 1qyaA 32 :EAQMQLIAREL T0301 67 :STSKCVILSKSSQPGHDVDYL 1qyaA 43 :GHSETAFLLHSDDSDVRIRYF T0301 93 :IDKPFVD 1qyaA 64 :TPTVEVP T0301 107 :LSTGAGAFALH 1qyaA 75 :ATVAAHYVRAK T0301 118 :AGL 1qyaA 87 :LGL T0301 123 :P 1qyaA 98 :S T0301 132 :CEVRIWQANIGKTIIAHVP 1qyaA 103 :HRVTIEKHNDDYRISLEQG T0301 155 :QVQ 1qyaA 122 :TPG T0301 178 :FLDPSDD 1qyaA 125 :FEPPLEG T0301 187 :DGGAIFP 1qyaA 144 :TEDDILP T0301 195 :GN 1qyaA 151 :GL T0301 199 :DDL 1qyaA 155 :QVA T0301 208 :TFKATMINAGI 1qyaA 160 :GHSKVMIPLKP T0301 223 :VNAEEIGYR 1qyaA 172 :VDIDALSPD T0301 246 :LARFERIRVAG 1qyaA 181 :LNALTAISKKI T0301 273 :QHTPKIAFVAPPRDY 1qyaA 192 :GCNGFFPFQIRPGKN T0301 301 :DLLVRALSMGK 1qyaA 207 :ETDGRMFSPAI T0301 315 :AMMGTAAVAIGTAAAI 1qyaA 223 :PVTGNANGPMGAWLVH T0301 337 :LAAGGGERSAVRFG 1qyaA 239 :HNVLPHDGNVLRVK T0301 351 :H 1qyaA 255 :Q T0301 352 :PSGTLRVGAEASQA 1qyaA 261 :RDGMIEVTVTIRDN T0301 370 :TVTKA 1qyaA 275 :QPEKV Number of specific fragments extracted= 23 number of extra gaps= 2 total=1095 Number of alignments=60 # command:Warning: Couldn't open file /projects/compbio/experiments/protein-predict/casp7/T0301//projects/compbio/experiments/protein-predict/casp7/T0301/align.constraints_v3.costfcn or /projects/compbio/experiments/protein-predict/casp7/T0301//projects/compbio/experiments/protein-predict/casp7/T0301/align.constraints_v3.costfcn.gz for input Trying /projects/compbio/experiments/protein-predict/casp7/T0301/align.constraints_v3.costfcn # reading script from file /projects/compbio/experiments/protein-predict/casp7/T0301/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((T0301)V72.CB, (T0301)L107.CB) [> 3.0605 = 5.1009 < 6.6312] w=1.0000 to align # Constraint # added constraint: constraint((T0301)V223.CB, (T0301)F280.CB) [> 3.5396 = 5.8994 < 7.6692] w=0.9364 to align # Constraint # added constraint: constraint((T0301)F280.CB, (T0301)R305.CB) [> 3.4088 = 5.6814 < 7.3858] w=0.9256 to align # Constraint # added constraint: constraint((T0301)F280.CB, (T0301)V304.CB) [> 3.6510 = 6.0850 < 7.9106] w=0.9256 to align # Constraint # added constraint: constraint((T0301)A279.CB, (T0301)V304.CB) [> 3.8002 = 6.3336 < 8.2337] w=0.9256 to align # Constraint # added constraint: constraint((T0301)K277.CB, (T0301)A306.CB) [> 3.7088 = 6.1813 < 8.0358] w=0.9256 to align # Constraint # added constraint: constraint((T0301)V72.CB, (T0301)G110.CA) [> 4.3854 = 7.3090 < 9.5017] w=0.9256 to align # Constraint # added constraint: constraint((T0301)L74.CB, (T0301)A111.CB) [> 4.0124 = 6.6873 < 8.6935] w=0.9222 to align # Constraint # added constraint: constraint((T0301)V72.CB, (T0301)A111.CB) [> 3.0728 = 5.1213 < 6.6576] w=0.9222 to align # Constraint # added constraint: constraint((T0301)F349.CB, (T0301)V358.CB) [> 3.4677 = 5.7796 < 7.5134] w=0.9175 to align # Constraint # added constraint: constraint((T0301)P219.CB, (T0301)T275.CB) [> 3.2400 = 5.4000 < 7.0200] w=0.9014 to align # Constraint # added constraint: constraint((T0301)I278.CB, (T0301)A306.CB) [> 3.8056 = 6.3426 < 8.2454] w=0.9008 to align # Constraint # added constraint: constraint((T0301)A279.CB, (T0301)R305.CB) [> 3.9697 = 6.6162 < 8.6010] w=0.9008 to align # Constraint # added constraint: constraint((T0301)F23.CB, (T0301)V72.CB) [> 3.5094 = 5.8489 < 7.6036] w=0.8973 to align # Constraint # added constraint: constraint((T0301)F24.CB, (T0301)L74.CB) [> 3.5361 = 5.8934 < 7.6615] w=0.8973 to align # Constraint # added constraint: constraint((T0301)R25.CB, (T0301)L74.CB) [> 3.6774 = 6.1290 < 7.9676] w=0.8909 to align # Constraint # added constraint: constraint((T0301)R348.CB, (T0301)R357.CB) [> 3.4757 = 5.7928 < 7.5306] w=0.8892 to align # Constraint # added constraint: constraint((T0301)A321.CB, (T0301)V358.CB) [> 3.0082 = 5.0136 < 6.5177] w=0.8821 to align # Constraint # added constraint: constraint((T0301)V223.CB, (T0301)I278.CB) [> 4.0219 = 6.7032 < 8.7142] w=0.8787 to align # Constraint # added constraint: constraint((T0301)K277.CB, (T0301)L307.CB) [> 3.4857 = 5.8096 < 7.5525] w=0.8725 to align # Constraint # added constraint: constraint((T0301)S108.CB, (T0301)I145.CB) [> 3.8969 = 6.4948 < 8.4432] w=0.8699 to align # Constraint # added constraint: constraint((T0301)V223.CB, (T0301)A279.CB) [> 3.9516 = 6.5861 < 8.5619] w=0.8682 to align # Constraint # added constraint: constraint((T0301)P219.CB, (T0301)P276.CB) [> 3.2438 = 5.4063 < 7.0281] w=0.8625 to align # Constraint # added constraint: constraint((T0301)F222.CB, (T0301)A279.CB) [> 3.2149 = 5.3582 < 6.9657] w=0.8620 to align # Constraint # added constraint: constraint((T0301)V221.CB, (T0301)I278.CB) [> 3.3262 = 5.5436 < 7.2067] w=0.8620 to align # Constraint # added constraint: constraint((T0301)T220.CB, (T0301)K277.CB) [> 3.4883 = 5.8139 < 7.5581] w=0.8620 to align # Constraint # added constraint: constraint((T0301)F44.CB, (T0301)C71.CB) [> 3.2105 = 5.3509 < 6.9562] w=0.8513 to align # Constraint # added constraint: constraint((T0301)K70.CB, (T0301)L107.CB) [> 2.9724 = 4.9539 < 6.4401] w=0.8481 to align # Constraint # added constraint: constraint((T0301)V304.CB, (T0301)G350.CA) [> 3.7884 = 6.3139 < 8.2081] w=0.8478 to align # Constraint # added constraint: constraint((T0301)V22.CB, (T0301)V72.CB) [> 3.6347 = 6.0579 < 7.8753] w=0.8477 to align # Constraint # added constraint: constraint((T0301)R348.CB, (T0301)V358.CB) [> 4.5130 = 7.5216 < 9.7781] w=0.8440 to align # Constraint # added constraint: constraint((T0301)V281.CB, (T0301)L302.CB) [> 3.5396 = 5.8993 < 7.6691] w=0.8352 to align # Constraint # added constraint: constraint((T0301)G105.CA, (T0301)G318.CA) [> 2.9098 = 4.8498 < 6.3047] w=0.8328 to align # Constraint # added constraint: constraint((T0301)A216.CB, (T0301)V322.CB) [> 3.1263 = 5.2105 < 6.7737] w=0.8328 to align # Constraint # added constraint: constraint((T0301)F222.CB, (T0301)A323.CB) [> 3.7669 = 6.2782 < 8.1616] w=0.8328 to align # Constraint # added constraint: constraint((T0301)F222.CB, (T0301)A327.CB) [> 3.5742 = 5.9570 < 7.7442] w=0.8328 to align # Constraint # added constraint: constraint((T0301)V347.CB, (T0301)V358.CB) [> 2.8444 = 4.7406 < 6.1628] w=0.8272 to align # Constraint # added constraint: constraint((T0301)F23.CB, (T0301)L74.CB) [> 4.0580 = 6.7634 < 8.7923] w=0.8232 to align # Constraint # added constraint: constraint((T0301)C132.CB, (T0301)V149.CB) [> 3.6733 = 6.1222 < 7.9588] w=0.8201 to align # Constraint # added constraint: constraint((T0301)V304.CB, (T0301)F349.CB) [> 3.2816 = 5.4694 < 7.1102] w=0.8156 to align # Constraint # added constraint: constraint((T0301)C132.CB, (T0301)H148.CB) [> 4.3696 = 7.2826 < 9.4674] w=0.8147 to align # Constraint # added constraint: constraint((T0301)A225.CB, (T0301)F280.CB) [> 3.4581 = 5.7634 < 7.4924] w=0.8147 to align # Constraint # added constraint: constraint((T0301)F222.CB, (T0301)V281.CB) [> 3.6675 = 6.1125 < 7.9463] w=0.8138 to align # Constraint # added constraint: constraint((T0301)V223.CB, (T0301)V281.CB) [> 4.1615 = 6.9359 < 9.0166] w=0.8132 to align # Constraint # added constraint: constraint((T0301)V281.CB, (T0301)L303.CB) [> 3.7829 = 6.3049 < 8.1963] w=0.8132 to align # Constraint # added constraint: constraint((T0301)I324.CB, (T0301)F349.CB) [> 3.9800 = 6.6333 < 8.6233] w=0.8087 to align # Constraint # added constraint: constraint((T0301)V221.CB, (T0301)K277.CB) [> 4.0814 = 6.8024 < 8.8431] w=0.8042 to align # Constraint # added constraint: constraint((T0301)V134.CB, (T0301)A147.CB) [> 3.5318 = 5.8864 < 7.6523] w=0.8042 to align # Constraint # added constraint: constraint((T0301)N224.CB, (T0301)V281.CB) [> 3.6361 = 6.0601 < 7.8782] w=0.8000 to align # Constraint # added constraint: constraint((T0301)G21.CA, (T0301)V72.CB) [> 3.8730 = 6.4551 < 8.3916] w=0.7984 to align # Constraint # added constraint: constraint((T0301)I324.CB, (T0301)V347.CB) [> 3.8126 = 6.3544 < 8.2607] w=0.7982 to align # Constraint # added constraint: constraint((T0301)K277.CB, (T0301)S308.CB) [> 3.1056 = 5.1759 < 6.7287] w=0.7981 to align # Constraint # added constraint: constraint((T0301)A225.CB, (T0301)V281.CB) [> 3.7158 = 6.1930 < 8.0509] w=0.7901 to align # Constraint # added constraint: constraint((T0301)T220.CB, (T0301)I278.CB) [> 3.9952 = 6.6588 < 8.6564] w=0.7875 to align # Constraint # added constraint: constraint((T0301)L26.CB, (T0301)L74.CB) [> 3.3910 = 5.6517 < 7.3472] w=0.7839 to align # Constraint # added constraint: constraint((T0301)S108.CB, (T0301)A147.CB) [> 4.0123 = 6.6872 < 8.6933] w=0.7833 to align # Constraint # added constraint: constraint((T0301)V304.CB, (T0301)A320.CB) [> 3.9399 = 6.5665 < 8.5364] w=0.7829 to align # Constraint # added constraint: constraint((T0301)V72.CB, (T0301)G89.CA) [> 4.0046 = 6.6744 < 8.6767] w=0.7780 to align # Constraint # added constraint: constraint((T0301)F44.CB, (T0301)D94.CB) [> 3.8180 = 6.3634 < 8.2724] w=0.7778 to align # Constraint # added constraint: constraint((T0301)V347.CB, (T0301)R357.CB) [> 4.4198 = 7.3664 < 9.5763] w=0.7743 to align # Constraint # added constraint: constraint((T0301)A346.CB, (T0301)R357.CB) [> 3.9109 = 6.5181 < 8.4736] w=0.7743 to align # Constraint # added constraint: constraint((T0301)F23.CB, (T0301)C71.CB) [> 4.1801 = 6.9669 < 9.0570] w=0.7733 to align # Constraint # added constraint: constraint((T0301)V22.CB, (T0301)C71.CB) [> 3.4457 = 5.7428 < 7.4657] w=0.7733 to align # Constraint # added constraint: constraint((T0301)P219.CB, (T0301)K277.CB) [> 4.1176 = 6.8626 < 8.9214] w=0.7635 to align # Constraint # added constraint: constraint((T0301)T220.CB, (T0301)A323.CB) [> 3.4753 = 5.7921 < 7.5297] w=0.7584 to align # Constraint # added constraint: constraint((T0301)K70.CB, (T0301)N106.CB) [> 4.1926 = 6.9877 < 9.0840] w=0.7527 to align # Constraint # added constraint: constraint((T0301)K20.CB, (T0301)S69.CB) [> 3.8457 = 6.4095 < 8.3323] w=0.7496 to align # Constraint # added constraint: constraint((T0301)A346.CB, (T0301)V358.CB) [> 4.3133 = 7.1888 < 9.3454] w=0.7494 to align # Constraint # added constraint: constraint((T0301)L302.CB, (T0301)V347.CB) [> 3.6340 = 6.0567 < 7.8737] w=0.7494 to align # Constraint # added constraint: constraint((T0301)I278.CB, (T0301)L307.CB) [> 3.2232 = 5.3720 < 6.9837] w=0.7492 to align # Constraint # added constraint: constraint((T0301)G21.CA, (T0301)K70.CB) [> 3.6317 = 6.0528 < 7.8686] w=0.7489 to align # Constraint # added constraint: constraint((T0301)R135.CB, (T0301)T144.CB) [> 3.2359 = 5.3931 < 7.0111] w=0.7438 to align # Constraint # added constraint: constraint((T0301)N106.CB, (T0301)M317.CB) [> 3.9295 = 6.5491 < 8.5139] w=0.7416 to align # Constraint # added constraint: constraint((T0301)I214.CB, (T0301)T326.CB) [> 3.6617 = 6.1029 < 7.9338] w=0.7413 to align # Constraint # added constraint: constraint((T0301)D301.CB, (T0301)R348.CB) [> 3.1534 = 5.2556 < 6.8323] w=0.7405 to align # Constraint # added constraint: constraint((T0301)E133.CB, (T0301)I146.CB) [> 3.4689 = 5.7815 < 7.5160] w=0.7385 to align # Constraint # added constraint: constraint((T0301)A111.CB, (T0301)V134.CB) [> 4.1231 = 6.8718 < 8.9333] w=0.7280 to align # Constraint # added constraint: constraint((T0301)G21.CA, (T0301)C71.CB) [> 3.5080 = 5.8467 < 7.6007] w=0.7241 to align # Constraint # added constraint: constraint((T0301)S108.CB, (T0301)V134.CB) [> 4.1863 = 6.9771 < 9.0703] w=0.7223 to align # Constraint # added constraint: constraint((T0301)A328.CB, (T0301)V347.CB) [> 4.1793 = 6.9655 < 9.0552] w=0.7215 to align # Constraint # added constraint: constraint((T0301)V347.CB, (T0301)G359.CA) [> 3.7661 = 6.2769 < 8.1600] w=0.7190 to align # Constraint # added constraint: constraint((T0301)E133.CB, (T0301)A147.CB) [> 4.4270 = 7.3784 < 9.5919] w=0.7168 to align # Constraint # added constraint: constraint((T0301)T212.CB, (T0301)F222.CB) [> 3.2497 = 5.4162 < 7.0411] w=0.7127 to align # Constraint # added constraint: constraint((T0301)A211.CB, (T0301)V223.CB) [> 3.0302 = 5.0503 < 6.5654] w=0.7127 to align # Constraint # added constraint: constraint((T0301)A211.CB, (T0301)F222.CB) [> 3.8007 = 6.3345 < 8.2348] w=0.7127 to align # Constraint # added constraint: constraint((T0301)R135.CB, (T0301)I145.CB) [> 4.5507 = 7.5845 < 9.8598] w=0.7108 to align # Constraint # added constraint: constraint((T0301)A306.CB, (T0301)A320.CB) [> 3.4855 = 5.8091 < 7.5519] w=0.7078 to align # Constraint # added constraint: constraint((T0301)S75.CB, (T0301)L87.CB) [> 3.9740 = 6.6234 < 8.6104] w=0.7037 to align # Constraint # added constraint: constraint((T0301)L43.CB, (T0301)C71.CB) [> 3.9025 = 6.5042 < 8.4555] w=0.7035 to align # Constraint # added constraint: constraint((T0301)A279.CB, (T0301)A306.CB) [> 3.1631 = 5.2719 < 6.8534] w=0.7027 to align # Constraint # added constraint: constraint((T0301)L302.CB, (T0301)I324.CB) [> 4.2558 = 7.0930 < 9.2208] w=0.7004 to align # Constraint # added constraint: constraint((T0301)L303.CB, (T0301)F349.CB) [> 4.5155 = 7.5258 < 9.7835] w=0.7001 to align # Constraint # added constraint: constraint((T0301)D301.CB, (T0301)V347.CB) [> 4.0458 = 6.7431 < 8.7660] w=0.6999 to align # Constraint # added constraint: constraint((T0301)F23.CB, (T0301)I73.CB) [> 3.7879 = 6.3132 < 8.2072] w=0.6992 to align # Constraint # added constraint: constraint((T0301)A282.CB, (T0301)L302.CB) [> 3.6164 = 6.0273 < 7.8355] w=0.6955 to align # Constraint # added constraint: constraint((T0301)L302.CB, (T0301)R348.CB) [> 4.3126 = 7.1877 < 9.3440] w=0.6917 to align # Constraint # added constraint: constraint((T0301)D83.CB, (T0301)V134.CB) [> 3.6283 = 6.0472 < 7.8614] w=0.6916 to align # Constraint # added constraint: constraint((T0301)M213.CB, (T0301)F222.CB) [> 4.6617 = 7.7695 < 10.1004] w=0.6914 to align # Constraint # added constraint: constraint((T0301)G325.CA, (T0301)A360.CB) [> 3.4722 = 5.7870 < 7.5230] w=0.6907 to align # Constraint # added constraint: constraint((T0301)G112.CA, (T0301)A147.CB) [> 3.3970 = 5.6617 < 7.3602] w=0.6901 to align # Constraint # added constraint: constraint((T0301)V221.CB, (T0301)A279.CB) [> 3.9850 = 6.6417 < 8.6343] w=0.6891 to align # Constraint # added constraint: constraint((T0301)T220.CB, (T0301)A279.CB) [> 3.3342 = 5.5570 < 7.2241] w=0.6891 to align # Constraint # added constraint: constraint((T0301)G112.CA, (T0301)V149.CB) [> 4.1337 = 6.8896 < 8.9564] w=0.6847 to align # Constraint # added constraint: constraint((T0301)T220.CB, (T0301)T319.CB) [> 4.0686 = 6.7810 < 8.8152] w=0.6840 to align # Constraint # added constraint: constraint((T0301)I131.CB, (T0301)H148.CB) [> 3.4159 = 5.6932 < 7.4012] w=0.6806 to align # Constraint # added constraint: constraint((T0301)I218.CB, (T0301)K277.CB) [> 3.8588 = 6.4314 < 8.3608] w=0.6786 to align # Constraint # added constraint: constraint((T0301)P219.CB, (T0301)H274.CB) [> 3.6861 = 6.1434 < 7.9865] w=0.6774 to align # Constraint # added constraint: constraint((T0301)L303.CB, (T0301)G350.CA) [> 3.3562 = 5.5936 < 7.2717] w=0.6760 to align # Constraint # added constraint: constraint((T0301)F24.CB, (T0301)I73.CB) [> 3.4791 = 5.7985 < 7.5380] w=0.6756 to align # Constraint # added constraint: constraint((T0301)V347.CB, (T0301)A360.CB) [> 3.7318 = 6.2196 < 8.0855] w=0.6740 to align # Constraint # added constraint: constraint((T0301)V134.CB, (T0301)I145.CB) [> 3.2605 = 5.4342 < 7.0645] w=0.6729 to align # Constraint # added constraint: constraint((T0301)Y86.CB, (T0301)L107.CB) [> 4.2756 = 7.1261 < 9.2639] w=0.6675 to align # Constraint # added constraint: constraint((T0301)S75.CB, (T0301)D85.CB) [> 2.7348 = 4.5581 < 5.9255] w=0.6675 to align # Constraint # added constraint: constraint((T0301)S75.CB, (T0301)V84.CB) [> 4.3168 = 7.1947 < 9.3531] w=0.6675 to align # Constraint # added constraint: constraint((T0301)L74.CB, (T0301)V84.CB) [> 3.4943 = 5.8239 < 7.5710] w=0.6675 to align # Constraint # added constraint: constraint((T0301)I73.CB, (T0301)L87.CB) [> 3.2049 = 5.3414 < 6.9439] w=0.6675 to align # Constraint # added constraint: constraint((T0301)I73.CB, (T0301)Y86.CB) [> 4.1935 = 6.9891 < 9.0858] w=0.6675 to align # Constraint # added constraint: constraint((T0301)V72.CB, (T0301)Y86.CB) [> 3.4120 = 5.6867 < 7.3927] w=0.6675 to align # Constraint # added constraint: constraint((T0301)S77.CB, (T0301)R135.CB) [> 3.5093 = 5.8488 < 7.6035] w=0.6667 to align # Constraint # added constraint: constraint((T0301)N106.CB, (T0301)G318.CA) [> 3.4733 = 5.7888 < 7.5255] w=0.6662 to align # Constraint # added constraint: constraint((T0301)A346.CB, (T0301)G359.CA) [> 3.4187 = 5.6979 < 7.4073] w=0.6659 to align # Constraint # added constraint: constraint((T0301)I136.CB, (T0301)I145.CB) [> 3.4588 = 5.7646 < 7.4940] w=0.6610 to align # Constraint # added constraint: constraint((T0301)T220.CB, (T0301)P276.CB) [> 3.7419 = 6.2365 < 8.1074] w=0.6571 to align # Constraint # added constraint: constraint((T0301)F280.CB, (T0301)A306.CB) [> 4.4834 = 7.4724 < 9.7141] w=0.6538 to align # Constraint # added constraint: constraint((T0301)V47.CB, (T0301)C71.CB) [> 3.2454 = 5.4090 < 7.0318] w=0.6528 to align # Constraint # added constraint: constraint((T0301)G21.CA, (T0301)L107.CB) [> 3.8595 = 6.4325 < 8.3622] w=0.6510 to align # Constraint # added constraint: constraint((T0301)L74.CB, (T0301)A115.CB) [> 3.8638 = 6.4396 < 8.3715] w=0.6505 to align # Constraint # added constraint: constraint((T0301)K70.CB, (T0301)I93.CB) [> 3.7427 = 6.2378 < 8.1091] w=0.6497 to align # Constraint # added constraint: constraint((T0301)S69.CB, (T0301)I93.CB) [> 4.0907 = 6.8179 < 8.8633] w=0.6497 to align # Constraint # added constraint: constraint((T0301)V281.CB, (T0301)V304.CB) [> 3.1409 = 5.2349 < 6.8054] w=0.6458 to align # Constraint # added constraint: constraint((T0301)F222.CB, (T0301)I324.CB) [> 3.7665 = 6.2775 < 8.1607] w=0.6449 to align # Constraint # added constraint: constraint((T0301)A216.CB, (T0301)A323.CB) [> 2.8216 = 4.7027 < 6.1135] w=0.6449 to align # Constraint # added constraint: constraint((T0301)I131.CB, (T0301)V149.CB) [> 4.2023 = 7.0038 < 9.1050] w=0.6448 to align # Constraint # added constraint: constraint((T0301)M316.CB, (T0301)H351.CB) [> 3.4570 = 5.7617 < 7.4902] w=0.6431 to align # Constraint # added constraint: constraint((T0301)V304.CB, (T0301)H351.CB) [> 3.2271 = 5.3784 < 6.9919] w=0.6431 to align # Constraint # added constraint: constraint((T0301)L302.CB, (T0301)G350.CA) [> 3.9604 = 6.6006 < 8.5808] w=0.6431 to align # Constraint # added constraint: constraint((T0301)L302.CB, (T0301)F349.CB) [> 3.3142 = 5.5236 < 7.1807] w=0.6431 to align # Constraint # added constraint: constraint((T0301)G17.CA, (T0301)A315.CB) [> 2.9931 = 4.9885 < 6.4851] w=0.6426 to align # Constraint # added constraint: constraint((T0301)C104.CB, (T0301)T319.CB) [> 3.7861 = 6.3101 < 8.2031] w=0.6422 to align # Constraint # added constraint: constraint((T0301)A211.CB, (T0301)V221.CB) [> 3.4259 = 5.7098 < 7.4227] w=0.6383 to align # Constraint # added constraint: constraint((T0301)L26.CB, (T0301)I73.CB) [> 2.5016 = 4.1694 < 5.4202] w=0.6361 to align # Constraint # added constraint: constraint((T0301)H82.CB, (T0301)E133.CB) [> 2.9776 = 4.9626 < 6.4514] w=0.6344 to align # Constraint # added constraint: constraint((T0301)G81.CA, (T0301)E133.CB) [> 3.5329 = 5.8881 < 7.6545] w=0.6344 to align # Constraint # added constraint: constraint((T0301)T212.CB, (T0301)V221.CB) [> 4.3383 = 7.2305 < 9.3997] w=0.6328 to align # Constraint # added constraint: constraint((T0301)G112.CA, (T0301)C132.CB) [> 3.7192 = 6.1987 < 8.0583] w=0.6304 to align # Constraint # added constraint: constraint((T0301)R40.CB, (T0301)C71.CB) [> 4.1890 = 6.9817 < 9.0762] w=0.6299 to align # Constraint # added constraint: constraint((T0301)F44.CB, (T0301)T68.CB) [> 4.4116 = 7.3527 < 9.5585] w=0.6290 to align # Constraint # added constraint: constraint((T0301)G16.CA, (T0301)G110.CA) [> 3.7414 = 6.2356 < 8.1063] w=0.6266 to align # Constraint # added constraint: constraint((T0301)G16.CA, (T0301)T109.CB) [> 3.7132 = 6.1887 < 8.0453] w=0.6266 to align # Constraint # added constraint: constraint((T0301)S19.CB, (T0301)S69.CB) [> 3.8025 = 6.3375 < 8.2387] w=0.6263 to align # Constraint # added constraint: constraint((T0301)K20.CB, (T0301)T68.CB) [> 3.6032 = 6.0053 < 7.8068] w=0.6255 to align # Constraint # added constraint: constraint((T0301)M316.CB, (T0301)L356.CB) [> 3.0998 = 5.1663 < 6.7162] w=0.6248 to align # Constraint # added constraint: constraint((T0301)G325.CA, (T0301)V358.CB) [> 3.7962 = 6.3271 < 8.2252] w=0.6182 to align # Constraint # added constraint: constraint((T0301)T18.CB, (T0301)A315.CB) [> 3.0913 = 5.1522 < 6.6979] w=0.6177 to align # Constraint # added constraint: constraint((T0301)H82.CB, (T0301)V134.CB) [> 3.9185 = 6.5308 < 8.4901] w=0.6167 to align # Constraint # added constraint: constraint((T0301)A216.CB, (T0301)T319.CB) [> 3.3422 = 5.5704 < 7.2415] w=0.6095 to align # Constraint # added constraint: constraint((T0301)G105.CA, (T0301)T319.CB) [> 3.2371 = 5.3951 < 7.0137] w=0.6095 to align # Constraint # added constraint: constraint((T0301)V304.CB, (T0301)I324.CB) [> 4.2095 = 7.0159 < 9.1207] w=0.6086 to align # Constraint # added constraint: constraint((T0301)A115.CB, (T0301)C132.CB) [> 4.0577 = 6.7628 < 8.7916] w=0.6056 to align # Constraint # added constraint: constraint((T0301)G130.CA, (T0301)V151.CB) [> 3.6535 = 6.0891 < 7.9158] w=0.6044 to align # Constraint # added constraint: constraint((T0301)F44.CB, (T0301)I93.CB) [> 3.3816 = 5.6360 < 7.3267] w=0.6008 to align # Constraint # added constraint: constraint((T0301)A315.CB, (T0301)H351.CB) [> 3.2916 = 5.4860 < 7.1318] w=0.5935 to align # Constraint # added constraint: constraint((T0301)C104.CB, (T0301)G318.CA) [> 4.1118 = 6.8531 < 8.9090] w=0.5933 to align # Constraint # added constraint: constraint((T0301)N106.CB, (T0301)M316.CB) [> 3.5952 = 5.9920 < 7.7897] w=0.5929 to align # Constraint # added constraint: constraint((T0301)T212.CB, (T0301)A327.CB) [> 3.7800 = 6.3000 < 8.1899] w=0.5924 to align # Constraint # added constraint: constraint((T0301)G325.CA, (T0301)V347.CB) [> 3.5623 = 5.9371 < 7.7183] w=0.5923 to align # Constraint # added constraint: constraint((T0301)Q79.CB, (T0301)R135.CB) [> 3.8220 = 6.3699 < 8.2809] w=0.5922 to align # Constraint # added constraint: constraint((T0301)F222.CB, (T0301)F280.CB) [> 4.3828 = 7.3047 < 9.4961] w=0.5876 to align # Constraint # added constraint: constraint((T0301)G112.CA, (T0301)V134.CB) [> 3.9186 = 6.5311 < 8.4904] w=0.5872 to align # Constraint # added constraint: constraint((T0301)C132.CB, (T0301)I146.CB) [> 4.3189 = 7.1982 < 9.3577] w=0.5869 to align # Constraint # added constraint: constraint((T0301)L26.CB, (T0301)S75.CB) [> 3.0892 = 5.1487 < 6.6933] w=0.5865 to align # Constraint # added constraint: constraint((T0301)A279.CB, (T0301)A323.CB) [> 3.7121 = 6.1868 < 8.0429] w=0.5858 to align # Constraint # added constraint: constraint((T0301)S67.CB, (T0301)D94.CB) [> 3.2359 = 5.3932 < 7.0112] w=0.5857 to align # Constraint # added constraint: constraint((T0301)A321.CB, (T0301)F349.CB) [> 2.9251 = 4.8752 < 6.3378] w=0.5854 to align # Constraint # added constraint: constraint((T0301)V134.CB, (T0301)I146.CB) [> 4.4529 = 7.4215 < 9.6479] w=0.5821 to align # Constraint # added constraint: constraint((T0301)C132.CB, (T0301)A147.CB) [> 3.0155 = 5.0257 < 6.5335] w=0.5799 to align # Constraint # added constraint: constraint((T0301)Y13.CB, (T0301)V22.CB) [> 3.7206 = 6.2010 < 8.0614] w=0.5770 to align # Constraint # added constraint: constraint((T0301)K76.CB, (T0301)D85.CB) [> 3.7864 = 6.3106 < 8.2038] w=0.5767 to align # Constraint # added constraint: constraint((T0301)L201.CB, (T0301)K210.CB) [> 4.2483 = 7.0804 < 9.2046] w=0.5766 to align # Constraint # added constraint: constraint((T0301)T220.CB, (T0301)A320.CB) [> 3.1440 = 5.2400 < 6.8120] w=0.5705 to align # Constraint # added constraint: constraint((T0301)L29.CB, (T0301)L43.CB) [> 4.2970 = 7.1617 < 9.3102] w=0.5703 to align # Constraint # added constraint: constraint((T0301)V84.CB, (T0301)A111.CB) [> 4.1660 = 6.9434 < 9.0264] w=0.5684 to align # Constraint # added constraint: constraint((T0301)S19.CB, (T0301)A315.CB) [> 3.5839 = 5.9732 < 7.7652] w=0.5683 to align # Constraint # added constraint: constraint((T0301)L116.CB, (T0301)V149.CB) [> 3.0965 = 5.1607 < 6.7090] w=0.5683 to align # Constraint # added constraint: constraint((T0301)R305.CB, (T0301)P352.CB) [> 3.8467 = 6.4112 < 8.3346] w=0.5679 to align # Constraint # added constraint: constraint((T0301)D83.CB, (T0301)E133.CB) [> 3.6970 = 6.1616 < 8.0101] w=0.5678 to align # Constraint # added constraint: constraint((T0301)I218.CB, (T0301)P276.CB) [> 3.8085 = 6.3474 < 8.2517] w=0.5648 to align # Constraint # added constraint: constraint((T0301)F249.CB, (T0301)L307.CB) [> 3.6854 = 6.1423 < 7.9849] w=0.5630 to align # Constraint # added constraint: constraint((T0301)I131.CB, (T0301)I146.CB) [> 3.7625 = 6.2708 < 8.1520] w=0.5621 to align # Constraint # added constraint: constraint((T0301)V134.CB, (T0301)T144.CB) [> 4.1255 = 6.8759 < 8.9387] w=0.5619 to align # Constraint # added constraint: constraint((T0301)E133.CB, (T0301)I145.CB) [> 4.4023 = 7.3371 < 9.5383] w=0.5619 to align # Constraint # added constraint: constraint((T0301)E133.CB, (T0301)T144.CB) [> 3.4384 = 5.7306 < 7.4498] w=0.5619 to align # Constraint # added constraint: constraint((T0301)R40.CB, (T0301)Q90.CB) [> 4.1033 = 6.8389 < 8.8906] w=0.5558 to align # Constraint # added constraint: constraint((T0301)V47.CB, (T0301)T68.CB) [> 3.0393 = 5.0655 < 6.5851] w=0.5545 to align # Constraint # added constraint: constraint((T0301)M45.CB, (T0301)D94.CB) [> 2.9884 = 4.9807 < 6.4750] w=0.5545 to align # Constraint # added constraint: constraint((T0301)R40.CB, (T0301)I73.CB) [> 3.1957 = 5.3263 < 6.9241] w=0.5545 to align # Constraint # added constraint: constraint((T0301)I214.CB, (T0301)A327.CB) [> 3.6458 = 6.0763 < 7.8992] w=0.5534 to align # Constraint # added constraint: constraint((T0301)R305.CB, (T0301)H351.CB) [> 4.2057 = 7.0095 < 9.1123] w=0.5530 to align # Constraint # added constraint: constraint((T0301)L14.CB, (T0301)A113.CB) [> 3.6672 = 6.1120 < 7.9456] w=0.5522 to align # Constraint # added constraint: constraint((T0301)L14.CB, (T0301)G110.CA) [> 2.8851 = 4.8085 < 6.2511] w=0.5522 to align # Constraint # added constraint: constraint((T0301)F24.CB, (T0301)V72.CB) [> 4.0868 = 6.8113 < 8.8548] w=0.5519 to align # Constraint # added constraint: constraint((T0301)F24.CB, (T0301)C71.CB) [> 4.1438 = 6.9064 < 8.9783] w=0.5519 to align # Constraint # added constraint: constraint((T0301)K70.CB, (T0301)C104.CB) [> 3.6619 = 6.1032 < 7.9342] w=0.5515 to align # Constraint # added constraint: constraint((T0301)T68.CB, (T0301)D94.CB) [> 4.6137 = 7.6895 < 9.9964] w=0.5504 to align # Constraint # added constraint: constraint((T0301)A306.CB, (T0301)M317.CB) [> 2.5688 = 4.2813 < 5.5657] w=0.5493 to align # Constraint # added constraint: constraint((T0301)I324.CB, (T0301)V358.CB) [> 3.6200 = 6.0333 < 7.8433] w=0.5438 to align # Constraint # added constraint: constraint((T0301)V84.CB, (T0301)V134.CB) [> 3.3434 = 5.5724 < 7.2441] w=0.5438 to align # Constraint # added constraint: constraint((T0301)L303.CB, (T0301)H351.CB) [> 4.3392 = 7.2321 < 9.4017] w=0.5428 to align # Constraint # added constraint: constraint((T0301)A282.CB, (T0301)L303.CB) [> 3.1517 = 5.2528 < 6.8287] w=0.5408 to align # Constraint # added constraint: constraint((T0301)G105.CA, (T0301)M317.CB) [> 3.6735 = 6.1224 < 7.9592] w=0.5369 to align # Constraint # added constraint: constraint((T0301)V47.CB, (T0301)S67.CB) [> 3.3685 = 5.6142 < 7.2985] w=0.5368 to align # Constraint # added constraint: constraint((T0301)R46.CB, (T0301)S67.CB) [> 4.2213 = 7.0356 < 9.1462] w=0.5368 to align # Constraint # added constraint: constraint((T0301)M45.CB, (T0301)S67.CB) [> 4.0876 = 6.8127 < 8.8566] w=0.5368 to align # Constraint # added constraint: constraint((T0301)A321.CB, (T0301)V347.CB) [> 4.1128 = 6.8547 < 8.9111] w=0.5354 to align # Constraint # added constraint: constraint((T0301)I218.CB, (T0301)T319.CB) [> 2.7804 = 4.6340 < 6.0242] w=0.5351 to align # Constraint # added constraint: constraint((T0301)G217.CA, (T0301)T319.CB) [> 3.7019 = 6.1698 < 8.0208] w=0.5351 to align # Constraint # added constraint: constraint((T0301)N224.CB, (T0301)A282.CB) [> 4.1520 = 6.9200 < 8.9960] w=0.5274 to align # Constraint # added constraint: constraint((T0301)T12.CB, (T0301)F114.CB) [> 3.2004 = 5.3340 < 6.9341] w=0.5274 to align # Constraint # added constraint: constraint((T0301)L14.CB, (T0301)F114.CB) [> 3.5657 = 5.9428 < 7.7257] w=0.5274 to align # Constraint # added constraint: constraint((T0301)S19.CB, (T0301)N106.CB) [> 3.1893 = 5.3155 < 6.9101] w=0.5274 to align # Constraint # added constraint: constraint((T0301)A11.CB, (T0301)F24.CB) [> 3.2744 = 5.4574 < 7.0946] w=0.5274 to align # Constraint # added constraint: constraint((T0301)E361.CB, (T0301)T372.CB) [> 3.4707 = 5.7846 < 7.5199] w=0.5264 to align # Constraint # added constraint: constraint((T0301)G21.CA, (T0301)T68.CB) [> 3.1884 = 5.3140 < 6.9082] w=0.5263 to align # Constraint # added constraint: constraint((T0301)S345.CB, (T0301)G359.CA) [> 3.9409 = 6.5681 < 8.5385] w=0.5263 to align # Constraint # added constraint: constraint((T0301)R344.CB, (T0301)G359.CA) [> 3.9833 = 6.6389 < 8.6306] w=0.5263 to align # Constraint # added constraint: constraint((T0301)P276.CB, (T0301)S308.CB) [> 3.2004 = 5.3339 < 6.9341] w=0.5258 to align # Constraint # added constraint: constraint((T0301)A279.CB, (T0301)I324.CB) [> 4.1396 = 6.8993 < 8.9691] w=0.5223 to align # Constraint # added constraint: constraint((T0301)D200.CB, (T0301)K210.CB) [> 3.2162 = 5.3604 < 6.9685] w=0.5196 to align # Constraint # added constraint: constraint((T0301)H82.CB, (T0301)R135.CB) [> 3.0682 = 5.1138 < 6.6479] w=0.5193 to align # Constraint # added constraint: constraint((T0301)N106.CB, (T0301)A315.CB) [> 3.7959 = 6.3265 < 8.2245] w=0.5192 to align # Constraint # added constraint: constraint((T0301)E361.CB, (T0301)V371.CB) [> 4.4672 = 7.4454 < 9.6790] w=0.5191 to align # Constraint # added constraint: constraint((T0301)F249.CB, (T0301)I278.CB) [> 2.7810 = 4.6349 < 6.0254] w=0.5190 to align # Constraint # added constraint: constraint((T0301)Y86.CB, (T0301)A111.CB) [> 3.3275 = 5.5459 < 7.2097] w=0.5190 to align # Constraint # added constraint: constraint((T0301)L74.CB, (T0301)Y86.CB) [> 3.5255 = 5.8758 < 7.6386] w=0.5190 to align # Constraint # added constraint: constraint((T0301)L74.CB, (T0301)D85.CB) [> 4.2979 = 7.1631 < 9.3120] w=0.5190 to align # Constraint # added constraint: constraint((T0301)V72.CB, (T0301)L87.CB) [> 4.0612 = 6.7686 < 8.7992] w=0.5190 to align # Constraint # added constraint: constraint((T0301)S345.CB, (T0301)E361.CB) [> 4.1486 = 6.9144 < 8.9887] w=0.5189 to align # Constraint # added constraint: constraint((T0301)P283.CB, (T0301)D301.CB) [> 3.6232 = 6.0386 < 7.8502] w=0.5185 to align # Constraint # added constraint: constraint((T0301)I214.CB, (T0301)A323.CB) [> 2.3184 = 3.8639 < 5.0231] w=0.5180 to align # Constraint # added constraint: constraint((T0301)R344.CB, (T0301)E361.CB) [> 3.5249 = 5.8749 < 7.6374] w=0.5173 to align # Constraint # added constraint: constraint((T0301)G112.CA, (T0301)V156.CB) [> 4.2898 = 7.1497 < 9.2946] w=0.5156 to align # Constraint # added constraint: constraint((T0301)G17.CA, (T0301)S353.CB) [> 3.2963 = 5.4939 < 7.1421] w=0.5084 to align # Constraint # added constraint: constraint((T0301)G17.CA, (T0301)G354.CA) [> 3.0851 = 5.1418 < 6.6844] w=0.5081 to align # Constraint # added constraint: constraint((T0301)K70.CB, (T0301)V98.CB) [> 4.1498 = 6.9164 < 8.9913] w=0.5046 to align # Constraint # added constraint: constraint((T0301)P283.CB, (T0301)L302.CB) [> 3.4223 = 5.7038 < 7.4150] w=0.5042 to align # Constraint # added constraint: constraint((T0301)P10.CB, (T0301)R25.CB) [> 4.0293 = 6.7155 < 8.7301] w=0.5033 to align # Constraint # added constraint: constraint((T0301)P10.CB, (T0301)F24.CB) [> 4.1621 = 6.9369 < 9.0180] w=0.5029 to align # Constraint # added constraint: constraint((T0301)V22.CB, (T0301)K70.CB) [> 4.3124 = 7.1873 < 9.3435] w=0.5026 to align # Constraint # added constraint: constraint((T0301)A11.CB, (T0301)F23.CB) [> 3.6371 = 6.0618 < 7.8803] w=0.5026 to align # Constraint # added constraint: constraint((T0301)G21.CA, (T0301)G110.CA) [> 4.1174 = 6.8623 < 8.9210] w=0.5023 to align # Constraint # added constraint: constraint((T0301)V72.CB, (T0301)S108.CB) [> 4.4573 = 7.4288 < 9.6574] w=0.5013 to align # Constraint # added constraint: constraint((T0301)D199.CB, (T0301)M213.CB) [> 3.6229 = 6.0382 < 7.8497] w=0.4987 to align # Constraint # added constraint: constraint((T0301)L201.CB, (T0301)A211.CB) [> 3.6099 = 6.0165 < 7.8215] w=0.4987 to align # Constraint # added constraint: constraint((T0301)D199.CB, (T0301)T212.CB) [> 4.1959 = 6.9932 < 9.0911] w=0.4987 to align # Constraint # added constraint: constraint((T0301)A328.CB, (T0301)S345.CB) [> 4.0465 = 6.7441 < 8.7674] w=0.4976 to align # Constraint # added constraint: constraint((T0301)F178.CB, (T0301)A216.CB) [> 3.7194 = 6.1990 < 8.0587] w=0.4957 to align # Constraint # added constraint: constraint((T0301)A315.CB, (T0301)P352.CB) [> 3.1991 = 5.3319 < 6.9314] w=0.4953 to align # Constraint # added constraint: constraint((T0301)V149.CB, (T0301)E158.CB) [> 4.1415 = 6.9025 < 8.9733] w=0.4950 to align # Constraint # added constraint: constraint((T0301)V72.CB, (T0301)Y88.CB) [> 3.2603 = 5.4338 < 7.0640] w=0.4945 to align # Constraint # added constraint: constraint((T0301)Y88.CB, (T0301)L107.CB) [> 3.1658 = 5.2763 < 6.8592] w=0.4945 to align # Constraint # added constraint: constraint((T0301)T18.CB, (T0301)H314.CB) [> 2.8299 = 4.7166 < 6.1315] w=0.4944 to align # Constraint # added constraint: constraint((T0301)K20.CB, (T0301)K70.CB) [> 3.4189 = 5.6981 < 7.4075] w=0.4941 to align # Constraint # added constraint: constraint((T0301)W100.CB, (T0301)I141.CB) [> 4.1524 = 6.9207 < 8.9969] w=0.4940 to align # Constraint # added constraint: constraint((T0301)A315.CB, (T0301)L356.CB) [> 3.8216 = 6.3693 < 8.2801] w=0.4939 to align # Constraint # added constraint: constraint((T0301)T109.CB, (T0301)A147.CB) [> 4.4615 = 7.4358 < 9.6665] w=0.4939 to align # Constraint # added constraint: constraint((T0301)S345.CB, (T0301)A360.CB) [> 3.4910 = 5.8183 < 7.5637] w=0.4935 to align # Constraint # added constraint: constraint((T0301)D83.CB, (T0301)C132.CB) [> 3.2508 = 5.4180 < 7.0434] w=0.4934 to align # Constraint # added constraint: constraint((T0301)D83.CB, (T0301)A115.CB) [> 4.3006 = 7.1677 < 9.3180] w=0.4932 to align # Constraint # added constraint: constraint((T0301)V121.CB, (T0301)C132.CB) [> 3.8239 = 6.3732 < 8.2852] w=0.4839 to align # Constraint # added constraint: constraint((T0301)I73.CB, (T0301)G89.CA) [> 4.0303 = 6.7171 < 8.7323] w=0.4814 to align # Constraint # added constraint: constraint((T0301)V221.CB, (T0301)P276.CB) [> 3.5170 = 5.8617 < 7.6202] w=0.4806 to align # Constraint # added constraint: constraint((T0301)F44.CB, (T0301)K70.CB) [> 4.3599 = 7.2664 < 9.4464] w=0.4802 to align # Constraint # added constraint: constraint((T0301)S108.CB, (T0301)I136.CB) [> 4.2033 = 7.0055 < 9.1072] w=0.4795 to align # Constraint # added constraint: constraint((T0301)E27.CB, (T0301)K76.CB) [> 3.4172 = 5.6953 < 7.4039] w=0.4791 to align # Constraint # added constraint: constraint((T0301)I218.CB, (T0301)A320.CB) [> 4.3825 = 7.3041 < 9.4954] w=0.4784 to align # Constraint # added constraint: constraint((T0301)T12.CB, (T0301)A118.CB) [> 4.2414 = 7.0690 < 9.1897] w=0.4780 to align # Constraint # added constraint: constraint((T0301)F23.CB, (T0301)G110.CA) [> 3.9927 = 6.6544 < 8.6508] w=0.4778 to align # Constraint # added constraint: constraint((T0301)F280.CB, (T0301)L307.CB) [> 4.4981 = 7.4968 < 9.7458] w=0.4778 to align # Constraint # added constraint: constraint((T0301)G16.CA, (T0301)N106.CB) [> 3.1455 = 5.2424 < 6.8151] w=0.4778 to align # Constraint # added constraint: constraint((T0301)N224.CB, (T0301)F280.CB) [> 4.2110 = 7.0184 < 9.1239] w=0.4747 to align # Constraint # added constraint: constraint((T0301)V322.CB, (T0301)V358.CB) [> 3.8426 = 6.4044 < 8.3257] w=0.4728 to align # Constraint # added constraint: constraint((T0301)S69.CB, (T0301)D94.CB) [> 4.6122 = 7.6870 < 9.9931] w=0.4722 to align # Constraint # added constraint: constraint((T0301)A306.CB, (T0301)H351.CB) [> 4.3315 = 7.2192 < 9.3850] w=0.4705 to align # Constraint # added constraint: constraint((T0301)K70.CB, (T0301)Y88.CB) [> 3.8242 = 6.3736 < 8.2857] w=0.4700 to align # Constraint # added constraint: constraint((T0301)H314.CB, (T0301)P352.CB) [> 3.5272 = 5.8786 < 7.6422] w=0.4700 to align # Constraint # added constraint: constraint((T0301)H314.CB, (T0301)H351.CB) [> 3.9969 = 6.6614 < 8.6598] w=0.4700 to align # Constraint # added constraint: constraint((T0301)L246.CB, (T0301)L307.CB) [> 3.1338 = 5.2230 < 6.7899] w=0.4697 to align # Constraint # added constraint: constraint((T0301)G325.CA, (T0301)A362.CB) [> 3.2806 = 5.4678 < 7.1081] w=0.4695 to align # Constraint # added constraint: constraint((T0301)A315.CB, (T0301)G354.CA) [> 4.0584 = 6.7641 < 8.7933] w=0.4695 to align # Constraint # added constraint: constraint((T0301)A279.CB, (T0301)L307.CB) [> 4.5062 = 7.5104 < 9.7635] w=0.4692 to align # Constraint # added constraint: constraint((T0301)V304.CB, (T0301)M317.CB) [> 4.3416 = 7.2360 < 9.4068] w=0.4676 to align # Constraint # added constraint: constraint((T0301)F209.CB, (T0301)V223.CB) [> 3.5404 = 5.9007 < 7.6709] w=0.4647 to align # Constraint # added constraint: constraint((T0301)A113.CB, (T0301)I174.CB) [> 3.7157 = 6.1928 < 8.0506] w=0.4647 to align # Constraint # added constraint: constraint((T0301)G112.CA, (T0301)I174.CB) [> 3.4889 = 5.8148 < 7.5592] w=0.4647 to align # Constraint # added constraint: constraint((T0301)G110.CA, (T0301)I174.CB) [> 4.2700 = 7.1167 < 9.2516] w=0.4647 to align # Constraint # added constraint: constraint((T0301)T109.CB, (T0301)L176.CB) [> 3.9033 = 6.5055 < 8.4571] w=0.4647 to align # Constraint # added constraint: constraint((T0301)T109.CB, (T0301)I174.CB) [> 2.6068 = 4.3447 < 5.6481] w=0.4647 to align # Constraint # added constraint: constraint((T0301)S108.CB, (T0301)L176.CB) [> 2.9870 = 4.9784 < 6.4719] w=0.4647 to align # Constraint # added constraint: constraint((T0301)G105.CA, (T0301)L176.CB) [> 4.1108 = 6.8513 < 8.9067] w=0.4647 to align # Constraint # added constraint: constraint((T0301)E343.CB, (T0301)A362.CB) [> 3.4729 = 5.7882 < 7.5247] w=0.4640 to align # Constraint # added constraint: constraint((T0301)A113.CB, (T0301)V156.CB) [> 3.2124 = 5.3540 < 6.9602] w=0.4633 to align # Constraint # added constraint: constraint((T0301)R344.CB, (T0301)A360.CB) [> 4.1450 = 6.9083 < 8.9807] w=0.4581 to align # Constraint # added constraint: constraint((T0301)T220.CB, (T0301)T275.CB) [> 3.8065 = 6.3442 < 8.2474] w=0.4554 to align # Constraint # added constraint: constraint((T0301)A11.CB, (T0301)V22.CB) [> 3.4099 = 5.6832 < 7.3881] w=0.4531 to align # Constraint # added constraint: constraint((T0301)F23.CB, (T0301)F114.CB) [> 2.7798 = 4.6330 < 6.0229] w=0.4530 to align # Constraint # added constraint: constraint((T0301)F23.CB, (T0301)A111.CB) [> 3.6087 = 6.0146 < 7.8189] w=0.4530 to align # Constraint # added constraint: constraint((T0301)I300.CB, (T0301)R348.CB) [> 3.5250 = 5.8751 < 7.6376] w=0.4522 to align # Constraint # added constraint: constraint((T0301)A346.CB, (T0301)A360.CB) [> 4.4197 = 7.3661 < 9.5760] w=0.4480 to align # Constraint # added constraint: constraint((T0301)A320.CB, (T0301)F349.CB) [> 3.5190 = 5.8650 < 7.6246] w=0.4465 to align # Constraint # added constraint: constraint((T0301)T18.CB, (T0301)P352.CB) [> 4.1008 = 6.8347 < 8.8851] w=0.4459 to align # Constraint # added constraint: constraint((T0301)C71.CB, (T0301)G89.CA) [> 3.1327 = 5.2212 < 6.7876] w=0.4455 to align # Constraint # added constraint: constraint((T0301)S75.CB, (T0301)Y86.CB) [> 3.9596 = 6.5994 < 8.5792] w=0.4455 to align # Constraint # added constraint: constraint((T0301)P181.CB, (T0301)I214.CB) [> 3.7123 = 6.1871 < 8.0433] w=0.4455 to align # Constraint # added constraint: constraint((T0301)P181.CB, (T0301)N215.CB) [> 3.9084 = 6.5140 < 8.4682] w=0.4455 to align # Constraint # added constraint: constraint((T0301)P181.CB, (T0301)A216.CB) [> 3.2842 = 5.4737 < 7.1158] w=0.4455 to align # Constraint # added constraint: constraint((T0301)P181.CB, (T0301)V322.CB) [> 3.5710 = 5.9516 < 7.7371] w=0.4455 to align # Constraint # added constraint: constraint((T0301)A216.CB, (T0301)A321.CB) [> 3.7453 = 6.2421 < 8.1147] w=0.4455 to align # Constraint # added constraint: constraint((T0301)H82.CB, (T0301)T144.CB) [> 3.8541 = 6.4236 < 8.3506] w=0.4449 to align # Constraint # added constraint: constraint((T0301)A113.CB, (T0301)V149.CB) [> 4.4676 = 7.4461 < 9.6799] w=0.4447 to align # Constraint # added constraint: constraint((T0301)A329.CB, (T0301)A362.CB) [> 3.6892 = 6.1488 < 7.9934] w=0.4444 to align # Constraint # added constraint: constraint((T0301)L87.CB, (T0301)F97.CB) [> 3.7741 = 6.2902 < 8.1773] w=0.4442 to align # Constraint # added constraint: constraint((T0301)Y86.CB, (T0301)S108.CB) [> 4.3981 = 7.3302 < 9.5293] w=0.4442 to align # Constraint # added constraint: constraint((T0301)A329.CB, (T0301)G342.CA) [> 3.7517 = 6.2529 < 8.1287] w=0.4439 to align # Constraint # added constraint: constraint((T0301)M45.CB, (T0301)K95.CB) [> 4.3082 = 7.1804 < 9.3345] w=0.4437 to align # Constraint # added constraint: constraint((T0301)A225.CB, (T0301)A282.CB) [> 2.9369 = 4.8948 < 6.3633] w=0.4434 to align # Constraint # added constraint: constraint((T0301)F222.CB, (T0301)I278.CB) [> 4.0909 = 6.8182 < 8.8637] w=0.4421 to align # Constraint # added constraint: constraint((T0301)L116.CB, (T0301)V151.CB) [> 4.3278 = 7.2130 < 9.3769] w=0.4386 to align # Constraint # added constraint: constraint((T0301)A279.CB, (T0301)A320.CB) [> 2.8930 = 4.8217 < 6.2682] w=0.4366 to align # Constraint # added constraint: constraint((T0301)V281.CB, (T0301)I324.CB) [> 3.8997 = 6.4995 < 8.4494] w=0.4366 to align # Constraint # added constraint: constraint((T0301)R25.CB, (T0301)F114.CB) [> 4.2038 = 7.0063 < 9.1082] w=0.4289 to align # Constraint # added constraint: constraint((T0301)T12.CB, (T0301)V22.CB) [> 4.1580 = 6.9301 < 9.0091] w=0.4285 to align # Constraint # added constraint: constraint((T0301)C71.CB, (T0301)L107.CB) [> 4.4564 = 7.4273 < 9.6555] w=0.4280 to align # Constraint # added constraint: constraint((T0301)D41.CB, (T0301)P96.CB) [> 4.5496 = 7.5827 < 9.8575] w=0.4279 to align # Constraint # added constraint: constraint((T0301)T220.CB, (T0301)A306.CB) [> 4.5726 = 7.6211 < 9.9074] w=0.4277 to align # Constraint # added constraint: constraint((T0301)V347.CB, (T0301)E361.CB) [> 4.6039 = 7.6731 < 9.9751] w=0.4247 to align # Constraint # added constraint: constraint((T0301)E226.CB, (T0301)A282.CB) [> 4.2339 = 7.0564 < 9.1734] w=0.4242 to align # Constraint # added constraint: constraint((T0301)L74.CB, (T0301)F114.CB) [> 4.2496 = 7.0826 < 9.2074] w=0.4240 to align # Constraint # added constraint: constraint((T0301)K70.CB, (T0301)G89.CA) [> 3.6096 = 6.0161 < 7.8209] w=0.4210 to align # Constraint # added constraint: constraint((T0301)G102.CA, (T0301)I141.CB) [> 2.5208 = 4.2013 < 5.4616] w=0.4209 to align # Constraint # added constraint: constraint((T0301)C71.CB, (T0301)Y88.CB) [> 4.4138 = 7.3564 < 9.5633] w=0.4201 to align # Constraint # added constraint: constraint((T0301)A321.CB, (T0301)L356.CB) [> 3.0804 = 5.1339 < 6.6741] w=0.4197 to align # Constraint # added constraint: constraint((T0301)G318.CA, (T0301)L356.CB) [> 3.4244 = 5.7073 < 7.4195] w=0.4197 to align # Constraint # added constraint: constraint((T0301)V22.CB, (T0301)G110.CA) [> 3.6797 = 6.1328 < 7.9726] w=0.4195 to align # Constraint # added constraint: constraint((T0301)T326.CB, (T0301)V371.CB) [> 3.2303 = 5.3839 < 6.9991] w=0.4188 to align # Constraint # added constraint: constraint((T0301)S78.CB, (T0301)R135.CB) [> 3.7016 = 6.1694 < 8.0202] w=0.4186 to align # Constraint # added constraint: constraint((T0301)E250.CB, (T0301)M309.CB) [> 3.1757 = 5.2929 < 6.8808] w=0.4152 to align # Constraint # added constraint: constraint((T0301)A329.CB, (T0301)G341.CA) [> 3.4996 = 5.8327 < 7.5825] w=0.4141 to align # Constraint # added constraint: constraint((T0301)A346.CB, (T0301)E361.CB) [> 3.0333 = 5.0556 < 6.5723] w=0.4138 to align # Constraint # added constraint: constraint((T0301)G318.CA, (T0301)V358.CB) [> 3.9191 = 6.5319 < 8.4914] w=0.4127 to align # Constraint # added constraint: constraint((T0301)T18.CB, (T0301)G354.CA) [> 3.8272 = 6.3787 < 8.2923] w=0.4099 to align # Constraint # added constraint: constraint((T0301)T18.CB, (T0301)S353.CB) [> 2.4012 = 4.0019 < 5.2025] w=0.4092 to align # Constraint # added constraint: constraint((T0301)L116.CB, (T0301)C132.CB) [> 3.7969 = 6.3282 < 8.2266] w=0.4090 to align # Constraint # added constraint: constraint((T0301)M213.CB, (T0301)T275.CB) [> 3.7269 = 6.2115 < 8.0749] w=0.4051 to align # Constraint # added constraint: constraint((T0301)L14.CB, (T0301)F23.CB) [> 3.5608 = 5.9347 < 7.7151] w=0.4040 to align # Constraint # added constraint: constraint((T0301)Y13.CB, (T0301)F23.CB) [> 4.3505 = 7.2508 < 9.4260] w=0.4037 to align # Constraint # added constraint: constraint((T0301)T12.CB, (T0301)F23.CB) [> 3.1132 = 5.1887 < 6.7453] w=0.4036 to align # Constraint # added constraint: constraint((T0301)G21.CA, (T0301)S69.CB) [> 3.8942 = 6.4904 < 8.4375] w=0.4034 to align # Constraint # added constraint: constraint((T0301)D199.CB, (T0301)A211.CB) [> 3.4391 = 5.7319 < 7.4515] w=0.3997 to align # Constraint # added constraint: constraint((T0301)H117.CB, (T0301)V156.CB) [> 3.7062 = 6.1770 < 8.0301] w=0.3992 to align # Constraint # added constraint: constraint((T0301)K277.CB, (T0301)M309.CB) [> 3.5136 = 5.8559 < 7.6127] w=0.3984 to align # Constraint # added constraint: constraint((T0301)I228.CB, (T0301)F280.CB) [> 3.9041 = 6.5068 < 8.4588] w=0.3966 to align # Constraint # added constraint: constraint((T0301)S19.CB, (T0301)K70.CB) [> 3.9262 = 6.5437 < 8.5068] w=0.3962 to align # Constraint # added constraint: constraint((T0301)I228.CB, (T0301)L303.CB) [> 2.7434 = 4.5723 < 5.9440] w=0.3959 to align # Constraint # added constraint: constraint((T0301)H148.CB, (T0301)L176.CB) [> 4.5199 = 7.5332 < 9.7931] w=0.3958 to align # Constraint # added constraint: constraint((T0301)A328.CB, (T0301)G340.CA) [> 3.8514 = 6.4191 < 8.3448] w=0.3958 to align # Constraint # added constraint: constraint((T0301)H313.CB, (T0301)P352.CB) [> 4.4606 = 7.4344 < 9.6647] w=0.3953 to align # Constraint # added constraint: constraint((T0301)S19.CB, (T0301)H314.CB) [> 3.0830 = 5.1384 < 6.6799] w=0.3953 to align # Constraint # added constraint: constraint((T0301)V22.CB, (T0301)A111.CB) [> 3.2507 = 5.4179 < 7.0432] w=0.3948 to align # Constraint # added constraint: constraint((T0301)A360.CB, (T0301)V371.CB) [> 3.1643 = 5.2739 < 6.8560] w=0.3946 to align # Constraint # added constraint: constraint((T0301)S345.CB, (T0301)A362.CB) [> 3.6973 = 6.1622 < 8.0109] w=0.3910 to align # Constraint # added constraint: constraint((T0301)V91.CB, (T0301)W100.CB) [> 4.3276 = 7.2126 < 9.3764] w=0.3901 to align # Constraint # added constraint: constraint((T0301)D85.CB, (T0301)V134.CB) [> 4.1709 = 6.9514 < 9.0369] w=0.3894 to align # Constraint # added constraint: constraint((T0301)A147.CB, (T0301)L176.CB) [> 3.0030 = 5.0050 < 6.5065] w=0.3888 to align # Constraint # added constraint: constraint((T0301)A216.CB, (T0301)T326.CB) [> 3.7984 = 6.3307 < 8.2299] w=0.3878 to align # Constraint # added constraint: constraint((T0301)G232.CA, (T0301)Q245.CB) [> 3.5041 = 5.8402 < 7.5923] w=0.3874 to align # Constraint # added constraint: constraint((T0301)V358.CB, (T0301)V371.CB) [> 3.6459 = 6.0765 < 7.8994] w=0.3861 to align # Constraint # added constraint: constraint((T0301)A111.CB, (T0301)A147.CB) [> 4.1306 = 6.8843 < 8.9496] w=0.3857 to align # Constraint # added constraint: constraint((T0301)P123.CB, (T0301)C132.CB) [> 3.4023 = 5.6705 < 7.3717] w=0.3857 to align # Constraint # added constraint: constraint((T0301)I214.CB, (T0301)G325.CA) [> 4.0435 = 6.7391 < 8.7609] w=0.3834 to align # Constraint # added constraint: constraint((T0301)P283.CB, (T0301)L303.CB) [> 3.9155 = 6.5259 < 8.4837] w=0.3788 to align # Constraint # added constraint: constraint((T0301)H314.CB, (T0301)S353.CB) [> 2.4084 = 4.0139 < 5.2181] w=0.3785 to align # Constraint # added constraint: constraint((T0301)A306.CB, (T0301)M316.CB) [> 3.4759 = 5.7932 < 7.5312] w=0.3784 to align # Constraint # added constraint: constraint((T0301)H148.CB, (T0301)V175.CB) [> 2.7499 = 4.5831 < 5.9581] w=0.3784 to align # Constraint # added constraint: constraint((T0301)R135.CB, (T0301)I146.CB) [> 3.2939 = 5.4899 < 7.1368] w=0.3762 to align # Constraint # added constraint: constraint((T0301)H148.CB, (T0301)I174.CB) [> 4.1160 = 6.8601 < 8.9181] w=0.3749 to align # Constraint # added constraint: constraint((T0301)V221.CB, (T0301)T275.CB) [> 3.1333 = 5.2222 < 6.7888] w=0.3732 to align # Constraint # added constraint: constraint((T0301)M317.CB, (T0301)L356.CB) [> 3.9538 = 6.5896 < 8.5665] w=0.3721 to align # Constraint # added constraint: constraint((T0301)V84.CB, (T0301)V121.CB) [> 4.6116 = 7.6860 < 9.9918] w=0.3721 to align # Constraint # added constraint: constraint((T0301)V84.CB, (T0301)L120.CB) [> 4.4445 = 7.4074 < 9.6297] w=0.3721 to align # Constraint # added constraint: constraint((T0301)K70.CB, (T0301)Q90.CB) [> 3.7811 = 6.3018 < 8.1924] w=0.3721 to align # Constraint # added constraint: constraint((T0301)G102.CA, (T0301)G142.CA) [> 3.3136 = 5.5227 < 7.1795] w=0.3720 to align # Constraint # added constraint: constraint((T0301)A320.CB, (T0301)H351.CB) [> 4.1590 = 6.9317 < 9.0112] w=0.3718 to align # Constraint # added constraint: constraint((T0301)D41.CB, (T0301)K95.CB) [> 3.6169 = 6.0282 < 7.8367] w=0.3718 to align # Constraint # added constraint: constraint((T0301)I145.CB, (T0301)L176.CB) [> 3.3480 = 5.5800 < 7.2540] w=0.3714 to align # Constraint # added constraint: constraint((T0301)I145.CB, (T0301)E177.CB) [> 3.7163 = 6.1939 < 8.0520] w=0.3714 to align # Constraint # added constraint: constraint((T0301)I145.CB, (T0301)F178.CB) [> 3.8156 = 6.3594 < 8.2672] w=0.3714 to align # Constraint # added constraint: constraint((T0301)I146.CB, (T0301)L176.CB) [> 4.3307 = 7.2178 < 9.3832] w=0.3714 to align # Constraint # added constraint: constraint((T0301)I146.CB, (T0301)E177.CB) [> 2.6899 = 4.4832 < 5.8282] w=0.3714 to align # Constraint # added constraint: constraint((T0301)A147.CB, (T0301)I174.CB) [> 3.5826 = 5.9710 < 7.7623] w=0.3714 to align # Constraint # added constraint: constraint((T0301)A147.CB, (T0301)V175.CB) [> 4.3041 = 7.1735 < 9.3256] w=0.3714 to align # Constraint # added constraint: constraint((T0301)A147.CB, (T0301)E177.CB) [> 4.5458 = 7.5764 < 9.8493] w=0.3714 to align # Constraint # added constraint: constraint((T0301)L29.CB, (T0301)S75.CB) [> 4.1572 = 6.9286 < 9.0072] w=0.3713 to align # Constraint # added constraint: constraint((T0301)C104.CB, (T0301)I218.CB) [> 4.3583 = 7.2638 < 9.4430] w=0.3711 to align # Constraint # added constraint: constraint((T0301)G16.CA, (T0301)A315.CB) [> 3.9478 = 6.5796 < 8.5535] w=0.3711 to align # Constraint # added constraint: constraint((T0301)G17.CA, (T0301)H314.CB) [> 3.8078 = 6.3463 < 8.2502] w=0.3711 to align # Constraint # added constraint: constraint((T0301)F178.CB, (T0301)G318.CA) [> 4.2862 = 7.1436 < 9.2867] w=0.3711 to align # Constraint # added constraint: constraint((T0301)K210.CB, (T0301)V223.CB) [> 4.3941 = 7.3234 < 9.5205] w=0.3711 to align # Constraint # added constraint: constraint((T0301)A216.CB, (T0301)G318.CA) [> 3.6705 = 6.1175 < 7.9527] w=0.3711 to align # Constraint # added constraint: constraint((T0301)K277.CB, (T0301)T319.CB) [> 3.8341 = 6.3902 < 8.3073] w=0.3711 to align # Constraint # added constraint: constraint((T0301)S182.CB, (T0301)N215.CB) [> 2.7452 = 4.5754 < 5.9480] w=0.3710 to align # Constraint # added constraint: constraint((T0301)S182.CB, (T0301)I214.CB) [> 4.0149 = 6.6915 < 8.6989] w=0.3710 to align # Constraint # added constraint: constraint((T0301)N103.CB, (T0301)I218.CB) [> 3.4067 = 5.6778 < 7.3811] w=0.3710 to align # Constraint # added constraint: constraint((T0301)D199.CB, (T0301)K210.CB) [> 3.9135 = 6.5225 < 8.4792] w=0.3710 to align # Constraint # added constraint: constraint((T0301)V198.CB, (T0301)K210.CB) [> 3.0968 = 5.1613 < 6.7097] w=0.3710 to align # Constraint # added constraint: constraint((T0301)T18.CB, (T0301)H351.CB) [> 4.3989 = 7.3316 < 9.5310] w=0.3708 to align # Constraint # added constraint: constraint((T0301)V206.CB, (T0301)R248.CB) [> 4.1054 = 6.8423 < 8.8950] w=0.3708 to align # Constraint # added constraint: constraint((T0301)F23.CB, (T0301)L43.CB) [> 3.9903 = 6.6505 < 8.6456] w=0.3702 to align # Constraint # added constraint: constraint((T0301)F23.CB, (T0301)R40.CB) [> 4.6725 = 7.7875 < 10.1237] w=0.3702 to align # Constraint # added constraint: constraint((T0301)V22.CB, (T0301)L74.CB) [> 4.1029 = 6.8381 < 8.8895] w=0.3702 to align # Constraint # added constraint: constraint((T0301)G21.CA, (T0301)V47.CB) [> 3.6200 = 6.0334 < 7.8434] w=0.3702 to align # Constraint # added constraint: constraint((T0301)M316.CB, (T0301)G350.CA) [> 3.7524 = 6.2540 < 8.1303] w=0.3698 to align # Constraint # added constraint: constraint((T0301)G325.CA, (T0301)V371.CB) [> 3.9824 = 6.6373 < 8.6284] w=0.3697 to align # Constraint # added constraint: constraint((T0301)V47.CB, (T0301)D94.CB) [> 4.6377 = 7.7294 < 10.0482] w=0.3696 to align # Constraint # added constraint: constraint((T0301)L262.CB, (T0301)T275.CB) [> 3.6450 = 6.0750 < 7.8974] w=0.3659 to align # Constraint # added constraint: constraint((T0301)A328.CB, (T0301)G341.CA) [> 3.5073 = 5.8454 < 7.5991] w=0.3655 to align # Constraint # added constraint: constraint((T0301)L116.CB, (T0301)V156.CB) [> 2.5737 = 4.2894 < 5.5763] w=0.3650 to align # Constraint # added constraint: constraint((T0301)K277.CB, (T0301)A320.CB) [> 4.0289 = 6.7148 < 8.7292] w=0.3631 to align # Constraint # added constraint: constraint((T0301)I131.CB, (T0301)V151.CB) [> 3.9521 = 6.5869 < 8.5630] w=0.3579 to align # Constraint # added constraint: constraint((T0301)I214.CB, (T0301)I324.CB) [> 4.1252 = 6.8753 < 8.9379] w=0.3574 to align # Constraint # added constraint: constraint((T0301)V91.CB, (T0301)L107.CB) [> 3.3991 = 5.6652 < 7.3648] w=0.3570 to align # Constraint # added constraint: constraint((T0301)V72.CB, (T0301)V91.CB) [> 3.3716 = 5.6193 < 7.3051] w=0.3570 to align # Constraint # added constraint: constraint((T0301)V304.CB, (T0301)A321.CB) [> 3.9606 = 6.6010 < 8.5813] w=0.3549 to align # Constraint # added constraint: constraint((T0301)V72.CB, (T0301)C104.CB) [> 4.3834 = 7.3057 < 9.4974] w=0.3543 to align # Constraint # added constraint: constraint((T0301)S69.CB, (T0301)L107.CB) [> 4.6073 = 7.6789 < 9.9825] w=0.3538 to align # Constraint # added constraint: constraint((T0301)S69.CB, (T0301)N106.CB) [> 4.4901 = 7.4835 < 9.7286] w=0.3530 to align # Constraint # added constraint: constraint((T0301)F249.CB, (T0301)F280.CB) [> 3.9353 = 6.5588 < 8.5265] w=0.3499 to align # Constraint # added constraint: constraint((T0301)N103.CB, (T0301)F178.CB) [> 4.3478 = 7.2463 < 9.4202] w=0.3489 to align # Constraint # added constraint: constraint((T0301)I136.CB, (T0301)I146.CB) [> 4.4978 = 7.4964 < 9.7453] w=0.3487 to align # Constraint # added constraint: constraint((T0301)I228.CB, (T0301)V281.CB) [> 4.1771 = 6.9618 < 9.0504] w=0.3470 to align # Constraint # added constraint: constraint((T0301)G232.CA, (T0301)F280.CB) [> 4.4212 = 7.3687 < 9.5793] w=0.3466 to align # Constraint # added constraint: constraint((T0301)G102.CA, (T0301)N140.CB) [> 3.4556 = 5.7593 < 7.4871] w=0.3465 to align # Constraint # added constraint: constraint((T0301)M317.CB, (T0301)H351.CB) [> 4.1751 = 6.9585 < 9.0460] w=0.3464 to align # Constraint # added constraint: constraint((T0301)V198.CB, (T0301)T212.CB) [> 3.8605 = 6.4341 < 8.3644] w=0.3462 to align # Constraint # added constraint: constraint((T0301)L197.CB, (T0301)T212.CB) [> 3.3701 = 5.6168 < 7.3019] w=0.3462 to align # Constraint # added constraint: constraint((T0301)A315.CB, (T0301)S353.CB) [> 2.8974 = 4.8290 < 6.2777] w=0.3461 to align # Constraint # added constraint: constraint((T0301)R253.CB, (T0301)T275.CB) [> 3.4335 = 5.7226 < 7.4394] w=0.3458 to align # Constraint # added constraint: constraint((T0301)A115.CB, (T0301)V134.CB) [> 4.1302 = 6.8837 < 8.9488] w=0.3458 to align # Constraint # added constraint: constraint((T0301)F24.CB, (T0301)F114.CB) [> 4.2735 = 7.1225 < 9.2593] w=0.3458 to align # Constraint # added constraint: constraint((T0301)D85.CB, (T0301)R135.CB) [> 2.9972 = 4.9954 < 6.4940] w=0.3457 to align # Constraint # added constraint: constraint((T0301)G332.CA, (T0301)G342.CA) [> 4.2294 = 7.0490 < 9.1637] w=0.3457 to align # Constraint # added constraint: constraint((T0301)T275.CB, (T0301)S308.CB) [> 3.5826 = 5.9709 < 7.7622] w=0.3456 to align # Constraint # added constraint: constraint((T0301)V72.CB, (T0301)F114.CB) [> 4.6651 = 7.7751 < 10.1076] w=0.3456 to align # Constraint # added constraint: constraint((T0301)T18.CB, (T0301)M316.CB) [> 2.5053 = 4.1755 < 5.4282] w=0.3456 to align # Constraint # added constraint: constraint((T0301)E343.CB, (T0301)S363.CB) [> 3.9110 = 6.5183 < 8.4738] w=0.3454 to align # Constraint # added constraint: constraint((T0301)T326.CB, (T0301)A360.CB) [> 4.1443 = 6.9071 < 8.9792] w=0.3453 to align # Constraint # added constraint: constraint((T0301)V22.CB, (T0301)F114.CB) [> 2.7742 = 4.6237 < 6.0109] w=0.3452 to align # Constraint # added constraint: constraint((T0301)A279.CB, (T0301)M317.CB) [> 4.1158 = 6.8596 < 8.9175] w=0.3446 to align # Constraint # added constraint: constraint((T0301)L246.CB, (T0301)I278.CB) [> 3.0196 = 5.0327 < 6.5426] w=0.3400 to align # Constraint # added constraint: constraint((T0301)V134.CB, (T0301)V149.CB) [> 3.7916 = 6.3193 < 8.2151] w=0.3391 to align # Constraint # added constraint: constraint((T0301)L246.CB, (T0301)F280.CB) [> 4.3027 = 7.1711 < 9.3224] w=0.3362 to align # Constraint # added constraint: constraint((T0301)D180.CB, (T0301)W369.CB) [> 3.9912 = 6.6520 < 8.6476] w=0.3351 to align # Constraint # added constraint: constraint((T0301)F178.CB, (T0301)V371.CB) [> 3.3287 = 5.5479 < 7.2123] w=0.3351 to align # Constraint # added constraint: constraint((T0301)F178.CB, (T0301)T370.CB) [> 4.2462 = 7.0769 < 9.2000] w=0.3351 to align # Constraint # added constraint: constraint((T0301)L262.CB, (T0301)P276.CB) [> 3.3930 = 5.6550 < 7.3515] w=0.3336 to align # Constraint # added constraint: constraint((T0301)I73.CB, (T0301)Q90.CB) [> 2.7389 = 4.5649 < 5.9344] w=0.3325 to align # Constraint # added constraint: constraint((T0301)L74.CB, (T0301)Y88.CB) [> 4.3806 = 7.3010 < 9.4913] w=0.3325 to align # Constraint # added constraint: constraint((T0301)L74.CB, (T0301)G89.CA) [> 3.3917 = 5.6529 < 7.3487] w=0.3325 to align # Constraint # added constraint: constraint((T0301)S75.CB, (T0301)Y88.CB) [> 2.4995 = 4.1659 < 5.4156] w=0.3325 to align # Constraint # added constraint: constraint((T0301)S75.CB, (T0301)G89.CA) [> 3.6766 = 6.1276 < 7.9660] w=0.3325 to align # Constraint # added constraint: constraint((T0301)S77.CB, (T0301)Y88.CB) [> 3.3511 = 5.5851 < 7.2606] w=0.3325 to align # Constraint # added constraint: constraint((T0301)K210.CB, (T0301)N224.CB) [> 4.1733 = 6.9556 < 9.0423] w=0.3320 to align # Constraint # added constraint: constraint((T0301)N103.CB, (T0301)G318.CA) [> 4.3036 = 7.1726 < 9.3244] w=0.3320 to align # Constraint # added constraint: constraint((T0301)F280.CB, (T0301)L303.CB) [> 3.7927 = 6.3213 < 8.2176] w=0.3319 to align # Constraint # added constraint: constraint((T0301)T220.CB, (T0301)I324.CB) [> 4.5854 = 7.6423 < 9.9350] w=0.3312 to align # Constraint # added constraint: constraint((T0301)A216.CB, (T0301)A320.CB) [> 4.0832 = 6.8053 < 8.8469] w=0.3311 to align # Constraint # added constraint: constraint((T0301)I9.CB, (T0301)F24.CB) [> 3.6019 = 6.0032 < 7.8041] w=0.3293 to align # Constraint # added constraint: constraint((T0301)G21.CA, (T0301)N106.CB) [> 4.2622 = 7.1036 < 9.2347] w=0.3290 to align # Constraint # added constraint: constraint((T0301)Q90.CB, (T0301)D99.CB) [> 3.3919 = 5.6533 < 7.3492] w=0.3287 to align # Constraint # added constraint: constraint((T0301)V149.CB, (T0301)I174.CB) [> 3.3754 = 5.6257 < 7.3134] w=0.3253 to align # Constraint # added constraint: constraint((T0301)L87.CB, (T0301)I141.CB) [> 3.8038 = 6.3397 < 8.2417] w=0.3225 to align # Constraint # added constraint: constraint((T0301)Y86.CB, (T0301)N140.CB) [> 3.8007 = 6.3345 < 8.2349] w=0.3224 to align # Constraint # added constraint: constraint((T0301)D85.CB, (T0301)N140.CB) [> 4.5020 = 7.5033 < 9.7543] w=0.3224 to align # Constraint # added constraint: constraint((T0301)G142.CA, (T0301)G217.CA) [> 3.9551 = 6.5918 < 8.5693] w=0.3218 to align # Constraint # added constraint: constraint((T0301)I145.CB, (T0301)L179.CB) [> 4.0855 = 6.8092 < 8.8520] w=0.3218 to align # Constraint # added constraint: constraint((T0301)E250.CB, (T0301)L307.CB) [> 3.5809 = 5.9682 < 7.7586] w=0.3214 to align # Constraint # added constraint: constraint((T0301)S77.CB, (T0301)V134.CB) [> 4.5350 = 7.5583 < 9.8258] w=0.3214 to align # Constraint # added constraint: constraint((T0301)I278.CB, (T0301)R305.CB) [> 4.0658 = 6.7764 < 8.8093] w=0.3214 to align # Constraint # added constraint: constraint((T0301)P276.CB, (T0301)L307.CB) [> 4.1643 = 6.9405 < 9.0226] w=0.3214 to align # Constraint # added constraint: constraint((T0301)K20.CB, (T0301)C71.CB) [> 4.2257 = 7.0428 < 9.1556] w=0.3211 to align # Constraint # added constraint: constraint((T0301)Y88.CB, (T0301)C104.CB) [> 2.6811 = 4.4685 < 5.8091] w=0.3211 to align # Constraint # added constraint: constraint((T0301)K20.CB, (T0301)G110.CA) [> 3.2481 = 5.4135 < 7.0376] w=0.3211 to align # Constraint # added constraint: constraint((T0301)K20.CB, (T0301)L107.CB) [> 2.6483 = 4.4138 < 5.7379] w=0.3211 to align # Constraint # added constraint: constraint((T0301)K20.CB, (T0301)V72.CB) [> 3.7634 = 6.2723 < 8.1539] w=0.3211 to align # Constraint # added constraint: constraint((T0301)S363.CB, (T0301)T372.CB) [> 3.1455 = 5.2424 < 6.8151] w=0.3210 to align # Constraint # added constraint: constraint((T0301)I228.CB, (T0301)A282.CB) [> 3.1530 = 5.2550 < 6.8315] w=0.3205 to align # Constraint # added constraint: constraint((T0301)F249.CB, (T0301)L262.CB) [> 3.8358 = 6.3930 < 8.3108] w=0.3159 to align # Constraint # added constraint: constraint((T0301)E177.CB, (T0301)T370.CB) [> 3.5164 = 5.8606 < 7.6188] w=0.3159 to align # Constraint # added constraint: constraint((T0301)N106.CB, (T0301)L356.CB) [> 4.6018 = 7.6697 < 9.9706] w=0.3140 to align # Constraint # added constraint: constraint((T0301)F222.CB, (T0301)A320.CB) [> 4.6922 = 7.8204 < 10.1665] w=0.3139 to align # Constraint # added constraint: constraint((T0301)L201.CB, (T0301)V221.CB) [> 4.2958 = 7.1597 < 9.3076] w=0.3108 to align # Constraint # added constraint: constraint((T0301)A321.CB, (T0301)A360.CB) [> 2.9105 = 4.8508 < 6.3061] w=0.3095 to align # Constraint # added constraint: constraint((T0301)D200.CB, (T0301)F209.CB) [> 4.4491 = 7.4151 < 9.6397] w=0.3071 to align # Constraint # added constraint: constraint((T0301)A328.CB, (T0301)A339.CB) [> 3.1440 = 5.2401 < 6.8121] w=0.3065 to align # Constraint # added constraint: constraint((T0301)V134.CB, (T0301)H148.CB) [> 4.2874 = 7.1457 < 9.2894] w=0.3046 to align # Constraint # added constraint: constraint((T0301)C132.CB, (T0301)V151.CB) [> 4.0648 = 6.7747 < 8.8071] w=0.3044 to align # Constraint # added constraint: constraint((T0301)I300.CB, (T0301)A346.CB) [> 3.6798 = 6.1331 < 7.9730] w=0.3041 to align # Constraint # added constraint: constraint((T0301)M316.CB, (T0301)V358.CB) [> 3.8788 = 6.4647 < 8.4042] w=0.3039 to align # Constraint # added constraint: constraint((T0301)S101.CB, (T0301)T319.CB) [> 4.0699 = 6.7831 < 8.8181] w=0.3003 to align # Constraint # added constraint: constraint((T0301)L334.CB, (T0301)S345.CB) [> 3.3237 = 5.5395 < 7.2013] w=0.2997 to align # Constraint # added constraint: constraint((T0301)L74.CB, (T0301)L120.CB) [> 4.3019 = 7.1698 < 9.3207] w=0.2977 to align # Constraint # added constraint: constraint((T0301)S182.CB, (T0301)A216.CB) [> 4.5683 = 7.6137 < 9.8979] w=0.2977 to align # Constraint # added constraint: constraint((T0301)V203.CB, (T0301)F249.CB) [> 3.9868 = 6.6447 < 8.6381] w=0.2977 to align # Constraint # added constraint: constraint((T0301)E250.CB, (T0301)T275.CB) [> 3.7161 = 6.1936 < 8.0516] w=0.2977 to align # Constraint # added constraint: constraint((T0301)L246.CB, (T0301)L312.CB) [> 3.8238 = 6.3730 < 8.2850] w=0.2974 to align # Constraint # added constraint: constraint((T0301)R25.CB, (T0301)A118.CB) [> 3.6508 = 6.0847 < 7.9101] w=0.2971 to align # Constraint # added constraint: constraint((T0301)H148.CB, (T0301)E177.CB) [> 4.5890 = 7.6483 < 9.9428] w=0.2970 to align # Constraint # added constraint: constraint((T0301)L87.CB, (T0301)N140.CB) [> 4.2332 = 7.0553 < 9.1718] w=0.2970 to align # Constraint # added constraint: constraint((T0301)D129.CB, (T0301)V151.CB) [> 3.2898 = 5.4831 < 7.1280] w=0.2967 to align # Constraint # added constraint: constraint((T0301)A329.CB, (T0301)A360.CB) [> 3.3430 = 5.5716 < 7.2431] w=0.2967 to align # Constraint # added constraint: constraint((T0301)A321.CB, (T0301)V371.CB) [> 3.6015 = 6.0025 < 7.8032] w=0.2966 to align # Constraint # added constraint: constraint((T0301)S108.CB, (T0301)I174.CB) [> 4.3591 = 7.2653 < 9.4448] w=0.2966 to align # Constraint # added constraint: constraint((T0301)G105.CA, (T0301)F178.CB) [> 4.3393 = 7.2321 < 9.4017] w=0.2966 to align # Constraint # added constraint: constraint((T0301)K20.CB, (T0301)A111.CB) [> 4.3190 = 7.1983 < 9.3578] w=0.2963 to align # Constraint # added constraint: constraint((T0301)T12.CB, (T0301)H117.CB) [> 4.4958 = 7.4930 < 9.7409] w=0.2963 to align # Constraint # added constraint: constraint((T0301)M316.CB, (T0301)T355.CB) [> 4.1690 = 6.9484 < 9.0329] w=0.2962 to align # Constraint # added constraint: constraint((T0301)T109.CB, (T0301)G318.CA) [> 4.4698 = 7.4497 < 9.6846] w=0.2962 to align # Constraint # added constraint: constraint((T0301)T220.CB, (T0301)M317.CB) [> 4.3492 = 7.2487 < 9.4232] w=0.2961 to align # Constraint # added constraint: constraint((T0301)E227.CB, (T0301)A282.CB) [> 3.3633 = 5.6054 < 7.2870] w=0.2958 to align # Constraint # added constraint: constraint((T0301)D99.CB, (T0301)I136.CB) [> 3.8446 = 6.4077 < 8.3301] w=0.2953 to align # Constraint # added constraint: constraint((T0301)W100.CB, (T0301)I136.CB) [> 3.6265 = 6.0442 < 7.8575] w=0.2953 to align # Constraint # added constraint: constraint((T0301)I330.CB, (T0301)N366.CB) [> 3.5235 = 5.8725 < 7.6342] w=0.2951 to align # Constraint # added constraint: constraint((T0301)Y88.CB, (T0301)N140.CB) [> 4.4554 = 7.4257 < 9.6535] w=0.2911 to align # Constraint # added constraint: constraint((T0301)R357.CB, (T0301)V371.CB) [> 4.4282 = 7.3803 < 9.5944] w=0.2884 to align # Constraint # added constraint: constraint((T0301)L356.CB, (T0301)V371.CB) [> 3.3519 = 5.5865 < 7.2625] w=0.2884 to align # Constraint # added constraint: constraint((T0301)A306.CB, (T0301)A315.CB) [> 3.9151 = 6.5252 < 8.4828] w=0.2844 to align # Constraint # added constraint: constraint((T0301)K70.CB, (T0301)V91.CB) [> 3.3459 = 5.5766 < 7.2495] w=0.2827 to align # Constraint # added constraint: constraint((T0301)C71.CB, (T0301)V91.CB) [> 4.5830 = 7.6384 < 9.9299] w=0.2827 to align # Constraint # added constraint: constraint((T0301)F280.CB, (T0301)L302.CB) [> 3.2326 = 5.3876 < 7.0039] w=0.2823 to align # Constraint # added constraint: constraint((T0301)A321.CB, (T0301)W369.CB) [> 3.4506 = 5.7510 < 7.4763] w=0.2810 to align # Constraint # added constraint: constraint((T0301)A320.CB, (T0301)V371.CB) [> 4.0736 = 6.7893 < 8.8261] w=0.2810 to align # Constraint # added constraint: constraint((T0301)V304.CB, (T0301)T319.CB) [> 3.6136 = 6.0226 < 7.8294] w=0.2810 to align # Constraint # added constraint: constraint((T0301)L302.CB, (T0301)A323.CB) [> 3.5925 = 5.9875 < 7.7837] w=0.2810 to align # Constraint # added constraint: constraint((T0301)V281.CB, (T0301)A323.CB) [> 3.0725 = 5.1208 < 6.6570] w=0.2810 to align # Constraint # added constraint: constraint((T0301)A279.CB, (T0301)T319.CB) [> 3.0700 = 5.1166 < 6.6516] w=0.2810 to align # Constraint # added constraint: constraint((T0301)I9.CB, (T0301)L26.CB) [> 4.1114 = 6.8523 < 8.9080] w=0.2804 to align # Constraint # added constraint: constraint((T0301)P276.CB, (T0301)K311.CB) [> 4.2169 = 7.0281 < 9.1366] w=0.2799 to align # Constraint # added constraint: constraint((T0301)K76.CB, (T0301)Y88.CB) [> 4.0161 = 6.6935 < 8.7016] w=0.2795 to align # Constraint # added constraint: constraint((T0301)G89.CA, (T0301)A111.CB) [> 4.0648 = 6.7746 < 8.8070] w=0.2795 to align # Constraint # added constraint: constraint((T0301)I278.CB, (T0301)S308.CB) [> 4.2310 = 7.0517 < 9.1672] w=0.2793 to align # Constraint # added constraint: constraint((T0301)V358.CB, (T0301)T372.CB) [> 4.5786 = 7.6310 < 9.9203] w=0.2791 to align # Constraint # added constraint: constraint((T0301)I73.CB, (T0301)S92.CB) [> 4.5691 = 7.6152 < 9.8998] w=0.2786 to align # Constraint # added constraint: constraint((T0301)C71.CB, (T0301)S92.CB) [> 3.2002 = 5.3336 < 6.9337] w=0.2786 to align # Constraint # added constraint: constraint((T0301)K70.CB, (T0301)S92.CB) [> 3.9346 = 6.5578 < 8.5251] w=0.2786 to align # Constraint # added constraint: constraint((T0301)F44.CB, (T0301)S92.CB) [> 2.3400 = 3.9000 < 5.0699] w=0.2786 to align # Constraint # added constraint: constraint((T0301)S345.CB, (T0301)Q364.CB) [> 4.2437 = 7.0729 < 9.1947] w=0.2768 to align # Constraint # added constraint: constraint((T0301)Q90.CB, (T0301)W100.CB) [> 4.1168 = 6.8614 < 8.9198] w=0.2756 to align # Constraint # added constraint: constraint((T0301)I146.CB, (T0301)L164.CB) [> 4.1118 = 6.8531 < 8.9090] w=0.2752 to align # Constraint # added constraint: constraint((T0301)I145.CB, (T0301)L164.CB) [> 3.2920 = 5.4867 < 7.1327] w=0.2752 to align # Constraint # added constraint: constraint((T0301)K143.CB, (T0301)V167.CB) [> 4.1179 = 6.8632 < 8.9222] w=0.2752 to align # Constraint # added constraint: constraint((T0301)S75.CB, (T0301)Q90.CB) [> 4.0619 = 6.7699 < 8.8008] w=0.2748 to align # Constraint # added constraint: constraint((T0301)G205.CA, (T0301)R248.CB) [> 3.9969 = 6.6614 < 8.6599] w=0.2729 to align # Constraint # added constraint: constraint((T0301)L312.CB, (T0301)P352.CB) [> 4.4917 = 7.4862 < 9.7320] w=0.2725 to align # Constraint # added constraint: constraint((T0301)G298.CA, (T0301)R348.CB) [> 3.7605 = 6.2675 < 8.1478] w=0.2723 to align # Constraint # added constraint: constraint((T0301)I174.CB, (T0301)A211.CB) [> 3.2858 = 5.4763 < 7.1192] w=0.2720 to align # Constraint # added constraint: constraint((T0301)M316.CB, (T0301)P352.CB) [> 3.7642 = 6.2737 < 8.1558] w=0.2720 to align # Constraint # added constraint: constraint((T0301)I136.CB, (T0301)A147.CB) [> 3.5582 = 5.9303 < 7.7094] w=0.2718 to align # Constraint # added constraint: constraint((T0301)V198.CB, (T0301)A211.CB) [> 4.3754 = 7.2924 < 9.4801] w=0.2718 to align # Constraint # added constraint: constraint((T0301)I278.CB, (T0301)V304.CB) [> 3.4515 = 5.7525 < 7.4782] w=0.2718 to align # Constraint # added constraint: constraint((T0301)A360.CB, (T0301)T372.CB) [> 4.4412 = 7.4021 < 9.6227] w=0.2718 to align # Constraint # added constraint: constraint((T0301)N215.CB, (T0301)A323.CB) [> 3.6838 = 6.1397 < 7.9816] w=0.2717 to align # Constraint # added constraint: constraint((T0301)V304.CB, (T0301)P352.CB) [> 4.1312 = 6.8853 < 8.9509] w=0.2713 to align # Constraint # added constraint: constraint((T0301)Y88.CB, (T0301)F97.CB) [> 4.1572 = 6.9286 < 9.0072] w=0.2712 to align # Constraint # added constraint: constraint((T0301)K277.CB, (T0301)M317.CB) [> 4.1671 = 6.9452 < 9.0288] w=0.2710 to align # Constraint # added constraint: constraint((T0301)I324.CB, (T0301)A360.CB) [> 3.7880 = 6.3133 < 8.2072] w=0.2710 to align # Constraint # added constraint: constraint((T0301)Y88.CB, (T0301)I136.CB) [> 4.6602 = 7.7670 < 10.0971] w=0.2708 to align # Constraint # added constraint: constraint((T0301)P150.CB, (T0301)F162.CB) [> 3.8792 = 6.4653 < 8.4049] w=0.2679 to align # Constraint # added constraint: constraint((T0301)V358.CB, (T0301)T370.CB) [> 4.2762 = 7.1270 < 9.2651] w=0.2636 to align # Constraint # added constraint: constraint((T0301)F178.CB, (T0301)W369.CB) [> 2.9702 = 4.9503 < 6.4353] w=0.2618 to align # Constraint # added constraint: constraint((T0301)L179.CB, (T0301)G367.CA) [> 4.5533 = 7.5889 < 9.8655] w=0.2618 to align # Constraint # added constraint: constraint((T0301)L179.CB, (T0301)E368.CB) [> 2.6894 = 4.4823 < 5.8270] w=0.2618 to align # Constraint # added constraint: constraint((T0301)L179.CB, (T0301)W369.CB) [> 4.1462 = 6.9103 < 8.9834] w=0.2618 to align # Constraint # added constraint: constraint((T0301)P284.CB, (T0301)D301.CB) [> 3.3753 = 5.6255 < 7.3132] w=0.2603 to align # Constraint # added constraint: constraint((T0301)G112.CA, (T0301)I136.CB) [> 4.2489 = 7.0815 < 9.2059] w=0.2599 to align # Constraint # added constraint: constraint((T0301)A323.CB, (T0301)F349.CB) [> 4.0924 = 6.8207 < 8.8669] w=0.2587 to align # Constraint # added constraint: constraint((T0301)M213.CB, (T0301)L262.CB) [> 3.9929 = 6.6549 < 8.6513] w=0.2585 to align # Constraint # added constraint: constraint((T0301)A327.CB, (T0301)V347.CB) [> 4.0643 = 6.7738 < 8.8060] w=0.2582 to align # Constraint # added constraint: constraint((T0301)R42.CB, (T0301)Y54.CB) [> 4.2283 = 7.0471 < 9.1613] w=0.2582 to align # Constraint # added constraint: constraint((T0301)G325.CA, (T0301)F349.CB) [> 4.3458 = 7.2429 < 9.4158] w=0.2582 to align # Constraint # added constraint: constraint((T0301)P150.CB, (T0301)E163.CB) [> 4.6084 = 7.6807 < 9.9850] w=0.2574 to align # Constraint # added constraint: constraint((T0301)V149.CB, (T0301)F162.CB) [> 3.1868 = 5.3113 < 6.9047] w=0.2574 to align # Constraint # added constraint: constraint((T0301)I146.CB, (T0301)D165.CB) [> 2.9147 = 4.8579 < 6.3153] w=0.2574 to align # Constraint # added constraint: constraint((T0301)I145.CB, (T0301)G166.CA) [> 3.6434 = 6.0724 < 7.8941] w=0.2574 to align # Constraint # added constraint: constraint((T0301)I145.CB, (T0301)D165.CB) [> 4.0040 = 6.6733 < 8.6753] w=0.2574 to align # Constraint # added constraint: constraint((T0301)A211.CB, (T0301)N224.CB) [> 4.1353 = 6.8922 < 8.9598] w=0.2572 to align # Constraint # added constraint: constraint((T0301)T208.CB, (T0301)N224.CB) [> 2.4622 = 4.1038 < 5.3349] w=0.2571 to align # Constraint # added constraint: constraint((T0301)N215.CB, (T0301)T326.CB) [> 4.3033 = 7.1721 < 9.3238] w=0.2571 to align # Constraint # added constraint: constraint((T0301)A320.CB, (T0301)V358.CB) [> 3.4098 = 5.6830 < 7.3879] w=0.2562 to align # Constraint # added constraint: constraint((T0301)S19.CB, (T0301)S353.CB) [> 3.7413 = 6.2354 < 8.1061] w=0.2562 to align # Constraint # added constraint: constraint((T0301)G16.CA, (T0301)A113.CB) [> 4.4123 = 7.3539 < 9.5601] w=0.2555 to align # Constraint # added constraint: constraint((T0301)R135.CB, (T0301)A147.CB) [> 3.8630 = 6.4384 < 8.3699] w=0.2546 to align # Constraint # added constraint: constraint((T0301)V22.CB, (T0301)V47.CB) [> 3.4504 = 5.7507 < 7.4759] w=0.2546 to align # Constraint # added constraint: constraint((T0301)K143.CB, (T0301)L179.CB) [> 3.1121 = 5.1869 < 6.7429] w=0.2481 to align # Constraint # added constraint: constraint((T0301)R25.CB, (T0301)L120.CB) [> 4.0690 = 6.7816 < 8.8161] w=0.2481 to align # Constraint # added constraint: constraint((T0301)I214.CB, (T0301)V322.CB) [> 3.0754 = 5.1258 < 6.6635] w=0.2478 to align # Constraint # added constraint: constraint((T0301)H313.CB, (T0301)S353.CB) [> 4.3472 = 7.2453 < 9.4189] w=0.2476 to align # Constraint # added constraint: constraint((T0301)A362.CB, (T0301)T372.CB) [> 4.0199 = 6.6998 < 8.7097] w=0.2473 to align # Constraint # added constraint: constraint((T0301)N103.CB, (T0301)N140.CB) [> 3.3992 = 5.6653 < 7.3649] w=0.2473 to align # Constraint # added constraint: constraint((T0301)M317.CB, (T0301)F349.CB) [> 3.8815 = 6.4692 < 8.4100] w=0.2471 to align # Constraint # added constraint: constraint((T0301)P10.CB, (T0301)L26.CB) [> 3.0696 = 5.1161 < 6.6509] w=0.2470 to align # Constraint # added constraint: constraint((T0301)A225.CB, (T0301)A279.CB) [> 3.5631 = 5.9385 < 7.7201] w=0.2470 to align # Constraint # added constraint: constraint((T0301)P276.CB, (T0301)A306.CB) [> 3.4808 = 5.8013 < 7.5417] w=0.2470 to align # Constraint # added constraint: constraint((T0301)P276.CB, (T0301)M317.CB) [> 4.2093 = 7.0155 < 9.1201] w=0.2470 to align # Constraint # added constraint: constraint((T0301)P276.CB, (T0301)A320.CB) [> 3.9592 = 6.5987 < 8.5784] w=0.2470 to align # Constraint # added constraint: constraint((T0301)I278.CB, (T0301)M317.CB) [> 4.1625 = 6.9376 < 9.0189] w=0.2470 to align # Constraint # added constraint: constraint((T0301)I278.CB, (T0301)A320.CB) [> 2.6807 = 4.4679 < 5.8082] w=0.2470 to align # Constraint # added constraint: constraint((T0301)Y88.CB, (T0301)V98.CB) [> 2.9056 = 4.8427 < 6.2955] w=0.2468 to align # Constraint # added constraint: constraint((T0301)V281.CB, (T0301)R305.CB) [> 4.4755 = 7.4592 < 9.6969] w=0.2467 to align # Constraint # added constraint: constraint((T0301)M316.CB, (T0301)G354.CA) [> 3.0580 = 5.0967 < 6.6257] w=0.2466 to align # Constraint # added constraint: constraint((T0301)A306.CB, (T0301)P352.CB) [> 4.6127 = 7.6878 < 9.9941] w=0.2464 to align # Constraint # added constraint: constraint((T0301)V91.CB, (T0301)I136.CB) [> 4.3684 = 7.2807 < 9.4649] w=0.2463 to align # Constraint # added constraint: constraint((T0301)V91.CB, (T0301)S108.CB) [> 4.3992 = 7.3320 < 9.5316] w=0.2463 to align # Constraint # added constraint: constraint((T0301)V322.CB, (T0301)A360.CB) [> 3.4166 = 5.6944 < 7.4027] w=0.2462 to align # Constraint # added constraint: constraint((T0301)M316.CB, (T0301)F349.CB) [> 2.7388 = 4.5646 < 5.9340] w=0.2460 to align # Constraint # added constraint: constraint((T0301)A297.CB, (T0301)V347.CB) [> 4.6807 = 7.8011 < 10.1414] w=0.2425 to align # Constraint # added constraint: constraint((T0301)L176.CB, (T0301)T370.CB) [> 4.0647 = 6.7744 < 8.8068] w=0.2425 to align # Constraint # added constraint: constraint((T0301)V175.CB, (T0301)V371.CB) [> 4.3400 = 7.2333 < 9.4033] w=0.2425 to align # Constraint # added constraint: constraint((T0301)V175.CB, (T0301)T370.CB) [> 3.3166 = 5.5276 < 7.1859] w=0.2425 to align # Constraint # added constraint: constraint((T0301)V281.CB, (T0301)A327.CB) [> 4.2404 = 7.0673 < 9.1875] w=0.2410 to align # Constraint # added constraint: constraint((T0301)F209.CB, (T0301)F222.CB) [> 4.3148 = 7.1913 < 9.3487] w=0.2410 to align # Constraint # added constraint: constraint((T0301)V167.CB, (T0301)A216.CB) [> 2.6351 = 4.3918 < 5.7094] w=0.2410 to align # Constraint # added constraint: constraint((T0301)G89.CA, (T0301)V134.CB) [> 3.5461 = 5.9102 < 7.6832] w=0.2410 to align # Constraint # added constraint: constraint((T0301)Y88.CB, (T0301)V134.CB) [> 4.5430 = 7.5718 < 9.8433] w=0.2410 to align # Constraint # added constraint: constraint((T0301)L334.CB, (T0301)V347.CB) [> 3.7387 = 6.2311 < 8.1005] w=0.2403 to align # Constraint # added constraint: constraint((T0301)G112.CA, (T0301)F162.CB) [> 3.4269 = 5.7114 < 7.4248] w=0.2396 to align # Constraint # added constraint: constraint((T0301)T109.CB, (T0301)L164.CB) [> 3.9686 = 6.6143 < 8.5985] w=0.2396 to align # Constraint # added constraint: constraint((T0301)S108.CB, (T0301)L164.CB) [> 3.8759 = 6.4599 < 8.3978] w=0.2396 to align # Constraint # added constraint: constraint((T0301)W100.CB, (T0301)V167.CB) [> 3.7428 = 6.2380 < 8.1094] w=0.2396 to align # Constraint # added constraint: constraint((T0301)F209.CB, (T0301)P331.CB) [> 2.8904 = 4.8174 < 6.2626] w=0.2394 to align # Constraint # added constraint: constraint((T0301)E173.CB, (T0301)K210.CB) [> 3.7330 = 6.2217 < 8.0882] w=0.2385 to align # Constraint # added constraint: constraint((T0301)E173.CB, (T0301)A211.CB) [> 4.1050 = 6.8416 < 8.8941] w=0.2385 to align # Constraint # added constraint: constraint((T0301)A270.CB, (T0301)M309.CB) [> 2.5314 = 4.2189 < 5.4846] w=0.2356 to align # Constraint # added constraint: constraint((T0301)T109.CB, (T0301)E158.CB) [> 3.7044 = 6.1739 < 8.0261] w=0.2356 to align # Constraint # added constraint: constraint((T0301)A327.CB, (T0301)A339.CB) [> 4.4634 = 7.4389 < 9.6706] w=0.2355 to align # Constraint # added constraint: constraint((T0301)C132.CB, (T0301)F162.CB) [> 4.4892 = 7.4820 < 9.7266] w=0.2322 to align # Constraint # added constraint: constraint((T0301)F23.CB, (T0301)L107.CB) [> 4.5396 = 7.5660 < 9.8358] w=0.2314 to align # Constraint # added constraint: constraint((T0301)T12.CB, (T0301)F24.CB) [> 4.5399 = 7.5665 < 9.8365] w=0.2308 to align # Constraint # added constraint: constraint((T0301)L303.CB, (T0301)V347.CB) [> 4.1432 = 6.9053 < 8.9769] w=0.2303 to align # Constraint # added constraint: constraint((T0301)L303.CB, (T0301)R348.CB) [> 3.3907 = 5.6511 < 7.3465] w=0.2303 to align # Constraint # added constraint: constraint((T0301)V304.CB, (T0301)V347.CB) [> 3.9172 = 6.5286 < 8.4872] w=0.2303 to align # Constraint # added constraint: constraint((T0301)V304.CB, (T0301)R348.CB) [> 4.0493 = 6.7488 < 8.7735] w=0.2303 to align # Constraint # added constraint: constraint((T0301)V304.CB, (T0301)M316.CB) [> 4.0167 = 6.6946 < 8.7029] w=0.2303 to align # Constraint # added constraint: constraint((T0301)I218.CB, (T0301)T275.CB) [> 4.2565 = 7.0941 < 9.2223] w=0.2300 to align # Constraint # added constraint: constraint((T0301)A111.CB, (T0301)I136.CB) [> 3.5650 = 5.9416 < 7.7241] w=0.2266 to align # Constraint # added constraint: constraint((T0301)L43.CB, (T0301)I73.CB) [> 4.7086 = 7.8477 < 10.2021] w=0.2263 to align # Constraint # added constraint: constraint((T0301)A282.CB, (T0301)V304.CB) [> 4.4749 = 7.4582 < 9.6957] w=0.2260 to align # Constraint # added constraint: constraint((T0301)F349.CB, (T0301)G359.CA) [> 4.0321 = 6.7201 < 8.7361] w=0.2257 to align # Constraint # added constraint: constraint((T0301)R236.CB, (T0301)A282.CB) [> 3.1896 = 5.3159 < 6.9107] w=0.2251 to align # Constraint # added constraint: constraint((T0301)R25.CB, (T0301)S75.CB) [> 4.2941 = 7.1569 < 9.3039] w=0.2239 to align # Constraint # added constraint: constraint((T0301)A211.CB, (T0301)I278.CB) [> 4.0112 = 6.6854 < 8.6910] w=0.2233 to align # Constraint # added constraint: constraint((T0301)F44.CB, (T0301)A56.CB) [> 4.5072 = 7.5119 < 9.7655] w=0.2233 to align # Constraint # added constraint: constraint((T0301)F44.CB, (T0301)H57.CB) [> 4.4898 = 7.4831 < 9.7280] w=0.2233 to align # Constraint # added constraint: constraint((T0301)S108.CB, (T0301)M317.CB) [> 4.1062 = 6.8436 < 8.8967] w=0.2233 to align # Constraint # added constraint: constraint((T0301)S182.CB, (T0301)G217.CA) [> 4.3293 = 7.2155 < 9.3801] w=0.2233 to align # Constraint # added constraint: constraint((T0301)D183.CB, (T0301)I214.CB) [> 3.8900 = 6.4834 < 8.4284] w=0.2233 to align # Constraint # added constraint: constraint((T0301)D187.CB, (T0301)N215.CB) [> 3.8995 = 6.4992 < 8.4489] w=0.2233 to align # Constraint # added constraint: constraint((T0301)G188.CA, (T0301)M213.CB) [> 4.2655 = 7.1092 < 9.2420] w=0.2233 to align # Constraint # added constraint: constraint((T0301)G188.CA, (T0301)I214.CB) [> 4.6349 = 7.7248 < 10.0422] w=0.2233 to align # Constraint # added constraint: constraint((T0301)G188.CA, (T0301)N215.CB) [> 2.4288 = 4.0481 < 5.2625] w=0.2233 to align # Constraint # added constraint: constraint((T0301)G188.CA, (T0301)P219.CB) [> 3.1252 = 5.2086 < 6.7712] w=0.2233 to align # Constraint # added constraint: constraint((T0301)G189.CA, (T0301)N215.CB) [> 4.1330 = 6.8884 < 8.9549] w=0.2233 to align # Constraint # added constraint: constraint((T0301)G189.CA, (T0301)P219.CB) [> 3.4378 = 5.7297 < 7.4486] w=0.2233 to align # Constraint # added constraint: constraint((T0301)A11.CB, (T0301)A56.CB) [> 4.4735 = 7.4559 < 9.6927] w=0.2233 to align # Constraint # added constraint: constraint((T0301)Y13.CB, (T0301)A56.CB) [> 4.3886 = 7.3143 < 9.5086] w=0.2233 to align # Constraint # added constraint: constraint((T0301)G16.CA, (T0301)S353.CB) [> 4.3452 = 7.2420 < 9.4146] w=0.2233 to align # Constraint # added constraint: constraint((T0301)L29.CB, (T0301)L120.CB) [> 3.8361 = 6.3936 < 8.3117] w=0.2233 to align # Constraint # added constraint: constraint((T0301)C33.CB, (T0301)I73.CB) [> 3.6019 = 6.0033 < 7.8042] w=0.2233 to align # Constraint # added constraint: constraint((T0301)D41.CB, (T0301)P51.CB) [> 4.0739 = 6.7898 < 8.8268] w=0.2233 to align # Constraint # added constraint: constraint((T0301)A306.CB, (T0301)T319.CB) [> 2.3576 = 3.9293 < 5.1081] w=0.2233 to align # Constraint # added constraint: constraint((T0301)H314.CB, (T0301)G354.CA) [> 4.7131 = 7.8551 < 10.2117] w=0.2233 to align # Constraint # added constraint: constraint((T0301)M317.CB, (T0301)V371.CB) [> 3.4471 = 5.7452 < 7.4688] w=0.2233 to align # Constraint # added constraint: constraint((T0301)G318.CA, (T0301)V371.CB) [> 4.3118 = 7.1864 < 9.3423] w=0.2233 to align # Constraint # added constraint: constraint((T0301)A320.CB, (T0301)G350.CA) [> 4.6497 = 7.7494 < 10.0743] w=0.2233 to align # Constraint # added constraint: constraint((T0301)A320.CB, (T0301)L356.CB) [> 2.9563 = 4.9271 < 6.4053] w=0.2233 to align # Constraint # added constraint: constraint((T0301)F209.CB, (T0301)Q245.CB) [> 4.1220 = 6.8700 < 8.9311] w=0.2233 to align # Constraint # added constraint: constraint((T0301)M213.CB, (T0301)T326.CB) [> 4.7196 = 7.8660 < 10.2258] w=0.2233 to align # Constraint # added constraint: constraint((T0301)T220.CB, (T0301)V322.CB) [> 2.0630 = 3.4383 < 4.4697] w=0.2233 to align # Constraint # added constraint: constraint((T0301)F222.CB, (T0301)V322.CB) [> 3.4880 = 5.8132 < 7.5572] w=0.2233 to align # Constraint # added constraint: constraint((T0301)F222.CB, (T0301)T326.CB) [> 2.6788 = 4.4646 < 5.8039] w=0.2233 to align # Constraint # added constraint: constraint((T0301)V281.CB, (T0301)L294.CB) [> 3.9567 = 6.5945 < 8.5729] w=0.2233 to align # Constraint # added constraint: constraint((T0301)A279.CB, (T0301)V322.CB) [> 3.6139 = 6.0232 < 7.8302] w=0.2233 to align # Constraint # added constraint: constraint((T0301)K277.CB, (T0301)V322.CB) [> 4.5866 = 7.6443 < 9.9376] w=0.2233 to align # Constraint # added constraint: constraint((T0301)K277.CB, (T0301)M316.CB) [> 4.0387 = 6.7312 < 8.7506] w=0.2233 to align # Constraint # added constraint: constraint((T0301)R231.CB, (T0301)F280.CB) [> 2.9168 = 4.8614 < 6.3198] w=0.2233 to align # Constraint # added constraint: constraint((T0301)F192.CB, (T0301)M213.CB) [> 3.9175 = 6.5291 < 8.4878] w=0.2233 to align # Constraint # added constraint: constraint((T0301)P219.CB, (T0301)R272.CB) [> 3.7944 = 6.3240 < 8.2212] w=0.2233 to align # Constraint # added constraint: constraint((T0301)Q90.CB, (T0301)S101.CB) [> 3.4281 = 5.7136 < 7.4276] w=0.2233 to align # Constraint # added constraint: constraint((T0301)L87.CB, (T0301)W100.CB) [> 3.6192 = 6.0321 < 7.8417] w=0.2233 to align # Constraint # added constraint: constraint((T0301)V221.CB, (T0301)L262.CB) [> 4.1498 = 6.9164 < 8.9913] w=0.2230 to align # Constraint # added constraint: constraint((T0301)I73.CB, (T0301)D85.CB) [> 3.4225 = 5.7042 < 7.4155] w=0.2229 to align # Constraint # added constraint: constraint((T0301)T144.CB, (T0301)L179.CB) [> 4.5435 = 7.5725 < 9.8443] w=0.2226 to align # Constraint # added constraint: constraint((T0301)V175.CB, (T0301)T372.CB) [> 2.8081 = 4.6801 < 6.0842] w=0.2226 to align # Constraint # added constraint: constraint((T0301)D85.CB, (T0301)I136.CB) [> 4.5576 = 7.5960 < 9.8748] w=0.2224 to align # Constraint # added constraint: constraint((T0301)T194.CB, (T0301)M213.CB) [> 4.3313 = 7.2188 < 9.3844] w=0.2222 to align # Constraint # added constraint: constraint((T0301)G112.CA, (T0301)V121.CB) [> 4.5499 = 7.5831 < 9.8581] w=0.2222 to align # Constraint # added constraint: constraint((T0301)N196.CB, (T0301)T212.CB) [> 3.8717 = 6.4528 < 8.3886] w=0.2222 to align # Constraint # added constraint: constraint((T0301)L201.CB, (T0301)I252.CB) [> 3.7968 = 6.3280 < 8.2263] w=0.2222 to align # Constraint # added constraint: constraint((T0301)R253.CB, (T0301)P276.CB) [> 4.5061 = 7.5102 < 9.7632] w=0.2221 to align # Constraint # added constraint: constraint((T0301)G217.CA, (T0301)A323.CB) [> 4.5674 = 7.6124 < 9.8961] w=0.2221 to align # Constraint # added constraint: constraint((T0301)P170.CB, (T0301)N215.CB) [> 2.5561 = 4.2602 < 5.5383] w=0.2217 to align # Constraint # added constraint: constraint((T0301)P170.CB, (T0301)I214.CB) [> 4.1408 = 6.9014 < 8.9718] w=0.2217 to align # Constraint # added constraint: constraint((T0301)F169.CB, (T0301)T326.CB) [> 3.9697 = 6.6162 < 8.6011] w=0.2217 to align # Constraint # added constraint: constraint((T0301)F169.CB, (T0301)A323.CB) [> 3.0055 = 5.0091 < 6.5118] w=0.2217 to align # Constraint # added constraint: constraint((T0301)F169.CB, (T0301)V322.CB) [> 3.9829 = 6.6381 < 8.6295] w=0.2217 to align # Constraint # added constraint: constraint((T0301)F169.CB, (T0301)A216.CB) [> 2.4070 = 4.0117 < 5.2151] w=0.2217 to align # Constraint # added constraint: constraint((T0301)F169.CB, (T0301)N215.CB) [> 3.4135 = 5.6891 < 7.3958] w=0.2217 to align # Constraint # added constraint: constraint((T0301)T168.CB, (T0301)A216.CB) [> 4.3617 = 7.2695 < 9.4503] w=0.2217 to align # Constraint # added constraint: constraint((T0301)V167.CB, (T0301)G217.CA) [> 4.1272 = 6.8787 < 8.9423] w=0.2217 to align # Constraint # added constraint: constraint((T0301)G166.CA, (T0301)V322.CB) [> 3.5068 = 5.8446 < 7.5980] w=0.2217 to align # Constraint # added constraint: constraint((T0301)G166.CA, (T0301)A216.CB) [> 4.1746 = 6.9576 < 9.0449] w=0.2217 to align # Constraint # added constraint: constraint((T0301)A113.CB, (T0301)F162.CB) [> 3.3235 = 5.5392 < 7.2009] w=0.2217 to align # Constraint # added constraint: constraint((T0301)G110.CA, (T0301)F162.CB) [> 4.6049 = 7.6748 < 9.9773] w=0.2217 to align # Constraint # added constraint: constraint((T0301)T109.CB, (T0301)F162.CB) [> 3.4553 = 5.7588 < 7.4864] w=0.2217 to align # Constraint # added constraint: constraint((T0301)G105.CA, (T0301)L164.CB) [> 4.3819 = 7.3032 < 9.4942] w=0.2217 to align # Constraint # added constraint: constraint((T0301)D99.CB, (T0301)G217.CA) [> 3.3975 = 5.6626 < 7.3613] w=0.2217 to align # Constraint # added constraint: constraint((T0301)G89.CA, (T0301)R135.CB) [> 3.8929 = 6.4881 < 8.4346] w=0.2217 to align # Constraint # added constraint: constraint((T0301)Y88.CB, (T0301)R135.CB) [> 2.7027 = 4.5046 < 5.8560] w=0.2217 to align # Constraint # added constraint: constraint((T0301)V22.CB, (T0301)A115.CB) [> 4.3330 = 7.2217 < 9.3882] w=0.2217 to align # Constraint # added constraint: constraint((T0301)V304.CB, (T0301)V358.CB) [> 4.7422 = 7.9037 < 10.2748] w=0.2217 to align # Constraint # added constraint: constraint((T0301)I214.CB, (T0301)A320.CB) [> 4.5236 = 7.5394 < 9.8012] w=0.2217 to align # Constraint # added constraint: constraint((T0301)K210.CB, (T0301)P331.CB) [> 4.3303 = 7.2173 < 9.3824] w=0.2217 to align # Constraint # added constraint: constraint((T0301)F209.CB, (T0301)A327.CB) [> 4.2397 = 7.0662 < 9.1860] w=0.2217 to align # Constraint # added constraint: constraint((T0301)E173.CB, (T0301)M213.CB) [> 4.5153 = 7.5256 < 9.7832] w=0.2217 to align # Constraint # added constraint: constraint((T0301)E173.CB, (T0301)T212.CB) [> 3.4014 = 5.6690 < 7.3696] w=0.2217 to align # Constraint # added constraint: constraint((T0301)A172.CB, (T0301)M213.CB) [> 3.7568 = 6.2613 < 8.1397] w=0.2217 to align # Constraint # added constraint: constraint((T0301)A172.CB, (T0301)T212.CB) [> 3.9909 = 6.6515 < 8.6469] w=0.2217 to align # Constraint # added constraint: constraint((T0301)A171.CB, (T0301)A323.CB) [> 4.4394 = 7.3989 < 9.6186] w=0.2217 to align # Constraint # added constraint: constraint((T0301)A171.CB, (T0301)N215.CB) [> 4.1789 = 6.9648 < 9.0542] w=0.2217 to align # Constraint # added constraint: constraint((T0301)A171.CB, (T0301)I214.CB) [> 2.8153 = 4.6921 < 6.0997] w=0.2217 to align # Constraint # added constraint: constraint((T0301)A171.CB, (T0301)M213.CB) [> 3.8828 = 6.4714 < 8.4128] w=0.2217 to align # Constraint # added constraint: constraint((T0301)A171.CB, (T0301)T212.CB) [> 3.0516 = 5.0859 < 6.6117] w=0.2217 to align # Constraint # added constraint: constraint((T0301)P170.CB, (T0301)A216.CB) [> 4.4224 = 7.3706 < 9.5818] w=0.2217 to align # Constraint # added constraint: constraint((T0301)P266.CB, (T0301)M309.CB) [> 3.6704 = 6.1174 < 7.9526] w=0.2217 to align # Constraint # added constraint: constraint((T0301)D94.CB, (T0301)L312.CB) [> 3.6894 = 6.1489 < 7.9936] w=0.2215 to align # Constraint # added constraint: constraint((T0301)I93.CB, (T0301)L312.CB) [> 3.8459 = 6.4099 < 8.3329] w=0.2215 to align # Constraint # added constraint: constraint((T0301)V322.CB, (T0301)V371.CB) [> 3.4686 = 5.7811 < 7.5154] w=0.2213 to align # Constraint # added constraint: constraint((T0301)P284.CB, (T0301)L302.CB) [> 3.6818 = 6.1363 < 7.9772] w=0.2116 to align # Constraint # added constraint: constraint((T0301)H148.CB, (T0301)F162.CB) [> 3.8853 = 6.4756 < 8.4182] w=0.2114 to align # Constraint # added constraint: constraint((T0301)Y13.CB, (T0301)T68.CB) [> 4.3866 = 7.3110 < 9.5043] w=0.2065 to align # Constraint # added constraint: constraint((T0301)T12.CB, (T0301)R25.CB) [> 3.7438 = 6.2397 < 8.1116] w=0.2062 to align # Constraint # added constraint: constraint((T0301)R305.CB, (T0301)G350.CA) [> 3.8761 = 6.4602 < 8.3982] w=0.2055 to align # Constraint # added constraint: constraint((T0301)R305.CB, (T0301)F349.CB) [> 4.2038 = 7.0063 < 9.1082] w=0.2055 to align # Constraint # added constraint: constraint((T0301)D301.CB, (T0301)A346.CB) [> 2.8893 = 4.8155 < 6.2602] w=0.2055 to align # Constraint # added constraint: constraint((T0301)P150.CB, (T0301)V175.CB) [> 4.1301 = 6.8834 < 8.9485] w=0.2012 to align # Constraint # added constraint: constraint((T0301)R357.CB, (T0301)T372.CB) [> 2.6873 = 4.4788 < 5.8224] w=0.2004 to align # Constraint # added constraint: constraint((T0301)G188.CA, (T0301)H274.CB) [> 4.7307 = 7.8845 < 10.2498] w=0.1985 to align # Constraint # added constraint: constraint((T0301)G189.CA, (T0301)Q273.CB) [> 3.7138 = 6.1897 < 8.0466] w=0.1985 to align # Constraint # added constraint: constraint((T0301)G189.CA, (T0301)H274.CB) [> 3.6376 = 6.0627 < 7.8815] w=0.1985 to align # Constraint # added constraint: constraint((T0301)S308.CB, (T0301)T319.CB) [> 4.3801 = 7.3001 < 9.4902] w=0.1985 to align # Constraint # added constraint: constraint((T0301)V304.CB, (T0301)A323.CB) [> 3.2434 = 5.4057 < 7.0273] w=0.1985 to align # Constraint # added constraint: constraint((T0301)L302.CB, (T0301)A327.CB) [> 4.0742 = 6.7903 < 8.8273] w=0.1985 to align # Constraint # added constraint: constraint((T0301)G229.CA, (T0301)R305.CB) [> 4.6487 = 7.7478 < 10.0722] w=0.1985 to align # Constraint # added constraint: constraint((T0301)P219.CB, (T0301)M309.CB) [> 4.3980 = 7.3300 < 9.5290] w=0.1985 to align # Constraint # added constraint: constraint((T0301)S19.CB, (T0301)H313.CB) [> 3.4348 = 5.7246 < 7.4420] w=0.1981 to align # Constraint # added constraint: constraint((T0301)V149.CB, (T0301)E173.CB) [> 4.6957 = 7.8262 < 10.1741] w=0.1981 to align # Constraint # added constraint: constraint((T0301)A329.CB, (T0301)S345.CB) [> 4.0484 = 6.7474 < 8.7716] w=0.1978 to align # Constraint # added constraint: constraint((T0301)G89.CA, (T0301)V98.CB) [> 3.3549 = 5.5914 < 7.2688] w=0.1978 to align # Constraint # added constraint: constraint((T0301)V22.CB, (T0301)L107.CB) [> 4.0890 = 6.8150 < 8.8595] w=0.1977 to align # Constraint # added constraint: constraint((T0301)V22.CB, (T0301)S69.CB) [> 3.6372 = 6.0620 < 7.8806] w=0.1977 to align # Constraint # added constraint: constraint((T0301)F280.CB, (T0301)F349.CB) [> 4.5134 = 7.5222 < 9.7789] w=0.1977 to align # Constraint # added constraint: constraint((T0301)V281.CB, (T0301)F349.CB) [> 4.6160 = 7.6932 < 10.0012] w=0.1975 to align # Constraint # added constraint: constraint((T0301)I9.CB, (T0301)R25.CB) [> 3.4229 = 5.7049 < 7.4163] w=0.1975 to align # Constraint # added constraint: constraint((T0301)F349.CB, (T0301)A360.CB) [> 3.8204 = 6.3674 < 8.2776] w=0.1975 to align # Constraint # added constraint: constraint((T0301)R253.CB, (T0301)I278.CB) [> 3.4441 = 5.7402 < 7.4623] w=0.1974 to align # Constraint # added constraint: constraint((T0301)V203.CB, (T0301)I252.CB) [> 3.3994 = 5.6657 < 7.3654] w=0.1974 to align # Constraint # added constraint: constraint((T0301)G195.CA, (T0301)N215.CB) [> 4.0748 = 6.7913 < 8.8286] w=0.1974 to align # Constraint # added constraint: constraint((T0301)G195.CA, (T0301)I214.CB) [> 3.5956 = 5.9927 < 7.7905] w=0.1974 to align # Constraint # added constraint: constraint((T0301)G195.CA, (T0301)M213.CB) [> 3.0969 = 5.1615 < 6.7099] w=0.1974 to align # Constraint # added constraint: constraint((T0301)G195.CA, (T0301)T212.CB) [> 4.4591 = 7.4318 < 9.6614] w=0.1974 to align # Constraint # added constraint: constraint((T0301)A328.CB, (T0301)L337.CB) [> 4.1313 = 6.8854 < 8.9511] w=0.1973 to align # Constraint # added constraint: constraint((T0301)L116.CB, (T0301)F162.CB) [> 4.1658 = 6.9430 < 9.0259] w=0.1970 to align # Constraint # added constraint: constraint((T0301)A269.CB, (T0301)S308.CB) [> 4.4894 = 7.4823 < 9.7270] w=0.1969 to align # Constraint # added constraint: constraint((T0301)I252.CB, (T0301)I278.CB) [> 3.2880 = 5.4799 < 7.1239] w=0.1918 to align # Constraint # added constraint: constraint((T0301)G261.CA, (T0301)T275.CB) [> 3.9024 = 6.5039 < 8.4551] w=0.1911 to align # Constraint # added constraint: constraint((T0301)A306.CB, (T0301)F349.CB) [> 4.3021 = 7.1702 < 9.3212] w=0.1908 to align # Constraint # added constraint: constraint((T0301)D199.CB, (T0301)V221.CB) [> 4.4555 = 7.4259 < 9.6536] w=0.1897 to align # Constraint # added constraint: constraint((T0301)W137.CB, (T0301)I146.CB) [> 4.1634 = 6.9390 < 9.0207] w=0.1877 to align # Constraint # added constraint: constraint((T0301)G359.CA, (T0301)V371.CB) [> 4.0792 = 6.7987 < 8.8383] w=0.1876 to align # Constraint # added constraint: constraint((T0301)A190.CB, (T0301)D199.CB) [> 4.6160 = 7.6933 < 10.0012] w=0.1873 to align # Constraint # added constraint: constraint((T0301)P266.CB, (T0301)L307.CB) [> 4.2859 = 7.1431 < 9.2860] w=0.1863 to align # Constraint # added constraint: constraint((T0301)K264.CB, (T0301)L307.CB) [> 3.2922 = 5.4869 < 7.1330] w=0.1863 to align # Constraint # added constraint: constraint((T0301)M213.CB, (T0301)M260.CB) [> 4.0748 = 6.7913 < 8.8287] w=0.1852 to align # Constraint # added constraint: constraint((T0301)K76.CB, (T0301)L87.CB) [> 3.8269 = 6.3782 < 8.2916] w=0.1847 to align # Constraint # added constraint: constraint((T0301)L74.CB, (T0301)L87.CB) [> 2.9227 = 4.8712 < 6.3326] w=0.1847 to align # Constraint # added constraint: constraint((T0301)N106.CB, (T0301)T319.CB) [> 4.5569 = 7.5949 < 9.8733] w=0.1841 to align # Constraint # added constraint: constraint((T0301)H148.CB, (T0301)L164.CB) [> 4.7571 = 7.9286 < 10.3071] w=0.1831 to align # Constraint # added constraint: constraint((T0301)H148.CB, (T0301)E163.CB) [> 2.7954 = 4.6591 < 6.0568] w=0.1831 to align # Constraint # added constraint: constraint((T0301)A147.CB, (T0301)L164.CB) [> 3.0371 = 5.0618 < 6.5804] w=0.1831 to align # Constraint # added constraint: constraint((T0301)A147.CB, (T0301)E163.CB) [> 4.0648 = 6.7748 < 8.8072] w=0.1831 to align # Constraint # added constraint: constraint((T0301)T194.CB, (T0301)I330.CB) [> 3.0596 = 5.0993 < 6.6291] w=0.1826 to align # Constraint # added constraint: constraint((T0301)T194.CB, (T0301)T326.CB) [> 3.1024 = 5.1707 < 6.7219] w=0.1826 to align # Constraint # added constraint: constraint((T0301)L302.CB, (T0301)A321.CB) [> 4.1338 = 6.8896 < 8.9565] w=0.1820 to align # Constraint # added constraint: constraint((T0301)R25.CB, (T0301)A115.CB) [> 4.4883 = 7.4805 < 9.7246] w=0.1809 to align # Constraint # added constraint: constraint((T0301)S69.CB, (T0301)H313.CB) [> 3.7576 = 6.2626 < 8.1413] w=0.1770 to align # Constraint # added constraint: constraint((T0301)S182.CB, (T0301)V221.CB) [> 3.8523 = 6.4206 < 8.3468] w=0.1764 to align # Constraint # added constraint: constraint((T0301)R348.CB, (T0301)A360.CB) [> 4.3594 = 7.2656 < 9.4453] w=0.1762 to align # Constraint # added constraint: constraint((T0301)Y13.CB, (T0301)H57.CB) [> 4.6885 = 7.8142 < 10.1585] w=0.1737 to align # Constraint # added constraint: constraint((T0301)D28.CB, (T0301)K76.CB) [> 4.6256 = 7.7094 < 10.0222] w=0.1737 to align # Constraint # added constraint: constraint((T0301)A190.CB, (T0301)P219.CB) [> 4.0244 = 6.7073 < 8.7195] w=0.1737 to align # Constraint # added constraint: constraint((T0301)F24.CB, (T0301)C33.CB) [> 3.3160 = 5.5266 < 7.1846] w=0.1737 to align # Constraint # added constraint: constraint((T0301)G16.CA, (T0301)G354.CA) [> 4.6261 = 7.7102 < 10.0233] w=0.1734 to align # Constraint # added constraint: constraint((T0301)K20.CB, (T0301)H57.CB) [> 3.8592 = 6.4320 < 8.3616] w=0.1733 to align # Constraint # added constraint: constraint((T0301)A11.CB, (T0301)R25.CB) [> 3.8781 = 6.4635 < 8.4025] w=0.1730 to align # Constraint # added constraint: constraint((T0301)V98.CB, (T0301)M309.CB) [> 3.2946 = 5.4910 < 7.1383] w=0.1729 to align # Constraint # added constraint: constraint((T0301)V149.CB, (T0301)A172.CB) [> 4.6095 = 7.6826 < 9.9873] w=0.1729 to align # Constraint # added constraint: constraint((T0301)A360.CB, (T0301)A374.CB) [> 3.6650 = 6.1083 < 7.9408] w=0.1729 to align # Constraint # added constraint: constraint((T0301)T326.CB, (T0301)A374.CB) [> 3.4235 = 5.7058 < 7.4176] w=0.1729 to align # Constraint # added constraint: constraint((T0301)V322.CB, (T0301)A374.CB) [> 2.6043 = 4.3405 < 5.6426] w=0.1729 to align # Constraint # added constraint: constraint((T0301)V223.CB, (T0301)K277.CB) [> 3.8963 = 6.4938 < 8.4419] w=0.1728 to align # Constraint # added constraint: constraint((T0301)L302.CB, (T0301)A346.CB) [> 3.5595 = 5.9324 < 7.7122] w=0.1726 to align # Constraint # added constraint: constraint((T0301)A327.CB, (T0301)N336.CB) [> 3.6910 = 6.1517 < 7.9972] w=0.1726 to align # Constraint # added constraint: constraint((T0301)T326.CB, (T0301)N336.CB) [> 3.5500 = 5.9167 < 7.6917] w=0.1726 to align # Constraint # added constraint: constraint((T0301)L303.CB, (T0301)P352.CB) [> 4.3978 = 7.3297 < 9.5286] w=0.1726 to align # Constraint # added constraint: constraint((T0301)A211.CB, (T0301)I252.CB) [> 4.4821 = 7.4702 < 9.7113] w=0.1726 to align # Constraint # added constraint: constraint((T0301)L201.CB, (T0301)A255.CB) [> 3.3743 = 5.6238 < 7.3110] w=0.1726 to align # Constraint # added constraint: constraint((T0301)I48.CB, (T0301)G89.CA) [> 4.2211 = 7.0351 < 9.1456] w=0.1726 to align # Constraint # added constraint: constraint((T0301)I48.CB, (T0301)C71.CB) [> 3.3210 = 5.5350 < 7.1955] w=0.1726 to align # Constraint # added constraint: constraint((T0301)I9.CB, (T0301)V47.CB) [> 3.8135 = 6.3558 < 8.2626] w=0.1726 to align # Constraint # added constraint: constraint((T0301)I228.CB, (T0301)P283.CB) [> 4.1789 = 6.9649 < 9.0544] w=0.1723 to align # Constraint # added constraint: constraint((T0301)N215.CB, (T0301)V322.CB) [> 4.7091 = 7.8485 < 10.2030] w=0.1681 to align # Constraint # added constraint: constraint((T0301)G112.CA, (T0301)E158.CB) [> 3.3187 = 5.5312 < 7.1906] w=0.1677 to align # Constraint # added constraint: constraint((T0301)A211.CB, (T0301)A306.CB) [> 3.9369 = 6.5615 < 8.5299] w=0.1675 to align # Constraint # added constraint: constraint((T0301)Y230.CB, (T0301)F280.CB) [> 3.8965 = 6.4941 < 8.4424] w=0.1669 to align # Constraint # added constraint: constraint((T0301)R25.CB, (T0301)K76.CB) [> 4.4171 = 7.3619 < 9.5705] w=0.1662 to align # Constraint # added constraint: constraint((T0301)F209.CB, (T0301)T333.CB) [> 4.6419 = 7.7365 < 10.0575] w=0.1657 to align # Constraint # added constraint: constraint((T0301)L201.CB, (T0301)A327.CB) [> 2.9852 = 4.9754 < 6.4680] w=0.1656 to align # Constraint # added constraint: constraint((T0301)L201.CB, (T0301)T326.CB) [> 3.5883 = 5.9804 < 7.7746] w=0.1656 to align # Constraint # added constraint: constraint((T0301)L201.CB, (T0301)A323.CB) [> 2.2804 = 3.8006 < 4.9408] w=0.1656 to align # Constraint # added constraint: constraint((T0301)D199.CB, (T0301)A327.CB) [> 4.1958 = 6.9930 < 9.0910] w=0.1656 to align # Constraint # added constraint: constraint((T0301)S182.CB, (T0301)D199.CB) [> 3.5657 = 5.9428 < 7.7256] w=0.1656 to align # Constraint # added constraint: constraint((T0301)V134.CB, (T0301)V151.CB) [> 4.3758 = 7.2930 < 9.4810] w=0.1618 to align # Constraint # added constraint: constraint((T0301)E177.CB, (T0301)A216.CB) [> 4.3441 = 7.2401 < 9.4122] w=0.1600 to align # Constraint # added constraint: constraint((T0301)N106.CB, (T0301)H313.CB) [> 4.0824 = 6.8040 < 8.8452] w=0.1566 to align # Constraint # added constraint: constraint((T0301)A321.CB, (T0301)H351.CB) [> 4.0370 = 6.7283 < 8.7468] w=0.1559 to align # Constraint # added constraint: constraint((T0301)V206.CB, (T0301)V223.CB) [> 4.0497 = 6.7495 < 8.7744] w=0.1533 to align # Constraint # added constraint: constraint((T0301)D200.CB, (T0301)A211.CB) [> 4.2489 = 7.0814 < 9.2059] w=0.1524 to align # Constraint # added constraint: constraint((T0301)A11.CB, (T0301)C71.CB) [> 4.2316 = 7.0526 < 9.1684] w=0.1521 to align # Constraint # added constraint: constraint((T0301)R236.CB, (T0301)L303.CB) [> 3.5902 = 5.9836 < 7.7786] w=0.1516 to align # Constraint # added constraint: constraint((T0301)I239.CB, (T0301)R305.CB) [> 3.9902 = 6.6503 < 8.6453] w=0.1512 to align # Constraint # added constraint: constraint((T0301)E158.CB, (T0301)V175.CB) [> 4.2097 = 7.0162 < 9.1211] w=0.1499 to align # Constraint # added constraint: constraint((T0301)I214.CB, (T0301)A279.CB) [> 3.0707 = 5.1179 < 6.6532] w=0.1489 to align # Constraint # added constraint: constraint((T0301)S108.CB, (T0301)V371.CB) [> 4.6600 = 7.7667 < 10.0967] w=0.1489 to align # Constraint # added constraint: constraint((T0301)T109.CB, (T0301)E173.CB) [> 4.7191 = 7.8651 < 10.2247] w=0.1489 to align # Constraint # added constraint: constraint((T0301)T220.CB, (T0301)T326.CB) [> 4.6950 = 7.8251 < 10.1726] w=0.1489 to align # Constraint # added constraint: constraint((T0301)V281.CB, (T0301)T326.CB) [> 4.6957 = 7.8262 < 10.1740] w=0.1489 to align # Constraint # added constraint: constraint((T0301)C71.CB, (T0301)Q90.CB) [> 4.7536 = 7.9227 < 10.2995] w=0.1489 to align # Constraint # added constraint: constraint((T0301)I58.CB, (T0301)K70.CB) [> 3.7250 = 6.2083 < 8.0708] w=0.1489 to align # Constraint # added constraint: constraint((T0301)I58.CB, (T0301)S69.CB) [> 3.2632 = 5.4387 < 7.0703] w=0.1489 to align # Constraint # added constraint: constraint((T0301)L43.CB, (T0301)I58.CB) [> 4.3846 = 7.3076 < 9.4999] w=0.1489 to align # Constraint # added constraint: constraint((T0301)Y13.CB, (T0301)I58.CB) [> 4.3982 = 7.3303 < 9.5294] w=0.1489 to align # Constraint # added constraint: constraint((T0301)C104.CB, (T0301)S308.CB) [> 3.8855 = 6.4759 < 8.4187] w=0.1489 to align # Constraint # added constraint: constraint((T0301)Y88.CB, (T0301)N106.CB) [> 3.5884 = 5.9807 < 7.7748] w=0.1489 to align # Constraint # added constraint: constraint((T0301)D184.CB, (T0301)G195.CA) [> 4.4781 = 7.4635 < 9.7026] w=0.1489 to align # Constraint # added constraint: constraint((T0301)T212.CB, (T0301)I330.CB) [> 4.1253 = 6.8756 < 8.9382] w=0.1488 to align # Constraint # added constraint: constraint((T0301)Y88.CB, (T0301)I141.CB) [> 4.3810 = 7.3017 < 9.4922] w=0.1488 to align # Constraint # added constraint: constraint((T0301)Y86.CB, (T0301)W137.CB) [> 4.3036 = 7.1726 < 9.3244] w=0.1488 to align # Constraint # added constraint: constraint((T0301)V121.CB, (T0301)V134.CB) [> 3.5039 = 5.8398 < 7.5918] w=0.1488 to align # Constraint # added constraint: constraint((T0301)P123.CB, (T0301)V151.CB) [> 3.7036 = 6.1727 < 8.0245] w=0.1488 to align # Constraint # added constraint: constraint((T0301)F209.CB, (T0301)E227.CB) [> 2.6652 = 4.4419 < 5.7745] w=0.1488 to align # Constraint # added constraint: constraint((T0301)P204.CB, (T0301)R248.CB) [> 4.0761 = 6.7935 < 8.8315] w=0.1488 to align # Constraint # added constraint: constraint((T0301)L201.CB, (T0301)M213.CB) [> 3.2820 = 5.4700 < 7.1111] w=0.1486 to align # Constraint # added constraint: constraint((T0301)I58.CB, (T0301)I93.CB) [> 3.9241 = 6.5402 < 8.5023] w=0.1485 to align # Constraint # added constraint: constraint((T0301)K70.CB, (T0301)L87.CB) [> 3.9410 = 6.5684 < 8.5389] w=0.1485 to align # Constraint # added constraint: constraint((T0301)C71.CB, (T0301)L87.CB) [> 3.1113 = 5.1854 < 6.7411] w=0.1485 to align # Constraint # added constraint: constraint((T0301)Y86.CB, (T0301)F97.CB) [> 4.2004 = 7.0007 < 9.1010] w=0.1485 to align # Constraint # added constraint: constraint((T0301)L87.CB, (T0301)V98.CB) [> 4.1732 = 6.9554 < 9.0420] w=0.1485 to align # Constraint # added constraint: constraint((T0301)P276.CB, (T0301)T319.CB) [> 4.5933 = 7.6555 < 9.9522] w=0.1485 to align # Constraint # added constraint: constraint((T0301)A282.CB, (T0301)A339.CB) [> 4.4794 = 7.4657 < 9.7055] w=0.1485 to align # Constraint # added constraint: constraint((T0301)A321.CB, (T0301)G350.CA) [> 4.5576 = 7.5960 < 9.8748] w=0.1485 to align # Constraint # added constraint: constraint((T0301)A327.CB, (T0301)V371.CB) [> 4.7243 = 7.8739 < 10.2361] w=0.1485 to align # Constraint # added constraint: constraint((T0301)A360.CB, (T0301)K373.CB) [> 4.4836 = 7.4726 < 9.7143] w=0.1485 to align # Constraint # added constraint: constraint((T0301)M213.CB, (T0301)P276.CB) [> 4.2675 = 7.1124 < 9.2462] w=0.1483 to align # Constraint # added constraint: constraint((T0301)L201.CB, (T0301)V223.CB) [> 4.3166 = 7.1943 < 9.3526] w=0.1483 to align # Constraint # added constraint: constraint((T0301)G21.CA, (T0301)A111.CB) [> 4.7395 = 7.8992 < 10.2690] w=0.1479 to align # Constraint # added constraint: constraint((T0301)I145.CB, (T0301)G160.CA) [> 4.3619 = 7.2698 < 9.4507] w=0.1479 to align # Constraint # added constraint: constraint((T0301)D165.CB, (T0301)K373.CB) [> 3.5829 = 5.9714 < 7.7629] w=0.1478 to align # Constraint # added constraint: constraint((T0301)P283.CB, (T0301)T333.CB) [> 4.5385 = 7.5642 < 9.8334] w=0.1478 to align # Constraint # added constraint: constraint((T0301)A113.CB, (T0301)A172.CB) [> 4.5869 = 7.6449 < 9.9384] w=0.1478 to align # Constraint # added constraint: constraint((T0301)V223.CB, (T0301)I252.CB) [> 3.9561 = 6.5935 < 8.5715] w=0.1478 to align # Constraint # added constraint: constraint((T0301)V203.CB, (T0301)A255.CB) [> 3.1070 = 5.1783 < 6.7318] w=0.1478 to align # Constraint # added constraint: constraint((T0301)L201.CB, (T0301)G256.CA) [> 3.6286 = 6.0477 < 7.8621] w=0.1478 to align # Constraint # added constraint: constraint((T0301)D180.CB, (T0301)N215.CB) [> 4.7074 = 7.8457 < 10.1994] w=0.1478 to align # Constraint # added constraint: constraint((T0301)L14.CB, (T0301)H117.CB) [> 4.6981 = 7.8301 < 10.1791] w=0.1477 to align # Constraint # added constraint: constraint((T0301)R15.CB, (T0301)G110.CA) [> 4.7280 = 7.8801 < 10.2441] w=0.1477 to align # Constraint # added constraint: constraint((T0301)D180.CB, (T0301)T370.CB) [> 3.1334 = 5.2224 < 6.7891] w=0.1477 to align # Constraint # added constraint: constraint((T0301)P181.CB, (T0301)T370.CB) [> 4.0253 = 6.7089 < 8.7215] w=0.1477 to align # Constraint # added constraint: constraint((T0301)S182.CB, (T0301)T194.CB) [> 3.3067 = 5.5111 < 7.1645] w=0.1477 to align # Constraint # added constraint: constraint((T0301)S182.CB, (T0301)G195.CA) [> 3.7024 = 6.1707 < 8.0218] w=0.1477 to align # Constraint # added constraint: constraint((T0301)S182.CB, (T0301)T326.CB) [> 3.1460 = 5.2434 < 6.8164] w=0.1477 to align # Constraint # added constraint: constraint((T0301)G217.CA, (T0301)V322.CB) [> 3.7859 = 6.3099 < 8.2029] w=0.1477 to align # Constraint # added constraint: constraint((T0301)A216.CB, (T0301)G325.CA) [> 4.5263 = 7.5438 < 9.8069] w=0.1477 to align # Constraint # added constraint: constraint((T0301)T194.CB, (T0301)A327.CB) [> 2.9359 = 4.8931 < 6.3611] w=0.1477 to align # Constraint # added constraint: constraint((T0301)T194.CB, (T0301)A323.CB) [> 4.6972 = 7.8287 < 10.1773] w=0.1477 to align # Constraint # added constraint: constraint((T0301)T194.CB, (T0301)N215.CB) [> 4.6345 = 7.7241 < 10.0414] w=0.1477 to align # Constraint # added constraint: constraint((T0301)T194.CB, (T0301)I214.CB) [> 2.5699 = 4.2832 < 5.5681] w=0.1477 to align # Constraint # added constraint: constraint((T0301)G112.CA, (T0301)I145.CB) [> 3.2234 = 5.3723 < 6.9839] w=0.1464 to align # Constraint # added constraint: constraint((T0301)G110.CA, (T0301)V156.CB) [> 4.3872 = 7.3120 < 9.5056] w=0.1451 to align # Constraint # added constraint: constraint((T0301)A323.CB, (T0301)V358.CB) [> 4.3460 = 7.2434 < 9.4164] w=0.1427 to align # Constraint # added constraint: constraint((T0301)I191.CB, (T0301)A225.CB) [> 3.7642 = 6.2737 < 8.1558] w=0.1423 to align # Constraint # added constraint: constraint((T0301)I191.CB, (T0301)V223.CB) [> 4.3201 = 7.2001 < 9.3602] w=0.1423 to align # Constraint # added constraint: constraint((T0301)A190.CB, (T0301)A225.CB) [> 3.6027 = 6.0046 < 7.8059] w=0.1423 to align # Constraint # added constraint: constraint((T0301)W137.CB, (T0301)A147.CB) [> 4.3343 = 7.2238 < 9.3910] w=0.1384 to align # Constraint # added constraint: constraint((T0301)P284.CB, (T0301)L303.CB) [> 3.3164 = 5.5273 < 7.1855] w=0.1377 to align # Constraint # added constraint: constraint((T0301)E177.CB, (T0301)N215.CB) [> 3.1575 = 5.2626 < 6.8413] w=0.1352 to align # Constraint # added constraint: constraint((T0301)Q79.CB, (T0301)E133.CB) [> 4.6264 = 7.7106 < 10.0238] w=0.1351 to align # Constraint # added constraint: constraint((T0301)V198.CB, (T0301)N224.CB) [> 4.1230 = 6.8717 < 8.9332] w=0.1351 to align # Constraint # added constraint: constraint((T0301)L201.CB, (T0301)T220.CB) [> 3.6905 = 6.1508 < 7.9960] w=0.1335 to align # Constraint # added constraint: constraint((T0301)L87.CB, (T0301)A115.CB) [> 3.9733 = 6.6222 < 8.6088] w=0.1317 to align # Constraint # added constraint: constraint((T0301)T220.CB, (T0301)H274.CB) [> 3.6665 = 6.1108 < 7.9440] w=0.1315 to align # Constraint # added constraint: constraint((T0301)L201.CB, (T0301)F222.CB) [> 3.6303 = 6.0505 < 7.8657] w=0.1300 to align # Constraint # added constraint: constraint((T0301)D200.CB, (T0301)V221.CB) [> 3.7311 = 6.2184 < 8.0839] w=0.1300 to align # Constraint # added constraint: constraint((T0301)L197.CB, (T0301)M213.CB) [> 3.9684 = 6.6140 < 8.5982] w=0.1279 to align # Constraint # added constraint: constraint((T0301)V72.CB, (T0301)N106.CB) [> 3.7483 = 6.2471 < 8.1213] w=0.1275 to align # Constraint # added constraint: constraint((T0301)P150.CB, (T0301)T159.CB) [> 4.0727 = 6.7878 < 8.8242] w=0.1275 to align # Constraint # added constraint: constraint((T0301)S69.CB, (T0301)A315.CB) [> 3.9078 = 6.5130 < 8.4669] w=0.1268 to align # Constraint # added constraint: constraint((T0301)V156.CB, (T0301)L201.CB) [> 3.5868 = 5.9779 < 7.7713] w=0.1264 to align # Constraint # added constraint: constraint((T0301)A190.CB, (T0301)V223.CB) [> 3.5513 = 5.9188 < 7.6944] w=0.1244 to align # Constraint # added constraint: constraint((T0301)K210.CB, (T0301)P276.CB) [> 4.5032 = 7.5053 < 9.7569] w=0.1244 to align # Constraint # added constraint: constraint((T0301)A211.CB, (T0301)P276.CB) [> 2.7932 = 4.6554 < 6.0520] w=0.1244 to align # Constraint # added constraint: constraint((T0301)A211.CB, (T0301)K277.CB) [> 4.3563 = 7.2604 < 9.4385] w=0.1244 to align # Constraint # added constraint: constraint((T0301)M213.CB, (T0301)I278.CB) [> 3.6223 = 6.0371 < 7.8482] w=0.1244 to align # Constraint # added constraint: constraint((T0301)M213.CB, (T0301)F280.CB) [> 4.1122 = 6.8536 < 8.9097] w=0.1244 to align # Constraint # added constraint: constraint((T0301)I214.CB, (T0301)K277.CB) [> 3.8950 = 6.4917 < 8.4392] w=0.1244 to align # Constraint # added constraint: constraint((T0301)I214.CB, (T0301)I278.CB) [> 4.1004 = 6.8340 < 8.8842] w=0.1244 to align # Constraint # added constraint: constraint((T0301)I214.CB, (T0301)F280.CB) [> 4.2207 = 7.0346 < 9.1449] w=0.1244 to align # Constraint # added constraint: constraint((T0301)N215.CB, (T0301)F280.CB) [> 3.5254 = 5.8756 < 7.6383] w=0.1244 to align # Constraint # added constraint: constraint((T0301)I191.CB, (T0301)Q273.CB) [> 4.0247 = 6.7079 < 8.7203] w=0.1241 to align # Constraint # added constraint: constraint((T0301)L197.CB, (T0301)A329.CB) [> 3.7853 = 6.3088 < 8.2015] w=0.1240 to align # Constraint # added constraint: constraint((T0301)L197.CB, (T0301)I330.CB) [> 3.3397 = 5.5662 < 7.2361] w=0.1240 to align # Constraint # added constraint: constraint((T0301)P123.CB, (T0301)V156.CB) [> 3.9114 = 6.5189 < 8.4746] w=0.1240 to align # Constraint # added constraint: constraint((T0301)S108.CB, (T0301)Q138.CB) [> 4.4538 = 7.4231 < 9.6500] w=0.1240 to align # Constraint # added constraint: constraint((T0301)A279.CB, (T0301)A327.CB) [> 4.7552 = 7.9253 < 10.3029] w=0.1238 to align # Constraint # added constraint: constraint((T0301)G359.CA, (T0301)A374.CB) [> 3.9961 = 6.6601 < 8.6581] w=0.1238 to align # Constraint # added constraint: constraint((T0301)V358.CB, (T0301)A374.CB) [> 4.0739 = 6.7899 < 8.8268] w=0.1238 to align # Constraint # added constraint: constraint((T0301)G325.CA, (T0301)A374.CB) [> 4.0842 = 6.8070 < 8.8491] w=0.1238 to align # Constraint # added constraint: constraint((T0301)A323.CB, (T0301)A374.CB) [> 4.2991 = 7.1652 < 9.3148] w=0.1238 to align # Constraint # added constraint: constraint((T0301)R25.CB, (T0301)V72.CB) [> 3.6474 = 6.0790 < 7.9026] w=0.1237 to align # Constraint # added constraint: constraint((T0301)F192.CB, (T0301)A339.CB) [> 4.6915 = 7.8192 < 10.1650] w=0.1237 to align # Constraint # added constraint: constraint((T0301)K20.CB, (T0301)I58.CB) [> 3.5073 = 5.8456 < 7.5992] w=0.1237 to align # Constraint # added constraint: constraint((T0301)P284.CB, (T0301)T333.CB) [> 4.3033 = 7.1722 < 9.3239] w=0.1235 to align # Constraint # added constraint: constraint((T0301)A11.CB, (T0301)G21.CA) [> 3.2738 = 5.4563 < 7.0932] w=0.1235 to align # Constraint # added constraint: constraint((T0301)L14.CB, (T0301)A111.CB) [> 4.6509 = 7.7515 < 10.0769] w=0.1234 to align # Constraint # added constraint: constraint((T0301)G16.CA, (T0301)M316.CB) [> 3.8162 = 6.3603 < 8.2684] w=0.1234 to align # Constraint # added constraint: constraint((T0301)Y88.CB, (T0301)S108.CB) [> 4.6839 = 7.8065 < 10.1484] w=0.1234 to align # Constraint # added constraint: constraint((T0301)I48.CB, (T0301)K70.CB) [> 4.5052 = 7.5087 < 9.7613] w=0.1233 to align # Constraint # added constraint: constraint((T0301)S69.CB, (T0301)L312.CB) [> 4.4193 = 7.3654 < 9.5751] w=0.1231 to align # Constraint # added constraint: constraint((T0301)A362.CB, (T0301)K373.CB) [> 4.5334 = 7.5556 < 9.8223] w=0.1230 to align # Constraint # added constraint: constraint((T0301)Q364.CB, (T0301)K373.CB) [> 4.3087 = 7.1811 < 9.3355] w=0.1230 to align # Constraint # added constraint: constraint((T0301)A257.CB, (T0301)T275.CB) [> 4.1866 = 6.9776 < 9.0709] w=0.1230 to align # Constraint # added constraint: constraint((T0301)G256.CA, (T0301)T275.CB) [> 3.8112 = 6.3520 < 8.2576] w=0.1230 to align # Constraint # added constraint: constraint((T0301)V221.CB, (T0301)R253.CB) [> 3.9372 = 6.5619 < 8.5305] w=0.1229 to align # Constraint # added constraint: constraint((T0301)H148.CB, (T0301)G160.CA) [> 3.7108 = 6.1847 < 8.0401] w=0.1204 to align # Constraint # added constraint: constraint((T0301)P284.CB, (T0301)D299.CB) [> 3.9343 = 6.5571 < 8.5242] w=0.1182 to align # Constraint # added constraint: constraint((T0301)T159.CB, (T0301)I174.CB) [> 4.0068 = 6.6779 < 8.6813] w=0.1181 to align # Constraint # added constraint: constraint((T0301)C132.CB, (T0301)T159.CB) [> 4.6027 = 7.6712 < 9.9725] w=0.1181 to align # Constraint # added constraint: constraint((T0301)Y230.CB, (T0301)V281.CB) [> 3.7293 = 6.2155 < 8.0801] w=0.1180 to align # Constraint # added constraint: constraint((T0301)P284.CB, (T0301)I300.CB) [> 2.8228 = 4.7046 < 6.1160] w=0.1129 to align # Constraint # added constraint: constraint((T0301)G261.CA, (T0301)P276.CB) [> 4.1475 = 6.9125 < 8.9863] w=0.1125 to align # Constraint # added constraint: constraint((T0301)T18.CB, (T0301)T355.CB) [> 4.2248 = 7.0414 < 9.1538] w=0.1120 to align # Constraint # added constraint: constraint((T0301)A327.CB, (T0301)A338.CB) [> 3.7426 = 6.2377 < 8.1090] w=0.1109 to align # Constraint # added constraint: constraint((T0301)A211.CB, (T0301)R305.CB) [> 4.3099 = 7.1832 < 9.3382] w=0.1108 to align # Constraint # added constraint: constraint((T0301)V156.CB, (T0301)L176.CB) [> 3.7139 = 6.1899 < 8.0469] w=0.1107 to align # Constraint # added constraint: constraint((T0301)V149.CB, (T0301)T159.CB) [> 4.0858 = 6.8096 < 8.8525] w=0.1097 to align # Constraint # added constraint: constraint((T0301)V206.CB, (T0301)N224.CB) [> 3.2306 = 5.3844 < 6.9997] w=0.1095 to align # Constraint # added constraint: constraint((T0301)G102.CA, (T0301)V151.CB) [> 4.0015 = 6.6691 < 8.6698] w=0.1095 to align # Constraint # added constraint: constraint((T0301)H148.CB, (T0301)T159.CB) [> 2.7503 = 4.5839 < 5.9591] w=0.1094 to align # Constraint # added constraint: constraint((T0301)L197.CB, (T0301)T326.CB) [> 4.3035 = 7.1725 < 9.3243] w=0.1093 to align # Constraint # added constraint: constraint((T0301)A290.CB, (T0301)L302.CB) [> 4.5090 = 7.5150 < 9.7696] w=0.1093 to align # Constraint # added constraint: constraint((T0301)G207.CA, (T0301)N224.CB) [> 3.0319 = 5.0532 < 6.5691] w=0.1093 to align # Constraint # added constraint: constraint((T0301)G207.CA, (T0301)A225.CB) [> 4.2058 = 7.0097 < 9.1126] w=0.1093 to align # Constraint # added constraint: constraint((T0301)A225.CB, (T0301)R236.CB) [> 3.7753 = 6.2922 < 8.1799] w=0.1090 to align # Constraint # added constraint: constraint((T0301)D161.CB, (T0301)A216.CB) [> 3.8556 = 6.4259 < 8.3537] w=0.1089 to align # Constraint # added constraint: constraint((T0301)A225.CB, (T0301)L303.CB) [> 3.4217 = 5.7028 < 7.4137] w=0.1076 to align # Constraint # added constraint: constraint((T0301)R25.CB, (T0301)A111.CB) [> 4.4534 = 7.4223 < 9.6489] w=0.1073 to align # Constraint # added constraint: constraint((T0301)A111.CB, (T0301)V149.CB) [> 4.2955 = 7.1592 < 9.3070] w=0.1069 to align # Constraint # added constraint: constraint((T0301)N106.CB, (T0301)H351.CB) [> 3.5043 = 5.8405 < 7.5926] w=0.1058 to align # Constraint # added constraint: constraint((T0301)K210.CB, (T0301)L303.CB) [> 3.9317 = 6.5528 < 8.5186] w=0.1058 to align # Constraint # added constraint: constraint((T0301)K210.CB, (T0301)V304.CB) [> 4.1316 = 6.8859 < 8.9517] w=0.1058 to align # Constraint # added constraint: constraint((T0301)L116.CB, (T0301)I145.CB) [> 4.4590 = 7.4317 < 9.6613] w=0.1040 to align # Constraint # added constraint: constraint((T0301)S108.CB, (T0301)V149.CB) [> 4.0580 = 6.7632 < 8.7922] w=0.1036 to align # Constraint # added constraint: constraint((T0301)V198.CB, (T0301)M213.CB) [> 4.2453 = 7.0754 < 9.1981] w=0.1031 to align # Constraint # added constraint: constraint((T0301)A147.CB, (T0301)G160.CA) [> 3.3347 = 5.5578 < 7.2252] w=0.1027 to align # Constraint # added constraint: constraint((T0301)A147.CB, (T0301)D161.CB) [> 4.4038 = 7.3397 < 9.5416] w=0.1027 to align # Constraint # added constraint: constraint((T0301)H148.CB, (T0301)D161.CB) [> 4.0454 = 6.7423 < 8.7650] w=0.1027 to align # Constraint # added constraint: constraint((T0301)I239.CB, (T0301)F280.CB) [> 3.5451 = 5.9084 < 7.6810] w=0.1022 to align # Constraint # added constraint: constraint((T0301)I239.CB, (T0301)A282.CB) [> 3.8223 = 6.3705 < 8.2817] w=0.1021 to align # Constraint # added constraint: constraint((T0301)V203.CB, (T0301)L262.CB) [> 4.5902 = 7.6503 < 9.9454] w=0.1019 to align # Constraint # added constraint: constraint((T0301)A124.CB, (T0301)T168.CB) [> 3.3840 = 5.6400 < 7.3320] w=0.0992 to align # Constraint # added constraint: constraint((T0301)G112.CA, (T0301)T168.CB) [> 3.8717 = 6.4529 < 8.3888] w=0.0992 to align # Constraint # added constraint: constraint((T0301)G21.CA, (T0301)I58.CB) [> 2.7456 = 4.5760 < 5.9488] w=0.0992 to align # Constraint # added constraint: constraint((T0301)S19.CB, (T0301)L107.CB) [> 4.6422 = 7.7371 < 10.0582] w=0.0992 to align # Constraint # added constraint: constraint((T0301)A115.CB, (T0301)V149.CB) [> 4.1009 = 6.8348 < 8.8852] w=0.0992 to align # Constraint # added constraint: constraint((T0301)L116.CB, (T0301)V134.CB) [> 4.2584 = 7.0973 < 9.2265] w=0.0992 to align # Constraint # added constraint: constraint((T0301)L120.CB, (T0301)V149.CB) [> 3.5483 = 5.9139 < 7.6880] w=0.0991 to align # Constraint # added constraint: constraint((T0301)N336.CB, (T0301)V371.CB) [> 3.3816 = 5.6360 < 7.3268] w=0.0991 to align # Constraint # added constraint: constraint((T0301)F178.CB, (T0301)N336.CB) [> 3.7500 = 6.2500 < 8.1250] w=0.0991 to align # Constraint # added constraint: constraint((T0301)S182.CB, (T0301)M260.CB) [> 3.9385 = 6.5641 < 8.5333] w=0.0990 to align # Constraint # added constraint: constraint((T0301)F192.CB, (T0301)N215.CB) [> 2.6005 = 4.3343 < 5.6345] w=0.0989 to align # Constraint # added constraint: constraint((T0301)T12.CB, (T0301)G21.CA) [> 3.8391 = 6.3985 < 8.3180] w=0.0989 to align # Constraint # added constraint: constraint((T0301)P10.CB, (T0301)F23.CB) [> 4.5243 = 7.5406 < 9.8027] w=0.0989 to align # Constraint # added constraint: constraint((T0301)I9.CB, (T0301)F23.CB) [> 3.1464 = 5.2440 < 6.8172] w=0.0989 to align # Constraint # added constraint: constraint((T0301)N196.CB, (T0301)A339.CB) [> 4.1018 = 6.8363 < 8.8872] w=0.0989 to align # Constraint # added constraint: constraint((T0301)V22.CB, (T0301)H57.CB) [> 4.2859 = 7.1431 < 9.2861] w=0.0989 to align # Constraint # added constraint: constraint((T0301)R25.CB, (T0301)C71.CB) [> 4.0863 = 6.8106 < 8.8537] w=0.0989 to align # Constraint # added constraint: constraint((T0301)Y13.CB, (T0301)F24.CB) [> 4.3752 = 7.2920 < 9.4796] w=0.0989 to align # Constraint # added constraint: constraint((T0301)P150.CB, (T0301)A172.CB) [> 3.2433 = 5.4056 < 7.0272] w=0.0989 to align # Constraint # added constraint: constraint((T0301)G232.CA, (T0301)A282.CB) [> 3.6541 = 6.0902 < 7.9173] w=0.0989 to align # Constraint # added constraint: constraint((T0301)G232.CA, (T0301)P352.CB) [> 3.8159 = 6.3599 < 8.2678] w=0.0989 to align # Constraint # added constraint: constraint((T0301)P123.CB, (T0301)V149.CB) [> 3.8855 = 6.4758 < 8.4185] w=0.0988 to align # Constraint # added constraint: constraint((T0301)Y230.CB, (T0301)R305.CB) [> 3.6403 = 6.0672 < 7.8874] w=0.0988 to align # Constraint # added constraint: constraint((T0301)Y230.CB, (T0301)L303.CB) [> 3.3412 = 5.5687 < 7.2394] w=0.0988 to align # Constraint # added constraint: constraint((T0301)V203.CB, (T0301)A225.CB) [> 4.3928 = 7.3214 < 9.5178] w=0.0987 to align # Constraint # added constraint: constraint((T0301)L87.CB, (T0301)C132.CB) [> 4.2887 = 7.1478 < 9.2921] w=0.0986 to align # Constraint # added constraint: constraint((T0301)N224.CB, (T0301)A279.CB) [> 4.6514 = 7.7523 < 10.0780] w=0.0985 to align # Constraint # added constraint: constraint((T0301)V22.CB, (T0301)T65.CB) [> 4.5398 = 7.5664 < 9.8363] w=0.0985 to align # Constraint # added constraint: constraint((T0301)P51.CB, (T0301)T65.CB) [> 4.3309 = 7.2181 < 9.3835] w=0.0985 to align # Constraint # added constraint: constraint((T0301)D52.CB, (T0301)T65.CB) [> 3.6307 = 6.0512 < 7.8666] w=0.0985 to align # Constraint # added constraint: constraint((T0301)L235.CB, (T0301)A282.CB) [> 3.4945 = 5.8242 < 7.5714] w=0.0984 to align # Constraint # added constraint: constraint((T0301)A315.CB, (T0301)F349.CB) [> 3.6848 = 6.1414 < 7.9838] w=0.0982 to align # Constraint # added constraint: constraint((T0301)A315.CB, (T0301)G350.CA) [> 3.0261 = 5.0435 < 6.5565] w=0.0982 to align # Constraint # added constraint: constraint((T0301)N224.CB, (T0301)P283.CB) [> 4.4423 = 7.4039 < 9.6251] w=0.0982 to align # Constraint # added constraint: constraint((T0301)L303.CB, (T0301)G354.CA) [> 4.7312 = 7.8854 < 10.2510] w=0.0982 to align # Constraint # added constraint: constraint((T0301)A11.CB, (T0301)V47.CB) [> 4.4113 = 7.3522 < 9.5578] w=0.0981 to align # Constraint # added constraint: constraint((T0301)V221.CB, (T0301)I252.CB) [> 3.6624 = 6.1041 < 7.9353] w=0.0981 to align # Constraint # added constraint: constraint((T0301)D286.CB, (T0301)I300.CB) [> 3.9320 = 6.5533 < 8.5192] w=0.0975 to align # Constraint # added constraint: constraint((T0301)Q138.CB, (T0301)A147.CB) [> 3.2248 = 5.3747 < 6.9871] w=0.0955 to align # Constraint # added constraint: constraint((T0301)I131.CB, (T0301)T159.CB) [> 3.0107 = 5.0178 < 6.5232] w=0.0933 to align # Constraint # added constraint: constraint((T0301)Q157.CB, (T0301)E177.CB) [> 2.9199 = 4.8665 < 6.3265] w=0.0933 to align # Constraint # added constraint: constraint((T0301)T159.CB, (T0301)V175.CB) [> 2.6493 = 4.4156 < 5.7403] w=0.0933 to align # Constraint # added constraint: constraint((T0301)L87.CB, (T0301)V134.CB) [> 3.3464 = 5.5773 < 7.2505] w=0.0932 to align # Constraint # added constraint: constraint((T0301)G207.CA, (T0301)V223.CB) [> 3.3458 = 5.5763 < 7.2491] w=0.0931 to align # Constraint # added constraint: constraint((T0301)T319.CB, (T0301)V358.CB) [> 4.2288 = 7.0480 < 9.1624] w=0.0931 to align # Constraint # added constraint: constraint((T0301)T319.CB, (T0301)V347.CB) [> 4.1857 = 6.9762 < 9.0691] w=0.0931 to align # Constraint # added constraint: constraint((T0301)T109.CB, (T0301)V156.CB) [> 2.8115 = 4.6858 < 6.0915] w=0.0928 to align # Constraint # added constraint: constraint((T0301)Q155.CB, (T0301)R357.CB) [> 4.2235 = 7.0391 < 9.1509] w=0.0928 to align # Constraint # added constraint: constraint((T0301)Q157.CB, (T0301)R357.CB) [> 4.6218 = 7.7029 < 10.0138] w=0.0928 to align # Constraint # added constraint: constraint((T0301)N336.CB, (T0301)A360.CB) [> 2.9868 = 4.9780 < 6.4713] w=0.0928 to align # Constraint # added constraint: constraint((T0301)V322.CB, (T0301)L356.CB) [> 4.3086 = 7.1810 < 9.3353] w=0.0920 to align # Constraint # added constraint: constraint((T0301)I191.CB, (T0301)N224.CB) [> 3.7076 = 6.1793 < 8.0330] w=0.0920 to align # Constraint # added constraint: constraint((T0301)V149.CB, (T0301)V175.CB) [> 4.6160 = 7.6934 < 10.0014] w=0.0918 to align # Constraint # added constraint: constraint((T0301)A290.CB, (T0301)T333.CB) [> 4.2634 = 7.1057 < 9.2374] w=0.0916 to align # Constraint # added constraint: constraint((T0301)N215.CB, (T0301)A339.CB) [> 4.5320 = 7.5533 < 9.8193] w=0.0916 to align # Constraint # added constraint: constraint((T0301)L201.CB, (T0301)A216.CB) [> 3.8564 = 6.4274 < 8.3556] w=0.0915 to align # Constraint # added constraint: constraint((T0301)A225.CB, (T0301)R305.CB) [> 3.5748 = 5.9580 < 7.7453] w=0.0909 to align # Constraint # added constraint: constraint((T0301)R135.CB, (T0301)V149.CB) [> 4.5057 = 7.5094 < 9.7623] w=0.0889 to align # Constraint # added constraint: constraint((T0301)K210.CB, (T0301)A306.CB) [> 4.4784 = 7.4640 < 9.7032] w=0.0884 to align # Constraint # added constraint: constraint((T0301)K210.CB, (T0301)R305.CB) [> 3.1009 = 5.1682 < 6.7187] w=0.0884 to align # Constraint # added constraint: constraint((T0301)A225.CB, (T0301)I239.CB) [> 3.5257 = 5.8763 < 7.6391] w=0.0882 to align # Constraint # added constraint: constraint((T0301)G195.CA, (T0301)L262.CB) [> 4.3797 = 7.2995 < 9.4894] w=0.0881 to align # Constraint # added constraint: constraint((T0301)G110.CA, (T0301)A147.CB) [> 3.6630 = 6.1050 < 7.9366] w=0.0877 to align # Constraint # added constraint: constraint((T0301)L201.CB, (T0301)V322.CB) [> 4.4977 = 7.4961 < 9.7449] w=0.0875 to align # Constraint # added constraint: constraint((T0301)G110.CA, (T0301)I145.CB) [> 4.4096 = 7.3494 < 9.5542] w=0.0863 to align # Constraint # added constraint: constraint((T0301)T109.CB, (T0301)I145.CB) [> 3.1309 = 5.2181 < 6.7835] w=0.0863 to align # Constraint # added constraint: constraint((T0301)A115.CB, (T0301)I126.CB) [> 4.0671 = 6.7785 < 8.8120] w=0.0859 to align # Constraint # added constraint: constraint((T0301)F222.CB, (T0301)A321.CB) [> 3.8117 = 6.3528 < 8.2586] w=0.0857 to align # Constraint # added constraint: constraint((T0301)A279.CB, (T0301)G325.CA) [> 3.1939 = 5.3232 < 6.9201] w=0.0857 to align # Constraint # added constraint: constraint((T0301)V281.CB, (T0301)G325.CA) [> 4.2789 = 7.1315 < 9.2710] w=0.0857 to align # Constraint # added constraint: constraint((T0301)D180.CB, (T0301)F192.CB) [> 3.5164 = 5.8607 < 7.6189] w=0.0852 to align # Constraint # added constraint: constraint((T0301)S182.CB, (T0301)A211.CB) [> 2.9737 = 4.9561 < 6.4429] w=0.0850 to align # Constraint # added constraint: constraint((T0301)A279.CB, (T0301)L303.CB) [> 3.7230 = 6.2050 < 8.0665] w=0.0849 to align # Constraint # added constraint: constraint((T0301)G325.CA, (T0301)V335.CB) [> 4.0386 = 6.7310 < 8.7503] w=0.0849 to align # Constraint # added constraint: constraint((T0301)V206.CB, (T0301)A225.CB) [> 4.0979 = 6.8299 < 8.8788] w=0.0847 to align # Constraint # added constraint: constraint((T0301)A216.CB, (T0301)A225.CB) [> 3.5912 = 5.9853 < 7.7808] w=0.0846 to align # Constraint # added constraint: constraint((T0301)L303.CB, (T0301)A320.CB) [> 4.1906 = 6.9844 < 9.0796] w=0.0831 to align # Constraint # added constraint: constraint((T0301)V304.CB, (T0301)A315.CB) [> 4.2589 = 7.0982 < 9.2276] w=0.0825 to align # Constraint # added constraint: constraint((T0301)L302.CB, (T0301)T319.CB) [> 4.0720 = 6.7867 < 8.8227] w=0.0825 to align # Constraint # added constraint: constraint((T0301)V347.CB, (T0301)V371.CB) [> 4.5297 = 7.5495 < 9.8143] w=0.0824 to align # Constraint # added constraint: constraint((T0301)P150.CB, (T0301)G160.CA) [> 3.7021 = 6.1701 < 8.0211] w=0.0816 to align # Constraint # added constraint: constraint((T0301)V198.CB, (T0301)V223.CB) [> 3.0778 = 5.1296 < 6.6685] w=0.0809 to align # Constraint # added constraint: constraint((T0301)A211.CB, (T0301)M317.CB) [> 4.6217 = 7.7028 < 10.0136] w=0.0791 to align # Constraint # added constraint: constraint((T0301)D94.CB, (T0301)S308.CB) [> 4.0341 = 6.7235 < 8.7406] w=0.0779 to align # Constraint # added constraint: constraint((T0301)V72.CB, (T0301)T109.CB) [> 3.9593 = 6.5989 < 8.5786] w=0.0778 to align # Constraint # added constraint: constraint((T0301)L74.CB, (T0301)G110.CA) [> 4.0817 = 6.8028 < 8.8436] w=0.0778 to align # Constraint # added constraint: constraint((T0301)A111.CB, (T0301)I145.CB) [> 3.5445 = 5.9075 < 7.6797] w=0.0778 to align # Constraint # added constraint: constraint((T0301)A115.CB, (T0301)Q138.CB) [> 3.6105 = 6.0175 < 7.8228] w=0.0778 to align # Constraint # added constraint: constraint((T0301)A115.CB, (T0301)I145.CB) [> 4.0920 = 6.8201 < 8.8661] w=0.0778 to align # Constraint # added constraint: constraint((T0301)R8.CB, (T0301)M316.CB) [> 3.6091 = 6.0152 < 7.8198] w=0.0777 to align # Constraint # added constraint: constraint((T0301)I9.CB, (T0301)S69.CB) [> 3.9464 = 6.5773 < 8.5505] w=0.0777 to align # Constraint # added constraint: constraint((T0301)I9.CB, (T0301)A315.CB) [> 3.6599 = 6.0999 < 7.9299] w=0.0777 to align # Constraint # added constraint: constraint((T0301)I9.CB, (T0301)M316.CB) [> 2.2502 = 3.7503 < 4.8755] w=0.0777 to align # Constraint # added constraint: constraint((T0301)P10.CB, (T0301)S69.CB) [> 4.3305 = 7.2175 < 9.3827] w=0.0777 to align # Constraint # added constraint: constraint((T0301)A11.CB, (T0301)T68.CB) [> 3.4548 = 5.7580 < 7.4854] w=0.0777 to align # Constraint # added constraint: constraint((T0301)A11.CB, (T0301)K70.CB) [> 3.6351 = 6.0585 < 7.8761] w=0.0777 to align # Constraint # added constraint: constraint((T0301)A11.CB, (T0301)V72.CB) [> 3.9991 = 6.6652 < 8.6648] w=0.0777 to align # Constraint # added constraint: constraint((T0301)A11.CB, (T0301)N106.CB) [> 3.5649 = 5.9415 < 7.7239] w=0.0777 to align # Constraint # added constraint: constraint((T0301)P266.CB, (T0301)I278.CB) [> 3.2728 = 5.4546 < 7.0911] w=0.0762 to align # Constraint # added constraint: constraint((T0301)A282.CB, (T0301)L294.CB) [> 3.5722 = 5.9537 < 7.7398] w=0.0744 to align # Constraint # added constraint: constraint((T0301)V203.CB, (T0301)V221.CB) [> 4.2953 = 7.1589 < 9.3066] w=0.0744 to align # Constraint # added constraint: constraint((T0301)R15.CB, (T0301)N106.CB) [> 4.6587 = 7.7645 < 10.0938] w=0.0744 to align # Constraint # added constraint: constraint((T0301)L107.CB, (T0301)M317.CB) [> 4.4323 = 7.3872 < 9.6034] w=0.0744 to align # Constraint # added constraint: constraint((T0301)T109.CB, (T0301)M317.CB) [> 4.1284 = 6.8808 < 8.9450] w=0.0744 to align # Constraint # added constraint: constraint((T0301)T109.CB, (T0301)V371.CB) [> 4.6841 = 7.8069 < 10.1490] w=0.0744 to align # Constraint # added constraint: constraint((T0301)G188.CA, (T0301)G217.CA) [> 4.6679 = 7.7799 < 10.1138] w=0.0744 to align # Constraint # added constraint: constraint((T0301)F222.CB, (T0301)T319.CB) [> 4.7881 = 7.9802 < 10.3743] w=0.0744 to align # Constraint # added constraint: constraint((T0301)A279.CB, (T0301)M316.CB) [> 4.7228 = 7.8713 < 10.2327] w=0.0744 to align # Constraint # added constraint: constraint((T0301)P30.CB, (T0301)L120.CB) [> 4.6407 = 7.7345 < 10.0548] w=0.0744 to align # Constraint # added constraint: constraint((T0301)A211.CB, (T0301)T326.CB) [> 4.7802 = 7.9670 < 10.3571] w=0.0744 to align # Constraint # added constraint: constraint((T0301)T319.CB, (T0301)H351.CB) [> 4.7845 = 7.9742 < 10.3665] w=0.0744 to align # Constraint # added constraint: constraint((T0301)F192.CB, (T0301)P219.CB) [> 4.0715 = 6.7859 < 8.8217] w=0.0744 to align # Constraint # added constraint: constraint((T0301)K277.CB, (T0301)R305.CB) [> 3.5944 = 5.9906 < 7.7878] w=0.0744 to align # Constraint # added constraint: constraint((T0301)L302.CB, (T0301)H351.CB) [> 4.1153 = 6.8589 < 8.9166] w=0.0744 to align # Constraint # added constraint: constraint((T0301)V121.CB, (T0301)E133.CB) [> 4.7498 = 7.9163 < 10.2911] w=0.0744 to align # Constraint # added constraint: constraint((T0301)N103.CB, (T0301)Q138.CB) [> 3.1996 = 5.3326 < 6.9324] w=0.0744 to align # Constraint # added constraint: constraint((T0301)G102.CA, (T0301)Q138.CB) [> 3.8824 = 6.4706 < 8.4118] w=0.0744 to align # Constraint # added constraint: constraint((T0301)Y88.CB, (T0301)Q138.CB) [> 4.6646 = 7.7743 < 10.1066] w=0.0744 to align # Constraint # added constraint: constraint((T0301)Y86.CB, (T0301)Q138.CB) [> 3.3355 = 5.5591 < 7.2269] w=0.0744 to align # Constraint # added constraint: constraint((T0301)P53.CB, (T0301)V91.CB) [> 4.6785 = 7.7975 < 10.1367] w=0.0744 to align # Constraint # added constraint: constraint((T0301)G49.CA, (T0301)V91.CB) [> 3.9708 = 6.6179 < 8.6033] w=0.0744 to align # Constraint # added constraint: constraint((T0301)I48.CB, (T0301)V91.CB) [> 3.3309 = 5.5515 < 7.2169] w=0.0744 to align # Constraint # added constraint: constraint((T0301)D286.CB, (T0301)T355.CB) [> 3.9172 = 6.5286 < 8.4872] w=0.0744 to align # Constraint # added constraint: constraint((T0301)R285.CB, (T0301)G354.CA) [> 4.1663 = 6.9438 < 9.0269] w=0.0744 to align # Constraint # added constraint: constraint((T0301)P284.CB, (T0301)G350.CA) [> 3.9045 = 6.5074 < 8.4597] w=0.0744 to align # Constraint # added constraint: constraint((T0301)Q138.CB, (T0301)L179.CB) [> 4.4140 = 7.3567 < 9.5637] w=0.0744 to align # Constraint # added constraint: constraint((T0301)V151.CB, (T0301)A172.CB) [> 3.8248 = 6.3747 < 8.2871] w=0.0744 to align # Constraint # added constraint: constraint((T0301)S152.CB, (T0301)A172.CB) [> 2.5130 = 4.1883 < 5.4448] w=0.0744 to align # Constraint # added constraint: constraint((T0301)G153.CA, (T0301)A172.CB) [> 4.3315 = 7.2192 < 9.3850] w=0.0744 to align # Constraint # added constraint: constraint((T0301)N196.CB, (T0301)M260.CB) [> 4.4048 = 7.3414 < 9.5438] w=0.0744 to align # Constraint # added constraint: constraint((T0301)D199.CB, (T0301)G256.CA) [> 4.6331 = 7.7219 < 10.0385] w=0.0744 to align # Constraint # added constraint: constraint((T0301)I191.CB, (T0301)A269.CB) [> 2.7147 = 4.5245 < 5.8819] w=0.0744 to align # Constraint # added constraint: constraint((T0301)F192.CB, (T0301)A269.CB) [> 4.2848 = 7.1414 < 9.2838] w=0.0744 to align # Constraint # added constraint: constraint((T0301)H57.CB, (T0301)T68.CB) [> 3.2943 = 5.4904 < 7.1375] w=0.0744 to align # Constraint # added constraint: constraint((T0301)L43.CB, (T0301)H57.CB) [> 4.7844 = 7.9740 < 10.3662] w=0.0744 to align # Constraint # added constraint: constraint((T0301)V149.CB, (T0301)P170.CB) [> 4.7964 = 7.9940 < 10.3922] w=0.0744 to align # Constraint # added constraint: constraint((T0301)V198.CB, (T0301)G340.CA) [> 4.7755 = 7.9592 < 10.3469] w=0.0744 to align # Constraint # added constraint: constraint((T0301)I214.CB, (T0301)A321.CB) [> 4.7195 = 7.8659 < 10.2256] w=0.0744 to align # Constraint # added constraint: constraint((T0301)L116.CB, (T0301)Q155.CB) [> 4.7525 = 7.9209 < 10.2972] w=0.0744 to align # Constraint # added constraint: constraint((T0301)D122.CB, (T0301)C132.CB) [> 4.4299 = 7.3832 < 9.5982] w=0.0744 to align # Constraint # added constraint: constraint((T0301)G89.CA, (T0301)L107.CB) [> 4.5586 = 7.5976 < 9.8769] w=0.0744 to align # Constraint # added constraint: constraint((T0301)M317.CB, (T0301)G350.CA) [> 3.7941 = 6.3235 < 8.2205] w=0.0744 to align # Constraint # added constraint: constraint((T0301)S182.CB, (T0301)V371.CB) [> 4.3276 = 7.2127 < 9.3765] w=0.0744 to align # Constraint # added constraint: constraint((T0301)L197.CB, (T0301)A327.CB) [> 4.1192 = 6.8653 < 8.9249] w=0.0744 to align # Constraint # added constraint: constraint((T0301)L197.CB, (T0301)P331.CB) [> 4.1746 = 6.9577 < 9.0451] w=0.0744 to align # Constraint # added constraint: constraint((T0301)G105.CA, (T0301)G160.CA) [> 4.7871 = 7.9785 < 10.3720] w=0.0744 to align # Constraint # added constraint: constraint((T0301)S108.CB, (T0301)G160.CA) [> 4.2867 = 7.1445 < 9.2878] w=0.0744 to align # Constraint # added constraint: constraint((T0301)T109.CB, (T0301)G160.CA) [> 4.4523 = 7.4205 < 9.6467] w=0.0744 to align # Constraint # added constraint: constraint((T0301)I145.CB, (T0301)D161.CB) [> 3.6467 = 6.0778 < 7.9011] w=0.0744 to align # Constraint # added constraint: constraint((T0301)I146.CB, (T0301)G160.CA) [> 4.2058 = 7.0097 < 9.1126] w=0.0744 to align # Constraint # added constraint: constraint((T0301)L235.CB, (T0301)L307.CB) [> 3.2678 = 5.4464 < 7.0803] w=0.0744 to align # Constraint # added constraint: constraint((T0301)L235.CB, (T0301)K277.CB) [> 4.4527 = 7.4212 < 9.6476] w=0.0744 to align # Constraint # added constraint: constraint((T0301)L235.CB, (T0301)F249.CB) [> 3.3062 = 5.5103 < 7.1634] w=0.0744 to align # Constraint # added constraint: constraint((T0301)E163.CB, (T0301)K373.CB) [> 2.6511 = 4.4185 < 5.7440] w=0.0744 to align # Constraint # added constraint: constraint((T0301)G189.CA, (T0301)E226.CB) [> 4.3119 = 7.1866 < 9.3426] w=0.0744 to align # Constraint # added constraint: constraint((T0301)N196.CB, (T0301)L337.CB) [> 3.5963 = 5.9938 < 7.7919] w=0.0742 to align # Constraint # added constraint: constraint((T0301)D165.CB, (T0301)V371.CB) [> 3.3669 = 5.6114 < 7.2949] w=0.0741 to align # Constraint # added constraint: constraint((T0301)P283.CB, (T0301)F349.CB) [> 4.6595 = 7.7658 < 10.0956] w=0.0741 to align # Constraint # added constraint: constraint((T0301)P283.CB, (T0301)V347.CB) [> 4.7248 = 7.8747 < 10.2370] w=0.0741 to align # Constraint # added constraint: constraint((T0301)A190.CB, (T0301)A216.CB) [> 3.5243 = 5.8738 < 7.6360] w=0.0741 to align # Constraint # added constraint: constraint((T0301)A190.CB, (T0301)G217.CA) [> 3.9213 = 6.5355 < 8.4962] w=0.0741 to align # Constraint # added constraint: constraint((T0301)I191.CB, (T0301)I214.CB) [> 4.5246 = 7.5410 < 9.8033] w=0.0741 to align # Constraint # added constraint: constraint((T0301)I191.CB, (T0301)N215.CB) [> 3.8067 = 6.3444 < 8.2478] w=0.0741 to align # Constraint # added constraint: constraint((T0301)I191.CB, (T0301)A216.CB) [> 3.9801 = 6.6334 < 8.6234] w=0.0741 to align # Constraint # added constraint: constraint((T0301)I191.CB, (T0301)G217.CA) [> 4.3694 = 7.2824 < 9.4671] w=0.0741 to align # Constraint # added constraint: constraint((T0301)N196.CB, (T0301)N215.CB) [> 2.8348 = 4.7246 < 6.1420] w=0.0741 to align # Constraint # added constraint: constraint((T0301)K210.CB, (T0301)A323.CB) [> 4.4108 = 7.3513 < 9.5567] w=0.0741 to align # Constraint # added constraint: constraint((T0301)V149.CB, (T0301)K373.CB) [> 4.5259 = 7.5432 < 9.8062] w=0.0741 to align # Constraint # added constraint: constraint((T0301)V149.CB, (T0301)V322.CB) [> 2.8190 = 4.6984 < 6.1079] w=0.0741 to align # Constraint # added constraint: constraint((T0301)H148.CB, (T0301)K373.CB) [> 4.1821 = 6.9701 < 9.0612] w=0.0741 to align # Constraint # added constraint: constraint((T0301)A225.CB, (T0301)V304.CB) [> 4.6509 = 7.7515 < 10.0769] w=0.0741 to align # Constraint # added constraint: constraint((T0301)A211.CB, (T0301)T319.CB) [> 3.9323 = 6.5539 < 8.5201] w=0.0741 to align # Constraint # added constraint: constraint((T0301)A211.CB, (T0301)A320.CB) [> 2.7143 = 4.5237 < 5.8809] w=0.0741 to align # Constraint # added constraint: constraint((T0301)A211.CB, (T0301)A323.CB) [> 3.3669 = 5.6115 < 7.2949] w=0.0741 to align # Constraint # added constraint: constraint((T0301)M213.CB, (T0301)A323.CB) [> 4.1921 = 6.9868 < 9.0829] w=0.0741 to align # Constraint # added constraint: constraint((T0301)M213.CB, (T0301)A327.CB) [> 3.0745 = 5.1242 < 6.6614] w=0.0741 to align # Constraint # added constraint: constraint((T0301)N215.CB, (T0301)V281.CB) [> 4.6449 = 7.7415 < 10.0640] w=0.0741 to align # Constraint # added constraint: constraint((T0301)A216.CB, (T0301)A279.CB) [> 3.3889 = 5.6481 < 7.3425] w=0.0741 to align # Constraint # added constraint: constraint((T0301)A216.CB, (T0301)F280.CB) [> 3.9706 = 6.6177 < 8.6029] w=0.0741 to align # Constraint # added constraint: constraint((T0301)A216.CB, (T0301)V281.CB) [> 2.7116 = 4.5194 < 5.8752] w=0.0741 to align # Constraint # added constraint: constraint((T0301)G217.CA, (T0301)V281.CB) [> 3.2046 = 5.3410 < 6.9433] w=0.0741 to align # Constraint # added constraint: constraint((T0301)G217.CA, (T0301)A282.CB) [> 4.6730 = 7.7883 < 10.1248] w=0.0741 to align # Constraint # added constraint: constraint((T0301)E133.CB, (T0301)Q155.CB) [> 3.7864 = 6.3106 < 8.2038] w=0.0741 to align # Constraint # added constraint: constraint((T0301)G102.CA, (T0301)S152.CB) [> 2.9694 = 4.9491 < 6.4338] w=0.0741 to align # Constraint # added constraint: constraint((T0301)L87.CB, (T0301)S152.CB) [> 4.0803 = 6.8006 < 8.8407] w=0.0741 to align # Constraint # added constraint: constraint((T0301)I48.CB, (T0301)H57.CB) [> 2.7410 = 4.5683 < 5.9387] w=0.0741 to align # Constraint # added constraint: constraint((T0301)L87.CB, (T0301)R135.CB) [> 4.1177 = 6.8628 < 8.9216] w=0.0739 to align # Constraint # added constraint: constraint((T0301)L201.CB, (T0301)I278.CB) [> 4.3888 = 7.3146 < 9.5090] w=0.0739 to align # Constraint # added constraint: constraint((T0301)L201.CB, (T0301)F280.CB) [> 4.2216 = 7.0360 < 9.1468] w=0.0739 to align # Constraint # added constraint: constraint((T0301)V203.CB, (T0301)V223.CB) [> 4.7525 = 7.9209 < 10.2971] w=0.0739 to align # Constraint # added constraint: constraint((T0301)D165.CB, (T0301)A374.CB) [> 3.8446 = 6.4076 < 8.3299] w=0.0739 to align # Constraint # added constraint: constraint((T0301)G89.CA, (T0301)S108.CB) [> 4.7682 = 7.9470 < 10.3312] w=0.0737 to align # Constraint # added constraint: constraint((T0301)W100.CB, (T0301)G166.CA) [> 4.6799 = 7.7998 < 10.1398] w=0.0737 to align # Constraint # added constraint: constraint((T0301)I145.CB, (T0301)V167.CB) [> 4.7498 = 7.9163 < 10.2912] w=0.0737 to align # Constraint # added constraint: constraint((T0301)G166.CA, (T0301)T319.CB) [> 4.7668 = 7.9447 < 10.3282] w=0.0737 to align # Constraint # added constraint: constraint((T0301)G49.CA, (T0301)S69.CB) [> 3.8719 = 6.4532 < 8.3892] w=0.0737 to align # Constraint # added constraint: constraint((T0301)S50.CB, (T0301)S66.CB) [> 3.5677 = 5.9461 < 7.7299] w=0.0737 to align # Constraint # added constraint: constraint((T0301)G49.CA, (T0301)S67.CB) [> 4.3925 = 7.3209 < 9.5172] w=0.0737 to align # Constraint # added constraint: constraint((T0301)V281.CB, (T0301)V347.CB) [> 4.6828 = 7.8047 < 10.1461] w=0.0737 to align # Constraint # added constraint: constraint((T0301)G21.CA, (T0301)F114.CB) [> 4.7617 = 7.9361 < 10.3170] w=0.0737 to align # Constraint # added constraint: constraint((T0301)L116.CB, (T0301)A147.CB) [> 4.7914 = 7.9857 < 10.3815] w=0.0737 to align # Constraint # added constraint: constraint((T0301)G166.CA, (T0301)K373.CB) [> 4.7294 = 7.8822 < 10.2469] w=0.0737 to align # Constraint # added constraint: constraint((T0301)L164.CB, (T0301)L337.CB) [> 3.0096 = 5.0160 < 6.5209] w=0.0735 to align # Constraint # added constraint: constraint((T0301)W100.CB, (T0301)G160.CA) [> 4.3253 = 7.2088 < 9.3714] w=0.0735 to align # Constraint # added constraint: constraint((T0301)C71.CB, (T0301)D94.CB) [> 4.7926 = 7.9876 < 10.3838] w=0.0735 to align # Constraint # added constraint: constraint((T0301)N336.CB, (T0301)W369.CB) [> 3.7114 = 6.1857 < 8.0414] w=0.0735 to align # Constraint # added constraint: constraint((T0301)T326.CB, (T0301)L337.CB) [> 4.1506 = 6.9176 < 8.9929] w=0.0735 to align # Constraint # added constraint: constraint((T0301)G325.CA, (T0301)N336.CB) [> 3.7425 = 6.2376 < 8.1089] w=0.0735 to align # Constraint # added constraint: constraint((T0301)V304.CB, (T0301)L356.CB) [> 4.6044 = 7.6740 < 9.9763] w=0.0735 to align # Constraint # added constraint: constraint((T0301)N224.CB, (T0301)A327.CB) [> 4.7092 = 7.8486 < 10.2032] w=0.0735 to align # Constraint # added constraint: constraint((T0301)N224.CB, (T0301)A338.CB) [> 4.6064 = 7.6774 < 9.9806] w=0.0735 to align # Constraint # added constraint: constraint((T0301)L116.CB, (T0301)A172.CB) [> 4.7161 = 7.8602 < 10.2183] w=0.0733 to align # Constraint # added constraint: constraint((T0301)G49.CA, (T0301)D94.CB) [> 3.5297 = 5.8829 < 7.6477] w=0.0733 to align # Constraint # added constraint: constraint((T0301)V221.CB, (T0301)G256.CA) [> 4.5935 = 7.6559 < 9.9527] w=0.0733 to align # Constraint # added constraint: constraint((T0301)A216.CB, (T0301)V371.CB) [> 4.3991 = 7.3319 < 9.5315] w=0.0733 to align # Constraint # added constraint: constraint((T0301)P204.CB, (T0301)A255.CB) [> 3.8154 = 6.3591 < 8.2668] w=0.0733 to align # Constraint # added constraint: constraint((T0301)G89.CA, (T0301)I145.CB) [> 4.3755 = 7.2924 < 9.4802] w=0.0716 to align # Constraint # added constraint: constraint((T0301)W100.CB, (T0301)D187.CB) [> 3.5280 = 5.8800 < 7.6440] w=0.0709 to align # Constraint # added constraint: constraint((T0301)A211.CB, (T0301)L303.CB) [> 4.1361 = 6.8935 < 8.9616] w=0.0709 to align # Constraint # added constraint: constraint((T0301)A211.CB, (T0301)V304.CB) [> 2.1786 = 3.6311 < 4.7204] w=0.0709 to align # Constraint # added constraint: constraint((T0301)N106.CB, (T0301)G354.CA) [> 3.1591 = 5.2653 < 6.8448] w=0.0702 to align # Constraint # added constraint: constraint((T0301)L107.CB, (T0301)A147.CB) [> 4.0430 = 6.7383 < 8.7598] w=0.0700 to align # Constraint # added constraint: constraint((T0301)I263.CB, (T0301)T275.CB) [> 4.0847 = 6.8078 < 8.8502] w=0.0693 to align # Constraint # added constraint: constraint((T0301)G154.CA, (T0301)G217.CA) [> 3.6469 = 6.0782 < 7.9017] w=0.0689 to align # Constraint # added constraint: constraint((T0301)A113.CB, (T0301)I145.CB) [> 3.4149 = 5.6915 < 7.3989] w=0.0686 to align # Constraint # added constraint: constraint((T0301)L116.CB, (T0301)I126.CB) [> 3.2357 = 5.3928 < 7.0106] w=0.0683 to align # Constraint # added constraint: constraint((T0301)A225.CB, (T0301)I252.CB) [> 4.6322 = 7.7204 < 10.0365] w=0.0682 to align # Constraint # added constraint: constraint((T0301)F222.CB, (T0301)L302.CB) [> 2.8418 = 4.7363 < 6.1572] w=0.0682 to align # Constraint # added constraint: constraint((T0301)Y88.CB, (T0301)A139.CB) [> 4.0570 = 6.7616 < 8.7901] w=0.0681 to align # Constraint # added constraint: constraint((T0301)L87.CB, (T0301)A139.CB) [> 4.4601 = 7.4336 < 9.6637] w=0.0681 to align # Constraint # added constraint: constraint((T0301)L14.CB, (T0301)R25.CB) [> 3.4563 = 5.7606 < 7.4887] w=0.0673 to align # Constraint # added constraint: constraint((T0301)C33.CB, (T0301)S75.CB) [> 3.9465 = 6.5775 < 8.5508] w=0.0673 to align # Constraint # added constraint: constraint((T0301)D200.CB, (T0301)G261.CA) [> 4.2441 = 7.0735 < 9.1955] w=0.0671 to align # Constraint # added constraint: constraint((T0301)R305.CB, (T0301)A315.CB) [> 4.0111 = 6.6852 < 8.6907] w=0.0670 to align # Constraint # added constraint: constraint((T0301)E163.CB, (T0301)E202.CB) [> 2.5515 = 4.2526 < 5.5283] w=0.0667 to align # Constraint # added constraint: constraint((T0301)R305.CB, (T0301)A320.CB) [> 3.3129 = 5.5216 < 7.1781] w=0.0664 to align # Constraint # added constraint: constraint((T0301)L303.CB, (T0301)M317.CB) [> 3.9378 = 6.5629 < 8.5318] w=0.0664 to align # Constraint # added constraint: constraint((T0301)A320.CB, (T0301)A360.CB) [> 3.6130 = 6.0216 < 7.8281] w=0.0633 to align # Constraint # added constraint: constraint((T0301)L197.CB, (T0301)F222.CB) [> 3.5111 = 5.8518 < 7.6073] w=0.0633 to align # Constraint # added constraint: constraint((T0301)N196.CB, (T0301)N224.CB) [> 3.2396 = 5.3994 < 7.0192] w=0.0617 to align # Constraint # added constraint: constraint((T0301)I126.CB, (T0301)I136.CB) [> 3.7992 = 6.3319 < 8.2315] w=0.0616 to align # Constraint # added constraint: constraint((T0301)N215.CB, (T0301)G256.CA) [> 4.6381 = 7.7301 < 10.0491] w=0.0612 to align # Constraint # added constraint: constraint((T0301)G217.CA, (T0301)F249.CB) [> 3.0852 = 5.1420 < 6.6846] w=0.0612 to align # Constraint # added constraint: constraint((T0301)A315.CB, (T0301)A338.CB) [> 3.2126 = 5.3544 < 6.9607] w=0.0605 to align # Constraint # added constraint: constraint((T0301)V335.CB, (T0301)V347.CB) [> 2.8300 = 4.7167 < 6.1317] w=0.0598 to align # Constraint # added constraint: constraint((T0301)A306.CB, (T0301)A321.CB) [> 3.6019 = 6.0032 < 7.8042] w=0.0596 to align # Constraint # added constraint: constraint((T0301)V223.CB, (T0301)L302.CB) [> 3.6284 = 6.0473 < 7.8614] w=0.0577 to align # Constraint # added constraint: constraint((T0301)V221.CB, (T0301)V281.CB) [> 4.2200 = 7.0334 < 9.1434] w=0.0577 to align # Constraint # added constraint: constraint((T0301)V221.CB, (T0301)T319.CB) [> 4.6883 = 7.8137 < 10.1579] w=0.0577 to align # Constraint # added constraint: constraint((T0301)V221.CB, (T0301)V322.CB) [> 4.2885 = 7.1476 < 9.2919] w=0.0577 to align # Constraint # added constraint: constraint((T0301)V223.CB, (T0301)A282.CB) [> 3.9086 = 6.5143 < 8.4686] w=0.0577 to align # Constraint # added constraint: constraint((T0301)G217.CA, (T0301)T275.CB) [> 4.1233 = 6.8722 < 8.9339] w=0.0577 to align # Constraint # added constraint: constraint((T0301)N106.CB, (T0301)L312.CB) [> 4.7038 = 7.8396 < 10.1915] w=0.0577 to align # Constraint # added constraint: constraint((T0301)L87.CB, (T0301)A111.CB) [> 4.5031 = 7.5052 < 9.7568] w=0.0577 to align # Constraint # added constraint: constraint((T0301)F23.CB, (T0301)A113.CB) [> 4.7866 = 7.9777 < 10.3710] w=0.0577 to align # Constraint # added constraint: constraint((T0301)Y13.CB, (T0301)V47.CB) [> 4.7030 = 7.8384 < 10.1899] w=0.0577 to align # Constraint # added constraint: constraint((T0301)T12.CB, (T0301)G110.CA) [> 4.6771 = 7.7951 < 10.1337] w=0.0577 to align # Constraint # added constraint: constraint((T0301)V347.CB, (T0301)L356.CB) [> 2.2473 = 3.7455 < 4.8692] w=0.0577 to align # Constraint # added constraint: constraint((T0301)A320.CB, (T0301)V347.CB) [> 4.6767 = 7.7945 < 10.1328] w=0.0577 to align # Constraint # added constraint: constraint((T0301)M316.CB, (T0301)V371.CB) [> 3.0025 = 5.0042 < 6.5055] w=0.0577 to align # Constraint # added constraint: constraint((T0301)M316.CB, (T0301)V347.CB) [> 4.3305 = 7.2175 < 9.3827] w=0.0577 to align # Constraint # added constraint: constraint((T0301)K277.CB, (T0301)A315.CB) [> 4.1249 = 6.8749 < 8.9374] w=0.0577 to align # Constraint # added constraint: constraint((T0301)A279.CB, (T0301)A315.CB) [> 3.2863 = 5.4772 < 7.1203] w=0.0577 to align # Constraint # added constraint: constraint((T0301)V281.CB, (T0301)T319.CB) [> 3.8740 = 6.4567 < 8.3937] w=0.0577 to align # Constraint # added constraint: constraint((T0301)V281.CB, (T0301)V322.CB) [> 4.2486 = 7.0810 < 9.2053] w=0.0577 to align # Constraint # added constraint: constraint((T0301)D165.CB, (T0301)I174.CB) [> 3.9422 = 6.5703 < 8.5413] w=0.0573 to align # Constraint # added constraint: constraint((T0301)R259.CB, (T0301)I324.CB) [> 3.8931 = 6.4884 < 8.4350] w=0.0552 to align # Constraint # added constraint: constraint((T0301)A338.CB, (T0301)V347.CB) [> 4.0208 = 6.7013 < 8.7117] w=0.0548 to align # Constraint # added constraint: constraint((T0301)W137.CB, (T0301)L303.CB) [> 4.7058 = 7.8430 < 10.1959] w=0.0535 to align # Constraint # added constraint: constraint((T0301)W137.CB, (T0301)L302.CB) [> 2.8397 = 4.7329 < 6.1527] w=0.0535 to align # Constraint # added constraint: constraint((T0301)R135.CB, (T0301)V304.CB) [> 2.9154 = 4.8590 < 6.3168] w=0.0535 to align # Constraint # added constraint: constraint((T0301)R135.CB, (T0301)L303.CB) [> 4.1610 = 6.9350 < 9.0155] w=0.0535 to align # Constraint # added constraint: constraint((T0301)R135.CB, (T0301)L302.CB) [> 3.5017 = 5.8361 < 7.5869] w=0.0535 to align # Constraint # added constraint: constraint((T0301)R135.CB, (T0301)A211.CB) [> 4.5729 = 7.6215 < 9.9079] w=0.0535 to align # Constraint # added constraint: constraint((T0301)V134.CB, (T0301)A306.CB) [> 4.7311 = 7.8852 < 10.2508] w=0.0535 to align # Constraint # added constraint: constraint((T0301)V134.CB, (T0301)R305.CB) [> 3.1912 = 5.3186 < 6.9142] w=0.0535 to align # Constraint # added constraint: constraint((T0301)V134.CB, (T0301)V304.CB) [> 4.2113 = 7.0188 < 9.1244] w=0.0535 to align # Constraint # added constraint: constraint((T0301)C132.CB, (T0301)A306.CB) [> 4.1220 = 6.8699 < 8.9309] w=0.0535 to align # Constraint # added constraint: constraint((T0301)I93.CB, (T0301)T355.CB) [> 4.3477 = 7.2461 < 9.4199] w=0.0535 to align # Constraint # added constraint: constraint((T0301)S92.CB, (T0301)T355.CB) [> 2.9694 = 4.9489 < 6.4336] w=0.0535 to align # Constraint # added constraint: constraint((T0301)V91.CB, (T0301)L356.CB) [> 3.0135 = 5.0225 < 6.5293] w=0.0535 to align # Constraint # added constraint: constraint((T0301)Y88.CB, (T0301)A360.CB) [> 4.7221 = 7.8702 < 10.2312] w=0.0535 to align # Constraint # added constraint: constraint((T0301)L87.CB, (T0301)A360.CB) [> 3.2488 = 5.4147 < 7.0391] w=0.0535 to align # Constraint # added constraint: constraint((T0301)V121.CB, (T0301)A315.CB) [> 4.6714 = 7.7857 < 10.1214] w=0.0535 to align # Constraint # added constraint: constraint((T0301)L116.CB, (T0301)A306.CB) [> 4.7432 = 7.9054 < 10.2770] w=0.0535 to align # Constraint # added constraint: constraint((T0301)G110.CA, (T0301)V347.CB) [> 4.0762 = 6.7937 < 8.8318] w=0.0535 to align # Constraint # added constraint: constraint((T0301)T109.CB, (T0301)L356.CB) [> 4.2583 = 7.0972 < 9.2264] w=0.0535 to align # Constraint # added constraint: constraint((T0301)N106.CB, (T0301)F349.CB) [> 4.1773 = 6.9622 < 9.0509] w=0.0535 to align # Constraint # added constraint: constraint((T0301)T208.CB, (T0301)L307.CB) [> 3.0713 = 5.1189 < 6.6546] w=0.0535 to align # Constraint # added constraint: constraint((T0301)H313.CB, (T0301)A338.CB) [> 2.9831 = 4.9718 < 6.4633] w=0.0535 to align # Constraint # added constraint: constraint((T0301)Y287.CB, (T0301)A296.CB) [> 4.6623 = 7.7704 < 10.1016] w=0.0535 to align # Constraint # added constraint: constraint((T0301)M213.CB, (T0301)L302.CB) [> 3.1185 = 5.1975 < 6.7567] w=0.0535 to align # Constraint # added constraint: constraint((T0301)A211.CB, (T0301)L302.CB) [> 4.3712 = 7.2853 < 9.4709] w=0.0535 to align # Constraint # added constraint: constraint((T0301)I191.CB, (T0301)Y287.CB) [> 2.7250 = 4.5417 < 5.9042] w=0.0535 to align # Constraint # added constraint: constraint((T0301)A190.CB, (T0301)V295.CB) [> 4.7020 = 7.8367 < 10.1878] w=0.0535 to align # Constraint # added constraint: constraint((T0301)T144.CB, (T0301)G166.CA) [> 3.8278 = 6.3796 < 8.2935] w=0.0535 to align # Constraint # added constraint: constraint((T0301)K143.CB, (T0301)G166.CA) [> 3.7764 = 6.2940 < 8.1822] w=0.0535 to align # Constraint # added constraint: constraint((T0301)N140.CB, (T0301)V295.CB) [> 4.0304 = 6.7174 < 8.7326] w=0.0535 to align # Constraint # added constraint: constraint((T0301)L201.CB, (T0301)R344.CB) [> 3.5571 = 5.9285 < 7.7071] w=0.0535 to align # Constraint # added constraint: constraint((T0301)L201.CB, (T0301)A338.CB) [> 4.7859 = 7.9765 < 10.3695] w=0.0535 to align # Constraint # added constraint: constraint((T0301)D200.CB, (T0301)R344.CB) [> 3.1286 = 5.2143 < 6.7786] w=0.0535 to align # Constraint # added constraint: constraint((T0301)G195.CA, (T0301)V347.CB) [> 4.4601 = 7.4334 < 9.6634] w=0.0535 to align # Constraint # added constraint: constraint((T0301)G195.CA, (T0301)Y287.CB) [> 4.0363 = 6.7271 < 8.7452] w=0.0535 to align # Constraint # added constraint: constraint((T0301)P193.CB, (T0301)F349.CB) [> 3.6651 = 6.1085 < 7.9411] w=0.0535 to align # Constraint # added constraint: constraint((T0301)P193.CB, (T0301)R288.CB) [> 2.8728 = 4.7880 < 6.2244] w=0.0535 to align # Constraint # added constraint: constraint((T0301)P193.CB, (T0301)Y287.CB) [> 4.0536 = 6.7560 < 8.7827] w=0.0535 to align # Constraint # added constraint: constraint((T0301)L116.CB, (T0301)A171.CB) [> 3.3653 = 5.6088 < 7.2915] w=0.0531 to align # Constraint # added constraint: constraint((T0301)H117.CB, (T0301)P170.CB) [> 4.4138 = 7.3562 < 9.5631] w=0.0531 to align # Constraint # added constraint: constraint((T0301)G119.CA, (T0301)F169.CB) [> 3.9057 = 6.5095 < 8.4624] w=0.0531 to align # Constraint # added constraint: constraint((T0301)L14.CB, (T0301)V72.CB) [> 4.3164 = 7.1940 < 9.3522] w=0.0531 to align # Constraint # added constraint: constraint((T0301)R15.CB, (T0301)L74.CB) [> 3.3596 = 5.5994 < 7.2792] w=0.0531 to align # Constraint # added constraint: constraint((T0301)R15.CB, (T0301)A113.CB) [> 3.7222 = 6.2036 < 8.0647] w=0.0531 to align # Constraint # added constraint: constraint((T0301)R15.CB, (T0301)F114.CB) [> 4.6745 = 7.7908 < 10.1280] w=0.0531 to align # Constraint # added constraint: constraint((T0301)S69.CB, (T0301)M316.CB) [> 4.3321 = 7.2202 < 9.3862] w=0.0531 to align # Constraint # added constraint: constraint((T0301)C71.CB, (T0301)N106.CB) [> 4.5135 = 7.5226 < 9.7793] w=0.0531 to align # Constraint # added constraint: constraint((T0301)L87.CB, (T0301)F114.CB) [> 4.4104 = 7.3507 < 9.5559] w=0.0531 to align # Constraint # added constraint: constraint((T0301)V91.CB, (T0301)N106.CB) [> 2.9483 = 4.9138 < 6.3879] w=0.0531 to align # Constraint # added constraint: constraint((T0301)I9.CB, (T0301)M317.CB) [> 2.5933 = 4.3222 < 5.6188] w=0.0531 to align # Constraint # added constraint: constraint((T0301)P10.CB, (T0301)M316.CB) [> 4.4636 = 7.4393 < 9.6711] w=0.0531 to align # Constraint # added constraint: constraint((T0301)T12.CB, (T0301)K70.CB) [> 4.7497 = 7.9162 < 10.2911] w=0.0531 to align # Constraint # added constraint: constraint((T0301)T12.CB, (T0301)C71.CB) [> 2.5098 = 4.1831 < 5.4380] w=0.0531 to align # Constraint # added constraint: constraint((T0301)Y13.CB, (T0301)C71.CB) [> 4.3461 = 7.2435 < 9.4165] w=0.0531 to align # Constraint # added constraint: constraint((T0301)Y13.CB, (T0301)V72.CB) [> 3.0555 = 5.0925 < 6.6203] w=0.0531 to align # Constraint # added constraint: constraint((T0301)V149.CB, (T0301)V358.CB) [> 3.4952 = 5.8254 < 7.5730] w=0.0531 to align # Constraint # added constraint: constraint((T0301)A216.CB, (T0301)L356.CB) [> 3.7702 = 6.2837 < 8.1689] w=0.0531 to align # Constraint # added constraint: constraint((T0301)I239.CB, (T0301)L303.CB) [> 3.8026 = 6.3377 < 8.2390] w=0.0531 to align # Constraint # added constraint: constraint((T0301)M317.CB, (T0301)V347.CB) [> 3.5621 = 5.9368 < 7.7179] w=0.0531 to align # Constraint # added constraint: constraint((T0301)M317.CB, (T0301)A360.CB) [> 4.6492 = 7.7486 < 10.0732] w=0.0531 to align # Constraint # added constraint: constraint((T0301)V322.CB, (T0301)F349.CB) [> 3.8679 = 6.4466 < 8.3806] w=0.0531 to align # Constraint # added constraint: constraint((T0301)A323.CB, (T0301)L356.CB) [> 3.2637 = 5.4395 < 7.0713] w=0.0531 to align # Constraint # added constraint: constraint((T0301)T326.CB, (T0301)H351.CB) [> 3.3803 = 5.6339 < 7.3240] w=0.0531 to align # Constraint # added constraint: constraint((T0301)T326.CB, (T0301)L356.CB) [> 3.0888 = 5.1480 < 6.6924] w=0.0531 to align # Constraint # added constraint: constraint((T0301)L107.CB, (T0301)V134.CB) [> 3.5118 = 5.8530 < 7.6090] w=0.0531 to align # Constraint # added constraint: constraint((T0301)S108.CB, (T0301)V358.CB) [> 4.5269 = 7.5449 < 9.8083] w=0.0531 to align # Constraint # added constraint: constraint((T0301)S108.CB, (T0301)A360.CB) [> 3.4145 = 5.6908 < 7.3980] w=0.0531 to align # Constraint # added constraint: constraint((T0301)I146.CB, (T0301)A360.CB) [> 4.4434 = 7.4057 < 9.6274] w=0.0531 to align # Constraint # added constraint: constraint((T0301)V335.CB, (T0301)A346.CB) [> 3.6676 = 6.1128 < 7.9466] w=0.0528 to align # Constraint # added constraint: constraint((T0301)S108.CB, (T0301)F349.CB) [> 3.1423 = 5.2371 < 6.8082] w=0.0523 to align # Constraint # added constraint: constraint((T0301)S108.CB, (T0301)L201.CB) [> 4.5632 = 7.6054 < 9.8870] w=0.0523 to align # Constraint # added constraint: constraint((T0301)L107.CB, (T0301)L197.CB) [> 4.6721 = 7.7869 < 10.1230] w=0.0523 to align # Constraint # added constraint: constraint((T0301)N106.CB, (T0301)A147.CB) [> 4.3249 = 7.2081 < 9.3706] w=0.0523 to align # Constraint # added constraint: constraint((T0301)N106.CB, (T0301)I145.CB) [> 4.0680 = 6.7800 < 8.8141] w=0.0523 to align # Constraint # added constraint: constraint((T0301)N106.CB, (T0301)A139.CB) [> 3.5721 = 5.9535 < 7.7395] w=0.0523 to align # Constraint # added constraint: constraint((T0301)F114.CB, (T0301)V149.CB) [> 2.3872 = 3.9786 < 5.1722] w=0.0523 to align # Constraint # added constraint: constraint((T0301)F114.CB, (T0301)A147.CB) [> 4.6802 = 7.8004 < 10.1405] w=0.0523 to align # Constraint # added constraint: constraint((T0301)F114.CB, (T0301)V134.CB) [> 2.8631 = 4.7718 < 6.2034] w=0.0523 to align # Constraint # added constraint: constraint((T0301)A113.CB, (T0301)G256.CA) [> 3.5348 = 5.8914 < 7.6588] w=0.0523 to align # Constraint # added constraint: constraint((T0301)A113.CB, (T0301)A255.CB) [> 4.5724 = 7.6207 < 9.9069] w=0.0523 to align # Constraint # added constraint: constraint((T0301)A113.CB, (T0301)R135.CB) [> 4.5637 = 7.6062 < 9.8881] w=0.0523 to align # Constraint # added constraint: constraint((T0301)A113.CB, (T0301)V134.CB) [> 2.6800 = 4.4666 < 5.8066] w=0.0523 to align # Constraint # added constraint: constraint((T0301)A111.CB, (T0301)V304.CB) [> 4.3488 = 7.2479 < 9.4223] w=0.0523 to align # Constraint # added constraint: constraint((T0301)A111.CB, (T0301)L201.CB) [> 2.0913 = 3.4854 < 4.5311] w=0.0523 to align # Constraint # added constraint: constraint((T0301)G110.CA, (T0301)L201.CB) [> 4.4812 = 7.4687 < 9.7093] w=0.0523 to align # Constraint # added constraint: constraint((T0301)G110.CA, (T0301)V149.CB) [> 3.8198 = 6.3664 < 8.2763] w=0.0523 to align # Constraint # added constraint: constraint((T0301)G110.CA, (T0301)V134.CB) [> 3.1686 = 5.2810 < 6.8653] w=0.0523 to align # Constraint # added constraint: constraint((T0301)D94.CB, (T0301)S379.CB) [> 4.0834 = 6.8057 < 8.8474] w=0.0523 to align # Constraint # added constraint: constraint((T0301)I93.CB, (T0301)S379.CB) [> 2.8894 = 4.8157 < 6.2604] w=0.0523 to align # Constraint # added constraint: constraint((T0301)I93.CB, (T0301)I375.CB) [> 4.1028 = 6.8380 < 8.8895] w=0.0523 to align # Constraint # added constraint: constraint((T0301)V91.CB, (T0301)S379.CB) [> 4.0796 = 6.7994 < 8.8392] w=0.0523 to align # Constraint # added constraint: constraint((T0301)V91.CB, (T0301)M376.CB) [> 4.0842 = 6.8070 < 8.8490] w=0.0523 to align # Constraint # added constraint: constraint((T0301)C33.CB, (T0301)D94.CB) [> 3.4441 = 5.7402 < 7.4623] w=0.0523 to align # Constraint # added constraint: constraint((T0301)C33.CB, (T0301)S92.CB) [> 3.2944 = 5.4907 < 7.1379] w=0.0523 to align # Constraint # added constraint: constraint((T0301)P30.CB, (T0301)L383.CB) [> 4.1895 = 6.9826 < 9.0773] w=0.0523 to align # Constraint # added constraint: constraint((T0301)P30.CB, (T0301)I382.CB) [> 4.3590 = 7.2649 < 9.4444] w=0.0523 to align # Constraint # added constraint: constraint((T0301)L29.CB, (T0301)L383.CB) [> 4.1057 = 6.8428 < 8.8956] w=0.0523 to align # Constraint # added constraint: constraint((T0301)V98.CB, (T0301)S379.CB) [> 4.0883 = 6.8138 < 8.8579] w=0.0523 to align # Constraint # added constraint: constraint((T0301)V98.CB, (T0301)M376.CB) [> 3.4112 = 5.6854 < 7.3910] w=0.0523 to align # Constraint # added constraint: constraint((T0301)D94.CB, (T0301)I382.CB) [> 4.0045 = 6.6741 < 8.6763] w=0.0523 to align # Constraint # added constraint: constraint((T0301)A211.CB, (T0301)F349.CB) [> 4.4890 = 7.4816 < 9.7261] w=0.0523 to align # Constraint # added constraint: constraint((T0301)L201.CB, (T0301)R305.CB) [> 4.4231 = 7.3718 < 9.5833] w=0.0523 to align # Constraint # added constraint: constraint((T0301)L201.CB, (T0301)V304.CB) [> 3.1199 = 5.1999 < 6.7598] w=0.0523 to align # Constraint # added constraint: constraint((T0301)L197.CB, (T0301)V347.CB) [> 4.3540 = 7.2566 < 9.4336] w=0.0523 to align # Constraint # added constraint: constraint((T0301)A190.CB, (T0301)K373.CB) [> 2.4827 = 4.1378 < 5.3791] w=0.0523 to align # Constraint # added constraint: constraint((T0301)G189.CA, (T0301)M376.CB) [> 4.5959 = 7.6599 < 9.9578] w=0.0523 to align # Constraint # added constraint: constraint((T0301)G189.CA, (T0301)K373.CB) [> 3.3228 = 5.5380 < 7.1994] w=0.0523 to align # Constraint # added constraint: constraint((T0301)L235.CB, (T0301)F349.CB) [> 4.4479 = 7.4131 < 9.6371] w=0.0523 to align # Constraint # added constraint: constraint((T0301)N215.CB, (T0301)V347.CB) [> 3.9001 = 6.5002 < 8.4502] w=0.0523 to align # Constraint # added constraint: constraint((T0301)L116.CB, (T0301)M260.CB) [> 2.9738 = 4.9564 < 6.4433] w=0.0523 to align # Constraint # added constraint: constraint((T0301)L116.CB, (T0301)A257.CB) [> 4.0064 = 6.6774 < 8.6806] w=0.0523 to align # Constraint # added constraint: constraint((T0301)L116.CB, (T0301)G256.CA) [> 3.2366 = 5.3944 < 7.0127] w=0.0523 to align # Constraint # added constraint: constraint((T0301)L116.CB, (T0301)V203.CB) [> 3.7100 = 6.1833 < 8.0383] w=0.0523 to align # Constraint # added constraint: constraint((T0301)L116.CB, (T0301)G154.CA) [> 4.2316 = 7.0526 < 9.1684] w=0.0523 to align # Constraint # added constraint: constraint((T0301)A115.CB, (T0301)V203.CB) [> 3.0966 = 5.1610 < 6.7094] w=0.0523 to align # Constraint # added constraint: constraint((T0301)A115.CB, (T0301)L201.CB) [> 2.3247 = 3.8745 < 5.0369] w=0.0523 to align # Constraint # added constraint: constraint((T0301)A115.CB, (T0301)G154.CA) [> 2.7601 = 4.6002 < 5.9803] w=0.0523 to align # Constraint # added constraint: constraint((T0301)F114.CB, (T0301)L201.CB) [> 3.9498 = 6.5830 < 8.5578] w=0.0523 to align # Constraint # added constraint: constraint((T0301)G154.CA, (T0301)L201.CB) [> 4.7065 = 7.8442 < 10.1975] w=0.0523 to align # Constraint # added constraint: constraint((T0301)V304.CB, (T0301)G325.CA) [> 4.4476 = 7.4126 < 9.6364] w=0.0521 to align # Constraint # added constraint: constraint((T0301)V221.CB, (T0301)M260.CB) [> 4.4235 = 7.3726 < 9.5843] w=0.0520 to align # Constraint # added constraint: constraint((T0301)V254.CB, (T0301)R272.CB) [> 3.0687 = 5.1146 < 6.6490] w=0.0513 to align # Constraint # added constraint: constraint((T0301)P193.CB, (T0301)E238.CB) [> 3.7415 = 6.2359 < 8.1066] w=0.0503 to align # Constraint # added constraint: constraint((T0301)A225.CB, (T0301)A321.CB) [> 2.8971 = 4.8285 < 6.2770] w=0.0503 to align # Constraint # added constraint: constraint((T0301)A225.CB, (T0301)V322.CB) [> 4.4937 = 7.4895 < 9.7364] w=0.0503 to align # Constraint # added constraint: constraint((T0301)A225.CB, (T0301)A323.CB) [> 4.1805 = 6.9675 < 9.0577] w=0.0503 to align # Constraint # added constraint: constraint((T0301)G256.CA, (T0301)A323.CB) [> 4.1324 = 6.8873 < 8.9535] w=0.0503 to align # Constraint # added constraint: constraint((T0301)G256.CA, (T0301)A327.CB) [> 2.8392 = 4.7320 < 6.1516] w=0.0503 to align # Constraint # added constraint: constraint((T0301)A257.CB, (T0301)A327.CB) [> 4.2042 = 7.0070 < 9.1091] w=0.0503 to align # Constraint # added constraint: constraint((T0301)M260.CB, (T0301)A327.CB) [> 2.3723 = 3.9538 < 5.1399] w=0.0503 to align # Constraint # added constraint: constraint((T0301)G261.CA, (T0301)A327.CB) [> 4.6952 = 7.8253 < 10.1728] w=0.0503 to align # Constraint # added constraint: constraint((T0301)K277.CB, (T0301)A327.CB) [> 4.6089 = 7.6815 < 9.9860] w=0.0503 to align # Constraint # added constraint: constraint((T0301)L303.CB, (T0301)A321.CB) [> 3.5535 = 5.9224 < 7.6992] w=0.0503 to align # Constraint # added constraint: constraint((T0301)K210.CB, (T0301)T275.CB) [> 3.4296 = 5.7161 < 7.4309] w=0.0503 to align # Constraint # added constraint: constraint((T0301)A211.CB, (T0301)T275.CB) [> 3.3271 = 5.5452 < 7.2088] w=0.0503 to align # Constraint # added constraint: constraint((T0301)M213.CB, (T0301)K277.CB) [> 4.5020 = 7.5033 < 9.7543] w=0.0503 to align # Constraint # added constraint: constraint((T0301)M213.CB, (T0301)A279.CB) [> 4.7915 = 7.9859 < 10.3816] w=0.0503 to align # Constraint # added constraint: constraint((T0301)I214.CB, (T0301)R259.CB) [> 4.4893 = 7.4822 < 9.7268] w=0.0503 to align # Constraint # added constraint: constraint((T0301)N215.CB, (T0301)A279.CB) [> 4.6599 = 7.7664 < 10.0964] w=0.0503 to align # Constraint # added constraint: constraint((T0301)N215.CB, (T0301)A282.CB) [> 4.2696 = 7.1160 < 9.2508] w=0.0503 to align # Constraint # added constraint: constraint((T0301)A225.CB, (T0301)A320.CB) [> 1.6911 = 2.8184 < 3.6640] w=0.0503 to align # Constraint # added constraint: constraint((T0301)N224.CB, (T0301)A321.CB) [> 3.5600 = 5.9333 < 7.7133] w=0.0503 to align # Constraint # added constraint: constraint((T0301)N224.CB, (T0301)L303.CB) [> 3.2349 = 5.3915 < 7.0090] w=0.0503 to align # Constraint # added constraint: constraint((T0301)V223.CB, (T0301)V322.CB) [> 4.7696 = 7.9493 < 10.3341] w=0.0503 to align # Constraint # added constraint: constraint((T0301)V223.CB, (T0301)A321.CB) [> 1.7542 = 2.9237 < 3.8008] w=0.0503 to align # Constraint # added constraint: constraint((T0301)V223.CB, (T0301)A320.CB) [> 3.9135 = 6.5224 < 8.4792] w=0.0503 to align # Constraint # added constraint: constraint((T0301)V223.CB, (T0301)L303.CB) [> 4.5235 = 7.5391 < 9.8008] w=0.0503 to align # Constraint # added constraint: constraint((T0301)F222.CB, (T0301)A282.CB) [> 4.0048 = 6.6747 < 8.6771] w=0.0503 to align # Constraint # added constraint: constraint((T0301)T220.CB, (T0301)A282.CB) [> 4.7378 = 7.8963 < 10.2652] w=0.0503 to align # Constraint # added constraint: constraint((T0301)A216.CB, (T0301)A282.CB) [> 3.8913 = 6.4855 < 8.4312] w=0.0503 to align # Constraint # added constraint: constraint((T0301)R25.CB, (T0301)G110.CA) [> 4.0616 = 6.7693 < 8.8001] w=0.0496 to align # Constraint # added constraint: constraint((T0301)T68.CB, (T0301)I93.CB) [> 3.8654 = 6.4424 < 8.3751] w=0.0496 to align # Constraint # added constraint: constraint((T0301)F23.CB, (T0301)K70.CB) [> 3.6735 = 6.1225 < 7.9593] w=0.0496 to align # Constraint # added constraint: constraint((T0301)A113.CB, (T0301)A171.CB) [> 2.9202 = 4.8669 < 6.3270] w=0.0496 to align # Constraint # added constraint: constraint((T0301)R305.CB, (T0301)M317.CB) [> 2.5153 = 4.1922 < 5.4499] w=0.0496 to align # Constraint # added constraint: constraint((T0301)L303.CB, (T0301)M316.CB) [> 3.9202 = 6.5337 < 8.4938] w=0.0496 to align # Constraint # added constraint: constraint((T0301)L302.CB, (T0301)P352.CB) [> 4.4404 = 7.4006 < 9.6208] w=0.0496 to align # Constraint # added constraint: constraint((T0301)M260.CB, (T0301)T275.CB) [> 4.7061 = 7.8435 < 10.1966] w=0.0496 to align # Constraint # added constraint: constraint((T0301)G153.CA, (T0301)P170.CB) [> 4.7620 = 7.9367 < 10.3177] w=0.0496 to align # Constraint # added constraint: constraint((T0301)G154.CA, (T0301)P170.CB) [> 4.6547 = 7.7579 < 10.0853] w=0.0496 to align # Constraint # added constraint: constraint((T0301)P53.CB, (T0301)S69.CB) [> 2.7606 = 4.6011 < 5.9814] w=0.0496 to align # Constraint # added constraint: constraint((T0301)L43.CB, (T0301)S75.CB) [> 3.5972 = 5.9953 < 7.7939] w=0.0496 to align # Constraint # added constraint: constraint((T0301)R305.CB, (T0301)R348.CB) [> 4.7266 = 7.8776 < 10.2409] w=0.0496 to align # Constraint # added constraint: constraint((T0301)R305.CB, (T0301)V347.CB) [> 4.3658 = 7.2764 < 9.4593] w=0.0496 to align # Constraint # added constraint: constraint((T0301)A282.CB, (T0301)R305.CB) [> 4.4689 = 7.4481 < 9.6826] w=0.0496 to align # Constraint # added constraint: constraint((T0301)D52.CB, (T0301)S66.CB) [> 4.1192 = 6.8654 < 8.9250] w=0.0496 to align # Constraint # added constraint: constraint((T0301)Y54.CB, (T0301)T65.CB) [> 2.8987 = 4.8312 < 6.2806] w=0.0496 to align # Constraint # added constraint: constraint((T0301)V254.CB, (T0301)T275.CB) [> 3.3445 = 5.5742 < 7.2464] w=0.0496 to align # Constraint # added constraint: constraint((T0301)V254.CB, (T0301)G310.CA) [> 4.6143 = 7.6905 < 9.9976] w=0.0496 to align # Constraint # added constraint: constraint((T0301)F192.CB, (T0301)E226.CB) [> 3.6536 = 6.0893 < 7.9161] w=0.0496 to align # Constraint # added constraint: constraint((T0301)S182.CB, (T0301)M213.CB) [> 4.3677 = 7.2794 < 9.4633] w=0.0496 to align # Constraint # added constraint: constraint((T0301)S182.CB, (T0301)K210.CB) [> 4.1965 = 6.9941 < 9.0923] w=0.0496 to align # Constraint # added constraint: constraint((T0301)L176.CB, (T0301)K373.CB) [> 4.4924 = 7.4873 < 9.7336] w=0.0496 to align # Constraint # added constraint: constraint((T0301)P266.CB, (T0301)L312.CB) [> 3.9565 = 6.5942 < 8.5725] w=0.0496 to align # Constraint # added constraint: constraint((T0301)V335.CB, (T0301)A360.CB) [> 3.0573 = 5.0956 < 6.6242] w=0.0495 to align # Constraint # added constraint: constraint((T0301)V335.CB, (T0301)V371.CB) [> 2.5919 = 4.3197 < 5.6157] w=0.0495 to align # Constraint # added constraint: constraint((T0301)K210.CB, (T0301)G261.CA) [> 4.7390 = 7.8983 < 10.2678] w=0.0494 to align # Constraint # added constraint: constraint((T0301)D200.CB, (T0301)M260.CB) [> 4.2181 = 7.0301 < 9.1392] w=0.0494 to align # Constraint # added constraint: constraint((T0301)A225.CB, (T0301)I263.CB) [> 4.3978 = 7.3296 < 9.5285] w=0.0493 to align # Constraint # added constraint: constraint((T0301)E202.CB, (T0301)T265.CB) [> 3.6815 = 6.1358 < 7.9765] w=0.0493 to align # Constraint # added constraint: constraint((T0301)L201.CB, (T0301)T265.CB) [> 2.9913 = 4.9855 < 6.4812] w=0.0493 to align # Constraint # added constraint: constraint((T0301)L201.CB, (T0301)I263.CB) [> 3.6859 = 6.1431 < 7.9861] w=0.0493 to align # Constraint # added constraint: constraint((T0301)I263.CB, (T0301)F280.CB) [> 3.5740 = 5.9566 < 7.7436] w=0.0493 to align # Constraint # added constraint: constraint((T0301)I263.CB, (T0301)R305.CB) [> 3.8775 = 6.4626 < 8.4014] w=0.0493 to align # Constraint # added constraint: constraint((T0301)D165.CB, (T0301)N215.CB) [> 4.1814 = 6.9689 < 9.0596] w=0.0493 to align # Constraint # added constraint: constraint((T0301)V22.CB, (T0301)N106.CB) [> 3.7791 = 6.2985 < 8.1881] w=0.0493 to align # Constraint # added constraint: constraint((T0301)N215.CB, (T0301)P266.CB) [> 3.9506 = 6.5842 < 8.5595] w=0.0492 to align # Constraint # added constraint: constraint((T0301)I7.CB, (T0301)L356.CB) [> 3.8441 = 6.4068 < 8.3289] w=0.0492 to align # Constraint # added constraint: constraint((T0301)I7.CB, (T0301)T355.CB) [> 3.0584 = 5.0973 < 6.6264] w=0.0492 to align # Constraint # added constraint: constraint((T0301)I300.CB, (T0301)L334.CB) [> 4.7379 = 7.8965 < 10.2654] w=0.0491 to align # Constraint # added constraint: constraint((T0301)V167.CB, (T0301)A374.CB) [> 4.5100 = 7.5166 < 9.7716] w=0.0491 to align # Constraint # added constraint: constraint((T0301)V167.CB, (T0301)F178.CB) [> 4.3001 = 7.1668 < 9.3168] w=0.0490 to align # Constraint # added constraint: constraint((T0301)Y88.CB, (T0301)A111.CB) [> 4.7583 = 7.9304 < 10.3095] w=0.0490 to align # Constraint # added constraint: constraint((T0301)S182.CB, (T0301)F222.CB) [> 3.5908 = 5.9846 < 7.7800] w=0.0490 to align # Constraint # added constraint: constraint((T0301)S182.CB, (T0301)V223.CB) [> 2.4177 = 4.0295 < 5.2383] w=0.0490 to align # Constraint # added constraint: constraint((T0301)S182.CB, (T0301)N224.CB) [> 4.5930 = 7.6550 < 9.9514] w=0.0490 to align # Constraint # added constraint: constraint((T0301)S182.CB, (T0301)I278.CB) [> 4.6099 = 7.6832 < 9.9882] w=0.0490 to align # Constraint # added constraint: constraint((T0301)L201.CB, (T0301)A279.CB) [> 4.5307 = 7.5512 < 9.8166] w=0.0490 to align # Constraint # added constraint: constraint((T0301)S108.CB, (T0301)A139.CB) [> 4.7820 = 7.9700 < 10.3611] w=0.0489 to align # Constraint # added constraint: constraint((T0301)V121.CB, (T0301)V149.CB) [> 3.8819 = 6.4699 < 8.4109] w=0.0489 to align # Constraint # added constraint: constraint((T0301)S75.CB, (T0301)R135.CB) [> 4.5898 = 7.6496 < 9.9445] w=0.0489 to align # Constraint # added constraint: constraint((T0301)S67.CB, (T0301)K311.CB) [> 4.5642 = 7.6070 < 9.8890] w=0.0489 to align # Constraint # added constraint: constraint((T0301)S67.CB, (T0301)G310.CA) [> 4.3506 = 7.2510 < 9.4263] w=0.0489 to align # Constraint # added constraint: constraint((T0301)S66.CB, (T0301)D94.CB) [> 4.6456 = 7.7427 < 10.0655] w=0.0489 to align # Constraint # added constraint: constraint((T0301)T65.CB, (T0301)D94.CB) [> 4.3414 = 7.2356 < 9.4062] w=0.0489 to align # Constraint # added constraint: constraint((T0301)S50.CB, (T0301)T65.CB) [> 2.8842 = 4.8070 < 6.2491] w=0.0489 to align # Constraint # added constraint: constraint((T0301)G49.CA, (T0301)S66.CB) [> 3.7910 = 6.3183 < 8.2137] w=0.0489 to align # Constraint # added constraint: constraint((T0301)G49.CA, (T0301)T65.CB) [> 1.8521 = 3.0868 < 4.0128] w=0.0489 to align # Constraint # added constraint: constraint((T0301)I48.CB, (T0301)S66.CB) [> 4.5295 = 7.5491 < 9.8139] w=0.0489 to align # Constraint # added constraint: constraint((T0301)I48.CB, (T0301)T65.CB) [> 2.4464 = 4.0774 < 5.3006] w=0.0489 to align # Constraint # added constraint: constraint((T0301)L201.CB, (T0301)M260.CB) [> 3.7674 = 6.2789 < 8.1626] w=0.0489 to align # Constraint # added constraint: constraint((T0301)L303.CB, (T0301)V335.CB) [> 4.4128 = 7.3547 < 9.5611] w=0.0424 to align # Constraint # added constraint: constraint((T0301)T333.CB, (T0301)R348.CB) [> 4.3620 = 7.2700 < 9.4510] w=0.0424 to align # Constraint # added constraint: constraint((T0301)L334.CB, (T0301)R348.CB) [> 3.4808 = 5.8013 < 7.5417] w=0.0424 to align # Constraint # added constraint: constraint((T0301)V335.CB, (T0301)R348.CB) [> 4.4304 = 7.3840 < 9.5991] w=0.0424 to align # Constraint # added constraint: constraint((T0301)L201.CB, (T0301)G217.CA) [> 4.0969 = 6.8282 < 8.8766] w=0.0420 to align # Constraint # added constraint: constraint((T0301)N224.CB, (T0301)L302.CB) [> 4.5869 = 7.6448 < 9.9383] w=0.0410 to align # Constraint # added constraint: constraint((T0301)A257.CB, (T0301)P276.CB) [> 3.4785 = 5.7975 < 7.5368] w=0.0408 to align # Constraint # added constraint: constraint((T0301)L258.CB, (T0301)H274.CB) [> 3.9734 = 6.6223 < 8.6090] w=0.0408 to align # Constraint # added constraint: constraint((T0301)S182.CB, (T0301)A321.CB) [> 2.4278 = 4.0464 < 5.2603] w=0.0385 to align # Constraint # added constraint: constraint((T0301)S182.CB, (T0301)V322.CB) [> 3.7743 = 6.2906 < 8.1777] w=0.0385 to align # Constraint # added constraint: constraint((T0301)V322.CB, (T0301)A338.CB) [> 3.6244 = 6.0407 < 7.8529] w=0.0385 to align # Constraint # added constraint: constraint((T0301)G110.CA, (T0301)A360.CB) [> 4.7340 = 7.8900 < 10.2570] w=0.0357 to align # Constraint # added constraint: constraint((T0301)T109.CB, (T0301)H351.CB) [> 4.6085 = 7.6808 < 9.9850] w=0.0357 to align # Constraint # added constraint: constraint((T0301)T109.CB, (T0301)F349.CB) [> 3.1873 = 5.3121 < 6.9057] w=0.0357 to align # Constraint # added constraint: constraint((T0301)T109.CB, (T0301)V347.CB) [> 3.1626 = 5.2709 < 6.8522] w=0.0357 to align # Constraint # added constraint: constraint((T0301)S108.CB, (T0301)L356.CB) [> 3.6620 = 6.1034 < 7.9344] w=0.0357 to align # Constraint # added constraint: constraint((T0301)L107.CB, (T0301)I145.CB) [> 4.5468 = 7.5780 < 9.8514] w=0.0357 to align # Constraint # added constraint: constraint((T0301)N106.CB, (T0301)P193.CB) [> 4.1518 = 6.9196 < 8.9955] w=0.0357 to align # Constraint # added constraint: constraint((T0301)I146.CB, (T0301)V167.CB) [> 4.7426 = 7.9043 < 10.2756] w=0.0357 to align # Constraint # added constraint: constraint((T0301)H148.CB, (T0301)V358.CB) [> 4.3187 = 7.1979 < 9.3573] w=0.0354 to align # Constraint # added constraint: constraint((T0301)H148.CB, (T0301)R348.CB) [> 4.7494 = 7.9157 < 10.2904] w=0.0354 to align # Constraint # added constraint: constraint((T0301)A147.CB, (T0301)A360.CB) [> 3.9827 = 6.6378 < 8.6292] w=0.0354 to align # Constraint # added constraint: constraint((T0301)W137.CB, (T0301)H148.CB) [> 3.2167 = 5.3611 < 6.9695] w=0.0354 to align # Constraint # added constraint: constraint((T0301)I7.CB, (T0301)S345.CB) [> 4.3139 = 7.1898 < 9.3468] w=0.0354 to align # Constraint # added constraint: constraint((T0301)A115.CB, (T0301)A147.CB) [> 4.6960 = 7.8266 < 10.1746] w=0.0354 to align # Constraint # added constraint: constraint((T0301)A115.CB, (T0301)A139.CB) [> 4.7814 = 7.9690 < 10.3597] w=0.0354 to align # Constraint # added constraint: constraint((T0301)F114.CB, (T0301)C132.CB) [> 3.4353 = 5.7255 < 7.4431] w=0.0354 to align # Constraint # added constraint: constraint((T0301)A111.CB, (T0301)W137.CB) [> 4.3969 = 7.3281 < 9.5265] w=0.0354 to align # Constraint # added constraint: constraint((T0301)A111.CB, (T0301)C132.CB) [> 3.1150 = 5.1916 < 6.7491] w=0.0354 to align # Constraint # added constraint: constraint((T0301)S108.CB, (T0301)T319.CB) [> 3.7761 = 6.2935 < 8.1816] w=0.0354 to align # Constraint # added constraint: constraint((T0301)S108.CB, (T0301)H148.CB) [> 4.4752 = 7.4586 < 9.6962] w=0.0354 to align # Constraint # added constraint: constraint((T0301)L107.CB, (T0301)T319.CB) [> 4.5157 = 7.5263 < 9.7841] w=0.0354 to align # Constraint # added constraint: constraint((T0301)L107.CB, (T0301)V149.CB) [> 3.2121 = 5.3535 < 6.9595] w=0.0354 to align # Constraint # added constraint: constraint((T0301)V304.CB, (T0301)V335.CB) [> 4.0374 = 6.7290 < 8.7477] w=0.0354 to align # Constraint # added constraint: constraint((T0301)L302.CB, (T0301)L334.CB) [> 4.2642 = 7.1070 < 9.2391] w=0.0354 to align # Constraint # added constraint: constraint((T0301)L334.CB, (T0301)F349.CB) [> 4.0973 = 6.8289 < 8.8775] w=0.0354 to align # Constraint # added constraint: constraint((T0301)A327.CB, (T0301)L356.CB) [> 3.1158 = 5.1930 < 6.7509] w=0.0354 to align # Constraint # added constraint: constraint((T0301)A327.CB, (T0301)H351.CB) [> 3.4784 = 5.7974 < 7.5366] w=0.0354 to align # Constraint # added constraint: constraint((T0301)T326.CB, (T0301)V358.CB) [> 4.3689 = 7.2815 < 9.4660] w=0.0354 to align # Constraint # added constraint: constraint((T0301)T326.CB, (T0301)G350.CA) [> 3.2554 = 5.4257 < 7.0533] w=0.0354 to align # Constraint # added constraint: constraint((T0301)T326.CB, (T0301)F349.CB) [> 2.2569 = 3.7614 < 4.8899] w=0.0354 to align # Constraint # added constraint: constraint((T0301)V322.CB, (T0301)V347.CB) [> 2.7907 = 4.6512 < 6.0465] w=0.0354 to align # Constraint # added constraint: constraint((T0301)T319.CB, (T0301)A360.CB) [> 4.3986 = 7.3310 < 9.5304] w=0.0354 to align # Constraint # added constraint: constraint((T0301)A216.CB, (T0301)A327.CB) [> 4.4830 = 7.4716 < 9.7131] w=0.0354 to align # Constraint # added constraint: constraint((T0301)L201.CB, (T0301)A225.CB) [> 3.8081 = 6.3468 < 8.2509] w=0.0354 to align # Constraint # added constraint: constraint((T0301)A279.CB, (T0301)A321.CB) [> 2.7729 = 4.6214 < 6.0078] w=0.0354 to align # Constraint # added constraint: constraint((T0301)K277.CB, (T0301)A321.CB) [> 4.5071 = 7.5118 < 9.7653] w=0.0354 to align # Constraint # added constraint: constraint((T0301)F222.CB, (T0301)G325.CA) [> 3.6134 = 6.0223 < 7.8290] w=0.0354 to align # Constraint # added constraint: constraint((T0301)T220.CB, (T0301)A321.CB) [> 3.0499 = 5.0832 < 6.6081] w=0.0354 to align # Constraint # added constraint: constraint((T0301)G217.CA, (T0301)A320.CB) [> 4.2690 = 7.1150 < 9.2495] w=0.0354 to align # Constraint # added constraint: constraint((T0301)A279.CB, (T0301)L302.CB) [> 3.2350 = 5.3916 < 7.0091] w=0.0353 to align # Constraint # added constraint: constraint((T0301)K210.CB, (T0301)F222.CB) [> 4.5648 = 7.6079 < 9.8903] w=0.0353 to align # Constraint # added constraint: constraint((T0301)G119.CA, (T0301)M260.CB) [> 4.4025 = 7.3376 < 9.5388] w=0.0349 to align # Constraint # added constraint: constraint((T0301)P193.CB, (T0301)T326.CB) [> 4.2052 = 7.0087 < 9.1114] w=0.0349 to align # Constraint # added constraint: constraint((T0301)P193.CB, (T0301)I330.CB) [> 3.3890 = 5.6484 < 7.3429] w=0.0349 to align # Constraint # added constraint: constraint((T0301)S108.CB, (T0301)A306.CB) [> 2.9990 = 4.9984 < 6.4979] w=0.0349 to align # Constraint # added constraint: constraint((T0301)A111.CB, (T0301)A306.CB) [> 3.5875 = 5.9792 < 7.7729] w=0.0349 to align # Constraint # added constraint: constraint((T0301)A115.CB, (T0301)V304.CB) [> 3.1817 = 5.3028 < 6.8936] w=0.0349 to align # Constraint # added constraint: constraint((T0301)L116.CB, (T0301)V304.CB) [> 4.0167 = 6.6944 < 8.7027] w=0.0349 to align # Constraint # added constraint: constraint((T0301)A216.CB, (T0301)V347.CB) [> 4.0701 = 6.7836 < 8.8186] w=0.0349 to align # Constraint # added constraint: constraint((T0301)A216.CB, (T0301)F349.CB) [> 3.8989 = 6.4982 < 8.4477] w=0.0349 to align # Constraint # added constraint: constraint((T0301)G217.CA, (T0301)V347.CB) [> 3.7981 = 6.3302 < 8.2292] w=0.0349 to align # Constraint # added constraint: constraint((T0301)G217.CA, (T0301)R348.CB) [> 4.2133 = 7.0222 < 9.1289] w=0.0349 to align # Constraint # added constraint: constraint((T0301)T326.CB, (T0301)V347.CB) [> 3.5635 = 5.9392 < 7.7210] w=0.0349 to align # Constraint # added constraint: constraint((T0301)L201.CB, (T0301)A306.CB) [> 3.2147 = 5.3578 < 6.9651] w=0.0349 to align # Constraint # added constraint: constraint((T0301)N215.CB, (T0301)A327.CB) [> 4.5281 = 7.5468 < 9.8108] w=0.0349 to align # Constraint # added constraint: constraint((T0301)F222.CB, (T0301)L303.CB) [> 3.7419 = 6.2364 < 8.1074] w=0.0347 to align # Constraint # added constraint: constraint((T0301)L302.CB, (T0301)V322.CB) [> 2.8406 = 4.7344 < 6.1547] w=0.0335 to align # Constraint # added constraint: constraint((T0301)L302.CB, (T0301)G325.CA) [> 4.1644 = 6.9406 < 9.0228] w=0.0335 to align # Constraint # added constraint: constraint((T0301)L303.CB, (T0301)V322.CB) [> 3.7290 = 6.2150 < 8.0795] w=0.0335 to align # Constraint # added constraint: constraint((T0301)G325.CA, (T0301)H351.CB) [> 3.9234 = 6.5390 < 8.5007] w=0.0251 to align # Constraint # added constraint: constraint((T0301)L201.CB, (T0301)G261.CA) [> 4.5996 = 7.6660 < 9.9658] w=0.0248 to align # Constraint # added constraint: constraint((T0301)S69.CB, (T0301)A306.CB) [> 4.5253 = 7.5422 < 9.8048] w=0.0248 to align # Constraint # added constraint: constraint((T0301)F23.CB, (T0301)S69.CB) [> 4.1878 = 6.9797 < 9.0736] w=0.0248 to align # Constraint # added constraint: constraint((T0301)G21.CA, (T0301)A315.CB) [> 3.9905 = 6.6508 < 8.6460] w=0.0248 to align # Constraint # added constraint: constraint((T0301)L302.CB, (T0301)A320.CB) [> 3.5810 = 5.9683 < 7.7588] w=0.0248 to align # Constraint # added constraint: constraint((T0301)K277.CB, (T0301)V304.CB) [> 3.3960 = 5.6599 < 7.3579] w=0.0248 to align # Constraint # added constraint: constraint((T0301)G229.CA, (T0301)L303.CB) [> 4.6426 = 7.7376 < 10.0589] w=0.0248 to align # Constraint # added constraint: constraint((T0301)P193.CB, (T0301)G261.CA) [> 2.1641 = 3.6069 < 4.6890] w=0.0248 to align # Constraint # added constraint: constraint((T0301)P193.CB, (T0301)L262.CB) [> 4.1874 = 6.9790 < 9.0727] w=0.0248 to align # Constraint # added constraint: constraint((T0301)S69.CB, (T0301)V91.CB) [> 3.6879 = 6.1464 < 7.9904] w=0.0248 to align # Constraint # added constraint: constraint((T0301)A323.CB, (T0301)A360.CB) [> 4.7881 = 7.9802 < 10.3742] w=0.0248 to align # Constraint # added constraint: constraint((T0301)G49.CA, (T0301)F97.CB) [> 4.7463 = 7.9105 < 10.2836] w=0.0248 to align # Constraint # added constraint: constraint((T0301)I7.CB, (T0301)R46.CB) [> 4.7639 = 7.9399 < 10.3219] w=0.0248 to align # Constraint # added constraint: constraint((T0301)F280.CB, (T0301)H351.CB) [> 4.7899 = 7.9832 < 10.3782] w=0.0248 to align # Constraint # added constraint: constraint((T0301)L258.CB, (T0301)G310.CA) [> 4.5955 = 7.6592 < 9.9570] w=0.0248 to align # Constraint # added constraint: constraint((T0301)V254.CB, (T0301)Q273.CB) [> 4.6712 = 7.7853 < 10.1209] w=0.0248 to align # Constraint # added constraint: constraint((T0301)G21.CA, (T0301)A115.CB) [> 4.7957 = 7.9929 < 10.3908] w=0.0248 to align # Constraint # added constraint: constraint((T0301)V22.CB, (T0301)L116.CB) [> 4.5563 = 7.5938 < 9.8720] w=0.0248 to align # Constraint # added constraint: constraint((T0301)V72.CB, (T0301)A115.CB) [> 4.7162 = 7.8604 < 10.2185] w=0.0248 to align # Constraint # added constraint: constraint((T0301)L74.CB, (T0301)L116.CB) [> 3.8736 = 6.4560 < 8.3928] w=0.0248 to align # Constraint # added constraint: constraint((T0301)A282.CB, (T0301)F349.CB) [> 4.6859 = 7.8098 < 10.1528] w=0.0248 to align # Constraint # added constraint: constraint((T0301)A282.CB, (T0301)V347.CB) [> 4.6324 = 7.7207 < 10.0370] w=0.0248 to align # Constraint # added constraint: constraint((T0301)L74.CB, (T0301)A113.CB) [> 4.6252 = 7.7087 < 10.0214] w=0.0247 to align # Constraint # added constraint: constraint((T0301)V22.CB, (T0301)A113.CB) [> 2.6646 = 4.4410 < 5.7733] w=0.0247 to align # Constraint # added constraint: constraint((T0301)V22.CB, (T0301)T109.CB) [> 3.2130 = 5.3549 < 6.9614] w=0.0247 to align # Constraint # added constraint: constraint((T0301)G21.CA, (T0301)T109.CB) [> 3.7805 = 6.3009 < 8.1911] w=0.0247 to align # Constraint # added constraint: constraint((T0301)P10.CB, (T0301)A315.CB) [> 4.7135 = 7.8558 < 10.2126] w=0.0246 to align # Constraint # added constraint: constraint((T0301)I7.CB, (T0301)A315.CB) [> 4.4241 = 7.3735 < 9.5856] w=0.0246 to align # Constraint # added constraint: constraint((T0301)F280.CB, (T0301)V347.CB) [> 4.6195 = 7.6992 < 10.0090] w=0.0246 to align # Constraint # added constraint: constraint((T0301)Y88.CB, (T0301)S152.CB) [> 4.5703 = 7.6172 < 9.9024] w=0.0244 to align # Constraint # added constraint: constraint((T0301)D122.CB, (T0301)L164.CB) [> 4.2528 = 7.0881 < 9.2145] w=0.0244 to align # Constraint # added constraint: constraint((T0301)A315.CB, (T0301)V358.CB) [> 4.1288 = 6.8813 < 8.9457] w=0.0244 to align # Constraint # added constraint: constraint((T0301)L201.CB, (T0301)R259.CB) [> 3.8302 = 6.3837 < 8.2988] w=0.0244 to align # Constraint # added constraint: constraint((T0301)E202.CB, (T0301)R259.CB) [> 4.7057 = 7.8428 < 10.1956] w=0.0244 to align # Constraint # added constraint: constraint((T0301)K210.CB, (T0301)A225.CB) [> 4.4825 = 7.4708 < 9.7120] w=0.0244 to align # Constraint # added constraint: constraint((T0301)V221.CB, (T0301)L302.CB) [> 3.1294 = 5.2157 < 6.7804] w=0.0242 to align # Constraint # added constraint: constraint((T0301)V221.CB, (T0301)L303.CB) [> 3.3663 = 5.6105 < 7.2936] w=0.0242 to align # Constraint # added constraint: constraint((T0301)V223.CB, (T0301)V304.CB) [> 3.7104 = 6.1840 < 8.0392] w=0.0242 to align # Constraint # added constraint: constraint((T0301)T220.CB, (T0301)L303.CB) [> 4.2450 = 7.0751 < 9.1976] w=0.0217 to align # Constraint # added constraint: constraint((T0301)A257.CB, (T0301)I278.CB) [> 3.8715 = 6.4525 < 8.3883] w=0.0204 to align # Constraint # added constraint: constraint((T0301)I263.CB, (T0301)P276.CB) [> 3.5274 = 5.8790 < 7.6427] w=0.0204 to align # Constraint # added constraint: constraint((T0301)V149.CB, (T0301)M316.CB) [> 3.5676 = 5.9460 < 7.7298] w=0.0192 to align # Constraint # added constraint: constraint((T0301)V149.CB, (T0301)M317.CB) [> 2.5189 = 4.1981 < 5.4576] w=0.0192 to align # Constraint # added constraint: constraint((T0301)V149.CB, (T0301)A320.CB) [> 4.6698 = 7.7830 < 10.1179] w=0.0192 to align # Constraint # added constraint: constraint((T0301)V149.CB, (T0301)V371.CB) [> 4.1603 = 6.9338 < 9.0140] w=0.0192 to align # Constraint # added constraint: constraint((T0301)A147.CB, (T0301)V371.CB) [> 3.1874 = 5.3123 < 6.9059] w=0.0192 to align # Constraint # added constraint: constraint((T0301)I146.CB, (T0301)V371.CB) [> 4.1880 = 6.9800 < 9.0740] w=0.0192 to align # Constraint # added constraint: constraint((T0301)S152.CB, (T0301)A321.CB) [> 3.8704 = 6.4506 < 8.3858] w=0.0192 to align # Constraint # added constraint: constraint((T0301)G89.CA, (T0301)V149.CB) [> 3.1092 = 5.1820 < 6.7365] w=0.0192 to align # Constraint # added constraint: constraint((T0301)G89.CA, (T0301)A139.CB) [> 4.1740 = 6.9566 < 9.0436] w=0.0192 to align # Constraint # added constraint: constraint((T0301)G89.CA, (T0301)C132.CB) [> 4.7779 = 7.9631 < 10.3521] w=0.0192 to align # Constraint # added constraint: constraint((T0301)Y88.CB, (T0301)V149.CB) [> 4.1457 = 6.9096 < 8.9824] w=0.0192 to align # Constraint # added constraint: constraint((T0301)L87.CB, (T0301)V149.CB) [> 2.9246 = 4.8743 < 6.3366] w=0.0192 to align # Constraint # added constraint: constraint((T0301)L87.CB, (T0301)H148.CB) [> 4.1786 = 6.9643 < 9.0536] w=0.0192 to align # Constraint # added constraint: constraint((T0301)L74.CB, (T0301)V149.CB) [> 4.2999 = 7.1665 < 9.3164] w=0.0192 to align # Constraint # added constraint: constraint((T0301)L74.CB, (T0301)V134.CB) [> 4.2999 = 7.1665 < 9.3164] w=0.0192 to align # Constraint # added constraint: constraint((T0301)T109.CB, (T0301)V134.CB) [> 3.8267 = 6.3778 < 8.2912] w=0.0192 to align # Constraint # added constraint: constraint((T0301)S108.CB, (T0301)C132.CB) [> 3.7189 = 6.1982 < 8.0576] w=0.0192 to align # Constraint # added constraint: constraint((T0301)A216.CB, (T0301)T275.CB) [> 3.8117 = 6.3529 < 8.2587] w=0.0192 to align # Constraint # added constraint: constraint((T0301)A327.CB, (T0301)A360.CB) [> 2.5557 = 4.2595 < 5.5374] w=0.0192 to align # Constraint # added constraint: constraint((T0301)A327.CB, (T0301)V358.CB) [> 4.5453 = 7.5755 < 9.8481] w=0.0192 to align # Constraint # added constraint: constraint((T0301)G110.CA, (T0301)F349.CB) [> 3.8737 = 6.4562 < 8.3930] w=0.0178 to align # Constraint # added constraint: constraint((T0301)G110.CA, (T0301)L356.CB) [> 4.2072 = 7.0121 < 9.1157] w=0.0178 to align # Constraint # added constraint: constraint((T0301)A111.CB, (T0301)V347.CB) [> 4.4696 = 7.4493 < 9.6842] w=0.0178 to align # Constraint # added constraint: constraint((T0301)W137.CB, (T0301)R285.CB) [> 4.5379 = 7.5631 < 9.8320] w=0.0178 to align # Constraint # added constraint: constraint((T0301)L107.CB, (T0301)H351.CB) [> 3.8420 = 6.4033 < 8.3243] w=0.0178 to align # Constraint # added constraint: constraint((T0301)L107.CB, (T0301)F349.CB) [> 3.8169 = 6.3615 < 8.2700] w=0.0178 to align # Constraint # added constraint: constraint((T0301)N106.CB, (T0301)P352.CB) [> 4.0145 = 6.6909 < 8.6981] w=0.0178 to align # Constraint # added constraint: constraint((T0301)A115.CB, (T0301)W137.CB) [> 4.7249 = 7.8748 < 10.2372] w=0.0177 to align # Constraint # added constraint: constraint((T0301)A111.CB, (T0301)R135.CB) [> 4.4141 = 7.3568 < 9.5638] w=0.0177 to align # Constraint # added constraint: constraint((T0301)S108.CB, (T0301)I146.CB) [> 4.4077 = 7.3461 < 9.5499] w=0.0177 to align # Constraint # added constraint: constraint((T0301)L107.CB, (T0301)C132.CB) [> 3.4592 = 5.7654 < 7.4950] w=0.0177 to align # Constraint # added constraint: constraint((T0301)V149.CB, (T0301)G217.CA) [> 4.6768 = 7.7947 < 10.1331] w=0.0177 to align # Constraint # added constraint: constraint((T0301)V149.CB, (T0301)A216.CB) [> 2.3578 = 3.9297 < 5.1086] w=0.0177 to align # Constraint # added constraint: constraint((T0301)H148.CB, (T0301)L356.CB) [> 4.6382 = 7.7304 < 10.0496] w=0.0177 to align # Constraint # added constraint: constraint((T0301)A147.CB, (T0301)V358.CB) [> 3.3575 = 5.5958 < 7.2746] w=0.0177 to align # Constraint # added constraint: constraint((T0301)A147.CB, (T0301)T319.CB) [> 4.7192 = 7.8654 < 10.2250] w=0.0177 to align # Constraint # added constraint: constraint((T0301)I146.CB, (T0301)V358.CB) [> 4.0922 = 6.8204 < 8.8665] w=0.0177 to align # Constraint # added constraint: constraint((T0301)I146.CB, (T0301)R348.CB) [> 4.5093 = 7.5156 < 9.7702] w=0.0177 to align # Constraint # added constraint: constraint((T0301)I145.CB, (T0301)A360.CB) [> 4.0898 = 6.8163 < 8.8611] w=0.0177 to align # Constraint # added constraint: constraint((T0301)R15.CB, (T0301)S32.CB) [> 4.6315 = 7.7192 < 10.0350] w=0.0177 to align # Constraint # added constraint: constraint((T0301)R15.CB, (T0301)R25.CB) [> 3.0507 = 5.0845 < 6.6099] w=0.0177 to align # Constraint # added constraint: constraint((T0301)A290.CB, (T0301)P331.CB) [> 4.5452 = 7.5753 < 9.8479] w=0.0177 to align # Constraint # added constraint: constraint((T0301)F209.CB, (T0301)G332.CA) [> 4.2449 = 7.0748 < 9.1973] w=0.0177 to align # Constraint # added constraint: constraint((T0301)G325.CA, (T0301)L356.CB) [> 3.6807 = 6.1345 < 7.9749] w=0.0177 to align # Constraint # added constraint: constraint((T0301)G325.CA, (T0301)G350.CA) [> 4.0150 = 6.6917 < 8.6992] w=0.0177 to align # Constraint # added constraint: constraint((T0301)V149.CB, (T0301)L356.CB) [> 2.9506 = 4.9177 < 6.3931] w=0.0177 to align # Constraint # added constraint: constraint((T0301)V149.CB, (T0301)A323.CB) [> 2.3730 = 3.9550 < 5.1415] w=0.0177 to align # Constraint # added constraint: constraint((T0301)V149.CB, (T0301)T319.CB) [> 4.7668 = 7.9447 < 10.3281] w=0.0177 to align # Constraint # added constraint: constraint((T0301)S182.CB, (T0301)I375.CB) [> 4.4038 = 7.3396 < 9.5415] w=0.0174 to align # Constraint # added constraint: constraint((T0301)S182.CB, (T0301)M376.CB) [> 4.2640 = 7.1066 < 9.2386] w=0.0174 to align # Constraint # added constraint: constraint((T0301)L201.CB, (T0301)L303.CB) [> 4.2960 = 7.1600 < 9.3080] w=0.0174 to align # Constraint # added constraint: constraint((T0301)L201.CB, (T0301)L302.CB) [> 3.1414 = 5.2356 < 6.8063] w=0.0174 to align # Constraint # added constraint: constraint((T0301)G188.CA, (T0301)M376.CB) [> 4.7891 = 7.9818 < 10.3764] w=0.0174 to align # Constraint # added constraint: constraint((T0301)V91.CB, (T0301)S182.CB) [> 4.7854 = 7.9757 < 10.3684] w=0.0174 to align # Constraint # added constraint: constraint((T0301)L116.CB, (T0301)L302.CB) [> 4.0428 = 6.7380 < 8.7593] w=0.0174 to align # Constraint # added constraint: constraint((T0301)A115.CB, (T0301)L302.CB) [> 3.2727 = 5.4545 < 7.0909] w=0.0174 to align # Constraint # added constraint: constraint((T0301)A111.CB, (T0301)L302.CB) [> 4.7667 = 7.9445 < 10.3278] w=0.0174 to align # Constraint # added constraint: constraint((T0301)S108.CB, (T0301)V304.CB) [> 2.9990 = 4.9984 < 6.4979] w=0.0174 to align # Constraint # added constraint: constraint((T0301)A257.CB, (T0301)S291.CB) [> 4.1982 = 6.9970 < 9.0961] w=0.0174 to align # Constraint # added constraint: constraint((T0301)M317.CB, (T0301)A327.CB) [> 4.0105 = 6.6841 < 8.6894] w=0.0174 to align # Constraint # added constraint: constraint((T0301)M317.CB, (T0301)T326.CB) [> 3.1604 = 5.2673 < 6.8475] w=0.0174 to align # Constraint # added constraint: constraint((T0301)M316.CB, (T0301)A327.CB) [> 3.3438 = 5.5730 < 7.2449] w=0.0174 to align # Constraint # added constraint: constraint((T0301)M316.CB, (T0301)T326.CB) [> 4.6086 = 7.6810 < 9.9854] w=0.0174 to align # Constraint # added constraint: constraint((T0301)A315.CB, (T0301)V347.CB) [> 2.8009 = 4.6681 < 6.0686] w=0.0174 to align # Constraint # added constraint: constraint((T0301)A315.CB, (T0301)A327.CB) [> 3.5460 = 5.9100 < 7.6830] w=0.0174 to align # Constraint # added constraint: constraint((T0301)A315.CB, (T0301)T326.CB) [> 3.5909 = 5.9849 < 7.7804] w=0.0174 to align # Constraint # added constraint: constraint((T0301)G217.CA, (T0301)A327.CB) [> 3.9841 = 6.6401 < 8.6321] w=0.0174 to align # Constraint # added constraint: constraint((T0301)G217.CA, (T0301)M316.CB) [> 4.6973 = 7.8289 < 10.1776] w=0.0174 to align # Constraint # added constraint: constraint((T0301)G217.CA, (T0301)A315.CB) [> 4.1604 = 6.9339 < 9.0141] w=0.0174 to align # Constraint # added constraint: constraint((T0301)A216.CB, (T0301)A315.CB) [> 3.5487 = 5.9145 < 7.6889] w=0.0174 to align # Constraint # added constraint: constraint((T0301)A216.CB, (T0301)A306.CB) [> 4.2946 = 7.1577 < 9.3050] w=0.0174 to align # Constraint # added constraint: constraint((T0301)A216.CB, (T0301)R305.CB) [> 4.1716 = 6.9526 < 9.0384] w=0.0174 to align # Constraint # added constraint: constraint((T0301)K210.CB, (T0301)L302.CB) [> 4.2468 = 7.0779 < 9.2013] w=0.0174 to align # Constraint # added constraint: constraint((T0301)N215.CB, (T0301)R305.CB) [> 3.4781 = 5.7968 < 7.5358] w=0.0174 to align # Constraint # added constraint: constraint((T0301)N215.CB, (T0301)A315.CB) [> 1.2030 = 2.0051 < 2.6066] w=0.0174 to align # Constraint # added constraint: constraint((T0301)N215.CB, (T0301)M316.CB) [> 3.2318 = 5.3864 < 7.0023] w=0.0174 to align # Constraint # added constraint: constraint((T0301)A216.CB, (T0301)V304.CB) [> 4.2946 = 7.1577 < 9.3050] w=0.0174 to align # Constraint # added constraint: constraint((T0301)A216.CB, (T0301)L302.CB) [> 3.3575 = 5.5958 < 7.2746] w=0.0168 to align # Constraint # added constraint: constraint((T0301)A306.CB, (T0301)A323.CB) [> 3.5118 = 5.8530 < 7.6089] w=0.0168 to align # Constraint # added constraint: constraint((T0301)A306.CB, (T0301)V322.CB) [> 3.7429 = 6.2381 < 8.1095] w=0.0168 to align # Constraint # added constraint: constraint((T0301)R305.CB, (T0301)V322.CB) [> 3.7321 = 6.2201 < 8.0862] w=0.0168 to align # Constraint # added constraint: constraint((T0301)R305.CB, (T0301)A321.CB) [> 3.1438 = 5.2397 < 6.8116] w=0.0168 to align # Constraint # added constraint: constraint((T0301)V304.CB, (T0301)V322.CB) [> 2.8455 = 4.7426 < 6.1653] w=0.0168 to align # Constraint # added constraint: constraint((T0301)A225.CB, (T0301)M317.CB) [> 2.2823 = 3.8038 < 4.9450] w=0.0168 to align # Constraint # added constraint: constraint((T0301)A225.CB, (T0301)A306.CB) [> 2.2280 = 3.7134 < 4.8274] w=0.0168 to align # Constraint # added constraint: constraint((T0301)N224.CB, (T0301)R305.CB) [> 3.0761 = 5.1268 < 6.6648] w=0.0168 to align # Constraint # added constraint: constraint((T0301)N224.CB, (T0301)V304.CB) [> 4.6701 = 7.7835 < 10.1186] w=0.0168 to align # Constraint # added constraint: constraint((T0301)V223.CB, (T0301)R305.CB) [> 4.4484 = 7.4140 < 9.6383] w=0.0168 to align # Constraint # added constraint: constraint((T0301)F222.CB, (T0301)V304.CB) [> 2.2529 = 3.7548 < 4.8812] w=0.0168 to align # Constraint # added constraint: constraint((T0301)T220.CB, (T0301)L302.CB) [> 3.1167 = 5.1945 < 6.7529] w=0.0168 to align # Constraint # added constraint: constraint((T0301)A211.CB, (T0301)T220.CB) [> 4.1810 = 6.9684 < 9.0589] w=0.0130 to align # Constraint # added constraint: constraint((T0301)R135.CB, (T0301)H148.CB) [> 4.1958 = 6.9931 < 9.0910] w=0.0105 to align # Constraint # added constraint: constraint((T0301)K210.CB, (T0301)T220.CB) [> 2.4271 = 4.0451 < 5.2587] w=0.0105 to align # Constraint # added constraint: constraint((T0301)K210.CB, (T0301)V221.CB) [> 4.7936 = 7.9892 < 10.3860] w=0.0105 to align # Constraint # added constraint: constraint((T0301)M213.CB, (T0301)V223.CB) [> 4.0068 = 6.6779 < 8.6813] w=0.0105 to align # Constraint # added constraint: constraint((T0301)I214.CB, (T0301)V223.CB) [> 1.6165 = 2.6941 < 3.5024] w=0.0105 to align # Constraint # added constraint: constraint((T0301)I214.CB, (T0301)N224.CB) [> 4.5330 = 7.5550 < 9.8215] w=0.0105 to align # Constraint # added constraint: constraint((T0301)I214.CB, (T0301)A225.CB) [> 4.4373 = 7.3955 < 9.6141] w=0.0105 to align # Constraint # added constraint: constraint((T0301)N215.CB, (T0301)N224.CB) [> 4.2239 = 7.0398 < 9.1517] w=0.0105 to align # Constraint # added constraint: constraint((T0301)N215.CB, (T0301)A225.CB) [> 3.1580 = 5.2633 < 6.8423] w=0.0105 to align # Constraint # added constraint: constraint((T0301)L303.CB, (T0301)A327.CB) [> 4.7401 = 7.9002 < 10.2703] w=0.0105 to align # Constraint # added constraint: constraint((T0301)M213.CB, (T0301)H351.CB) [> 4.5029 = 7.5048 < 9.7563] w=0.0095 to align # Constraint # added constraint: constraint((T0301)N224.CB, (T0301)F349.CB) [> 4.7716 = 7.9527 < 10.3385] w=0.0074 to align # Constraint # added constraint: constraint((T0301)N224.CB, (T0301)M384.CB) [> 3.7337 = 6.2228 < 8.0897] w=0.0074 to align # Constraint # added constraint: constraint((T0301)N224.CB, (T0301)E385.CB) [> 4.7066 = 7.8443 < 10.1976] w=0.0074 to align # Constraint # added constraint: constraint((T0301)A225.CB, (T0301)V347.CB) [> 3.4182 = 5.6971 < 7.4062] w=0.0074 to align # Constraint # added constraint: constraint((T0301)A225.CB, (T0301)R348.CB) [> 4.5929 = 7.6548 < 9.9513] w=0.0074 to align # Constraint # added constraint: constraint((T0301)A257.CB, (T0301)L294.CB) [> 3.2269 = 5.3782 < 6.9917] w=0.0074 to align # Constraint # added constraint: constraint((T0301)A257.CB, (T0301)L302.CB) [> 4.5601 = 7.6002 < 9.8803] w=0.0074 to align # Constraint # added constraint: constraint((T0301)V221.CB, (T0301)V304.CB) [> 2.6542 = 4.4237 < 5.7509] w=0.0074 to align # Constraint # added constraint: constraint((T0301)V221.CB, (T0301)R305.CB) [> 4.4348 = 7.3913 < 9.6086] w=0.0074 to align # Constraint # added constraint: constraint((T0301)V221.CB, (T0301)A306.CB) [> 4.1971 = 6.9952 < 9.0938] w=0.0074 to align # Constraint # added constraint: constraint((T0301)V221.CB, (T0301)A321.CB) [> 3.0871 = 5.1452 < 6.6887] w=0.0074 to align # Constraint # added constraint: constraint((T0301)V221.CB, (T0301)G325.CA) [> 4.0969 = 6.8282 < 8.8767] w=0.0074 to align # Constraint # added constraint: constraint((T0301)V221.CB, (T0301)F349.CB) [> 4.0992 = 6.8320 < 8.8816] w=0.0074 to align # Constraint # added constraint: constraint((T0301)V221.CB, (T0301)G350.CA) [> 4.0136 = 6.6894 < 8.6962] w=0.0074 to align # Constraint # added constraint: constraint((T0301)V221.CB, (T0301)H351.CB) [> 3.2373 = 5.3956 < 7.0143] w=0.0074 to align # Constraint # added constraint: constraint((T0301)F222.CB, (T0301)F349.CB) [> 4.1491 = 6.9152 < 8.9897] w=0.0074 to align # Constraint # added constraint: constraint((T0301)F222.CB, (T0301)G350.CA) [> 3.1572 = 5.2619 < 6.8405] w=0.0074 to align # Constraint # added constraint: constraint((T0301)F222.CB, (T0301)H351.CB) [> 4.7445 = 7.9075 < 10.2797] w=0.0074 to align # Constraint # added constraint: constraint((T0301)F222.CB, (T0301)A380.CB) [> 3.1499 = 5.2499 < 6.8249] w=0.0074 to align # Constraint # added constraint: constraint((T0301)F222.CB, (T0301)L383.CB) [> 4.5580 = 7.5966 < 9.8756] w=0.0074 to align # Constraint # added constraint: constraint((T0301)F222.CB, (T0301)M384.CB) [> 2.4235 = 4.0392 < 5.2510] w=0.0074 to align # Constraint # added constraint: constraint((T0301)V223.CB, (T0301)G325.CA) [> 4.1005 = 6.8341 < 8.8844] w=0.0074 to align # Constraint # added constraint: constraint((T0301)V223.CB, (T0301)V347.CB) [> 4.2132 = 7.0219 < 9.1285] w=0.0074 to align # Constraint # added constraint: constraint((T0301)V223.CB, (T0301)R348.CB) [> 4.1304 = 6.8840 < 8.9492] w=0.0074 to align # Constraint # added constraint: constraint((T0301)V223.CB, (T0301)F349.CB) [> 2.7358 = 4.5596 < 5.9275] w=0.0074 to align # Constraint # added constraint: constraint((T0301)V223.CB, (T0301)G350.CA) [> 4.3838 = 7.3064 < 9.4983] w=0.0074 to align # Constraint # added constraint: constraint((T0301)V223.CB, (T0301)M384.CB) [> 4.0880 = 6.8133 < 8.8572] w=0.0074 to align # Constraint # added constraint: constraint((T0301)N224.CB, (T0301)V347.CB) [> 4.7530 = 7.9217 < 10.2982] w=0.0074 to align # Constraint # added constraint: constraint((T0301)N224.CB, (T0301)R348.CB) [> 3.3169 = 5.5281 < 7.1865] w=0.0074 to align # Constraint # added constraint: constraint((T0301)V322.CB, (T0301)H351.CB) [> 4.3307 = 7.2179 < 9.3833] w=0.0074 to align # Constraint # added constraint: constraint((T0301)R348.CB, (T0301)M384.CB) [> 3.2512 = 5.4186 < 7.0442] w=0.0074 to align # Constraint # added constraint: constraint((T0301)R348.CB, (T0301)E385.CB) [> 4.3541 = 7.2568 < 9.4339] w=0.0074 to align # Constraint # added constraint: constraint((T0301)F349.CB, (T0301)M384.CB) [> 3.5797 = 5.9662 < 7.7561] w=0.0074 to align # Constraint # added constraint: constraint((T0301)G350.CA, (T0301)A380.CB) [> 4.3424 = 7.2373 < 9.4085] w=0.0074 to align # Constraint # added constraint: constraint((T0301)G350.CA, (T0301)L383.CB) [> 2.5041 = 4.1735 < 5.4255] w=0.0074 to align # Constraint # added constraint: constraint((T0301)G350.CA, (T0301)M384.CB) [> 2.2630 = 3.7716 < 4.9031] w=0.0074 to align # Constraint # added constraint: constraint((T0301)H351.CB, (T0301)L383.CB) [> 4.1410 = 6.9016 < 8.9721] w=0.0074 to align # Constraint # added constraint: constraint((T0301)P352.CB, (T0301)I375.CB) [> 3.8033 = 6.3389 < 8.2405] w=0.0074 to align # Constraint # added constraint: constraint((T0301)P352.CB, (T0301)R378.CB) [> 2.9160 = 4.8600 < 6.3180] w=0.0074 to align # Constraint # added constraint: constraint((T0301)P352.CB, (T0301)L383.CB) [> 3.5321 = 5.8868 < 7.6529] w=0.0074 to align # Constraint # added constraint: constraint((T0301)L356.CB, (T0301)I375.CB) [> 2.6692 = 4.4487 < 5.7833] w=0.0074 to align # Constraint # added constraint: constraint((T0301)L356.CB, (T0301)M376.CB) [> 3.3408 = 5.5680 < 7.2384] w=0.0074 to align # Constraint # added constraint: constraint((T0301)R305.CB, (T0301)V371.CB) [> 3.4694 = 5.7824 < 7.5171] w=0.0074 to align # Constraint # added constraint: constraint((T0301)R305.CB, (T0301)V358.CB) [> 4.3914 = 7.3191 < 9.5148] w=0.0074 to align # Constraint # added constraint: constraint((T0301)M213.CB, (T0301)G350.CA) [> 3.8400 = 6.4000 < 8.3200] w=0.0070 to align # Constraint # added constraint: constraint((T0301)A320.CB, (T0301)L334.CB) [> 4.7372 = 7.8954 < 10.2640] w=0.0070 to align # Constraint # added constraint: constraint((T0301)A323.CB, (T0301)L334.CB) [> 3.1542 = 5.2571 < 6.8342] w=0.0070 to align # Constraint # added constraint: constraint((T0301)L303.CB, (T0301)G332.CA) [> 3.4351 = 5.7251 < 7.4426] w=0.0070 to align # Constraint # added constraint: constraint((T0301)L302.CB, (T0301)G332.CA) [> 3.8211 = 6.3685 < 8.2790] w=0.0070 to align # Constraint # added constraint: constraint((T0301)T220.CB, (T0301)V304.CB) [> 4.6831 = 7.8052 < 10.1468] w=0.0050 to align # Constraint # added constraint: constraint((T0301)T220.CB, (T0301)R305.CB) [> 3.6824 = 6.1373 < 7.9784] w=0.0050 to align # Constraint # added constraint: constraint((T0301)T220.CB, (T0301)H351.CB) [> 4.2718 = 7.1197 < 9.2556] w=0.0050 to align # Constraint # added constraint: constraint((T0301)T220.CB, (T0301)P352.CB) [> 3.3204 = 5.5340 < 7.1941] w=0.0050 to align # Constraint # added constraint: constraint((T0301)T220.CB, (T0301)L356.CB) [> 4.2370 = 7.0617 < 9.1802] w=0.0050 to align # Constraint # added constraint: constraint((T0301)T220.CB, (T0301)V371.CB) [> 3.6243 = 6.0405 < 7.8526] w=0.0050 to align # Constraint # added constraint: constraint((T0301)T220.CB, (T0301)I375.CB) [> 3.9556 = 6.5926 < 8.5704] w=0.0050 to align # Constraint # added constraint: constraint((T0301)T220.CB, (T0301)M376.CB) [> 3.1879 = 5.3132 < 6.9071] w=0.0050 to align # Constraint # added constraint: constraint((T0301)T220.CB, (T0301)A380.CB) [> 3.5538 = 5.9231 < 7.7000] w=0.0050 to align # Constraint # added constraint: constraint((T0301)V221.CB, (T0301)S379.CB) [> 4.1970 = 6.9950 < 9.0935] w=0.0050 to align # Constraint # added constraint: constraint((T0301)F222.CB, (T0301)S379.CB) [> 3.1975 = 5.3292 < 6.9280] w=0.0050 to align # Constraint # added constraint: constraint((T0301)A211.CB, (T0301)L356.CB) [> 3.3013 = 5.5022 < 7.1528] w=0.0050 to align # Constraint # added constraint: constraint((T0301)A211.CB, (T0301)V358.CB) [> 3.7152 = 6.1921 < 8.0497] w=0.0050 to align # Constraint # added constraint: constraint((T0301)A211.CB, (T0301)V371.CB) [> 3.6987 = 6.1645 < 8.0138] w=0.0050 to align # Constraint # added constraint: constraint((T0301)A211.CB, (T0301)I375.CB) [> 4.5687 = 7.6145 < 9.8988] w=0.0050 to align # Constraint # added constraint: constraint((T0301)G350.CA, (T0301)S379.CB) [> 3.4847 = 5.8079 < 7.5502] w=0.0050 to align # Constraint # added constraint: constraint((T0301)R259.CB, (T0301)G325.CA) [> 4.0732 = 6.7887 < 8.8254] w=0.0050 to align # Constraint # added constraint: constraint((T0301)R259.CB, (T0301)A290.CB) [> 3.9668 = 6.6113 < 8.5947] w=0.0050 to align # Constraint # added constraint: constraint((T0301)D94.CB, (T0301)I145.CB) [> 3.4509 = 5.7515 < 7.4769] w=0.0035 to align # Constraint # added constraint: constraint((T0301)M61.CB, (T0301)A118.CB) [> 3.7762 = 6.2937 < 8.1818] w=0.0035 to align # Constraint # added constraint: constraint((T0301)G60.CA, (T0301)T168.CB) [> 3.9968 = 6.6614 < 8.6598] w=0.0035 to align # Constraint # added constraint: constraint((T0301)G60.CA, (T0301)G166.CA) [> 4.6544 = 7.7573 < 10.0845] w=0.0035 to align # Constraint # added constraint: constraint((T0301)G60.CA, (T0301)L164.CB) [> 3.6551 = 6.0919 < 7.9194] w=0.0035 to align # Constraint # added constraint: constraint((T0301)G60.CA, (T0301)L120.CB) [> 4.1017 = 6.8362 < 8.8871] w=0.0035 to align # Constraint # added constraint: constraint((T0301)G60.CA, (T0301)G119.CA) [> 3.2155 = 5.3593 < 6.9670] w=0.0035 to align # Constraint # added constraint: constraint((T0301)G60.CA, (T0301)A118.CB) [> 3.7252 = 6.2086 < 8.0712] w=0.0035 to align # Constraint # added constraint: constraint((T0301)D59.CB, (T0301)E186.CB) [> 4.7056 = 7.8426 < 10.1953] w=0.0035 to align # Constraint # added constraint: constraint((T0301)D59.CB, (T0301)G119.CA) [> 4.1620 = 6.9367 < 9.0177] w=0.0035 to align # Constraint # added constraint: constraint((T0301)D59.CB, (T0301)A118.CB) [> 3.2693 = 5.4488 < 7.0835] w=0.0035 to align # Constraint # added constraint: constraint((T0301)V91.CB, (T0301)T144.CB) [> 3.0201 = 5.0334 < 6.5435] w=0.0035 to align # Constraint # added constraint: constraint((T0301)G62.CA, (T0301)L176.CB) [> 3.6521 = 6.0869 < 7.9129] w=0.0035 to align # Constraint # added constraint: constraint((T0301)G62.CA, (T0301)F169.CB) [> 3.7256 = 6.2093 < 8.0722] w=0.0035 to align # Constraint # added constraint: constraint((T0301)G62.CA, (T0301)T168.CB) [> 4.1610 = 6.9350 < 9.0155] w=0.0035 to align # Constraint # added constraint: constraint((T0301)G62.CA, (T0301)L164.CB) [> 2.4842 = 4.1404 < 5.3825] w=0.0035 to align # Constraint # added constraint: constraint((T0301)G62.CA, (T0301)E163.CB) [> 3.1606 = 5.2677 < 6.8480] w=0.0035 to align # Constraint # added constraint: constraint((T0301)G62.CA, (T0301)G119.CA) [> 3.8983 = 6.4972 < 8.4464] w=0.0035 to align # Constraint # added constraint: constraint((T0301)G62.CA, (T0301)A118.CB) [> 2.8486 = 4.7476 < 6.1719] w=0.0035 to align # Constraint # added constraint: constraint((T0301)M61.CB, (T0301)T168.CB) [> 3.9997 = 6.6661 < 8.6659] w=0.0035 to align # Constraint # added constraint: constraint((T0301)M61.CB, (T0301)L164.CB) [> 3.9938 = 6.6564 < 8.6533] w=0.0035 to align # Constraint # added constraint: constraint((T0301)N106.CB, (T0301)V134.CB) [> 3.9218 = 6.5363 < 8.4972] w=0.0035 to align # Constraint # added constraint: constraint((T0301)C132.CB, (T0301)I174.CB) [> 3.6151 = 6.0252 < 7.8327] w=0.0035 to align # Constraint # added constraint: constraint((T0301)M213.CB, (T0301)L356.CB) [> 4.2374 = 7.0624 < 9.1811] w=0.0025 to align # Constraint # added constraint: constraint((T0301)M213.CB, (T0301)P352.CB) [> 3.2903 = 5.4839 < 7.1290] w=0.0025 to align # Constraint # added constraint: constraint((T0301)M213.CB, (T0301)A306.CB) [> 4.6504 = 7.7506 < 10.0758] w=0.0025 to align # Constraint # added constraint: constraint((T0301)M213.CB, (T0301)R305.CB) [> 3.6970 = 6.1616 < 8.0101] w=0.0025 to align # Constraint # added constraint: constraint((T0301)M213.CB, (T0301)V304.CB) [> 4.6989 = 7.8315 < 10.1810] w=0.0025 to align # Constraint # added constraint: constraint((T0301)M213.CB, (T0301)L303.CB) [> 4.4570 = 7.4284 < 9.6569] w=0.0025 to align # Constraint # added constraint: constraint((T0301)K210.CB, (T0301)L356.CB) [> 4.6878 = 7.8131 < 10.1570] w=0.0025 to align # Constraint # added constraint: constraint((T0301)M213.CB, (T0301)V371.CB) [> 3.6470 = 6.0783 < 7.9018] w=0.0025 to align # Constraint # added constraint: constraint((T0301)M213.CB, (T0301)M376.CB) [> 3.2085 = 5.3475 < 6.9518] w=0.0025 to align # Constraint # added constraint: constraint((T0301)T220.CB, (T0301)R381.CB) [> 4.7890 = 7.9817 < 10.3762] w=0.0025 to align # Constraint # added constraint: constraint((T0301)V221.CB, (T0301)A380.CB) [> 4.2021 = 7.0035 < 9.1046] w=0.0025 to align # Constraint # added constraint: constraint((T0301)F222.CB, (T0301)R381.CB) [> 3.1154 = 5.1924 < 6.7501] w=0.0025 to align # Constraint # added constraint: constraint((T0301)G350.CA, (T0301)R381.CB) [> 4.7636 = 7.9393 < 10.3211] w=0.0025 to align # Constraint # added constraint: constraint((T0301)H351.CB, (T0301)A380.CB) [> 3.8322 = 6.3870 < 8.3031] w=0.0025 to align # Constraint # added constraint: constraint((T0301)P352.CB, (T0301)A380.CB) [> 2.2679 = 3.7799 < 4.9138] w=0.0025 to align # Constraint # added constraint: constraint((T0301)V254.CB, (T0301)E267.CB) [> 3.6136 = 6.0227 < 7.8296] w=0.0025 to align # Constraint # added constraint: constraint((T0301)A255.CB, (T0301)L337.CB) [> 4.5959 = 7.6598 < 9.9578] w=0.0025 to align # Constraint # added constraint: constraint((T0301)L258.CB, (T0301)A269.CB) [> 4.3989 = 7.3315 < 9.5310] w=0.0025 to align # Constraint # added constraint: constraint((T0301)L258.CB, (T0301)A270.CB) [> 3.3803 = 5.6338 < 7.3240] w=0.0025 to align # Constraint # added constraint: constraint((T0301)L258.CB, (T0301)R288.CB) [> 3.3576 = 5.5960 < 7.2748] w=0.0025 to align # Constraint # added constraint: constraint((T0301)M260.CB, (T0301)L302.CB) [> 4.4849 = 7.4748 < 9.7172] w=0.0025 to align # Constraint # added constraint: constraint((T0301)M260.CB, (T0301)V304.CB) [> 2.7245 = 4.5408 < 5.9031] w=0.0025 to align # SetCost created cost = # ( 1.0000 * align ) # command:# Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0301/ # command:# reading script from file servers-clean.under # Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0301/decoys/ # ReadConformPDB reading from PDB file cattedFile.renum.pdb.gz looking for model 1 # Found a chain break before 386 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera-many.pdb.gz looking for model 1 # Found a chain break before 386 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera1.pdb.gz looking for model 1 # Found a chain break before 389 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera2.pdb.gz looking for model 1 # Found a chain break before 386 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file salvageNewSheet.renum.pdb.gz looking for model 1 # Found a chain break before 386 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0301 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 T0301 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 T0301 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 T0301 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 T0301 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 T0301 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 T0301 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 T0301 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 T0301 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 T0301 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 T0301 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 T0301 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 T0301 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 T0301 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 T0301 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 304 # 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 384 # 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 334 # 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 377 # 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 353 # 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 387 # 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 393 # 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 314 # 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 387 # 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 368 # 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 364 # 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 378 # 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 276 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # Found a chain break before 371 # 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 391 # 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 388 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS3 # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # Found a chain break before 392 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS4 # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0301 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS5 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0301 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0301 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 T0301 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0301 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS5.pdb.gz looking for model 1 WARNING: atoms too close: (T0301)S75.C and (T0301)K76.N only 0.000 apart, marking (T0301)K76.N as missing WARNING: atoms too close: (T0301)K76.N and (T0301)K76.CA only 0.000 apart, marking (T0301)K76.CA as missing WARNING: atoms too close: (T0301)S75.C and (T0301)K76.CA only 0.000 apart, marking (T0301)K76.CA as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)K76.CB only 0.000 apart, marking (T0301)K76.CB as missing WARNING: atoms too close: (T0301)K76.N and (T0301)K76.CB only 0.000 apart, marking (T0301)K76.CB as missing WARNING: atoms too close: (T0301)S75.C and (T0301)K76.CB only 0.000 apart, marking (T0301)K76.CB as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)K76.CG only 0.000 apart, marking (T0301)K76.CG as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)K76.CG only 0.000 apart, marking (T0301)K76.CG as missing WARNING: atoms too close: (T0301)K76.N and (T0301)K76.CG only 0.000 apart, marking (T0301)K76.CG as missing WARNING: atoms too close: (T0301)S75.C and (T0301)K76.CG only 0.000 apart, marking (T0301)K76.CG as missing WARNING: atoms too close: (T0301)K76.CG and (T0301)K76.CD only 0.000 apart, marking (T0301)K76.CD as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)K76.CD only 0.000 apart, marking (T0301)K76.CD as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)K76.CD only 0.000 apart, marking (T0301)K76.CD as missing WARNING: atoms too close: (T0301)K76.N and (T0301)K76.CD only 0.000 apart, marking (T0301)K76.CD as missing WARNING: atoms too close: (T0301)S75.C and (T0301)K76.CD only 0.000 apart, marking (T0301)K76.CD as missing WARNING: atoms too close: (T0301)K76.CD and (T0301)K76.CE only 0.000 apart, marking (T0301)K76.CE as missing WARNING: atoms too close: (T0301)K76.CG and (T0301)K76.CE only 0.000 apart, marking (T0301)K76.CE as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)K76.CE only 0.000 apart, marking (T0301)K76.CE as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)K76.CE only 0.000 apart, marking (T0301)K76.CE as missing WARNING: atoms too close: (T0301)K76.N and (T0301)K76.CE only 0.000 apart, marking (T0301)K76.CE as missing WARNING: atoms too close: (T0301)S75.C and (T0301)K76.CE only 0.000 apart, marking (T0301)K76.CE as missing WARNING: atoms too close: (T0301)K76.CE and (T0301)K76.NZ only 0.000 apart, marking (T0301)K76.NZ as missing WARNING: atoms too close: (T0301)K76.CD and (T0301)K76.NZ only 0.000 apart, marking (T0301)K76.NZ as missing WARNING: atoms too close: (T0301)K76.CG and (T0301)K76.NZ only 0.000 apart, marking (T0301)K76.NZ as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)K76.NZ only 0.000 apart, marking (T0301)K76.NZ as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)K76.NZ only 0.000 apart, marking (T0301)K76.NZ as missing WARNING: atoms too close: (T0301)K76.N and (T0301)K76.NZ only 0.000 apart, marking (T0301)K76.NZ as missing WARNING: atoms too close: (T0301)S75.C and (T0301)K76.NZ only 0.000 apart, marking (T0301)K76.NZ as missing WARNING: atoms too close: (T0301)K76.NZ and (T0301)K76.O only 0.000 apart, marking (T0301)K76.O as missing WARNING: atoms too close: (T0301)K76.CE and (T0301)K76.O only 0.000 apart, marking (T0301)K76.O as missing WARNING: atoms too close: (T0301)K76.CD and (T0301)K76.O only 0.000 apart, marking (T0301)K76.O as missing WARNING: atoms too close: (T0301)K76.CG and (T0301)K76.O only 0.000 apart, marking (T0301)K76.O as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)K76.O only 0.000 apart, marking (T0301)K76.O as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)K76.O only 0.000 apart, marking (T0301)K76.O as missing WARNING: atoms too close: (T0301)K76.N and (T0301)K76.O only 0.000 apart, marking (T0301)K76.O as missing WARNING: atoms too close: (T0301)S75.C and (T0301)K76.O only 0.000 apart, marking (T0301)K76.O as missing WARNING: atoms too close: (T0301)K76.O and (T0301)K76.C only 0.000 apart, marking (T0301)K76.C as missing WARNING: atoms too close: (T0301)K76.NZ and (T0301)K76.C only 0.000 apart, marking (T0301)K76.C as missing WARNING: atoms too close: (T0301)K76.CE and (T0301)K76.C only 0.000 apart, marking (T0301)K76.C as missing WARNING: atoms too close: (T0301)K76.CD and (T0301)K76.C only 0.000 apart, marking (T0301)K76.C as missing WARNING: atoms too close: (T0301)K76.CG and (T0301)K76.C only 0.000 apart, marking (T0301)K76.C as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)K76.C only 0.000 apart, marking (T0301)K76.C as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)K76.C only 0.000 apart, marking (T0301)K76.C as missing WARNING: atoms too close: (T0301)K76.N and (T0301)K76.C only 0.000 apart, marking (T0301)K76.C as missing WARNING: atoms too close: (T0301)S75.C and (T0301)K76.C only 0.000 apart, marking (T0301)K76.C as missing WARNING: atoms too close: (T0301)K76.C and (T0301)S77.N only 0.000 apart, marking (T0301)K76.C as missing WARNING: atoms too close: (T0301)K76.O and (T0301)S77.N only 0.000 apart, marking (T0301)K76.O as missing WARNING: atoms too close: (T0301)K76.NZ and (T0301)S77.N only 0.000 apart, marking (T0301)K76.NZ as missing WARNING: atoms too close: (T0301)K76.CE and (T0301)S77.N only 0.000 apart, marking (T0301)K76.CE as missing WARNING: atoms too close: (T0301)K76.CD and (T0301)S77.N only 0.000 apart, marking (T0301)K76.CD as missing WARNING: atoms too close: (T0301)K76.CG and (T0301)S77.N only 0.000 apart, marking (T0301)K76.CG as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)S77.N only 0.000 apart, marking (T0301)K76.CB as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)S77.N only 0.000 apart, marking (T0301)K76.CA as missing WARNING: atoms too close: (T0301)K76.N and (T0301)S77.N only 0.000 apart, marking (T0301)K76.N as missing WARNING: atoms too close: (T0301)S75.C and (T0301)S77.N only 0.000 apart, marking (T0301)S77.N as missing WARNING: atoms too close: (T0301)S77.N and (T0301)S77.CA only 0.000 apart, marking (T0301)S77.CA as missing WARNING: atoms too close: (T0301)K76.C and (T0301)S77.CA only 0.000 apart, marking (T0301)S77.CA as missing WARNING: atoms too close: (T0301)K76.O and (T0301)S77.CA only 0.000 apart, marking (T0301)S77.CA as missing WARNING: atoms too close: (T0301)K76.NZ and (T0301)S77.CA only 0.000 apart, marking (T0301)S77.CA as missing WARNING: atoms too close: (T0301)K76.CE and (T0301)S77.CA only 0.000 apart, marking (T0301)S77.CA as missing WARNING: atoms too close: (T0301)K76.CD and (T0301)S77.CA only 0.000 apart, marking (T0301)S77.CA as missing WARNING: atoms too close: (T0301)K76.CG and (T0301)S77.CA only 0.000 apart, marking (T0301)S77.CA as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)S77.CA only 0.000 apart, marking (T0301)S77.CA as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)S77.CA only 0.000 apart, marking (T0301)S77.CA as missing WARNING: atoms too close: (T0301)K76.N and (T0301)S77.CA only 0.000 apart, marking (T0301)S77.CA as missing WARNING: atoms too close: (T0301)S75.C and (T0301)S77.CA only 0.000 apart, marking (T0301)S77.CA as missing WARNING: atoms too close: (T0301)S77.CA and (T0301)S77.CB only 0.000 apart, marking (T0301)S77.CB as missing WARNING: atoms too close: (T0301)S77.N and (T0301)S77.CB only 0.000 apart, marking (T0301)S77.CB as missing WARNING: atoms too close: (T0301)K76.C and (T0301)S77.CB only 0.000 apart, marking (T0301)S77.CB as missing WARNING: atoms too close: (T0301)K76.O and (T0301)S77.CB only 0.000 apart, marking (T0301)S77.CB as missing WARNING: atoms too close: (T0301)K76.NZ and (T0301)S77.CB only 0.000 apart, marking (T0301)S77.CB as missing WARNING: atoms too close: (T0301)K76.CE and (T0301)S77.CB only 0.000 apart, marking (T0301)S77.CB as missing WARNING: atoms too close: (T0301)K76.CD and (T0301)S77.CB only 0.000 apart, marking (T0301)S77.CB as missing WARNING: atoms too close: (T0301)K76.CG and (T0301)S77.CB only 0.000 apart, marking (T0301)S77.CB as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)S77.CB only 0.000 apart, marking (T0301)S77.CB as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)S77.CB only 0.000 apart, marking (T0301)S77.CB as missing WARNING: atoms too close: (T0301)K76.N and (T0301)S77.CB only 0.000 apart, marking (T0301)S77.CB as missing WARNING: atoms too close: (T0301)S75.C and (T0301)S77.CB only 0.000 apart, marking (T0301)S77.CB as missing WARNING: atoms too close: (T0301)S77.CB and (T0301)S77.OG only 0.000 apart, marking (T0301)S77.OG as missing WARNING: atoms too close: (T0301)S77.CA and (T0301)S77.OG only 0.000 apart, marking (T0301)S77.OG as missing WARNING: atoms too close: (T0301)S77.N and (T0301)S77.OG only 0.000 apart, marking (T0301)S77.OG as missing WARNING: atoms too close: (T0301)K76.C and (T0301)S77.OG only 0.000 apart, marking (T0301)S77.OG as missing WARNING: atoms too close: (T0301)K76.O and (T0301)S77.OG only 0.000 apart, marking (T0301)S77.OG as missing WARNING: atoms too close: (T0301)K76.NZ and (T0301)S77.OG only 0.000 apart, marking (T0301)S77.OG as missing WARNING: atoms too close: (T0301)K76.CE and (T0301)S77.OG only 0.000 apart, marking (T0301)S77.OG as missing WARNING: atoms too close: (T0301)K76.CD and (T0301)S77.OG only 0.000 apart, marking (T0301)S77.OG as missing WARNING: atoms too close: (T0301)K76.CG and (T0301)S77.OG only 0.000 apart, marking (T0301)S77.OG as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)S77.OG only 0.000 apart, marking (T0301)S77.OG as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)S77.OG only 0.000 apart, marking (T0301)S77.OG as missing WARNING: atoms too close: (T0301)K76.N and (T0301)S77.OG only 0.000 apart, marking (T0301)S77.OG as missing WARNING: atoms too close: (T0301)S75.C and (T0301)S77.OG only 0.000 apart, marking (T0301)S77.OG as missing WARNING: atoms too close: (T0301)S77.OG and (T0301)S77.O only 0.000 apart, marking (T0301)S77.O as missing WARNING: atoms too close: (T0301)S77.CB and (T0301)S77.O only 0.000 apart, marking (T0301)S77.O as missing WARNING: atoms too close: (T0301)S77.CA and (T0301)S77.O only 0.000 apart, marking (T0301)S77.O as missing WARNING: atoms too close: (T0301)S77.N and (T0301)S77.O only 0.000 apart, marking (T0301)S77.O as missing WARNING: atoms too close: (T0301)K76.C and (T0301)S77.O only 0.000 apart, marking (T0301)S77.O as missing WARNING: atoms too close: (T0301)K76.O and (T0301)S77.O only 0.000 apart, marking (T0301)S77.O as missing WARNING: atoms too close: (T0301)K76.NZ and (T0301)S77.O only 0.000 apart, marking (T0301)S77.O as missing WARNING: atoms too close: (T0301)K76.CE and (T0301)S77.O only 0.000 apart, marking (T0301)S77.O as missing WARNING: atoms too close: (T0301)K76.CD and (T0301)S77.O only 0.000 apart, marking (T0301)S77.O as missing WARNING: atoms too close: (T0301)K76.CG and (T0301)S77.O only 0.000 apart, marking (T0301)S77.O as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)S77.O only 0.000 apart, marking (T0301)S77.O as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)S77.O only 0.000 apart, marking (T0301)S77.O as missing WARNING: atoms too close: (T0301)K76.N and (T0301)S77.O only 0.000 apart, marking (T0301)S77.O as missing WARNING: atoms too close: (T0301)S75.C and (T0301)S77.O only 0.000 apart, marking (T0301)S77.O as missing WARNING: atoms too close: (T0301)S77.O and (T0301)S77.C only 0.000 apart, marking (T0301)S77.C as missing WARNING: atoms too close: (T0301)S77.OG and (T0301)S77.C only 0.000 apart, marking (T0301)S77.C as missing WARNING: atoms too close: (T0301)S77.CB and (T0301)S77.C only 0.000 apart, marking (T0301)S77.C as missing WARNING: atoms too close: (T0301)S77.CA and (T0301)S77.C only 0.000 apart, marking (T0301)S77.C as missing WARNING: atoms too close: (T0301)S77.N and (T0301)S77.C only 0.000 apart, marking (T0301)S77.C as missing WARNING: atoms too close: (T0301)K76.C and (T0301)S77.C only 0.000 apart, marking (T0301)S77.C as missing WARNING: atoms too close: (T0301)K76.O and (T0301)S77.C only 0.000 apart, marking (T0301)S77.C as missing WARNING: atoms too close: (T0301)K76.NZ and (T0301)S77.C only 0.000 apart, marking (T0301)S77.C as missing WARNING: atoms too close: (T0301)K76.CE and (T0301)S77.C only 0.000 apart, marking (T0301)S77.C as missing WARNING: atoms too close: (T0301)K76.CD and (T0301)S77.C only 0.000 apart, marking (T0301)S77.C as missing WARNING: atoms too close: (T0301)K76.CG and (T0301)S77.C only 0.000 apart, marking (T0301)S77.C as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)S77.C only 0.000 apart, marking (T0301)S77.C as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)S77.C only 0.000 apart, marking (T0301)S77.C as missing WARNING: atoms too close: (T0301)K76.N and (T0301)S77.C only 0.000 apart, marking (T0301)S77.C as missing WARNING: atoms too close: (T0301)S75.C and (T0301)S77.C only 0.000 apart, marking (T0301)S77.C as missing WARNING: atoms too close: (T0301)S77.C and (T0301)S78.N only 0.000 apart, marking (T0301)S77.C as missing WARNING: atoms too close: (T0301)S77.O and (T0301)S78.N only 0.000 apart, marking (T0301)S77.O as missing WARNING: atoms too close: (T0301)S77.OG and (T0301)S78.N only 0.000 apart, marking (T0301)S77.OG as missing WARNING: atoms too close: (T0301)S77.CB and (T0301)S78.N only 0.000 apart, marking (T0301)S77.CB as missing WARNING: atoms too close: (T0301)S77.CA and (T0301)S78.N only 0.000 apart, marking (T0301)S77.CA as missing WARNING: atoms too close: (T0301)S77.N and (T0301)S78.N only 0.000 apart, marking (T0301)S77.N as missing WARNING: atoms too close: (T0301)K76.C and (T0301)S78.N only 0.000 apart, marking (T0301)K76.C as missing WARNING: atoms too close: (T0301)K76.O and (T0301)S78.N only 0.000 apart, marking (T0301)K76.O as missing WARNING: atoms too close: (T0301)K76.NZ and (T0301)S78.N only 0.000 apart, marking (T0301)K76.NZ as missing WARNING: atoms too close: (T0301)K76.CE and (T0301)S78.N only 0.000 apart, marking (T0301)K76.CE as missing WARNING: atoms too close: (T0301)K76.CD and (T0301)S78.N only 0.000 apart, marking (T0301)K76.CD as missing WARNING: atoms too close: (T0301)K76.CG and (T0301)S78.N only 0.000 apart, marking (T0301)K76.CG as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)S78.N only 0.000 apart, marking (T0301)K76.CB as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)S78.N only 0.000 apart, marking (T0301)K76.CA as missing WARNING: atoms too close: (T0301)K76.N and (T0301)S78.N only 0.000 apart, marking (T0301)K76.N as missing WARNING: atoms too close: (T0301)S75.C and (T0301)S78.N only 0.000 apart, marking (T0301)S78.N as missing WARNING: atoms too close: (T0301)S78.N and (T0301)S78.CA only 0.000 apart, marking (T0301)S78.CA as missing WARNING: atoms too close: (T0301)S77.C and (T0301)S78.CA only 0.000 apart, marking (T0301)S78.CA as missing WARNING: atoms too close: (T0301)S77.O and (T0301)S78.CA only 0.000 apart, marking (T0301)S78.CA as missing WARNING: atoms too close: (T0301)S77.OG and (T0301)S78.CA only 0.000 apart, marking (T0301)S78.CA as missing WARNING: atoms too close: (T0301)S77.CB and (T0301)S78.CA only 0.000 apart, marking (T0301)S78.CA as missing WARNING: atoms too close: (T0301)S77.CA and (T0301)S78.CA only 0.000 apart, marking (T0301)S78.CA as missing WARNING: atoms too close: (T0301)S77.N and (T0301)S78.CA only 0.000 apart, marking (T0301)S78.CA as missing WARNING: atoms too close: (T0301)K76.C and (T0301)S78.CA only 0.000 apart, marking (T0301)S78.CA as missing WARNING: atoms too close: (T0301)K76.O and (T0301)S78.CA only 0.000 apart, marking (T0301)S78.CA as missing WARNING: atoms too close: (T0301)K76.NZ and (T0301)S78.CA only 0.000 apart, marking (T0301)S78.CA as missing WARNING: atoms too close: (T0301)K76.CE and (T0301)S78.CA only 0.000 apart, marking (T0301)S78.CA as missing WARNING: atoms too close: (T0301)K76.CD and (T0301)S78.CA only 0.000 apart, marking (T0301)S78.CA as missing WARNING: atoms too close: (T0301)K76.CG and (T0301)S78.CA only 0.000 apart, marking (T0301)S78.CA as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)S78.CA only 0.000 apart, marking (T0301)S78.CA as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)S78.CA only 0.000 apart, marking (T0301)S78.CA as missing WARNING: atoms too close: (T0301)K76.N and (T0301)S78.CA only 0.000 apart, marking (T0301)S78.CA as missing WARNING: atoms too close: (T0301)S75.C and (T0301)S78.CA only 0.000 apart, marking (T0301)S78.CA as missing WARNING: atoms too close: (T0301)S78.CA and (T0301)S78.CB only 0.000 apart, marking (T0301)S78.CB as missing WARNING: atoms too close: (T0301)S78.N and (T0301)S78.CB only 0.000 apart, marking (T0301)S78.CB as missing WARNING: atoms too close: (T0301)S77.C and (T0301)S78.CB only 0.000 apart, marking (T0301)S78.CB as missing WARNING: atoms too close: (T0301)S77.O and (T0301)S78.CB only 0.000 apart, marking (T0301)S78.CB as missing WARNING: atoms too close: (T0301)S77.OG and (T0301)S78.CB only 0.000 apart, marking (T0301)S78.CB as missing WARNING: atoms too close: (T0301)S77.CB and (T0301)S78.CB only 0.000 apart, marking (T0301)S78.CB as missing WARNING: atoms too close: (T0301)S77.CA and (T0301)S78.CB only 0.000 apart, marking (T0301)S78.CB as missing WARNING: atoms too close: (T0301)S77.N and (T0301)S78.CB only 0.000 apart, marking (T0301)S78.CB as missing WARNING: atoms too close: (T0301)K76.C and (T0301)S78.CB only 0.000 apart, marking (T0301)S78.CB as missing WARNING: atoms too close: (T0301)K76.O and (T0301)S78.CB only 0.000 apart, marking (T0301)S78.CB as missing WARNING: atoms too close: (T0301)K76.NZ and (T0301)S78.CB only 0.000 apart, marking (T0301)S78.CB as missing WARNING: atoms too close: (T0301)K76.CE and (T0301)S78.CB only 0.000 apart, marking (T0301)S78.CB as missing WARNING: atoms too close: (T0301)K76.CD and (T0301)S78.CB only 0.000 apart, marking (T0301)S78.CB as missing WARNING: atoms too close: (T0301)K76.CG and (T0301)S78.CB only 0.000 apart, marking (T0301)S78.CB as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)S78.CB only 0.000 apart, marking (T0301)S78.CB as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)S78.CB only 0.000 apart, marking (T0301)S78.CB as missing WARNING: atoms too close: (T0301)K76.N and (T0301)S78.CB only 0.000 apart, marking (T0301)S78.CB as missing WARNING: atoms too close: (T0301)S75.C and (T0301)S78.CB only 0.000 apart, marking (T0301)S78.CB as missing WARNING: atoms too close: (T0301)S78.CB and (T0301)S78.OG only 0.000 apart, marking (T0301)S78.OG as missing WARNING: atoms too close: (T0301)S78.CA and (T0301)S78.OG only 0.000 apart, marking (T0301)S78.OG as missing WARNING: atoms too close: (T0301)S78.N and (T0301)S78.OG only 0.000 apart, marking (T0301)S78.OG as missing WARNING: atoms too close: (T0301)S77.C and (T0301)S78.OG only 0.000 apart, marking (T0301)S78.OG as missing WARNING: atoms too close: (T0301)S77.O and (T0301)S78.OG only 0.000 apart, marking (T0301)S78.OG as missing WARNING: atoms too close: (T0301)S77.OG and (T0301)S78.OG only 0.000 apart, marking (T0301)S78.OG as missing WARNING: atoms too close: (T0301)S77.CB and (T0301)S78.OG only 0.000 apart, marking (T0301)S78.OG as missing WARNING: atoms too close: (T0301)S77.CA and (T0301)S78.OG only 0.000 apart, marking (T0301)S78.OG as missing WARNING: atoms too close: (T0301)S77.N and (T0301)S78.OG only 0.000 apart, marking (T0301)S78.OG as missing WARNING: atoms too close: (T0301)K76.C and (T0301)S78.OG only 0.000 apart, marking (T0301)S78.OG as missing WARNING: atoms too close: (T0301)K76.O and (T0301)S78.OG only 0.000 apart, marking (T0301)S78.OG as missing WARNING: atoms too close: (T0301)K76.NZ and (T0301)S78.OG only 0.000 apart, marking (T0301)S78.OG as missing WARNING: atoms too close: (T0301)K76.CE and (T0301)S78.OG only 0.000 apart, marking (T0301)S78.OG as missing WARNING: atoms too close: (T0301)K76.CD and (T0301)S78.OG only 0.000 apart, marking (T0301)S78.OG as missing WARNING: atoms too close: (T0301)K76.CG and (T0301)S78.OG only 0.000 apart, marking (T0301)S78.OG as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)S78.OG only 0.000 apart, marking (T0301)S78.OG as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)S78.OG only 0.000 apart, marking (T0301)S78.OG as missing WARNING: atoms too close: (T0301)K76.N and (T0301)S78.OG only 0.000 apart, marking (T0301)S78.OG as missing WARNING: atoms too close: (T0301)S75.C and (T0301)S78.OG only 0.000 apart, marking (T0301)S78.OG as missing WARNING: atoms too close: (T0301)S78.OG and (T0301)S78.O only 0.000 apart, marking (T0301)S78.O as missing WARNING: atoms too close: (T0301)S78.CB and (T0301)S78.O only 0.000 apart, marking (T0301)S78.O as missing WARNING: atoms too close: (T0301)S78.CA and (T0301)S78.O only 0.000 apart, marking (T0301)S78.O as missing WARNING: atoms too close: (T0301)S78.N and (T0301)S78.O only 0.000 apart, marking (T0301)S78.O as missing WARNING: atoms too close: (T0301)S77.C and (T0301)S78.O only 0.000 apart, marking (T0301)S78.O as missing WARNING: atoms too close: (T0301)S77.O and (T0301)S78.O only 0.000 apart, marking (T0301)S78.O as missing WARNING: atoms too close: (T0301)S77.OG and (T0301)S78.O only 0.000 apart, marking (T0301)S78.O as missing WARNING: atoms too close: (T0301)S77.CB and (T0301)S78.O only 0.000 apart, marking (T0301)S78.O as missing WARNING: atoms too close: (T0301)S77.CA and (T0301)S78.O only 0.000 apart, marking (T0301)S78.O as missing WARNING: atoms too close: (T0301)S77.N and (T0301)S78.O only 0.000 apart, marking (T0301)S78.O as missing WARNING: atoms too close: (T0301)K76.C and (T0301)S78.O only 0.000 apart, marking (T0301)S78.O as missing WARNING: atoms too close: (T0301)K76.O and (T0301)S78.O only 0.000 apart, marking (T0301)S78.O as missing WARNING: atoms too close: (T0301)K76.NZ and (T0301)S78.O only 0.000 apart, marking (T0301)S78.O as missing WARNING: atoms too close: (T0301)K76.CE and (T0301)S78.O only 0.000 apart, marking (T0301)S78.O as missing WARNING: atoms too close: (T0301)K76.CD and (T0301)S78.O only 0.000 apart, marking (T0301)S78.O as missing WARNING: atoms too close: (T0301)K76.CG and (T0301)S78.O only 0.000 apart, marking (T0301)S78.O as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)S78.O only 0.000 apart, marking (T0301)S78.O as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)S78.O only 0.000 apart, marking (T0301)S78.O as missing WARNING: atoms too close: (T0301)K76.N and (T0301)S78.O only 0.000 apart, marking (T0301)S78.O as missing WARNING: atoms too close: (T0301)S75.C and (T0301)S78.O only 0.000 apart, marking (T0301)S78.O as missing WARNING: atoms too close: (T0301)S78.O and (T0301)S78.C only 0.000 apart, marking (T0301)S78.C as missing WARNING: atoms too close: (T0301)S78.OG and (T0301)S78.C only 0.000 apart, marking (T0301)S78.C as missing WARNING: atoms too close: (T0301)S78.CB and (T0301)S78.C only 0.000 apart, marking (T0301)S78.C as missing WARNING: atoms too close: (T0301)S78.CA and (T0301)S78.C only 0.000 apart, marking (T0301)S78.C as missing WARNING: atoms too close: (T0301)S78.N and (T0301)S78.C only 0.000 apart, marking (T0301)S78.C as missing WARNING: atoms too close: (T0301)S77.C and (T0301)S78.C only 0.000 apart, marking (T0301)S78.C as missing WARNING: atoms too close: (T0301)S77.O and (T0301)S78.C only 0.000 apart, marking (T0301)S78.C as missing WARNING: atoms too close: (T0301)S77.OG and (T0301)S78.C only 0.000 apart, marking (T0301)S78.C as missing WARNING: atoms too close: (T0301)S77.CB and (T0301)S78.C only 0.000 apart, marking (T0301)S78.C as missing WARNING: atoms too close: (T0301)S77.CA and (T0301)S78.C only 0.000 apart, marking (T0301)S78.C as missing WARNING: atoms too close: (T0301)S77.N and (T0301)S78.C only 0.000 apart, marking (T0301)S78.C as missing WARNING: atoms too close: (T0301)K76.C and (T0301)S78.C only 0.000 apart, marking (T0301)S78.C as missing WARNING: atoms too close: (T0301)K76.O and (T0301)S78.C only 0.000 apart, marking (T0301)S78.C as missing WARNING: atoms too close: (T0301)K76.NZ and (T0301)S78.C only 0.000 apart, marking (T0301)S78.C as missing WARNING: atoms too close: (T0301)K76.CE and (T0301)S78.C only 0.000 apart, marking (T0301)S78.C as missing WARNING: atoms too close: (T0301)K76.CD and (T0301)S78.C only 0.000 apart, marking (T0301)S78.C as missing WARNING: atoms too close: (T0301)K76.CG and (T0301)S78.C only 0.000 apart, marking (T0301)S78.C as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)S78.C only 0.000 apart, marking (T0301)S78.C as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)S78.C only 0.000 apart, marking (T0301)S78.C as missing WARNING: atoms too close: (T0301)K76.N and (T0301)S78.C only 0.000 apart, marking (T0301)S78.C as missing WARNING: atoms too close: (T0301)S75.C and (T0301)S78.C only 0.000 apart, marking (T0301)S78.C as missing WARNING: atoms too close: (T0301)S78.C and (T0301)Q79.N only 0.000 apart, marking (T0301)S78.C as missing WARNING: atoms too close: (T0301)S78.O and (T0301)Q79.N only 0.000 apart, marking (T0301)S78.O as missing WARNING: atoms too close: (T0301)S78.OG and (T0301)Q79.N only 0.000 apart, marking (T0301)S78.OG as missing WARNING: atoms too close: (T0301)S78.CB and (T0301)Q79.N only 0.000 apart, marking (T0301)S78.CB as missing WARNING: atoms too close: (T0301)S78.CA and (T0301)Q79.N only 0.000 apart, marking (T0301)S78.CA as missing WARNING: atoms too close: (T0301)S78.N and (T0301)Q79.N only 0.000 apart, marking (T0301)S78.N as missing WARNING: atoms too close: (T0301)S77.C and (T0301)Q79.N only 0.000 apart, marking (T0301)S77.C as missing WARNING: atoms too close: (T0301)S77.O and (T0301)Q79.N only 0.000 apart, marking (T0301)S77.O as missing WARNING: atoms too close: (T0301)S77.OG and (T0301)Q79.N only 0.000 apart, marking (T0301)S77.OG as missing WARNING: atoms too close: (T0301)S77.CB and (T0301)Q79.N only 0.000 apart, marking (T0301)S77.CB as missing WARNING: atoms too close: (T0301)S77.CA and (T0301)Q79.N only 0.000 apart, marking (T0301)S77.CA as missing WARNING: atoms too close: (T0301)S77.N and (T0301)Q79.N only 0.000 apart, marking (T0301)S77.N as missing WARNING: atoms too close: (T0301)K76.C and (T0301)Q79.N only 0.000 apart, marking (T0301)K76.C as missing WARNING: atoms too close: (T0301)K76.O and (T0301)Q79.N only 0.000 apart, marking (T0301)K76.O as missing WARNING: atoms too close: (T0301)K76.NZ and (T0301)Q79.N only 0.000 apart, marking (T0301)K76.NZ as missing WARNING: atoms too close: (T0301)K76.CE and (T0301)Q79.N only 0.000 apart, marking (T0301)K76.CE as missing WARNING: atoms too close: (T0301)K76.CD and (T0301)Q79.N only 0.000 apart, marking (T0301)K76.CD as missing WARNING: atoms too close: (T0301)K76.CG and (T0301)Q79.N only 0.000 apart, marking (T0301)K76.CG as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)Q79.N only 0.000 apart, marking (T0301)K76.CB as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)Q79.N only 0.000 apart, marking (T0301)K76.CA as missing WARNING: atoms too close: (T0301)K76.N and (T0301)Q79.N only 0.000 apart, marking (T0301)K76.N as missing WARNING: atoms too close: (T0301)S75.C and (T0301)Q79.N only 0.000 apart, marking (T0301)Q79.N as missing WARNING: atoms too close: (T0301)Q79.N and (T0301)Q79.CA only 0.000 apart, marking (T0301)Q79.CA as missing WARNING: atoms too close: (T0301)S78.C and (T0301)Q79.CA only 0.000 apart, marking (T0301)Q79.CA as missing WARNING: atoms too close: (T0301)S78.O and (T0301)Q79.CA only 0.000 apart, marking (T0301)Q79.CA as missing WARNING: atoms too close: (T0301)S78.OG and (T0301)Q79.CA only 0.000 apart, marking (T0301)Q79.CA as missing WARNING: atoms too close: (T0301)S78.CB and (T0301)Q79.CA only 0.000 apart, marking (T0301)Q79.CA as missing WARNING: atoms too close: (T0301)S78.CA and (T0301)Q79.CA only 0.000 apart, marking (T0301)Q79.CA as missing WARNING: atoms too close: (T0301)S78.N and (T0301)Q79.CA only 0.000 apart, marking (T0301)Q79.CA as missing WARNING: atoms too close: (T0301)S77.C and (T0301)Q79.CA only 0.000 apart, marking (T0301)Q79.CA as missing WARNING: atoms too close: (T0301)S77.O and (T0301)Q79.CA only 0.000 apart, marking (T0301)Q79.CA as missing WARNING: atoms too close: (T0301)S77.OG and (T0301)Q79.CA only 0.000 apart, marking (T0301)Q79.CA as missing WARNING: atoms too close: (T0301)S77.CB and (T0301)Q79.CA only 0.000 apart, marking (T0301)Q79.CA as missing WARNING: atoms too close: (T0301)S77.CA and (T0301)Q79.CA only 0.000 apart, marking (T0301)Q79.CA as missing WARNING: atoms too close: (T0301)S77.N and (T0301)Q79.CA only 0.000 apart, marking (T0301)Q79.CA as missing WARNING: atoms too close: (T0301)K76.C and (T0301)Q79.CA only 0.000 apart, marking (T0301)Q79.CA as missing WARNING: atoms too close: (T0301)K76.O and (T0301)Q79.CA only 0.000 apart, marking (T0301)Q79.CA as missing WARNING: atoms too close: (T0301)K76.NZ and (T0301)Q79.CA only 0.000 apart, marking (T0301)Q79.CA as missing WARNING: atoms too close: (T0301)K76.CE and (T0301)Q79.CA only 0.000 apart, marking (T0301)Q79.CA as missing WARNING: atoms too close: (T0301)K76.CD and (T0301)Q79.CA only 0.000 apart, marking (T0301)Q79.CA as missing WARNING: atoms too close: (T0301)K76.CG and (T0301)Q79.CA only 0.000 apart, marking (T0301)Q79.CA as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)Q79.CA only 0.000 apart, marking (T0301)Q79.CA as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)Q79.CA only 0.000 apart, marking (T0301)Q79.CA as missing WARNING: atoms too close: (T0301)K76.N and (T0301)Q79.CA only 0.000 apart, marking (T0301)Q79.CA as missing WARNING: atoms too close: (T0301)S75.C and (T0301)Q79.CA only 0.000 apart, marking (T0301)Q79.CA as missing WARNING: atoms too close: (T0301)Q79.CA and (T0301)Q79.CB only 0.000 apart, marking (T0301)Q79.CB as missing WARNING: atoms too close: (T0301)Q79.N and (T0301)Q79.CB only 0.000 apart, marking (T0301)Q79.CB as missing WARNING: atoms too close: (T0301)S78.C and (T0301)Q79.CB only 0.000 apart, marking (T0301)Q79.CB as missing WARNING: atoms too close: (T0301)S78.O and (T0301)Q79.CB only 0.000 apart, marking (T0301)Q79.CB as missing WARNING: atoms too close: (T0301)S78.OG and (T0301)Q79.CB only 0.000 apart, marking (T0301)Q79.CB as missing WARNING: atoms too close: (T0301)S78.CB and (T0301)Q79.CB only 0.000 apart, marking (T0301)Q79.CB as missing WARNING: atoms too close: (T0301)S78.CA and (T0301)Q79.CB only 0.000 apart, marking (T0301)Q79.CB as missing WARNING: atoms too close: (T0301)S78.N and (T0301)Q79.CB only 0.000 apart, marking (T0301)Q79.CB as missing WARNING: atoms too close: (T0301)S77.C and (T0301)Q79.CB only 0.000 apart, marking (T0301)Q79.CB as missing WARNING: atoms too close: (T0301)S77.O and (T0301)Q79.CB only 0.000 apart, marking (T0301)Q79.CB as missing WARNING: atoms too close: (T0301)S77.OG and (T0301)Q79.CB only 0.000 apart, marking (T0301)Q79.CB as missing WARNING: atoms too close: (T0301)S77.CB and (T0301)Q79.CB only 0.000 apart, marking (T0301)Q79.CB as missing WARNING: atoms too close: (T0301)S77.CA and (T0301)Q79.CB only 0.000 apart, marking (T0301)Q79.CB as missing WARNING: atoms too close: (T0301)S77.N and (T0301)Q79.CB only 0.000 apart, marking (T0301)Q79.CB as missing WARNING: atoms too close: (T0301)K76.C and (T0301)Q79.CB only 0.000 apart, marking (T0301)Q79.CB as missing WARNING: atoms too close: (T0301)K76.O and (T0301)Q79.CB only 0.000 apart, marking (T0301)Q79.CB as missing WARNING: atoms too close: (T0301)K76.NZ and (T0301)Q79.CB only 0.000 apart, marking (T0301)Q79.CB as missing WARNING: atoms too close: (T0301)K76.CE and (T0301)Q79.CB only 0.000 apart, marking (T0301)Q79.CB as missing WARNING: atoms too close: (T0301)K76.CD and (T0301)Q79.CB only 0.000 apart, marking (T0301)Q79.CB as missing WARNING: atoms too close: (T0301)K76.CG and (T0301)Q79.CB only 0.000 apart, marking (T0301)Q79.CB as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)Q79.CB only 0.000 apart, marking (T0301)Q79.CB as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)Q79.CB only 0.000 apart, marking (T0301)Q79.CB as missing WARNING: atoms too close: (T0301)K76.N and (T0301)Q79.CB only 0.000 apart, marking (T0301)Q79.CB as missing WARNING: atoms too close: (T0301)S75.C and (T0301)Q79.CB only 0.000 apart, marking (T0301)Q79.CB as missing WARNING: atoms too close: (T0301)Q79.CB and (T0301)Q79.CG only 0.000 apart, marking (T0301)Q79.CG as missing WARNING: atoms too close: (T0301)Q79.CA and (T0301)Q79.CG only 0.000 apart, marking (T0301)Q79.CG as missing WARNING: atoms too close: (T0301)Q79.N and (T0301)Q79.CG only 0.000 apart, marking (T0301)Q79.CG as missing WARNING: atoms too close: (T0301)S78.C and (T0301)Q79.CG only 0.000 apart, marking (T0301)Q79.CG as missing WARNING: atoms too close: (T0301)S78.O and (T0301)Q79.CG only 0.000 apart, marking (T0301)Q79.CG as missing WARNING: atoms too close: (T0301)S78.OG and (T0301)Q79.CG only 0.000 apart, marking (T0301)Q79.CG as missing WARNING: atoms too close: (T0301)S78.CB and (T0301)Q79.CG only 0.000 apart, marking (T0301)Q79.CG as missing WARNING: atoms too close: (T0301)S78.CA and (T0301)Q79.CG only 0.000 apart, marking (T0301)Q79.CG as missing WARNING: atoms too close: (T0301)S78.N and (T0301)Q79.CG only 0.000 apart, marking (T0301)Q79.CG as missing WARNING: atoms too close: (T0301)S77.C and (T0301)Q79.CG only 0.000 apart, marking (T0301)Q79.CG as missing WARNING: atoms too close: (T0301)S77.O and (T0301)Q79.CG only 0.000 apart, marking (T0301)Q79.CG as missing WARNING: atoms too close: (T0301)S77.OG and (T0301)Q79.CG only 0.000 apart, marking (T0301)Q79.CG as missing WARNING: atoms too close: (T0301)S77.CB and (T0301)Q79.CG only 0.000 apart, marking (T0301)Q79.CG as missing WARNING: atoms too close: (T0301)S77.CA and (T0301)Q79.CG only 0.000 apart, marking (T0301)Q79.CG as missing WARNING: atoms too close: (T0301)S77.N and (T0301)Q79.CG only 0.000 apart, marking (T0301)Q79.CG as missing WARNING: atoms too close: (T0301)K76.C and (T0301)Q79.CG only 0.000 apart, marking (T0301)Q79.CG as missing WARNING: atoms too close: (T0301)K76.O and (T0301)Q79.CG only 0.000 apart, marking (T0301)Q79.CG as missing WARNING: atoms too close: (T0301)K76.NZ and (T0301)Q79.CG only 0.000 apart, marking (T0301)Q79.CG as missing WARNING: atoms too close: (T0301)K76.CE and (T0301)Q79.CG only 0.000 apart, marking (T0301)Q79.CG as missing WARNING: atoms too close: (T0301)K76.CD and (T0301)Q79.CG only 0.000 apart, marking (T0301)Q79.CG as missing WARNING: atoms too close: (T0301)K76.CG and (T0301)Q79.CG only 0.000 apart, marking (T0301)Q79.CG as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)Q79.CG only 0.000 apart, marking (T0301)Q79.CG as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)Q79.CG only 0.000 apart, marking (T0301)Q79.CG as missing WARNING: atoms too close: (T0301)K76.N and (T0301)Q79.CG only 0.000 apart, marking (T0301)Q79.CG as missing WARNING: atoms too close: (T0301)S75.C and (T0301)Q79.CG only 0.000 apart, marking (T0301)Q79.CG as missing WARNING: atoms too close: (T0301)Q79.CG and (T0301)Q79.CD only 0.000 apart, marking (T0301)Q79.CD as missing WARNING: atoms too close: (T0301)Q79.CB and (T0301)Q79.CD only 0.000 apart, marking (T0301)Q79.CD as missing WARNING: atoms too close: (T0301)Q79.CA and (T0301)Q79.CD only 0.000 apart, marking (T0301)Q79.CD as missing WARNING: atoms too close: (T0301)Q79.N and (T0301)Q79.CD only 0.000 apart, marking (T0301)Q79.CD as missing WARNING: atoms too close: (T0301)S78.C and (T0301)Q79.CD only 0.000 apart, marking (T0301)Q79.CD as missing WARNING: atoms too close: (T0301)S78.O and (T0301)Q79.CD only 0.000 apart, marking (T0301)Q79.CD as missing WARNING: atoms too close: (T0301)S78.OG and (T0301)Q79.CD only 0.000 apart, marking (T0301)Q79.CD as missing WARNING: atoms too close: (T0301)S78.CB and (T0301)Q79.CD only 0.000 apart, marking (T0301)Q79.CD as missing WARNING: atoms too close: (T0301)S78.CA and (T0301)Q79.CD only 0.000 apart, marking (T0301)Q79.CD as missing WARNING: atoms too close: (T0301)S78.N and (T0301)Q79.CD only 0.000 apart, marking (T0301)Q79.CD as missing WARNING: atoms too close: (T0301)S77.C and (T0301)Q79.CD only 0.000 apart, marking (T0301)Q79.CD as missing WARNING: atoms too close: (T0301)S77.O and (T0301)Q79.CD only 0.000 apart, marking (T0301)Q79.CD as missing WARNING: atoms too close: (T0301)S77.OG and (T0301)Q79.CD only 0.000 apart, marking (T0301)Q79.CD as missing WARNING: atoms too close: (T0301)S77.CB and (T0301)Q79.CD only 0.000 apart, marking (T0301)Q79.CD as missing WARNING: atoms too close: (T0301)S77.CA and (T0301)Q79.CD only 0.000 apart, marking (T0301)Q79.CD as missing WARNING: atoms too close: (T0301)S77.N and (T0301)Q79.CD only 0.000 apart, marking (T0301)Q79.CD as missing WARNING: atoms too close: (T0301)K76.C and (T0301)Q79.CD only 0.000 apart, marking (T0301)Q79.CD as missing WARNING: atoms too close: (T0301)K76.O and (T0301)Q79.CD only 0.000 apart, marking (T0301)Q79.CD as missing WARNING: atoms too close: (T0301)K76.NZ and (T0301)Q79.CD only 0.000 apart, marking (T0301)Q79.CD as missing WARNING: atoms too close: (T0301)K76.CE and (T0301)Q79.CD only 0.000 apart, marking (T0301)Q79.CD as missing WARNING: atoms too close: (T0301)K76.CD and (T0301)Q79.CD only 0.000 apart, marking (T0301)Q79.CD as missing WARNING: atoms too close: (T0301)K76.CG and (T0301)Q79.CD only 0.000 apart, marking (T0301)Q79.CD as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)Q79.CD only 0.000 apart, marking (T0301)Q79.CD as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)Q79.CD only 0.000 apart, marking (T0301)Q79.CD as missing WARNING: atoms too close: (T0301)K76.N and (T0301)Q79.CD only 0.000 apart, marking (T0301)Q79.CD as missing WARNING: atoms too close: (T0301)S75.C and (T0301)Q79.CD only 0.000 apart, marking (T0301)Q79.CD as missing WARNING: atoms too close: (T0301)Q79.CD and (T0301)Q79.OE1 only 0.000 apart, marking (T0301)Q79.OE1 as missing WARNING: atoms too close: (T0301)Q79.CG and (T0301)Q79.OE1 only 0.000 apart, marking (T0301)Q79.OE1 as missing WARNING: atoms too close: (T0301)Q79.CB and (T0301)Q79.OE1 only 0.000 apart, marking (T0301)Q79.OE1 as missing WARNING: atoms too close: (T0301)Q79.CA and (T0301)Q79.OE1 only 0.000 apart, marking (T0301)Q79.OE1 as missing WARNING: atoms too close: (T0301)Q79.N and (T0301)Q79.OE1 only 0.000 apart, marking (T0301)Q79.OE1 as missing WARNING: atoms too close: (T0301)S78.C and (T0301)Q79.OE1 only 0.000 apart, marking (T0301)Q79.OE1 as missing WARNING: atoms too close: (T0301)S78.O and (T0301)Q79.OE1 only 0.000 apart, marking (T0301)Q79.OE1 as missing WARNING: atoms too close: (T0301)S78.OG and (T0301)Q79.OE1 only 0.000 apart, marking (T0301)Q79.OE1 as missing WARNING: atoms too close: (T0301)S78.CB and (T0301)Q79.OE1 only 0.000 apart, marking (T0301)Q79.OE1 as missing WARNING: atoms too close: (T0301)S78.CA and (T0301)Q79.OE1 only 0.000 apart, marking (T0301)Q79.OE1 as missing WARNING: atoms too close: (T0301)S78.N and (T0301)Q79.OE1 only 0.000 apart, marking (T0301)Q79.OE1 as missing WARNING: atoms too close: (T0301)S77.C and (T0301)Q79.OE1 only 0.000 apart, marking (T0301)Q79.OE1 as missing WARNING: atoms too close: (T0301)S77.O and (T0301)Q79.OE1 only 0.000 apart, marking (T0301)Q79.OE1 as missing WARNING: atoms too close: (T0301)S77.OG and (T0301)Q79.OE1 only 0.000 apart, marking (T0301)Q79.OE1 as missing WARNING: atoms too close: (T0301)S77.CB and (T0301)Q79.OE1 only 0.000 apart, marking (T0301)Q79.OE1 as missing WARNING: atoms too close: (T0301)S77.CA and (T0301)Q79.OE1 only 0.000 apart, marking (T0301)Q79.OE1 as missing WARNING: atoms too close: (T0301)S77.N and (T0301)Q79.OE1 only 0.000 apart, marking (T0301)Q79.OE1 as missing WARNING: atoms too close: (T0301)K76.C and (T0301)Q79.OE1 only 0.000 apart, marking (T0301)Q79.OE1 as missing WARNING: atoms too close: (T0301)K76.O and (T0301)Q79.OE1 only 0.000 apart, marking (T0301)Q79.OE1 as missing WARNING: atoms too close: (T0301)K76.NZ and (T0301)Q79.OE1 only 0.000 apart, marking (T0301)Q79.OE1 as missing WARNING: atoms too close: (T0301)K76.CE and (T0301)Q79.OE1 only 0.000 apart, marking (T0301)Q79.OE1 as missing WARNING: atoms too close: (T0301)K76.CD and (T0301)Q79.OE1 only 0.000 apart, marking (T0301)Q79.OE1 as missing WARNING: atoms too close: (T0301)K76.CG and (T0301)Q79.OE1 only 0.000 apart, marking (T0301)Q79.OE1 as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)Q79.OE1 only 0.000 apart, marking (T0301)Q79.OE1 as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)Q79.OE1 only 0.000 apart, marking (T0301)Q79.OE1 as missing WARNING: atoms too close: (T0301)K76.N and (T0301)Q79.OE1 only 0.000 apart, marking (T0301)Q79.OE1 as missing WARNING: atoms too close: (T0301)S75.C and (T0301)Q79.OE1 only 0.000 apart, marking (T0301)Q79.OE1 as missing WARNING: atoms too close: (T0301)Q79.OE1 and (T0301)Q79.NE2 only 0.000 apart, marking (T0301)Q79.NE2 as missing WARNING: atoms too close: (T0301)Q79.CD and (T0301)Q79.NE2 only 0.000 apart, marking (T0301)Q79.NE2 as missing WARNING: atoms too close: (T0301)Q79.CG and (T0301)Q79.NE2 only 0.000 apart, marking (T0301)Q79.NE2 as missing WARNING: atoms too close: (T0301)Q79.CB and (T0301)Q79.NE2 only 0.000 apart, marking (T0301)Q79.NE2 as missing WARNING: atoms too close: (T0301)Q79.CA and (T0301)Q79.NE2 only 0.000 apart, marking (T0301)Q79.NE2 as missing WARNING: atoms too close: (T0301)Q79.N and (T0301)Q79.NE2 only 0.000 apart, marking (T0301)Q79.NE2 as missing WARNING: atoms too close: (T0301)S78.C and (T0301)Q79.NE2 only 0.000 apart, marking (T0301)Q79.NE2 as missing WARNING: atoms too close: (T0301)S78.O and (T0301)Q79.NE2 only 0.000 apart, marking (T0301)Q79.NE2 as missing WARNING: atoms too close: (T0301)S78.OG and (T0301)Q79.NE2 only 0.000 apart, marking (T0301)Q79.NE2 as missing WARNING: atoms too close: (T0301)S78.CB and (T0301)Q79.NE2 only 0.000 apart, marking (T0301)Q79.NE2 as missing WARNING: atoms too close: (T0301)S78.CA and (T0301)Q79.NE2 only 0.000 apart, marking (T0301)Q79.NE2 as missing WARNING: atoms too close: (T0301)S78.N and (T0301)Q79.NE2 only 0.000 apart, marking (T0301)Q79.NE2 as missing WARNING: atoms too close: (T0301)S77.C and (T0301)Q79.NE2 only 0.000 apart, marking (T0301)Q79.NE2 as missing WARNING: atoms too close: (T0301)S77.O and (T0301)Q79.NE2 only 0.000 apart, marking (T0301)Q79.NE2 as missing WARNING: atoms too close: (T0301)S77.OG and (T0301)Q79.NE2 only 0.000 apart, marking (T0301)Q79.NE2 as missing WARNING: atoms too close: (T0301)S77.CB and (T0301)Q79.NE2 only 0.000 apart, marking (T0301)Q79.NE2 as missing WARNING: atoms too close: (T0301)S77.CA and (T0301)Q79.NE2 only 0.000 apart, marking (T0301)Q79.NE2 as missing WARNING: atoms too close: (T0301)S77.N and (T0301)Q79.NE2 only 0.000 apart, marking (T0301)Q79.NE2 as missing WARNING: atoms too close: (T0301)K76.C and (T0301)Q79.NE2 only 0.000 apart, marking (T0301)Q79.NE2 as missing WARNING: atoms too close: (T0301)K76.O and (T0301)Q79.NE2 only 0.000 apart, marking (T0301)Q79.NE2 as missing WARNING: atoms too close: (T0301)K76.NZ and (T0301)Q79.NE2 only 0.000 apart, marking (T0301)Q79.NE2 as missing WARNING: atoms too close: (T0301)K76.CE and (T0301)Q79.NE2 only 0.000 apart, marking (T0301)Q79.NE2 as missing WARNING: atoms too close: (T0301)K76.CD and (T0301)Q79.NE2 only 0.000 apart, marking (T0301)Q79.NE2 as missing WARNING: atoms too close: (T0301)K76.CG and (T0301)Q79.NE2 only 0.000 apart, marking (T0301)Q79.NE2 as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)Q79.NE2 only 0.000 apart, marking (T0301)Q79.NE2 as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)Q79.NE2 only 0.000 apart, marking (T0301)Q79.NE2 as missing WARNING: atoms too close: (T0301)K76.N and (T0301)Q79.NE2 only 0.000 apart, marking (T0301)Q79.NE2 as missing WARNING: atoms too close: (T0301)S75.C and (T0301)Q79.NE2 only 0.000 apart, marking (T0301)Q79.NE2 as missing WARNING: atoms too close: (T0301)Q79.NE2 and (T0301)Q79.O only 0.000 apart, marking (T0301)Q79.O as missing WARNING: atoms too close: (T0301)Q79.OE1 and (T0301)Q79.O only 0.000 apart, marking (T0301)Q79.O as missing WARNING: atoms too close: (T0301)Q79.CD and (T0301)Q79.O only 0.000 apart, marking (T0301)Q79.O as missing WARNING: atoms too close: (T0301)Q79.CG and (T0301)Q79.O only 0.000 apart, marking (T0301)Q79.O as missing WARNING: atoms too close: (T0301)Q79.CB and (T0301)Q79.O only 0.000 apart, marking (T0301)Q79.O as missing WARNING: atoms too close: (T0301)Q79.CA and (T0301)Q79.O only 0.000 apart, marking (T0301)Q79.O as missing WARNING: atoms too close: (T0301)Q79.N and (T0301)Q79.O only 0.000 apart, marking (T0301)Q79.O as missing WARNING: atoms too close: (T0301)S78.C and (T0301)Q79.O only 0.000 apart, marking (T0301)Q79.O as missing WARNING: atoms too close: (T0301)S78.O and (T0301)Q79.O only 0.000 apart, marking (T0301)Q79.O as missing WARNING: atoms too close: (T0301)S78.OG and (T0301)Q79.O only 0.000 apart, marking (T0301)Q79.O as missing WARNING: atoms too close: (T0301)S78.CB and (T0301)Q79.O only 0.000 apart, marking (T0301)Q79.O as missing WARNING: atoms too close: (T0301)S78.CA and (T0301)Q79.O only 0.000 apart, marking (T0301)Q79.O as missing WARNING: atoms too close: (T0301)S78.N and (T0301)Q79.O only 0.000 apart, marking (T0301)Q79.O as missing WARNING: atoms too close: (T0301)S77.C and (T0301)Q79.O only 0.000 apart, marking (T0301)Q79.O as missing WARNING: atoms too close: (T0301)S77.O and (T0301)Q79.O only 0.000 apart, marking (T0301)Q79.O as missing WARNING: atoms too close: (T0301)S77.OG and (T0301)Q79.O only 0.000 apart, marking (T0301)Q79.O as missing WARNING: atoms too close: (T0301)S77.CB and (T0301)Q79.O only 0.000 apart, marking (T0301)Q79.O as missing WARNING: atoms too close: (T0301)S77.CA and (T0301)Q79.O only 0.000 apart, marking (T0301)Q79.O as missing WARNING: atoms too close: (T0301)S77.N and (T0301)Q79.O only 0.000 apart, marking (T0301)Q79.O as missing WARNING: atoms too close: (T0301)K76.C and (T0301)Q79.O only 0.000 apart, marking (T0301)Q79.O as missing WARNING: atoms too close: (T0301)K76.O and (T0301)Q79.O only 0.000 apart, marking (T0301)Q79.O as missing WARNING: atoms too close: (T0301)K76.NZ and (T0301)Q79.O only 0.000 apart, marking (T0301)Q79.O as missing WARNING: atoms too close: (T0301)K76.CE and (T0301)Q79.O only 0.000 apart, marking (T0301)Q79.O as missing WARNING: atoms too close: (T0301)K76.CD and (T0301)Q79.O only 0.000 apart, marking (T0301)Q79.O as missing WARNING: atoms too close: (T0301)K76.CG and (T0301)Q79.O only 0.000 apart, marking (T0301)Q79.O as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)Q79.O only 0.000 apart, marking (T0301)Q79.O as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)Q79.O only 0.000 apart, marking (T0301)Q79.O as missing WARNING: atoms too close: (T0301)K76.N and (T0301)Q79.O only 0.000 apart, marking (T0301)Q79.O as missing WARNING: atoms too close: (T0301)S75.C and (T0301)Q79.O only 0.000 apart, marking (T0301)Q79.O as missing WARNING: atoms too close: (T0301)Q79.O and (T0301)Q79.C only 0.000 apart, marking (T0301)Q79.C as missing WARNING: atoms too close: (T0301)Q79.NE2 and (T0301)Q79.C only 0.000 apart, marking (T0301)Q79.C as missing WARNING: atoms too close: (T0301)Q79.OE1 and (T0301)Q79.C only 0.000 apart, marking (T0301)Q79.C as missing WARNING: atoms too close: (T0301)Q79.CD and (T0301)Q79.C only 0.000 apart, marking (T0301)Q79.C as missing WARNING: atoms too close: (T0301)Q79.CG and (T0301)Q79.C only 0.000 apart, marking (T0301)Q79.C as missing WARNING: atoms too close: (T0301)Q79.CB and (T0301)Q79.C only 0.000 apart, marking (T0301)Q79.C as missing WARNING: atoms too close: (T0301)Q79.CA and (T0301)Q79.C only 0.000 apart, marking (T0301)Q79.C as missing WARNING: atoms too close: (T0301)Q79.N and (T0301)Q79.C only 0.000 apart, marking (T0301)Q79.C as missing WARNING: atoms too close: (T0301)S78.C and (T0301)Q79.C only 0.000 apart, marking (T0301)Q79.C as missing WARNING: atoms too close: (T0301)S78.O and (T0301)Q79.C only 0.000 apart, marking (T0301)Q79.C as missing WARNING: atoms too close: (T0301)S78.OG and (T0301)Q79.C only 0.000 apart, marking (T0301)Q79.C as missing WARNING: atoms too close: (T0301)S78.CB and (T0301)Q79.C only 0.000 apart, marking (T0301)Q79.C as missing WARNING: atoms too close: (T0301)S78.CA and (T0301)Q79.C only 0.000 apart, marking (T0301)Q79.C as missing WARNING: atoms too close: (T0301)S78.N and (T0301)Q79.C only 0.000 apart, marking (T0301)Q79.C as missing WARNING: atoms too close: (T0301)S77.C and (T0301)Q79.C only 0.000 apart, marking (T0301)Q79.C as missing WARNING: atoms too close: (T0301)S77.O and (T0301)Q79.C only 0.000 apart, marking (T0301)Q79.C as missing WARNING: atoms too close: (T0301)S77.OG and (T0301)Q79.C only 0.000 apart, marking (T0301)Q79.C as missing WARNING: atoms too close: (T0301)S77.CB and (T0301)Q79.C only 0.000 apart, marking (T0301)Q79.C as missing WARNING: atoms too close: (T0301)S77.CA and (T0301)Q79.C only 0.000 apart, marking (T0301)Q79.C as missing WARNING: atoms too close: (T0301)S77.N and (T0301)Q79.C only 0.000 apart, marking (T0301)Q79.C as missing WARNING: atoms too close: (T0301)K76.C and (T0301)Q79.C only 0.000 apart, marking (T0301)Q79.C as missing WARNING: atoms too close: (T0301)K76.O and (T0301)Q79.C only 0.000 apart, marking (T0301)Q79.C as missing WARNING: atoms too close: (T0301)K76.NZ and (T0301)Q79.C only 0.000 apart, marking (T0301)Q79.C as missing WARNING: atoms too close: (T0301)K76.CE and (T0301)Q79.C only 0.000 apart, marking (T0301)Q79.C as missing WARNING: atoms too close: (T0301)K76.CD and (T0301)Q79.C only 0.000 apart, marking (T0301)Q79.C as missing WARNING: atoms too close: (T0301)K76.CG and (T0301)Q79.C only 0.000 apart, marking (T0301)Q79.C as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)Q79.C only 0.000 apart, marking (T0301)Q79.C as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)Q79.C only 0.000 apart, marking (T0301)Q79.C as missing WARNING: atoms too close: (T0301)K76.N and (T0301)Q79.C only 0.000 apart, marking (T0301)Q79.C as missing WARNING: atoms too close: (T0301)S75.C and (T0301)Q79.C only 0.000 apart, marking (T0301)Q79.C as missing WARNING: atoms too close: (T0301)Q79.C and (T0301)P80.N only 0.000 apart, marking (T0301)Q79.C as missing WARNING: atoms too close: (T0301)Q79.O and (T0301)P80.N only 0.000 apart, marking (T0301)Q79.O as missing WARNING: atoms too close: (T0301)Q79.NE2 and (T0301)P80.N only 0.000 apart, marking (T0301)Q79.NE2 as missing WARNING: atoms too close: (T0301)Q79.OE1 and (T0301)P80.N only 0.000 apart, marking (T0301)Q79.OE1 as missing WARNING: atoms too close: (T0301)Q79.CD and (T0301)P80.N only 0.000 apart, marking (T0301)Q79.CD as missing WARNING: atoms too close: (T0301)Q79.CG and (T0301)P80.N only 0.000 apart, marking (T0301)Q79.CG as missing WARNING: atoms too close: (T0301)Q79.CB and (T0301)P80.N only 0.000 apart, marking (T0301)Q79.CB as missing WARNING: atoms too close: (T0301)Q79.CA and (T0301)P80.N only 0.000 apart, marking (T0301)Q79.CA as missing WARNING: atoms too close: (T0301)Q79.N and (T0301)P80.N only 0.000 apart, marking (T0301)Q79.N as missing WARNING: atoms too close: (T0301)S78.C and (T0301)P80.N only 0.000 apart, marking (T0301)S78.C as missing WARNING: atoms too close: (T0301)S78.O and (T0301)P80.N only 0.000 apart, marking (T0301)S78.O as missing WARNING: atoms too close: (T0301)S78.OG and (T0301)P80.N only 0.000 apart, marking (T0301)S78.OG as missing WARNING: atoms too close: (T0301)S78.CB and (T0301)P80.N only 0.000 apart, marking (T0301)S78.CB as missing WARNING: atoms too close: (T0301)S78.CA and (T0301)P80.N only 0.000 apart, marking (T0301)S78.CA as missing WARNING: atoms too close: (T0301)S78.N and (T0301)P80.N only 0.000 apart, marking (T0301)S78.N as missing WARNING: atoms too close: (T0301)S77.C and (T0301)P80.N only 0.000 apart, marking (T0301)S77.C as missing WARNING: atoms too close: (T0301)S77.O and (T0301)P80.N only 0.000 apart, marking (T0301)S77.O as missing WARNING: atoms too close: (T0301)S77.OG and (T0301)P80.N only 0.000 apart, marking (T0301)S77.OG as missing WARNING: atoms too close: (T0301)S77.CB and (T0301)P80.N only 0.000 apart, marking (T0301)S77.CB as missing WARNING: atoms too close: (T0301)S77.CA and (T0301)P80.N only 0.000 apart, marking (T0301)S77.CA as missing WARNING: atoms too close: (T0301)S77.N and (T0301)P80.N only 0.000 apart, marking (T0301)S77.N as missing WARNING: atoms too close: (T0301)K76.C and (T0301)P80.N only 0.000 apart, marking (T0301)K76.C as missing WARNING: atoms too close: (T0301)K76.O and (T0301)P80.N only 0.000 apart, marking (T0301)K76.O as missing WARNING: atoms too close: (T0301)K76.NZ and (T0301)P80.N only 0.000 apart, marking (T0301)K76.NZ as missing WARNING: atoms too close: (T0301)K76.CE and (T0301)P80.N only 0.000 apart, marking (T0301)K76.CE as missing WARNING: atoms too close: (T0301)K76.CD and (T0301)P80.N only 0.000 apart, marking (T0301)K76.CD as missing WARNING: atoms too close: (T0301)K76.CG and (T0301)P80.N only 0.000 apart, marking (T0301)K76.CG as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)P80.N only 0.000 apart, marking (T0301)K76.CB as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)P80.N only 0.000 apart, marking (T0301)K76.CA as missing WARNING: atoms too close: (T0301)K76.N and (T0301)P80.N only 0.000 apart, marking (T0301)K76.N as missing WARNING: atoms too close: (T0301)S75.C and (T0301)P80.N only 0.000 apart, marking (T0301)P80.N as missing WARNING: atoms too close: (T0301)P80.N and (T0301)P80.CA only 0.000 apart, marking (T0301)P80.CA as missing WARNING: atoms too close: (T0301)Q79.C and (T0301)P80.CA only 0.000 apart, marking (T0301)P80.CA as missing WARNING: atoms too close: (T0301)Q79.O and (T0301)P80.CA only 0.000 apart, marking (T0301)P80.CA as missing WARNING: atoms too close: (T0301)Q79.NE2 and (T0301)P80.CA only 0.000 apart, marking (T0301)P80.CA as missing WARNING: atoms too close: (T0301)Q79.OE1 and (T0301)P80.CA only 0.000 apart, marking (T0301)P80.CA as missing WARNING: atoms too close: (T0301)Q79.CD and (T0301)P80.CA only 0.000 apart, marking (T0301)P80.CA as missing WARNING: atoms too close: (T0301)Q79.CG and (T0301)P80.CA only 0.000 apart, marking (T0301)P80.CA as missing WARNING: atoms too close: (T0301)Q79.CB and (T0301)P80.CA only 0.000 apart, marking (T0301)P80.CA as missing WARNING: atoms too close: (T0301)Q79.CA and (T0301)P80.CA only 0.000 apart, marking (T0301)P80.CA as missing WARNING: atoms too close: (T0301)Q79.N and (T0301)P80.CA only 0.000 apart, marking (T0301)P80.CA as missing WARNING: atoms too close: (T0301)S78.C and (T0301)P80.CA only 0.000 apart, marking (T0301)P80.CA as missing WARNING: atoms too close: (T0301)S78.O and (T0301)P80.CA only 0.000 apart, marking (T0301)P80.CA as missing WARNING: atoms too close: (T0301)S78.OG and (T0301)P80.CA only 0.000 apart, marking (T0301)P80.CA as missing WARNING: atoms too close: (T0301)S78.CB and (T0301)P80.CA only 0.000 apart, marking (T0301)P80.CA as missing WARNING: atoms too close: (T0301)S78.CA and (T0301)P80.CA only 0.000 apart, marking (T0301)P80.CA as missing WARNING: atoms too close: (T0301)S78.N and (T0301)P80.CA only 0.000 apart, marking (T0301)P80.CA as missing WARNING: atoms too close: (T0301)S77.C and (T0301)P80.CA only 0.000 apart, marking (T0301)P80.CA as missing WARNING: atoms too close: (T0301)S77.O and (T0301)P80.CA only 0.000 apart, marking (T0301)P80.CA as missing WARNING: atoms too close: (T0301)S77.OG and (T0301)P80.CA only 0.000 apart, marking (T0301)P80.CA as missing WARNING: atoms too close: (T0301)S77.CB and (T0301)P80.CA only 0.000 apart, marking (T0301)P80.CA as missing WARNING: atoms too close: (T0301)S77.CA and (T0301)P80.CA only 0.000 apart, marking (T0301)P80.CA as missing WARNING: atoms too close: (T0301)S77.N and (T0301)P80.CA only 0.000 apart, marking (T0301)P80.CA as missing WARNING: atoms too close: (T0301)K76.C and (T0301)P80.CA only 0.000 apart, marking (T0301)P80.CA as missing WARNING: atoms too close: (T0301)K76.O and (T0301)P80.CA only 0.000 apart, marking (T0301)P80.CA as missing WARNING: atoms too close: (T0301)K76.NZ and (T0301)P80.CA only 0.000 apart, marking (T0301)P80.CA as missing WARNING: atoms too close: (T0301)K76.CE and (T0301)P80.CA only 0.000 apart, marking (T0301)P80.CA as missing WARNING: atoms too close: (T0301)K76.CD and (T0301)P80.CA only 0.000 apart, marking (T0301)P80.CA as missing WARNING: atoms too close: (T0301)K76.CG and (T0301)P80.CA only 0.000 apart, marking (T0301)P80.CA as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)P80.CA only 0.000 apart, marking (T0301)P80.CA as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)P80.CA only 0.000 apart, marking (T0301)P80.CA as missing WARNING: atoms too close: (T0301)K76.N and (T0301)P80.CA only 0.000 apart, marking (T0301)P80.CA as missing WARNING: atoms too close: (T0301)S75.C and (T0301)P80.CA only 0.000 apart, marking (T0301)P80.CA as missing WARNING: atoms too close: (T0301)P80.CA and (T0301)P80.CB only 0.000 apart, marking (T0301)P80.CB as missing WARNING: atoms too close: (T0301)P80.N and (T0301)P80.CB only 0.000 apart, marking (T0301)P80.CB as missing WARNING: atoms too close: (T0301)Q79.C and (T0301)P80.CB only 0.000 apart, marking (T0301)P80.CB as missing WARNING: atoms too close: (T0301)Q79.O and (T0301)P80.CB only 0.000 apart, marking (T0301)P80.CB as missing WARNING: atoms too close: (T0301)Q79.NE2 and (T0301)P80.CB only 0.000 apart, marking (T0301)P80.CB as missing WARNING: atoms too close: (T0301)Q79.OE1 and (T0301)P80.CB only 0.000 apart, marking (T0301)P80.CB as missing WARNING: atoms too close: (T0301)Q79.CD and (T0301)P80.CB only 0.000 apart, marking (T0301)P80.CB as missing WARNING: atoms too close: (T0301)Q79.CG and (T0301)P80.CB only 0.000 apart, marking (T0301)P80.CB as missing WARNING: atoms too close: (T0301)Q79.CB and (T0301)P80.CB only 0.000 apart, marking (T0301)P80.CB as missing WARNING: atoms too close: (T0301)Q79.CA and (T0301)P80.CB only 0.000 apart, marking (T0301)P80.CB as missing WARNING: atoms too close: (T0301)Q79.N and (T0301)P80.CB only 0.000 apart, marking (T0301)P80.CB as missing WARNING: atoms too close: (T0301)S78.C and (T0301)P80.CB only 0.000 apart, marking (T0301)P80.CB as missing WARNING: atoms too close: (T0301)S78.O and (T0301)P80.CB only 0.000 apart, marking (T0301)P80.CB as missing WARNING: atoms too close: (T0301)S78.OG and (T0301)P80.CB only 0.000 apart, marking (T0301)P80.CB as missing WARNING: atoms too close: (T0301)S78.CB and (T0301)P80.CB only 0.000 apart, marking (T0301)P80.CB as missing WARNING: atoms too close: (T0301)S78.CA and (T0301)P80.CB only 0.000 apart, marking (T0301)P80.CB as missing WARNING: atoms too close: (T0301)S78.N and (T0301)P80.CB only 0.000 apart, marking (T0301)P80.CB as missing WARNING: atoms too close: (T0301)S77.C and (T0301)P80.CB only 0.000 apart, marking (T0301)P80.CB as missing WARNING: atoms too close: (T0301)S77.O and (T0301)P80.CB only 0.000 apart, marking (T0301)P80.CB as missing WARNING: atoms too close: (T0301)S77.OG and (T0301)P80.CB only 0.000 apart, marking (T0301)P80.CB as missing WARNING: atoms too close: (T0301)S77.CB and (T0301)P80.CB only 0.000 apart, marking (T0301)P80.CB as missing WARNING: atoms too close: (T0301)S77.CA and (T0301)P80.CB only 0.000 apart, marking (T0301)P80.CB as missing WARNING: atoms too close: (T0301)S77.N and (T0301)P80.CB only 0.000 apart, marking (T0301)P80.CB as missing WARNING: atoms too close: (T0301)K76.C and (T0301)P80.CB only 0.000 apart, marking (T0301)P80.CB as missing WARNING: atoms too close: (T0301)K76.O and (T0301)P80.CB only 0.000 apart, marking (T0301)P80.CB as missing WARNING: atoms too close: (T0301)K76.NZ and (T0301)P80.CB only 0.000 apart, marking (T0301)P80.CB as missing WARNING: atoms too close: (T0301)K76.CE and (T0301)P80.CB only 0.000 apart, marking (T0301)P80.CB as missing WARNING: atoms too close: (T0301)K76.CD and (T0301)P80.CB only 0.000 apart, marking (T0301)P80.CB as missing WARNING: atoms too close: (T0301)K76.CG and (T0301)P80.CB only 0.000 apart, marking (T0301)P80.CB as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)P80.CB only 0.000 apart, marking (T0301)P80.CB as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)P80.CB only 0.000 apart, marking (T0301)P80.CB as missing WARNING: atoms too close: (T0301)K76.N and (T0301)P80.CB only 0.000 apart, marking (T0301)P80.CB as missing WARNING: atoms too close: (T0301)S75.C and (T0301)P80.CB only 0.000 apart, marking (T0301)P80.CB as missing WARNING: atoms too close: (T0301)P80.CB and (T0301)P80.CG only 0.000 apart, marking (T0301)P80.CG as missing WARNING: atoms too close: (T0301)P80.CA and (T0301)P80.CG only 0.000 apart, marking (T0301)P80.CG as missing WARNING: atoms too close: (T0301)P80.N and (T0301)P80.CG only 0.000 apart, marking (T0301)P80.CG as missing WARNING: atoms too close: (T0301)Q79.C and (T0301)P80.CG only 0.000 apart, marking (T0301)P80.CG as missing WARNING: atoms too close: (T0301)Q79.O and (T0301)P80.CG only 0.000 apart, marking (T0301)P80.CG as missing WARNING: atoms too close: (T0301)Q79.NE2 and (T0301)P80.CG only 0.000 apart, marking (T0301)P80.CG as missing WARNING: atoms too close: (T0301)Q79.OE1 and (T0301)P80.CG only 0.000 apart, marking (T0301)P80.CG as missing WARNING: atoms too close: (T0301)Q79.CD and (T0301)P80.CG only 0.000 apart, marking (T0301)P80.CG as missing WARNING: atoms too close: (T0301)Q79.CG and (T0301)P80.CG only 0.000 apart, marking (T0301)P80.CG as missing WARNING: atoms too close: (T0301)Q79.CB and (T0301)P80.CG only 0.000 apart, marking (T0301)P80.CG as missing WARNING: atoms too close: (T0301)Q79.CA and (T0301)P80.CG only 0.000 apart, marking (T0301)P80.CG as missing WARNING: atoms too close: (T0301)Q79.N and (T0301)P80.CG only 0.000 apart, marking (T0301)P80.CG as missing WARNING: atoms too close: (T0301)S78.C and (T0301)P80.CG only 0.000 apart, marking (T0301)P80.CG as missing WARNING: atoms too close: (T0301)S78.O and (T0301)P80.CG only 0.000 apart, marking (T0301)P80.CG as missing WARNING: atoms too close: (T0301)S78.OG and (T0301)P80.CG only 0.000 apart, marking (T0301)P80.CG as missing WARNING: atoms too close: (T0301)S78.CB and (T0301)P80.CG only 0.000 apart, marking (T0301)P80.CG as missing WARNING: atoms too close: (T0301)S78.CA and (T0301)P80.CG only 0.000 apart, marking (T0301)P80.CG as missing WARNING: atoms too close: (T0301)S78.N and (T0301)P80.CG only 0.000 apart, marking (T0301)P80.CG as missing WARNING: atoms too close: (T0301)S77.C and (T0301)P80.CG only 0.000 apart, marking (T0301)P80.CG as missing WARNING: atoms too close: (T0301)S77.O and (T0301)P80.CG only 0.000 apart, marking (T0301)P80.CG as missing WARNING: atoms too close: (T0301)S77.OG and (T0301)P80.CG only 0.000 apart, marking (T0301)P80.CG as missing WARNING: atoms too close: (T0301)S77.CB and (T0301)P80.CG only 0.000 apart, marking (T0301)P80.CG as missing WARNING: atoms too close: (T0301)S77.CA and (T0301)P80.CG only 0.000 apart, marking (T0301)P80.CG as missing WARNING: atoms too close: (T0301)S77.N and (T0301)P80.CG only 0.000 apart, marking (T0301)P80.CG as missing WARNING: atoms too close: (T0301)K76.C and (T0301)P80.CG only 0.000 apart, marking (T0301)P80.CG as missing WARNING: atoms too close: (T0301)K76.O and (T0301)P80.CG only 0.000 apart, marking (T0301)P80.CG as missing WARNING: atoms too close: (T0301)K76.NZ and (T0301)P80.CG only 0.000 apart, marking (T0301)P80.CG as missing WARNING: atoms too close: (T0301)K76.CE and (T0301)P80.CG only 0.000 apart, marking (T0301)P80.CG as missing WARNING: atoms too close: (T0301)K76.CD and (T0301)P80.CG only 0.000 apart, marking (T0301)P80.CG as missing WARNING: atoms too close: (T0301)K76.CG and (T0301)P80.CG only 0.000 apart, marking (T0301)P80.CG as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)P80.CG only 0.000 apart, marking (T0301)P80.CG as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)P80.CG only 0.000 apart, marking (T0301)P80.CG as missing WARNING: atoms too close: (T0301)K76.N and (T0301)P80.CG only 0.000 apart, marking (T0301)P80.CG as missing WARNING: atoms too close: (T0301)S75.C and (T0301)P80.CG only 0.000 apart, marking (T0301)P80.CG as missing WARNING: atoms too close: (T0301)P80.CG and (T0301)P80.CD only 0.000 apart, marking (T0301)P80.CD as missing WARNING: atoms too close: (T0301)P80.CB and (T0301)P80.CD only 0.000 apart, marking (T0301)P80.CD as missing WARNING: atoms too close: (T0301)P80.CA and (T0301)P80.CD only 0.000 apart, marking (T0301)P80.CD as missing WARNING: atoms too close: (T0301)P80.N and (T0301)P80.CD only 0.000 apart, marking (T0301)P80.CD as missing WARNING: atoms too close: (T0301)Q79.C and (T0301)P80.CD only 0.000 apart, marking (T0301)P80.CD as missing WARNING: atoms too close: (T0301)Q79.O and (T0301)P80.CD only 0.000 apart, marking (T0301)P80.CD as missing WARNING: atoms too close: (T0301)Q79.NE2 and (T0301)P80.CD only 0.000 apart, marking (T0301)P80.CD as missing WARNING: atoms too close: (T0301)Q79.OE1 and (T0301)P80.CD only 0.000 apart, marking (T0301)P80.CD as missing WARNING: atoms too close: (T0301)Q79.CD and (T0301)P80.CD only 0.000 apart, marking (T0301)P80.CD as missing WARNING: atoms too close: (T0301)Q79.CG and (T0301)P80.CD only 0.000 apart, marking (T0301)P80.CD as missing WARNING: atoms too close: (T0301)Q79.CB and (T0301)P80.CD only 0.000 apart, marking (T0301)P80.CD as missing WARNING: atoms too close: (T0301)Q79.CA and (T0301)P80.CD only 0.000 apart, marking (T0301)P80.CD as missing WARNING: atoms too close: (T0301)Q79.N and (T0301)P80.CD only 0.000 apart, marking (T0301)P80.CD as missing WARNING: atoms too close: (T0301)S78.C and (T0301)P80.CD only 0.000 apart, marking (T0301)P80.CD as missing WARNING: atoms too close: (T0301)S78.O and (T0301)P80.CD only 0.000 apart, marking (T0301)P80.CD as missing WARNING: atoms too close: (T0301)S78.OG and (T0301)P80.CD only 0.000 apart, marking (T0301)P80.CD as missing WARNING: atoms too close: (T0301)S78.CB and (T0301)P80.CD only 0.000 apart, marking (T0301)P80.CD as missing WARNING: atoms too close: (T0301)S78.CA and (T0301)P80.CD only 0.000 apart, marking (T0301)P80.CD as missing WARNING: atoms too close: (T0301)S78.N and (T0301)P80.CD only 0.000 apart, marking (T0301)P80.CD as missing WARNING: atoms too close: (T0301)S77.C and (T0301)P80.CD only 0.000 apart, marking (T0301)P80.CD as missing WARNING: atoms too close: (T0301)S77.O and (T0301)P80.CD only 0.000 apart, marking (T0301)P80.CD as missing WARNING: atoms too close: (T0301)S77.OG and (T0301)P80.CD only 0.000 apart, marking (T0301)P80.CD as missing WARNING: atoms too close: (T0301)S77.CB and (T0301)P80.CD only 0.000 apart, marking (T0301)P80.CD as missing WARNING: atoms too close: (T0301)S77.CA and (T0301)P80.CD only 0.000 apart, marking (T0301)P80.CD as missing WARNING: atoms too close: (T0301)S77.N and (T0301)P80.CD only 0.000 apart, marking (T0301)P80.CD as missing WARNING: atoms too close: (T0301)K76.C and (T0301)P80.CD only 0.000 apart, marking (T0301)P80.CD as missing WARNING: atoms too close: (T0301)K76.O and (T0301)P80.CD only 0.000 apart, marking (T0301)P80.CD as missing WARNING: atoms too close: (T0301)K76.NZ and (T0301)P80.CD only 0.000 apart, marking (T0301)P80.CD as missing WARNING: atoms too close: (T0301)K76.CE and (T0301)P80.CD only 0.000 apart, marking (T0301)P80.CD as missing WARNING: atoms too close: (T0301)K76.CD and (T0301)P80.CD only 0.000 apart, marking (T0301)P80.CD as missing WARNING: atoms too close: (T0301)K76.CG and (T0301)P80.CD only 0.000 apart, marking (T0301)P80.CD as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)P80.CD only 0.000 apart, marking (T0301)P80.CD as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)P80.CD only 0.000 apart, marking (T0301)P80.CD as missing WARNING: atoms too close: (T0301)K76.N and (T0301)P80.CD only 0.000 apart, marking (T0301)P80.CD as missing WARNING: atoms too close: (T0301)S75.C and (T0301)P80.CD only 0.000 apart, marking (T0301)P80.CD as missing WARNING: atoms too close: (T0301)P80.CD and (T0301)P80.O only 0.000 apart, marking (T0301)P80.O as missing WARNING: atoms too close: (T0301)P80.CG and (T0301)P80.O only 0.000 apart, marking (T0301)P80.O as missing WARNING: atoms too close: (T0301)P80.CB and (T0301)P80.O only 0.000 apart, marking (T0301)P80.O as missing WARNING: atoms too close: (T0301)P80.CA and (T0301)P80.O only 0.000 apart, marking (T0301)P80.O as missing WARNING: atoms too close: (T0301)P80.N and (T0301)P80.O only 0.000 apart, marking (T0301)P80.O as missing WARNING: atoms too close: (T0301)Q79.C and (T0301)P80.O only 0.000 apart, marking (T0301)P80.O as missing WARNING: atoms too close: (T0301)Q79.O and (T0301)P80.O only 0.000 apart, marking (T0301)P80.O as missing WARNING: atoms too close: (T0301)Q79.NE2 and (T0301)P80.O only 0.000 apart, marking (T0301)P80.O as missing WARNING: atoms too close: (T0301)Q79.OE1 and (T0301)P80.O only 0.000 apart, marking (T0301)P80.O as missing WARNING: atoms too close: (T0301)Q79.CD and (T0301)P80.O only 0.000 apart, marking (T0301)P80.O as missing WARNING: atoms too close: (T0301)Q79.CG and (T0301)P80.O only 0.000 apart, marking (T0301)P80.O as missing WARNING: atoms too close: (T0301)Q79.CB and (T0301)P80.O only 0.000 apart, marking (T0301)P80.O as missing WARNING: atoms too close: (T0301)Q79.CA and (T0301)P80.O only 0.000 apart, marking (T0301)P80.O as missing WARNING: atoms too close: (T0301)Q79.N and (T0301)P80.O only 0.000 apart, marking (T0301)P80.O as missing WARNING: atoms too close: (T0301)S78.C and (T0301)P80.O only 0.000 apart, marking (T0301)P80.O as missing WARNING: atoms too close: (T0301)S78.O and (T0301)P80.O only 0.000 apart, marking (T0301)P80.O as missing WARNING: atoms too close: (T0301)S78.OG and (T0301)P80.O only 0.000 apart, marking (T0301)P80.O as missing WARNING: atoms too close: (T0301)S78.CB and (T0301)P80.O only 0.000 apart, marking (T0301)P80.O as missing WARNING: atoms too close: (T0301)S78.CA and (T0301)P80.O only 0.000 apart, marking (T0301)P80.O as missing WARNING: atoms too close: (T0301)S78.N and (T0301)P80.O only 0.000 apart, marking (T0301)P80.O as missing WARNING: atoms too close: (T0301)S77.C and (T0301)P80.O only 0.000 apart, marking (T0301)P80.O as missing WARNING: atoms too close: (T0301)S77.O and (T0301)P80.O only 0.000 apart, marking (T0301)P80.O as missing WARNING: atoms too close: (T0301)S77.OG and (T0301)P80.O only 0.000 apart, marking (T0301)P80.O as missing WARNING: atoms too close: (T0301)S77.CB and (T0301)P80.O only 0.000 apart, marking (T0301)P80.O as missing WARNING: atoms too close: (T0301)S77.CA and (T0301)P80.O only 0.000 apart, marking (T0301)P80.O as missing WARNING: atoms too close: (T0301)S77.N and (T0301)P80.O only 0.000 apart, marking (T0301)P80.O as missing WARNING: atoms too close: (T0301)K76.C and (T0301)P80.O only 0.000 apart, marking (T0301)P80.O as missing WARNING: atoms too close: (T0301)K76.O and (T0301)P80.O only 0.000 apart, marking (T0301)P80.O as missing WARNING: atoms too close: (T0301)K76.NZ and (T0301)P80.O only 0.000 apart, marking (T0301)P80.O as missing WARNING: atoms too close: (T0301)K76.CE and (T0301)P80.O only 0.000 apart, marking (T0301)P80.O as missing WARNING: atoms too close: (T0301)K76.CD and (T0301)P80.O only 0.000 apart, marking (T0301)P80.O as missing WARNING: atoms too close: (T0301)K76.CG and (T0301)P80.O only 0.000 apart, marking (T0301)P80.O as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)P80.O only 0.000 apart, marking (T0301)P80.O as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)P80.O only 0.000 apart, marking (T0301)P80.O as missing WARNING: atoms too close: (T0301)K76.N and (T0301)P80.O only 0.000 apart, marking (T0301)P80.O as missing WARNING: atoms too close: (T0301)S75.C and (T0301)P80.O only 0.000 apart, marking (T0301)P80.O as missing WARNING: atoms too close: (T0301)P80.O and (T0301)P80.C only 0.000 apart, marking (T0301)P80.C as missing WARNING: atoms too close: (T0301)P80.CD and (T0301)P80.C only 0.000 apart, marking (T0301)P80.C as missing WARNING: atoms too close: (T0301)P80.CG and (T0301)P80.C only 0.000 apart, marking (T0301)P80.C as missing WARNING: atoms too close: (T0301)P80.CB and (T0301)P80.C only 0.000 apart, marking (T0301)P80.C as missing WARNING: atoms too close: (T0301)P80.CA and (T0301)P80.C only 0.000 apart, marking (T0301)P80.C as missing WARNING: atoms too close: (T0301)P80.N and (T0301)P80.C only 0.000 apart, marking (T0301)P80.C as missing WARNING: atoms too close: (T0301)Q79.C and (T0301)P80.C only 0.000 apart, marking (T0301)P80.C as missing WARNING: atoms too close: (T0301)Q79.O and (T0301)P80.C only 0.000 apart, marking (T0301)P80.C as missing WARNING: atoms too close: (T0301)Q79.NE2 and (T0301)P80.C only 0.000 apart, marking (T0301)P80.C as missing WARNING: atoms too close: (T0301)Q79.OE1 and (T0301)P80.C only 0.000 apart, marking (T0301)P80.C as missing WARNING: atoms too close: (T0301)Q79.CD and (T0301)P80.C only 0.000 apart, marking (T0301)P80.C as missing WARNING: atoms too close: (T0301)Q79.CG and (T0301)P80.C only 0.000 apart, marking (T0301)P80.C as missing WARNING: atoms too close: (T0301)Q79.CB and (T0301)P80.C only 0.000 apart, marking (T0301)P80.C as missing WARNING: atoms too close: (T0301)Q79.CA and (T0301)P80.C only 0.000 apart, marking (T0301)P80.C as missing WARNING: atoms too close: (T0301)Q79.N and (T0301)P80.C only 0.000 apart, marking (T0301)P80.C as missing WARNING: atoms too close: (T0301)S78.C and (T0301)P80.C only 0.000 apart, marking (T0301)P80.C as missing WARNING: atoms too close: (T0301)S78.O and (T0301)P80.C only 0.000 apart, marking (T0301)P80.C as missing WARNING: atoms too close: (T0301)S78.OG and (T0301)P80.C only 0.000 apart, marking (T0301)P80.C as missing WARNING: atoms too close: (T0301)S78.CB and (T0301)P80.C only 0.000 apart, marking (T0301)P80.C as missing WARNING: atoms too close: (T0301)S78.CA and (T0301)P80.C only 0.000 apart, marking (T0301)P80.C as missing WARNING: atoms too close: (T0301)S78.N and (T0301)P80.C only 0.000 apart, marking (T0301)P80.C as missing WARNING: atoms too close: (T0301)S77.C and (T0301)P80.C only 0.000 apart, marking (T0301)P80.C as missing WARNING: atoms too close: (T0301)S77.O and (T0301)P80.C only 0.000 apart, marking (T0301)P80.C as missing WARNING: atoms too close: (T0301)S77.OG and (T0301)P80.C only 0.000 apart, marking (T0301)P80.C as missing WARNING: atoms too close: (T0301)S77.CB and (T0301)P80.C only 0.000 apart, marking (T0301)P80.C as missing WARNING: atoms too close: (T0301)S77.CA and (T0301)P80.C only 0.000 apart, marking (T0301)P80.C as missing WARNING: atoms too close: (T0301)S77.N and (T0301)P80.C only 0.000 apart, marking (T0301)P80.C as missing WARNING: atoms too close: (T0301)K76.C and (T0301)P80.C only 0.000 apart, marking (T0301)P80.C as missing WARNING: atoms too close: (T0301)K76.O and (T0301)P80.C only 0.000 apart, marking (T0301)P80.C as missing WARNING: atoms too close: (T0301)K76.NZ and (T0301)P80.C only 0.000 apart, marking (T0301)P80.C as missing WARNING: atoms too close: (T0301)K76.CE and (T0301)P80.C only 0.000 apart, marking (T0301)P80.C as missing WARNING: atoms too close: (T0301)K76.CD and (T0301)P80.C only 0.000 apart, marking (T0301)P80.C as missing WARNING: atoms too close: (T0301)K76.CG and (T0301)P80.C only 0.000 apart, marking (T0301)P80.C as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)P80.C only 0.000 apart, marking (T0301)P80.C as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)P80.C only 0.000 apart, marking (T0301)P80.C as missing WARNING: atoms too close: (T0301)K76.N and (T0301)P80.C only 0.000 apart, marking (T0301)P80.C as missing WARNING: atoms too close: (T0301)S75.C and (T0301)P80.C only 0.000 apart, marking (T0301)P80.C as missing WARNING: atoms too close: (T0301)P80.C and (T0301)G81.N only 0.000 apart, marking (T0301)P80.C as missing WARNING: atoms too close: (T0301)P80.O and (T0301)G81.N only 0.000 apart, marking (T0301)P80.O as missing WARNING: atoms too close: (T0301)P80.CD and (T0301)G81.N only 0.000 apart, marking (T0301)P80.CD as missing WARNING: atoms too close: (T0301)P80.CG and (T0301)G81.N only 0.000 apart, marking (T0301)P80.CG as missing WARNING: atoms too close: (T0301)P80.CB and (T0301)G81.N only 0.000 apart, marking (T0301)P80.CB as missing WARNING: atoms too close: (T0301)P80.CA and (T0301)G81.N only 0.000 apart, marking (T0301)P80.CA as missing WARNING: atoms too close: (T0301)P80.N and (T0301)G81.N only 0.000 apart, marking (T0301)P80.N as missing WARNING: atoms too close: (T0301)Q79.C and (T0301)G81.N only 0.000 apart, marking (T0301)Q79.C as missing WARNING: atoms too close: (T0301)Q79.O and (T0301)G81.N only 0.000 apart, marking (T0301)Q79.O as missing WARNING: atoms too close: (T0301)Q79.NE2 and (T0301)G81.N only 0.000 apart, marking (T0301)Q79.NE2 as missing WARNING: atoms too close: (T0301)Q79.OE1 and (T0301)G81.N only 0.000 apart, marking (T0301)Q79.OE1 as missing WARNING: atoms too close: (T0301)Q79.CD and (T0301)G81.N only 0.000 apart, marking (T0301)Q79.CD as missing WARNING: atoms too close: (T0301)Q79.CG and (T0301)G81.N only 0.000 apart, marking (T0301)Q79.CG as missing WARNING: atoms too close: (T0301)Q79.CB and (T0301)G81.N only 0.000 apart, marking (T0301)Q79.CB as missing WARNING: atoms too close: (T0301)Q79.CA and (T0301)G81.N only 0.000 apart, marking (T0301)Q79.CA as missing WARNING: atoms too close: (T0301)Q79.N and (T0301)G81.N only 0.000 apart, marking (T0301)Q79.N as missing WARNING: atoms too close: (T0301)S78.C and (T0301)G81.N only 0.000 apart, marking (T0301)S78.C as missing WARNING: atoms too close: (T0301)S78.O and (T0301)G81.N only 0.000 apart, marking (T0301)S78.O as missing WARNING: atoms too close: (T0301)S78.OG and (T0301)G81.N only 0.000 apart, marking (T0301)S78.OG as missing WARNING: atoms too close: (T0301)S78.CB and (T0301)G81.N only 0.000 apart, marking (T0301)S78.CB as missing WARNING: atoms too close: (T0301)S78.CA and (T0301)G81.N only 0.000 apart, marking (T0301)S78.CA as missing WARNING: atoms too close: (T0301)S78.N and (T0301)G81.N only 0.000 apart, marking (T0301)S78.N as missing WARNING: atoms too close: (T0301)S77.C and (T0301)G81.N only 0.000 apart, marking (T0301)S77.C as missing WARNING: atoms too close: (T0301)S77.O and (T0301)G81.N only 0.000 apart, marking (T0301)S77.O as missing WARNING: atoms too close: (T0301)S77.OG and (T0301)G81.N only 0.000 apart, marking (T0301)S77.OG as missing WARNING: atoms too close: (T0301)S77.CB and (T0301)G81.N only 0.000 apart, marking (T0301)S77.CB as missing WARNING: atoms too close: (T0301)S77.CA and (T0301)G81.N only 0.000 apart, marking (T0301)S77.CA as missing WARNING: atoms too close: (T0301)S77.N and (T0301)G81.N only 0.000 apart, marking (T0301)S77.N as missing WARNING: atoms too close: (T0301)K76.C and (T0301)G81.N only 0.000 apart, marking (T0301)K76.C as missing WARNING: atoms too close: (T0301)K76.O and (T0301)G81.N only 0.000 apart, marking (T0301)K76.O as missing WARNING: atoms too close: (T0301)K76.NZ and (T0301)G81.N only 0.000 apart, marking (T0301)K76.NZ as missing WARNING: atoms too close: (T0301)K76.CE and (T0301)G81.N only 0.000 apart, marking (T0301)K76.CE as missing WARNING: atoms too close: (T0301)K76.CD and (T0301)G81.N only 0.000 apart, marking (T0301)K76.CD as missing WARNING: atoms too close: (T0301)K76.CG and (T0301)G81.N only 0.000 apart, marking (T0301)K76.CG as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)G81.N only 0.000 apart, marking (T0301)K76.CB as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)G81.N only 0.000 apart, marking (T0301)K76.CA as missing WARNING: atoms too close: (T0301)K76.N and (T0301)G81.N only 0.000 apart, marking (T0301)K76.N as missing WARNING: atoms too close: (T0301)S75.C and (T0301)G81.N only 0.000 apart, marking (T0301)G81.N as missing WARNING: atoms too close: (T0301)G81.N and (T0301)G81.CA only 0.000 apart, marking (T0301)G81.CA as missing WARNING: atoms too close: (T0301)P80.C and (T0301)G81.CA only 0.000 apart, marking (T0301)G81.CA as missing WARNING: atoms too close: (T0301)P80.O and (T0301)G81.CA only 0.000 apart, marking (T0301)G81.CA as missing WARNING: atoms too close: (T0301)P80.CD and (T0301)G81.CA only 0.000 apart, marking (T0301)G81.CA as missing WARNING: atoms too close: (T0301)P80.CG and (T0301)G81.CA only 0.000 apart, marking (T0301)G81.CA as missing WARNING: atoms too close: (T0301)P80.CB and (T0301)G81.CA only 0.000 apart, marking (T0301)G81.CA as missing WARNING: atoms too close: (T0301)P80.CA and (T0301)G81.CA only 0.000 apart, marking (T0301)G81.CA as missing WARNING: atoms too close: (T0301)P80.N and (T0301)G81.CA only 0.000 apart, marking (T0301)G81.CA as missing WARNING: atoms too close: (T0301)Q79.C and (T0301)G81.CA only 0.000 apart, marking (T0301)G81.CA as missing WARNING: atoms too close: (T0301)Q79.O and (T0301)G81.CA only 0.000 apart, marking (T0301)G81.CA as missing WARNING: atoms too close: (T0301)Q79.NE2 and (T0301)G81.CA only 0.000 apart, marking (T0301)G81.CA as missing WARNING: atoms too close: (T0301)Q79.OE1 and (T0301)G81.CA only 0.000 apart, marking (T0301)G81.CA as missing WARNING: atoms too close: (T0301)Q79.CD and (T0301)G81.CA only 0.000 apart, marking (T0301)G81.CA as missing WARNING: atoms too close: (T0301)Q79.CG and (T0301)G81.CA only 0.000 apart, marking (T0301)G81.CA as missing WARNING: atoms too close: (T0301)Q79.CB and (T0301)G81.CA only 0.000 apart, marking (T0301)G81.CA as missing WARNING: atoms too close: (T0301)Q79.CA and (T0301)G81.CA only 0.000 apart, marking (T0301)G81.CA as missing WARNING: atoms too close: (T0301)Q79.N and (T0301)G81.CA only 0.000 apart, marking (T0301)G81.CA as missing WARNING: atoms too close: (T0301)S78.C and (T0301)G81.CA only 0.000 apart, marking (T0301)G81.CA as missing WARNING: atoms too close: (T0301)S78.O and (T0301)G81.CA only 0.000 apart, marking (T0301)G81.CA as missing WARNING: atoms too close: (T0301)S78.OG and (T0301)G81.CA only 0.000 apart, marking (T0301)G81.CA as missing WARNING: atoms too close: (T0301)S78.CB and (T0301)G81.CA only 0.000 apart, marking (T0301)G81.CA as missing WARNING: atoms too close: (T0301)S78.CA and (T0301)G81.CA only 0.000 apart, marking (T0301)G81.CA as missing WARNING: atoms too close: (T0301)S78.N and (T0301)G81.CA only 0.000 apart, marking (T0301)G81.CA as missing WARNING: atoms too close: (T0301)S77.C and (T0301)G81.CA only 0.000 apart, marking (T0301)G81.CA as missing WARNING: atoms too close: (T0301)S77.O and (T0301)G81.CA only 0.000 apart, marking (T0301)G81.CA as missing WARNING: atoms too close: (T0301)S77.OG and (T0301)G81.CA only 0.000 apart, marking (T0301)G81.CA as missing WARNING: atoms too close: (T0301)S77.CB and (T0301)G81.CA only 0.000 apart, marking (T0301)G81.CA as missing WARNING: atoms too close: (T0301)S77.CA and (T0301)G81.CA only 0.000 apart, marking (T0301)G81.CA as missing WARNING: atoms too close: (T0301)S77.N and (T0301)G81.CA only 0.000 apart, marking (T0301)G81.CA as missing WARNING: atoms too close: (T0301)K76.C and (T0301)G81.CA only 0.000 apart, marking (T0301)G81.CA as missing WARNING: atoms too close: (T0301)K76.O and (T0301)G81.CA only 0.000 apart, marking (T0301)G81.CA as missing WARNING: atoms too close: (T0301)K76.NZ and (T0301)G81.CA only 0.000 apart, marking (T0301)G81.CA as missing WARNING: atoms too close: (T0301)K76.CE and (T0301)G81.CA only 0.000 apart, marking (T0301)G81.CA as missing WARNING: atoms too close: (T0301)K76.CD and (T0301)G81.CA only 0.000 apart, marking (T0301)G81.CA as missing WARNING: atoms too close: (T0301)K76.CG and (T0301)G81.CA only 0.000 apart, marking (T0301)G81.CA as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)G81.CA only 0.000 apart, marking (T0301)G81.CA as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)G81.CA only 0.000 apart, marking (T0301)G81.CA as missing WARNING: atoms too close: (T0301)K76.N and (T0301)G81.CA only 0.000 apart, marking (T0301)G81.CA as missing WARNING: atoms too close: (T0301)S75.C and (T0301)G81.CA only 0.000 apart, marking (T0301)G81.CA as missing WARNING: atoms too close: (T0301)G81.CA and (T0301)G81.O only 0.000 apart, marking (T0301)G81.O as missing WARNING: atoms too close: (T0301)G81.N and (T0301)G81.O only 0.000 apart, marking (T0301)G81.O as missing WARNING: atoms too close: (T0301)P80.C and (T0301)G81.O only 0.000 apart, marking (T0301)G81.O as missing WARNING: atoms too close: (T0301)P80.O and (T0301)G81.O only 0.000 apart, marking (T0301)G81.O as missing WARNING: atoms too close: (T0301)P80.CD and (T0301)G81.O only 0.000 apart, marking (T0301)G81.O as missing WARNING: atoms too close: (T0301)P80.CG and (T0301)G81.O only 0.000 apart, marking (T0301)G81.O as missing WARNING: atoms too close: (T0301)P80.CB and (T0301)G81.O only 0.000 apart, marking (T0301)G81.O as missing WARNING: atoms too close: (T0301)P80.CA and (T0301)G81.O only 0.000 apart, marking (T0301)G81.O as missing WARNING: atoms too close: (T0301)P80.N and (T0301)G81.O only 0.000 apart, marking (T0301)G81.O as missing WARNING: atoms too close: (T0301)Q79.C and (T0301)G81.O only 0.000 apart, marking (T0301)G81.O as missing WARNING: atoms too close: (T0301)Q79.O and (T0301)G81.O only 0.000 apart, marking (T0301)G81.O as missing WARNING: atoms too close: (T0301)Q79.NE2 and (T0301)G81.O only 0.000 apart, marking (T0301)G81.O as missing WARNING: atoms too close: (T0301)Q79.OE1 and (T0301)G81.O only 0.000 apart, marking (T0301)G81.O as missing WARNING: atoms too close: (T0301)Q79.CD and (T0301)G81.O only 0.000 apart, marking (T0301)G81.O as missing WARNING: atoms too close: (T0301)Q79.CG and (T0301)G81.O only 0.000 apart, marking (T0301)G81.O as missing WARNING: atoms too close: (T0301)Q79.CB and (T0301)G81.O only 0.000 apart, marking (T0301)G81.O as missing WARNING: atoms too close: (T0301)Q79.CA and (T0301)G81.O only 0.000 apart, marking (T0301)G81.O as missing WARNING: atoms too close: (T0301)Q79.N and (T0301)G81.O only 0.000 apart, marking (T0301)G81.O as missing WARNING: atoms too close: (T0301)S78.C and (T0301)G81.O only 0.000 apart, marking (T0301)G81.O as missing WARNING: atoms too close: (T0301)S78.O and (T0301)G81.O only 0.000 apart, marking (T0301)G81.O as missing WARNING: atoms too close: (T0301)S78.OG and (T0301)G81.O only 0.000 apart, marking (T0301)G81.O as missing WARNING: atoms too close: (T0301)S78.CB and (T0301)G81.O only 0.000 apart, marking (T0301)G81.O as missing WARNING: atoms too close: (T0301)S78.CA and (T0301)G81.O only 0.000 apart, marking (T0301)G81.O as missing WARNING: atoms too close: (T0301)S78.N and (T0301)G81.O only 0.000 apart, marking (T0301)G81.O as missing WARNING: atoms too close: (T0301)S77.C and (T0301)G81.O only 0.000 apart, marking (T0301)G81.O as missing WARNING: atoms too close: (T0301)S77.O and (T0301)G81.O only 0.000 apart, marking (T0301)G81.O as missing WARNING: atoms too close: (T0301)S77.OG and (T0301)G81.O only 0.000 apart, marking (T0301)G81.O as missing WARNING: atoms too close: (T0301)S77.CB and (T0301)G81.O only 0.000 apart, marking (T0301)G81.O as missing WARNING: atoms too close: (T0301)S77.CA and (T0301)G81.O only 0.000 apart, marking (T0301)G81.O as missing WARNING: atoms too close: (T0301)S77.N and (T0301)G81.O only 0.000 apart, marking (T0301)G81.O as missing WARNING: atoms too close: (T0301)K76.C and (T0301)G81.O only 0.000 apart, marking (T0301)G81.O as missing WARNING: atoms too close: (T0301)K76.O and (T0301)G81.O only 0.000 apart, marking (T0301)G81.O as missing WARNING: atoms too close: (T0301)K76.NZ and (T0301)G81.O only 0.000 apart, marking (T0301)G81.O as missing WARNING: atoms too close: (T0301)K76.CE and (T0301)G81.O only 0.000 apart, marking (T0301)G81.O as missing WARNING: atoms too close: (T0301)K76.CD and (T0301)G81.O only 0.000 apart, marking (T0301)G81.O as missing WARNING: atoms too close: (T0301)K76.CG and (T0301)G81.O only 0.000 apart, marking (T0301)G81.O as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)G81.O only 0.000 apart, marking (T0301)G81.O as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)G81.O only 0.000 apart, marking (T0301)G81.O as missing WARNING: atoms too close: (T0301)K76.N and (T0301)G81.O only 0.000 apart, marking (T0301)G81.O as missing WARNING: atoms too close: (T0301)S75.C and (T0301)G81.O only 0.000 apart, marking (T0301)G81.O as missing WARNING: atoms too close: (T0301)G81.O and (T0301)G81.C only 0.000 apart, marking (T0301)G81.C as missing WARNING: atoms too close: (T0301)G81.CA and (T0301)G81.C only 0.000 apart, marking (T0301)G81.C as missing WARNING: atoms too close: (T0301)G81.N and (T0301)G81.C only 0.000 apart, marking (T0301)G81.C as missing WARNING: atoms too close: (T0301)P80.C and (T0301)G81.C only 0.000 apart, marking (T0301)G81.C as missing WARNING: atoms too close: (T0301)P80.O and (T0301)G81.C only 0.000 apart, marking (T0301)G81.C as missing WARNING: atoms too close: (T0301)P80.CD and (T0301)G81.C only 0.000 apart, marking (T0301)G81.C as missing WARNING: atoms too close: (T0301)P80.CG and (T0301)G81.C only 0.000 apart, marking (T0301)G81.C as missing WARNING: atoms too close: (T0301)P80.CB and (T0301)G81.C only 0.000 apart, marking (T0301)G81.C as missing WARNING: atoms too close: (T0301)P80.CA and (T0301)G81.C only 0.000 apart, marking (T0301)G81.C as missing WARNING: atoms too close: (T0301)P80.N and (T0301)G81.C only 0.000 apart, marking (T0301)G81.C as missing WARNING: atoms too close: (T0301)Q79.C and (T0301)G81.C only 0.000 apart, marking (T0301)G81.C as missing WARNING: atoms too close: (T0301)Q79.O and (T0301)G81.C only 0.000 apart, marking (T0301)G81.C as missing WARNING: atoms too close: (T0301)Q79.NE2 and (T0301)G81.C only 0.000 apart, marking (T0301)G81.C as missing WARNING: atoms too close: (T0301)Q79.OE1 and (T0301)G81.C only 0.000 apart, marking (T0301)G81.C as missing WARNING: atoms too close: (T0301)Q79.CD and (T0301)G81.C only 0.000 apart, marking (T0301)G81.C as missing WARNING: atoms too close: (T0301)Q79.CG and (T0301)G81.C only 0.000 apart, marking (T0301)G81.C as missing WARNING: atoms too close: (T0301)Q79.CB and (T0301)G81.C only 0.000 apart, marking (T0301)G81.C as missing WARNING: atoms too close: (T0301)Q79.CA and (T0301)G81.C only 0.000 apart, marking (T0301)G81.C as missing WARNING: atoms too close: (T0301)Q79.N and (T0301)G81.C only 0.000 apart, marking (T0301)G81.C as missing WARNING: atoms too close: (T0301)S78.C and (T0301)G81.C only 0.000 apart, marking (T0301)G81.C as missing WARNING: atoms too close: (T0301)S78.O and (T0301)G81.C only 0.000 apart, marking (T0301)G81.C as missing WARNING: atoms too close: (T0301)S78.OG and (T0301)G81.C only 0.000 apart, marking (T0301)G81.C as missing WARNING: atoms too close: (T0301)S78.CB and (T0301)G81.C only 0.000 apart, marking (T0301)G81.C as missing WARNING: atoms too close: (T0301)S78.CA and (T0301)G81.C only 0.000 apart, marking (T0301)G81.C as missing WARNING: atoms too close: (T0301)S78.N and (T0301)G81.C only 0.000 apart, marking (T0301)G81.C as missing WARNING: atoms too close: (T0301)S77.C and (T0301)G81.C only 0.000 apart, marking (T0301)G81.C as missing WARNING: atoms too close: (T0301)S77.O and (T0301)G81.C only 0.000 apart, marking (T0301)G81.C as missing WARNING: atoms too close: (T0301)S77.OG and (T0301)G81.C only 0.000 apart, marking (T0301)G81.C as missing WARNING: atoms too close: (T0301)S77.CB and (T0301)G81.C only 0.000 apart, marking (T0301)G81.C as missing WARNING: atoms too close: (T0301)S77.CA and (T0301)G81.C only 0.000 apart, marking (T0301)G81.C as missing WARNING: atoms too close: (T0301)S77.N and (T0301)G81.C only 0.000 apart, marking (T0301)G81.C as missing WARNING: atoms too close: (T0301)K76.C and (T0301)G81.C only 0.000 apart, marking (T0301)G81.C as missing WARNING: atoms too close: (T0301)K76.O and (T0301)G81.C only 0.000 apart, marking (T0301)G81.C as missing WARNING: atoms too close: (T0301)K76.NZ and (T0301)G81.C only 0.000 apart, marking (T0301)G81.C as missing WARNING: atoms too close: (T0301)K76.CE and (T0301)G81.C only 0.000 apart, marking (T0301)G81.C as missing WARNING: atoms too close: (T0301)K76.CD and (T0301)G81.C only 0.000 apart, marking (T0301)G81.C as missing WARNING: atoms too close: (T0301)K76.CG and (T0301)G81.C only 0.000 apart, marking (T0301)G81.C as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)G81.C only 0.000 apart, marking (T0301)G81.C as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)G81.C only 0.000 apart, marking (T0301)G81.C as missing WARNING: atoms too close: (T0301)K76.N and (T0301)G81.C only 0.000 apart, marking (T0301)G81.C as missing WARNING: atoms too close: (T0301)S75.C and (T0301)G81.C only 0.000 apart, marking (T0301)G81.C as missing WARNING: atoms too close: (T0301)G81.C and (T0301)H82.N only 0.000 apart, marking (T0301)G81.C as missing WARNING: atoms too close: (T0301)G81.O and (T0301)H82.N only 0.000 apart, marking (T0301)G81.O as missing WARNING: atoms too close: (T0301)G81.CA and (T0301)H82.N only 0.000 apart, marking (T0301)G81.CA as missing WARNING: atoms too close: (T0301)G81.N and (T0301)H82.N only 0.000 apart, marking (T0301)G81.N as missing WARNING: atoms too close: (T0301)P80.C and (T0301)H82.N only 0.000 apart, marking (T0301)P80.C as missing WARNING: atoms too close: (T0301)P80.O and (T0301)H82.N only 0.000 apart, marking (T0301)P80.O as missing WARNING: atoms too close: (T0301)P80.CD and (T0301)H82.N only 0.000 apart, marking (T0301)P80.CD as missing WARNING: atoms too close: (T0301)P80.CG and (T0301)H82.N only 0.000 apart, marking (T0301)P80.CG as missing WARNING: atoms too close: (T0301)P80.CB and (T0301)H82.N only 0.000 apart, marking (T0301)P80.CB as missing WARNING: atoms too close: (T0301)P80.CA and (T0301)H82.N only 0.000 apart, marking (T0301)P80.CA as missing WARNING: atoms too close: (T0301)P80.N and (T0301)H82.N only 0.000 apart, marking (T0301)P80.N as missing WARNING: atoms too close: (T0301)Q79.C and (T0301)H82.N only 0.000 apart, marking (T0301)Q79.C as missing WARNING: atoms too close: (T0301)Q79.O and (T0301)H82.N only 0.000 apart, marking (T0301)Q79.O as missing WARNING: atoms too close: (T0301)Q79.NE2 and (T0301)H82.N only 0.000 apart, marking (T0301)Q79.NE2 as missing WARNING: atoms too close: (T0301)Q79.OE1 and (T0301)H82.N only 0.000 apart, marking (T0301)Q79.OE1 as missing WARNING: atoms too close: (T0301)Q79.CD and (T0301)H82.N only 0.000 apart, marking (T0301)Q79.CD as missing WARNING: atoms too close: (T0301)Q79.CG and (T0301)H82.N only 0.000 apart, marking (T0301)Q79.CG as missing WARNING: atoms too close: (T0301)Q79.CB and (T0301)H82.N only 0.000 apart, marking (T0301)Q79.CB as missing WARNING: atoms too close: (T0301)Q79.CA and (T0301)H82.N only 0.000 apart, marking (T0301)Q79.CA as missing WARNING: atoms too close: (T0301)Q79.N and (T0301)H82.N only 0.000 apart, marking (T0301)Q79.N as missing WARNING: atoms too close: (T0301)S78.C and (T0301)H82.N only 0.000 apart, marking (T0301)S78.C as missing WARNING: atoms too close: (T0301)S78.O and (T0301)H82.N only 0.000 apart, marking (T0301)S78.O as missing WARNING: atoms too close: (T0301)S78.OG and (T0301)H82.N only 0.000 apart, marking (T0301)S78.OG as missing WARNING: atoms too close: (T0301)S78.CB and (T0301)H82.N only 0.000 apart, marking (T0301)S78.CB as missing WARNING: atoms too close: (T0301)S78.CA and (T0301)H82.N only 0.000 apart, marking (T0301)S78.CA as missing WARNING: atoms too close: (T0301)S78.N and (T0301)H82.N only 0.000 apart, marking (T0301)S78.N as missing WARNING: atoms too close: (T0301)S77.C and (T0301)H82.N only 0.000 apart, marking (T0301)S77.C as missing WARNING: atoms too close: (T0301)S77.O and (T0301)H82.N only 0.000 apart, marking (T0301)S77.O as missing WARNING: atoms too close: (T0301)S77.OG and (T0301)H82.N only 0.000 apart, marking (T0301)S77.OG as missing WARNING: atoms too close: (T0301)S77.CB and (T0301)H82.N only 0.000 apart, marking (T0301)S77.CB as missing WARNING: atoms too close: (T0301)S77.CA and (T0301)H82.N only 0.000 apart, marking (T0301)S77.CA as missing WARNING: atoms too close: (T0301)S77.N and (T0301)H82.N only 0.000 apart, marking (T0301)S77.N as missing WARNING: atoms too close: (T0301)K76.C and (T0301)H82.N only 0.000 apart, marking (T0301)K76.C as missing WARNING: atoms too close: (T0301)K76.O and (T0301)H82.N only 0.000 apart, marking (T0301)K76.O as missing WARNING: atoms too close: (T0301)K76.NZ and (T0301)H82.N only 0.000 apart, marking (T0301)K76.NZ as missing WARNING: atoms too close: (T0301)K76.CE and (T0301)H82.N only 0.000 apart, marking (T0301)K76.CE as missing WARNING: atoms too close: (T0301)K76.CD and (T0301)H82.N only 0.000 apart, marking (T0301)K76.CD as missing WARNING: atoms too close: (T0301)K76.CG and (T0301)H82.N only 0.000 apart, marking (T0301)K76.CG as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)H82.N only 0.000 apart, marking (T0301)K76.CB as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)H82.N only 0.000 apart, marking (T0301)K76.CA as missing WARNING: atoms too close: (T0301)K76.N and (T0301)H82.N only 0.000 apart, marking (T0301)K76.N as missing WARNING: atoms too close: (T0301)S75.C and (T0301)H82.N only 0.000 apart, marking (T0301)H82.N as missing WARNING: atoms too close: (T0301)H82.N and (T0301)H82.CA only 0.000 apart, marking (T0301)H82.CA as missing WARNING: atoms too close: (T0301)G81.C and (T0301)H82.CA only 0.000 apart, marking (T0301)H82.CA as missing WARNING: atoms too close: (T0301)G81.O and (T0301)H82.CA only 0.000 apart, marking (T0301)H82.CA as missing WARNING: atoms too close: (T0301)G81.CA and (T0301)H82.CA only 0.000 apart, marking (T0301)H82.CA as missing WARNING: atoms too close: (T0301)G81.N and (T0301)H82.CA only 0.000 apart, marking (T0301)H82.CA as missing WARNING: atoms too close: (T0301)P80.C and (T0301)H82.CA only 0.000 apart, marking (T0301)H82.CA as missing WARNING: atoms too close: (T0301)P80.O and (T0301)H82.CA only 0.000 apart, marking (T0301)H82.CA as missing WARNING: atoms too close: (T0301)P80.CD and (T0301)H82.CA only 0.000 apart, marking (T0301)H82.CA as missing WARNING: atoms too close: (T0301)P80.CG and (T0301)H82.CA only 0.000 apart, marking (T0301)H82.CA as missing WARNING: atoms too close: (T0301)P80.CB and (T0301)H82.CA only 0.000 apart, marking (T0301)H82.CA as missing WARNING: atoms too close: (T0301)P80.CA and (T0301)H82.CA only 0.000 apart, marking (T0301)H82.CA as missing WARNING: atoms too close: (T0301)P80.N and (T0301)H82.CA only 0.000 apart, marking (T0301)H82.CA as missing WARNING: atoms too close: (T0301)Q79.C and (T0301)H82.CA only 0.000 apart, marking (T0301)H82.CA as missing WARNING: atoms too close: (T0301)Q79.O and (T0301)H82.CA only 0.000 apart, marking (T0301)H82.CA as missing WARNING: atoms too close: (T0301)Q79.NE2 and (T0301)H82.CA only 0.000 apart, marking (T0301)H82.CA as missing WARNING: atoms too close: (T0301)Q79.OE1 and (T0301)H82.CA only 0.000 apart, marking (T0301)H82.CA as missing WARNING: atoms too close: (T0301)Q79.CD and (T0301)H82.CA only 0.000 apart, marking (T0301)H82.CA as missing WARNING: atoms too close: (T0301)Q79.CG and (T0301)H82.CA only 0.000 apart, marking (T0301)H82.CA as missing WARNING: atoms too close: (T0301)Q79.CB and (T0301)H82.CA only 0.000 apart, marking (T0301)H82.CA as missing WARNING: atoms too close: (T0301)Q79.CA and (T0301)H82.CA only 0.000 apart, marking (T0301)H82.CA as missing WARNING: atoms too close: (T0301)Q79.N and (T0301)H82.CA only 0.000 apart, marking (T0301)H82.CA as missing WARNING: atoms too close: (T0301)S78.C and (T0301)H82.CA only 0.000 apart, marking (T0301)H82.CA as missing WARNING: atoms too close: (T0301)S78.O and (T0301)H82.CA only 0.000 apart, marking (T0301)H82.CA as missing WARNING: atoms too close: (T0301)S78.OG and (T0301)H82.CA only 0.000 apart, marking (T0301)H82.CA as missing WARNING: atoms too close: (T0301)S78.CB and (T0301)H82.CA only 0.000 apart, marking (T0301)H82.CA as missing WARNING: atoms too close: (T0301)S78.CA and (T0301)H82.CA only 0.000 apart, marking (T0301)H82.CA as missing WARNING: atoms too close: (T0301)S78.N and (T0301)H82.CA only 0.000 apart, marking (T0301)H82.CA as missing WARNING: atoms too close: (T0301)S77.C and (T0301)H82.CA only 0.000 apart, marking (T0301)H82.CA as missing WARNING: atoms too close: (T0301)S77.O and (T0301)H82.CA only 0.000 apart, marking (T0301)H82.CA as missing WARNING: atoms too close: (T0301)S77.OG and (T0301)H82.CA only 0.000 apart, marking (T0301)H82.CA as missing WARNING: atoms too close: (T0301)S77.CB and (T0301)H82.CA only 0.000 apart, marking (T0301)H82.CA as missing WARNING: atoms too close: (T0301)S77.CA and (T0301)H82.CA only 0.000 apart, marking (T0301)H82.CA as missing WARNING: atoms too close: (T0301)S77.N and (T0301)H82.CA only 0.000 apart, marking (T0301)H82.CA as missing WARNING: atoms too close: (T0301)K76.C and (T0301)H82.CA only 0.000 apart, marking (T0301)H82.CA as missing WARNING: atoms too close: (T0301)K76.O and (T0301)H82.CA only 0.000 apart, marking (T0301)H82.CA as missing WARNING: atoms too close: (T0301)K76.NZ and (T0301)H82.CA only 0.000 apart, marking (T0301)H82.CA as missing WARNING: atoms too close: (T0301)K76.CE and (T0301)H82.CA only 0.000 apart, marking (T0301)H82.CA as missing WARNING: atoms too close: (T0301)K76.CD and (T0301)H82.CA only 0.000 apart, marking (T0301)H82.CA as missing WARNING: atoms too close: (T0301)K76.CG and (T0301)H82.CA only 0.000 apart, marking (T0301)H82.CA as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)H82.CA only 0.000 apart, marking (T0301)H82.CA as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)H82.CA only 0.000 apart, marking (T0301)H82.CA as missing WARNING: atoms too close: (T0301)K76.N and (T0301)H82.CA only 0.000 apart, marking (T0301)H82.CA as missing WARNING: atoms too close: (T0301)S75.C and (T0301)H82.CA only 0.000 apart, marking (T0301)H82.CA as missing WARNING: atoms too close: (T0301)H82.CA and (T0301)H82.CB only 0.000 apart, marking (T0301)H82.CB as missing WARNING: atoms too close: (T0301)H82.N and (T0301)H82.CB only 0.000 apart, marking (T0301)H82.CB as missing WARNING: atoms too close: (T0301)G81.C and (T0301)H82.CB only 0.000 apart, marking (T0301)H82.CB as missing WARNING: atoms too close: (T0301)G81.O and (T0301)H82.CB only 0.000 apart, marking (T0301)H82.CB as missing WARNING: atoms too close: (T0301)G81.CA and (T0301)H82.CB only 0.000 apart, marking (T0301)H82.CB as missing WARNING: atoms too close: (T0301)G81.N and (T0301)H82.CB only 0.000 apart, marking (T0301)H82.CB as missing WARNING: atoms too close: (T0301)P80.C and (T0301)H82.CB only 0.000 apart, marking (T0301)H82.CB as missing WARNING: atoms too close: (T0301)P80.O and (T0301)H82.CB only 0.000 apart, marking (T0301)H82.CB as missing WARNING: atoms too close: (T0301)P80.CD and (T0301)H82.CB only 0.000 apart, marking (T0301)H82.CB as missing WARNING: atoms too close: (T0301)P80.CG and (T0301)H82.CB only 0.000 apart, marking (T0301)H82.CB as missing WARNING: atoms too close: (T0301)P80.CB and (T0301)H82.CB only 0.000 apart, marking (T0301)H82.CB as missing WARNING: atoms too close: (T0301)P80.CA and (T0301)H82.CB only 0.000 apart, marking (T0301)H82.CB as missing WARNING: atoms too close: (T0301)P80.N and (T0301)H82.CB only 0.000 apart, marking (T0301)H82.CB as missing WARNING: atoms too close: (T0301)Q79.C and (T0301)H82.CB only 0.000 apart, marking (T0301)H82.CB as missing WARNING: atoms too close: (T0301)Q79.O and (T0301)H82.CB only 0.000 apart, marking (T0301)H82.CB as missing WARNING: atoms too close: (T0301)Q79.NE2 and (T0301)H82.CB only 0.000 apart, marking (T0301)H82.CB as missing WARNING: atoms too close: (T0301)Q79.OE1 and (T0301)H82.CB only 0.000 apart, marking (T0301)H82.CB as missing WARNING: atoms too close: (T0301)Q79.CD and (T0301)H82.CB only 0.000 apart, marking (T0301)H82.CB as missing WARNING: atoms too close: (T0301)Q79.CG and (T0301)H82.CB only 0.000 apart, marking (T0301)H82.CB as missing WARNING: atoms too close: (T0301)Q79.CB and (T0301)H82.CB only 0.000 apart, marking (T0301)H82.CB as missing WARNING: atoms too close: (T0301)Q79.CA and (T0301)H82.CB only 0.000 apart, marking (T0301)H82.CB as missing WARNING: atoms too close: (T0301)Q79.N and (T0301)H82.CB only 0.000 apart, marking (T0301)H82.CB as missing WARNING: atoms too close: (T0301)S78.C and (T0301)H82.CB only 0.000 apart, marking (T0301)H82.CB as missing WARNING: atoms too close: (T0301)S78.O and (T0301)H82.CB only 0.000 apart, marking (T0301)H82.CB as missing WARNING: atoms too close: (T0301)S78.OG and (T0301)H82.CB only 0.000 apart, marking (T0301)H82.CB as missing WARNING: atoms too close: (T0301)S78.CB and (T0301)H82.CB only 0.000 apart, marking (T0301)H82.CB as missing WARNING: atoms too close: (T0301)S78.CA and (T0301)H82.CB only 0.000 apart, marking (T0301)H82.CB as missing WARNING: atoms too close: (T0301)S78.N and (T0301)H82.CB only 0.000 apart, marking (T0301)H82.CB as missing WARNING: atoms too close: (T0301)S77.C and (T0301)H82.CB only 0.000 apart, marking (T0301)H82.CB as missing WARNING: atoms too close: (T0301)S77.O and (T0301)H82.CB only 0.000 apart, marking (T0301)H82.CB as missing WARNING: atoms too close: (T0301)S77.OG and (T0301)H82.CB only 0.000 apart, marking (T0301)H82.CB as missing WARNING: atoms too close: (T0301)S77.CB and (T0301)H82.CB only 0.000 apart, marking (T0301)H82.CB as missing WARNING: atoms too close: (T0301)S77.CA and (T0301)H82.CB only 0.000 apart, marking (T0301)H82.CB as missing WARNING: atoms too close: (T0301)S77.N and (T0301)H82.CB only 0.000 apart, marking (T0301)H82.CB as missing WARNING: atoms too close: (T0301)K76.C and (T0301)H82.CB only 0.000 apart, marking (T0301)H82.CB as missing WARNING: atoms too close: (T0301)K76.O and (T0301)H82.CB only 0.000 apart, marking (T0301)H82.CB as missing WARNING: atoms too close: (T0301)K76.NZ and (T0301)H82.CB only 0.000 apart, marking (T0301)H82.CB as missing WARNING: atoms too close: (T0301)K76.CE and (T0301)H82.CB only 0.000 apart, marking (T0301)H82.CB as missing WARNING: atoms too close: (T0301)K76.CD and (T0301)H82.CB only 0.000 apart, marking (T0301)H82.CB as missing WARNING: atoms too close: (T0301)K76.CG and (T0301)H82.CB only 0.000 apart, marking (T0301)H82.CB as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)H82.CB only 0.000 apart, marking (T0301)H82.CB as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)H82.CB only 0.000 apart, marking (T0301)H82.CB as missing WARNING: atoms too close: (T0301)K76.N and (T0301)H82.CB only 0.000 apart, marking (T0301)H82.CB as missing WARNING: atoms too close: (T0301)S75.C and (T0301)H82.CB only 0.000 apart, marking (T0301)H82.CB as missing WARNING: atoms too close: (T0301)H82.CB and (T0301)H82.CG only 0.000 apart, marking (T0301)H82.CG as missing WARNING: atoms too close: (T0301)H82.CA and (T0301)H82.CG only 0.000 apart, marking (T0301)H82.CG as missing WARNING: atoms too close: (T0301)H82.N and (T0301)H82.CG only 0.000 apart, marking (T0301)H82.CG as missing WARNING: atoms too close: (T0301)G81.C and (T0301)H82.CG only 0.000 apart, marking (T0301)H82.CG as missing WARNING: atoms too close: (T0301)G81.O and (T0301)H82.CG only 0.000 apart, marking (T0301)H82.CG as missing WARNING: atoms too close: (T0301)G81.CA and (T0301)H82.CG only 0.000 apart, marking (T0301)H82.CG as missing WARNING: atoms too close: (T0301)G81.N and (T0301)H82.CG only 0.000 apart, marking (T0301)H82.CG as missing WARNING: atoms too close: (T0301)P80.C and (T0301)H82.CG only 0.000 apart, marking (T0301)H82.CG as missing WARNING: atoms too close: (T0301)P80.O and (T0301)H82.CG only 0.000 apart, marking (T0301)H82.CG as missing WARNING: atoms too close: (T0301)P80.CD and (T0301)H82.CG only 0.000 apart, marking (T0301)H82.CG as missing WARNING: atoms too close: (T0301)P80.CG and (T0301)H82.CG only 0.000 apart, marking (T0301)H82.CG as missing WARNING: atoms too close: (T0301)P80.CB and (T0301)H82.CG only 0.000 apart, marking (T0301)H82.CG as missing WARNING: atoms too close: (T0301)P80.CA and (T0301)H82.CG only 0.000 apart, marking (T0301)H82.CG as missing WARNING: atoms too close: (T0301)P80.N and (T0301)H82.CG only 0.000 apart, marking (T0301)H82.CG as missing WARNING: atoms too close: (T0301)Q79.C and (T0301)H82.CG only 0.000 apart, marking (T0301)H82.CG as missing WARNING: atoms too close: (T0301)Q79.O and (T0301)H82.CG only 0.000 apart, marking (T0301)H82.CG as missing WARNING: atoms too close: (T0301)Q79.NE2 and (T0301)H82.CG only 0.000 apart, marking (T0301)H82.CG as missing WARNING: atoms too close: (T0301)Q79.OE1 and (T0301)H82.CG only 0.000 apart, marking (T0301)H82.CG as missing WARNING: atoms too close: (T0301)Q79.CD and (T0301)H82.CG only 0.000 apart, marking (T0301)H82.CG as missing WARNING: atoms too close: (T0301)Q79.CG and (T0301)H82.CG only 0.000 apart, marking (T0301)H82.CG as missing WARNING: atoms too close: (T0301)Q79.CB and (T0301)H82.CG only 0.000 apart, marking (T0301)H82.CG as missing WARNING: atoms too close: (T0301)Q79.CA and (T0301)H82.CG only 0.000 apart, marking (T0301)H82.CG as missing WARNING: atoms too close: (T0301)Q79.N and (T0301)H82.CG only 0.000 apart, marking (T0301)H82.CG as missing WARNING: atoms too close: (T0301)S78.C and (T0301)H82.CG only 0.000 apart, marking (T0301)H82.CG as missing WARNING: atoms too close: (T0301)S78.O and (T0301)H82.CG only 0.000 apart, marking (T0301)H82.CG as missing WARNING: atoms too close: (T0301)S78.OG and (T0301)H82.CG only 0.000 apart, marking (T0301)H82.CG as missing WARNING: atoms too close: (T0301)S78.CB and (T0301)H82.CG only 0.000 apart, marking (T0301)H82.CG as missing WARNING: atoms too close: (T0301)S78.CA and (T0301)H82.CG only 0.000 apart, marking (T0301)H82.CG as missing WARNING: atoms too close: (T0301)S78.N and (T0301)H82.CG only 0.000 apart, marking (T0301)H82.CG as missing WARNING: atoms too close: (T0301)S77.C and (T0301)H82.CG only 0.000 apart, marking (T0301)H82.CG as missing WARNING: atoms too close: (T0301)S77.O and (T0301)H82.CG only 0.000 apart, marking (T0301)H82.CG as missing WARNING: atoms too close: (T0301)S77.OG and (T0301)H82.CG only 0.000 apart, marking (T0301)H82.CG as missing WARNING: atoms too close: (T0301)S77.CB and (T0301)H82.CG only 0.000 apart, marking (T0301)H82.CG as missing WARNING: atoms too close: (T0301)S77.CA and (T0301)H82.CG only 0.000 apart, marking (T0301)H82.CG as missing WARNING: atoms too close: (T0301)S77.N and (T0301)H82.CG only 0.000 apart, marking (T0301)H82.CG as missing WARNING: atoms too close: (T0301)K76.C and (T0301)H82.CG only 0.000 apart, marking (T0301)H82.CG as missing WARNING: atoms too close: (T0301)K76.O and (T0301)H82.CG only 0.000 apart, marking (T0301)H82.CG as missing WARNING: atoms too close: (T0301)K76.NZ and (T0301)H82.CG only 0.000 apart, marking (T0301)H82.CG as missing WARNING: atoms too close: (T0301)K76.CE and (T0301)H82.CG only 0.000 apart, marking (T0301)H82.CG as missing WARNING: atoms too close: (T0301)K76.CD and (T0301)H82.CG only 0.000 apart, marking (T0301)H82.CG as missing WARNING: atoms too close: (T0301)K76.CG and (T0301)H82.CG only 0.000 apart, marking (T0301)H82.CG as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)H82.CG only 0.000 apart, marking (T0301)H82.CG as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)H82.CG only 0.000 apart, marking (T0301)H82.CG as missing WARNING: atoms too close: (T0301)K76.N and (T0301)H82.CG only 0.000 apart, marking (T0301)H82.CG as missing WARNING: atoms too close: (T0301)S75.C and (T0301)H82.CG only 0.000 apart, marking (T0301)H82.CG as missing WARNING: atoms too close: (T0301)H82.CG and (T0301)H82.CD2 only 0.000 apart, marking (T0301)H82.CD2 as missing WARNING: atoms too close: (T0301)H82.CB and (T0301)H82.CD2 only 0.000 apart, marking (T0301)H82.CD2 as missing WARNING: atoms too close: (T0301)H82.CA and (T0301)H82.CD2 only 0.000 apart, marking (T0301)H82.CD2 as missing WARNING: atoms too close: (T0301)H82.N and (T0301)H82.CD2 only 0.000 apart, marking (T0301)H82.CD2 as missing WARNING: atoms too close: (T0301)G81.C and (T0301)H82.CD2 only 0.000 apart, marking (T0301)H82.CD2 as missing WARNING: atoms too close: (T0301)G81.O and (T0301)H82.CD2 only 0.000 apart, marking (T0301)H82.CD2 as missing WARNING: atoms too close: (T0301)G81.CA and (T0301)H82.CD2 only 0.000 apart, marking (T0301)H82.CD2 as missing WARNING: atoms too close: (T0301)G81.N and (T0301)H82.CD2 only 0.000 apart, marking (T0301)H82.CD2 as missing WARNING: atoms too close: (T0301)P80.C and (T0301)H82.CD2 only 0.000 apart, marking (T0301)H82.CD2 as missing WARNING: atoms too close: (T0301)P80.O and (T0301)H82.CD2 only 0.000 apart, marking (T0301)H82.CD2 as missing WARNING: atoms too close: (T0301)P80.CD and (T0301)H82.CD2 only 0.000 apart, marking (T0301)H82.CD2 as missing WARNING: atoms too close: (T0301)P80.CG and (T0301)H82.CD2 only 0.000 apart, marking (T0301)H82.CD2 as missing WARNING: atoms too close: (T0301)P80.CB and (T0301)H82.CD2 only 0.000 apart, marking (T0301)H82.CD2 as missing WARNING: atoms too close: (T0301)P80.CA and (T0301)H82.CD2 only 0.000 apart, marking (T0301)H82.CD2 as missing WARNING: atoms too close: (T0301)P80.N and (T0301)H82.CD2 only 0.000 apart, marking (T0301)H82.CD2 as missing WARNING: atoms too close: (T0301)Q79.C and (T0301)H82.CD2 only 0.000 apart, marking (T0301)H82.CD2 as missing WARNING: atoms too close: (T0301)Q79.O and (T0301)H82.CD2 only 0.000 apart, marking (T0301)H82.CD2 as missing WARNING: atoms too close: (T0301)Q79.NE2 and (T0301)H82.CD2 only 0.000 apart, marking (T0301)H82.CD2 as missing WARNING: atoms too close: (T0301)Q79.OE1 and (T0301)H82.CD2 only 0.000 apart, marking (T0301)H82.CD2 as missing WARNING: atoms too close: (T0301)Q79.CD and (T0301)H82.CD2 only 0.000 apart, marking (T0301)H82.CD2 as missing WARNING: atoms too close: (T0301)Q79.CG and (T0301)H82.CD2 only 0.000 apart, marking (T0301)H82.CD2 as missing WARNING: atoms too close: (T0301)Q79.CB and (T0301)H82.CD2 only 0.000 apart, marking (T0301)H82.CD2 as missing WARNING: atoms too close: (T0301)Q79.CA and (T0301)H82.CD2 only 0.000 apart, marking (T0301)H82.CD2 as missing WARNING: atoms too close: (T0301)Q79.N and (T0301)H82.CD2 only 0.000 apart, marking (T0301)H82.CD2 as missing WARNING: atoms too close: (T0301)S78.C and (T0301)H82.CD2 only 0.000 apart, marking (T0301)H82.CD2 as missing WARNING: atoms too close: (T0301)S78.O and (T0301)H82.CD2 only 0.000 apart, marking (T0301)H82.CD2 as missing WARNING: atoms too close: (T0301)S78.OG and (T0301)H82.CD2 only 0.000 apart, marking (T0301)H82.CD2 as missing WARNING: atoms too close: (T0301)S78.CB and (T0301)H82.CD2 only 0.000 apart, marking (T0301)H82.CD2 as missing WARNING: atoms too close: (T0301)S78.CA and (T0301)H82.CD2 only 0.000 apart, marking (T0301)H82.CD2 as missing WARNING: atoms too close: (T0301)S78.N and (T0301)H82.CD2 only 0.000 apart, marking (T0301)H82.CD2 as missing WARNING: atoms too close: (T0301)S77.C and (T0301)H82.CD2 only 0.000 apart, marking (T0301)H82.CD2 as missing WARNING: atoms too close: (T0301)S77.O and (T0301)H82.CD2 only 0.000 apart, marking (T0301)H82.CD2 as missing WARNING: atoms too close: (T0301)S77.OG and (T0301)H82.CD2 only 0.000 apart, marking (T0301)H82.CD2 as missing WARNING: atoms too close: (T0301)S77.CB and (T0301)H82.CD2 only 0.000 apart, marking (T0301)H82.CD2 as missing WARNING: atoms too close: (T0301)S77.CA and (T0301)H82.CD2 only 0.000 apart, marking (T0301)H82.CD2 as missing WARNING: atoms too close: (T0301)S77.N and (T0301)H82.CD2 only 0.000 apart, marking (T0301)H82.CD2 as missing WARNING: atoms too close: (T0301)K76.C and (T0301)H82.CD2 only 0.000 apart, marking (T0301)H82.CD2 as missing WARNING: atoms too close: (T0301)K76.O and (T0301)H82.CD2 only 0.000 apart, marking (T0301)H82.CD2 as missing WARNING: atoms too close: (T0301)K76.NZ and (T0301)H82.CD2 only 0.000 apart, marking (T0301)H82.CD2 as missing WARNING: atoms too close: (T0301)K76.CE and (T0301)H82.CD2 only 0.000 apart, marking (T0301)H82.CD2 as missing WARNING: atoms too close: (T0301)K76.CD and (T0301)H82.CD2 only 0.000 apart, marking (T0301)H82.CD2 as missing WARNING: atoms too close: (T0301)K76.CG and (T0301)H82.CD2 only 0.000 apart, marking (T0301)H82.CD2 as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)H82.CD2 only 0.000 apart, marking (T0301)H82.CD2 as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)H82.CD2 only 0.000 apart, marking (T0301)H82.CD2 as missing WARNING: atoms too close: (T0301)K76.N and (T0301)H82.CD2 only 0.000 apart, marking (T0301)H82.CD2 as missing WARNING: atoms too close: (T0301)S75.C and (T0301)H82.CD2 only 0.000 apart, marking (T0301)H82.CD2 as missing WARNING: atoms too close: (T0301)H82.CD2 and (T0301)H82.ND1 only 0.000 apart, marking (T0301)H82.ND1 as missing WARNING: atoms too close: (T0301)H82.CG and (T0301)H82.ND1 only 0.000 apart, marking (T0301)H82.ND1 as missing WARNING: atoms too close: (T0301)H82.CB and (T0301)H82.ND1 only 0.000 apart, marking (T0301)H82.ND1 as missing WARNING: atoms too close: (T0301)H82.CA and (T0301)H82.ND1 only 0.000 apart, marking (T0301)H82.ND1 as missing WARNING: atoms too close: (T0301)H82.N and (T0301)H82.ND1 only 0.000 apart, marking (T0301)H82.ND1 as missing WARNING: atoms too close: (T0301)G81.C and (T0301)H82.ND1 only 0.000 apart, marking (T0301)H82.ND1 as missing WARNING: atoms too close: (T0301)G81.O and (T0301)H82.ND1 only 0.000 apart, marking (T0301)H82.ND1 as missing WARNING: atoms too close: (T0301)G81.CA and (T0301)H82.ND1 only 0.000 apart, marking (T0301)H82.ND1 as missing WARNING: atoms too close: (T0301)G81.N and (T0301)H82.ND1 only 0.000 apart, marking (T0301)H82.ND1 as missing WARNING: atoms too close: (T0301)P80.C and (T0301)H82.ND1 only 0.000 apart, marking (T0301)H82.ND1 as missing WARNING: atoms too close: (T0301)P80.O and (T0301)H82.ND1 only 0.000 apart, marking (T0301)H82.ND1 as missing WARNING: atoms too close: (T0301)P80.CD and (T0301)H82.ND1 only 0.000 apart, marking (T0301)H82.ND1 as missing WARNING: atoms too close: (T0301)P80.CG and (T0301)H82.ND1 only 0.000 apart, marking (T0301)H82.ND1 as missing WARNING: atoms too close: (T0301)P80.CB and (T0301)H82.ND1 only 0.000 apart, marking (T0301)H82.ND1 as missing WARNING: atoms too close: (T0301)P80.CA and (T0301)H82.ND1 only 0.000 apart, marking (T0301)H82.ND1 as missing WARNING: atoms too close: (T0301)P80.N and (T0301)H82.ND1 only 0.000 apart, marking (T0301)H82.ND1 as missing WARNING: atoms too close: (T0301)Q79.C and (T0301)H82.ND1 only 0.000 apart, marking (T0301)H82.ND1 as missing WARNING: atoms too close: (T0301)Q79.O and (T0301)H82.ND1 only 0.000 apart, marking (T0301)H82.ND1 as missing WARNING: atoms too close: (T0301)Q79.NE2 and (T0301)H82.ND1 only 0.000 apart, marking (T0301)H82.ND1 as missing WARNING: atoms too close: (T0301)Q79.OE1 and (T0301)H82.ND1 only 0.000 apart, marking (T0301)H82.ND1 as missing WARNING: atoms too close: (T0301)Q79.CD and (T0301)H82.ND1 only 0.000 apart, marking (T0301)H82.ND1 as missing WARNING: atoms too close: (T0301)Q79.CG and (T0301)H82.ND1 only 0.000 apart, marking (T0301)H82.ND1 as missing WARNING: atoms too close: (T0301)Q79.CB and (T0301)H82.ND1 only 0.000 apart, marking (T0301)H82.ND1 as missing WARNING: atoms too close: (T0301)Q79.CA and (T0301)H82.ND1 only 0.000 apart, marking (T0301)H82.ND1 as missing WARNING: atoms too close: (T0301)Q79.N and (T0301)H82.ND1 only 0.000 apart, marking (T0301)H82.ND1 as missing WARNING: atoms too close: (T0301)S78.C and (T0301)H82.ND1 only 0.000 apart, marking (T0301)H82.ND1 as missing WARNING: atoms too close: (T0301)S78.O and (T0301)H82.ND1 only 0.000 apart, marking (T0301)H82.ND1 as missing WARNING: atoms too close: (T0301)S78.OG and (T0301)H82.ND1 only 0.000 apart, marking (T0301)H82.ND1 as missing WARNING: atoms too close: (T0301)S78.CB and (T0301)H82.ND1 only 0.000 apart, marking (T0301)H82.ND1 as missing WARNING: atoms too close: (T0301)S78.CA and (T0301)H82.ND1 only 0.000 apart, marking (T0301)H82.ND1 as missing WARNING: atoms too close: (T0301)S78.N and (T0301)H82.ND1 only 0.000 apart, marking (T0301)H82.ND1 as missing WARNING: atoms too close: (T0301)S77.C and (T0301)H82.ND1 only 0.000 apart, marking (T0301)H82.ND1 as missing WARNING: atoms too close: (T0301)S77.O and (T0301)H82.ND1 only 0.000 apart, marking (T0301)H82.ND1 as missing WARNING: atoms too close: (T0301)S77.OG and (T0301)H82.ND1 only 0.000 apart, marking (T0301)H82.ND1 as missing WARNING: atoms too close: (T0301)S77.CB and (T0301)H82.ND1 only 0.000 apart, marking (T0301)H82.ND1 as missing WARNING: atoms too close: (T0301)S77.CA and (T0301)H82.ND1 only 0.000 apart, marking (T0301)H82.ND1 as missing WARNING: atoms too close: (T0301)S77.N and (T0301)H82.ND1 only 0.000 apart, marking (T0301)H82.ND1 as missing WARNING: atoms too close: (T0301)K76.C and (T0301)H82.ND1 only 0.000 apart, marking (T0301)H82.ND1 as missing WARNING: atoms too close: (T0301)K76.O and (T0301)H82.ND1 only 0.000 apart, marking (T0301)H82.ND1 as missing WARNING: atoms too close: (T0301)K76.NZ and (T0301)H82.ND1 only 0.000 apart, marking (T0301)H82.ND1 as missing WARNING: atoms too close: (T0301)K76.CE and (T0301)H82.ND1 only 0.000 apart, marking (T0301)H82.ND1 as missing WARNING: atoms too close: (T0301)K76.CD and (T0301)H82.ND1 only 0.000 apart, marking (T0301)H82.ND1 as missing WARNING: atoms too close: (T0301)K76.CG and (T0301)H82.ND1 only 0.000 apart, marking (T0301)H82.ND1 as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)H82.ND1 only 0.000 apart, marking (T0301)H82.ND1 as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)H82.ND1 only 0.000 apart, marking (T0301)H82.ND1 as missing WARNING: atoms too close: (T0301)K76.N and (T0301)H82.ND1 only 0.000 apart, marking (T0301)H82.ND1 as missing WARNING: atoms too close: (T0301)S75.C and (T0301)H82.ND1 only 0.000 apart, marking (T0301)H82.ND1 as missing WARNING: atoms too close: (T0301)H82.ND1 and (T0301)H82.CE1 only 0.000 apart, marking (T0301)H82.CE1 as missing WARNING: atoms too close: (T0301)H82.CD2 and (T0301)H82.CE1 only 0.000 apart, marking (T0301)H82.CE1 as missing WARNING: atoms too close: (T0301)H82.CG and (T0301)H82.CE1 only 0.000 apart, marking (T0301)H82.CE1 as missing WARNING: atoms too close: (T0301)H82.CB and (T0301)H82.CE1 only 0.000 apart, marking (T0301)H82.CE1 as missing WARNING: atoms too close: (T0301)H82.CA and (T0301)H82.CE1 only 0.000 apart, marking (T0301)H82.CE1 as missing WARNING: atoms too close: (T0301)H82.N and (T0301)H82.CE1 only 0.000 apart, marking (T0301)H82.CE1 as missing WARNING: atoms too close: (T0301)G81.C and (T0301)H82.CE1 only 0.000 apart, marking (T0301)H82.CE1 as missing WARNING: atoms too close: (T0301)G81.O and (T0301)H82.CE1 only 0.000 apart, marking (T0301)H82.CE1 as missing WARNING: atoms too close: (T0301)G81.CA and (T0301)H82.CE1 only 0.000 apart, marking (T0301)H82.CE1 as missing WARNING: atoms too close: (T0301)G81.N and (T0301)H82.CE1 only 0.000 apart, marking (T0301)H82.CE1 as missing WARNING: atoms too close: (T0301)P80.C and (T0301)H82.CE1 only 0.000 apart, marking (T0301)H82.CE1 as missing WARNING: atoms too close: (T0301)P80.O and (T0301)H82.CE1 only 0.000 apart, marking (T0301)H82.CE1 as missing WARNING: atoms too close: (T0301)P80.CD and (T0301)H82.CE1 only 0.000 apart, marking (T0301)H82.CE1 as missing WARNING: atoms too close: (T0301)P80.CG and (T0301)H82.CE1 only 0.000 apart, marking (T0301)H82.CE1 as missing WARNING: atoms too close: (T0301)P80.CB and (T0301)H82.CE1 only 0.000 apart, marking (T0301)H82.CE1 as missing WARNING: atoms too close: (T0301)P80.CA and (T0301)H82.CE1 only 0.000 apart, marking (T0301)H82.CE1 as missing WARNING: atoms too close: (T0301)P80.N and (T0301)H82.CE1 only 0.000 apart, marking (T0301)H82.CE1 as missing WARNING: atoms too close: (T0301)Q79.C and (T0301)H82.CE1 only 0.000 apart, marking (T0301)H82.CE1 as missing WARNING: atoms too close: (T0301)Q79.O and (T0301)H82.CE1 only 0.000 apart, marking (T0301)H82.CE1 as missing WARNING: atoms too close: (T0301)Q79.NE2 and (T0301)H82.CE1 only 0.000 apart, marking (T0301)H82.CE1 as missing WARNING: atoms too close: (T0301)Q79.OE1 and (T0301)H82.CE1 only 0.000 apart, marking (T0301)H82.CE1 as missing WARNING: atoms too close: (T0301)Q79.CD and (T0301)H82.CE1 only 0.000 apart, marking (T0301)H82.CE1 as missing WARNING: atoms too close: (T0301)Q79.CG and (T0301)H82.CE1 only 0.000 apart, marking (T0301)H82.CE1 as missing WARNING: atoms too close: (T0301)Q79.CB and (T0301)H82.CE1 only 0.000 apart, marking (T0301)H82.CE1 as missing WARNING: atoms too close: (T0301)Q79.CA and (T0301)H82.CE1 only 0.000 apart, marking (T0301)H82.CE1 as missing WARNING: atoms too close: (T0301)Q79.N and (T0301)H82.CE1 only 0.000 apart, marking (T0301)H82.CE1 as missing WARNING: atoms too close: (T0301)S78.C and (T0301)H82.CE1 only 0.000 apart, marking (T0301)H82.CE1 as missing WARNING: atoms too close: (T0301)S78.O and (T0301)H82.CE1 only 0.000 apart, marking (T0301)H82.CE1 as missing WARNING: atoms too close: (T0301)S78.OG and (T0301)H82.CE1 only 0.000 apart, marking (T0301)H82.CE1 as missing WARNING: atoms too close: (T0301)S78.CB and (T0301)H82.CE1 only 0.000 apart, marking (T0301)H82.CE1 as missing WARNING: atoms too close: (T0301)S78.CA and (T0301)H82.CE1 only 0.000 apart, marking (T0301)H82.CE1 as missing WARNING: atoms too close: (T0301)S78.N and (T0301)H82.CE1 only 0.000 apart, marking (T0301)H82.CE1 as missing WARNING: atoms too close: (T0301)S77.C and (T0301)H82.CE1 only 0.000 apart, marking (T0301)H82.CE1 as missing WARNING: atoms too close: (T0301)S77.O and (T0301)H82.CE1 only 0.000 apart, marking (T0301)H82.CE1 as missing WARNING: atoms too close: (T0301)S77.OG and (T0301)H82.CE1 only 0.000 apart, marking (T0301)H82.CE1 as missing WARNING: atoms too close: (T0301)S77.CB and (T0301)H82.CE1 only 0.000 apart, marking (T0301)H82.CE1 as missing WARNING: atoms too close: (T0301)S77.CA and (T0301)H82.CE1 only 0.000 apart, marking (T0301)H82.CE1 as missing WARNING: atoms too close: (T0301)S77.N and (T0301)H82.CE1 only 0.000 apart, marking (T0301)H82.CE1 as missing WARNING: atoms too close: (T0301)K76.C and (T0301)H82.CE1 only 0.000 apart, marking (T0301)H82.CE1 as missing WARNING: atoms too close: (T0301)K76.O and (T0301)H82.CE1 only 0.000 apart, marking (T0301)H82.CE1 as missing WARNING: atoms too close: (T0301)K76.NZ and (T0301)H82.CE1 only 0.000 apart, marking (T0301)H82.CE1 as missing WARNING: atoms too close: (T0301)K76.CE and (T0301)H82.CE1 only 0.000 apart, marking (T0301)H82.CE1 as missing WARNING: atoms too close: (T0301)K76.CD and (T0301)H82.CE1 only 0.000 apart, marking (T0301)H82.CE1 as missing WARNING: atoms too close: (T0301)K76.CG and (T0301)H82.CE1 only 0.000 apart, marking (T0301)H82.CE1 as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)H82.CE1 only 0.000 apart, marking (T0301)H82.CE1 as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)H82.CE1 only 0.000 apart, marking (T0301)H82.CE1 as missing WARNING: atoms too close: (T0301)K76.N and (T0301)H82.CE1 only 0.000 apart, marking (T0301)H82.CE1 as missing WARNING: atoms too close: (T0301)S75.C and (T0301)H82.CE1 only 0.000 apart, marking (T0301)H82.CE1 as missing WARNING: atoms too close: (T0301)H82.CE1 and (T0301)H82.NE2 only 0.000 apart, marking (T0301)H82.NE2 as missing WARNING: atoms too close: (T0301)H82.ND1 and (T0301)H82.NE2 only 0.000 apart, marking (T0301)H82.NE2 as missing WARNING: atoms too close: (T0301)H82.CD2 and (T0301)H82.NE2 only 0.000 apart, marking (T0301)H82.NE2 as missing WARNING: atoms too close: (T0301)H82.CG and (T0301)H82.NE2 only 0.000 apart, marking (T0301)H82.NE2 as missing WARNING: atoms too close: (T0301)H82.CB and (T0301)H82.NE2 only 0.000 apart, marking (T0301)H82.NE2 as missing WARNING: atoms too close: (T0301)H82.CA and (T0301)H82.NE2 only 0.000 apart, marking (T0301)H82.NE2 as missing WARNING: atoms too close: (T0301)H82.N and (T0301)H82.NE2 only 0.000 apart, marking (T0301)H82.NE2 as missing WARNING: atoms too close: (T0301)G81.C and (T0301)H82.NE2 only 0.000 apart, marking (T0301)H82.NE2 as missing WARNING: atoms too close: (T0301)G81.O and (T0301)H82.NE2 only 0.000 apart, marking (T0301)H82.NE2 as missing WARNING: atoms too close: (T0301)G81.CA and (T0301)H82.NE2 only 0.000 apart, marking (T0301)H82.NE2 as missing WARNING: atoms too close: (T0301)G81.N and (T0301)H82.NE2 only 0.000 apart, marking (T0301)H82.NE2 as missing WARNING: atoms too close: (T0301)P80.C and (T0301)H82.NE2 only 0.000 apart, marking (T0301)H82.NE2 as missing WARNING: atoms too close: (T0301)P80.O and (T0301)H82.NE2 only 0.000 apart, marking (T0301)H82.NE2 as missing WARNING: atoms too close: (T0301)P80.CD and (T0301)H82.NE2 only 0.000 apart, marking (T0301)H82.NE2 as missing WARNING: atoms too close: (T0301)P80.CG and (T0301)H82.NE2 only 0.000 apart, marking (T0301)H82.NE2 as missing WARNING: atoms too close: (T0301)P80.CB and (T0301)H82.NE2 only 0.000 apart, marking (T0301)H82.NE2 as missing WARNING: atoms too close: (T0301)P80.CA and (T0301)H82.NE2 only 0.000 apart, marking (T0301)H82.NE2 as missing WARNING: atoms too close: (T0301)P80.N and (T0301)H82.NE2 only 0.000 apart, marking (T0301)H82.NE2 as missing WARNING: atoms too close: (T0301)Q79.C and (T0301)H82.NE2 only 0.000 apart, marking (T0301)H82.NE2 as missing WARNING: atoms too close: (T0301)Q79.O and (T0301)H82.NE2 only 0.000 apart, marking (T0301)H82.NE2 as missing WARNING: atoms too close: (T0301)Q79.NE2 and (T0301)H82.NE2 only 0.000 apart, marking (T0301)H82.NE2 as missing WARNING: atoms too close: (T0301)Q79.OE1 and (T0301)H82.NE2 only 0.000 apart, marking (T0301)H82.NE2 as missing WARNING: atoms too close: (T0301)Q79.CD and (T0301)H82.NE2 only 0.000 apart, marking (T0301)H82.NE2 as missing WARNING: atoms too close: (T0301)Q79.CG and (T0301)H82.NE2 only 0.000 apart, marking (T0301)H82.NE2 as missing WARNING: atoms too close: (T0301)Q79.CB and (T0301)H82.NE2 only 0.000 apart, marking (T0301)H82.NE2 as missing WARNING: atoms too close: (T0301)Q79.CA and (T0301)H82.NE2 only 0.000 apart, marking (T0301)H82.NE2 as missing WARNING: atoms too close: (T0301)Q79.N and (T0301)H82.NE2 only 0.000 apart, marking (T0301)H82.NE2 as missing WARNING: atoms too close: (T0301)S78.C and (T0301)H82.NE2 only 0.000 apart, marking (T0301)H82.NE2 as missing WARNING: atoms too close: (T0301)S78.O and (T0301)H82.NE2 only 0.000 apart, marking (T0301)H82.NE2 as missing WARNING: atoms too close: (T0301)S78.OG and (T0301)H82.NE2 only 0.000 apart, marking (T0301)H82.NE2 as missing WARNING: atoms too close: (T0301)S78.CB and (T0301)H82.NE2 only 0.000 apart, marking (T0301)H82.NE2 as missing WARNING: atoms too close: (T0301)S78.CA and (T0301)H82.NE2 only 0.000 apart, marking (T0301)H82.NE2 as missing WARNING: atoms too close: (T0301)S78.N and (T0301)H82.NE2 only 0.000 apart, marking (T0301)H82.NE2 as missing WARNING: atoms too close: (T0301)S77.C and (T0301)H82.NE2 only 0.000 apart, marking (T0301)H82.NE2 as missing WARNING: atoms too close: (T0301)S77.O and (T0301)H82.NE2 only 0.000 apart, marking (T0301)H82.NE2 as missing WARNING: atoms too close: (T0301)S77.OG and (T0301)H82.NE2 only 0.000 apart, marking (T0301)H82.NE2 as missing WARNING: atoms too close: (T0301)S77.CB and (T0301)H82.NE2 only 0.000 apart, marking (T0301)H82.NE2 as missing WARNING: atoms too close: (T0301)S77.CA and (T0301)H82.NE2 only 0.000 apart, marking (T0301)H82.NE2 as missing WARNING: atoms too close: (T0301)S77.N and (T0301)H82.NE2 only 0.000 apart, marking (T0301)H82.NE2 as missing WARNING: atoms too close: (T0301)K76.C and (T0301)H82.NE2 only 0.000 apart, marking (T0301)H82.NE2 as missing WARNING: atoms too close: (T0301)K76.O and (T0301)H82.NE2 only 0.000 apart, marking (T0301)H82.NE2 as missing WARNING: atoms too close: (T0301)K76.NZ and (T0301)H82.NE2 only 0.000 apart, marking (T0301)H82.NE2 as missing WARNING: atoms too close: (T0301)K76.CE and (T0301)H82.NE2 only 0.000 apart, marking (T0301)H82.NE2 as missing WARNING: atoms too close: (T0301)K76.CD and (T0301)H82.NE2 only 0.000 apart, marking (T0301)H82.NE2 as missing WARNING: atoms too close: (T0301)K76.CG and (T0301)H82.NE2 only 0.000 apart, marking (T0301)H82.NE2 as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)H82.NE2 only 0.000 apart, marking (T0301)H82.NE2 as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)H82.NE2 only 0.000 apart, marking (T0301)H82.NE2 as missing WARNING: atoms too close: (T0301)K76.N and (T0301)H82.NE2 only 0.000 apart, marking (T0301)H82.NE2 as missing WARNING: atoms too close: (T0301)S75.C and (T0301)H82.NE2 only 0.000 apart, marking (T0301)H82.NE2 as missing WARNING: atoms too close: (T0301)H82.NE2 and (T0301)H82.O only 0.000 apart, marking (T0301)H82.O as missing WARNING: atoms too close: (T0301)H82.CE1 and (T0301)H82.O only 0.000 apart, marking (T0301)H82.O as missing WARNING: atoms too close: (T0301)H82.ND1 and (T0301)H82.O only 0.000 apart, marking (T0301)H82.O as missing WARNING: atoms too close: (T0301)H82.CD2 and (T0301)H82.O only 0.000 apart, marking (T0301)H82.O as missing WARNING: atoms too close: (T0301)H82.CG and (T0301)H82.O only 0.000 apart, marking (T0301)H82.O as missing WARNING: atoms too close: (T0301)H82.CB and (T0301)H82.O only 0.000 apart, marking (T0301)H82.O as missing WARNING: atoms too close: (T0301)H82.CA and (T0301)H82.O only 0.000 apart, marking (T0301)H82.O as missing WARNING: atoms too close: (T0301)H82.N and (T0301)H82.O only 0.000 apart, marking (T0301)H82.O as missing WARNING: atoms too close: (T0301)G81.C and (T0301)H82.O only 0.000 apart, marking (T0301)H82.O as missing WARNING: atoms too close: (T0301)G81.O and (T0301)H82.O only 0.000 apart, marking (T0301)H82.O as missing WARNING: atoms too close: (T0301)G81.CA and (T0301)H82.O only 0.000 apart, marking (T0301)H82.O as missing WARNING: atoms too close: (T0301)G81.N and (T0301)H82.O only 0.000 apart, marking (T0301)H82.O as missing WARNING: atoms too close: (T0301)P80.C and (T0301)H82.O only 0.000 apart, marking (T0301)H82.O as missing WARNING: atoms too close: (T0301)P80.O and (T0301)H82.O only 0.000 apart, marking (T0301)H82.O as missing WARNING: atoms too close: (T0301)P80.CD and (T0301)H82.O only 0.000 apart, marking (T0301)H82.O as missing WARNING: atoms too close: (T0301)P80.CG and (T0301)H82.O only 0.000 apart, marking (T0301)H82.O as missing WARNING: atoms too close: (T0301)P80.CB and (T0301)H82.O only 0.000 apart, marking (T0301)H82.O as missing WARNING: atoms too close: (T0301)P80.CA and (T0301)H82.O only 0.000 apart, marking (T0301)H82.O as missing WARNING: atoms too close: (T0301)P80.N and (T0301)H82.O only 0.000 apart, marking (T0301)H82.O as missing WARNING: atoms too close: (T0301)Q79.C and (T0301)H82.O only 0.000 apart, marking (T0301)H82.O as missing WARNING: atoms too close: (T0301)Q79.O and (T0301)H82.O only 0.000 apart, marking (T0301)H82.O as missing WARNING: atoms too close: (T0301)Q79.NE2 and (T0301)H82.O only 0.000 apart, marking (T0301)H82.O as missing WARNING: atoms too close: (T0301)Q79.OE1 and (T0301)H82.O only 0.000 apart, marking (T0301)H82.O as missing WARNING: atoms too close: (T0301)Q79.CD and (T0301)H82.O only 0.000 apart, marking (T0301)H82.O as missing WARNING: atoms too close: (T0301)Q79.CG and (T0301)H82.O only 0.000 apart, marking (T0301)H82.O as missing WARNING: atoms too close: (T0301)Q79.CB and (T0301)H82.O only 0.000 apart, marking (T0301)H82.O as missing WARNING: atoms too close: (T0301)Q79.CA and (T0301)H82.O only 0.000 apart, marking (T0301)H82.O as missing WARNING: atoms too close: (T0301)Q79.N and (T0301)H82.O only 0.000 apart, marking (T0301)H82.O as missing WARNING: atoms too close: (T0301)S78.C and (T0301)H82.O only 0.000 apart, marking (T0301)H82.O as missing WARNING: atoms too close: (T0301)S78.O and (T0301)H82.O only 0.000 apart, marking (T0301)H82.O as missing WARNING: atoms too close: (T0301)S78.OG and (T0301)H82.O only 0.000 apart, marking (T0301)H82.O as missing WARNING: atoms too close: (T0301)S78.CB and (T0301)H82.O only 0.000 apart, marking (T0301)H82.O as missing WARNING: atoms too close: (T0301)S78.CA and (T0301)H82.O only 0.000 apart, marking (T0301)H82.O as missing WARNING: atoms too close: (T0301)S78.N and (T0301)H82.O only 0.000 apart, marking (T0301)H82.O as missing WARNING: atoms too close: (T0301)S77.C and (T0301)H82.O only 0.000 apart, marking (T0301)H82.O as missing WARNING: atoms too close: (T0301)S77.O and (T0301)H82.O only 0.000 apart, marking (T0301)H82.O as missing WARNING: atoms too close: (T0301)S77.OG and (T0301)H82.O only 0.000 apart, marking (T0301)H82.O as missing WARNING: atoms too close: (T0301)S77.CB and (T0301)H82.O only 0.000 apart, marking (T0301)H82.O as missing WARNING: atoms too close: (T0301)S77.CA and (T0301)H82.O only 0.000 apart, marking (T0301)H82.O as missing WARNING: atoms too close: (T0301)S77.N and (T0301)H82.O only 0.000 apart, marking (T0301)H82.O as missing WARNING: atoms too close: (T0301)K76.C and (T0301)H82.O only 0.000 apart, marking (T0301)H82.O as missing WARNING: atoms too close: (T0301)K76.O and (T0301)H82.O only 0.000 apart, marking (T0301)H82.O as missing WARNING: atoms too close: (T0301)K76.NZ and (T0301)H82.O only 0.000 apart, marking (T0301)H82.O as missing WARNING: atoms too close: (T0301)K76.CE and (T0301)H82.O only 0.000 apart, marking (T0301)H82.O as missing WARNING: atoms too close: (T0301)K76.CD and (T0301)H82.O only 0.000 apart, marking (T0301)H82.O as missing WARNING: atoms too close: (T0301)K76.CG and (T0301)H82.O only 0.000 apart, marking (T0301)H82.O as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)H82.O only 0.000 apart, marking (T0301)H82.O as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)H82.O only 0.000 apart, marking (T0301)H82.O as missing WARNING: atoms too close: (T0301)K76.N and (T0301)H82.O only 0.000 apart, marking (T0301)H82.O as missing WARNING: atoms too close: (T0301)S75.C and (T0301)H82.O only 0.000 apart, marking (T0301)H82.O as missing WARNING: atoms too close: (T0301)H82.O and (T0301)H82.C only 0.000 apart, marking (T0301)H82.C as missing WARNING: atoms too close: (T0301)H82.NE2 and (T0301)H82.C only 0.000 apart, marking (T0301)H82.C as missing WARNING: atoms too close: (T0301)H82.CE1 and (T0301)H82.C only 0.000 apart, marking (T0301)H82.C as missing WARNING: atoms too close: (T0301)H82.ND1 and (T0301)H82.C only 0.000 apart, marking (T0301)H82.C as missing WARNING: atoms too close: (T0301)H82.CD2 and (T0301)H82.C only 0.000 apart, marking (T0301)H82.C as missing WARNING: atoms too close: (T0301)H82.CG and (T0301)H82.C only 0.000 apart, marking (T0301)H82.C as missing WARNING: atoms too close: (T0301)H82.CB and (T0301)H82.C only 0.000 apart, marking (T0301)H82.C as missing WARNING: atoms too close: (T0301)H82.CA and (T0301)H82.C only 0.000 apart, marking (T0301)H82.C as missing WARNING: atoms too close: (T0301)H82.N and (T0301)H82.C only 0.000 apart, marking (T0301)H82.C as missing WARNING: atoms too close: (T0301)G81.C and (T0301)H82.C only 0.000 apart, marking (T0301)H82.C as missing WARNING: atoms too close: (T0301)G81.O and (T0301)H82.C only 0.000 apart, marking (T0301)H82.C as missing WARNING: atoms too close: (T0301)G81.CA and (T0301)H82.C only 0.000 apart, marking (T0301)H82.C as missing WARNING: atoms too close: (T0301)G81.N and (T0301)H82.C only 0.000 apart, marking (T0301)H82.C as missing WARNING: atoms too close: (T0301)P80.C and (T0301)H82.C only 0.000 apart, marking (T0301)H82.C as missing WARNING: atoms too close: (T0301)P80.O and (T0301)H82.C only 0.000 apart, marking (T0301)H82.C as missing WARNING: atoms too close: (T0301)P80.CD and (T0301)H82.C only 0.000 apart, marking (T0301)H82.C as missing WARNING: atoms too close: (T0301)P80.CG and (T0301)H82.C only 0.000 apart, marking (T0301)H82.C as missing WARNING: atoms too close: (T0301)P80.CB and (T0301)H82.C only 0.000 apart, marking (T0301)H82.C as missing WARNING: atoms too close: (T0301)P80.CA and (T0301)H82.C only 0.000 apart, marking (T0301)H82.C as missing WARNING: atoms too close: (T0301)P80.N and (T0301)H82.C only 0.000 apart, marking (T0301)H82.C as missing WARNING: atoms too close: (T0301)Q79.C and (T0301)H82.C only 0.000 apart, marking (T0301)H82.C as missing WARNING: atoms too close: (T0301)Q79.O and (T0301)H82.C only 0.000 apart, marking (T0301)H82.C as missing WARNING: atoms too close: (T0301)Q79.NE2 and (T0301)H82.C only 0.000 apart, marking (T0301)H82.C as missing WARNING: atoms too close: (T0301)Q79.OE1 and (T0301)H82.C only 0.000 apart, marking (T0301)H82.C as missing WARNING: atoms too close: (T0301)Q79.CD and (T0301)H82.C only 0.000 apart, marking (T0301)H82.C as missing WARNING: atoms too close: (T0301)Q79.CG and (T0301)H82.C only 0.000 apart, marking (T0301)H82.C as missing WARNING: atoms too close: (T0301)Q79.CB and (T0301)H82.C only 0.000 apart, marking (T0301)H82.C as missing WARNING: atoms too close: (T0301)Q79.CA and (T0301)H82.C only 0.000 apart, marking (T0301)H82.C as missing WARNING: atoms too close: (T0301)Q79.N and (T0301)H82.C only 0.000 apart, marking (T0301)H82.C as missing WARNING: atoms too close: (T0301)S78.C and (T0301)H82.C only 0.000 apart, marking (T0301)H82.C as missing WARNING: atoms too close: (T0301)S78.O and (T0301)H82.C only 0.000 apart, marking (T0301)H82.C as missing WARNING: atoms too close: (T0301)S78.OG and (T0301)H82.C only 0.000 apart, marking (T0301)H82.C as missing WARNING: atoms too close: (T0301)S78.CB and (T0301)H82.C only 0.000 apart, marking (T0301)H82.C as missing WARNING: atoms too close: (T0301)S78.CA and (T0301)H82.C only 0.000 apart, marking (T0301)H82.C as missing WARNING: atoms too close: (T0301)S78.N and (T0301)H82.C only 0.000 apart, marking (T0301)H82.C as missing WARNING: atoms too close: (T0301)S77.C and (T0301)H82.C only 0.000 apart, marking (T0301)H82.C as missing WARNING: atoms too close: (T0301)S77.O and (T0301)H82.C only 0.000 apart, marking (T0301)H82.C as missing WARNING: atoms too close: (T0301)S77.OG and (T0301)H82.C only 0.000 apart, marking (T0301)H82.C as missing WARNING: atoms too close: (T0301)S77.CB and (T0301)H82.C only 0.000 apart, marking (T0301)H82.C as missing WARNING: atoms too close: (T0301)S77.CA and (T0301)H82.C only 0.000 apart, marking (T0301)H82.C as missing WARNING: atoms too close: (T0301)S77.N and (T0301)H82.C only 0.000 apart, marking (T0301)H82.C as missing WARNING: atoms too close: (T0301)K76.C and (T0301)H82.C only 0.000 apart, marking (T0301)H82.C as missing WARNING: atoms too close: (T0301)K76.O and (T0301)H82.C only 0.000 apart, marking (T0301)H82.C as missing WARNING: atoms too close: (T0301)K76.NZ and (T0301)H82.C only 0.000 apart, marking (T0301)H82.C as missing WARNING: atoms too close: (T0301)K76.CE and (T0301)H82.C only 0.000 apart, marking (T0301)H82.C as missing WARNING: atoms too close: (T0301)K76.CD and (T0301)H82.C only 0.000 apart, marking (T0301)H82.C as missing WARNING: atoms too close: (T0301)K76.CG and (T0301)H82.C only 0.000 apart, marking (T0301)H82.C as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)H82.C only 0.000 apart, marking (T0301)H82.C as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)H82.C only 0.000 apart, marking (T0301)H82.C as missing WARNING: atoms too close: (T0301)K76.N and (T0301)H82.C only 0.000 apart, marking (T0301)H82.C as missing WARNING: atoms too close: (T0301)S75.C and (T0301)H82.C only 0.000 apart, marking (T0301)H82.C as missing WARNING: atoms too close: (T0301)H82.C and (T0301)D83.N only 0.000 apart, marking (T0301)H82.C as missing WARNING: atoms too close: (T0301)H82.O and (T0301)D83.N only 0.000 apart, marking (T0301)H82.O as missing WARNING: atoms too close: (T0301)H82.NE2 and (T0301)D83.N only 0.000 apart, marking (T0301)H82.NE2 as missing WARNING: atoms too close: (T0301)H82.CE1 and (T0301)D83.N only 0.000 apart, marking (T0301)H82.CE1 as missing WARNING: atoms too close: (T0301)H82.ND1 and (T0301)D83.N only 0.000 apart, marking (T0301)H82.ND1 as missing WARNING: atoms too close: (T0301)H82.CD2 and (T0301)D83.N only 0.000 apart, marking (T0301)H82.CD2 as missing WARNING: atoms too close: (T0301)H82.CG and (T0301)D83.N only 0.000 apart, marking (T0301)H82.CG as missing WARNING: atoms too close: (T0301)H82.CB and (T0301)D83.N only 0.000 apart, marking (T0301)H82.CB as missing WARNING: atoms too close: (T0301)H82.CA and (T0301)D83.N only 0.000 apart, marking (T0301)H82.CA as missing WARNING: atoms too close: (T0301)H82.N and (T0301)D83.N only 0.000 apart, marking (T0301)H82.N as missing WARNING: atoms too close: (T0301)G81.C and (T0301)D83.N only 0.000 apart, marking (T0301)G81.C as missing WARNING: atoms too close: (T0301)G81.O and (T0301)D83.N only 0.000 apart, marking (T0301)G81.O as missing WARNING: atoms too close: (T0301)G81.CA and (T0301)D83.N only 0.000 apart, marking (T0301)G81.CA as missing WARNING: atoms too close: (T0301)G81.N and (T0301)D83.N only 0.000 apart, marking (T0301)G81.N as missing WARNING: atoms too close: (T0301)P80.C and (T0301)D83.N only 0.000 apart, marking (T0301)P80.C as missing WARNING: atoms too close: (T0301)P80.O and (T0301)D83.N only 0.000 apart, marking (T0301)P80.O as missing WARNING: atoms too close: (T0301)P80.CD and (T0301)D83.N only 0.000 apart, marking (T0301)P80.CD as missing WARNING: atoms too close: (T0301)P80.CG and (T0301)D83.N only 0.000 apart, marking (T0301)P80.CG as missing WARNING: atoms too close: (T0301)P80.CB and (T0301)D83.N only 0.000 apart, marking (T0301)P80.CB as missing WARNING: atoms too close: (T0301)P80.CA and (T0301)D83.N only 0.000 apart, marking (T0301)P80.CA as missing WARNING: atoms too close: (T0301)P80.N and (T0301)D83.N only 0.000 apart, marking (T0301)P80.N as missing WARNING: atoms too close: (T0301)Q79.C and (T0301)D83.N only 0.000 apart, marking (T0301)Q79.C as missing WARNING: atoms too close: (T0301)Q79.O and (T0301)D83.N only 0.000 apart, marking (T0301)Q79.O as missing WARNING: atoms too close: (T0301)Q79.NE2 and (T0301)D83.N only 0.000 apart, marking (T0301)Q79.NE2 as missing WARNING: atoms too close: (T0301)Q79.OE1 and (T0301)D83.N only 0.000 apart, marking (T0301)Q79.OE1 as missing WARNING: atoms too close: (T0301)Q79.CD and (T0301)D83.N only 0.000 apart, marking (T0301)Q79.CD as missing WARNING: atoms too close: (T0301)Q79.CG and (T0301)D83.N only 0.000 apart, marking (T0301)Q79.CG as missing WARNING: atoms too close: (T0301)Q79.CB and (T0301)D83.N only 0.000 apart, marking (T0301)Q79.CB as missing WARNING: atoms too close: (T0301)Q79.CA and (T0301)D83.N only 0.000 apart, marking (T0301)Q79.CA as missing WARNING: atoms too close: (T0301)Q79.N and (T0301)D83.N only 0.000 apart, marking (T0301)Q79.N as missing WARNING: atoms too close: (T0301)S78.C and (T0301)D83.N only 0.000 apart, marking (T0301)S78.C as missing WARNING: atoms too close: (T0301)S78.O and (T0301)D83.N only 0.000 apart, marking (T0301)S78.O as missing WARNING: atoms too close: (T0301)S78.OG and (T0301)D83.N only 0.000 apart, marking (T0301)S78.OG as missing WARNING: atoms too close: (T0301)S78.CB and (T0301)D83.N only 0.000 apart, marking (T0301)S78.CB as missing WARNING: atoms too close: (T0301)S78.CA and (T0301)D83.N only 0.000 apart, marking (T0301)S78.CA as missing WARNING: atoms too close: (T0301)S78.N and (T0301)D83.N only 0.000 apart, marking (T0301)S78.N as missing WARNING: atoms too close: (T0301)S77.C and (T0301)D83.N only 0.000 apart, marking (T0301)S77.C as missing WARNING: atoms too close: (T0301)S77.O and (T0301)D83.N only 0.000 apart, marking (T0301)S77.O as missing WARNING: atoms too close: (T0301)S77.OG and (T0301)D83.N only 0.000 apart, marking (T0301)S77.OG as missing WARNING: atoms too close: (T0301)S77.CB and (T0301)D83.N only 0.000 apart, marking (T0301)S77.CB as missing WARNING: atoms too close: (T0301)S77.CA and (T0301)D83.N only 0.000 apart, marking (T0301)S77.CA as missing WARNING: atoms too close: (T0301)S77.N and (T0301)D83.N only 0.000 apart, marking (T0301)S77.N as missing WARNING: atoms too close: (T0301)K76.C and (T0301)D83.N only 0.000 apart, marking (T0301)K76.C as missing WARNING: atoms too close: (T0301)K76.O and (T0301)D83.N only 0.000 apart, marking (T0301)K76.O as missing WARNING: atoms too close: (T0301)K76.NZ and (T0301)D83.N only 0.000 apart, marking (T0301)K76.NZ as missing WARNING: atoms too close: (T0301)K76.CE and (T0301)D83.N only 0.000 apart, marking (T0301)K76.CE as missing WARNING: atoms too close: (T0301)K76.CD and (T0301)D83.N only 0.000 apart, marking (T0301)K76.CD as missing WARNING: atoms too close: (T0301)K76.CG and (T0301)D83.N only 0.000 apart, marking (T0301)K76.CG as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)D83.N only 0.000 apart, marking (T0301)K76.CB as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)D83.N only 0.000 apart, marking (T0301)K76.CA as missing WARNING: atoms too close: (T0301)K76.N and (T0301)D83.N only 0.000 apart, marking (T0301)K76.N as missing WARNING: atoms too close: (T0301)S75.C and (T0301)D83.N only 0.000 apart, marking (T0301)D83.N as missing WARNING: atoms too close: (T0301)D83.N and (T0301)D83.CA only 0.000 apart, marking (T0301)D83.CA as missing WARNING: atoms too close: (T0301)H82.C and (T0301)D83.CA only 0.000 apart, marking (T0301)D83.CA as missing WARNING: atoms too close: (T0301)H82.O and (T0301)D83.CA only 0.000 apart, marking (T0301)D83.CA as missing WARNING: atoms too close: (T0301)H82.NE2 and (T0301)D83.CA only 0.000 apart, marking (T0301)D83.CA as missing WARNING: atoms too close: (T0301)H82.CE1 and (T0301)D83.CA only 0.000 apart, marking (T0301)D83.CA as missing WARNING: atoms too close: (T0301)H82.ND1 and (T0301)D83.CA only 0.000 apart, marking (T0301)D83.CA as missing WARNING: atoms too close: (T0301)H82.CD2 and (T0301)D83.CA only 0.000 apart, marking (T0301)D83.CA as missing WARNING: atoms too close: (T0301)H82.CG and (T0301)D83.CA only 0.000 apart, marking (T0301)D83.CA as missing WARNING: atoms too close: (T0301)H82.CB and (T0301)D83.CA only 0.000 apart, marking (T0301)D83.CA as missing WARNING: atoms too close: (T0301)H82.CA and (T0301)D83.CA only 0.000 apart, marking (T0301)D83.CA as missing WARNING: atoms too close: (T0301)H82.N and (T0301)D83.CA only 0.000 apart, marking (T0301)D83.CA as missing WARNING: atoms too close: (T0301)G81.C and (T0301)D83.CA only 0.000 apart, marking (T0301)D83.CA as missing WARNING: atoms too close: (T0301)G81.O and (T0301)D83.CA only 0.000 apart, marking (T0301)D83.CA as missing WARNING: atoms too close: (T0301)G81.CA and (T0301)D83.CA only 0.000 apart, marking (T0301)D83.CA as missing WARNING: atoms too close: (T0301)G81.N and (T0301)D83.CA only 0.000 apart, marking (T0301)D83.CA as missing WARNING: atoms too close: (T0301)P80.C and (T0301)D83.CA only 0.000 apart, marking (T0301)D83.CA as missing WARNING: atoms too close: (T0301)P80.O and (T0301)D83.CA only 0.000 apart, marking (T0301)D83.CA as missing WARNING: atoms too close: (T0301)P80.CD and (T0301)D83.CA only 0.000 apart, marking (T0301)D83.CA as missing WARNING: atoms too close: (T0301)P80.CG and (T0301)D83.CA only 0.000 apart, marking (T0301)D83.CA as missing WARNING: atoms too close: (T0301)P80.CB and (T0301)D83.CA only 0.000 apart, marking (T0301)D83.CA as missing WARNING: atoms too close: (T0301)P80.CA and (T0301)D83.CA only 0.000 apart, marking (T0301)D83.CA as missing WARNING: atoms too close: (T0301)P80.N and (T0301)D83.CA only 0.000 apart, marking (T0301)D83.CA as missing WARNING: atoms too close: (T0301)Q79.C and (T0301)D83.CA only 0.000 apart, marking (T0301)D83.CA as missing WARNING: atoms too close: (T0301)Q79.O and (T0301)D83.CA only 0.000 apart, marking (T0301)D83.CA as missing WARNING: atoms too close: (T0301)Q79.NE2 and (T0301)D83.CA only 0.000 apart, marking (T0301)D83.CA as missing WARNING: atoms too close: (T0301)Q79.OE1 and (T0301)D83.CA only 0.000 apart, marking (T0301)D83.CA as missing WARNING: atoms too close: (T0301)Q79.CD and (T0301)D83.CA only 0.000 apart, marking (T0301)D83.CA as missing WARNING: atoms too close: (T0301)Q79.CG and (T0301)D83.CA only 0.000 apart, marking (T0301)D83.CA as missing WARNING: atoms too close: (T0301)Q79.CB and (T0301)D83.CA only 0.000 apart, marking (T0301)D83.CA as missing WARNING: atoms too close: (T0301)Q79.CA and (T0301)D83.CA only 0.000 apart, marking (T0301)D83.CA as missing WARNING: atoms too close: (T0301)Q79.N and (T0301)D83.CA only 0.000 apart, marking (T0301)D83.CA as missing WARNING: atoms too close: (T0301)S78.C and (T0301)D83.CA only 0.000 apart, marking (T0301)D83.CA as missing WARNING: atoms too close: (T0301)S78.O and (T0301)D83.CA only 0.000 apart, marking (T0301)D83.CA as missing WARNING: atoms too close: (T0301)S78.OG and (T0301)D83.CA only 0.000 apart, marking (T0301)D83.CA as missing WARNING: atoms too close: (T0301)S78.CB and (T0301)D83.CA only 0.000 apart, marking (T0301)D83.CA as missing WARNING: atoms too close: (T0301)S78.CA and (T0301)D83.CA only 0.000 apart, marking (T0301)D83.CA as missing WARNING: atoms too close: (T0301)S78.N and (T0301)D83.CA only 0.000 apart, marking (T0301)D83.CA as missing WARNING: atoms too close: (T0301)S77.C and (T0301)D83.CA only 0.000 apart, marking (T0301)D83.CA as missing WARNING: atoms too close: (T0301)S77.O and (T0301)D83.CA only 0.000 apart, marking (T0301)D83.CA as missing WARNING: atoms too close: (T0301)S77.OG and (T0301)D83.CA only 0.000 apart, marking (T0301)D83.CA as missing WARNING: atoms too close: (T0301)S77.CB and (T0301)D83.CA only 0.000 apart, marking (T0301)D83.CA as missing WARNING: atoms too close: (T0301)S77.CA and (T0301)D83.CA only 0.000 apart, marking (T0301)D83.CA as missing WARNING: atoms too close: (T0301)S77.N and (T0301)D83.CA only 0.000 apart, marking (T0301)D83.CA as missing WARNING: atoms too close: (T0301)K76.C and (T0301)D83.CA only 0.000 apart, marking (T0301)D83.CA as missing WARNING: atoms too close: (T0301)K76.O and (T0301)D83.CA only 0.000 apart, marking (T0301)D83.CA as missing WARNING: atoms too close: (T0301)K76.NZ and (T0301)D83.CA only 0.000 apart, marking (T0301)D83.CA as missing WARNING: atoms too close: (T0301)K76.CE and (T0301)D83.CA only 0.000 apart, marking (T0301)D83.CA as missing WARNING: atoms too close: (T0301)K76.CD and (T0301)D83.CA only 0.000 apart, marking (T0301)D83.CA as missing WARNING: atoms too close: (T0301)K76.CG and (T0301)D83.CA only 0.000 apart, marking (T0301)D83.CA as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)D83.CA only 0.000 apart, marking (T0301)D83.CA as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)D83.CA only 0.000 apart, marking (T0301)D83.CA as missing WARNING: atoms too close: (T0301)K76.N and (T0301)D83.CA only 0.000 apart, marking (T0301)D83.CA as missing WARNING: atoms too close: (T0301)S75.C and (T0301)D83.CA only 0.000 apart, marking (T0301)D83.CA as missing WARNING: atoms too close: (T0301)D83.CA and (T0301)D83.CB only 0.000 apart, marking (T0301)D83.CB as missing WARNING: atoms too close: (T0301)D83.N and (T0301)D83.CB only 0.000 apart, marking (T0301)D83.CB as missing WARNING: atoms too close: (T0301)H82.C and (T0301)D83.CB only 0.000 apart, marking (T0301)D83.CB as missing WARNING: atoms too close: (T0301)H82.O and (T0301)D83.CB only 0.000 apart, marking (T0301)D83.CB as missing WARNING: atoms too close: (T0301)H82.NE2 and (T0301)D83.CB only 0.000 apart, marking (T0301)D83.CB as missing WARNING: atoms too close: (T0301)H82.CE1 and (T0301)D83.CB only 0.000 apart, marking (T0301)D83.CB as missing WARNING: atoms too close: (T0301)H82.ND1 and (T0301)D83.CB only 0.000 apart, marking (T0301)D83.CB as missing WARNING: atoms too close: (T0301)H82.CD2 and (T0301)D83.CB only 0.000 apart, marking (T0301)D83.CB as missing WARNING: atoms too close: (T0301)H82.CG and (T0301)D83.CB only 0.000 apart, marking (T0301)D83.CB as missing WARNING: atoms too close: (T0301)H82.CB and (T0301)D83.CB only 0.000 apart, marking (T0301)D83.CB as missing WARNING: atoms too close: (T0301)H82.CA and (T0301)D83.CB only 0.000 apart, marking (T0301)D83.CB as missing WARNING: atoms too close: (T0301)H82.N and (T0301)D83.CB only 0.000 apart, marking (T0301)D83.CB as missing WARNING: atoms too close: (T0301)G81.C and (T0301)D83.CB only 0.000 apart, marking (T0301)D83.CB as missing WARNING: atoms too close: (T0301)G81.O and (T0301)D83.CB only 0.000 apart, marking (T0301)D83.CB as missing WARNING: atoms too close: (T0301)G81.CA and (T0301)D83.CB only 0.000 apart, marking (T0301)D83.CB as missing WARNING: atoms too close: (T0301)G81.N and (T0301)D83.CB only 0.000 apart, marking (T0301)D83.CB as missing WARNING: atoms too close: (T0301)P80.C and (T0301)D83.CB only 0.000 apart, marking (T0301)D83.CB as missing WARNING: atoms too close: (T0301)P80.O and (T0301)D83.CB only 0.000 apart, marking (T0301)D83.CB as missing WARNING: atoms too close: (T0301)P80.CD and (T0301)D83.CB only 0.000 apart, marking (T0301)D83.CB as missing WARNING: atoms too close: (T0301)P80.CG and (T0301)D83.CB only 0.000 apart, marking (T0301)D83.CB as missing WARNING: atoms too close: (T0301)P80.CB and (T0301)D83.CB only 0.000 apart, marking (T0301)D83.CB as missing WARNING: atoms too close: (T0301)P80.CA and (T0301)D83.CB only 0.000 apart, marking (T0301)D83.CB as missing WARNING: atoms too close: (T0301)P80.N and (T0301)D83.CB only 0.000 apart, marking (T0301)D83.CB as missing WARNING: atoms too close: (T0301)Q79.C and (T0301)D83.CB only 0.000 apart, marking (T0301)D83.CB as missing WARNING: atoms too close: (T0301)Q79.O and (T0301)D83.CB only 0.000 apart, marking (T0301)D83.CB as missing WARNING: atoms too close: (T0301)Q79.NE2 and (T0301)D83.CB only 0.000 apart, marking (T0301)D83.CB as missing WARNING: atoms too close: (T0301)Q79.OE1 and (T0301)D83.CB only 0.000 apart, marking (T0301)D83.CB as missing WARNING: atoms too close: (T0301)Q79.CD and (T0301)D83.CB only 0.000 apart, marking (T0301)D83.CB as missing WARNING: atoms too close: (T0301)Q79.CG and (T0301)D83.CB only 0.000 apart, marking (T0301)D83.CB as missing WARNING: atoms too close: (T0301)Q79.CB and (T0301)D83.CB only 0.000 apart, marking (T0301)D83.CB as missing WARNING: atoms too close: (T0301)Q79.CA and (T0301)D83.CB only 0.000 apart, marking (T0301)D83.CB as missing WARNING: atoms too close: (T0301)Q79.N and (T0301)D83.CB only 0.000 apart, marking (T0301)D83.CB as missing WARNING: atoms too close: (T0301)S78.C and (T0301)D83.CB only 0.000 apart, marking (T0301)D83.CB as missing WARNING: atoms too close: (T0301)S78.O and (T0301)D83.CB only 0.000 apart, marking (T0301)D83.CB as missing WARNING: atoms too close: (T0301)S78.OG and (T0301)D83.CB only 0.000 apart, marking (T0301)D83.CB as missing WARNING: atoms too close: (T0301)S78.CB and (T0301)D83.CB only 0.000 apart, marking (T0301)D83.CB as missing WARNING: atoms too close: (T0301)S78.CA and (T0301)D83.CB only 0.000 apart, marking (T0301)D83.CB as missing WARNING: atoms too close: (T0301)S78.N and (T0301)D83.CB only 0.000 apart, marking (T0301)D83.CB as missing WARNING: atoms too close: (T0301)S77.C and (T0301)D83.CB only 0.000 apart, marking (T0301)D83.CB as missing WARNING: atoms too close: (T0301)S77.O and (T0301)D83.CB only 0.000 apart, marking (T0301)D83.CB as missing WARNING: atoms too close: (T0301)S77.OG and (T0301)D83.CB only 0.000 apart, marking (T0301)D83.CB as missing WARNING: atoms too close: (T0301)S77.CB and (T0301)D83.CB only 0.000 apart, marking (T0301)D83.CB as missing WARNING: atoms too close: (T0301)S77.CA and (T0301)D83.CB only 0.000 apart, marking (T0301)D83.CB as missing WARNING: atoms too close: (T0301)S77.N and (T0301)D83.CB only 0.000 apart, marking (T0301)D83.CB as missing WARNING: atoms too close: (T0301)K76.C and (T0301)D83.CB only 0.000 apart, marking (T0301)D83.CB as missing WARNING: atoms too close: (T0301)K76.O and (T0301)D83.CB only 0.000 apart, marking (T0301)D83.CB as missing WARNING: atoms too close: (T0301)K76.NZ and (T0301)D83.CB only 0.000 apart, marking (T0301)D83.CB as missing WARNING: atoms too close: (T0301)K76.CE and (T0301)D83.CB only 0.000 apart, marking (T0301)D83.CB as missing WARNING: atoms too close: (T0301)K76.CD and (T0301)D83.CB only 0.000 apart, marking (T0301)D83.CB as missing WARNING: atoms too close: (T0301)K76.CG and (T0301)D83.CB only 0.000 apart, marking (T0301)D83.CB as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)D83.CB only 0.000 apart, marking (T0301)D83.CB as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)D83.CB only 0.000 apart, marking (T0301)D83.CB as missing WARNING: atoms too close: (T0301)K76.N and (T0301)D83.CB only 0.000 apart, marking (T0301)D83.CB as missing WARNING: atoms too close: (T0301)S75.C and (T0301)D83.CB only 0.000 apart, marking (T0301)D83.CB as missing WARNING: atoms too close: (T0301)D83.CB and (T0301)D83.CG only 0.000 apart, marking (T0301)D83.CG as missing WARNING: atoms too close: (T0301)D83.CA and (T0301)D83.CG only 0.000 apart, marking (T0301)D83.CG as missing WARNING: atoms too close: (T0301)D83.N and (T0301)D83.CG only 0.000 apart, marking (T0301)D83.CG as missing WARNING: atoms too close: (T0301)H82.C and (T0301)D83.CG only 0.000 apart, marking (T0301)D83.CG as missing WARNING: atoms too close: (T0301)H82.O and (T0301)D83.CG only 0.000 apart, marking (T0301)D83.CG as missing WARNING: atoms too close: (T0301)H82.NE2 and (T0301)D83.CG only 0.000 apart, marking (T0301)D83.CG as missing WARNING: atoms too close: (T0301)H82.CE1 and (T0301)D83.CG only 0.000 apart, marking (T0301)D83.CG as missing WARNING: atoms too close: (T0301)H82.ND1 and (T0301)D83.CG only 0.000 apart, marking (T0301)D83.CG as missing WARNING: atoms too close: (T0301)H82.CD2 and (T0301)D83.CG only 0.000 apart, marking (T0301)D83.CG as missing WARNING: atoms too close: (T0301)H82.CG and (T0301)D83.CG only 0.000 apart, marking (T0301)D83.CG as missing WARNING: atoms too close: (T0301)H82.CB and (T0301)D83.CG only 0.000 apart, marking (T0301)D83.CG as missing WARNING: atoms too close: (T0301)H82.CA and (T0301)D83.CG only 0.000 apart, marking (T0301)D83.CG as missing WARNING: atoms too close: (T0301)H82.N and (T0301)D83.CG only 0.000 apart, marking (T0301)D83.CG as missing WARNING: atoms too close: (T0301)G81.C and (T0301)D83.CG only 0.000 apart, marking (T0301)D83.CG as missing WARNING: atoms too close: (T0301)G81.O and (T0301)D83.CG only 0.000 apart, marking (T0301)D83.CG as missing WARNING: atoms too close: (T0301)G81.CA and (T0301)D83.CG only 0.000 apart, marking (T0301)D83.CG as missing WARNING: atoms too close: (T0301)G81.N and (T0301)D83.CG only 0.000 apart, marking (T0301)D83.CG as missing WARNING: atoms too close: (T0301)P80.C and (T0301)D83.CG only 0.000 apart, marking (T0301)D83.CG as missing WARNING: atoms too close: (T0301)P80.O and (T0301)D83.CG only 0.000 apart, marking (T0301)D83.CG as missing WARNING: atoms too close: (T0301)P80.CD and (T0301)D83.CG only 0.000 apart, marking (T0301)D83.CG as missing WARNING: atoms too close: (T0301)P80.CG and (T0301)D83.CG only 0.000 apart, marking (T0301)D83.CG as missing WARNING: atoms too close: (T0301)P80.CB and (T0301)D83.CG only 0.000 apart, marking (T0301)D83.CG as missing WARNING: atoms too close: (T0301)P80.CA and (T0301)D83.CG only 0.000 apart, marking (T0301)D83.CG as missing WARNING: atoms too close: (T0301)P80.N and (T0301)D83.CG only 0.000 apart, marking (T0301)D83.CG as missing WARNING: atoms too close: (T0301)Q79.C and (T0301)D83.CG only 0.000 apart, marking (T0301)D83.CG as missing WARNING: atoms too close: (T0301)Q79.O and (T0301)D83.CG only 0.000 apart, marking (T0301)D83.CG as missing WARNING: atoms too close: (T0301)Q79.NE2 and (T0301)D83.CG only 0.000 apart, marking (T0301)D83.CG as missing WARNING: atoms too close: (T0301)Q79.OE1 and (T0301)D83.CG only 0.000 apart, marking (T0301)D83.CG as missing WARNING: atoms too close: (T0301)Q79.CD and (T0301)D83.CG only 0.000 apart, marking (T0301)D83.CG as missing WARNING: atoms too close: (T0301)Q79.CG and (T0301)D83.CG only 0.000 apart, marking (T0301)D83.CG as missing WARNING: atoms too close: (T0301)Q79.CB and (T0301)D83.CG only 0.000 apart, marking (T0301)D83.CG as missing WARNING: atoms too close: (T0301)Q79.CA and (T0301)D83.CG only 0.000 apart, marking (T0301)D83.CG as missing WARNING: atoms too close: (T0301)Q79.N and (T0301)D83.CG only 0.000 apart, marking (T0301)D83.CG as missing WARNING: atoms too close: (T0301)S78.C and (T0301)D83.CG only 0.000 apart, marking (T0301)D83.CG as missing WARNING: atoms too close: (T0301)S78.O and (T0301)D83.CG only 0.000 apart, marking (T0301)D83.CG as missing WARNING: atoms too close: (T0301)S78.OG and (T0301)D83.CG only 0.000 apart, marking (T0301)D83.CG as missing WARNING: atoms too close: (T0301)S78.CB and (T0301)D83.CG only 0.000 apart, marking (T0301)D83.CG as missing WARNING: atoms too close: (T0301)S78.CA and (T0301)D83.CG only 0.000 apart, marking (T0301)D83.CG as missing WARNING: atoms too close: (T0301)S78.N and (T0301)D83.CG only 0.000 apart, marking (T0301)D83.CG as missing WARNING: atoms too close: (T0301)S77.C and (T0301)D83.CG only 0.000 apart, marking (T0301)D83.CG as missing WARNING: atoms too close: (T0301)S77.O and (T0301)D83.CG only 0.000 apart, marking (T0301)D83.CG as missing WARNING: atoms too close: (T0301)S77.OG and (T0301)D83.CG only 0.000 apart, marking (T0301)D83.CG as missing WARNING: atoms too close: (T0301)S77.CB and (T0301)D83.CG only 0.000 apart, marking (T0301)D83.CG as missing WARNING: atoms too close: (T0301)S77.CA and (T0301)D83.CG only 0.000 apart, marking (T0301)D83.CG as missing WARNING: atoms too close: (T0301)S77.N and (T0301)D83.CG only 0.000 apart, marking (T0301)D83.CG as missing WARNING: atoms too close: (T0301)K76.C and (T0301)D83.CG only 0.000 apart, marking (T0301)D83.CG as missing WARNING: atoms too close: (T0301)K76.O and (T0301)D83.CG only 0.000 apart, marking (T0301)D83.CG as missing WARNING: atoms too close: (T0301)K76.NZ and (T0301)D83.CG only 0.000 apart, marking (T0301)D83.CG as missing WARNING: atoms too close: (T0301)K76.CE and (T0301)D83.CG only 0.000 apart, marking (T0301)D83.CG as missing WARNING: atoms too close: (T0301)K76.CD and (T0301)D83.CG only 0.000 apart, marking (T0301)D83.CG as missing WARNING: atoms too close: (T0301)K76.CG and (T0301)D83.CG only 0.000 apart, marking (T0301)D83.CG as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)D83.CG only 0.000 apart, marking (T0301)D83.CG as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)D83.CG only 0.000 apart, marking (T0301)D83.CG as missing WARNING: atoms too close: (T0301)K76.N and (T0301)D83.CG only 0.000 apart, marking (T0301)D83.CG as missing WARNING: atoms too close: (T0301)S75.C and (T0301)D83.CG only 0.000 apart, marking (T0301)D83.CG as missing WARNING: atoms too close: (T0301)D83.CG and (T0301)D83.OD1 only 0.000 apart, marking (T0301)D83.OD1 as missing WARNING: atoms too close: (T0301)D83.CB and (T0301)D83.OD1 only 0.000 apart, marking (T0301)D83.OD1 as missing WARNING: atoms too close: (T0301)D83.CA and (T0301)D83.OD1 only 0.000 apart, marking (T0301)D83.OD1 as missing WARNING: atoms too close: (T0301)D83.N and (T0301)D83.OD1 only 0.000 apart, marking (T0301)D83.OD1 as missing WARNING: atoms too close: (T0301)H82.C and (T0301)D83.OD1 only 0.000 apart, marking (T0301)D83.OD1 as missing WARNING: atoms too close: (T0301)H82.O and (T0301)D83.OD1 only 0.000 apart, marking (T0301)D83.OD1 as missing WARNING: atoms too close: (T0301)H82.NE2 and (T0301)D83.OD1 only 0.000 apart, marking (T0301)D83.OD1 as missing WARNING: atoms too close: (T0301)H82.CE1 and (T0301)D83.OD1 only 0.000 apart, marking (T0301)D83.OD1 as missing WARNING: atoms too close: (T0301)H82.ND1 and (T0301)D83.OD1 only 0.000 apart, marking (T0301)D83.OD1 as missing WARNING: atoms too close: (T0301)H82.CD2 and (T0301)D83.OD1 only 0.000 apart, marking (T0301)D83.OD1 as missing WARNING: atoms too close: (T0301)H82.CG and (T0301)D83.OD1 only 0.000 apart, marking (T0301)D83.OD1 as missing WARNING: atoms too close: (T0301)H82.CB and (T0301)D83.OD1 only 0.000 apart, marking (T0301)D83.OD1 as missing WARNING: atoms too close: (T0301)H82.CA and (T0301)D83.OD1 only 0.000 apart, marking (T0301)D83.OD1 as missing WARNING: atoms too close: (T0301)H82.N and (T0301)D83.OD1 only 0.000 apart, marking (T0301)D83.OD1 as missing WARNING: atoms too close: (T0301)G81.C and (T0301)D83.OD1 only 0.000 apart, marking (T0301)D83.OD1 as missing WARNING: atoms too close: (T0301)G81.O and (T0301)D83.OD1 only 0.000 apart, marking (T0301)D83.OD1 as missing WARNING: atoms too close: (T0301)G81.CA and (T0301)D83.OD1 only 0.000 apart, marking (T0301)D83.OD1 as missing WARNING: atoms too close: (T0301)G81.N and (T0301)D83.OD1 only 0.000 apart, marking (T0301)D83.OD1 as missing WARNING: atoms too close: (T0301)P80.C and (T0301)D83.OD1 only 0.000 apart, marking (T0301)D83.OD1 as missing WARNING: atoms too close: (T0301)P80.O and (T0301)D83.OD1 only 0.000 apart, marking (T0301)D83.OD1 as missing WARNING: atoms too close: (T0301)P80.CD and (T0301)D83.OD1 only 0.000 apart, marking (T0301)D83.OD1 as missing WARNING: atoms too close: (T0301)P80.CG and (T0301)D83.OD1 only 0.000 apart, marking (T0301)D83.OD1 as missing WARNING: atoms too close: (T0301)P80.CB and (T0301)D83.OD1 only 0.000 apart, marking (T0301)D83.OD1 as missing WARNING: atoms too close: (T0301)P80.CA and (T0301)D83.OD1 only 0.000 apart, marking (T0301)D83.OD1 as missing WARNING: atoms too close: (T0301)P80.N and (T0301)D83.OD1 only 0.000 apart, marking (T0301)D83.OD1 as missing WARNING: atoms too close: (T0301)Q79.C and (T0301)D83.OD1 only 0.000 apart, marking (T0301)D83.OD1 as missing WARNING: atoms too close: (T0301)Q79.O and (T0301)D83.OD1 only 0.000 apart, marking (T0301)D83.OD1 as missing WARNING: atoms too close: (T0301)Q79.NE2 and (T0301)D83.OD1 only 0.000 apart, marking (T0301)D83.OD1 as missing WARNING: atoms too close: (T0301)Q79.OE1 and (T0301)D83.OD1 only 0.000 apart, marking (T0301)D83.OD1 as missing WARNING: atoms too close: (T0301)Q79.CD and (T0301)D83.OD1 only 0.000 apart, marking (T0301)D83.OD1 as missing WARNING: atoms too close: (T0301)Q79.CG and (T0301)D83.OD1 only 0.000 apart, marking (T0301)D83.OD1 as missing WARNING: atoms too close: (T0301)Q79.CB and (T0301)D83.OD1 only 0.000 apart, marking (T0301)D83.OD1 as missing WARNING: atoms too close: (T0301)Q79.CA and (T0301)D83.OD1 only 0.000 apart, marking (T0301)D83.OD1 as missing WARNING: atoms too close: (T0301)Q79.N and (T0301)D83.OD1 only 0.000 apart, marking (T0301)D83.OD1 as missing WARNING: atoms too close: (T0301)S78.C and (T0301)D83.OD1 only 0.000 apart, marking (T0301)D83.OD1 as missing WARNING: atoms too close: (T0301)S78.O and (T0301)D83.OD1 only 0.000 apart, marking (T0301)D83.OD1 as missing WARNING: atoms too close: (T0301)S78.OG and (T0301)D83.OD1 only 0.000 apart, marking (T0301)D83.OD1 as missing WARNING: atoms too close: (T0301)S78.CB and (T0301)D83.OD1 only 0.000 apart, marking (T0301)D83.OD1 as missing WARNING: atoms too close: (T0301)S78.CA and (T0301)D83.OD1 only 0.000 apart, marking (T0301)D83.OD1 as missing WARNING: atoms too close: (T0301)S78.N and (T0301)D83.OD1 only 0.000 apart, marking (T0301)D83.OD1 as missing WARNING: atoms too close: (T0301)S77.C and (T0301)D83.OD1 only 0.000 apart, marking (T0301)D83.OD1 as missing WARNING: atoms too close: (T0301)S77.O and (T0301)D83.OD1 only 0.000 apart, marking (T0301)D83.OD1 as missing WARNING: atoms too close: (T0301)S77.OG and (T0301)D83.OD1 only 0.000 apart, marking (T0301)D83.OD1 as missing WARNING: atoms too close: (T0301)S77.CB and (T0301)D83.OD1 only 0.000 apart, marking (T0301)D83.OD1 as missing WARNING: atoms too close: (T0301)S77.CA and (T0301)D83.OD1 only 0.000 apart, marking (T0301)D83.OD1 as missing WARNING: atoms too close: (T0301)S77.N and (T0301)D83.OD1 only 0.000 apart, marking (T0301)D83.OD1 as missing WARNING: atoms too close: (T0301)K76.C and (T0301)D83.OD1 only 0.000 apart, marking (T0301)D83.OD1 as missing WARNING: atoms too close: (T0301)K76.O and (T0301)D83.OD1 only 0.000 apart, marking (T0301)D83.OD1 as missing WARNING: atoms too close: (T0301)K76.NZ and (T0301)D83.OD1 only 0.000 apart, marking (T0301)D83.OD1 as missing WARNING: atoms too close: (T0301)K76.CE and (T0301)D83.OD1 only 0.000 apart, marking (T0301)D83.OD1 as missing WARNING: atoms too close: (T0301)K76.CD and (T0301)D83.OD1 only 0.000 apart, marking (T0301)D83.OD1 as missing WARNING: atoms too close: (T0301)K76.CG and (T0301)D83.OD1 only 0.000 apart, marking (T0301)D83.OD1 as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)D83.OD1 only 0.000 apart, marking (T0301)D83.OD1 as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)D83.OD1 only 0.000 apart, marking (T0301)D83.OD1 as missing WARNING: atoms too close: (T0301)K76.N and (T0301)D83.OD1 only 0.000 apart, marking (T0301)D83.OD1 as missing WARNING: atoms too close: (T0301)S75.C and (T0301)D83.OD1 only 0.000 apart, marking (T0301)D83.OD1 as missing WARNING: atoms too close: (T0301)D83.OD1 and (T0301)D83.OD2 only 0.000 apart, marking (T0301)D83.OD2 as missing WARNING: atoms too close: (T0301)D83.CG and (T0301)D83.OD2 only 0.000 apart, marking (T0301)D83.OD2 as missing WARNING: atoms too close: (T0301)D83.CB and (T0301)D83.OD2 only 0.000 apart, marking (T0301)D83.OD2 as missing WARNING: atoms too close: (T0301)D83.CA and (T0301)D83.OD2 only 0.000 apart, marking (T0301)D83.OD2 as missing WARNING: atoms too close: (T0301)D83.N and (T0301)D83.OD2 only 0.000 apart, marking (T0301)D83.OD2 as missing WARNING: atoms too close: (T0301)H82.C and (T0301)D83.OD2 only 0.000 apart, marking (T0301)D83.OD2 as missing WARNING: atoms too close: (T0301)H82.O and (T0301)D83.OD2 only 0.000 apart, marking (T0301)D83.OD2 as missing WARNING: atoms too close: (T0301)H82.NE2 and (T0301)D83.OD2 only 0.000 apart, marking (T0301)D83.OD2 as missing WARNING: atoms too close: (T0301)H82.CE1 and (T0301)D83.OD2 only 0.000 apart, marking (T0301)D83.OD2 as missing WARNING: atoms too close: (T0301)H82.ND1 and (T0301)D83.OD2 only 0.000 apart, marking (T0301)D83.OD2 as missing WARNING: atoms too close: (T0301)H82.CD2 and (T0301)D83.OD2 only 0.000 apart, marking (T0301)D83.OD2 as missing WARNING: atoms too close: (T0301)H82.CG and (T0301)D83.OD2 only 0.000 apart, marking (T0301)D83.OD2 as missing WARNING: atoms too close: (T0301)H82.CB and (T0301)D83.OD2 only 0.000 apart, marking (T0301)D83.OD2 as missing WARNING: atoms too close: (T0301)H82.CA and (T0301)D83.OD2 only 0.000 apart, marking (T0301)D83.OD2 as missing WARNING: atoms too close: (T0301)H82.N and (T0301)D83.OD2 only 0.000 apart, marking (T0301)D83.OD2 as missing WARNING: atoms too close: (T0301)G81.C and (T0301)D83.OD2 only 0.000 apart, marking (T0301)D83.OD2 as missing WARNING: atoms too close: (T0301)G81.O and (T0301)D83.OD2 only 0.000 apart, marking (T0301)D83.OD2 as missing WARNING: atoms too close: (T0301)G81.CA and (T0301)D83.OD2 only 0.000 apart, marking (T0301)D83.OD2 as missing WARNING: atoms too close: (T0301)G81.N and (T0301)D83.OD2 only 0.000 apart, marking (T0301)D83.OD2 as missing WARNING: atoms too close: (T0301)P80.C and (T0301)D83.OD2 only 0.000 apart, marking (T0301)D83.OD2 as missing WARNING: atoms too close: (T0301)P80.O and (T0301)D83.OD2 only 0.000 apart, marking (T0301)D83.OD2 as missing WARNING: atoms too close: (T0301)P80.CD and (T0301)D83.OD2 only 0.000 apart, marking (T0301)D83.OD2 as missing WARNING: atoms too close: (T0301)P80.CG and (T0301)D83.OD2 only 0.000 apart, marking (T0301)D83.OD2 as missing WARNING: atoms too close: (T0301)P80.CB and (T0301)D83.OD2 only 0.000 apart, marking (T0301)D83.OD2 as missing WARNING: atoms too close: (T0301)P80.CA and (T0301)D83.OD2 only 0.000 apart, marking (T0301)D83.OD2 as missing WARNING: atoms too close: (T0301)P80.N and (T0301)D83.OD2 only 0.000 apart, marking (T0301)D83.OD2 as missing WARNING: atoms too close: (T0301)Q79.C and (T0301)D83.OD2 only 0.000 apart, marking (T0301)D83.OD2 as missing WARNING: atoms too close: (T0301)Q79.O and (T0301)D83.OD2 only 0.000 apart, marking (T0301)D83.OD2 as missing WARNING: atoms too close: (T0301)Q79.NE2 and (T0301)D83.OD2 only 0.000 apart, marking (T0301)D83.OD2 as missing WARNING: atoms too close: (T0301)Q79.OE1 and (T0301)D83.OD2 only 0.000 apart, marking (T0301)D83.OD2 as missing WARNING: atoms too close: (T0301)Q79.CD and (T0301)D83.OD2 only 0.000 apart, marking (T0301)D83.OD2 as missing WARNING: atoms too close: (T0301)Q79.CG and (T0301)D83.OD2 only 0.000 apart, marking (T0301)D83.OD2 as missing WARNING: atoms too close: (T0301)Q79.CB and (T0301)D83.OD2 only 0.000 apart, marking (T0301)D83.OD2 as missing WARNING: atoms too close: (T0301)Q79.CA and (T0301)D83.OD2 only 0.000 apart, marking (T0301)D83.OD2 as missing WARNING: atoms too close: (T0301)Q79.N and (T0301)D83.OD2 only 0.000 apart, marking (T0301)D83.OD2 as missing WARNING: atoms too close: (T0301)S78.C and (T0301)D83.OD2 only 0.000 apart, marking (T0301)D83.OD2 as missing WARNING: atoms too close: (T0301)S78.O and (T0301)D83.OD2 only 0.000 apart, marking (T0301)D83.OD2 as missing WARNING: atoms too close: (T0301)S78.OG and (T0301)D83.OD2 only 0.000 apart, marking (T0301)D83.OD2 as missing WARNING: atoms too close: (T0301)S78.CB and (T0301)D83.OD2 only 0.000 apart, marking (T0301)D83.OD2 as missing WARNING: atoms too close: (T0301)S78.CA and (T0301)D83.OD2 only 0.000 apart, marking (T0301)D83.OD2 as missing WARNING: atoms too close: (T0301)S78.N and (T0301)D83.OD2 only 0.000 apart, marking (T0301)D83.OD2 as missing WARNING: atoms too close: (T0301)S77.C and (T0301)D83.OD2 only 0.000 apart, marking (T0301)D83.OD2 as missing WARNING: atoms too close: (T0301)S77.O and (T0301)D83.OD2 only 0.000 apart, marking (T0301)D83.OD2 as missing WARNING: atoms too close: (T0301)S77.OG and (T0301)D83.OD2 only 0.000 apart, marking (T0301)D83.OD2 as missing WARNING: atoms too close: (T0301)S77.CB and (T0301)D83.OD2 only 0.000 apart, marking (T0301)D83.OD2 as missing WARNING: atoms too close: (T0301)S77.CA and (T0301)D83.OD2 only 0.000 apart, marking (T0301)D83.OD2 as missing WARNING: atoms too close: (T0301)S77.N and (T0301)D83.OD2 only 0.000 apart, marking (T0301)D83.OD2 as missing WARNING: atoms too close: (T0301)K76.C and (T0301)D83.OD2 only 0.000 apart, marking (T0301)D83.OD2 as missing WARNING: atoms too close: (T0301)K76.O and (T0301)D83.OD2 only 0.000 apart, marking (T0301)D83.OD2 as missing WARNING: atoms too close: (T0301)K76.NZ and (T0301)D83.OD2 only 0.000 apart, marking (T0301)D83.OD2 as missing WARNING: atoms too close: (T0301)K76.CE and (T0301)D83.OD2 only 0.000 apart, marking (T0301)D83.OD2 as missing WARNING: atoms too close: (T0301)K76.CD and (T0301)D83.OD2 only 0.000 apart, marking (T0301)D83.OD2 as missing WARNING: atoms too close: (T0301)K76.CG and (T0301)D83.OD2 only 0.000 apart, marking (T0301)D83.OD2 as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)D83.OD2 only 0.000 apart, marking (T0301)D83.OD2 as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)D83.OD2 only 0.000 apart, marking (T0301)D83.OD2 as missing WARNING: atoms too close: (T0301)K76.N and (T0301)D83.OD2 only 0.000 apart, marking (T0301)D83.OD2 as missing WARNING: atoms too close: (T0301)S75.C and (T0301)D83.OD2 only 0.000 apart, marking (T0301)D83.OD2 as missing WARNING: atoms too close: (T0301)D83.OD2 and (T0301)D83.O only 0.000 apart, marking (T0301)D83.O as missing WARNING: atoms too close: (T0301)D83.OD1 and (T0301)D83.O only 0.000 apart, marking (T0301)D83.O as missing WARNING: atoms too close: (T0301)D83.CG and (T0301)D83.O only 0.000 apart, marking (T0301)D83.O as missing WARNING: atoms too close: (T0301)D83.CB and (T0301)D83.O only 0.000 apart, marking (T0301)D83.O as missing WARNING: atoms too close: (T0301)D83.CA and (T0301)D83.O only 0.000 apart, marking (T0301)D83.O as missing WARNING: atoms too close: (T0301)D83.N and (T0301)D83.O only 0.000 apart, marking (T0301)D83.O as missing WARNING: atoms too close: (T0301)H82.C and (T0301)D83.O only 0.000 apart, marking (T0301)D83.O as missing WARNING: atoms too close: (T0301)H82.O and (T0301)D83.O only 0.000 apart, marking (T0301)D83.O as missing WARNING: atoms too close: (T0301)H82.NE2 and (T0301)D83.O only 0.000 apart, marking (T0301)D83.O as missing WARNING: atoms too close: (T0301)H82.CE1 and (T0301)D83.O only 0.000 apart, marking (T0301)D83.O as missing WARNING: atoms too close: (T0301)H82.ND1 and (T0301)D83.O only 0.000 apart, marking (T0301)D83.O as missing WARNING: atoms too close: (T0301)H82.CD2 and (T0301)D83.O only 0.000 apart, marking (T0301)D83.O as missing WARNING: atoms too close: (T0301)H82.CG and (T0301)D83.O only 0.000 apart, marking (T0301)D83.O as missing WARNING: atoms too close: (T0301)H82.CB and (T0301)D83.O only 0.000 apart, marking (T0301)D83.O as missing WARNING: atoms too close: (T0301)H82.CA and (T0301)D83.O only 0.000 apart, marking (T0301)D83.O as missing WARNING: atoms too close: (T0301)H82.N and (T0301)D83.O only 0.000 apart, marking (T0301)D83.O as missing WARNING: atoms too close: (T0301)G81.C and (T0301)D83.O only 0.000 apart, marking (T0301)D83.O as missing WARNING: atoms too close: (T0301)G81.O and (T0301)D83.O only 0.000 apart, marking (T0301)D83.O as missing WARNING: atoms too close: (T0301)G81.CA and (T0301)D83.O only 0.000 apart, marking (T0301)D83.O as missing WARNING: atoms too close: (T0301)G81.N and (T0301)D83.O only 0.000 apart, marking (T0301)D83.O as missing WARNING: atoms too close: (T0301)P80.C and (T0301)D83.O only 0.000 apart, marking (T0301)D83.O as missing WARNING: atoms too close: (T0301)P80.O and (T0301)D83.O only 0.000 apart, marking (T0301)D83.O as missing WARNING: atoms too close: (T0301)P80.CD and (T0301)D83.O only 0.000 apart, marking (T0301)D83.O as missing WARNING: atoms too close: (T0301)P80.CG and (T0301)D83.O only 0.000 apart, marking (T0301)D83.O as missing WARNING: atoms too close: (T0301)P80.CB and (T0301)D83.O only 0.000 apart, marking (T0301)D83.O as missing WARNING: atoms too close: (T0301)P80.CA and (T0301)D83.O only 0.000 apart, marking (T0301)D83.O as missing WARNING: atoms too close: (T0301)P80.N and (T0301)D83.O only 0.000 apart, marking (T0301)D83.O as missing WARNING: atoms too close: (T0301)Q79.C and (T0301)D83.O only 0.000 apart, marking (T0301)D83.O as missing WARNING: atoms too close: (T0301)Q79.O and (T0301)D83.O only 0.000 apart, marking (T0301)D83.O as missing WARNING: atoms too close: (T0301)Q79.NE2 and (T0301)D83.O only 0.000 apart, marking (T0301)D83.O as missing WARNING: atoms too close: (T0301)Q79.OE1 and (T0301)D83.O only 0.000 apart, marking (T0301)D83.O as missing WARNING: atoms too close: (T0301)Q79.CD and (T0301)D83.O only 0.000 apart, marking (T0301)D83.O as missing WARNING: atoms too close: (T0301)Q79.CG and (T0301)D83.O only 0.000 apart, marking (T0301)D83.O as missing WARNING: atoms too close: (T0301)Q79.CB and (T0301)D83.O only 0.000 apart, marking (T0301)D83.O as missing WARNING: atoms too close: (T0301)Q79.CA and (T0301)D83.O only 0.000 apart, marking (T0301)D83.O as missing WARNING: atoms too close: (T0301)Q79.N and (T0301)D83.O only 0.000 apart, marking (T0301)D83.O as missing WARNING: atoms too close: (T0301)S78.C and (T0301)D83.O only 0.000 apart, marking (T0301)D83.O as missing WARNING: atoms too close: (T0301)S78.O and (T0301)D83.O only 0.000 apart, marking (T0301)D83.O as missing WARNING: atoms too close: (T0301)S78.OG and (T0301)D83.O only 0.000 apart, marking (T0301)D83.O as missing WARNING: atoms too close: (T0301)S78.CB and (T0301)D83.O only 0.000 apart, marking (T0301)D83.O as missing WARNING: atoms too close: (T0301)S78.CA and (T0301)D83.O only 0.000 apart, marking (T0301)D83.O as missing WARNING: atoms too close: (T0301)S78.N and (T0301)D83.O only 0.000 apart, marking (T0301)D83.O as missing WARNING: atoms too close: (T0301)S77.C and (T0301)D83.O only 0.000 apart, marking (T0301)D83.O as missing WARNING: atoms too close: (T0301)S77.O and (T0301)D83.O only 0.000 apart, marking (T0301)D83.O as missing WARNING: atoms too close: (T0301)S77.OG and (T0301)D83.O only 0.000 apart, marking (T0301)D83.O as missing WARNING: atoms too close: (T0301)S77.CB and (T0301)D83.O only 0.000 apart, marking (T0301)D83.O as missing WARNING: atoms too close: (T0301)S77.CA and (T0301)D83.O only 0.000 apart, marking (T0301)D83.O as missing WARNING: atoms too close: (T0301)S77.N and (T0301)D83.O only 0.000 apart, marking (T0301)D83.O as missing WARNING: atoms too close: (T0301)K76.C and (T0301)D83.O only 0.000 apart, marking (T0301)D83.O as missing WARNING: atoms too close: (T0301)K76.O and (T0301)D83.O only 0.000 apart, marking (T0301)D83.O as missing WARNING: atoms too close: (T0301)K76.NZ and (T0301)D83.O only 0.000 apart, marking (T0301)D83.O as missing WARNING: atoms too close: (T0301)K76.CE and (T0301)D83.O only 0.000 apart, marking (T0301)D83.O as missing WARNING: atoms too close: (T0301)K76.CD and (T0301)D83.O only 0.000 apart, marking (T0301)D83.O as missing WARNING: atoms too close: (T0301)K76.CG and (T0301)D83.O only 0.000 apart, marking (T0301)D83.O as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)D83.O only 0.000 apart, marking (T0301)D83.O as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)D83.O only 0.000 apart, marking (T0301)D83.O as missing WARNING: atoms too close: (T0301)K76.N and (T0301)D83.O only 0.000 apart, marking (T0301)D83.O as missing WARNING: atoms too close: (T0301)S75.C and (T0301)D83.O only 0.000 apart, marking (T0301)D83.O as missing WARNING: atoms too close: (T0301)D83.O and (T0301)D83.C only 0.000 apart, marking (T0301)D83.C as missing WARNING: atoms too close: (T0301)D83.OD2 and (T0301)D83.C only 0.000 apart, marking (T0301)D83.C as missing WARNING: atoms too close: (T0301)D83.OD1 and (T0301)D83.C only 0.000 apart, marking (T0301)D83.C as missing WARNING: atoms too close: (T0301)D83.CG and (T0301)D83.C only 0.000 apart, marking (T0301)D83.C as missing WARNING: atoms too close: (T0301)D83.CB and (T0301)D83.C only 0.000 apart, marking (T0301)D83.C as missing WARNING: atoms too close: (T0301)D83.CA and (T0301)D83.C only 0.000 apart, marking (T0301)D83.C as missing WARNING: atoms too close: (T0301)D83.N and (T0301)D83.C only 0.000 apart, marking (T0301)D83.C as missing WARNING: atoms too close: (T0301)H82.C and (T0301)D83.C only 0.000 apart, marking (T0301)D83.C as missing WARNING: atoms too close: (T0301)H82.O and (T0301)D83.C only 0.000 apart, marking (T0301)D83.C as missing WARNING: atoms too close: (T0301)H82.NE2 and (T0301)D83.C only 0.000 apart, marking (T0301)D83.C as missing WARNING: atoms too close: (T0301)H82.CE1 and (T0301)D83.C only 0.000 apart, marking (T0301)D83.C as missing WARNING: atoms too close: (T0301)H82.ND1 and (T0301)D83.C only 0.000 apart, marking (T0301)D83.C as missing WARNING: atoms too close: (T0301)H82.CD2 and (T0301)D83.C only 0.000 apart, marking (T0301)D83.C as missing WARNING: atoms too close: (T0301)H82.CG and (T0301)D83.C only 0.000 apart, marking (T0301)D83.C as missing WARNING: atoms too close: (T0301)H82.CB and (T0301)D83.C only 0.000 apart, marking (T0301)D83.C as missing WARNING: atoms too close: (T0301)H82.CA and (T0301)D83.C only 0.000 apart, marking (T0301)D83.C as missing WARNING: atoms too close: (T0301)H82.N and (T0301)D83.C only 0.000 apart, marking (T0301)D83.C as missing WARNING: atoms too close: (T0301)G81.C and (T0301)D83.C only 0.000 apart, marking (T0301)D83.C as missing WARNING: atoms too close: (T0301)G81.O and (T0301)D83.C only 0.000 apart, marking (T0301)D83.C as missing WARNING: atoms too close: (T0301)G81.CA and (T0301)D83.C only 0.000 apart, marking (T0301)D83.C as missing WARNING: atoms too close: (T0301)G81.N and (T0301)D83.C only 0.000 apart, marking (T0301)D83.C as missing WARNING: atoms too close: (T0301)P80.C and (T0301)D83.C only 0.000 apart, marking (T0301)D83.C as missing WARNING: atoms too close: (T0301)P80.O and (T0301)D83.C only 0.000 apart, marking (T0301)D83.C as missing WARNING: atoms too close: (T0301)P80.CD and (T0301)D83.C only 0.000 apart, marking (T0301)D83.C as missing WARNING: atoms too close: (T0301)P80.CG and (T0301)D83.C only 0.000 apart, marking (T0301)D83.C as missing WARNING: atoms too close: (T0301)P80.CB and (T0301)D83.C only 0.000 apart, marking (T0301)D83.C as missing WARNING: atoms too close: (T0301)P80.CA and (T0301)D83.C only 0.000 apart, marking (T0301)D83.C as missing WARNING: atoms too close: (T0301)P80.N and (T0301)D83.C only 0.000 apart, marking (T0301)D83.C as missing WARNING: atoms too close: (T0301)Q79.C and (T0301)D83.C only 0.000 apart, marking (T0301)D83.C as missing WARNING: atoms too close: (T0301)Q79.O and (T0301)D83.C only 0.000 apart, marking (T0301)D83.C as missing WARNING: atoms too close: (T0301)Q79.NE2 and (T0301)D83.C only 0.000 apart, marking (T0301)D83.C as missing WARNING: atoms too close: (T0301)Q79.OE1 and (T0301)D83.C only 0.000 apart, marking (T0301)D83.C as missing WARNING: atoms too close: (T0301)Q79.CD and (T0301)D83.C only 0.000 apart, marking (T0301)D83.C as missing WARNING: atoms too close: (T0301)Q79.CG and (T0301)D83.C only 0.000 apart, marking (T0301)D83.C as missing WARNING: atoms too close: (T0301)Q79.CB and (T0301)D83.C only 0.000 apart, marking (T0301)D83.C as missing WARNING: atoms too close: (T0301)Q79.CA and (T0301)D83.C only 0.000 apart, marking (T0301)D83.C as missing WARNING: atoms too close: (T0301)Q79.N and (T0301)D83.C only 0.000 apart, marking (T0301)D83.C as missing WARNING: atoms too close: (T0301)S78.C and (T0301)D83.C only 0.000 apart, marking (T0301)D83.C as missing WARNING: atoms too close: (T0301)S78.O and (T0301)D83.C only 0.000 apart, marking (T0301)D83.C as missing WARNING: atoms too close: (T0301)S78.OG and (T0301)D83.C only 0.000 apart, marking (T0301)D83.C as missing WARNING: atoms too close: (T0301)S78.CB and (T0301)D83.C only 0.000 apart, marking (T0301)D83.C as missing WARNING: atoms too close: (T0301)S78.CA and (T0301)D83.C only 0.000 apart, marking (T0301)D83.C as missing WARNING: atoms too close: (T0301)S78.N and (T0301)D83.C only 0.000 apart, marking (T0301)D83.C as missing WARNING: atoms too close: (T0301)S77.C and (T0301)D83.C only 0.000 apart, marking (T0301)D83.C as missing WARNING: atoms too close: (T0301)S77.O and (T0301)D83.C only 0.000 apart, marking (T0301)D83.C as missing WARNING: atoms too close: (T0301)S77.OG and (T0301)D83.C only 0.000 apart, marking (T0301)D83.C as missing WARNING: atoms too close: (T0301)S77.CB and (T0301)D83.C only 0.000 apart, marking (T0301)D83.C as missing WARNING: atoms too close: (T0301)S77.CA and (T0301)D83.C only 0.000 apart, marking (T0301)D83.C as missing WARNING: atoms too close: (T0301)S77.N and (T0301)D83.C only 0.000 apart, marking (T0301)D83.C as missing WARNING: atoms too close: (T0301)K76.C and (T0301)D83.C only 0.000 apart, marking (T0301)D83.C as missing WARNING: atoms too close: (T0301)K76.O and (T0301)D83.C only 0.000 apart, marking (T0301)D83.C as missing WARNING: atoms too close: (T0301)K76.NZ and (T0301)D83.C only 0.000 apart, marking (T0301)D83.C as missing WARNING: atoms too close: (T0301)K76.CE and (T0301)D83.C only 0.000 apart, marking (T0301)D83.C as missing WARNING: atoms too close: (T0301)K76.CD and (T0301)D83.C only 0.000 apart, marking (T0301)D83.C as missing WARNING: atoms too close: (T0301)K76.CG and (T0301)D83.C only 0.000 apart, marking (T0301)D83.C as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)D83.C only 0.000 apart, marking (T0301)D83.C as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)D83.C only 0.000 apart, marking (T0301)D83.C as missing WARNING: atoms too close: (T0301)K76.N and (T0301)D83.C only 0.000 apart, marking (T0301)D83.C as missing WARNING: atoms too close: (T0301)S75.C and (T0301)D83.C only 0.000 apart, marking (T0301)D83.C as missing WARNING: atoms too close: (T0301)D83.C and (T0301)V84.N only 0.000 apart, marking (T0301)D83.C as missing WARNING: atoms too close: (T0301)D83.O and (T0301)V84.N only 0.000 apart, marking (T0301)D83.O as missing WARNING: atoms too close: (T0301)D83.OD2 and (T0301)V84.N only 0.000 apart, marking (T0301)D83.OD2 as missing WARNING: atoms too close: (T0301)D83.OD1 and (T0301)V84.N only 0.000 apart, marking (T0301)D83.OD1 as missing WARNING: atoms too close: (T0301)D83.CG and (T0301)V84.N only 0.000 apart, marking (T0301)D83.CG as missing WARNING: atoms too close: (T0301)D83.CB and (T0301)V84.N only 0.000 apart, marking (T0301)D83.CB as missing WARNING: atoms too close: (T0301)D83.CA and (T0301)V84.N only 0.000 apart, marking (T0301)D83.CA as missing WARNING: atoms too close: (T0301)D83.N and (T0301)V84.N only 0.000 apart, marking (T0301)D83.N as missing WARNING: atoms too close: (T0301)H82.C and (T0301)V84.N only 0.000 apart, marking (T0301)H82.C as missing WARNING: atoms too close: (T0301)H82.O and (T0301)V84.N only 0.000 apart, marking (T0301)H82.O as missing WARNING: atoms too close: (T0301)H82.NE2 and (T0301)V84.N only 0.000 apart, marking (T0301)H82.NE2 as missing WARNING: atoms too close: (T0301)H82.CE1 and (T0301)V84.N only 0.000 apart, marking (T0301)H82.CE1 as missing WARNING: atoms too close: (T0301)H82.ND1 and (T0301)V84.N only 0.000 apart, marking (T0301)H82.ND1 as missing WARNING: atoms too close: (T0301)H82.CD2 and (T0301)V84.N only 0.000 apart, marking (T0301)H82.CD2 as missing WARNING: atoms too close: (T0301)H82.CG and (T0301)V84.N only 0.000 apart, marking (T0301)H82.CG as missing WARNING: atoms too close: (T0301)H82.CB and (T0301)V84.N only 0.000 apart, marking (T0301)H82.CB as missing WARNING: atoms too close: (T0301)H82.CA and (T0301)V84.N only 0.000 apart, marking (T0301)H82.CA as missing WARNING: atoms too close: (T0301)H82.N and (T0301)V84.N only 0.000 apart, marking (T0301)H82.N as missing WARNING: atoms too close: (T0301)G81.C and (T0301)V84.N only 0.000 apart, marking (T0301)G81.C as missing WARNING: atoms too close: (T0301)G81.O and (T0301)V84.N only 0.000 apart, marking (T0301)G81.O as missing WARNING: atoms too close: (T0301)G81.CA and (T0301)V84.N only 0.000 apart, marking (T0301)G81.CA as missing WARNING: atoms too close: (T0301)G81.N and (T0301)V84.N only 0.000 apart, marking (T0301)G81.N as missing WARNING: atoms too close: (T0301)P80.C and (T0301)V84.N only 0.000 apart, marking (T0301)P80.C as missing WARNING: atoms too close: (T0301)P80.O and (T0301)V84.N only 0.000 apart, marking (T0301)P80.O as missing WARNING: atoms too close: (T0301)P80.CD and (T0301)V84.N only 0.000 apart, marking (T0301)P80.CD as missing WARNING: atoms too close: (T0301)P80.CG and (T0301)V84.N only 0.000 apart, marking (T0301)P80.CG as missing WARNING: atoms too close: (T0301)P80.CB and (T0301)V84.N only 0.000 apart, marking (T0301)P80.CB as missing WARNING: atoms too close: (T0301)P80.CA and (T0301)V84.N only 0.000 apart, marking (T0301)P80.CA as missing WARNING: atoms too close: (T0301)P80.N and (T0301)V84.N only 0.000 apart, marking (T0301)P80.N as missing WARNING: atoms too close: (T0301)Q79.C and (T0301)V84.N only 0.000 apart, marking (T0301)Q79.C as missing WARNING: atoms too close: (T0301)Q79.O and (T0301)V84.N only 0.000 apart, marking (T0301)Q79.O as missing WARNING: atoms too close: (T0301)Q79.NE2 and (T0301)V84.N only 0.000 apart, marking (T0301)Q79.NE2 as missing WARNING: atoms too close: (T0301)Q79.OE1 and (T0301)V84.N only 0.000 apart, marking (T0301)Q79.OE1 as missing WARNING: atoms too close: (T0301)Q79.CD and (T0301)V84.N only 0.000 apart, marking (T0301)Q79.CD as missing WARNING: atoms too close: (T0301)Q79.CG and (T0301)V84.N only 0.000 apart, marking (T0301)Q79.CG as missing WARNING: atoms too close: (T0301)Q79.CB and (T0301)V84.N only 0.000 apart, marking (T0301)Q79.CB as missing WARNING: atoms too close: (T0301)Q79.CA and (T0301)V84.N only 0.000 apart, marking (T0301)Q79.CA as missing WARNING: atoms too close: (T0301)Q79.N and (T0301)V84.N only 0.000 apart, marking (T0301)Q79.N as missing WARNING: atoms too close: (T0301)S78.C and (T0301)V84.N only 0.000 apart, marking (T0301)S78.C as missing WARNING: atoms too close: (T0301)S78.O and (T0301)V84.N only 0.000 apart, marking (T0301)S78.O as missing WARNING: atoms too close: (T0301)S78.OG and (T0301)V84.N only 0.000 apart, marking (T0301)S78.OG as missing WARNING: atoms too close: (T0301)S78.CB and (T0301)V84.N only 0.000 apart, marking (T0301)S78.CB as missing WARNING: atoms too close: (T0301)S78.CA and (T0301)V84.N only 0.000 apart, marking (T0301)S78.CA as missing WARNING: atoms too close: (T0301)S78.N and (T0301)V84.N only 0.000 apart, marking (T0301)S78.N as missing WARNING: atoms too close: (T0301)S77.C and (T0301)V84.N only 0.000 apart, marking (T0301)S77.C as missing WARNING: atoms too close: (T0301)S77.O and (T0301)V84.N only 0.000 apart, marking (T0301)S77.O as missing WARNING: atoms too close: (T0301)S77.OG and (T0301)V84.N only 0.000 apart, marking (T0301)S77.OG as missing WARNING: atoms too close: (T0301)S77.CB and (T0301)V84.N only 0.000 apart, marking (T0301)S77.CB as missing WARNING: atoms too close: (T0301)S77.CA and (T0301)V84.N only 0.000 apart, marking (T0301)S77.CA as missing WARNING: atoms too close: (T0301)S77.N and (T0301)V84.N only 0.000 apart, marking (T0301)S77.N as missing WARNING: atoms too close: (T0301)K76.C and (T0301)V84.N only 0.000 apart, marking (T0301)K76.C as missing WARNING: atoms too close: (T0301)K76.O and (T0301)V84.N only 0.000 apart, marking (T0301)K76.O as missing WARNING: atoms too close: (T0301)K76.NZ and (T0301)V84.N only 0.000 apart, marking (T0301)K76.NZ as missing WARNING: atoms too close: (T0301)K76.CE and (T0301)V84.N only 0.000 apart, marking (T0301)K76.CE as missing WARNING: atoms too close: (T0301)K76.CD and (T0301)V84.N only 0.000 apart, marking (T0301)K76.CD as missing WARNING: atoms too close: (T0301)K76.CG and (T0301)V84.N only 0.000 apart, marking (T0301)K76.CG as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)V84.N only 0.000 apart, marking (T0301)K76.CB as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)V84.N only 0.000 apart, marking (T0301)K76.CA as missing WARNING: atoms too close: (T0301)K76.N and (T0301)V84.N only 0.000 apart, marking (T0301)K76.N as missing WARNING: atoms too close: (T0301)S75.C and (T0301)V84.N only 0.000 apart, marking (T0301)V84.N as missing WARNING: atoms too close: (T0301)V84.N and (T0301)V84.CA only 0.000 apart, marking (T0301)V84.CA as missing WARNING: atoms too close: (T0301)D83.C and (T0301)V84.CA only 0.000 apart, marking (T0301)V84.CA as missing WARNING: atoms too close: (T0301)D83.O and (T0301)V84.CA only 0.000 apart, marking (T0301)V84.CA as missing WARNING: atoms too close: (T0301)D83.OD2 and (T0301)V84.CA only 0.000 apart, marking (T0301)V84.CA as missing WARNING: atoms too close: (T0301)D83.OD1 and (T0301)V84.CA only 0.000 apart, marking (T0301)V84.CA as missing WARNING: atoms too close: (T0301)D83.CG and (T0301)V84.CA only 0.000 apart, marking (T0301)V84.CA as missing WARNING: atoms too close: (T0301)D83.CB and (T0301)V84.CA only 0.000 apart, marking (T0301)V84.CA as missing WARNING: atoms too close: (T0301)D83.CA and (T0301)V84.CA only 0.000 apart, marking (T0301)V84.CA as missing WARNING: atoms too close: (T0301)D83.N and (T0301)V84.CA only 0.000 apart, marking (T0301)V84.CA as missing WARNING: atoms too close: (T0301)H82.C and (T0301)V84.CA only 0.000 apart, marking (T0301)V84.CA as missing WARNING: atoms too close: (T0301)H82.O and (T0301)V84.CA only 0.000 apart, marking (T0301)V84.CA as missing WARNING: atoms too close: (T0301)H82.NE2 and (T0301)V84.CA only 0.000 apart, marking (T0301)V84.CA as missing WARNING: atoms too close: (T0301)H82.CE1 and (T0301)V84.CA only 0.000 apart, marking (T0301)V84.CA as missing WARNING: atoms too close: (T0301)H82.ND1 and (T0301)V84.CA only 0.000 apart, marking (T0301)V84.CA as missing WARNING: atoms too close: (T0301)H82.CD2 and (T0301)V84.CA only 0.000 apart, marking (T0301)V84.CA as missing WARNING: atoms too close: (T0301)H82.CG and (T0301)V84.CA only 0.000 apart, marking (T0301)V84.CA as missing WARNING: atoms too close: (T0301)H82.CB and (T0301)V84.CA only 0.000 apart, marking (T0301)V84.CA as missing WARNING: atoms too close: (T0301)H82.CA and (T0301)V84.CA only 0.000 apart, marking (T0301)V84.CA as missing WARNING: atoms too close: (T0301)H82.N and (T0301)V84.CA only 0.000 apart, marking (T0301)V84.CA as missing WARNING: atoms too close: (T0301)G81.C and (T0301)V84.CA only 0.000 apart, marking (T0301)V84.CA as missing WARNING: atoms too close: (T0301)G81.O and (T0301)V84.CA only 0.000 apart, marking (T0301)V84.CA as missing WARNING: atoms too close: (T0301)G81.CA and (T0301)V84.CA only 0.000 apart, marking (T0301)V84.CA as missing WARNING: atoms too close: (T0301)G81.N and (T0301)V84.CA only 0.000 apart, marking (T0301)V84.CA as missing WARNING: atoms too close: (T0301)P80.C and (T0301)V84.CA only 0.000 apart, marking (T0301)V84.CA as missing WARNING: atoms too close: (T0301)P80.O and (T0301)V84.CA only 0.000 apart, marking (T0301)V84.CA as missing WARNING: atoms too close: (T0301)P80.CD and (T0301)V84.CA only 0.000 apart, marking (T0301)V84.CA as missing WARNING: atoms too close: (T0301)P80.CG and (T0301)V84.CA only 0.000 apart, marking (T0301)V84.CA as missing WARNING: atoms too close: (T0301)P80.CB and (T0301)V84.CA only 0.000 apart, marking (T0301)V84.CA as missing WARNING: atoms too close: (T0301)P80.CA and (T0301)V84.CA only 0.000 apart, marking (T0301)V84.CA as missing WARNING: atoms too close: (T0301)P80.N and (T0301)V84.CA only 0.000 apart, marking (T0301)V84.CA as missing WARNING: atoms too close: (T0301)Q79.C and (T0301)V84.CA only 0.000 apart, marking (T0301)V84.CA as missing WARNING: atoms too close: (T0301)Q79.O and (T0301)V84.CA only 0.000 apart, marking (T0301)V84.CA as missing WARNING: atoms too close: (T0301)Q79.NE2 and (T0301)V84.CA only 0.000 apart, marking (T0301)V84.CA as missing WARNING: atoms too close: (T0301)Q79.OE1 and (T0301)V84.CA only 0.000 apart, marking (T0301)V84.CA as missing WARNING: atoms too close: (T0301)Q79.CD and (T0301)V84.CA only 0.000 apart, marking (T0301)V84.CA as missing WARNING: atoms too close: (T0301)Q79.CG and (T0301)V84.CA only 0.000 apart, marking (T0301)V84.CA as missing WARNING: atoms too close: (T0301)Q79.CB and (T0301)V84.CA only 0.000 apart, marking (T0301)V84.CA as missing WARNING: atoms too close: (T0301)Q79.CA and (T0301)V84.CA only 0.000 apart, marking (T0301)V84.CA as missing WARNING: atoms too close: (T0301)Q79.N and (T0301)V84.CA only 0.000 apart, marking (T0301)V84.CA as missing WARNING: atoms too close: (T0301)S78.C and (T0301)V84.CA only 0.000 apart, marking (T0301)V84.CA as missing WARNING: atoms too close: (T0301)S78.O and (T0301)V84.CA only 0.000 apart, marking (T0301)V84.CA as missing WARNING: atoms too close: (T0301)S78.OG and (T0301)V84.CA only 0.000 apart, marking (T0301)V84.CA as missing WARNING: atoms too close: (T0301)S78.CB and (T0301)V84.CA only 0.000 apart, marking (T0301)V84.CA as missing WARNING: atoms too close: (T0301)S78.CA and (T0301)V84.CA only 0.000 apart, marking (T0301)V84.CA as missing WARNING: atoms too close: (T0301)S78.N and (T0301)V84.CA only 0.000 apart, marking (T0301)V84.CA as missing WARNING: atoms too close: (T0301)S77.C and (T0301)V84.CA only 0.000 apart, marking (T0301)V84.CA as missing WARNING: atoms too close: (T0301)S77.O and (T0301)V84.CA only 0.000 apart, marking (T0301)V84.CA as missing WARNING: atoms too close: (T0301)S77.OG and (T0301)V84.CA only 0.000 apart, marking (T0301)V84.CA as missing WARNING: atoms too close: (T0301)S77.CB and (T0301)V84.CA only 0.000 apart, marking (T0301)V84.CA as missing WARNING: atoms too close: (T0301)S77.CA and (T0301)V84.CA only 0.000 apart, marking (T0301)V84.CA as missing WARNING: atoms too close: (T0301)S77.N and (T0301)V84.CA only 0.000 apart, marking (T0301)V84.CA as missing WARNING: atoms too close: (T0301)K76.C and (T0301)V84.CA only 0.000 apart, marking (T0301)V84.CA as missing WARNING: atoms too close: (T0301)K76.O and (T0301)V84.CA only 0.000 apart, marking (T0301)V84.CA as missing WARNING: atoms too close: (T0301)K76.NZ and (T0301)V84.CA only 0.000 apart, marking (T0301)V84.CA as missing WARNING: atoms too close: (T0301)K76.CE and (T0301)V84.CA only 0.000 apart, marking (T0301)V84.CA as missing WARNING: atoms too close: (T0301)K76.CD and (T0301)V84.CA only 0.000 apart, marking (T0301)V84.CA as missing WARNING: atoms too close: (T0301)K76.CG and (T0301)V84.CA only 0.000 apart, marking (T0301)V84.CA as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)V84.CA only 0.000 apart, marking (T0301)V84.CA as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)V84.CA only 0.000 apart, marking (T0301)V84.CA as missing WARNING: atoms too close: (T0301)K76.N and (T0301)V84.CA only 0.000 apart, marking (T0301)V84.CA as missing WARNING: atoms too close: (T0301)S75.C and (T0301)V84.CA only 0.000 apart, marking (T0301)V84.CA as missing WARNING: atoms too close: (T0301)V84.CA and (T0301)V84.CB only 0.000 apart, marking (T0301)V84.CB as missing WARNING: atoms too close: (T0301)V84.N and (T0301)V84.CB only 0.000 apart, marking (T0301)V84.CB as missing WARNING: atoms too close: (T0301)D83.C and (T0301)V84.CB only 0.000 apart, marking (T0301)V84.CB as missing WARNING: atoms too close: (T0301)D83.O and (T0301)V84.CB only 0.000 apart, marking (T0301)V84.CB as missing WARNING: atoms too close: (T0301)D83.OD2 and (T0301)V84.CB only 0.000 apart, marking (T0301)V84.CB as missing WARNING: atoms too close: (T0301)D83.OD1 and (T0301)V84.CB only 0.000 apart, marking (T0301)V84.CB as missing WARNING: atoms too close: (T0301)D83.CG and (T0301)V84.CB only 0.000 apart, marking (T0301)V84.CB as missing WARNING: atoms too close: (T0301)D83.CB and (T0301)V84.CB only 0.000 apart, marking (T0301)V84.CB as missing WARNING: atoms too close: (T0301)D83.CA and (T0301)V84.CB only 0.000 apart, marking (T0301)V84.CB as missing WARNING: atoms too close: (T0301)D83.N and (T0301)V84.CB only 0.000 apart, marking (T0301)V84.CB as missing WARNING: atoms too close: (T0301)H82.C and (T0301)V84.CB only 0.000 apart, marking (T0301)V84.CB as missing WARNING: atoms too close: (T0301)H82.O and (T0301)V84.CB only 0.000 apart, marking (T0301)V84.CB as missing WARNING: atoms too close: (T0301)H82.NE2 and (T0301)V84.CB only 0.000 apart, marking (T0301)V84.CB as missing WARNING: atoms too close: (T0301)H82.CE1 and (T0301)V84.CB only 0.000 apart, marking (T0301)V84.CB as missing WARNING: atoms too close: (T0301)H82.ND1 and (T0301)V84.CB only 0.000 apart, marking (T0301)V84.CB as missing WARNING: atoms too close: (T0301)H82.CD2 and (T0301)V84.CB only 0.000 apart, marking (T0301)V84.CB as missing WARNING: atoms too close: (T0301)H82.CG and (T0301)V84.CB only 0.000 apart, marking (T0301)V84.CB as missing WARNING: atoms too close: (T0301)H82.CB and (T0301)V84.CB only 0.000 apart, marking (T0301)V84.CB as missing WARNING: atoms too close: (T0301)H82.CA and (T0301)V84.CB only 0.000 apart, marking (T0301)V84.CB as missing WARNING: atoms too close: (T0301)H82.N and (T0301)V84.CB only 0.000 apart, marking (T0301)V84.CB as missing WARNING: atoms too close: (T0301)G81.C and (T0301)V84.CB only 0.000 apart, marking (T0301)V84.CB as missing WARNING: atoms too close: (T0301)G81.O and (T0301)V84.CB only 0.000 apart, marking (T0301)V84.CB as missing WARNING: atoms too close: (T0301)G81.CA and (T0301)V84.CB only 0.000 apart, marking (T0301)V84.CB as missing WARNING: atoms too close: (T0301)G81.N and (T0301)V84.CB only 0.000 apart, marking (T0301)V84.CB as missing WARNING: atoms too close: (T0301)P80.C and (T0301)V84.CB only 0.000 apart, marking (T0301)V84.CB as missing WARNING: atoms too close: (T0301)P80.O and (T0301)V84.CB only 0.000 apart, marking (T0301)V84.CB as missing WARNING: atoms too close: (T0301)P80.CD and (T0301)V84.CB only 0.000 apart, marking (T0301)V84.CB as missing WARNING: atoms too close: (T0301)P80.CG and (T0301)V84.CB only 0.000 apart, marking (T0301)V84.CB as missing WARNING: atoms too close: (T0301)P80.CB and (T0301)V84.CB only 0.000 apart, marking (T0301)V84.CB as missing WARNING: atoms too close: (T0301)P80.CA and (T0301)V84.CB only 0.000 apart, marking (T0301)V84.CB as missing WARNING: atoms too close: (T0301)P80.N and (T0301)V84.CB only 0.000 apart, marking (T0301)V84.CB as missing WARNING: atoms too close: (T0301)Q79.C and (T0301)V84.CB only 0.000 apart, marking (T0301)V84.CB as missing WARNING: atoms too close: (T0301)Q79.O and (T0301)V84.CB only 0.000 apart, marking (T0301)V84.CB as missing WARNING: atoms too close: (T0301)Q79.NE2 and (T0301)V84.CB only 0.000 apart, marking (T0301)V84.CB as missing WARNING: atoms too close: (T0301)Q79.OE1 and (T0301)V84.CB only 0.000 apart, marking (T0301)V84.CB as missing WARNING: atoms too close: (T0301)Q79.CD and (T0301)V84.CB only 0.000 apart, marking (T0301)V84.CB as missing WARNING: atoms too close: (T0301)Q79.CG and (T0301)V84.CB only 0.000 apart, marking (T0301)V84.CB as missing WARNING: atoms too close: (T0301)Q79.CB and (T0301)V84.CB only 0.000 apart, marking (T0301)V84.CB as missing WARNING: atoms too close: (T0301)Q79.CA and (T0301)V84.CB only 0.000 apart, marking (T0301)V84.CB as missing WARNING: atoms too close: (T0301)Q79.N and (T0301)V84.CB only 0.000 apart, marking (T0301)V84.CB as missing WARNING: atoms too close: (T0301)S78.C and (T0301)V84.CB only 0.000 apart, marking (T0301)V84.CB as missing WARNING: atoms too close: (T0301)S78.O and (T0301)V84.CB only 0.000 apart, marking (T0301)V84.CB as missing WARNING: atoms too close: (T0301)S78.OG and (T0301)V84.CB only 0.000 apart, marking (T0301)V84.CB as missing WARNING: atoms too close: (T0301)S78.CB and (T0301)V84.CB only 0.000 apart, marking (T0301)V84.CB as missing WARNING: atoms too close: (T0301)S78.CA and (T0301)V84.CB only 0.000 apart, marking (T0301)V84.CB as missing WARNING: atoms too close: (T0301)S78.N and (T0301)V84.CB only 0.000 apart, marking (T0301)V84.CB as missing WARNING: atoms too close: (T0301)S77.C and (T0301)V84.CB only 0.000 apart, marking (T0301)V84.CB as missing WARNING: atoms too close: (T0301)S77.O and (T0301)V84.CB only 0.000 apart, marking (T0301)V84.CB as missing WARNING: atoms too close: (T0301)S77.OG and (T0301)V84.CB only 0.000 apart, marking (T0301)V84.CB as missing WARNING: atoms too close: (T0301)S77.CB and (T0301)V84.CB only 0.000 apart, marking (T0301)V84.CB as missing WARNING: atoms too close: (T0301)S77.CA and (T0301)V84.CB only 0.000 apart, marking (T0301)V84.CB as missing WARNING: atoms too close: (T0301)S77.N and (T0301)V84.CB only 0.000 apart, marking (T0301)V84.CB as missing WARNING: atoms too close: (T0301)K76.C and (T0301)V84.CB only 0.000 apart, marking (T0301)V84.CB as missing WARNING: atoms too close: (T0301)K76.O and (T0301)V84.CB only 0.000 apart, marking (T0301)V84.CB as missing WARNING: atoms too close: (T0301)K76.NZ and (T0301)V84.CB only 0.000 apart, marking (T0301)V84.CB as missing WARNING: atoms too close: (T0301)K76.CE and (T0301)V84.CB only 0.000 apart, marking (T0301)V84.CB as missing WARNING: atoms too close: (T0301)K76.CD and (T0301)V84.CB only 0.000 apart, marking (T0301)V84.CB as missing WARNING: atoms too close: (T0301)K76.CG and (T0301)V84.CB only 0.000 apart, marking (T0301)V84.CB as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)V84.CB only 0.000 apart, marking (T0301)V84.CB as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)V84.CB only 0.000 apart, marking (T0301)V84.CB as missing WARNING: atoms too close: (T0301)K76.N and (T0301)V84.CB only 0.000 apart, marking (T0301)V84.CB as missing WARNING: atoms too close: (T0301)S75.C and (T0301)V84.CB only 0.000 apart, marking (T0301)V84.CB as missing WARNING: atoms too close: (T0301)V84.CB and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)V84.CA and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)V84.N and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)D83.C and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)D83.O and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)D83.OD2 and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)D83.OD1 and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)D83.CG and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)D83.CB and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)D83.CA and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)D83.N and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)H82.C and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)H82.O and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)H82.NE2 and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)H82.CE1 and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)H82.ND1 and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)H82.CD2 and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)H82.CG and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)H82.CB and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)H82.CA and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)H82.N and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)G81.C and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)G81.O and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)G81.CA and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)G81.N and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)P80.C and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)P80.O and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)P80.CD and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)P80.CG and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)P80.CB and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)P80.CA and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)P80.N and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)Q79.C and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)Q79.O and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)Q79.NE2 and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)Q79.OE1 and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)Q79.CD and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)Q79.CG and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)Q79.CB and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)Q79.CA and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)Q79.N and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)S78.C and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)S78.O and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)S78.OG and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)S78.CB and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)S78.CA and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)S78.N and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)S77.C and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)S77.O and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)S77.OG and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)S77.CB and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)S77.CA and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)S77.N and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)K76.C and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)K76.O and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)K76.NZ and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)K76.CE and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)K76.CD and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)K76.CG and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)K76.N and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)S75.C and (T0301)V84.CG1 only 0.000 apart, marking (T0301)V84.CG1 as missing WARNING: atoms too close: (T0301)V84.CG1 and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)V84.CB and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)V84.CA and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)V84.N and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)D83.C and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)D83.O and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)D83.OD2 and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)D83.OD1 and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)D83.CG and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)D83.CB and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)D83.CA and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)D83.N and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)H82.C and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)H82.O and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)H82.NE2 and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)H82.CE1 and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)H82.ND1 and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)H82.CD2 and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)H82.CG and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)H82.CB and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)H82.CA and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)H82.N and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)G81.C and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)G81.O and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)G81.CA and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)G81.N and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)P80.C and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)P80.O and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)P80.CD and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)P80.CG and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)P80.CB and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)P80.CA and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)P80.N and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)Q79.C and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)Q79.O and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)Q79.NE2 and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)Q79.OE1 and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)Q79.CD and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)Q79.CG and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)Q79.CB and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)Q79.CA and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)Q79.N and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)S78.C and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)S78.O and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)S78.OG and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)S78.CB and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)S78.CA and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)S78.N and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)S77.C and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)S77.O and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)S77.OG and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)S77.CB and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)S77.CA and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)S77.N and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)K76.C and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)K76.O and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)K76.NZ and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)K76.CE and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)K76.CD and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)K76.CG and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)K76.N and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)S75.C and (T0301)V84.CG2 only 0.000 apart, marking (T0301)V84.CG2 as missing WARNING: atoms too close: (T0301)V84.CG2 and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)V84.CG1 and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)V84.CB and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)V84.CA and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)V84.N and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)D83.C and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)D83.O and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)D83.OD2 and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)D83.OD1 and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)D83.CG and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)D83.CB and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)D83.CA and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)D83.N and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)H82.C and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)H82.O and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)H82.NE2 and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)H82.CE1 and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)H82.ND1 and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)H82.CD2 and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)H82.CG and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)H82.CB and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)H82.CA and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)H82.N and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)G81.C and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)G81.O and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)G81.CA and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)G81.N and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)P80.C and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)P80.O and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)P80.CD and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)P80.CG and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)P80.CB and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)P80.CA and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)P80.N and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)Q79.C and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)Q79.O and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)Q79.NE2 and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)Q79.OE1 and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)Q79.CD and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)Q79.CG and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)Q79.CB and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)Q79.CA and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)Q79.N and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)S78.C and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)S78.O and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)S78.OG and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)S78.CB and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)S78.CA and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)S78.N and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)S77.C and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)S77.O and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)S77.OG and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)S77.CB and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)S77.CA and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)S77.N and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)K76.C and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)K76.O and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)K76.NZ and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)K76.CE and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)K76.CD and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)K76.CG and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)K76.N and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)S75.C and (T0301)V84.O only 0.000 apart, marking (T0301)V84.O as missing WARNING: atoms too close: (T0301)V84.O and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)V84.CG2 and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)V84.CG1 and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)V84.CB and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)V84.CA and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)V84.N and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)D83.C and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)D83.O and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)D83.OD2 and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)D83.OD1 and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)D83.CG and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)D83.CB and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)D83.CA and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)D83.N and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)H82.C and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)H82.O and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)H82.NE2 and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)H82.CE1 and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)H82.ND1 and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)H82.CD2 and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)H82.CG and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)H82.CB and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)H82.CA and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)H82.N and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)G81.C and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)G81.O and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)G81.CA and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)G81.N and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)P80.C and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)P80.O and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)P80.CD and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)P80.CG and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)P80.CB and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)P80.CA and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)P80.N and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)Q79.C and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)Q79.O and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)Q79.NE2 and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)Q79.OE1 and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)Q79.CD and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)Q79.CG and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)Q79.CB and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)Q79.CA and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)Q79.N and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)S78.C and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)S78.O and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)S78.OG and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)S78.CB and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)S78.CA and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)S78.N and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)S77.C and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)S77.O and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)S77.OG and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)S77.CB and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)S77.CA and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)S77.N and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)K76.C and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)K76.O and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)K76.NZ and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)K76.CE and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)K76.CD and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)K76.CG and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)K76.CB and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)K76.CA and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)K76.N and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing WARNING: atoms too close: (T0301)S75.C and (T0301)V84.C only 0.000 apart, marking (T0301)V84.C as missing # WARNING: incomplete conformation T0301 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # ReadConformPDB reading from PDB file servers/Distill_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0301 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 T0301 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 T0301 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 T0301 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 T0301 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 371 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # ReadConformPDB reading from PDB file servers/FAMSD_TS2.pdb.gz looking for model 1 # Found a chain break before 388 # 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 T0301 can't currently be optimized by undertaker # naming current conformation FAMSD_TS3 # ReadConformPDB reading from PDB file servers/FAMSD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0301 can't currently be optimized by undertaker # naming current conformation FAMSD_TS4 # ReadConformPDB reading from PDB file servers/FAMSD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0301 can't currently be optimized by undertaker # naming current conformation FAMSD_TS5 # ReadConformPDB reading from PDB file servers/FAMS_TS1.pdb.gz looking for model 1 # Found a chain break before 391 # 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 391 # 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 391 # 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 392 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # ReadConformPDB reading from PDB file servers/FAMS_TS5.pdb.gz looking for model 1 # Found a chain break before 388 # 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 304 # 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 281 # 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 334 # 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 350 # 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 389 # 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 T0301 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # ReadConformPDB reading from PDB file servers/FORTE1_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0301 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # ReadConformPDB reading from PDB file servers/FORTE1_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0301 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # ReadConformPDB reading from PDB file servers/FORTE1_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0301 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # ReadConformPDB reading from PDB file servers/FORTE1_AL5.pdb.gz looking for model 1 Skipped atom 587, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 589, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 591, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 593, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 595, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 597, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 599, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 601, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 603, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 605, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 607, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 609, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 751, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 1223, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 1225, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 1227, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 1229, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 1231, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 1233, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 1235, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 1237, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 1239, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 1241, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 1243, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 1245, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 1247, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 1249, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 1251, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 1253, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 1255, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz # WARNING: incomplete conformation T0301 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 T0301 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 T0301 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 T0301 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # ReadConformPDB reading from PDB file servers/FORTE2_AL4.pdb.gz looking for model 1 Skipped atom 587, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 589, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 591, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 593, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 595, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 597, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 599, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 601, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 603, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 605, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 607, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 609, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 751, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 1223, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 1225, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 1227, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 1229, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 1231, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 1233, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 1235, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 1237, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 1239, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 1241, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 1243, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 1245, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 1247, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 1249, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 1251, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 1253, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 1255, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz # WARNING: incomplete conformation T0301 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # ReadConformPDB reading from PDB file servers/FORTE2_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0301 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS1.pdb.gz looking for model 1 # Found a chain break before 393 # 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 394 # 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 383 # 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 392 # 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 390 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0301 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS1 # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0301 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS2 # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0301 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS3 # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0301 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS4 # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0301 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 T0301 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 T0301 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # ReadConformPDB reading from PDB file servers/FUGUE_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0301 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 T0301 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 T0301 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 391 # 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 391 # 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 389 # 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 388 # 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 392 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # Found a chain break before 369 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS1 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS2.pdb.gz looking for model 1 # Found a chain break before 388 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # Found a chain break before 378 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS3 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # Found a chain break before 379 # 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 377 # 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 301 # 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 314 # 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 314 # 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 T0301 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 T0301 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 T0301 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 T0301 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 T0301 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # ReadConformPDB reading from PDB file servers/LOOPP_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0301 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # ReadConformPDB reading from PDB file servers/LOOPP_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0301 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # ReadConformPDB reading from PDB file servers/LOOPP_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0301 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # ReadConformPDB reading from PDB file servers/LOOPP_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0301 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # ReadConformPDB reading from PDB file servers/LOOPP_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0301 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # Found a chain break before 372 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS2.pdb.gz looking for model 1 # Found a chain break before 373 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS3.pdb.gz looking for model 1 # Found a chain break before 355 # 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 284 # 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 336 # 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 389 # 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 388 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # ReadConformPDB reading from PDB file servers/MetaTasser_TS3.pdb.gz looking for model 1 # Found a chain break before 394 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # ReadConformPDB reading from PDB file servers/MetaTasser_TS4.pdb.gz looking for model 1 # Found a chain break before 394 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # ReadConformPDB reading from PDB file servers/MetaTasser_TS5.pdb.gz looking for model 1 # Found a chain break before 392 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0301 can't currently be optimized by undertaker # naming current conformation NN_PUT_lab_TS1 # ReadConformPDB reading from PDB file servers/POMYSL_TS1.pdb.gz looking for model 1 # Found a chain break before 388 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS1 # ReadConformPDB reading from PDB file servers/POMYSL_TS2.pdb.gz looking for model 1 WARNING: atom 1 has residue number 146 < previous residue 395 in servers/POMYSL_TS2.pdb.gz # WARNING: incomplete conformation T0301 can't currently be optimized by undertaker # naming current conformation POMYSL_TS2 # ReadConformPDB reading from PDB file servers/POMYSL_TS3.pdb.gz looking for model 1 WARNING: atom 1 has residue number 6 < previous residue 390 in servers/POMYSL_TS3.pdb.gz # WARNING: incomplete conformation T0301 can't currently be optimized by undertaker # naming current conformation POMYSL_TS3 # ReadConformPDB reading from PDB file servers/POMYSL_TS4.pdb.gz looking for model 1 WARNING: atom 1 has residue number 24 < previous residue 395 in servers/POMYSL_TS4.pdb.gz # WARNING: incomplete conformation T0301 can't currently be optimized by undertaker # naming current conformation POMYSL_TS4 # ReadConformPDB reading from PDB file servers/POMYSL_TS5.pdb.gz looking for model 1 WARNING: atom 1 has residue number 20 < previous residue 395 in servers/POMYSL_TS5.pdb.gz # WARNING: incomplete conformation T0301 can't currently be optimized by undertaker # naming current conformation POMYSL_TS5 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS1.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS1 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS2.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS2 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS3.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS3 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS4.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS4 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS5.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS5 # ReadConformPDB reading from PDB file servers/PROTINFO_TS1.pdb.gz looking for model 1 # Found a chain break before 368 # 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 373 # 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 371 # 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 351 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS4 # ReadConformPDB reading from PDB file servers/PROTINFO_TS5.pdb.gz looking for model 1 # naming current conformation PROTINFO_TS5 # ReadConformPDB reading from PDB file servers/Pcons6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0301 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # ReadConformPDB reading from PDB file servers/Pcons6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0301 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # ReadConformPDB reading from PDB file servers/Pcons6_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0301 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 # Found a chain break before 332 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS4 # ReadConformPDB reading from PDB file servers/Pcons6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0301 can't currently be optimized by undertaker # naming current conformation Pcons6_TS5 # ReadConformPDB reading from PDB file servers/Phyre-1_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0301 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # ReadConformPDB reading from PDB file servers/Phyre-2_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0301 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS1 # ReadConformPDB reading from PDB file servers/Phyre-2_TS2.pdb.gz looking for model 1 # Found a chain break before 393 # 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 T0301 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS3 # ReadConformPDB reading from PDB file servers/Phyre-2_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0301 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS4 # ReadConformPDB reading from PDB file servers/Phyre-2_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0301 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS5 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0301 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS1 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0301 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS2 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS3.pdb.gz looking for model 1 # Found a chain break before 332 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS3 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0301 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS4 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0301 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS5 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS1.pdb.gz looking for model 1 # Found a chain break before 369 # 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 333 # 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 373 # 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 359 # 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 303 # 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 330 # 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 373 # 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 392 # 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 394 # 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 390 # 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 315 # 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 375 # 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 188 # 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 306 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # ReadConformPDB reading from PDB file servers/RAPTOR_TS5.pdb.gz looking for model 1 # Found a chain break before 384 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # ReadConformPDB reading from PDB file servers/ROBETTA_TS1.pdb.gz looking for model 1 # Found a chain break before 386 # 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 386 # 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 334 # 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 337 # 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 386 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # ReadConformPDB reading from PDB file servers/SAM-T02_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0301 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 T0301 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 T0301 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 T0301 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 T0301 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 T0301 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 T0301 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 T0301 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 T0301 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 T0301 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 385 # 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 T0301 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 T0301 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 T0301 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 T0301 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 333 # 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 333 # 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 360 # 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 354 # 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 390 # 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 313 # 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 278 # 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 336 # 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 388 # 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 337 # 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 343 # 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 350 # 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 357 # 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 333 # 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 T0301 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 T0301 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 T0301 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 T0301 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # ReadConformPDB reading from PDB file servers/UNI-EID_expm_TS1.pdb.gz looking for model 1 WARNING: atoms too close: (T0301)S50.CA and (T0301)H57.CA only 0.000 apart, marking (T0301)H57.CA as missing WARNING: atoms too close: (T0301)P51.CA and (T0301)I58.CA only 0.000 apart, marking (T0301)I58.CA as missing WARNING: atoms too close: (T0301)Y88.CA and (T0301)I93.CA only 0.000 apart, marking (T0301)I93.CA as missing WARNING: atoms too close: (T0301)G89.CA and (T0301)D94.CA only 0.000 apart, marking (T0301)D94.CA as missing WARNING: atoms too close: (T0301)V98.CA and (T0301)S101.CA only 0.000 apart, marking (T0301)S101.CA as missing WARNING: atoms too close: (T0301)D99.CA and (T0301)G102.CA only 0.000 apart, marking (T0301)D99.CA as missing WARNING: atoms too close: (T0301)F169.CA and (T0301)V175.CA only 0.000 apart, marking (T0301)V175.CA as missing WARNING: atoms too close: (T0301)P170.CA and (T0301)L176.CA only 0.000 apart, marking (T0301)L176.CA as missing WARNING: atoms too close: (T0301)A171.CA and (T0301)E177.CA only 0.000 apart, marking (T0301)E177.CA as missing WARNING: atoms too close: (T0301)S182.CA and (T0301)P193.CA only 0.000 apart, marking (T0301)P193.CA as missing WARNING: atoms too close: (T0301)D183.CA and (T0301)T194.CA only 0.000 apart, marking (T0301)T194.CA as missing WARNING: atoms too close: (T0301)D184.CA and (T0301)G195.CA only 0.000 apart, marking (T0301)D184.CA as missing WARNING: atoms too close: (T0301)E227.CA and (T0301)R231.CA only 0.000 apart, marking (T0301)R231.CA as missing WARNING: atoms too close: (T0301)I228.CA and (T0301)G232.CA only 0.000 apart, marking (T0301)I228.CA as missing WARNING: atoms too close: (T0301)T233.CA and (T0301)N240.CA only 0.000 apart, marking (T0301)N240.CA as missing WARNING: atoms too close: (T0301)E234.CA and (T0301)G241.N only 0.000 apart, marking (T0301)E234.CA as missing WARNING: atoms too close: (T0301)G241.N and (T0301)G241.CA only 0.000 apart, marking (T0301)G241.CA as missing WARNING: atoms too close: (T0301)E234.CA and (T0301)G241.CA only 0.000 apart, marking (T0301)G241.CA as missing WARNING: atoms too close: (T0301)G241.CA and (T0301)G241.C only 0.000 apart, marking (T0301)G241.C as missing WARNING: atoms too close: (T0301)G241.N and (T0301)G241.C only 0.000 apart, marking (T0301)G241.C as missing WARNING: atoms too close: (T0301)E234.CA and (T0301)G241.C only 0.000 apart, marking (T0301)G241.C as missing WARNING: atoms too close: (T0301)N240.CA and (T0301)D242.CA only 0.000 apart, marking (T0301)D242.CA as missing WARNING: atoms too close: (T0301)T233.CA and (T0301)D242.CA only 0.000 apart, marking (T0301)D242.CA as missing # WARNING: incomplete conformation T0301 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0301 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 T0301 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 T0301 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 T0301 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # ReadConformPDB reading from PDB file servers/Zhang-Server_TS1.pdb.gz looking for model 1 # Found a chain break before 379 # 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 375 # 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 366 # 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 351 # 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 341 # 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 # WARNING: incomplete conformation T0301 can't currently be optimized by undertaker # naming current conformation beautshot_TS1 # ReadConformPDB reading from PDB file servers/beautshotbase_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0301 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # ReadConformPDB reading from PDB file servers/forecast-s_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0301 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # ReadConformPDB reading from PDB file servers/forecast-s_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0301 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 T0301 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # ReadConformPDB reading from PDB file servers/forecast-s_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0301 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # ReadConformPDB reading from PDB file servers/forecast-s_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0301 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # ReadConformPDB reading from PDB file servers/gtg_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0301 can't currently be optimized by undertaker # naming current conformation gtg_AL1 # ReadConformPDB reading from PDB file servers/gtg_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0301 can't currently be optimized by undertaker # naming current conformation gtg_AL2 # ReadConformPDB reading from PDB file servers/gtg_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0301 can't currently be optimized by undertaker # naming current conformation gtg_AL3 # ReadConformPDB reading from PDB file servers/gtg_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0301 can't currently be optimized by undertaker # naming current conformation gtg_AL4 # ReadConformPDB reading from PDB file servers/gtg_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0301 can't currently be optimized by undertaker # naming current conformation gtg_AL5 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # Found a chain break before 357 # 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 261 # 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 334 # 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 352 # 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 283 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS1.pdb.gz looking for model 1 WARNING: atoms too close: (T0301)Y230.O and (T0301)R231.N only 0.000 apart, marking (T0301)R231.N as missing # WARNING: incomplete conformation T0301 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS2.pdb.gz looking for model 1 WARNING: atoms too close: (T0301)V203.O and (T0301)P204.N only 0.000 apart, marking (T0301)P204.N as missing # WARNING: incomplete conformation T0301 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 392 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS4.pdb.gz looking for model 1 WARNING: atoms too close: (T0301)R305.O and (T0301)A306.N only 0.000 apart, marking (T0301)A306.N as missing WARNING: atoms too close: (T0301)H351.O and (T0301)P352.N only 0.000 apart, marking (T0301)P352.N as missing # WARNING: incomplete conformation T0301 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS5.pdb.gz looking for model 1 WARNING: atoms too close: (T0301)I7.O and (T0301)R8.N only 0.000 apart, marking (T0301)R8.N as missing WARNING: atoms too close: (T0301)I9.O and (T0301)P10.N only 0.000 apart, marking (T0301)P10.N as missing WARNING: atoms too close: (T0301)E27.O and (T0301)D28.N only 0.000 apart, marking (T0301)D28.N as missing WARNING: atoms too close: (T0301)P30.O and (T0301)E31.N only 0.000 apart, marking (T0301)E31.N as missing # WARNING: incomplete conformation T0301 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # ReadConformPDB reading from PDB file servers/karypis.srv_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0301 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # ReadConformPDB reading from PDB file servers/karypis.srv_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0301 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # ReadConformPDB reading from PDB file servers/karypis.srv_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0301 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS3 # ReadConformPDB reading from PDB file servers/karypis.srv_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0301 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # ReadConformPDB reading from PDB file servers/karypis.srv_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0301 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # Found a chain break before 384 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS1 # ReadConformPDB reading from PDB file servers/keasar-server_TS2.pdb.gz looking for model 1 # Found a chain break before 389 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS2 # ReadConformPDB reading from PDB file servers/keasar-server_TS3.pdb.gz looking for model 1 # Found a chain break before 390 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS3 # ReadConformPDB reading from PDB file servers/keasar-server_TS4.pdb.gz looking for model 1 # Found a chain break before 384 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS4 # ReadConformPDB reading from PDB file servers/keasar-server_TS5.pdb.gz looking for model 1 # Found a chain break before 384 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS5 # ReadConformPDB reading from PDB file servers/mGen-3D_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0301 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 T0301 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: atom 1 has residue number 5 < previous residue 395 in servers/nFOLD_TS2.pdb.gz # WARNING: incomplete conformation T0301 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 T0301 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # ReadConformPDB reading from PDB file servers/nFOLD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0301 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 T0301 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: incomplete conformation T0301 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0301 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation shub_TS1 # command:Using radius: 8.0000 Using models AND alignments for constraints model score 0.7283 model score 0.2731 model score 0.2327 model score 0.4857 model score 0.3589 model score 0.4661 model score 0.4685 model score 0.4697 model score 0.4633 model score 0.4645 model score 1.8983 model score 1.8985 model score 0.4344 model score 1.8988 model score 1.8983 model score 0.4362 model score 1.6091 model score 1.7220 model score 1.1778 model score 1.0279 model score 1.4771 model score 1.4600 model score 2.0867 model score 1.6745 model score 1.8698 model score 1.7853 model score 1.7498 model score 1.7920 model score 1.7217 model score 1.9198 model score 0.4257 model score 1.1420 model score 0.9865 model score 0.9314 model score 0.5764 model score 0.9286 model score 0.5575 model score 0.9002 model score 0.6037 model score 1.4890 model score 1.5790 model score 1.9908 model score 1.5639 model score 1.2804 model score 1.2848 model score 1.2798 model score 1.2849 model score 1.2807 model score 0.9314 model score 0.9286 model score 1.0592 model score 1.0530 model score 1.1627 model score 0.7668 model score 0.5764 model score 0.3972 model score 0.7216 model score 0.9286 model score 1.4771 model score 1.7105 model score 2.0141 model score 1.7164 model score 1.7165 model score 1.2772 model score 1.2911 model score 1.2944 model score 1.2793 model score 1.2882 model score 1.2944 model score 1.2793 model score 1.2650 model score 1.2882 model score 1.2913 model score 2.3826 model score 2.5268 model score 2.4061 model score 2.4069 model score 2.5258 model score 1.1914 model score 1.0145 model score 1.5718 model score 2.6721 model score 1.3463 model score 1.2714 model score 1.2755 model score 1.2807 model score 1.2892 model score 1.2771 model score 0.5613 model score 0.3972 model score 0.9590 model score 0.4552 model score 0.7216 model score 0.9509 model score 1.1774 model score 0.9661 model score 0.6447 model score 1.5960 model score 0.6557 model score 0.7470 model score 0.7470 model score 1.3413 model score 1.2494 model score 1.3020 model score 1.3965 model score 1.4005 model score 1.8777 model score 1.9498 model score 1.8086 model score 1.8227 model score 2.0908 model score 0.4850 model score 0.5012 model score 0.6533 model score 2.1712 model score 1.0723 model score 0.2113 model score 0.1931 model score 0.2077 model score 0.3022 model score 0.2243 model score 1.8777 model score 2.0956 model score 2.2163 model score 1.2771 model score 1.9009 model score 1.8886 model score 1.2861 model score 1.3423 model score 1.3018 model score 1.3267 model score 1.3168 model score 1.0841 model score 1.1158 model score 1.0298 model score 0.9842 model score 1.3423 model score 1.0443 model score 1.1272 model score 0.8959 model score 0.5694 model score 0.8037 model score 0.9054 model score 1.0272 model score 1.2872 model score 1.2126 model score 1.0855 model score 1.4363 model score 0.5596 model score 1.0443 model score 0.5694 model score 1.1272 model score 0.9239 model score 0.4636 model score 0.5431 model score 1.0717 model score 0.6290 model score 0.7343 model score 0.5248 model score 0.4342 model score 0.4994 model score 0.5741 model score 0.5501 model score 0.4582 model score 0.4394 model score 1.2928 model score 0.3793 model score 0.3318 model score 0.6530 model score 0.6460 model score 0.8056 model score 0.7949 model score 0.7199 model score 1.2685 model score 1.2734 model score 1.2765 model score 1.2756 model score 1.2677 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 0.6650 model score 0.3820 model score 0.6894 model score 0.4875 model score 0.3811 model score 0.5431 model score 1.0166 model score 1.1171 model score 1.0694 model score 0.9798 model score 0.6068 model score 0.4142 model score 0.7691 model score 0.8223 model score 1.1419 model score 0.9179 model score 0.6708 model score 0.6189 model score 0.7003 model score 0.6599 model score 1.2671 model score 1.2705 model score 1.2726 model score 1.2680 model score 0.2589 model score 1.2735 model score 1.2738 model score 1.2770 model score 1.2771 model score 0.3916 model score 0.4664 model score 0.9176 model score 0.8147 model score 0.8321 model score 0.5107 model score 0.7365 model score 1.2803 model score 1.2773 model score 1.2771 model score 1.2799 model score 1.2801 model score 1.2779 model score 1.2779 model score 1.2771 model score 1.2776 model score 1.2775 model score 0.7578 model score 1.9841 model score 1.1262 model score 1.9287 model score 2.0764 model score 2.4976 model score 2.5371 model score 2.4885 model score 2.4819 model score 2.6505 model score 0.6939 model score 1.7374 model score 1.5964 model score 1.5615 model score 1.6129 model score 1.0891 model score 1.1653 model score 1.0239 model score 1.1559 model score 1.0389 model score 0.6268 model score 0.9468 model score 0.9641 model score 0.7920 model score 0.4794 model score 0.6466 model score 1.3644 model score 0.6578 USE_META, weight: 0.8057 cost: 0.7283 min: 0.1931 max: 2.6721 USE_META, weight: 0.9710 cost: 0.2731 min: 0.1931 max: 2.6721 USE_META, weight: 0.9856 cost: 0.2327 min: 0.1931 max: 2.6721 USE_META, weight: 0.8938 cost: 0.4857 min: 0.1931 max: 2.6721 USE_META, weight: 0.9398 cost: 0.3589 min: 0.1931 max: 2.6721 USE_META, weight: 0.9009 cost: 0.4661 min: 0.1931 max: 2.6721 USE_META, weight: 0.9000 cost: 0.4685 min: 0.1931 max: 2.6721 USE_META, weight: 0.8996 cost: 0.4697 min: 0.1931 max: 2.6721 USE_META, weight: 0.9019 cost: 0.4633 min: 0.1931 max: 2.6721 USE_META, weight: 0.9015 cost: 0.4645 min: 0.1931 max: 2.6721 USE_META, weight: 0.3809 cost: 1.8983 min: 0.1931 max: 2.6721 USE_META, weight: 0.3809 cost: 1.8985 min: 0.1931 max: 2.6721 USE_META, weight: 0.9124 cost: 0.4344 min: 0.1931 max: 2.6721 USE_META, weight: 0.3807 cost: 1.8988 min: 0.1931 max: 2.6721 USE_META, weight: 0.3809 cost: 1.8983 min: 0.1931 max: 2.6721 USE_META, weight: 0.9117 cost: 0.4362 min: 0.1931 max: 2.6721 USE_META, weight: 0.4859 cost: 1.6091 min: 0.1931 max: 2.6721 USE_META, weight: 0.4449 cost: 1.7220 min: 0.1931 max: 2.6721 USE_META, weight: 0.6425 cost: 1.1778 min: 0.1931 max: 2.6721 USE_META, weight: 0.6969 cost: 1.0279 min: 0.1931 max: 2.6721 USE_META, weight: 0.5339 cost: 1.4771 min: 0.1931 max: 2.6721 USE_META, weight: 0.5400 cost: 1.4600 min: 0.1931 max: 2.6721 USE_META, weight: 0.3125 cost: 2.0867 min: 0.1931 max: 2.6721 USE_META, weight: 0.4622 cost: 1.6745 min: 0.1931 max: 2.6721 USE_META, weight: 0.3913 cost: 1.8698 min: 0.1931 max: 2.6721 USE_META, weight: 0.4219 cost: 1.7853 min: 0.1931 max: 2.6721 USE_META, weight: 0.4348 cost: 1.7498 min: 0.1931 max: 2.6721 USE_META, weight: 0.4195 cost: 1.7920 min: 0.1931 max: 2.6721 USE_META, weight: 0.4451 cost: 1.7217 min: 0.1931 max: 2.6721 USE_META, weight: 0.3731 cost: 1.9198 min: 0.1931 max: 2.6721 USE_META, weight: 0.9155 cost: 0.4257 min: 0.1931 max: 2.6721 USE_META, weight: 0.6555 cost: 1.1420 min: 0.1931 max: 2.6721 USE_META, weight: 0.7120 cost: 0.9865 min: 0.1931 max: 2.6721 USE_META, weight: 0.7320 cost: 0.9314 min: 0.1931 max: 2.6721 USE_META, weight: 0.8608 cost: 0.5764 min: 0.1931 max: 2.6721 USE_META, weight: 0.7330 cost: 0.9286 min: 0.1931 max: 2.6721 USE_META, weight: 0.8677 cost: 0.5575 min: 0.1931 max: 2.6721 USE_META, weight: 0.7433 cost: 0.9002 min: 0.1931 max: 2.6721 USE_META, weight: 0.8509 cost: 0.6037 min: 0.1931 max: 2.6721 USE_META, weight: 0.5295 cost: 1.4890 min: 0.1931 max: 2.6721 USE_META, weight: 0.4968 cost: 1.5790 min: 0.1931 max: 2.6721 USE_META, weight: 0.3473 cost: 1.9908 min: 0.1931 max: 2.6721 USE_META, weight: 0.5023 cost: 1.5639 min: 0.1931 max: 2.6721 USE_META, weight: 0.6052 cost: 1.2804 min: 0.1931 max: 2.6721 USE_META, weight: 0.6037 cost: 1.2848 min: 0.1931 max: 2.6721 USE_META, weight: 0.6055 cost: 1.2798 min: 0.1931 max: 2.6721 USE_META, weight: 0.6036 cost: 1.2849 min: 0.1931 max: 2.6721 USE_META, weight: 0.6051 cost: 1.2807 min: 0.1931 max: 2.6721 USE_META, weight: 0.7320 cost: 0.9314 min: 0.1931 max: 2.6721 USE_META, weight: 0.7330 cost: 0.9286 min: 0.1931 max: 2.6721 USE_META, weight: 0.6855 cost: 1.0592 min: 0.1931 max: 2.6721 USE_META, weight: 0.6878 cost: 1.0530 min: 0.1931 max: 2.6721 USE_META, weight: 0.6480 cost: 1.1627 min: 0.1931 max: 2.6721 USE_META, weight: 0.7917 cost: 0.7668 min: 0.1931 max: 2.6721 USE_META, weight: 0.8608 cost: 0.5764 min: 0.1931 max: 2.6721 USE_META, weight: 0.9259 cost: 0.3972 min: 0.1931 max: 2.6721 USE_META, weight: 0.8081 cost: 0.7216 min: 0.1931 max: 2.6721 USE_META, weight: 0.7330 cost: 0.9286 min: 0.1931 max: 2.6721 USE_META, weight: 0.5339 cost: 1.4771 min: 0.1931 max: 2.6721 USE_META, weight: 0.4491 cost: 1.7105 min: 0.1931 max: 2.6721 USE_META, weight: 0.3389 cost: 2.0141 min: 0.1931 max: 2.6721 USE_META, weight: 0.4470 cost: 1.7164 min: 0.1931 max: 2.6721 USE_META, weight: 0.4469 cost: 1.7165 min: 0.1931 max: 2.6721 USE_META, weight: 0.6064 cost: 1.2772 min: 0.1931 max: 2.6721 USE_META, weight: 0.6014 cost: 1.2911 min: 0.1931 max: 2.6721 USE_META, weight: 0.6002 cost: 1.2944 min: 0.1931 max: 2.6721 USE_META, weight: 0.6056 cost: 1.2793 min: 0.1931 max: 2.6721 USE_META, weight: 0.6024 cost: 1.2882 min: 0.1931 max: 2.6721 USE_META, weight: 0.6002 cost: 1.2944 min: 0.1931 max: 2.6721 USE_META, weight: 0.6056 cost: 1.2793 min: 0.1931 max: 2.6721 USE_META, weight: 0.6108 cost: 1.2650 min: 0.1931 max: 2.6721 USE_META, weight: 0.6024 cost: 1.2882 min: 0.1931 max: 2.6721 USE_META, weight: 0.6013 cost: 1.2913 min: 0.1931 max: 2.6721 USE_META, weight: 0.2051 cost: 2.3826 min: 0.1931 max: 2.6721 USE_META, weight: 0.1528 cost: 2.5268 min: 0.1931 max: 2.6721 USE_META, weight: 0.1966 cost: 2.4061 min: 0.1931 max: 2.6721 USE_META, weight: 0.1963 cost: 2.4069 min: 0.1931 max: 2.6721 USE_META, weight: 0.1531 cost: 2.5258 min: 0.1931 max: 2.6721 USE_META, weight: 0.6376 cost: 1.1914 min: 0.1931 max: 2.6721 USE_META, weight: 0.7018 cost: 1.0145 min: 0.1931 max: 2.6721 USE_META, weight: 0.4995 cost: 1.5718 min: 0.1931 max: 2.6721 USE_META, weight: 0.1000 cost: 2.6721 min: 0.1931 max: 2.6721 USE_META, weight: 0.5813 cost: 1.3463 min: 0.1931 max: 2.6721 USE_META, weight: 0.6085 cost: 1.2714 min: 0.1931 max: 2.6721 USE_META, weight: 0.6070 cost: 1.2755 min: 0.1931 max: 2.6721 USE_META, weight: 0.6051 cost: 1.2807 min: 0.1931 max: 2.6721 USE_META, weight: 0.6021 cost: 1.2892 min: 0.1931 max: 2.6721 USE_META, weight: 0.6065 cost: 1.2771 min: 0.1931 max: 2.6721 USE_META, weight: 0.8663 cost: 0.5613 min: 0.1931 max: 2.6721 USE_META, weight: 0.9259 cost: 0.3972 min: 0.1931 max: 2.6721 USE_META, weight: 0.7219 cost: 0.9590 min: 0.1931 max: 2.6721 USE_META, weight: 0.9048 cost: 0.4552 min: 0.1931 max: 2.6721 USE_META, weight: 0.8081 cost: 0.7216 min: 0.1931 max: 2.6721 USE_META, weight: 0.7249 cost: 0.9509 min: 0.1931 max: 2.6721 USE_META, weight: 0.6426 cost: 1.1774 min: 0.1931 max: 2.6721 USE_META, weight: 0.7194 cost: 0.9661 min: 0.1931 max: 2.6721 USE_META, weight: 0.8360 cost: 0.6447 min: 0.1931 max: 2.6721 USE_META, weight: 0.4907 cost: 1.5960 min: 0.1931 max: 2.6721 USE_META, weight: 0.8321 cost: 0.6557 min: 0.1931 max: 2.6721 USE_META, weight: 0.7989 cost: 0.7470 min: 0.1931 max: 2.6721 USE_META, weight: 0.7989 cost: 0.7470 min: 0.1931 max: 2.6721 USE_META, weight: 0.5831 cost: 1.3413 min: 0.1931 max: 2.6721 USE_META, weight: 0.6165 cost: 1.2494 min: 0.1931 max: 2.6721 USE_META, weight: 0.5974 cost: 1.3020 min: 0.1931 max: 2.6721 USE_META, weight: 0.5631 cost: 1.3965 min: 0.1931 max: 2.6721 USE_META, weight: 0.5616 cost: 1.4005 min: 0.1931 max: 2.6721 USE_META, weight: 0.3884 cost: 1.8777 min: 0.1931 max: 2.6721 USE_META, weight: 0.3622 cost: 1.9498 min: 0.1931 max: 2.6721 USE_META, weight: 0.4135 cost: 1.8086 min: 0.1931 max: 2.6721 USE_META, weight: 0.4084 cost: 1.8227 min: 0.1931 max: 2.6721 USE_META, weight: 0.3110 cost: 2.0908 min: 0.1931 max: 2.6721 USE_META, weight: 0.8940 cost: 0.4850 min: 0.1931 max: 2.6721 USE_META, weight: 0.8881 cost: 0.5012 min: 0.1931 max: 2.6721 USE_META, weight: 0.8329 cost: 0.6533 min: 0.1931 max: 2.6721 USE_META, weight: 0.2818 cost: 2.1712 min: 0.1931 max: 2.6721 USE_META, weight: 0.6808 cost: 1.0723 min: 0.1931 max: 2.6721 USE_META, weight: 0.9934 cost: 0.2113 min: 0.1931 max: 2.6721 USE_META, weight: 1.0000 cost: 0.1931 min: 0.1931 max: 2.6721 USE_META, weight: 0.9947 cost: 0.2077 min: 0.1931 max: 2.6721 USE_META, weight: 0.9604 cost: 0.3022 min: 0.1931 max: 2.6721 USE_META, weight: 0.9887 cost: 0.2243 min: 0.1931 max: 2.6721 USE_META, weight: 0.3884 cost: 1.8777 min: 0.1931 max: 2.6721 USE_META, weight: 0.3093 cost: 2.0956 min: 0.1931 max: 2.6721 USE_META, weight: 0.2655 cost: 2.2163 min: 0.1931 max: 2.6721 USE_META, weight: 0.6065 cost: 1.2771 min: 0.1931 max: 2.6721 USE_META, weight: 0.3800 cost: 1.9009 min: 0.1931 max: 2.6721 USE_META, weight: 0.3844 cost: 1.8886 min: 0.1931 max: 2.6721 USE_META, weight: 0.6032 cost: 1.2861 min: 0.1931 max: 2.6721 USE_META, weight: 0.5828 cost: 1.3423 min: 0.1931 max: 2.6721 USE_META, weight: 0.5975 cost: 1.3018 min: 0.1931 max: 2.6721 USE_META, weight: 0.5884 cost: 1.3267 min: 0.1931 max: 2.6721 USE_META, weight: 0.5920 cost: 1.3168 min: 0.1931 max: 2.6721 USE_META, weight: 0.6765 cost: 1.0841 min: 0.1931 max: 2.6721 USE_META, weight: 0.6650 cost: 1.1158 min: 0.1931 max: 2.6721 USE_META, weight: 0.6962 cost: 1.0298 min: 0.1931 max: 2.6721 USE_META, weight: 0.7128 cost: 0.9842 min: 0.1931 max: 2.6721 USE_META, weight: 0.5828 cost: 1.3423 min: 0.1931 max: 2.6721 USE_META, weight: 0.6910 cost: 1.0443 min: 0.1931 max: 2.6721 USE_META, weight: 0.6609 cost: 1.1272 min: 0.1931 max: 2.6721 USE_META, weight: 0.7448 cost: 0.8959 min: 0.1931 max: 2.6721 USE_META, weight: 0.8634 cost: 0.5694 min: 0.1931 max: 2.6721 USE_META, weight: 0.7783 cost: 0.8037 min: 0.1931 max: 2.6721 USE_META, weight: 0.7414 cost: 0.9054 min: 0.1931 max: 2.6721 USE_META, weight: 0.6972 cost: 1.0272 min: 0.1931 max: 2.6721 USE_META, weight: 0.6028 cost: 1.2872 min: 0.1931 max: 2.6721 USE_META, weight: 0.6299 cost: 1.2126 min: 0.1931 max: 2.6721 USE_META, weight: 0.6760 cost: 1.0855 min: 0.1931 max: 2.6721 USE_META, weight: 0.5487 cost: 1.4363 min: 0.1931 max: 2.6721 USE_META, weight: 0.8669 cost: 0.5596 min: 0.1931 max: 2.6721 USE_META, weight: 0.6910 cost: 1.0443 min: 0.1931 max: 2.6721 USE_META, weight: 0.8634 cost: 0.5694 min: 0.1931 max: 2.6721 USE_META, weight: 0.6609 cost: 1.1272 min: 0.1931 max: 2.6721 USE_META, weight: 0.7347 cost: 0.9239 min: 0.1931 max: 2.6721 USE_META, weight: 0.9018 cost: 0.4636 min: 0.1931 max: 2.6721 USE_META, weight: 0.8729 cost: 0.5431 min: 0.1931 max: 2.6721 USE_META, weight: 0.6810 cost: 1.0717 min: 0.1931 max: 2.6721 USE_META, weight: 0.8417 cost: 0.6290 min: 0.1931 max: 2.6721 USE_META, weight: 0.8035 cost: 0.7343 min: 0.1931 max: 2.6721 USE_META, weight: 0.8796 cost: 0.5248 min: 0.1931 max: 2.6721 USE_META, weight: 0.9125 cost: 0.4342 min: 0.1931 max: 2.6721 USE_META, weight: 0.8888 cost: 0.4994 min: 0.1931 max: 2.6721 USE_META, weight: 0.8617 cost: 0.5741 min: 0.1931 max: 2.6721 USE_META, weight: 0.8704 cost: 0.5501 min: 0.1931 max: 2.6721 USE_META, weight: 0.9038 cost: 0.4582 min: 0.1931 max: 2.6721 USE_META, weight: 0.9106 cost: 0.4394 min: 0.1931 max: 2.6721 USE_META, weight: 0.6008 cost: 1.2928 min: 0.1931 max: 2.6721 USE_META, weight: 0.9324 cost: 0.3793 min: 0.1931 max: 2.6721 USE_META, weight: 0.9496 cost: 0.3318 min: 0.1931 max: 2.6721 USE_META, weight: 0.8330 cost: 0.6530 min: 0.1931 max: 2.6721 USE_META, weight: 0.8356 cost: 0.6460 min: 0.1931 max: 2.6721 USE_META, weight: 0.7776 cost: 0.8056 min: 0.1931 max: 2.6721 USE_META, weight: 0.7815 cost: 0.7949 min: 0.1931 max: 2.6721 USE_META, weight: 0.8088 cost: 0.7199 min: 0.1931 max: 2.6721 USE_META, weight: 0.6096 cost: 1.2685 min: 0.1931 max: 2.6721 USE_META, weight: 0.6078 cost: 1.2734 min: 0.1931 max: 2.6721 USE_META, weight: 0.6067 cost: 1.2765 min: 0.1931 max: 2.6721 USE_META, weight: 0.6070 cost: 1.2756 min: 0.1931 max: 2.6721 USE_META, weight: 0.6099 cost: 1.2677 min: 0.1931 max: 2.6721 USE_META, weight: 0.6065 cost: 1.2771 min: 0.1931 max: 2.6721 USE_META, weight: 0.6065 cost: 1.2771 min: 0.1931 max: 2.6721 USE_META, weight: 0.6065 cost: 1.2771 min: 0.1931 max: 2.6721 USE_META, weight: 0.6065 cost: 1.2771 min: 0.1931 max: 2.6721 USE_META, weight: 0.6064 cost: 1.2771 min: 0.1931 max: 2.6721 USE_META, weight: 0.8287 cost: 0.6650 min: 0.1931 max: 2.6721 USE_META, weight: 0.9314 cost: 0.3820 min: 0.1931 max: 2.6721 USE_META, weight: 0.8198 cost: 0.6894 min: 0.1931 max: 2.6721 USE_META, weight: 0.8931 cost: 0.4875 min: 0.1931 max: 2.6721 USE_META, weight: 0.9318 cost: 0.3811 min: 0.1931 max: 2.6721 USE_META, weight: 0.8729 cost: 0.5431 min: 0.1931 max: 2.6721 USE_META, weight: 0.7010 cost: 1.0166 min: 0.1931 max: 2.6721 USE_META, weight: 0.6645 cost: 1.1171 min: 0.1931 max: 2.6721 USE_META, weight: 0.6819 cost: 1.0694 min: 0.1931 max: 2.6721 USE_META, weight: 0.7144 cost: 0.9798 min: 0.1931 max: 2.6721 USE_META, weight: 0.8498 cost: 0.6068 min: 0.1931 max: 2.6721 USE_META, weight: 0.9197 cost: 0.4142 min: 0.1931 max: 2.6721 USE_META, weight: 0.7909 cost: 0.7691 min: 0.1931 max: 2.6721 USE_META, weight: 0.7716 cost: 0.8223 min: 0.1931 max: 2.6721 USE_META, weight: 0.6555 cost: 1.1419 min: 0.1931 max: 2.6721 USE_META, weight: 0.7369 cost: 0.9179 min: 0.1931 max: 2.6721 USE_META, weight: 0.8266 cost: 0.6708 min: 0.1931 max: 2.6721 USE_META, weight: 0.8454 cost: 0.6189 min: 0.1931 max: 2.6721 USE_META, weight: 0.8158 cost: 0.7003 min: 0.1931 max: 2.6721 USE_META, weight: 0.8305 cost: 0.6599 min: 0.1931 max: 2.6721 USE_META, weight: 0.6101 cost: 1.2671 min: 0.1931 max: 2.6721 USE_META, weight: 0.6089 cost: 1.2705 min: 0.1931 max: 2.6721 USE_META, weight: 0.6081 cost: 1.2726 min: 0.1931 max: 2.6721 USE_META, weight: 0.6097 cost: 1.2680 min: 0.1931 max: 2.6721 USE_META, weight: 0.9761 cost: 0.2589 min: 0.1931 max: 2.6721 USE_META, weight: 0.6078 cost: 1.2735 min: 0.1931 max: 2.6721 USE_META, weight: 0.6077 cost: 1.2738 min: 0.1931 max: 2.6721 USE_META, weight: 0.6065 cost: 1.2770 min: 0.1931 max: 2.6721 USE_META, weight: 0.6065 cost: 1.2771 min: 0.1931 max: 2.6721 USE_META, weight: 0.9279 cost: 0.3916 min: 0.1931 max: 2.6721 USE_META, weight: 0.9008 cost: 0.4664 min: 0.1931 max: 2.6721 USE_META, weight: 0.7370 cost: 0.9176 min: 0.1931 max: 2.6721 USE_META, weight: 0.7743 cost: 0.8147 min: 0.1931 max: 2.6721 USE_META, weight: 0.7680 cost: 0.8321 min: 0.1931 max: 2.6721 USE_META, weight: 0.8847 cost: 0.5107 min: 0.1931 max: 2.6721 USE_META, weight: 0.8027 cost: 0.7365 min: 0.1931 max: 2.6721 USE_META, weight: 0.6053 cost: 1.2803 min: 0.1931 max: 2.6721 USE_META, weight: 0.6064 cost: 1.2773 min: 0.1931 max: 2.6721 USE_META, weight: 0.6065 cost: 1.2771 min: 0.1931 max: 2.6721 USE_META, weight: 0.6054 cost: 1.2799 min: 0.1931 max: 2.6721 USE_META, weight: 0.6053 cost: 1.2801 min: 0.1931 max: 2.6721 USE_META, weight: 0.6062 cost: 1.2779 min: 0.1931 max: 2.6721 USE_META, weight: 0.6062 cost: 1.2779 min: 0.1931 max: 2.6721 USE_META, weight: 0.6065 cost: 1.2771 min: 0.1931 max: 2.6721 USE_META, weight: 0.6063 cost: 1.2776 min: 0.1931 max: 2.6721 USE_META, weight: 0.6063 cost: 1.2775 min: 0.1931 max: 2.6721 USE_META, weight: 0.7950 cost: 0.7578 min: 0.1931 max: 2.6721 USE_META, weight: 0.3498 cost: 1.9841 min: 0.1931 max: 2.6721 USE_META, weight: 0.6612 cost: 1.1262 min: 0.1931 max: 2.6721 USE_META, weight: 0.3699 cost: 1.9287 min: 0.1931 max: 2.6721 USE_META, weight: 0.3163 cost: 2.0764 min: 0.1931 max: 2.6721 USE_META, weight: 0.1633 cost: 2.4976 min: 0.1931 max: 2.6721 USE_META, weight: 0.1490 cost: 2.5371 min: 0.1931 max: 2.6721 USE_META, weight: 0.1666 cost: 2.4885 min: 0.1931 max: 2.6721 USE_META, weight: 0.1690 cost: 2.4819 min: 0.1931 max: 2.6721 USE_META, weight: 0.1078 cost: 2.6505 min: 0.1931 max: 2.6721 USE_META, weight: 0.8182 cost: 0.6939 min: 0.1931 max: 2.6721 USE_META, weight: 0.4393 cost: 1.7374 min: 0.1931 max: 2.6721 USE_META, weight: 0.4905 cost: 1.5964 min: 0.1931 max: 2.6721 USE_META, weight: 0.5032 cost: 1.5615 min: 0.1931 max: 2.6721 USE_META, weight: 0.4845 cost: 1.6129 min: 0.1931 max: 2.6721 USE_META, weight: 0.6747 cost: 1.0891 min: 0.1931 max: 2.6721 USE_META, weight: 0.6470 cost: 1.1653 min: 0.1931 max: 2.6721 USE_META, weight: 0.6984 cost: 1.0239 min: 0.1931 max: 2.6721 USE_META, weight: 0.6504 cost: 1.1559 min: 0.1931 max: 2.6721 USE_META, weight: 0.6929 cost: 1.0389 min: 0.1931 max: 2.6721 USE_META, weight: 0.8425 cost: 0.6268 min: 0.1931 max: 2.6721 USE_META, weight: 0.7264 cost: 0.9468 min: 0.1931 max: 2.6721 USE_META, weight: 0.7201 cost: 0.9641 min: 0.1931 max: 2.6721 USE_META, weight: 0.7826 cost: 0.7920 min: 0.1931 max: 2.6721 USE_META, weight: 0.8960 cost: 0.4794 min: 0.1931 max: 2.6721 USE_META, weight: 0.8353 cost: 0.6466 min: 0.1931 max: 2.6721 USE_META, weight: 0.5748 cost: 1.3644 min: 0.1931 max: 2.6721 USE_META, weight: 0.8313 cost: 0.6578 min: 0.1931 max: 2.6721 USE_EVALUE, weight: 0.1000 eval: 40.8550 min: 0.0000 max: 40.8550 USE_EVALUE, weight: 0.1000 eval: 40.8550 min: 0.0000 max: 40.8550 USE_EVALUE, weight: 0.1000 eval: 40.8550 min: 0.0000 max: 40.8550 USE_EVALUE, weight: 0.9989 eval: 0.0483 min: 0.0000 max: 40.8550 USE_EVALUE, weight: 0.9989 eval: 0.0483 min: 0.0000 max: 40.8550 USE_EVALUE, weight: 0.9989 eval: 0.0483 min: 0.0000 max: 40.8550 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 40.8550 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 40.8550 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 40.8550 USE_EVALUE, weight: 0.9879 eval: 0.5498 min: 0.0000 max: 40.8550 USE_EVALUE, weight: 0.9879 eval: 0.5498 min: 0.0000 max: 40.8550 USE_EVALUE, weight: 0.9879 eval: 0.5498 min: 0.0000 max: 40.8550 USE_EVALUE, weight: 0.9989 eval: 0.0515 min: 0.0000 max: 40.8550 USE_EVALUE, weight: 0.9989 eval: 0.0515 min: 0.0000 max: 40.8550 USE_EVALUE, weight: 0.9989 eval: 0.0515 min: 0.0000 max: 40.8550 USE_EVALUE, weight: 0.9908 eval: 0.4177 min: 0.0000 max: 40.8550 USE_EVALUE, weight: 0.9908 eval: 0.4177 min: 0.0000 max: 40.8550 USE_EVALUE, weight: 0.9908 eval: 0.4177 min: 0.0000 max: 40.8550 USE_EVALUE, weight: 0.7131 eval: 13.0240 min: 0.0000 max: 40.8550 USE_EVALUE, weight: 0.7131 eval: 13.0240 min: 0.0000 max: 40.8550 USE_EVALUE, weight: 0.7131 eval: 13.0240 min: 0.0000 max: 40.8550 USE_EVALUE, weight: 0.7029 eval: 13.4850 min: 0.0000 max: 40.8550 USE_EVALUE, weight: 0.7029 eval: 13.4850 min: 0.0000 max: 40.8550 USE_EVALUE, weight: 0.7029 eval: 13.4850 min: 0.0000 max: 40.8550 USE_EVALUE, weight: 0.9996 eval: 0.0183 min: 0.0000 max: 40.8550 USE_EVALUE, weight: 0.9996 eval: 0.0183 min: 0.0000 max: 40.8550 USE_EVALUE, weight: 0.9996 eval: 0.0183 min: 0.0000 max: 40.8550 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 40.8550 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 40.8550 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 40.8550 USE_EVALUE, weight: 1.0000 eval: 0.0002 min: 0.0000 max: 40.8550 USE_EVALUE, weight: 1.0000 eval: 0.0002 min: 0.0000 max: 40.8550 USE_EVALUE, weight: 1.0000 eval: 0.0002 min: 0.0000 max: 40.8550 USE_EVALUE, weight: 0.6754 eval: 14.7330 min: 0.0000 max: 40.8550 USE_EVALUE, weight: 0.6754 eval: 14.7330 min: 0.0000 max: 40.8550 USE_EVALUE, weight: 0.6754 eval: 14.7330 min: 0.0000 max: 40.8550 USE_EVALUE, weight: 1.0000 eval: 0.0019 min: 0.0000 max: 40.8550 USE_EVALUE, weight: 1.0000 eval: 0.0019 min: 0.0000 max: 40.8550 USE_EVALUE, weight: 1.0000 eval: 0.0019 min: 0.0000 max: 40.8550 USE_EVALUE, weight: 0.7187 eval: 12.7690 min: 0.0000 max: 40.8550 USE_EVALUE, weight: 0.7187 eval: 12.7690 min: 0.0000 max: 40.8550 USE_EVALUE, weight: 0.7187 eval: 12.7690 min: 0.0000 max: 40.8550 USE_EVALUE, weight: 0.7753 eval: 10.2010 min: 0.0000 max: 40.8550 USE_EVALUE, weight: 0.7753 eval: 10.2010 min: 0.0000 max: 40.8550 USE_EVALUE, weight: 0.7753 eval: 10.2010 min: 0.0000 max: 40.8550 USE_EVALUE, weight: 0.9854 eval: 0.6637 min: 0.0000 max: 40.8550 USE_EVALUE, weight: 0.9854 eval: 0.6637 min: 0.0000 max: 40.8550 USE_EVALUE, weight: 0.9854 eval: 0.6637 min: 0.0000 max: 40.8550 USE_EVALUE, weight: 0.9895 eval: 0.4760 min: 0.0000 max: 40.8550 USE_EVALUE, weight: 0.9895 eval: 0.4760 min: 0.0000 max: 40.8550 USE_EVALUE, weight: 0.9895 eval: 0.4760 min: 0.0000 max: 40.8550 USE_EVALUE, weight: 0.8218 eval: 8.0885 min: 0.0000 max: 40.8550 USE_EVALUE, weight: 0.8218 eval: 8.0885 min: 0.0000 max: 40.8550 USE_EVALUE, weight: 0.8218 eval: 8.0885 min: 0.0000 max: 40.8550 USE_EVALUE, weight: 0.1411 eval: 38.9890 min: 0.0000 max: 40.8550 USE_EVALUE, weight: 0.1411 eval: 38.9890 min: 0.0000 max: 40.8550 USE_EVALUE, weight: 0.1411 eval: 38.9890 min: 0.0000 max: 40.8550 USE_EVALUE, weight: 0.9958 eval: 0.1898 min: 0.0000 max: 40.8550 USE_EVALUE, weight: 0.9958 eval: 0.1898 min: 0.0000 max: 40.8550 USE_EVALUE, weight: 0.9958 eval: 0.1898 min: 0.0000 max: 40.8550 Number of contacts in models: 257 Number of contacts in alignments: 60 NUMB_ALIGNS: 60 Adding 35219 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: -756.0753, CN propb: -756.0753 weights: 0.1553 constraints: 3122 # command:Found ConstraintSet # PrintContacts align.constraints_meta03 Number of constraints in align3.constraints 3122 # command:Found ConstraintSet # PrintContacts align_bonus.constraints_meta03 Number of constraints in align3.constraints.bonus 3122 # command:Found ConstraintSet # PrintContacts rejected.constraints_meta03 Number of constraints in rejected3.constraints 32097 # command:Found ConstraintSet # PrintContacts rejected_bonus.constraints_meta03 Number of constraints in rejected3.constraints.bonus 32097 # 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 35219 # command: