# 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/T0338/ # command:# Making conformation for sequence T0338 numbered 1 through 256 Created new target T0338 from T0338.a2m # command:# Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0338/ # command:Warning: Couldn't open file /projects/compbio/experiments/protein-predict/casp7/T0338//projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0338/manyalignments-good-all.under or /projects/compbio/experiments/protein-predict/casp7/T0338//projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0338/manyalignments-good-all.under.gz for input Trying /projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0338/manyalignments-good-all.under # reading script from file /projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0338/manyalignments-good-all.under # Reading fragments from alignment file # Attempting to read fragment alignments from file 1qmzB/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1qmzB expands to /projects/compbio/data/pdb/1qmz.pdb.gz 1qmzB:# T0338 read from 1qmzB/merged-good-all-a2m # 1qmzB read from 1qmzB/merged-good-all-a2m # adding 1qmzB to template set # found chain 1qmzB in template set Warning: unaligning (T0338)R158 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1qmzB)P324 Warning: unaligning (T0338)T179 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1qmzB)P346 Warning: unaligning (T0338)F180 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1qmzB)P346 Warning: unaligning (T0338)W214 because of BadResidue code BAD_PEPTIDE in next template residue (1qmzB)T380 Warning: unaligning (T0338)W215 because of BadResidue code BAD_PEPTIDE at template residue (1qmzB)T380 T0338 2 :SSRWFFTREQLENTPSR 1qmzB 181 :DIHTYLREMEVKCKPKV # choosing archetypes in rotamer library T0338 19 :RCGVEADKELSCRQQAANLIQEMGQRLNVSQLTINTAIVYMHRFYMHHSFTKFNKNIISSTALFLAAKVEE 1qmzB 199 :YMKKQPDITNSMRAILVDWLVEVGEEYKLQNETLHLAVNYIDRFLSSMSVLRGKLQLVGTAAMLLASKFEE T0338 103 :ACLHPLEPLLDTKCDAY 1qmzB 270 :IYPPEVAEFVYITDDTY T0338 122 :QTRELVILETIMLQTLGFEITIEHPHTDVVKCTQLV 1qmzB 287 :TKKQVLRMEHLVLKVLTFDLAAPTVNQFLTQYFLHQ T0338 159 :ASKDLAQTSYFMATNSLHLT 1qmzB 325 :ANCKVESLAMFLGELSLIDA T0338 181 :CLQYKPTVIACVCIHLACKWSNWE 1qmzB 347 :YLKYLPSVIAGAAFHLALYTVTGQ T0338 206 :PVSTDGKH 1qmzB 371 :SWPESLIR T0338 216 :E 1qmzB 381 :G T0338 222 :VTLELLDELTHEFLQILEKTPNRLKKIRNWRANQ 1qmzB 382 :YTLESLKPCLMDLHQTYLKAPQHAQQSIREKYKN Number of specific fragments extracted= 9 number of extra gaps= 3 total=9 Number of alignments=1 # 1qmzB read from 1qmzB/merged-good-all-a2m # found chain 1qmzB in template set Warning: unaligning (T0338)R158 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1qmzB)P324 Warning: unaligning (T0338)T179 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1qmzB)P346 Warning: unaligning (T0338)F180 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1qmzB)P346 Warning: unaligning (T0338)W215 because of BadResidue code BAD_PEPTIDE in next template residue (1qmzB)T380 Warning: unaligning (T0338)E216 because of BadResidue code BAD_PEPTIDE at template residue (1qmzB)T380 T0338 3 :SRWFFTREQLENTPSRRCGVEADKELSCRQQAANLIQEMGQRLNVSQLTINTAIVYMHRFYMHHSFTKFNKNIISSTALFLAAKVEE 1qmzB 183 :HTYLREMEVKCKPKVGYMKKQPDITNSMRAILVDWLVEVGEEYKLQNETLHLAVNYIDRFLSSMSVLRGKLQLVGTAAMLLASKFEE T0338 103 :ACLHPLEPLLDTKCDAYL 1qmzB 270 :IYPPEVAEFVYITDDTYT T0338 123 :TRELVILETIMLQTLGFEITIEHPHTDVVKCTQLV 1qmzB 288 :KKQVLRMEHLVLKVLTFDLAAPTVNQFLTQYFLHQ T0338 159 :ASKDLAQTSYFMATNSLHLT 1qmzB 325 :ANCKVESLAMFLGELSLIDA T0338 181 :CLQYKPTVIACVCIHLACKWSNW 1qmzB 347 :YLKYLPSVIAGAAFHLALYTVTG T0338 206 :PVSTDGKHW 1qmzB 370 :QSWPESLIR T0338 221 :TVTLELLDELTHEFLQILEKTPNRLKKIRNWRANQ 1qmzB 381 :GYTLESLKPCLMDLHQTYLKAPQHAQQSIREKYKN Number of specific fragments extracted= 7 number of extra gaps= 3 total=16 Number of alignments=2 # 1qmzB read from 1qmzB/merged-good-all-a2m # found chain 1qmzB in template set Warning: unaligning (T0338)R158 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1qmzB)P324 Warning: unaligning (T0338)T179 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1qmzB)P346 Warning: unaligning (T0338)F180 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1qmzB)P346 Warning: unaligning (T0338)D219 because of BadResidue code BAD_PEPTIDE in next template residue (1qmzB)T380 Warning: unaligning (T0338)P220 because of BadResidue code BAD_PEPTIDE at template residue (1qmzB)T380 T0338 4 :RWFFTREQLENTPSRRCG 1qmzB 184 :TYLREMEVKCKPKVGYMK T0338 22 :VE 1qmzB 206 :IT T0338 28 :LSCRQQAANLIQEMGQRLNVSQLTINTAIVYMHRFYMHHSFTKFNKNIISSTALFLAAKVEEQARKLEHVIKVAHA 1qmzB 208 :NSMRAILVDWLVEVGEEYKLQNETLHLAVNYIDRFLSSMSVLRGKLQLVGTAAMLLASKFEEIYPPEVAEFVYITD T0338 119 :YLQQTRELVILETIMLQTLGFEITIEHPHTDVVKCTQLV 1qmzB 284 :DTYTKKQVLRMEHLVLKVLTFDLAAPTVNQFLTQYFLHQ T0338 159 :ASKDLAQTSYFMATNSLHLT 1qmzB 325 :ANCKVESLAMFLGELSLIDA T0338 181 :CLQYKPTVIACVCIHLACKWSNWEIPVS 1qmzB 347 :YLKYLPSVIAGAAFHLALYTVTGQSWPE T0338 215 :WEYV 1qmzB 375 :SLIR T0338 221 :TVTLELLDELTHEFLQILEKTPN 1qmzB 381 :GYTLESLKPCLMDLHQTYLKAPQ Number of specific fragments extracted= 8 number of extra gaps= 3 total=24 Number of alignments=3 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1c9bA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1c9bA expands to /projects/compbio/data/pdb/1c9b.pdb.gz 1c9bA:# T0338 read from 1c9bA/merged-good-all-a2m # 1c9bA read from 1c9bA/merged-good-all-a2m # adding 1c9bA to template set # found chain 1c9bA in template set T0338 33 :QAANLIQEMGQRLNVSQLTINTAIVYMHRFYMHHSFTKFNKNIISSTALFLAAKVEE 1c9bA 116 :NAFKEITTMADRINLPRNIVDRTNNLFKQVYEQKSLKGRANDAIASACLYIACRQEG T0338 104 :CLHPLEPLLDT 1c9bA 173 :VPRTFKEICAV T0338 117 :DAY 1c9bA 184 :SRI T0338 122 :QTRELVILETIMLQTLGFEITIEHPHTDVVKCTQLVRASKDLAQTSYFMATNSLH 1c9bA 187 :SKKEIGRCFKLILKALETSVDLITTGDFMSRFCSNLCLPKQVQMAATHIARKAVE T0338 178 :TTFCLQYKPTVIACVCIHLACKWSNWEIPV 1c9bA 242 :LDLVPGRSPISVAAAAIYMASQASAEKRTQ T0338 209 :TDGKHWWE 1c9bA 272 :KEIGDIAG T0338 222 :VTLELLDELTHEF 1c9bA 280 :VADVTIRQSYRLI Number of specific fragments extracted= 7 number of extra gaps= 0 total=31 Number of alignments=4 # 1c9bA read from 1c9bA/merged-good-all-a2m # found chain 1c9bA in template set T0338 21 :G 1c9bA 116 :N T0338 34 :AANLIQEMGQRLNVSQLTINTAIVYMHRFYMHHSFTKFNKNIISSTALFLAAKVEEQARKLEHVIKVAHAC 1c9bA 117 :AFKEITTMADRINLPRNIVDRTNNLFKQVYEQKSLKGRANDAIASACLYIACRQEGVPRTFKEICAVSRIS T0338 123 :TRELVILETIMLQTLGFEITIEHPHTDVVKCTQLVRASKDLAQTSYFMATNSLH 1c9bA 188 :KKEIGRCFKLILKALETSVDLITTGDFMSRFCSNLCLPKQVQMAATHIARKAVE T0338 178 :TTFCLQYKPTVIACVCIHLACKWSNWEIP 1c9bA 242 :LDLVPGRSPISVAAAAIYMASQASAEKRT T0338 221 :TVTLELLDELTHEF 1c9bA 279 :GVADVTIRQSYRLI T0338 242 :PNRLKKI 1c9bA 293 :YPRAPDL Number of specific fragments extracted= 6 number of extra gaps= 0 total=37 Number of alignments=5 # 1c9bA read from 1c9bA/merged-good-all-a2m # found chain 1c9bA in template set T0338 34 :AANLIQEMGQRLNVSQLTINTAIVYMHRFYMHHSFTKFNKNIISSTALFLAAKVEEQARKLEHVIKV 1c9bA 117 :AFKEITTMADRINLPRNIVDRTNNLFKQVYEQKSLKGRANDAIASACLYIACRQEGVPRTFKEICAV T0338 119 :YLQQTRELVILETIMLQTLGFEITIEHPHTDVVKCTQLVRASKDLAQTSYFMATNSLH 1c9bA 184 :SRISKKEIGRCFKLILKALETSVDLITTGDFMSRFCSNLCLPKQVQMAATHIARKAVE T0338 178 :TTFCLQYKPTVIACVCIHLACKWSNWEIPVS 1c9bA 242 :LDLVPGRSPISVAAAAIYMASQASAEKRTQK T0338 215 :WEYVDPTVTLELLDELTHEF 1c9bA 273 :EIGDIAGVADVTIRQSYRLI Number of specific fragments extracted= 4 number of extra gaps= 0 total=41 Number of alignments=6 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1xo2A/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/T0338/1xo2A/merged-good-all-a2m or /projects/compbio/experiments/protein-predict/casp7/T0338/1xo2A/merged-good-all-a2m.gz for input Trying 1xo2A/merged-good-all-a2m Error: Couldn't open file 1xo2A/merged-good-all-a2m or 1xo2A/merged-good-all-a2m.gz for input # Reading fragments from alignment file # Attempting to read fragment alignments from file 1vywB/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/T0338/1vywB/merged-good-all-a2m or /projects/compbio/experiments/protein-predict/casp7/T0338/1vywB/merged-good-all-a2m.gz for input Trying 1vywB/merged-good-all-a2m Error: Couldn't open file 1vywB/merged-good-all-a2m or 1vywB/merged-good-all-a2m.gz for input # Reading fragments from alignment file # Attempting to read fragment alignments from file 1tfb/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1tfb expands to /projects/compbio/data/pdb/1tfb.pdb.gz 1tfb:Warning: there is no chain 1tfb will retry with 1tfbA # T0338 read from 1tfb/merged-good-all-a2m # 1tfb read from 1tfb/merged-good-all-a2m # adding 1tfb to template set # found chain 1tfb in template set T0338 32 :QQAANLIQEMGQRLNVSQLTINTAIVYMHRFYMHHSFTKFNKNIISSTALFLAAKVEEQARKLEHVIKVA 1tfb 115 :MNAFKEITTMADRINLPRNIVDRTNNLFKQVYEQKSLKGRANDAIASACLYIACRQEGVPRTFKEICAVS T0338 113 :D 1tfb 185 :R T0338 119 :Y 1tfb 186 :I T0338 122 :QTRELVILETIMLQTLGFEIT 1tfb 187 :SKKEIGRCFKLILKALETSVD T0338 157 :VRASKDLAQTSYFMATNSLH 1tfb 222 :LCLPKQVQMAATHIARKAVE T0338 178 :TTFCLQYKPTVIACVCIHLACKWSNWEIPV 1tfb 242 :LDLVPGRSPISVAAAAIYMASQASAEKRTQ T0338 212 :KHWWEYVD 1tfb 272 :KEIGDIAG Number of specific fragments extracted= 7 number of extra gaps= 0 total=48 Number of alignments=7 # 1tfb read from 1tfb/merged-good-all-a2m # found chain 1tfb in template set T0338 33 :QAANLIQEMGQRLNVSQLTINTAIVYMHRFYMHHSFTKFNKNIISSTALFLAAKVEEQARKLEHVIKVAHAC 1tfb 116 :NAFKEITTMADRINLPRNIVDRTNNLFKQVYEQKSLKGRANDAIASACLYIACRQEGVPRTFKEICAVSRIS T0338 123 :TRELVILETIMLQTLGFEITIEH 1tfb 188 :KKEIGRCFKLILKALETSVDLIT T0338 157 :VRASKDLAQTSYFMATNSLH 1tfb 222 :LCLPKQVQMAATHIARKAVE T0338 178 :TTFCLQYKPTVIACVCIHLACKWS 1tfb 242 :LDLVPGRSPISVAAAAIYMASQAS T0338 202 :NWEIPVSTDG 1tfb 303 :DFKFDTPVDK Number of specific fragments extracted= 5 number of extra gaps= 0 total=53 Number of alignments=8 # 1tfb read from 1tfb/merged-good-all-a2m # found chain 1tfb in template set T0338 33 :QAANLIQEMGQRLNVSQLTINTAIVYMHRFYMHHSFTKFNKNIISSTALFLAAKVEEQARKLEHVIKV 1tfb 116 :NAFKEITTMADRINLPRNIVDRTNNLFKQVYEQKSLKGRANDAIASACLYIACRQEGVPRTFKEICAV T0338 119 :YLQQTRELVILETIMLQTLGFEI 1tfb 184 :SRISKKEIGRCFKLILKALETSV T0338 157 :VRASKDLAQTSYFMATNSLH 1tfb 222 :LCLPKQVQMAATHIARKAVE T0338 178 :TTFCLQYKPTVIACVCIHLACKWSNWEIP 1tfb 242 :LDLVPGRSPISVAAAAIYMASQASAEKRT Number of specific fragments extracted= 4 number of extra gaps= 0 total=57 Number of alignments=9 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1h1rB/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/T0338/1h1rB/merged-good-all-a2m or /projects/compbio/experiments/protein-predict/casp7/T0338/1h1rB/merged-good-all-a2m.gz for input Trying 1h1rB/merged-good-all-a2m Error: Couldn't open file 1h1rB/merged-good-all-a2m or 1h1rB/merged-good-all-a2m.gz for input # Reading fragments from alignment file # Attempting to read fragment alignments from file 1oiuB/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/T0338/1oiuB/merged-good-all-a2m or /projects/compbio/experiments/protein-predict/casp7/T0338/1oiuB/merged-good-all-a2m.gz for input Trying 1oiuB/merged-good-all-a2m Error: Couldn't open file 1oiuB/merged-good-all-a2m or 1oiuB/merged-good-all-a2m.gz for input # Reading fragments from alignment file # Attempting to read fragment alignments from file 1f5qB/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1f5qB expands to /projects/compbio/data/pdb/1f5q.pdb.gz 1f5qB:Skipped atom 2781, because occupancy 0.5 <= existing 0.500 in 1f5qB Skipped atom 2783, because occupancy 0.500 <= existing 0.500 in 1f5qB Skipped atom 2785, because occupancy 0.500 <= existing 0.500 in 1f5qB Skipped atom 2787, because occupancy 0.500 <= existing 0.500 in 1f5qB Skipped atom 2789, because occupancy 0.500 <= existing 0.500 in 1f5qB Skipped atom 2791, because occupancy 0.500 <= existing 0.500 in 1f5qB # T0338 read from 1f5qB/merged-good-all-a2m # 1f5qB read from 1f5qB/merged-good-all-a2m # adding 1f5qB to template set # found chain 1f5qB in template set T0338 8 :TREQLE 1f5qB 27 :SEREHD T0338 19 :RCGVEADKEL 1f5qB 35 :MVGVNVDQHF T0338 29 :SCRQQAANLIQEMGQRLNVSQLTINTAIVYMHRFYMHHSFTKFNKNIISSTALFLAAKVEE 1f5qB 47 :QYRKVLTTWMFCVCKDLRQDNNVFPLAVALLDELFLSTRIDRENYQSTAAVALHIAGKVRA T0338 103 :ACLHPLEPLLDTKCDAY 1f5qB 108 :YMPIKATQLAYLCGGAT T0338 122 :QTRELVILETIMLQTLGFEITIEHPHTDVVKCTQLVRASKD 1f5qB 125 :TADKLLTLEVKSLDTLSWVADRCLSTDLICYILHIMHAPRE T0338 163 :LAQTSYFMATNSLH 1f5qB 170 :IYNLCRPKIFCALC T0338 178 :TTFCLQYKPTVIACVCIHLAC 1f5qB 184 :DGRSAMKRPVLITLACMHLTM T0338 216 :EYV 1f5qB 220 :KSL T0338 221 :TVTLELLDELTHEFLQILEKTPNRLKKI 1f5qB 223 :YITKEELHQCCDLVDIAIVSFDENYFKI Number of specific fragments extracted= 9 number of extra gaps= 0 total=66 Number of alignments=10 # 1f5qB read from 1f5qB/merged-good-all-a2m # found chain 1f5qB in template set T0338 9 :REQL 1f5qB 31 :HDAR T0338 19 :RCGVEAD 1f5qB 35 :MVGVNVD T0338 26 :KELSCRQQAANLIQEMGQRLNVSQLTINTAIVYMHRFYMHHSFTKFNKNIISSTALFLAAKVEE 1f5qB 44 :FTSQYRKVLTTWMFCVCKDLRQDNNVFPLAVALLDELFLSTRIDRENYQSTAAVALHIAGKVRA T0338 103 :ACLHPLEPLLDTKCDAYL 1f5qB 108 :YMPIKATQLAYLCGGATT T0338 123 :TRELVILETIMLQTLGFEITIEHPHTDVVKCTQLVRASKD 1f5qB 126 :ADKLLTLEVKSLDTLSWVADRCLSTDLICYILHIMHAPRE T0338 163 :LAQTSYFMATNSLH 1f5qB 170 :IYNLCRPKIFCALC T0338 178 :TTFCLQYKPTVIACVCIHLAC 1f5qB 184 :DGRSAMKRPVLITLACMHLTM T0338 201 :S 1f5qB 205 :N T0338 210 :DGK 1f5qB 206 :QKY T0338 221 :TVTLELLDELTHEFLQILEKTPNRLKK 1f5qB 223 :YITKEELHQCCDLVDIAIVSFDENYFK Number of specific fragments extracted= 10 number of extra gaps= 0 total=76 Number of alignments=11 # 1f5qB read from 1f5qB/merged-good-all-a2m # found chain 1f5qB in template set T0338 19 :RCGVEADKELSCRQQAAN 1f5qB 12 :SSLLNEEDCRQMIYRSER T0338 37 :LIQEMGQRLNVSQLTINTAIVYMHRFYMHHSFTKFNKNIISSTALFLAAKVEEQ 1f5qB 55 :WMFCVCKDLRQDNNVFPLAVALLDELFLSTRIDRENYQSTAAVALHIAGKVRAY T0338 91 :ARKLEHVIKVAH 1f5qB 110 :PIKATQLAYLCG T0338 119 :YLQQTRELVILETIMLQTLGFEITIEHPHTDVVKCTQLVRASKD 1f5qB 122 :GATTADKLLTLEVKSLDTLSWVADRCLSTDLICYILHIMHAPRE T0338 163 :LAQTSYFMATNSLH 1f5qB 170 :IYNLCRPKIFCALC T0338 178 :TTFCLQYKPTVIACVCIHLACK 1f5qB 184 :DGRSAMKRPVLITLACMHLTMN T0338 201 :SNWE 1f5qB 206 :QKYD T0338 215 :WEYVDPTVTLELLDELTHEFLQILEKTPNR 1f5qB 217 :GVCKSLYITKEELHQCCDLVDIAIVSFDEN Number of specific fragments extracted= 8 number of extra gaps= 0 total=84 Number of alignments=12 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1d3uB/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1d3uB expands to /projects/compbio/data/pdb/1d3u.pdb.gz 1d3uB:# T0338 read from 1d3uB/merged-good-all-a2m # 1d3uB read from 1d3uB/merged-good-all-a2m # adding 1d3uB to template set # found chain 1d3uB in template set T0338 24 :ADKELSCRQQAANLIQEMGQRLNVSQLTINTAIVYMHRFYMHHSFTKFNKNIISSTALFLAAKVE 1d3uB 1102 :SDAAERNLAFALSELDRITAQLKLPRHVEEEAARLYREAVRKGLIRGRSIESVMAACVYAACRLL T0338 103 :ACLHPLEPLLDT 1d3uB 1167 :KVPRTLDEIADI T0338 117 :DAY 1d3uB 1179 :ARV T0338 122 :QTRELVILETIMLQTLGFE 1d3uB 1182 :DKKEIGRSYRFIARNLNLT T0338 143 :IEHPHTDVVKCTQLVRASKDLAQTSYFMATNSLH 1d3uB 1205 :FVKPTDYVNKFADELGLSEKVRRRAIEILDEAYK T0338 178 :TTFCLQYKPTVIACVCIHLACKWSNWEIPV 1d3uB 1239 :RGLTSGKSPAGLVAAALYIASLLEGEKRTQ T0338 209 :TDGKHWWE 1d3uB 1269 :REVAEVAR T0338 222 :VTLELLDELTHEFLQI 1d3uB 1277 :VTEVTVRNRYKELVEK Number of specific fragments extracted= 8 number of extra gaps= 0 total=92 Number of alignments=13 # 1d3uB read from 1d3uB/merged-good-all-a2m # found chain 1d3uB in template set T0338 25 :DKELSCRQQAANLIQEMGQRLNVSQLTINTAIVYMHRFYMHHSFTKFNKNIISSTALFLAAKVEEQARKLEHVIKVAHAC 1d3uB 1103 :DAAERNLAFALSELDRITAQLKLPRHVEEEAARLYREAVRKGLIRGRSIESVMAACVYAACRLLKVPRTLDEIADIARVD T0338 123 :TRELVILETIMLQTLGFE 1d3uB 1183 :KKEIGRSYRFIARNLNLT T0338 144 :EHPHTDVVKCTQLVRASKDLAQTSYFMATNSLH 1d3uB 1206 :VKPTDYVNKFADELGLSEKVRRRAIEILDEAYK T0338 178 :TTFCLQYKPTVIACVCIHLACKWSNWEIP 1d3uB 1239 :RGLTSGKSPAGLVAAALYIASLLEGEKRT T0338 221 :TVTLELLDELTHEFLQI 1d3uB 1276 :RVTEVTVRNRYKELVEK Number of specific fragments extracted= 5 number of extra gaps= 0 total=97 Number of alignments=14 # 1d3uB read from 1d3uB/merged-good-all-a2m # found chain 1d3uB in template set T0338 28 :LSCRQQAANLIQEMGQRLNVSQLTINTAIVYMHRFYMHHSFTKFNKNIISSTALFLAAKVEEQARKLEHVIKVAH 1d3uB 1106 :ERNLAFALSELDRITAQLKLPRHVEEEAARLYREAVRKGLIRGRSIESVMAACVYAACRLLKVPRTLDEIADIAR T0338 121 :QQTRELVILETIMLQTLGFE 1d3uB 1181 :VDKKEIGRSYRFIARNLNLT T0338 142 :T 1d3uB 1205 :F T0338 144 :EHPHTDVVKCTQLVRASKDLAQTSYFMATNSLH 1d3uB 1206 :VKPTDYVNKFADELGLSEKVRRRAIEILDEAYK T0338 178 :TTFCLQYKPTVIACVCIHLACKWSNWEIPVS 1d3uB 1239 :RGLTSGKSPAGLVAAALYIASLLEGEKRTQR T0338 215 :WEYVDPTVTLELLDELTHEFLQI 1d3uB 1270 :EVAEVARVTEVTVRNRYKELVEK Number of specific fragments extracted= 6 number of extra gaps= 0 total=103 Number of alignments=15 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1kxu/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1kxu expands to /projects/compbio/data/pdb/1kxu.pdb.gz 1kxu:Warning: there is no chain 1kxu will retry with 1kxuA # T0338 read from 1kxu/merged-good-all-a2m # 1kxu read from 1kxu/merged-good-all-a2m # adding 1kxu to template set # found chain 1kxu in template set T0338 4 :RWFFTREQLEN 1kxu 27 :NRKFRCKAVAN T0338 15 :TPSRRCGVEADKELSCRQQAANLIQEMGQRLN 1kxu 41 :LPNDPVFLEPHEEMTLCKYYEKRLLEFCSVFK T0338 47 :VSQLTINTAIVYMHRFYMHHSFTKFNKNIISSTALFLAAKVEEQARKLEHVIKVA 1kxu 75 :MPRSVVGTACMYFKRFYLNNSVMEYHPRIIMLTCAFLACKVDEFNVSSPQFVGNL T0338 113 :DTKCDAYLQQTRELVILETIMLQTLGFEITIEHPHTDVVKCTQLVRASKD 1kxu 130 :RESPLGQEKALEQILEYELLLIQQLNFHLIVHNPYRPFEGFLIDLKTRYP T0338 163 :LAQTSYFMATNSLH 1kxu 187 :LRKTADDFLNRIAL T0338 178 :TTFCLQYKPTVIACVCIHLACKWSNWEIPVSTDGKHWWEYVD 1kxu 201 :TDAYLLYTPSQIALTAILSSASRAGITMESYLSESLMLKENR T0338 222 :VTLELLDELTHEFLQILEKTP 1kxu 243 :TCLSQLLDIMKSMRNLVKKYE T0338 243 :NRLKKIRNWR 1kxu 267 :SEEVAVLKQK Number of specific fragments extracted= 8 number of extra gaps= 0 total=111 Number of alignments=16 # 1kxu read from 1kxu/merged-good-all-a2m # found chain 1kxu in template set T0338 12 :LENTPSRRCGVEADKELSCRQQAANLIQEMGQRLN 1kxu 38 :GKVLPNDPVFLEPHEEMTLCKYYEKRLLEFCSVFK T0338 47 :VSQLTINTAIVYMHRFYMHHSFTKFNKNIISSTALFLAAKVEEQARKLEHVI 1kxu 75 :MPRSVVGTACMYFKRFYLNNSVMEYHPRIIMLTCAFLACKVDEFNVSSPQFV T0338 110 :PLLDTKCDAYLQQTRELVILETIMLQTLGFEITIEHPHTDVVKCTQLVRASKD 1kxu 127 :GNLRESPLGQEKALEQILEYELLLIQQLNFHLIVHNPYRPFEGFLIDLKTRYP T0338 163 :LAQTSYFMATNSLH 1kxu 187 :LRKTADDFLNRIAL T0338 178 :TTFCLQYKPTVIACVCIHLACKWSNWEIPVSTDGKHWWEYVD 1kxu 201 :TDAYLLYTPSQIALTAILSSASRAGITMESYLSESLMLKENR T0338 222 :VTLELLDELTHEFLQILEKTP 1kxu 243 :TCLSQLLDIMKSMRNLVKKYE T0338 243 :NRLKKIRN 1kxu 268 :EEVAVLKQ Number of specific fragments extracted= 7 number of extra gaps= 0 total=118 Number of alignments=17 # 1kxu read from 1kxu/merged-good-all-a2m # found chain 1kxu in template set T0338 15 :TPSRRCGVEADKELSCRQQAANLIQEMGQRLN 1kxu 41 :LPNDPVFLEPHEEMTLCKYYEKRLLEFCSVFK T0338 47 :VSQLTINTAIVYMHRFYMHHSFTKFNKNIISSTALFLAAKVEEQARKLEHVI 1kxu 75 :MPRSVVGTACMYFKRFYLNNSVMEYHPRIIMLTCAFLACKVDEFNVSSPQFV T0338 110 :PLLDTKCDAYLQQTRELVILETIMLQTLGFEITIEHPHTDVVKCTQLVRASKD 1kxu 127 :GNLRESPLGQEKALEQILEYELLLIQQLNFHLIVHNPYRPFEGFLIDLKTRYP T0338 163 :LAQTSYFMATNSLH 1kxu 187 :LRKTADDFLNRIAL T0338 178 :TTFCLQYKPTVIACVCIHLACKWSNWEIPVSTDGKHWWEYVDP 1kxu 201 :TDAYLLYTPSQIALTAILSSASRAGITMESYLSESLMLKENRT T0338 223 :TLELLDELTHEFLQILEKTPNRL 1kxu 244 :CLSQLLDIMKSMRNLVKKYEPPR Number of specific fragments extracted= 6 number of extra gaps= 0 total=124 Number of alignments=18 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1zp2A/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/T0338/1zp2A/merged-good-all-a2m or /projects/compbio/experiments/protein-predict/casp7/T0338/1zp2A/merged-good-all-a2m.gz for input Trying 1zp2A/merged-good-all-a2m Error: Couldn't open file 1zp2A/merged-good-all-a2m or 1zp2A/merged-good-all-a2m.gz for input # Reading fragments from alignment file # Attempting to read fragment alignments from file 1jkw/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1jkw expands to /projects/compbio/data/pdb/1jkw.pdb.gz 1jkw:Warning: there is no chain 1jkw will retry with 1jkwA # T0338 read from 1jkw/merged-good-all-a2m # 1jkw read from 1jkw/merged-good-all-a2m # adding 1jkw to template set # found chain 1jkw in template set T0338 4 :RWFFTREQLEN 1jkw 27 :NRKFRCKAVAN T0338 15 :TPSRRCGVEADKELSCRQQAANLIQEMGQRLN 1jkw 41 :LPNDPVFLEPHEEMTLCKYYEKRLLEFCSVFK T0338 47 :VSQLTINTAIVYMHRFYMHHSFTKFNKNIISSTALFLAAKVEEQARKLEHVIKVA 1jkw 75 :MPRSVVGTACMYFKRFYLNNSVMEYHPRIIMLTCAFLACKVDEFNVSSPQFVGNL T0338 113 :DTKCDAYLQQTRELVILETIMLQTLGFEITIEHPHTDVVKCTQLVRAS 1jkw 130 :RESPLGQEKALEQILEYELLLIQQLNFHLIVHNPYRPFEGFLIDLKTR T0338 161 :KDLAQTSYFMATNSLH 1jkw 185 :EILRKTADDFLNRIAL T0338 178 :TTFCLQYKPTVIACVCIHLACKWSNWEI 1jkw 201 :TDAYLLYTPSQIALTAILSSASRAGITM T0338 209 :TD 1jkw 229 :ES T0338 211 :GKHWWEYVDPTVTLELLDELTHEFLQILEKTP 1jkw 232 :LSESLMLKENRTCLSQLLDIMKSMRNLVKKYE T0338 243 :NRLKKIRNWRA 1jkw 267 :SEEVAVLKQKL Number of specific fragments extracted= 9 number of extra gaps= 0 total=133 Number of alignments=19 # 1jkw read from 1jkw/merged-good-all-a2m # found chain 1jkw in template set T0338 11 :QLENTPSRRCGVEADKELSCRQQAANLIQEMGQRLN 1jkw 37 :NGKVLPNDPVFLEPHEEMTLCKYYEKRLLEFCSVFK T0338 47 :VSQLTINTAIVYMHRFYMHHSFTKFNKNIISSTALFLAAKVEEQARKLEHVI 1jkw 75 :MPRSVVGTACMYFKRFYLNNSVMEYHPRIIMLTCAFLACKVDEFNVSSPQFV T0338 110 :PLLDTKCDAYLQQTRELVILETIMLQTLGFEITIEHPHTDVVKCTQLVRASKD 1jkw 127 :GNLRESPLGQEKALEQILEYELLLIQQLNFHLIVHNPYRPFEGFLIDLKTRYP T0338 163 :LAQTSYFMATNSLH 1jkw 187 :LRKTADDFLNRIAL T0338 178 :TTFCLQYKPTVIACVCIHLACKWSNWEIPV 1jkw 201 :TDAYLLYTPSQIALTAILSSASRAGITMES T0338 208 :STDG 1jkw 238 :LKEN T0338 221 :TVTLELLDELTHEFLQILEKTP 1jkw 242 :RTCLSQLLDIMKSMRNLVKKYE T0338 243 :NRLKKIRN 1jkw 268 :EEVAVLKQ Number of specific fragments extracted= 8 number of extra gaps= 0 total=141 Number of alignments=20 # 1jkw read from 1jkw/merged-good-all-a2m # found chain 1jkw in template set T0338 15 :TPSRRCGVEADKELSCRQQAANLIQEMGQRLN 1jkw 41 :LPNDPVFLEPHEEMTLCKYYEKRLLEFCSVFK T0338 47 :VSQLTINTAIVYMHRFYMHHSFTKFNKNIISSTALFLAAKVEEQARKLEHVI 1jkw 75 :MPRSVVGTACMYFKRFYLNNSVMEYHPRIIMLTCAFLACKVDEFNVSSPQFV T0338 110 :PLLDTKCDAYLQQTRELVILETIMLQTLGFEITIEHPHTDVVKCTQLVRASKD 1jkw 127 :GNLRESPLGQEKALEQILEYELLLIQQLNFHLIVHNPYRPFEGFLIDLKTRYP T0338 163 :LAQTSYFMATNSLH 1jkw 187 :LRKTADDFLNRIAL T0338 178 :TTFCLQYKPTVIACVCIHLACKWSNWEIPVSTD 1jkw 201 :TDAYLLYTPSQIALTAILSSASRAGITMESYLS T0338 215 :WEYVDPTVTLELLDELTHEFLQILEKTPNRL 1jkw 236 :LMLKENRTCLSQLLDIMKSMRNLVKKYEPPR Number of specific fragments extracted= 6 number of extra gaps= 0 total=147 Number of alignments=21 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1w98B/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1w98B expands to /projects/compbio/data/pdb/1w98.pdb.gz 1w98B:# T0338 read from 1w98B/merged-good-all-a2m # 1w98B read from 1w98B/merged-good-all-a2m # adding 1w98B to template set # found chain 1w98B in template set Warning: unaligning (T0338)L226 because of BadResidue code BAD_PEPTIDE in next template residue (1w98B)I309 Warning: unaligning (T0338)L227 because of BadResidue code BAD_PEPTIDE at template residue (1w98B)I309 T0338 3 :SRWFFTREQLENTPSR 1w98B 101 :VWKIMLNKEKTYLRDQ T0338 19 :RCGVEADKELSCRQQAANLIQEMGQRLNVSQLTINTAIVYMHRFYMH 1w98B 118 :FLEQHPLLQPKMRAILLDWLMEVCEVYKLHRETFYLAQDFFDRYMAT T0338 66 :HSFTKFNKNIISSTALFLAAKVEE 1w98B 166 :ENVVKTLLQLIGISSLFIAAKLEE T0338 103 :ACLHPLEPLLDTKCDAY 1w98B 190 :IYPPKLHQFAYVTDGAC T0338 122 :QTRELVILETIMLQTLGFEITIEHPHTDVVKCTQLVRASKD 1w98B 207 :SGDEILTMELMIMKALKWRLSPLTIVSWLNVYMQVAYLNDL T0338 163 :LAQTS 1w98B 260 :FIQIA T0338 169 :FMATNSLH 1w98B 265 :ELLDLCVL T0338 178 :TTFCLQYKPTVIACVCIHL 1w98B 273 :DVDCLEFPYGILAASALYH T0338 206 :PVSTD 1w98B 292 :FSSSE T0338 211 :GKHWWE 1w98B 298 :MQKVSG T0338 222 :VTLE 1w98B 304 :YQWC T0338 228 :DELTHEFLQILEK 1w98B 310 :ENCVKWMVPFAMV T0338 249 :R 1w98B 323 :I Number of specific fragments extracted= 13 number of extra gaps= 1 total=160 Number of alignments=22 # 1w98B read from 1w98B/merged-good-all-a2m # found chain 1w98B in template set Warning: unaligning (T0338)L226 because of BadResidue code BAD_PEPTIDE in next template residue (1w98B)I309 Warning: unaligning (T0338)L227 because of BadResidue code BAD_PEPTIDE at template residue (1w98B)I309 T0338 3 :SRWFFTREQLENTPSRRCGVEADKELSCRQQAANLIQEMGQRLNVSQLTINTAIVYMHRFYMH 1w98B 102 :WKIMLNKEKTYLRDQHFLEQHPLLQPKMRAILLDWLMEVCEVYKLHRETFYLAQDFFDRYMAT T0338 66 :HSFTKFNKNIISSTALFLAAKVEE 1w98B 166 :ENVVKTLLQLIGISSLFIAAKLEE T0338 103 :ACLHPLEPLLDTKCDAYL 1w98B 190 :IYPPKLHQFAYVTDGACS T0338 123 :TRELVILETIMLQTLGFEITIEHPHTDVVKCTQLVRASKD 1w98B 208 :GDEILTMELMIMKALKWRLSPLTIVSWLNVYMQVAYLNDL T0338 163 :LAQTS 1w98B 260 :FIQIA T0338 169 :FMATNSLH 1w98B 265 :ELLDLCVL T0338 178 :TTFCLQYKPTVIACVCIHL 1w98B 273 :DVDCLEFPYGILAASALYH T0338 197 :ACKWS 1w98B 298 :MQKVS T0338 221 :TVTLE 1w98B 303 :GYQWC T0338 228 :DELTHEFLQILEKTP 1w98B 310 :ENCVKWMVPFAMVIR Number of specific fragments extracted= 10 number of extra gaps= 1 total=170 Number of alignments=23 # 1w98B read from 1w98B/merged-good-all-a2m # found chain 1w98B in template set Warning: unaligning (T0338)L226 because of BadResidue code BAD_PEPTIDE in next template residue (1w98B)I309 Warning: unaligning (T0338)L227 because of BadResidue code BAD_PEPTIDE at template residue (1w98B)I309 T0338 18 :RRCGVE 1w98B 121 :QHPLLQ T0338 28 :LSCRQQAANLIQEMGQRLNVSQLTINTAIVYMHRFYMHH 1w98B 127 :PKMRAILLDWLMEVCEVYKLHRETFYLAQDFFDRYMATQ T0338 67 :SFTKFNKNIISSTALFLAAKVEEQARKLEHVIKVAHA 1w98B 167 :NVVKTLLQLIGISSLFIAAKLEEIYPPKLHQFAYVTD T0338 119 :YLQQTRELVILETIMLQTLGFEITIEHPHTDVVKCTQLVRASKD 1w98B 204 :GACSGDEILTMELMIMKALKWRLSPLTIVSWLNVYMQVAYLNDL T0338 163 :LAQTSYFMATNSL 1w98B 260 :FIQIAELLDLCVL T0338 178 :TTFCLQYKPTVIACVCIHL 1w98B 273 :DVDCLEFPYGILAASALYH T0338 210 :DGKHWWEYVDPTVTLE 1w98B 292 :FSSSELMQKVSGYQWC T0338 228 :DELTHEFLQILEKTP 1w98B 310 :ENCVKWMVPFAMVIR Number of specific fragments extracted= 8 number of extra gaps= 1 total=178 Number of alignments=24 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1volA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1volA expands to /projects/compbio/data/pdb/1vol.pdb.gz 1volA:# T0338 read from 1volA/merged-good-all-a2m # 1volA read from 1volA/merged-good-all-a2m # adding 1volA to template set # found chain 1volA in template set Warning: unaligning (T0338)C181 because of BadResidue code BAD_PEPTIDE in next template residue (1volA)P246 Warning: unaligning (T0338)L182 because of BadResidue code BAD_PEPTIDE at template residue (1volA)P246 T0338 34 :AANLIQEMGQRLNVSQLTINTAIVYMHRFYMHHSFTKFNKNIISSTALFLAAKVEE 1volA 117 :AFKEITTMADRINLPRNKVDRTNNLFRQAYEQKSLKGRANDAIASACLYIACRQEG T0338 104 :CLHPLEPLLDT 1volA 173 :VPRTFKEICAV T0338 117 :DAY 1volA 184 :SRI T0338 122 :QTRELVILETIMLQTLGFEITIEHPHTDVVKCTQLVRASKDLAQTSYFMATNSLH 1volA 187 :SKKEIGRCFKLILKALETSVDLITTGDFMSRFCSNLCLPKQVQMAATHIARKAVE T0338 178 :TTF 1volA 242 :LDL T0338 183 :QYKPTVIACVCIHLACKWSNWEIPV 1volA 247 :GRSPISVAAAAIYMASQASAEKRTQ T0338 209 :TDGKHWWE 1volA 272 :KEIGDIAG T0338 222 :VTLELLDELTHEF 1volA 280 :VADVTIRQSYRLI Number of specific fragments extracted= 8 number of extra gaps= 1 total=186 Number of alignments=25 # 1volA read from 1volA/merged-good-all-a2m # found chain 1volA in template set Warning: unaligning (T0338)C181 because of BadResidue code BAD_PEPTIDE in next template residue (1volA)P246 Warning: unaligning (T0338)L182 because of BadResidue code BAD_PEPTIDE at template residue (1volA)P246 T0338 34 :AANLIQEMGQRLNVSQLTINTAIVYMHRFYMHHSFTKFNKNIISSTALFLAAKVEEQARKLEHVIKVAHAC 1volA 117 :AFKEITTMADRINLPRNKVDRTNNLFRQAYEQKSLKGRANDAIASACLYIACRQEGVPRTFKEICAVSRIS T0338 123 :TRELVILETIMLQTLGFEITIEHPHTDVVKCTQLVRASKDLAQTSYFMATNSLH 1volA 188 :KKEIGRCFKLILKALETSVDLITTGDFMSRFCSNLCLPKQVQMAATHIARKAVE T0338 178 :TTF 1volA 242 :LDL T0338 183 :QYKPTVIACVCIHLACKWSNWEIP 1volA 247 :GRSPISVAAAAIYMASQASAEKRT T0338 221 :TVTLELLDELTHEF 1volA 279 :GVADVTIRQSYRLI Number of specific fragments extracted= 5 number of extra gaps= 1 total=191 Number of alignments=26 # 1volA read from 1volA/merged-good-all-a2m # found chain 1volA in template set Warning: unaligning (T0338)C181 because of BadResidue code BAD_PEPTIDE in next template residue (1volA)P246 Warning: unaligning (T0338)L182 because of BadResidue code BAD_PEPTIDE at template residue (1volA)P246 T0338 34 :AANLIQEMGQRLNVSQLTINTAIVYMHRFYMHHSFTKFNKNIISSTALFLAAKVEEQARKLE 1volA 117 :AFKEITTMADRINLPRNKVDRTNNLFRQAYEQKSLKGRANDAIASACLYIACRQEGVPRTFK T0338 100 :VAHA 1volA 179 :EICA T0338 118 :AYLQQTRELVILETIMLQTLGFEITIEHPHTDVVKCTQLVRASKDLAQTSYFMATNSLH 1volA 183 :VSRISKKEIGRCFKLILKALETSVDLITTGDFMSRFCSNLCLPKQVQMAATHIARKAVE T0338 178 :TTF 1volA 242 :LDL T0338 183 :QYKPTVIACVCIHLACKWSNWEIPVS 1volA 247 :GRSPISVAAAAIYMASQASAEKRTQK T0338 215 :WEYVDPTVTLELLDELTHEF 1volA 273 :EIGDIAGVADVTIRQSYRLI Number of specific fragments extracted= 6 number of extra gaps= 1 total=197 Number of alignments=27 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1vin/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1vin expands to /projects/compbio/data/pdb/1vin.pdb.gz 1vin:Warning: there is no chain 1vin will retry with 1vinA # T0338 read from 1vin/merged-good-all-a2m # 1vin read from 1vin/merged-good-all-a2m # adding 1vin to template set # found chain 1vin in template set Warning: unaligning (T0338)S2 because first residue in template chain is (1vin)D181 Warning: unaligning (T0338)R158 because of BadResidue code BAD_PEPTIDE at template residue (1vin)P324 T0338 3 :SRWFFTREQLENTPSR 1vin 182 :IHTYLREMEVKCKPKV T0338 19 :RCGVEADKELSCRQQAANLIQEMGQRLNVSQLTINTAIVYMHRFYMHHSFTKFNKNIISSTALFLAAKVEE 1vin 199 :YMKKQPDITNSMRAILVDWLVEVGEEYKLQNETLHLAVNYIDRFLSSMSVLRGKLQLVGTAAMLLASKFEE T0338 103 :ACLHPLEPLLDTKCDAY 1vin 270 :IYPPEVAEFVYITDDTY T0338 122 :QTRELVILETIMLQTLGFEITIEHPHTDVVKCTQLV 1vin 287 :TKKQVLRMEHLVLKVLAFDLAAPTINQFLTQYFLHQ T0338 159 :ASKDLAQTSYFMATNSLHLTTFCLQYKPTVIACVCIHLACKWSNWE 1vin 325 :ANCKVESLAMFLGELSLIDADPYLKYLPSVIAAAAFHLALYTVTGQ T0338 206 :PVSTDGKHWWE 1vin 371 :SWPESLVQKTG T0338 222 :VTLELLDELTHEFLQILEKTPNRLKKIRNWRANQ 1vin 382 :YTLETLKPCLLDLHQTYLRAPQHAQQSIREKYKN Number of specific fragments extracted= 7 number of extra gaps= 1 total=204 Number of alignments=28 # 1vin read from 1vin/merged-good-all-a2m # found chain 1vin in template set Warning: unaligning (T0338)R158 because of BadResidue code BAD_PEPTIDE in next template residue (1vin)P324 T0338 3 :SRWFFTREQLENTPSRRCGVEADKELSCRQQAANLIQEMGQRLNVSQLTINTAIVYMHRFYMHHSFTKFNKNIISSTALFLAAKVEE 1vin 183 :HTYLREMEVKCKPKVGYMKKQPDITNSMRAILVDWLVEVGEEYKLQNETLHLAVNYIDRFLSSMSVLRGKLQLVGTAAMLLASKFEE T0338 103 :ACLHPLEPLLDTKCDAYL 1vin 270 :IYPPEVAEFVYITDDTYT T0338 123 :TRELVILETIMLQTLGFEITIEHPHTDVVKCTQLV 1vin 288 :KKQVLRMEHLVLKVLAFDLAAPTINQFLTQYFLHQ T0338 159 :ASKDLAQTSYFMATNSLHLTTFCLQYKPTVIACVCIHLACKWSNW 1vin 325 :ANCKVESLAMFLGELSLIDADPYLKYLPSVIAAAAFHLALYTVTG T0338 206 :PVSTDGKHWWE 1vin 370 :QSWPESLVQKT T0338 221 :TVTLELLDELTHEFLQILEKTPNRLKKIRNWRANQ 1vin 381 :GYTLETLKPCLLDLHQTYLRAPQHAQQSIREKYKN Number of specific fragments extracted= 6 number of extra gaps= 1 total=210 Number of alignments=29 # 1vin read from 1vin/merged-good-all-a2m # found chain 1vin in template set Warning: unaligning (T0338)R158 because of BadResidue code BAD_PEPTIDE at template residue (1vin)P324 T0338 2 :SSRWFFTREQLENTPSRRC 1vin 182 :IHTYLREMEVKCKPKVGYM T0338 21 :GVEAD 1vin 205 :DITNS T0338 30 :CRQQAANLIQEMGQRLNVSQLTINTAIVYMHRFYMHHSFTKFNKNIISSTALFLAAKVEEQARKLEHVIKVAHA 1vin 210 :MRAILVDWLVEVGEEYKLQNETLHLAVNYIDRFLSSMSVLRGKLQLVGTAAMLLASKFEEIYPPEVAEFVYITD T0338 119 :YLQQTRELVILETIMLQTLGFEITIEHPHTDVVKCTQLV 1vin 284 :DTYTKKQVLRMEHLVLKVLAFDLAAPTINQFLTQYFLHQ T0338 159 :ASKDLAQTSYFMATNSLHLTTFCLQYKPTVIACVCIHLACKWSNWEIPVS 1vin 325 :ANCKVESLAMFLGELSLIDADPYLKYLPSVIAAAAFHLALYTVTGQSWPE T0338 215 :WEYVDPTVTLELLDELTHEFLQILEKTPN 1vin 375 :SLVQKTGYTLETLKPCLLDLHQTYLRAPQ Number of specific fragments extracted= 6 number of extra gaps= 1 total=216 Number of alignments=30 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2c5nB/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/T0338/2c5nB/merged-good-all-a2m or /projects/compbio/experiments/protein-predict/casp7/T0338/2c5nB/merged-good-all-a2m.gz for input Trying 2c5nB/merged-good-all-a2m Error: Couldn't open file 2c5nB/merged-good-all-a2m or 2c5nB/merged-good-all-a2m.gz for input # Reading fragments from alignment file # Attempting to read fragment alignments from file 2cchB/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2cchB expands to /projects/compbio/data/pdb/2cch.pdb.gz 2cchB:Skipped atom 2639, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 2641, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 2643, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 2645, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 2647, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 2649, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 3086, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 3088, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 3090, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 3092, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 3094, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 3096, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 3737, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 3739, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 3741, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 3743, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 3745, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 3747, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 3774, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 3776, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 3778, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 3780, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 3782, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 3784, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 3799, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 3801, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 3803, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 3805, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 3807, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 3809, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 3811, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 3813, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 3917, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 3919, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 3921, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 3923, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 3925, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 3927, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 3929, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 3931, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 3982, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 3984, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 3986, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 3988, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 3990, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 3992, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 3994, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 3996, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 4096, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 4098, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 4100, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 4102, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 4104, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 4106, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 4108, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 4110, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 4112, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 4275, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 4277, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 4279, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 4281, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 4283, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 4285, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 4287, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 4289, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 4496, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 4498, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 4500, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 4502, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 4504, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 4506, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 4594, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 4596, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 4598, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 4600, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 4602, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 4604, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 4606, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 4608, because occupancy 0.500 <= existing 0.500 in 2cchB Skipped atom 4610, because occupancy 0.500 <= existing 0.500 in 2cchB # T0338 read from 2cchB/merged-good-all-a2m # 2cchB read from 2cchB/merged-good-all-a2m # adding 2cchB to template set # found chain 2cchB in template set Warning: unaligning (T0338)F180 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2cchB)Y347 Warning: unaligning (T0338)C181 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2cchB)Y347 T0338 2 :SSRWFFTREQLENTPSR 2cchB 181 :DIHTYLREMEVKCKPKV T0338 19 :RCGVEADKELSCRQQAANLIQEMGQRLNVSQLTINTAIVYMHRFYMHHSFTKFNKNIISSTALFLAAKVEE 2cchB 199 :YMKKQPDITNSMRAILVDWLVEVGEEYKLQNETLHLAVNYIDRFLSSMSVLRGKLQLVGTAAMLLASKFEE T0338 103 :ACLHPLEPLLDTKCDAY 2cchB 270 :IYPPEVAEFVYITDDTY T0338 122 :QTRELVILETIMLQTLGFEITIEHPHTDVVKCTQLVR 2cchB 287 :TKKQVLRMEHLVLKVLTFDLAAPTVNQFLTQYFLHQQ T0338 159 :ASKDLAQTSYFMATNSLHLTT 2cchB 325 :ANCKVESLAMFLGELSLIDAD T0338 182 :LQYKPTVIACVCIHLACKWSNWE 2cchB 348 :LKYLPSVIAGAAFHLALYTVTGQ T0338 206 :PVSTDGKHWWE 2cchB 371 :SWPESLIRKTG T0338 222 :VTLELLDELTHEFLQILEKTPNRLKKIRNWRANQ 2cchB 382 :YTLESLKPCLMDLHQTYLKAPQHAQQSIREKYKN Number of specific fragments extracted= 8 number of extra gaps= 1 total=224 Number of alignments=31 # 2cchB read from 2cchB/merged-good-all-a2m # found chain 2cchB in template set Warning: unaligning (T0338)F180 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2cchB)Y347 Warning: unaligning (T0338)C181 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2cchB)Y347 T0338 3 :SRWFFTREQLENTPSRRCGVEADKELSCRQQAANLIQEMGQRLNVSQLTINTAIVYMHRFYMHHSFTKFNKNIISSTALFLAAKVEE 2cchB 183 :HTYLREMEVKCKPKVGYMKKQPDITNSMRAILVDWLVEVGEEYKLQNETLHLAVNYIDRFLSSMSVLRGKLQLVGTAAMLLASKFEE T0338 103 :ACLHPLEPLLDTKCDAYL 2cchB 270 :IYPPEVAEFVYITDDTYT T0338 123 :TRELVILETIMLQTLGFEITIEHPHTDVVKCTQLVR 2cchB 288 :KKQVLRMEHLVLKVLTFDLAAPTVNQFLTQYFLHQQ T0338 159 :ASKDLAQTSYFMATNSLHLTT 2cchB 325 :ANCKVESLAMFLGELSLIDAD T0338 182 :LQYKPTVIACVCIHLACKWSNW 2cchB 348 :LKYLPSVIAGAAFHLALYTVTG T0338 206 :PVSTDGKHWWE 2cchB 370 :QSWPESLIRKT T0338 221 :TVTLELLDELTHEFLQILEKTPNRLKKIRNWRANQ 2cchB 381 :GYTLESLKPCLMDLHQTYLKAPQHAQQSIREKYKN Number of specific fragments extracted= 7 number of extra gaps= 1 total=231 Number of alignments=32 # 2cchB read from 2cchB/merged-good-all-a2m # found chain 2cchB in template set Warning: unaligning (T0338)F180 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2cchB)Y347 Warning: unaligning (T0338)C181 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2cchB)Y347 T0338 4 :RWFFTREQLENTPSRRCGVEADKELSCRQQAANLIQEMGQRLNVSQLTINTAIVYMHRFYMHHSFTKFNKNIISSTALFLAAKVEEQARKLEHVIKVAHA 2cchB 184 :TYLREMEVKCKPKVGYMKKQPDITNSMRAILVDWLVEVGEEYKLQNETLHLAVNYIDRFLSSMSVLRGKLQLVGTAAMLLASKFEEIYPPEVAEFVYITD T0338 119 :YLQQTRELVILETIMLQTLGFEITIEHPHTDVVKCTQLV 2cchB 284 :DTYTKKQVLRMEHLVLKVLTFDLAAPTVNQFLTQYFLHQ T0338 158 :RASKDLAQTSYFMATNSLHLTT 2cchB 324 :PANCKVESLAMFLGELSLIDAD T0338 182 :LQYKPTVIACVCIHLACKWSNWEIPVS 2cchB 348 :LKYLPSVIAGAAFHLALYTVTGQSWPE T0338 215 :WEYVDPTVTLELLDELTHEFLQILEKTPN 2cchB 375 :SLIRKTGYTLESLKPCLMDLHQTYLKAPQ Number of specific fragments extracted= 5 number of extra gaps= 1 total=236 Number of alignments=33 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1e9hB/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/T0338/1e9hB/merged-good-all-a2m or /projects/compbio/experiments/protein-predict/casp7/T0338/1e9hB/merged-good-all-a2m.gz for input Trying 1e9hB/merged-good-all-a2m Error: Couldn't open file 1e9hB/merged-good-all-a2m or 1e9hB/merged-good-all-a2m.gz for input # Reading fragments from alignment file # Attempting to read fragment alignments from file 1bu2A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1bu2A expands to /projects/compbio/data/pdb/1bu2.pdb.gz 1bu2A:# T0338 read from 1bu2A/merged-good-all-a2m # 1bu2A read from 1bu2A/merged-good-all-a2m # adding 1bu2A to template set # found chain 1bu2A in template set T0338 7 :FTREQLENTPSR 1bu2A 26 :NLKLRELLLPKF T0338 19 :RCGVEADKELSCRQQAANLIQEMGQRLNVSQLTINTAIVYMHRFYMHHSFTKFNKNIISSTALFLAAKVEE 1bu2A 40 :LWEIQTEVTVDNRTILLTWMHLLCESFELDKSVFPLSVSILDRYLCKKQGTKKTLQKIGAACVLIGSKIRT T0338 103 :ACLHPLEPLLDTKCDAY 1bu2A 111 :VKPMTVSKLTYLSCDCF T0338 122 :QTRELVILETIMLQTLGFEITIEHPHTDVVKCTQLVRAS 1bu2A 128 :TNLELINQEKDILEALKWDTEAVLATDFLIPLCNALKIP T0338 161 :KDLAQTSYFMATNSLH 1bu2A 171 :PQLYEAASTTICKALI T0338 178 :TTFCLQYKPTVIACVCIHLACKWSN 1bu2A 187 :QPNIALLSPGLICAGGLLTTIETDN T0338 203 :WEIPVSTDGKHWWEYVD 1bu2A 213 :NCRPWTCYLEDLSSILN T0338 226 :LLDELTHEFLQILEKTPNRL 1bu2A 230 :FSTNTVRTVKDQVSEAFSLY Number of specific fragments extracted= 8 number of extra gaps= 0 total=244 Number of alignments=34 # 1bu2A read from 1bu2A/merged-good-all-a2m # found chain 1bu2A in template set T0338 3 :SRWFFTREQLENTPSRRCGVEADKELSCRQQAANLIQEMGQRLNVSQLTINTAIVYMHRFYMHHSFTKFNKNIISSTALFLAAKVEE 1bu2A 24 :LNNLKLRELLLPKFTSLWEIQTEVTVDNRTILLTWMHLLCESFELDKSVFPLSVSILDRYLCKKQGTKKTLQKIGAACVLIGSKIRT T0338 103 :ACLHPLEPLLDTKCDAYL 1bu2A 111 :VKPMTVSKLTYLSCDCFT T0338 123 :TRELVILETIMLQTLGFEITIEHPHTDVVKCTQLVRASKD 1bu2A 129 :NLELINQEKDILEALKWDTEAVLATDFLIPLCNALKIPED T0338 163 :LAQTSYFMATNSLH 1bu2A 173 :LYEAASTTICKALI T0338 178 :TTFCLQYKPTVIACVCIHLACKWSNWEIP 1bu2A 187 :QPNIALLSPGLICAGGLLTTIETDNTNCR T0338 207 :VSTDGK 1bu2A 223 :DLSSIL T0338 225 :ELLDELTHEFLQILEKTPNR 1bu2A 229 :NFSTNTVRTVKDQVSEAFSL Number of specific fragments extracted= 7 number of extra gaps= 0 total=251 Number of alignments=35 # 1bu2A read from 1bu2A/merged-good-all-a2m # found chain 1bu2A in template set T0338 23 :EAD 1bu2A 48 :TVD T0338 30 :CRQQAANLIQEMGQRLNVSQLTINTAIVYMHRFYMHHSFTKFNKNIISSTALFLAAKVEEQARKLEHVIKVAHA 1bu2A 51 :NRTILLTWMHLLCESFELDKSVFPLSVSILDRYLCKKQGTKKTLQKIGAACVLIGSKIRTVKPMTVSKLTYLSC T0338 119 :YLQQTRELVILETIMLQTLGFEITIEHPHTDVVKCTQLV 1bu2A 125 :DCFTNLELINQEKDILEALKWDTEAVLATDFLIPLCNAL T0338 158 :RASKDLAQTSYFMATNSLH 1bu2A 168 :DLWPQLYEAASTTICKALI T0338 178 :TTFCLQYKPTVIACVCIHLACKWSNWE 1bu2A 187 :QPNIALLSPGLICAGGLLTTIETDNTN T0338 210 :DGKHWWEYVDPTVTLELLDELTHEFLQILEKTPNRL 1bu2A 214 :CRPWTCYLEDLSSILNFSTNTVRTVKDQVSEAFSLY Number of specific fragments extracted= 6 number of extra gaps= 0 total=257 Number of alignments=36 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2g9xB/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/T0338/2g9xB/merged-good-all-a2m or /projects/compbio/experiments/protein-predict/casp7/T0338/2g9xB/merged-good-all-a2m.gz for input Trying 2g9xB/merged-good-all-a2m Error: Couldn't open file 2g9xB/merged-good-all-a2m or 2g9xB/merged-good-all-a2m.gz for input # Reading fragments from alignment file # Attempting to read fragment alignments from file 1g3nC/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1g3nC expands to /projects/compbio/data/pdb/1g3n.pdb.gz 1g3nC:# T0338 read from 1g3nC/merged-good-all-a2m # 1g3nC read from 1g3nC/merged-good-all-a2m # adding 1g3nC to template set # found chain 1g3nC in template set Warning: unaligning (T0338)S17 because of BadResidue code BAD_PEPTIDE in next template residue (1g3nC)D36 Warning: unaligning (T0338)R18 because of BadResidue code BAD_PEPTIDE at template residue (1g3nC)D36 Warning: unaligning (T0338)V207 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1g3nC)G219 T0338 3 :SRWFFTREQLENTP 1g3nC 21 :IFYNILEIEPRFLT T0338 19 :RC 1g3nC 37 :SV T0338 23 :EADKELSCRQQAANLIQEMGQRLNVSQLTINTAIVYMHRFYMHHSFTKFNKNIISSTALFLAAKVEE 1g3nC 43 :QQSLTSHMRKLLGTWMFSVCQEYNLEPNVVALALNLLDRLLLIKQVSKEHFQKTGSACLLVASKLRS T0338 103 :ACLHPLEPLLDTKCDAY 1g3nC 110 :LTPISTSSLCYAAADSF T0338 122 :QTRELVILETIMLQTLGFEITIEHPHTDVVKCTQLVRASKD 1g3nC 127 :SRQELIDQEKELLEKLAWRTEAVLATDVTSFLLLKLVGGSQ T0338 163 :LAQTSYFMATNSLH 1g3nC 172 :WHHEVNTLITKALV T0338 178 :TTFCLQYKPTVIACVCIHLAC 1g3nC 186 :DPLTGSLPASIISAAGCALLV T0338 205 :IP 1g3nC 211 :IP T0338 208 :STDGKHWWE 1g3nC 221 :VPQLASILG T0338 222 :VTLELLDELTHEFLQILEKTP 1g3nC 230 :CDVSVLQAAVEQILTSVSDFD Number of specific fragments extracted= 10 number of extra gaps= 1 total=267 Number of alignments=37 # 1g3nC read from 1g3nC/merged-good-all-a2m # found chain 1g3nC in template set Warning: unaligning (T0338)T15 because of BadResidue code BAD_PEPTIDE in next template residue (1g3nC)D36 Warning: unaligning (T0338)P16 because of BadResidue code BAD_PEPTIDE at template residue (1g3nC)D36 T0338 3 :SRWFFTRE 1g3nC 22 :FYNILEIE T0338 11 :QLEN 1g3nC 31 :RFLT T0338 17 :SRRCGVEADKELSCRQQAANLIQEMGQRLNVSQLTINTAIVYMHRFYMHHSFTKFNKNIISSTALFLAAKVEEQ 1g3nC 37 :SVFGTFQQSLTSHMRKLLGTWMFSVCQEYNLEPNVVALALNLLDRLLLIKQVSKEHFQKTGSACLLVASKLRSL T0338 91 :ARKLEHVIKVAHAC 1g3nC 112 :PISTSSLCYAAADS T0338 119 :YL 1g3nC 126 :FS T0338 123 :TRELVILETIMLQTLGFEITIEHPHTDVVKCTQLVRASKD 1g3nC 128 :RQELIDQEKELLEKLAWRTEAVLATDVTSFLLLKLVGGSQ T0338 163 :LAQTSYFMATNSLH 1g3nC 172 :WHHEVNTLITKALV T0338 178 :TTFCLQYKPTVIACVCIHLA 1g3nC 186 :DPLTGSLPASIISAAGCALL T0338 205 :IPVST 1g3nC 206 :VPANV T0338 212 :K 1g3nC 211 :I T0338 221 :TVTLELLDELTHEFLQILEKTP 1g3nC 229 :GCDVSVLQAAVEQILTSVSDFD Number of specific fragments extracted= 11 number of extra gaps= 1 total=278 Number of alignments=38 # 1g3nC read from 1g3nC/merged-good-all-a2m # found chain 1g3nC in template set Warning: unaligning (T0338)G211 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1g3nC)G219 T0338 28 :LSCRQQAANLIQEMGQRLNVSQLTINTAIVYMHRFYMHHSFTKFNKNIISSTALFLAAKVEE 1g3nC 48 :SHMRKLLGTWMFSVCQEYNLEPNVVALALNLLDRLLLIKQVSKEHFQKTGSACLLVASKLRS T0338 90 :QARKLEHVIKVAHA 1g3nC 111 :TPISTSSLCYAAAD T0338 120 :LQQTRELVILETIMLQTLGFEITIEHPHTDVVKCTQLVRASKD 1g3nC 125 :SFSRQELIDQEKELLEKLAWRTEAVLATDVTSFLLLKLVGGSQ T0338 163 :LAQTSYFMATNSLH 1g3nC 172 :WHHEVNTLITKALV T0338 178 :TTFCLQYKPTVIACVCIHLA 1g3nC 186 :DPLTGSLPASIISAAGCALL T0338 205 :IPVSTD 1g3nC 206 :VPANVI T0338 212 :KHWWEYVDPTVTLELLDELTHEFLQILEKTP 1g3nC 220 :VVPQLASILGCDVSVLQAAVEQILTSVSDFD Number of specific fragments extracted= 7 number of extra gaps= 0 total=285 Number of alignments=39 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1aisB/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1aisB expands to /projects/compbio/data/pdb/1ais.pdb.gz 1aisB:# T0338 read from 1aisB/merged-good-all-a2m # 1aisB read from 1aisB/merged-good-all-a2m # adding 1aisB to template set # found chain 1aisB in template set T0338 31 :RQQAANLIQEMGQRLNVSQLTINTAIVYMHRFYMHHSFTKFNKNIISSTALFLAAKVE 1aisB 1109 :LAFALSELDRITAQLKLPRHVEEEAARLYREAVRKGLIRGRSIESVMAACVYAACRLL T0338 103 :ACLHPLEPLLDT 1aisB 1167 :KVPRTLDEIADI T0338 117 :DAY 1aisB 1179 :ARV T0338 122 :QTRELVILETIMLQTLGFE 1aisB 1182 :DKKEIGRSYRFIARNLNLT T0338 144 :EHPHTDVVKCTQLVRASKDLAQTSYFMATNSLH 1aisB 1206 :VKPTDYVNKFADELGLSEKVRRRAIEILDEAYK T0338 178 :TTFCLQYKPTVIACVCIHLACKWSNWEIPV 1aisB 1239 :RGLTSGKSPAGLVAAALYIASLLEGEKRTQ T0338 209 :TDGKHWWE 1aisB 1269 :REVAEVAR T0338 222 :VTLELLDELTHEFLQILE 1aisB 1277 :VTEVTVRNRYKELVEKLK Number of specific fragments extracted= 8 number of extra gaps= 0 total=293 Number of alignments=40 # 1aisB read from 1aisB/merged-good-all-a2m # found chain 1aisB in template set T0338 32 :QQAANLIQEMGQRLNVSQLTINTAIVYMHRFYMHHSFTKFNKNIISSTALFLAAKVEEQARKLEHVIKVAHAC 1aisB 1110 :AFALSELDRITAQLKLPRHVEEEAARLYREAVRKGLIRGRSIESVMAACVYAACRLLKVPRTLDEIADIARVD T0338 123 :TRELVILETIMLQTLGFE 1aisB 1183 :KKEIGRSYRFIARNLNLT T0338 144 :EHPHTDVVKCTQLVRASKDLAQTSYFMATNSLH 1aisB 1206 :VKPTDYVNKFADELGLSEKVRRRAIEILDEAYK T0338 178 :TTFCLQYKPTVIACVCIHLACKWSNWEIP 1aisB 1239 :RGLTSGKSPAGLVAAALYIASLLEGEKRT T0338 221 :TVTLELLDELTHEFLQIL 1aisB 1276 :RVTEVTVRNRYKELVEKL Number of specific fragments extracted= 5 number of extra gaps= 0 total=298 Number of alignments=41 # 1aisB read from 1aisB/merged-good-all-a2m # found chain 1aisB in template set T0338 32 :QQAANLIQEMGQRLNVSQLTINTAIVYMHRFYMHHSFTKFNKNIISSTALFLAAKVEEQARKLEHVIKVAH 1aisB 1110 :AFALSELDRITAQLKLPRHVEEEAARLYREAVRKGLIRGRSIESVMAACVYAACRLLKVPRTLDEIADIAR T0338 121 :QQTRELVILETIMLQTLGFE 1aisB 1181 :VDKKEIGRSYRFIARNLNLT T0338 141 :ITI 1aisB 1204 :LFV T0338 145 :HPHTDVVKCTQLVRASKDLAQTSYFMATNSLH 1aisB 1207 :KPTDYVNKFADELGLSEKVRRRAIEILDEAYK T0338 178 :TTFCLQYKPTVIACVCIHLACKWSNWEIPVS 1aisB 1239 :RGLTSGKSPAGLVAAALYIASLLEGEKRTQR T0338 215 :WEYVDPTVTLELLDELTHEFLQIL 1aisB 1270 :EVAEVARVTEVTVRNRYKELVEKL Number of specific fragments extracted= 6 number of extra gaps= 0 total=304 Number of alignments=42 # command:Warning: Couldn't open file /projects/compbio/experiments/protein-predict/casp7/T0338//projects/compbio/experiments/protein-predict/casp7/T0338/align.constraints_v3.costfcn or /projects/compbio/experiments/protein-predict/casp7/T0338//projects/compbio/experiments/protein-predict/casp7/T0338/align.constraints_v3.costfcn.gz for input Trying /projects/compbio/experiments/protein-predict/casp7/T0338/align.constraints_v3.costfcn # reading script from file /projects/compbio/experiments/protein-predict/casp7/T0338/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((T0338)M59.CB, (T0338)I76.CB) [> 3.8217 = 6.3695 < 8.2803] w=1.0000 to align # Constraint # added constraint: constraint((T0338)Y58.CB, (T0338)L137.CB) [> 4.0113 = 6.6854 < 8.6911] w=1.0000 to align # Constraint # added constraint: constraint((T0338)Y58.CB, (T0338)M133.CB) [> 3.9873 = 6.6455 < 8.6391] w=1.0000 to align # Constraint # added constraint: constraint((T0338)Y58.CB, (T0338)A84.CB) [> 3.7737 = 6.2895 < 8.1764] w=1.0000 to align # Constraint # added constraint: constraint((T0338)Y58.CB, (T0338)A80.CB) [> 2.5013 = 4.1688 < 5.4194] w=1.0000 to align # Constraint # added constraint: constraint((T0338)A55.CB, (T0338)A84.CB) [> 2.4244 = 4.0406 < 5.2528] w=1.0000 to align # Constraint # added constraint: constraint((T0338)A55.CB, (T0338)L81.CB) [> 2.7422 = 4.5703 < 5.9414] w=1.0000 to align # Constraint # added constraint: constraint((T0338)A55.CB, (T0338)A80.CB) [> 2.6847 = 4.4746 < 5.8169] w=1.0000 to align # Constraint # added constraint: constraint((T0338)T54.CB, (T0338)A84.CB) [> 2.4189 = 4.0315 < 5.2410] w=1.0000 to align # Constraint # added constraint: constraint((T0338)T51.CB, (T0338)A85.CB) [> 3.2303 = 5.3838 < 6.9989] w=1.0000 to align # Constraint # added constraint: constraint((T0338)T51.CB, (T0338)A84.CB) [> 2.8117 = 4.6862 < 6.0921] w=1.0000 to align # Constraint # added constraint: constraint((T0338)T51.CB, (T0338)L81.CB) [> 4.3511 = 7.2518 < 9.4273] w=1.0000 to align # Constraint # added constraint: constraint((T0338)V47.CB, (T0338)A85.CB) [> 4.1004 = 6.8340 < 8.8842] w=1.0000 to align # Constraint # added constraint: constraint((T0338)G42.CA, (T0338)L81.CB) [> 4.2983 = 7.1638 < 9.3130] w=1.0000 to align # Constraint # added constraint: constraint((T0338)M41.CB, (T0338)L81.CB) [> 3.6761 = 6.1268 < 7.9649] w=1.0000 to align # Constraint # added constraint: constraint((T0338)I38.CB, (T0338)L81.CB) [> 3.6789 = 6.1315 < 7.9710] w=1.0000 to align # Constraint # added constraint: constraint((T0338)I38.CB, (T0338)S77.CB) [> 3.1721 = 5.2869 < 6.8729] w=1.0000 to align # Constraint # added constraint: constraint((T0338)I38.CB, (T0338)I56.CB) [> 4.0138 = 6.6896 < 8.6965] w=1.0000 to align # Constraint # added constraint: constraint((T0338)I38.CB, (T0338)A55.CB) [> 3.4623 = 5.7704 < 7.5016] w=1.0000 to align # Constraint # added constraint: constraint((T0338)L37.CB, (T0338)S77.CB) [> 3.9111 = 6.5185 < 8.4741] w=1.0000 to align # Constraint # added constraint: constraint((T0338)L37.CB, (T0338)N74.CB) [> 4.2054 = 7.0091 < 9.1118] w=1.0000 to align # Constraint # added constraint: constraint((T0338)S174.CB, (T0338)I189.CB) [> 3.6028 = 6.0047 < 7.8060] w=1.0000 to align # Constraint # added constraint: constraint((T0338)M170.CB, (T0338)C193.CB) [> 2.6662 = 4.4436 < 5.7767] w=1.0000 to align # Constraint # added constraint: constraint((T0338)L83.CB, (T0338)L134.CB) [> 4.0681 = 6.7802 < 8.8142] w=1.0000 to align # Constraint # added constraint: constraint((T0338)L83.CB, (T0338)M133.CB) [> 3.7696 = 6.2827 < 8.1675] w=1.0000 to align # Constraint # added constraint: constraint((T0338)F82.CB, (T0338)E130.CB) [> 3.6496 = 6.0826 < 7.9074] w=1.0000 to align # Constraint # added constraint: constraint((T0338)A80.CB, (T0338)M133.CB) [> 3.9072 = 6.5119 < 8.4655] w=1.0000 to align # Constraint # added constraint: constraint((T0338)T79.CB, (T0338)M133.CB) [> 3.1685 = 5.2807 < 6.8650] w=1.0000 to align # Constraint # added constraint: constraint((T0338)T79.CB, (T0338)E130.CB) [> 2.8537 = 4.7562 < 6.1830] w=1.0000 to align # Constraint # added constraint: constraint((T0338)T79.CB, (T0338)L129.CB) [> 2.4902 = 4.1504 < 5.3955] w=1.0000 to align # Constraint # added constraint: constraint((T0338)T79.CB, (T0338)L126.CB) [> 3.2884 = 5.4806 < 7.1248] w=1.0000 to align # Constraint # added constraint: constraint((T0338)I76.CB, (T0338)M133.CB) [> 4.1417 = 6.9029 < 8.9738] w=1.0000 to align # Constraint # added constraint: constraint((T0338)I76.CB, (T0338)L129.CB) [> 3.6452 = 6.0753 < 7.8979] w=1.0000 to align # Constraint # added constraint: constraint((T0338)I75.CB, (T0338)L129.CB) [> 3.1470 = 5.2450 < 6.8185] w=1.0000 to align # Constraint # added constraint: constraint((T0338)I75.CB, (T0338)L126.CB) [> 3.9976 = 6.6627 < 8.6615] w=1.0000 to align # Constraint # added constraint: constraint((T0338)I75.CB, (T0338)E125.CB) [> 3.3510 = 5.5851 < 7.2606] w=1.0000 to align # Constraint # added constraint: constraint((T0338)H65.CB, (T0338)T136.CB) [> 3.5473 = 5.9123 < 7.6859] w=1.0000 to align # Constraint # added constraint: constraint((T0338)F62.CB, (T0338)T136.CB) [> 3.4860 = 5.8099 < 7.5529] w=1.0000 to align # Constraint # added constraint: constraint((T0338)F62.CB, (T0338)M133.CB) [> 3.3103 = 5.5172 < 7.1723] w=1.0000 to align # Constraint # added constraint: constraint((T0338)F62.CB, (T0338)A80.CB) [> 4.1584 = 6.9307 < 9.0099] w=1.0000 to align # Constraint # added constraint: constraint((T0338)F62.CB, (T0338)I76.CB) [> 3.6553 = 6.0922 < 7.9198] w=1.0000 to align # Constraint # added constraint: constraint((T0338)M59.CB, (T0338)A80.CB) [> 2.7543 = 4.5904 < 5.9676] w=1.0000 to align # Constraint # added constraint: constraint((T0338)M59.CB, (T0338)S77.CB) [> 3.4258 = 5.7097 < 7.4226] w=1.0000 to align # Constraint # added constraint: constraint((T0338)M170.CB, (T0338)L196.CB) [> 3.5753 = 5.9588 < 7.7465] w=0.9732 to align # Constraint # added constraint: constraint((T0338)A171.CB, (T0338)I189.CB) [> 3.7703 = 6.2838 < 8.1689] w=0.9732 to align # Constraint # added constraint: constraint((T0338)A171.CB, (T0338)A190.CB) [> 3.8827 = 6.4712 < 8.4126] w=0.9732 to align # Constraint # added constraint: constraint((T0338)A171.CB, (T0338)C193.CB) [> 2.6773 = 4.4621 < 5.8007] w=0.9732 to align # Constraint # added constraint: constraint((T0338)S174.CB, (T0338)C193.CB) [> 4.1466 = 6.9110 < 8.9844] w=0.9732 to align # Constraint # added constraint: constraint((T0338)A34.CB, (T0338)M59.CB) [> 4.1310 = 6.8850 < 8.9505] w=0.9732 to align # Constraint # added constraint: constraint((T0338)A34.CB, (T0338)K73.CB) [> 3.0633 = 5.1055 < 6.6371] w=0.9732 to align # Constraint # added constraint: constraint((T0338)A34.CB, (T0338)S77.CB) [> 2.9638 = 4.9397 < 6.4216] w=0.9732 to align # Constraint # added constraint: constraint((T0338)A35.CB, (T0338)I56.CB) [> 3.4941 = 5.8236 < 7.5706] w=0.9732 to align # Constraint # added constraint: constraint((T0338)A35.CB, (T0338)M59.CB) [> 4.3919 = 7.3198 < 9.5157] w=0.9651 to align # Constraint # added constraint: constraint((T0338)D149.CB, (T0338)T187.CB) [> 3.1286 = 5.2143 < 6.7785] w=0.9630 to align # Constraint # added constraint: constraint((T0338)D149.CB, (T0338)P186.CB) [> 3.6806 = 6.1344 < 7.9747] w=0.9630 to align # Constraint # added constraint: constraint((T0338)P146.CB, (T0338)A190.CB) [> 2.7805 = 4.6342 < 6.0245] w=0.9630 to align # Constraint # added constraint: constraint((T0338)P146.CB, (T0338)I189.CB) [> 2.9170 = 4.8616 < 6.3201] w=0.9630 to align # Constraint # added constraint: constraint((T0338)P146.CB, (T0338)P186.CB) [> 2.8792 = 4.7987 < 6.2383] w=0.9630 to align # Constraint # added constraint: constraint((T0338)L83.CB, (T0338)E130.CB) [> 3.6777 = 6.1295 < 7.9683] w=0.9630 to align # Constraint # added constraint: constraint((T0338)F82.CB, (T0338)L126.CB) [> 3.7545 = 6.2574 < 8.1347] w=0.9630 to align # Constraint # added constraint: constraint((T0338)F62.CB, (T0338)L137.CB) [> 4.0570 = 6.7617 < 8.7903] w=0.9630 to align # Constraint # added constraint: constraint((T0338)R61.CB, (T0338)L137.CB) [> 3.6332 = 6.0553 < 7.8719] w=0.9630 to align # Constraint # added constraint: constraint((T0338)A55.CB, (T0338)L83.CB) [> 4.5530 = 7.5883 < 9.8648] w=0.9630 to align # Constraint # added constraint: constraint((T0338)T54.CB, (T0338)E88.CB) [> 3.5747 = 5.9578 < 7.7451] w=0.9630 to align # Constraint # added constraint: constraint((T0338)T54.CB, (T0338)V87.CB) [> 3.8884 = 6.4807 < 8.4249] w=0.9630 to align # Constraint # added constraint: constraint((T0338)I52.CB, (T0338)A84.CB) [> 4.5375 = 7.5625 < 9.8313] w=0.9630 to align # Constraint # added constraint: constraint((T0338)T51.CB, (T0338)E88.CB) [> 2.9059 = 4.8432 < 6.2962] w=0.9630 to align # Constraint # added constraint: constraint((T0338)L50.CB, (T0338)E88.CB) [> 3.1815 = 5.3026 < 6.8933] w=0.9630 to align # Constraint # added constraint: constraint((T0338)L196.CB, (T0338)T231.CB) [> 3.8100 = 6.3500 < 8.2550] w=0.9630 to align # Constraint # added constraint: constraint((T0338)H195.CB, (T0338)T231.CB) [> 3.5540 = 5.9233 < 7.7003] w=0.9630 to align # Constraint # added constraint: constraint((T0338)V192.CB, (T0338)F234.CB) [> 2.9811 = 4.9685 < 6.4591] w=0.9630 to align # Constraint # added constraint: constraint((T0338)V192.CB, (T0338)T231.CB) [> 2.6217 = 4.3696 < 5.6804] w=0.9630 to align # Constraint # added constraint: constraint((T0338)V192.CB, (T0338)L230.CB) [> 2.6810 = 4.4683 < 5.8088] w=0.9630 to align # Constraint # added constraint: constraint((T0338)I189.CB, (T0338)F234.CB) [> 4.2938 = 7.1563 < 9.3032] w=0.9630 to align # Constraint # added constraint: constraint((T0338)V188.CB, (T0338)L230.CB) [> 3.0111 = 5.0186 < 6.5241] w=0.9630 to align # Constraint # added constraint: constraint((T0338)Y184.CB, (T0338)L230.CB) [> 3.3302 = 5.5504 < 7.2154] w=0.9630 to align # Constraint # added constraint: constraint((T0338)C153.CB, (T0338)I194.CB) [> 3.2622 = 5.4371 < 7.0682] w=0.9630 to align # Constraint # added constraint: constraint((T0338)C153.CB, (T0338)C191.CB) [> 4.0343 = 6.7239 < 8.7410] w=0.9630 to align # Constraint # added constraint: constraint((T0338)C153.CB, (T0338)A190.CB) [> 3.7114 = 6.1857 < 8.0414] w=0.9630 to align # Constraint # added constraint: constraint((T0338)V150.CB, (T0338)I194.CB) [> 3.9817 = 6.6362 < 8.6271] w=0.9630 to align # Constraint # added constraint: constraint((T0338)V150.CB, (T0338)A190.CB) [> 3.0652 = 5.1086 < 6.6412] w=0.9630 to align # Constraint # added constraint: constraint((T0338)V150.CB, (T0338)S167.CB) [> 3.4711 = 5.7852 < 7.5207] w=0.9630 to align # Constraint # added constraint: constraint((T0338)D149.CB, (T0338)A190.CB) [> 2.4275 = 4.0458 < 5.2596] w=0.9630 to align # Constraint # added constraint: constraint((T0338)H145.CB, (T0338)P186.CB) [> 3.6649 = 6.1081 < 7.9405] w=0.9550 to align # Constraint # added constraint: constraint((T0338)P146.CB, (T0338)A171.CB) [> 2.8454 = 4.7423 < 6.1649] w=0.9362 to align # Constraint # added constraint: constraint((T0338)E144.CB, (T0338)P186.CB) [> 3.2163 = 5.3605 < 6.9687] w=0.9281 to align # Constraint # added constraint: constraint((T0338)I56.CB, (T0338)A80.CB) [> 4.5969 = 7.6615 < 9.9600] w=0.9220 to align # Constraint # added constraint: constraint((T0338)I38.CB, (T0338)I52.CB) [> 3.8370 = 6.3951 < 8.3136] w=0.9194 to align # Constraint # added constraint: constraint((T0338)Q39.CB, (T0338)I52.CB) [> 3.7020 = 6.1699 < 8.0209] w=0.9194 to align # Constraint # added constraint: constraint((T0338)M170.CB, (T0338)A197.CB) [> 3.6328 = 6.0547 < 7.8711] w=0.9194 to align # Constraint # added constraint: constraint((T0338)S167.CB, (T0338)A197.CB) [> 2.5030 = 4.1717 < 5.4232] w=0.9194 to align # Constraint # added constraint: constraint((T0338)S167.CB, (T0338)I194.CB) [> 2.9583 = 4.9305 < 6.4096] w=0.9194 to align # Constraint # added constraint: constraint((T0338)S167.CB, (T0338)C193.CB) [> 2.7486 = 4.5810 < 5.9553] w=0.9194 to align # Constraint # added constraint: constraint((T0338)T166.CB, (T0338)A197.CB) [> 2.5124 = 4.1874 < 5.4436] w=0.9194 to align # Constraint # added constraint: constraint((T0338)L163.CB, (T0338)A197.CB) [> 3.2894 = 5.4824 < 7.1271] w=0.9194 to align # Constraint # added constraint: constraint((T0338)L163.CB, (T0338)I194.CB) [> 4.4669 = 7.4448 < 9.6783] w=0.9194 to align # Constraint # added constraint: constraint((T0338)L83.CB, (T0338)I141.CB) [> 3.9237 = 6.5396 < 8.5014] w=0.9013 to align # Constraint # added constraint: constraint((T0338)V87.CB, (T0338)I141.CB) [> 3.3747 = 5.6246 < 7.3119] w=0.9013 to align # Constraint # added constraint: constraint((T0338)A34.CB, (T0338)N74.CB) [> 4.0608 = 6.7680 < 8.7985] w=0.8845 to align # Constraint # added constraint: constraint((T0338)T154.CB, (T0338)I194.CB) [> 4.2262 = 7.0437 < 9.1568] w=0.8825 to align # Constraint # added constraint: constraint((T0338)C191.CB, (T0338)L227.CB) [> 3.4578 = 5.7630 < 7.4919] w=0.8825 to align # Constraint # added constraint: constraint((T0338)V188.CB, (T0338)L227.CB) [> 4.0637 = 6.7728 < 8.8047] w=0.8825 to align # Constraint # added constraint: constraint((T0338)P146.CB, (T0338)C193.CB) [> 4.2020 = 7.0033 < 9.1042] w=0.8744 to align # Constraint # added constraint: constraint((T0338)V150.CB, (T0338)A171.CB) [> 4.0571 = 6.7619 < 8.7905] w=0.8556 to align # Constraint # added constraint: constraint((T0338)I38.CB, (T0338)A80.CB) [> 4.4479 = 7.4132 < 9.6372] w=0.8389 to align # Constraint # added constraint: constraint((T0338)A55.CB, (T0338)S77.CB) [> 4.2996 = 7.1659 < 9.3157] w=0.8389 to align # Constraint # added constraint: constraint((T0338)V150.CB, (T0338)C193.CB) [> 4.1554 = 6.9257 < 9.0035] w=0.8096 to align # Constraint # added constraint: constraint((T0338)V188.CB, (T0338)V222.CB) [> 3.8888 = 6.4813 < 8.4256] w=0.8029 to align # Constraint # added constraint: constraint((T0338)I189.CB, (T0338)L230.CB) [> 3.5942 = 5.9903 < 7.7875] w=0.8019 to align # Constraint # added constraint: constraint((T0338)T154.CB, (T0338)A164.CB) [> 3.3063 = 5.5105 < 7.1636] w=0.8019 to align # Constraint # added constraint: constraint((T0338)S48.CB, (T0338)E88.CB) [> 3.8055 = 6.3425 < 8.2452] w=0.8006 to align # Constraint # added constraint: constraint((T0338)H147.CB, (T0338)A190.CB) [> 4.5847 = 7.6412 < 9.9335] w=0.7964 to align # Constraint # added constraint: constraint((T0338)S174.CB, (T0338)I237.CB) [> 3.7390 = 6.2316 < 8.1011] w=0.7843 to align # Constraint # added constraint: constraint((T0338)M170.CB, (T0338)L238.CB) [> 3.7900 = 6.3166 < 8.2116] w=0.7763 to align # Constraint # added constraint: constraint((T0338)P146.CB, (T0338)L175.CB) [> 4.4037 = 7.3396 < 9.5414] w=0.7751 to align # Constraint # added constraint: constraint((T0338)H147.CB, (T0338)A171.CB) [> 3.7674 = 6.2791 < 8.1628] w=0.7751 to align # Constraint # added constraint: constraint((T0338)M170.CB, (T0338)F234.CB) [> 3.9444 = 6.5741 < 8.5463] w=0.7751 to align # Constraint # added constraint: constraint((T0338)T166.CB, (T0338)S201.CB) [> 3.8095 = 6.3492 < 8.2539] w=0.7598 to align # Constraint # added constraint: constraint((T0338)T166.CB, (T0338)W200.CB) [> 3.9184 = 6.5307 < 8.4899] w=0.7598 to align # Constraint # added constraint: constraint((T0338)Y168.CB, (T0338)C193.CB) [> 4.5476 = 7.5794 < 9.8532] w=0.7593 to align # Constraint # added constraint: constraint((T0338)S167.CB, (T0338)L196.CB) [> 4.5078 = 7.5131 < 9.7670] w=0.7593 to align # Constraint # added constraint: constraint((T0338)Y63.CB, (T0338)I76.CB) [> 4.4105 = 7.3508 < 9.5561] w=0.7584 to align # Constraint # added constraint: constraint((T0338)G42.CA, (T0338)T51.CB) [> 4.2424 = 7.0707 < 9.1918] w=0.7584 to align # Constraint # added constraint: constraint((T0338)S167.CB, (T0338)A190.CB) [> 4.5359 = 7.5599 < 9.8279] w=0.7584 to align # Constraint # added constraint: constraint((T0338)T79.CB, (T0338)I132.CB) [> 4.6116 = 7.6860 < 9.9918] w=0.7584 to align # Constraint # added constraint: constraint((T0338)L196.CB, (T0338)L235.CB) [> 3.6917 = 6.1528 < 7.9987] w=0.7306 to align # Constraint # added constraint: constraint((T0338)N173.CB, (T0338)L238.CB) [> 3.4112 = 5.6854 < 7.3910] w=0.7226 to align # Constraint # added constraint: constraint((T0338)L50.CB, (T0338)H145.CB) [> 3.5997 = 5.9995 < 7.7993] w=0.7226 to align # Constraint # added constraint: constraint((T0338)N53.CB, (T0338)H145.CB) [> 2.4164 = 4.0273 < 5.2355] w=0.7226 to align # Constraint # added constraint: constraint((T0338)N53.CB, (T0338)P146.CB) [> 3.7588 = 6.2646 < 8.1440] w=0.7226 to align # Constraint # added constraint: constraint((T0338)T54.CB, (T0338)I143.CB) [> 3.4939 = 5.8232 < 7.5702] w=0.7226 to align # Constraint # added constraint: constraint((T0338)T54.CB, (T0338)H145.CB) [> 3.7875 = 6.3125 < 8.2062] w=0.7226 to align # Constraint # added constraint: constraint((T0338)V57.CB, (T0338)I143.CB) [> 2.7511 = 4.5851 < 5.9607] w=0.7226 to align # Constraint # added constraint: constraint((T0338)H60.CB, (T0338)L182.CB) [> 3.8667 = 6.4445 < 8.3779] w=0.7226 to align # Constraint # added constraint: constraint((T0338)T154.CB, (T0338)S167.CB) [> 4.3869 = 7.3115 < 9.5049] w=0.7223 to align # Constraint # added constraint: constraint((T0338)V192.CB, (T0338)L227.CB) [> 3.4891 = 5.8152 < 7.5598] w=0.7214 to align # Constraint # added constraint: constraint((T0338)H147.CB, (T0338)Y168.CB) [> 3.6075 = 6.0124 < 7.8162] w=0.7214 to align # Constraint # added constraint: constraint((T0338)A35.CB, (T0338)S77.CB) [> 4.5691 = 7.6151 < 9.8997] w=0.7159 to align # Constraint # added constraint: constraint((T0338)C30.CB, (T0338)K73.CB) [> 3.6542 = 6.0902 < 7.9173] w=0.7038 to align # Constraint # added constraint: constraint((T0338)I56.CB, (T0338)L175.CB) [> 3.1635 = 5.2725 < 6.8542] w=0.6957 to align # Constraint # added constraint: constraint((T0338)N53.CB, (T0338)L175.CB) [> 4.0018 = 6.6696 < 8.6705] w=0.6957 to align # Constraint # added constraint: constraint((T0338)Q39.CB, (T0338)T172.CB) [> 4.2225 = 7.0376 < 9.1488] w=0.6957 to align # Constraint # added constraint: constraint((T0338)L163.CB, (T0338)S201.CB) [> 3.2400 = 5.4000 < 7.0199] w=0.6802 to align # Constraint # added constraint: constraint((T0338)I38.CB, (T0338)M59.CB) [> 4.1768 = 6.9613 < 9.0498] w=0.6778 to align # Constraint # added constraint: constraint((T0338)N36.CB, (T0338)H176.CB) [> 3.7153 = 6.1922 < 8.0498] w=0.6689 to align # Constraint # added constraint: constraint((T0338)N173.CB, (T0338)T241.CB) [> 3.5345 = 5.8908 < 7.6580] w=0.6689 to align # Constraint # added constraint: constraint((T0338)R31.CB, (T0338)Y63.CB) [> 4.2650 = 7.1083 < 9.2408] w=0.6501 to align # Constraint # added constraint: constraint((T0338)C191.CB, (T0338)V222.CB) [> 3.2080 = 5.3467 < 6.9508] w=0.6432 to align # Constraint # added constraint: constraint((T0338)Y58.CB, (T0338)I143.CB) [> 4.5374 = 7.5623 < 9.8310] w=0.6420 to align # Constraint # added constraint: constraint((T0338)V87.CB, (T0338)T142.CB) [> 4.0801 = 6.8001 < 8.8402] w=0.6420 to align # Constraint # added constraint: constraint((T0338)D149.CB, (T0338)C191.CB) [> 4.4741 = 7.4568 < 9.6939] w=0.6420 to align # Constraint # added constraint: constraint((T0338)L50.CB, (T0338)T148.CB) [> 4.4031 = 7.3385 < 9.5400] w=0.6420 to align # Constraint # added constraint: constraint((T0338)H195.CB, (T0338)L227.CB) [> 3.7543 = 6.2572 < 8.1344] w=0.6418 to align # Constraint # added constraint: constraint((T0338)F180.CB, (T0338)E233.CB) [> 3.5811 = 5.9685 < 7.7591] w=0.6408 to align # Constraint # added constraint: constraint((T0338)V150.CB, (T0338)Y168.CB) [> 3.4302 = 5.7170 < 7.4321] w=0.6408 to align # Constraint # added constraint: constraint((T0338)V188.CB, (T0338)L226.CB) [> 3.8780 = 6.4633 < 8.4023] w=0.6408 to align # Constraint # added constraint: constraint((T0338)V47.CB, (T0338)E89.CB) [> 3.8786 = 6.4642 < 8.4035] w=0.5984 to align # Constraint # added constraint: constraint((T0338)S48.CB, (T0338)E89.CB) [> 3.7155 = 6.1925 < 8.0503] w=0.5984 to align # Constraint # added constraint: constraint((T0338)V157.CB, (T0338)C198.CB) [> 4.5346 = 7.5576 < 9.8249] w=0.5890 to align # Constraint # added constraint: constraint((T0338)T178.CB, (T0338)I237.CB) [> 2.9645 = 4.9409 < 6.4231] w=0.5695 to align # Constraint # added constraint: constraint((T0338)Y58.CB, (T0338)I141.CB) [> 4.2100 = 7.0167 < 9.1217] w=0.5615 to align # Constraint # added constraint: constraint((T0338)I98.CB, (T0338)L126.CB) [> 3.9788 = 6.6314 < 8.6208] w=0.5473 to align # Constraint # added constraint: constraint((T0338)A35.CB, (T0338)L175.CB) [> 3.6462 = 6.0770 < 7.9001] w=0.5346 to align # Constraint # added constraint: constraint((T0338)S78.CB, (T0338)Y119.CB) [> 3.8340 = 6.3900 < 8.3070] w=0.5297 to align # Constraint # added constraint: constraint((T0338)N74.CB, (T0338)Y119.CB) [> 4.2528 = 7.0881 < 9.2145] w=0.5297 to align # Constraint # added constraint: constraint((T0338)R61.CB, (T0338)T136.CB) [> 4.5096 = 7.5159 < 9.7707] w=0.5203 to align # Constraint # added constraint: constraint((T0338)N72.CB, (T0338)L129.CB) [> 4.3839 = 7.3064 < 9.4984] w=0.5192 to align # Constraint # added constraint: constraint((T0338)A164.CB, (T0338)A197.CB) [> 4.5928 = 7.6546 < 9.9510] w=0.5191 to align # Constraint # added constraint: constraint((T0338)M41.CB, (T0338)S77.CB) [> 4.4307 = 7.3845 < 9.5998] w=0.5181 to align # Constraint # added constraint: constraint((T0338)V157.CB, (T0338)I205.CB) [> 3.7862 = 6.3103 < 8.2034] w=0.5053 to align # Constraint # added constraint: constraint((T0338)P146.CB, (T0338)S174.CB) [> 4.3096 = 7.1827 < 9.3376] w=0.5034 to align # Constraint # added constraint: constraint((T0338)F180.CB, (T0338)I237.CB) [> 3.4987 = 5.8312 < 7.5806] w=0.4890 to align # Constraint # added constraint: constraint((T0338)V47.CB, (T0338)L81.CB) [> 4.5829 = 7.6382 < 9.9296] w=0.4837 to align # Constraint # added constraint: constraint((T0338)I52.CB, (T0338)L81.CB) [> 4.6063 = 7.6772 < 9.9803] w=0.4837 to align # Constraint # added constraint: constraint((T0338)E95.CB, (T0338)T123.CB) [> 3.7670 = 6.2783 < 8.1618] w=0.4812 to align # Constraint # added constraint: constraint((T0338)I52.CB, (T0338)T172.CB) [> 3.8646 = 6.4410 < 8.3733] w=0.4809 to align # Constraint # added constraint: constraint((T0338)I52.CB, (T0338)L175.CB) [> 4.4097 = 7.3496 < 9.5544] w=0.4809 to align # Constraint # added constraint: constraint((T0338)N53.CB, (T0338)A171.CB) [> 4.4007 = 7.3345 < 9.5349] w=0.4809 to align # Constraint # added constraint: constraint((T0338)T54.CB, (T0338)I141.CB) [> 4.6307 = 7.7178 < 10.0331] w=0.4809 to align # Constraint # added constraint: constraint((T0338)L196.CB, (T0338)L238.CB) [> 3.8445 = 6.4076 < 8.3298] w=0.4809 to align # Constraint # added constraint: constraint((T0338)V151.CB, (T0338)A164.CB) [> 3.8622 = 6.4370 < 8.3682] w=0.4797 to align # Constraint # added constraint: constraint((T0338)F169.CB, (T0338)A197.CB) [> 4.6454 = 7.7423 < 10.0650] w=0.4478 to align # Constraint # added constraint: constraint((T0338)I98.CB, (T0338)T123.CB) [> 3.1268 = 5.2113 < 6.7748] w=0.4402 to align # Constraint # added constraint: constraint((T0338)F82.CB, (T0338)L94.CB) [> 3.9072 = 6.5121 < 8.4657] w=0.4380 to align # Constraint # added constraint: constraint((T0338)L45.CB, (T0338)H106.CB) [> 3.5033 = 5.8388 < 7.5905] w=0.4281 to align # Constraint # added constraint: constraint((T0338)F82.CB, (T0338)L108.CB) [> 3.9483 = 6.5805 < 8.5546] w=0.4281 to align # Constraint # added constraint: constraint((T0338)F82.CB, (T0338)L111.CB) [> 3.1750 = 5.2917 < 6.8791] w=0.4281 to align # Constraint # added constraint: constraint((T0338)A85.CB, (T0338)L105.CB) [> 2.6996 = 4.4994 < 5.8492] w=0.4281 to align # Constraint # added constraint: constraint((T0338)A85.CB, (T0338)H106.CB) [> 3.0905 = 5.1509 < 6.6962] w=0.4281 to align # Constraint # added constraint: constraint((T0338)L108.CB, (T0338)T123.CB) [> 3.1251 = 5.2085 < 6.7711] w=0.4281 to align # Constraint # added constraint: constraint((T0338)L108.CB, (T0338)L126.CB) [> 3.4782 = 5.7970 < 7.5362] w=0.4281 to align # Constraint # added constraint: constraint((T0338)L108.CB, (T0338)V127.CB) [> 3.8779 = 6.4632 < 8.4021] w=0.4281 to align # Constraint # added constraint: constraint((T0338)L112.CB, (T0338)T123.CB) [> 3.0389 = 5.0649 < 6.5844] w=0.4281 to align # Constraint # added constraint: constraint((T0338)L112.CB, (T0338)L126.CB) [> 3.6786 = 6.1310 < 7.9703] w=0.4281 to align # Constraint # added constraint: constraint((T0338)H195.CB, (T0338)I205.CB) [> 4.0074 = 6.6790 < 8.6827] w=0.4249 to align # Constraint # added constraint: constraint((T0338)F82.CB, (T0338)V97.CB) [> 3.2796 = 5.4660 < 7.1057] w=0.4134 to align # Constraint # added constraint: constraint((T0338)A34.CB, (T0338)I76.CB) [> 4.5796 = 7.6327 < 9.9225] w=0.4107 to align # Constraint # added constraint: constraint((T0338)R19.CB, (T0338)M64.CB) [> 3.2033 = 5.3389 < 6.9405] w=0.4021 to align # Constraint # added constraint: constraint((T0338)F180.CB, (T0338)F234.CB) [> 3.2908 = 5.4847 < 7.1302] w=0.4016 to align # Constraint # added constraint: constraint((T0338)F71.CB, (T0338)L129.CB) [> 3.6884 = 6.1473 < 7.9915] w=0.4016 to align # Constraint # added constraint: constraint((T0338)E109.CB, (T0338)T123.CB) [> 3.6393 = 6.0654 < 7.8851] w=0.4012 to align # Constraint # added constraint: constraint((T0338)L94.CB, (T0338)T123.CB) [> 3.1653 = 5.2754 < 6.8580] w=0.4010 to align # Constraint # added constraint: constraint((T0338)L28.CB, (T0338)T179.CB) [> 3.1875 = 5.3126 < 6.9063] w=0.4007 to align # Constraint # added constraint: constraint((T0338)A84.CB, (T0338)I141.CB) [> 4.6933 = 7.8222 < 10.1689] w=0.4004 to align # Constraint # added constraint: constraint((T0338)N53.CB, (T0338)T172.CB) [> 4.1671 = 6.9451 < 9.0286] w=0.4004 to align # Constraint # added constraint: constraint((T0338)Q49.CB, (T0338)T172.CB) [> 3.9330 = 6.5551 < 8.5216] w=0.4004 to align # Constraint # added constraint: constraint((T0338)K86.CB, (T0338)L105.CB) [> 3.0669 = 5.1115 < 6.6450] w=0.3986 to align # Constraint # added constraint: constraint((T0338)S78.CB, (T0338)I98.CB) [> 4.1488 = 6.9147 < 8.9891] w=0.3862 to align # Constraint # added constraint: constraint((T0338)C191.CB, (T0338)E216.CB) [> 3.6676 = 6.1126 < 7.9464] w=0.3750 to align # Constraint # added constraint: constraint((T0338)M41.CB, (T0338)T114.CB) [> 3.3107 = 5.5178 < 7.1731] w=0.3750 to align # Constraint # added constraint: constraint((T0338)L45.CB, (T0338)P110.CB) [> 4.2049 = 7.0082 < 9.1107] w=0.3750 to align # Constraint # added constraint: constraint((T0338)C20.CB, (T0338)Y63.CB) [> 4.2276 = 7.0460 < 9.1599] w=0.3748 to align # Constraint # added constraint: constraint((T0338)L112.CB, (T0338)Q122.CB) [> 3.8083 = 6.3472 < 8.2514] w=0.3747 to align # Constraint # added constraint: constraint((T0338)N74.CB, (T0338)A118.CB) [> 3.8564 = 6.4274 < 8.3556] w=0.3744 to align # Constraint # added constraint: constraint((T0338)L45.CB, (T0338)A85.CB) [> 4.5981 = 7.6634 < 9.9625] w=0.3592 to align # Constraint # added constraint: constraint((T0338)T51.CB, (T0338)Q90.CB) [> 3.6936 = 6.1559 < 8.0027] w=0.3584 to align # Constraint # added constraint: constraint((T0338)C20.CB, (T0338)R31.CB) [> 4.0906 = 6.8177 < 8.8630] w=0.3484 to align # Constraint # added constraint: constraint((T0338)R19.CB, (T0338)L182.CB) [> 4.3306 = 7.2176 < 9.3829] w=0.3484 to align # Constraint # added constraint: constraint((T0338)R44.CB, (T0338)T114.CB) [> 3.8735 = 6.4559 < 8.3926] w=0.3480 to align # Constraint # added constraint: constraint((T0338)S78.CB, (T0338)K115.CB) [> 3.5608 = 5.9346 < 7.7150] w=0.3479 to align # Constraint # added constraint: constraint((T0338)F7.CB, (T0338)T187.CB) [> 4.0173 = 6.6955 < 8.7041] w=0.3478 to align # Constraint # added constraint: constraint((T0338)L175.CB, (T0338)I189.CB) [> 4.0959 = 6.8265 < 8.8744] w=0.3475 to align # Constraint # added constraint: constraint((T0338)K26.CB, (T0338)F68.CB) [> 3.5804 = 5.9674 < 7.7576] w=0.3475 to align # Constraint # added constraint: constraint((T0338)S78.CB, (T0338)A101.CB) [> 3.3735 = 5.6225 < 7.3092] w=0.3459 to align # Constraint # added constraint: constraint((T0338)T166.CB, (T0338)L196.CB) [> 4.7211 = 7.8685 < 10.2290] w=0.3303 to align # Constraint # added constraint: constraint((T0338)A85.CB, (T0338)V97.CB) [> 4.1854 = 6.9757 < 9.0684] w=0.3284 to align # Constraint # added constraint: constraint((T0338)F71.CB, (T0338)I132.CB) [> 4.3581 = 7.2635 < 9.4425] w=0.3235 to align # Constraint # added constraint: constraint((T0338)S174.CB, (T0338)Y184.CB) [> 4.6028 = 7.6714 < 9.9728] w=0.3222 to align # Constraint # added constraint: constraint((T0338)V207.CB, (T0338)L224.CB) [> 3.1133 = 5.1888 < 6.7455] w=0.3214 to align # Constraint # added constraint: constraint((T0338)H65.CB, (T0338)L137.CB) [> 4.1993 = 6.9988 < 9.0985] w=0.3210 to align # Constraint # added constraint: constraint((T0338)T178.CB, (T0338)T241.CB) [> 3.8163 = 6.3605 < 8.2686] w=0.3208 to align # Constraint # added constraint: constraint((T0338)R61.CB, (T0338)I143.CB) [> 4.7024 = 7.8374 < 10.1886] w=0.3208 to align # Constraint # added constraint: constraint((T0338)F82.CB, (T0338)L105.CB) [> 4.5963 = 7.6605 < 9.9586] w=0.3189 to align # Constraint # added constraint: constraint((T0338)C181.CB, (T0338)F234.CB) [> 3.7426 = 6.2377 < 8.1090] w=0.3173 to align # Constraint # added constraint: constraint((T0338)T51.CB, (T0338)V87.CB) [> 4.5842 = 7.6404 < 9.9326] w=0.3155 to align # Constraint # added constraint: constraint((T0338)Q33.CB, (T0338)K73.CB) [> 4.1627 = 6.9378 < 9.0191] w=0.3117 to align # Constraint # added constraint: constraint((T0338)L45.CB, (T0338)V97.CB) [> 4.2816 = 7.1360 < 9.2768] w=0.3086 to align # Constraint # added constraint: constraint((T0338)M41.CB, (T0338)V100.CB) [> 3.3662 = 5.6104 < 7.2935] w=0.3060 to align # Constraint # added constraint: constraint((T0338)L45.CB, (T0338)V100.CB) [> 3.5474 = 5.9123 < 7.6860] w=0.3037 to align # Constraint # added constraint: constraint((T0338)L28.CB, (T0338)T178.CB) [> 3.2576 = 5.4293 < 7.0580] w=0.2953 to align # Constraint # added constraint: constraint((T0338)N74.CB, (T0338)K115.CB) [> 3.6441 = 6.0735 < 7.8956] w=0.2949 to align # Constraint # added constraint: constraint((T0338)K212.CB, (T0338)V222.CB) [> 3.7076 = 6.1793 < 8.0330] w=0.2945 to align # Constraint # added constraint: constraint((T0338)K26.CB, (T0338)Y63.CB) [> 4.5142 = 7.5236 < 9.7807] w=0.2938 to align # Constraint # added constraint: constraint((T0338)R31.CB, (T0338)T179.CB) [> 3.3733 = 5.6221 < 7.3088] w=0.2930 to align # Constraint # added constraint: constraint((T0338)R31.CB, (T0338)H60.CB) [> 4.6240 = 7.7066 < 10.0186] w=0.2756 to align # Constraint # added constraint: constraint((T0338)F68.CB, (T0338)I132.CB) [> 3.7087 = 6.1812 < 8.0355] w=0.2694 to align # Constraint # added constraint: constraint((T0338)S78.CB, (T0338)T114.CB) [> 4.3866 = 7.3111 < 9.5044] w=0.2685 to align # Constraint # added constraint: constraint((T0338)S29.CB, (T0338)L245.CB) [> 4.2309 = 7.0515 < 9.1669] w=0.2685 to align # Constraint # added constraint: constraint((T0338)Q33.CB, (T0338)L245.CB) [> 3.9351 = 6.5586 < 8.5261] w=0.2679 to align # Constraint # added constraint: constraint((T0338)H195.CB, (T0338)S208.CB) [> 3.6381 = 6.0636 < 7.8826] w=0.2677 to align # Constraint # added constraint: constraint((T0338)M41.CB, (T0338)A101.CB) [> 3.5230 = 5.8717 < 7.6333] w=0.2663 to align # Constraint # added constraint: constraint((T0338)L163.CB, (T0338)W203.CB) [> 3.4228 = 5.7046 < 7.4160] w=0.2651 to align # Constraint # added constraint: constraint((T0338)K86.CB, (T0338)I141.CB) [> 3.3196 = 5.5327 < 7.1926] w=0.2593 to align # Constraint # added constraint: constraint((T0338)V47.CB, (T0338)Q90.CB) [> 4.2011 = 7.0018 < 9.1024] w=0.2571 to align # Constraint # added constraint: constraint((T0338)M41.CB, (T0338)V97.CB) [> 4.4434 = 7.4057 < 9.6275] w=0.2523 to align # Constraint # added constraint: constraint((T0338)S78.CB, (T0338)V97.CB) [> 3.3289 = 5.5482 < 7.2127] w=0.2523 to align # Constraint # added constraint: constraint((T0338)F180.CB, (T0338)L238.CB) [> 4.4926 = 7.4876 < 9.7339] w=0.2416 to align # Constraint # added constraint: constraint((T0338)T178.CB, (T0338)L238.CB) [> 3.5815 = 5.9692 < 7.7599] w=0.2416 to align # Constraint # added constraint: constraint((T0338)V22.CB, (T0338)F68.CB) [> 3.8347 = 6.3912 < 8.3085] w=0.2416 to align # Constraint # added constraint: constraint((T0338)Q32.CB, (T0338)L177.CB) [> 3.9282 = 6.5470 < 8.5111] w=0.2416 to align # Constraint # added constraint: constraint((T0338)L177.CB, (T0338)I237.CB) [> 3.9594 = 6.5990 < 8.5787] w=0.2416 to align # Constraint # added constraint: constraint((T0338)H195.CB, (T0338)L224.CB) [> 4.0831 = 6.8052 < 8.8467] w=0.2416 to align # Constraint # added constraint: constraint((T0338)I75.CB, (T0338)A118.CB) [> 4.6409 = 7.7348 < 10.0553] w=0.2412 to align # Constraint # added constraint: constraint((T0338)F6.CB, (T0338)E144.CB) [> 3.0935 = 5.1558 < 6.7025] w=0.2409 to align # Constraint # added constraint: constraint((T0338)R9.CB, (T0338)E144.CB) [> 3.2184 = 5.3640 < 6.9732] w=0.2409 to align # Constraint # added constraint: constraint((T0338)E13.CB, (T0338)I143.CB) [> 2.9509 = 4.9181 < 6.3935] w=0.2409 to align # Constraint # added constraint: constraint((T0338)C153.CB, (T0338)E216.CB) [> 4.1409 = 6.9015 < 8.9719] w=0.2408 to align # Constraint # added constraint: constraint((T0338)C153.CB, (T0338)T187.CB) [> 4.6717 = 7.7861 < 10.1220] w=0.2407 to align # Constraint # added constraint: constraint((T0338)C30.CB, (T0338)F68.CB) [> 3.7161 = 6.1935 < 8.0516] w=0.2407 to align # Constraint # added constraint: constraint((T0338)N53.CB, (T0338)I143.CB) [> 4.4500 = 7.4167 < 9.6417] w=0.2407 to align # Constraint # added constraint: constraint((T0338)V192.CB, (T0338)L235.CB) [> 3.9994 = 6.6657 < 8.6654] w=0.2407 to align # Constraint # added constraint: constraint((T0338)L83.CB, (T0338)F139.CB) [> 4.2534 = 7.0890 < 9.2156] w=0.2405 to align # Constraint # added constraint: constraint((T0338)C191.CB, (T0338)Y217.CB) [> 3.7134 = 6.1890 < 8.0457] w=0.2405 to align # Constraint # added constraint: constraint((T0338)L156.CB, (T0338)W214.CB) [> 3.2560 = 5.4267 < 7.0547] w=0.2405 to align # Constraint # added constraint: constraint((T0338)C153.CB, (T0338)G211.CA) [> 4.3251 = 7.2085 < 9.3711] w=0.2405 to align # Constraint # added constraint: constraint((T0338)V57.CB, (T0338)L182.CB) [> 4.5530 = 7.5883 < 9.8648] w=0.2402 to align # Constraint # added constraint: constraint((T0338)L94.CB, (T0338)V127.CB) [> 3.9166 = 6.5277 < 8.4860] w=0.2399 to align # Constraint # added constraint: constraint((T0338)I56.CB, (T0338)L182.CB) [> 4.3946 = 7.3244 < 9.5217] w=0.2393 to align # Constraint # added constraint: constraint((T0338)Q39.CB, (T0338)H176.CB) [> 3.6584 = 6.0973 < 7.9265] w=0.2393 to align # Constraint # added constraint: constraint((T0338)A159.CB, (T0338)W203.CB) [> 3.6713 = 6.1187 < 7.9544] w=0.2379 to align # Constraint # added constraint: constraint((T0338)S78.CB, (T0338)E125.CB) [> 4.4755 = 7.4592 < 9.6969] w=0.2349 to align # Constraint # added constraint: constraint((T0338)R44.CB, (T0338)V100.CB) [> 2.8922 = 4.8203 < 6.2664] w=0.2264 to align # Constraint # added constraint: constraint((T0338)C191.CB, (T0338)W215.CB) [> 3.0577 = 5.0962 < 6.6251] w=0.2259 to align # Constraint # added constraint: constraint((T0338)I98.CB, (T0338)Y119.CB) [> 2.9167 = 4.8612 < 6.3196] w=0.2258 to align # Constraint # added constraint: constraint((T0338)N74.CB, (T0338)H102.CB) [> 3.8909 = 6.4848 < 8.4302] w=0.2171 to align # Constraint # added constraint: constraint((T0338)G21.CA, (T0338)T69.CB) [> 3.8278 = 6.3797 < 8.2936] w=0.2148 to align # Constraint # added constraint: constraint((T0338)L28.CB, (T0338)L177.CB) [> 4.4317 = 7.3861 < 9.6019] w=0.2148 to align # Constraint # added constraint: constraint((T0338)F6.CB, (T0338)D149.CB) [> 4.1234 = 6.8724 < 8.9341] w=0.2140 to align # Constraint # added constraint: constraint((T0338)F6.CB, (T0338)T187.CB) [> 4.3394 = 7.2323 < 9.4020] w=0.2140 to align # Constraint # added constraint: constraint((T0338)L156.CB, (T0338)G211.CA) [> 3.6455 = 6.0759 < 7.8986] w=0.2140 to align # Constraint # added constraint: constraint((T0338)S78.CB, (T0338)L112.CB) [> 4.5745 = 7.6242 < 9.9115] w=0.2139 to align # Constraint # added constraint: constraint((T0338)K212.CB, (T0338)T223.CB) [> 3.5418 = 5.9029 < 7.6738] w=0.2139 to align # Constraint # added constraint: constraint((T0338)T187.CB, (T0338)W215.CB) [> 3.4041 = 5.6736 < 7.3756] w=0.2136 to align # Constraint # added constraint: constraint((T0338)A159.CB, (T0338)I205.CB) [> 4.2721 = 7.1202 < 9.2563] w=0.2109 to align # Constraint # added constraint: constraint((T0338)L83.CB, (T0338)L137.CB) [> 4.6428 = 7.7379 < 10.0593] w=0.2061 to align # Constraint # added constraint: constraint((T0338)F71.CB, (T0338)E125.CB) [> 4.3727 = 7.2879 < 9.4743] w=0.1994 to align # Constraint # added constraint: constraint((T0338)K99.CB, (T0338)Y119.CB) [> 3.9471 = 6.5785 < 8.5521] w=0.1991 to align # Constraint # added constraint: constraint((T0338)A35.CB, (T0338)H60.CB) [> 4.5125 = 7.5208 < 9.7770] w=0.1981 to align # Constraint # added constraint: constraint((T0338)A159.CB, (T0338)C198.CB) [> 3.7754 = 6.2924 < 8.1802] w=0.1969 to align # Constraint # added constraint: constraint((T0338)S78.CB, (T0338)H102.CB) [> 3.8768 = 6.4614 < 8.3998] w=0.1899 to align # Constraint # added constraint: constraint((T0338)L108.CB, (T0338)E130.CB) [> 4.6173 = 7.6955 < 10.0042] w=0.1892 to align # Constraint # added constraint: constraint((T0338)V97.CB, (T0338)T123.CB) [> 4.7059 = 7.8431 < 10.1961] w=0.1879 to align # Constraint # added constraint: constraint((T0338)N173.CB, (T0338)R249.CB) [> 3.5135 = 5.8558 < 7.6126] w=0.1879 to align # Constraint # added constraint: constraint((T0338)F169.CB, (T0338)R249.CB) [> 3.9999 = 6.6665 < 8.6664] w=0.1879 to align # Constraint # added constraint: constraint((T0338)R9.CB, (T0338)I143.CB) [> 4.3310 = 7.2183 < 9.3838] w=0.1879 to align # Constraint # added constraint: constraint((T0338)I98.CB, (T0338)L120.CB) [> 4.2388 = 7.0647 < 9.1841] w=0.1875 to align # Constraint # added constraint: constraint((T0338)L156.CB, (T0338)W215.CB) [> 3.8428 = 6.4047 < 8.3261] w=0.1875 to align # Constraint # added constraint: constraint((T0338)F7.CB, (T0338)E144.CB) [> 3.5697 = 5.9496 < 7.7344] w=0.1875 to align # Constraint # added constraint: constraint((T0338)L156.CB, (T0338)D219.CB) [> 3.2106 = 5.3509 < 6.9562] w=0.1871 to align # Constraint # added constraint: constraint((T0338)I143.CB, (T0338)P186.CB) [> 4.4771 = 7.4618 < 9.7003] w=0.1870 to align # Constraint # added constraint: constraint((T0338)V22.CB, (T0338)M64.CB) [> 4.0787 = 6.7978 < 8.8371] w=0.1868 to align # Constraint # added constraint: constraint((T0338)E88.CB, (T0338)L105.CB) [> 4.6648 = 7.7747 < 10.1071] w=0.1851 to align # Constraint # added constraint: constraint((T0338)A103.CB, (T0338)Y119.CB) [> 3.6562 = 6.0937 < 7.9218] w=0.1849 to align # Constraint # added constraint: constraint((T0338)K86.CB, (T0338)T142.CB) [> 4.4164 = 7.3607 < 9.5689] w=0.1814 to align # Constraint # added constraint: constraint((T0338)G42.CA, (T0338)V100.CB) [> 4.1516 = 6.9193 < 8.9951] w=0.1673 to align # Constraint # added constraint: constraint((T0338)V87.CB, (T0338)F139.CB) [> 4.5008 = 7.5013 < 9.7516] w=0.1624 to align # Constraint # added constraint: constraint((T0338)M64.CB, (T0338)L182.CB) [> 4.4755 = 7.4591 < 9.6969] w=0.1611 to align # Constraint # added constraint: constraint((T0338)H60.CB, (T0338)C181.CB) [> 3.8786 = 6.4643 < 8.4036] w=0.1611 to align # Constraint # added constraint: constraint((T0338)V57.CB, (T0338)C181.CB) [> 3.4046 = 5.6743 < 7.3766] w=0.1611 to align # Constraint # added constraint: constraint((T0338)I56.CB, (T0338)C181.CB) [> 4.2053 = 7.0089 < 9.1116] w=0.1611 to align # Constraint # added constraint: constraint((T0338)T166.CB, (T0338)C198.CB) [> 4.6924 = 7.8207 < 10.1669] w=0.1611 to align # Constraint # added constraint: constraint((T0338)F180.CB, (T0338)I189.CB) [> 3.6618 = 6.1031 < 7.9340] w=0.1611 to align # Constraint # added constraint: constraint((T0338)V188.CB, (T0338)T231.CB) [> 4.4753 = 7.4588 < 9.6964] w=0.1611 to align # Constraint # added constraint: constraint((T0338)K152.CB, (T0338)W214.CB) [> 4.2315 = 7.0525 < 9.1683] w=0.1611 to align # Constraint # added constraint: constraint((T0338)D149.CB, (T0338)I189.CB) [> 4.5474 = 7.5791 < 9.8528] w=0.1611 to align # Constraint # added constraint: constraint((T0338)L37.CB, (T0338)I248.CB) [> 4.4569 = 7.4282 < 9.6567] w=0.1611 to align # Constraint # added constraint: constraint((T0338)F169.CB, (T0338)A253.CB) [> 2.5640 = 4.2734 < 5.5554] w=0.1611 to align # Constraint # added constraint: constraint((T0338)Y168.CB, (T0338)A253.CB) [> 4.5993 = 7.6656 < 9.9653] w=0.1611 to align # Constraint # added constraint: constraint((T0338)Q165.CB, (T0338)A253.CB) [> 4.0713 = 6.7855 < 8.8211] w=0.1611 to align # Constraint # added constraint: constraint((T0338)V22.CB, (T0338)Y63.CB) [> 4.5710 = 7.6183 < 9.9038] w=0.1605 to align # Constraint # added constraint: constraint((T0338)V207.CB, (T0338)D228.CB) [> 3.8613 = 6.4355 < 8.3662] w=0.1603 to align # Constraint # added constraint: constraint((T0338)A103.CB, (T0338)L120.CB) [> 3.6032 = 6.0053 < 7.8069] w=0.1603 to align # Constraint # added constraint: constraint((T0338)L12.CB, (T0338)K185.CB) [> 3.8873 = 6.4788 < 8.4224] w=0.1603 to align # Constraint # added constraint: constraint((T0338)I38.CB, (T0338)S78.CB) [> 4.5644 = 7.6074 < 9.8897] w=0.1602 to align # Constraint # added constraint: constraint((T0338)C193.CB, (T0338)L238.CB) [> 4.5265 = 7.5442 < 9.8074] w=0.1602 to align # Constraint # added constraint: constraint((T0338)S67.CB, (T0338)T136.CB) [> 2.6068 = 4.3447 < 5.6481] w=0.1599 to align # Constraint # added constraint: constraint((T0338)W215.CB, (T0338)L227.CB) [> 4.3437 = 7.2395 < 9.4114] w=0.1599 to align # Constraint # added constraint: constraint((T0338)C181.CB, (T0338)L230.CB) [> 3.8097 = 6.3495 < 8.2544] w=0.1586 to align # Constraint # added constraint: constraint((T0338)T79.CB, (T0338)V127.CB) [> 4.7882 = 7.9804 < 10.3745] w=0.1519 to align # Constraint # added constraint: constraint((T0338)R158.CB, (T0338)W203.CB) [> 4.6717 = 7.7862 < 10.1220] w=0.1519 to align # Constraint # added constraint: constraint((T0338)I194.CB, (T0338)W215.CB) [> 4.3938 = 7.3230 < 9.5199] w=0.1462 to align # Constraint # added constraint: constraint((T0338)R9.CB, (T0338)T142.CB) [> 4.6349 = 7.7248 < 10.0423] w=0.1342 to align # Constraint # added constraint: constraint((T0338)H96.CB, (T0338)T123.CB) [> 3.7901 = 6.3169 < 8.2119] w=0.1339 to align # Constraint # added constraint: constraint((T0338)K99.CB, (T0338)T123.CB) [> 2.9965 = 4.9942 < 6.4924] w=0.1339 to align # Constraint # added constraint: constraint((T0338)I75.CB, (T0338)L120.CB) [> 4.5978 = 7.6630 < 9.9618] w=0.1338 to align # Constraint # added constraint: constraint((T0338)V188.CB, (T0338)W215.CB) [> 4.2877 = 7.1461 < 9.2899] w=0.1331 to align # Constraint # added constraint: constraint((T0338)Y217.CB, (T0338)L226.CB) [> 3.9574 = 6.5957 < 8.5744] w=0.1331 to align # Constraint # added constraint: constraint((T0338)L37.CB, (T0338)S78.CB) [> 4.7005 = 7.8341 < 10.1844] w=0.1256 to align # Constraint # added constraint: constraint((T0338)V157.CB, (T0338)W214.CB) [> 3.3629 = 5.6049 < 7.2864] w=0.1193 to align # Constraint # added constraint: constraint((T0338)A34.CB, (T0338)Y63.CB) [> 4.1980 = 6.9966 < 9.0956] w=0.1150 to align # Constraint # added constraint: constraint((T0338)V97.CB, (T0338)L111.CB) [> 3.7215 = 6.2025 < 8.0633] w=0.1074 to align # Constraint # added constraint: constraint((T0338)H96.CB, (T0338)L111.CB) [> 4.5312 = 7.5520 < 9.8175] w=0.1074 to align # Constraint # added constraint: constraint((T0338)C30.CB, (T0338)R249.CB) [> 3.7504 = 6.2506 < 8.1258] w=0.1074 to align # Constraint # added constraint: constraint((T0338)I98.CB, (T0338)L111.CB) [> 4.2250 = 7.0416 < 9.1541] w=0.1074 to align # Constraint # added constraint: constraint((T0338)I98.CB, (T0338)L112.CB) [> 3.5014 = 5.8356 < 7.5863] w=0.1074 to align # Constraint # added constraint: constraint((T0338)C198.CB, (T0338)S208.CB) [> 4.3587 = 7.2646 < 9.4440] w=0.1074 to align # Constraint # added constraint: constraint((T0338)T187.CB, (T0338)W214.CB) [> 4.1603 = 6.9338 < 9.0140] w=0.1071 to align # Constraint # added constraint: constraint((T0338)C153.CB, (T0338)Y217.CB) [> 4.1183 = 6.8638 < 8.9230] w=0.1071 to align # Constraint # added constraint: constraint((T0338)I75.CB, (T0338)A103.CB) [> 3.1838 = 5.3064 < 6.8983] w=0.0925 to align # Constraint # added constraint: constraint((T0338)A103.CB, (T0338)L126.CB) [> 3.5462 = 5.9104 < 7.6835] w=0.0925 to align # Constraint # added constraint: constraint((T0338)C104.CB, (T0338)T123.CB) [> 3.1577 = 5.2628 < 6.8416] w=0.0925 to align # Constraint # added constraint: constraint((T0338)C104.CB, (T0338)L126.CB) [> 4.1791 = 6.9652 < 9.0547] w=0.0925 to align # Constraint # added constraint: constraint((T0338)S67.CB, (T0338)I76.CB) [> 3.6282 = 6.0471 < 7.8612] w=0.0886 to align # Constraint # added constraint: constraint((T0338)L163.CB, (T0338)W200.CB) [> 4.7660 = 7.9434 < 10.3264] w=0.0861 to align # Constraint # added constraint: constraint((T0338)L94.CB, (T0338)E130.CB) [> 4.7733 = 7.9556 < 10.3423] w=0.0842 to align # Constraint # added constraint: constraint((T0338)F62.CB, (T0338)T79.CB) [> 4.7086 = 7.8477 < 10.2020] w=0.0805 to align # Constraint # added constraint: constraint((T0338)V57.CB, (T0338)P186.CB) [> 4.7835 = 7.9726 < 10.3644] w=0.0805 to align # Constraint # added constraint: constraint((T0338)Q155.CB, (T0338)H213.CB) [> 4.5244 = 7.5407 < 9.8029] w=0.0805 to align # Constraint # added constraint: constraint((T0338)K185.CB, (T0338)V218.CB) [> 3.9347 = 6.5579 < 8.5252] w=0.0805 to align # Constraint # added constraint: constraint((T0338)F6.CB, (T0338)K152.CB) [> 4.2593 = 7.0989 < 9.2285] w=0.0802 to align # Constraint # added constraint: constraint((T0338)V157.CB, (T0338)V207.CB) [> 4.1279 = 6.8797 < 8.9437] w=0.0802 to align # Constraint # added constraint: constraint((T0338)L12.CB, (T0338)P186.CB) [> 3.7441 = 6.2402 < 8.1123] w=0.0798 to align # Constraint # added constraint: constraint((T0338)R31.CB, (T0338)L182.CB) [> 4.7658 = 7.9430 < 10.3260] w=0.0796 to align # Constraint # added constraint: constraint((T0338)Q49.CB, (T0338)A164.CB) [> 4.5441 = 7.5735 < 9.8456] w=0.0796 to align # Constraint # added constraint: constraint((T0338)S174.CB, (T0338)L235.CB) [> 4.6383 = 7.7305 < 10.0496] w=0.0796 to align # Constraint # added constraint: constraint((T0338)L37.CB, (T0338)A101.CB) [> 4.5391 = 7.5652 < 9.8347] w=0.0783 to align # Constraint # added constraint: constraint((T0338)S77.CB, (T0338)A101.CB) [> 4.6727 = 7.7878 < 10.1242] w=0.0783 to align # Constraint # added constraint: constraint((T0338)C181.CB, (T0338)V192.CB) [> 4.5954 = 7.6591 < 9.9568] w=0.0780 to align # Constraint # added constraint: constraint((T0338)A101.CB, (T0338)D113.CB) [> 3.2875 = 5.4792 < 7.1230] w=0.0660 to align # Constraint # added constraint: constraint((T0338)S78.CB, (T0338)V100.CB) [> 4.4302 = 7.3837 < 9.5988] w=0.0638 to align # Constraint # added constraint: constraint((T0338)A91.CB, (T0338)V151.CB) [> 4.6622 = 7.7704 < 10.1015] w=0.0591 to align # Constraint # added constraint: constraint((T0338)C191.CB, (T0338)D219.CB) [> 4.6228 = 7.7047 < 10.0161] w=0.0559 to align # Constraint # added constraint: constraint((T0338)V47.CB, (T0338)C104.CB) [> 4.5767 = 7.6279 < 9.9162] w=0.0559 to align # Constraint # added constraint: constraint((T0338)E40.CB, (T0338)T114.CB) [> 4.5203 = 7.5339 < 9.7940] w=0.0541 to align # Constraint # added constraint: constraint((T0338)C30.CB, (T0338)L245.CB) [> 4.2045 = 7.0075 < 9.1097] w=0.0537 to align # Constraint # added constraint: constraint((T0338)C30.CB, (T0338)I248.CB) [> 3.2145 = 5.3576 < 6.9648] w=0.0537 to align # Constraint # added constraint: constraint((T0338)A101.CB, (T0338)T114.CB) [> 3.1105 = 5.1842 < 6.7395] w=0.0537 to align # Constraint # added constraint: constraint((T0338)P107.CB, (T0338)T123.CB) [> 4.6313 = 7.7188 < 10.0345] w=0.0537 to align # Constraint # added constraint: constraint((T0338)C20.CB, (T0338)L182.CB) [> 4.7751 = 7.9585 < 10.3461] w=0.0537 to align # Constraint # added constraint: constraint((T0338)S3.CB, (T0338)W215.CB) [> 4.1151 = 6.8586 < 8.9162] w=0.0537 to align # Constraint # added constraint: constraint((T0338)S3.CB, (T0338)E216.CB) [> 4.6941 = 7.8234 < 10.1705] w=0.0537 to align # Constraint # added constraint: constraint((T0338)T166.CB, (T0338)A253.CB) [> 4.7918 = 7.9864 < 10.3823] w=0.0537 to align # Constraint # added constraint: constraint((T0338)W214.CB, (T0338)L224.CB) [> 3.8131 = 6.3552 < 8.2617] w=0.0529 to align # Constraint # added constraint: constraint((T0338)T154.CB, (T0338)I205.CB) [> 4.4216 = 7.3693 < 9.5801] w=0.0527 to align # Constraint # added constraint: constraint((T0338)T79.CB, (T0338)L134.CB) [> 4.4565 = 7.4276 < 9.6558] w=0.0450 to align # Constraint # added constraint: constraint((T0338)I194.CB, (T0338)W214.CB) [> 4.0619 = 6.7698 < 8.8007] w=0.0392 to align # Constraint # added constraint: constraint((T0338)A91.CB, (T0338)C198.CB) [> 4.0360 = 6.7266 < 8.7445] w=0.0370 to align # Constraint # added constraint: constraint((T0338)H102.CB, (T0338)T123.CB) [> 3.4289 = 5.7149 < 7.4294] w=0.0369 to align # Constraint # added constraint: constraint((T0338)S48.CB, (T0338)C104.CB) [> 4.1707 = 6.9511 < 9.0365] w=0.0295 to align # Constraint # added constraint: constraint((T0338)V87.CB, (T0338)A103.CB) [> 4.6790 = 7.7983 < 10.1378] w=0.0295 to align # Constraint # added constraint: constraint((T0338)A34.CB, (T0338)I143.CB) [> 4.2508 = 7.0847 < 9.2101] w=0.0268 to align # Constraint # added constraint: constraint((T0338)L12.CB, (T0338)E140.CB) [> 4.2224 = 7.0373 < 9.1485] w=0.0268 to align # Constraint # added constraint: constraint((T0338)Q33.CB, (T0338)I248.CB) [> 4.7955 = 7.9924 < 10.3902] w=0.0268 to align # Constraint # added constraint: constraint((T0338)K26.CB, (T0338)Q183.CB) [> 2.5631 = 4.2718 < 5.5533] w=0.0268 to align # Constraint # added constraint: constraint((T0338)V157.CB, (T0338)K199.CB) [> 4.7203 = 7.8672 < 10.2274] w=0.0268 to align # Constraint # added constraint: constraint((T0338)T154.CB, (T0338)W200.CB) [> 4.5397 = 7.5662 < 9.8361] w=0.0268 to align # Constraint # added constraint: constraint((T0338)T154.CB, (T0338)W214.CB) [> 4.5398 = 7.5662 < 9.8361] w=0.0268 to align # Constraint # added constraint: constraint((T0338)C30.CB, (T0338)A253.CB) [> 3.6834 = 6.1391 < 7.9808] w=0.0268 to align # Constraint # added constraint: constraint((T0338)S3.CB, (T0338)S208.CB) [> 3.3296 = 5.5493 < 7.2140] w=0.0265 to align # Constraint # added constraint: constraint((T0338)E13.CB, (T0338)Y184.CB) [> 4.7494 = 7.9157 < 10.2904] w=0.0264 to align # Constraint # added constraint: constraint((T0338)F7.CB, (T0338)K185.CB) [> 4.7096 = 7.8494 < 10.2042] w=0.0264 to align # Constraint # added constraint: constraint((T0338)M170.CB, (T0338)I248.CB) [> 2.7009 = 4.5015 < 5.8519] w=0.0260 to align # Constraint # added constraint: constraint((T0338)T142.CB, (T0338)Y184.CB) [> 3.7434 = 6.2389 < 8.1106] w=0.0246 to align # Constraint # added constraint: constraint((T0338)D113.CB, (T0338)T123.CB) [> 4.2771 = 7.1285 < 9.2670] w=0.0123 to align # Constraint # added constraint: constraint((T0338)H145.CB, (T0338)Y184.CB) [> 3.6609 = 6.1015 < 7.9319] w=0.0123 to align # Constraint # added constraint: constraint((T0338)K86.CB, (T0338)F139.CB) [> 4.7152 = 7.8587 < 10.2163] w=0.0081 to align # SetCost created cost = # ( 1.0000 * align ) # command:# Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0338/ # command:# reading script from file servers-clean.under # Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0338/decoys/ # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 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 T0338 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 T0338 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 T0338 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 T0338 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 T0338 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 T0338 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 T0338 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 T0338 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 T0338 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 T0338 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 T0338 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 T0338 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 T0338 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 T0338 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 210 # 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 5 # 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 180 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # ReadConformPDB reading from PDB file servers/3Dpro_TS4.pdb.gz looking for model 1 # naming current conformation 3Dpro_TS4 # ReadConformPDB reading from PDB file servers/3Dpro_TS5.pdb.gz looking for model 1 # Found a chain break before 181 # 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 220 # 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 190 # 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 231 # 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 226 # 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 248 # 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 118 # 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 219 # 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 220 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS3.pdb.gz looking for model 1 # Found a chain break before 246 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS4.pdb.gz looking for model 1 # Found a chain break before 246 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS5.pdb.gz looking for model 1 # Found a chain break before 213 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # Found a chain break before 246 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # ReadConformPDB reading from PDB file servers/CIRCLE_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS2 # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS3 # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS4 # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS5 # ReadConformPDB reading from PDB file servers/CPHmodels_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation CPHmodels_TS1 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 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 T0338 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 T0338 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 T0338 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 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 T0338 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 T0338 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 T0338 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 T0338 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 T0338 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 252 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # ReadConformPDB reading from PDB file servers/FAMSD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # ReadConformPDB reading from PDB file servers/FAMSD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 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 T0338 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 T0338 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 245 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation FAMS_TS2 # ReadConformPDB reading from PDB file servers/FAMS_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation FAMS_TS3 # ReadConformPDB reading from PDB file servers/FAMS_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation FAMS_TS4 # ReadConformPDB reading from PDB file servers/FAMS_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation FAMS_TS5 # ReadConformPDB reading from PDB file servers/FOLDpro_TS1.pdb.gz looking for model 1 # Found a chain break before 179 # 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 119 # 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 176 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # ReadConformPDB reading from PDB file servers/FOLDpro_TS4.pdb.gz looking for model 1 # naming current conformation FOLDpro_TS4 # ReadConformPDB reading from PDB file servers/FOLDpro_TS5.pdb.gz looking for model 1 # Found a chain break before 178 # 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 T0338 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 Skipped atom 158, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 160, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 162, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 164, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz # WARNING: incomplete conformation T0338 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 T0338 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 T0338 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # ReadConformPDB reading from PDB file servers/FORTE1_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 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 T0338 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 Skipped atom 158, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 160, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 162, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 164, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz # WARNING: incomplete conformation T0338 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 T0338 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # ReadConformPDB reading from PDB file servers/FORTE2_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 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 T0338 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 253 # 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 248 # 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 244 # 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 218 # 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 255 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # Found a chain break before 252 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS1 # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 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 T0338 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS3 # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # Found a chain break before 177 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS4 # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # Found a chain break before 112 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS5 # ReadConformPDB reading from PDB file servers/FUGUE_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 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 T0338 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # ReadConformPDB reading from PDB file servers/FUGUE_AL3.pdb.gz looking for model 1 Skipped atom 158, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 160, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 162, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 164, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz # WARNING: incomplete conformation T0338 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 T0338 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 T0338 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL5 # ReadConformPDB reading from PDB file servers/FUNCTION_TS1.pdb.gz looking for model 1 # Found a chain break before 246 # 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 245 # 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 241 # 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 251 # 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 238 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # ReadConformPDB reading from PDB file servers/Frankenstein_TS1.pdb.gz looking for model 1 # Found a chain break before 234 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS1 # ReadConformPDB reading from PDB file servers/Frankenstein_TS2.pdb.gz looking for model 1 # Found a chain break before 206 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS2 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # naming current conformation GeneSilicoMetaServer_TS1 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS2.pdb.gz looking for model 1 # Found a chain break before 179 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS3 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS4 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # Found a chain break before 216 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS5 # ReadConformPDB reading from PDB file servers/HHpred1_TS1.pdb.gz looking for model 1 # naming current conformation HHpred1_TS1 # ReadConformPDB reading from PDB file servers/HHpred2_TS1.pdb.gz looking for model 1 # Found a chain break before 67 # 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 222 # 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 T0338 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 T0338 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 T0338 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 T0338 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 T0338 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 T0338 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 T0338 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 T0338 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 T0338 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 T0338 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # ReadConformPDB reading from PDB file servers/MIG_FROST_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation MIG_FROST_AL1 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS1.pdb.gz looking for model 1 # naming current conformation Ma-OPUS-server2_TS1 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS2.pdb.gz looking for model 1 # Found a chain break before 179 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS2 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS3.pdb.gz looking for model 1 # Found a chain break before 24 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS3 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS4.pdb.gz looking for model 1 # Found a chain break before 179 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS4 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS5.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS5 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # Found a chain break before 122 # 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 183 # 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 24 # 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 179 # 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 182 # 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 246 # 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 254 # 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 241 # 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 220 # 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 243 # 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 T0338 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 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation POMYSL_TS1 # ReadConformPDB reading from PDB file servers/POMYSL_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 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: incomplete conformation T0338 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: incomplete conformation T0338 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: incomplete conformation T0338 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 # Found a chain break before 214 # copying to AlignedFragments data structure # naming current conformation PROTINFO-AB_TS1 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS2.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # 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 216 # 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 215 # 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 242 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # ReadConformPDB reading from PDB file servers/PROTINFO_TS4.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS4 # ReadConformPDB reading from PDB file servers/PROTINFO_TS5.pdb.gz looking for model 1 # Found a chain break before 203 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # ReadConformPDB reading from PDB file servers/Pcons6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 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 T0338 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 # Found a chain break before 240 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS3 # ReadConformPDB reading from PDB file servers/Pcons6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # ReadConformPDB reading from PDB file servers/Pcons6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 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 T0338 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 T0338 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 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS2 # ReadConformPDB reading from PDB file servers/Phyre-2_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 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 T0338 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # ReadConformPDB reading from PDB file servers/Phyre-2_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # Found a chain break before 245 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 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 242 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS3 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS4.pdb.gz looking for model 1 # Found a chain break before 245 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS4 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 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 88 # 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 101 # 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 220 # 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 179 # 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 179 # 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 219 # 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 205 # 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 219 # 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 254 # 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 253 # 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 177 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # ReadConformPDB reading from PDB file servers/RAPTOR_TS2.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS2 # ReadConformPDB reading from PDB file servers/RAPTOR_TS3.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # ReadConformPDB reading from PDB file servers/RAPTOR_TS4.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS4 # ReadConformPDB reading from PDB file servers/RAPTOR_TS5.pdb.gz looking for model 1 # Found a chain break before 141 # 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 245 # 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 241 # 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 242 # 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 179 # 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 245 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # ReadConformPDB reading from PDB file servers/ROKKY_TS1.pdb.gz looking for model 1 # Found a chain break before 206 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 # Found a chain break before 216 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # ReadConformPDB reading from PDB file servers/ROKKY_TS3.pdb.gz looking for model 1 # Found a chain break before 203 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # ReadConformPDB reading from PDB file servers/ROKKY_TS4.pdb.gz looking for model 1 # Found a chain break before 179 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # ReadConformPDB reading from PDB file servers/ROKKY_TS5.pdb.gz looking for model 1 # Found a chain break before 179 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # ReadConformPDB reading from PDB file servers/SAM-T02_AL1.pdb.gz looking for model 1 Skipped atom 45, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 46, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 47, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 48, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 265, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 266, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 267, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 268, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 585, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 586, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 587, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 588, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 605, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 606, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 607, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 608, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 621, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 622, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 623, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 624, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 681, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 682, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 683, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 684, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 713, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 714, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 715, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 716, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 777, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 778, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 779, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 780, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 865, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 866, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 867, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 868, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz # WARNING: incomplete conformation T0338 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 T0338 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 T0338 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 T0338 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 T0338 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 T0338 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 T0338 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 T0338 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 T0338 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 T0338 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 237 # 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 T0338 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 T0338 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 T0338 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 T0338 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 69 # 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 175 # 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 71 # 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 95 # 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 179 # 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 175 # 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 175 # 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 179 # 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 177 # 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 219 # 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 176 # 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 177 # 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 218 # 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 182 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # ReadConformPDB reading from PDB file servers/SPARKS2_TS5.pdb.gz looking for model 1 # naming current conformation SPARKS2_TS5 # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 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 T0338 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 T0338 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 T0338 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # ReadConformPDB reading from PDB file servers/UNI-EID_expm_TS1.pdb.gz looking for model 1 WARNING: atoms too close: (T0338)P110.CA and (T0338)L120.CA only 0.000 apart, marking (T0338)L120.CA as missing # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_expm_TS1 # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 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 T0338 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 T0338 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 T0338 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # ReadConformPDB reading from PDB file servers/Zhang-Server_TS1.pdb.gz looking for model 1 # Found a chain break before 183 # 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 221 # 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 208 # 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 222 # 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 115 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # ReadConformPDB reading from PDB file servers/beautshot_TS1.pdb.gz looking for model 1 # Found a chain break before 254 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # ReadConformPDB reading from PDB file servers/beautshotbase_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 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 T0338 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 T0338 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 T0338 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 T0338 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 Skipped atom 158, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 160, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 162, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 164, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz # WARNING: incomplete conformation T0338 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 T0338 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 T0338 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 T0338 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 T0338 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 T0338 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 220 # 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 199 # 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 199 # 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 199 # 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 199 # 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: (T0338)E204.O and (T0338)I205.N only 0.000 apart, marking (T0338)I205.N as missing # WARNING: incomplete conformation T0338 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_TS3.pdb.gz looking for model 1 # Found a chain break before 253 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS4.pdb.gz looking for model 1 # Found a chain break before 255 # 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 # Found a chain break before 250 # 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 T0338 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 T0338 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 T0338 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 T0338 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 T0338 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # naming current conformation keasar-server_TS1 # ReadConformPDB reading from PDB file servers/keasar-server_TS2.pdb.gz looking for model 1 # naming current conformation keasar-server_TS2 # ReadConformPDB reading from PDB file servers/keasar-server_TS3.pdb.gz looking for model 1 # naming current conformation keasar-server_TS3 # ReadConformPDB reading from PDB file servers/keasar-server_TS4.pdb.gz looking for model 1 # Found a chain break before 106 # 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 # naming current conformation keasar-server_TS5 # ReadConformPDB reading from PDB file servers/mGen-3D_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 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 T0338 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # ReadConformPDB reading from PDB file servers/nFOLD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 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 T0338 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 T0338 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 T0338 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # ReadConformPDB reading from PDB file servers/panther2_TS1.pdb.gz looking for model 1 WARNING: atoms too close: (T0338)Q90.N and (T0338)A91.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)A91.CA only 0.000 apart, marking (T0338)A91.CA as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)A91.CB only 0.000 apart, marking (T0338)A91.CB as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)A91.O only 0.000 apart, marking (T0338)A91.O as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)A91.C only 0.000 apart, marking (T0338)A91.C as missing WARNING: atoms too close: (T0338)A91.N and (T0338)R92.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)R92.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)R92.CA only 0.000 apart, marking (T0338)R92.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)R92.CA only 0.000 apart, marking (T0338)R92.CA as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)R92.CB only 0.000 apart, marking (T0338)R92.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)R92.CB only 0.000 apart, marking (T0338)R92.CB as missing WARNING: atoms too close: (T0338)Q90.CG and (T0338)R92.CG only 0.000 apart, marking (T0338)R92.CG as missing WARNING: atoms too close: (T0338)A91.O and (T0338)R92.O only 0.000 apart, marking (T0338)R92.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)R92.O only 0.000 apart, marking (T0338)R92.O as missing WARNING: atoms too close: (T0338)A91.C and (T0338)R92.C only 0.000 apart, marking (T0338)R92.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)R92.C only 0.000 apart, marking (T0338)R92.C as missing WARNING: atoms too close: (T0338)R92.N and (T0338)K93.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.N and (T0338)K93.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)K93.N only 0.000 apart, marking (T0338)K93.N as missing WARNING: atoms too close: (T0338)R92.CA and (T0338)K93.CA only 0.000 apart, marking (T0338)K93.CA as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)K93.CA only 0.000 apart, marking (T0338)K93.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)K93.CA only 0.000 apart, marking (T0338)K93.CA as missing WARNING: atoms too close: (T0338)R92.CB and (T0338)K93.CB only 0.000 apart, marking (T0338)K93.CB as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)K93.CB only 0.000 apart, marking (T0338)K93.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)K93.CB only 0.000 apart, marking (T0338)K93.CB as missing WARNING: atoms too close: (T0338)R92.CG and (T0338)K93.CG only 0.000 apart, marking (T0338)K93.CG as missing WARNING: atoms too close: (T0338)Q90.CG and (T0338)K93.CG only 0.000 apart, marking (T0338)K93.CG as missing WARNING: atoms too close: (T0338)R92.O and (T0338)K93.O only 0.000 apart, marking (T0338)K93.O as missing WARNING: atoms too close: (T0338)A91.O and (T0338)K93.O only 0.000 apart, marking (T0338)K93.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)K93.O only 0.000 apart, marking (T0338)K93.O as missing WARNING: atoms too close: (T0338)R92.C and (T0338)K93.C only 0.000 apart, marking (T0338)K93.C as missing WARNING: atoms too close: (T0338)A91.C and (T0338)K93.C only 0.000 apart, marking (T0338)K93.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)K93.C only 0.000 apart, marking (T0338)K93.C as missing WARNING: atoms too close: (T0338)K93.N and (T0338)L94.N only 0.000 apart, marking (T0338)K93.N as missing WARNING: atoms too close: (T0338)R92.N and (T0338)L94.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.N and (T0338)L94.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)L94.N only 0.000 apart, marking (T0338)L94.N as missing WARNING: atoms too close: (T0338)K93.CA and (T0338)L94.CA only 0.000 apart, marking (T0338)L94.CA as missing WARNING: atoms too close: (T0338)R92.CA and (T0338)L94.CA only 0.000 apart, marking (T0338)L94.CA as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)L94.CA only 0.000 apart, marking (T0338)L94.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)L94.CA only 0.000 apart, marking (T0338)L94.CA as missing WARNING: atoms too close: (T0338)K93.CB and (T0338)L94.CB only 0.000 apart, marking (T0338)L94.CB as missing WARNING: atoms too close: (T0338)R92.CB and (T0338)L94.CB only 0.000 apart, marking (T0338)L94.CB as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)L94.CB only 0.000 apart, marking (T0338)L94.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)L94.CB only 0.000 apart, marking (T0338)L94.CB as missing WARNING: atoms too close: (T0338)K93.CG and (T0338)L94.CG only 0.000 apart, marking (T0338)L94.CG as missing WARNING: atoms too close: (T0338)R92.CG and (T0338)L94.CG only 0.000 apart, marking (T0338)L94.CG as missing WARNING: atoms too close: (T0338)Q90.CG and (T0338)L94.CG only 0.000 apart, marking (T0338)L94.CG as missing WARNING: atoms too close: (T0338)K93.O and (T0338)L94.O only 0.000 apart, marking (T0338)L94.O as missing WARNING: atoms too close: (T0338)R92.O and (T0338)L94.O only 0.000 apart, marking (T0338)L94.O as missing WARNING: atoms too close: (T0338)A91.O and (T0338)L94.O only 0.000 apart, marking (T0338)L94.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)L94.O only 0.000 apart, marking (T0338)L94.O as missing WARNING: atoms too close: (T0338)K93.C and (T0338)L94.C only 0.000 apart, marking (T0338)L94.C as missing WARNING: atoms too close: (T0338)R92.C and (T0338)L94.C only 0.000 apart, marking (T0338)L94.C as missing WARNING: atoms too close: (T0338)A91.C and (T0338)L94.C only 0.000 apart, marking (T0338)L94.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)L94.C only 0.000 apart, marking (T0338)L94.C as missing WARNING: atoms too close: (T0338)L94.N and (T0338)E95.N only 0.000 apart, marking (T0338)L94.N as missing WARNING: atoms too close: (T0338)K93.N and (T0338)E95.N only 0.000 apart, marking (T0338)K93.N as missing WARNING: atoms too close: (T0338)R92.N and (T0338)E95.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.N and (T0338)E95.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)E95.N only 0.000 apart, marking (T0338)E95.N as missing WARNING: atoms too close: (T0338)L94.CA and (T0338)E95.CA only 0.000 apart, marking (T0338)E95.CA as missing WARNING: atoms too close: (T0338)K93.CA and (T0338)E95.CA only 0.000 apart, marking (T0338)E95.CA as missing WARNING: atoms too close: (T0338)R92.CA and (T0338)E95.CA only 0.000 apart, marking (T0338)E95.CA as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)E95.CA only 0.000 apart, marking (T0338)E95.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)E95.CA only 0.000 apart, marking (T0338)E95.CA as missing WARNING: atoms too close: (T0338)L94.CB and (T0338)E95.CB only 0.000 apart, marking (T0338)E95.CB as missing WARNING: atoms too close: (T0338)K93.CB and (T0338)E95.CB only 0.000 apart, marking (T0338)E95.CB as missing WARNING: atoms too close: (T0338)R92.CB and (T0338)E95.CB only 0.000 apart, marking (T0338)E95.CB as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)E95.CB only 0.000 apart, marking (T0338)E95.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)E95.CB only 0.000 apart, marking (T0338)E95.CB as missing WARNING: atoms too close: (T0338)L94.CG and (T0338)E95.CG only 0.000 apart, marking (T0338)E95.CG as missing WARNING: atoms too close: (T0338)K93.CG and (T0338)E95.CG only 0.000 apart, marking (T0338)E95.CG as missing WARNING: atoms too close: (T0338)R92.CG and (T0338)E95.CG only 0.000 apart, marking (T0338)E95.CG as missing WARNING: atoms too close: (T0338)Q90.CG and (T0338)E95.CG only 0.000 apart, marking (T0338)E95.CG as missing WARNING: atoms too close: (T0338)L94.O and (T0338)E95.O only 0.000 apart, marking (T0338)E95.O as missing WARNING: atoms too close: (T0338)K93.O and (T0338)E95.O only 0.000 apart, marking (T0338)E95.O as missing WARNING: atoms too close: (T0338)R92.O and (T0338)E95.O only 0.000 apart, marking (T0338)E95.O as missing WARNING: atoms too close: (T0338)A91.O and (T0338)E95.O only 0.000 apart, marking (T0338)E95.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)E95.O only 0.000 apart, marking (T0338)E95.O as missing WARNING: atoms too close: (T0338)L94.C and (T0338)E95.C only 0.000 apart, marking (T0338)E95.C as missing WARNING: atoms too close: (T0338)K93.C and (T0338)E95.C only 0.000 apart, marking (T0338)E95.C as missing WARNING: atoms too close: (T0338)R92.C and (T0338)E95.C only 0.000 apart, marking (T0338)E95.C as missing WARNING: atoms too close: (T0338)A91.C and (T0338)E95.C only 0.000 apart, marking (T0338)E95.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)E95.C only 0.000 apart, marking (T0338)E95.C as missing WARNING: atoms too close: (T0338)E95.N and (T0338)H96.N only 0.000 apart, marking (T0338)E95.N as missing WARNING: atoms too close: (T0338)L94.N and (T0338)H96.N only 0.000 apart, marking (T0338)L94.N as missing WARNING: atoms too close: (T0338)K93.N and (T0338)H96.N only 0.000 apart, marking (T0338)K93.N as missing WARNING: atoms too close: (T0338)R92.N and (T0338)H96.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.N and (T0338)H96.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)H96.N only 0.000 apart, marking (T0338)H96.N as missing WARNING: atoms too close: (T0338)E95.CA and (T0338)H96.CA only 0.000 apart, marking (T0338)H96.CA as missing WARNING: atoms too close: (T0338)L94.CA and (T0338)H96.CA only 0.000 apart, marking (T0338)H96.CA as missing WARNING: atoms too close: (T0338)K93.CA and (T0338)H96.CA only 0.000 apart, marking (T0338)H96.CA as missing WARNING: atoms too close: (T0338)R92.CA and (T0338)H96.CA only 0.000 apart, marking (T0338)H96.CA as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)H96.CA only 0.000 apart, marking (T0338)H96.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)H96.CA only 0.000 apart, marking (T0338)H96.CA as missing WARNING: atoms too close: (T0338)E95.CB and (T0338)H96.CB only 0.000 apart, marking (T0338)H96.CB as missing WARNING: atoms too close: (T0338)L94.CB and (T0338)H96.CB only 0.000 apart, marking (T0338)H96.CB as missing WARNING: atoms too close: (T0338)K93.CB and (T0338)H96.CB only 0.000 apart, marking (T0338)H96.CB as missing WARNING: atoms too close: (T0338)R92.CB and (T0338)H96.CB only 0.000 apart, marking (T0338)H96.CB as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)H96.CB only 0.000 apart, marking (T0338)H96.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)H96.CB only 0.000 apart, marking (T0338)H96.CB as missing WARNING: atoms too close: (T0338)E95.CG and (T0338)H96.CG only 0.000 apart, marking (T0338)H96.CG as missing WARNING: atoms too close: (T0338)L94.CG and (T0338)H96.CG only 0.000 apart, marking (T0338)H96.CG as missing WARNING: atoms too close: (T0338)K93.CG and (T0338)H96.CG only 0.000 apart, marking (T0338)H96.CG as missing WARNING: atoms too close: (T0338)R92.CG and (T0338)H96.CG only 0.000 apart, marking (T0338)H96.CG as missing WARNING: atoms too close: (T0338)Q90.CG and (T0338)H96.CG only 0.000 apart, marking (T0338)H96.CG as missing WARNING: atoms too close: (T0338)E95.O and (T0338)H96.O only 0.000 apart, marking (T0338)H96.O as missing WARNING: atoms too close: (T0338)L94.O and (T0338)H96.O only 0.000 apart, marking (T0338)H96.O as missing WARNING: atoms too close: (T0338)K93.O and (T0338)H96.O only 0.000 apart, marking (T0338)H96.O as missing WARNING: atoms too close: (T0338)R92.O and (T0338)H96.O only 0.000 apart, marking (T0338)H96.O as missing WARNING: atoms too close: (T0338)A91.O and (T0338)H96.O only 0.000 apart, marking (T0338)H96.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)H96.O only 0.000 apart, marking (T0338)H96.O as missing WARNING: atoms too close: (T0338)E95.C and (T0338)H96.C only 0.000 apart, marking (T0338)H96.C as missing WARNING: atoms too close: (T0338)L94.C and (T0338)H96.C only 0.000 apart, marking (T0338)H96.C as missing WARNING: atoms too close: (T0338)K93.C and (T0338)H96.C only 0.000 apart, marking (T0338)H96.C as missing WARNING: atoms too close: (T0338)R92.C and (T0338)H96.C only 0.000 apart, marking (T0338)H96.C as missing WARNING: atoms too close: (T0338)A91.C and (T0338)H96.C only 0.000 apart, marking (T0338)H96.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)H96.C only 0.000 apart, marking (T0338)H96.C as missing WARNING: atoms too close: (T0338)H96.N and (T0338)V97.N only 0.000 apart, marking (T0338)H96.N as missing WARNING: atoms too close: (T0338)E95.N and (T0338)V97.N only 0.000 apart, marking (T0338)E95.N as missing WARNING: atoms too close: (T0338)L94.N and (T0338)V97.N only 0.000 apart, marking (T0338)L94.N as missing WARNING: atoms too close: (T0338)K93.N and (T0338)V97.N only 0.000 apart, marking (T0338)K93.N as missing WARNING: atoms too close: (T0338)R92.N and (T0338)V97.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.N and (T0338)V97.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)V97.N only 0.000 apart, marking (T0338)V97.N as missing WARNING: atoms too close: (T0338)H96.CA and (T0338)V97.CA only 0.000 apart, marking (T0338)V97.CA as missing WARNING: atoms too close: (T0338)E95.CA and (T0338)V97.CA only 0.000 apart, marking (T0338)V97.CA as missing WARNING: atoms too close: (T0338)L94.CA and (T0338)V97.CA only 0.000 apart, marking (T0338)V97.CA as missing WARNING: atoms too close: (T0338)K93.CA and (T0338)V97.CA only 0.000 apart, marking (T0338)V97.CA as missing WARNING: atoms too close: (T0338)R92.CA and (T0338)V97.CA only 0.000 apart, marking (T0338)V97.CA as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)V97.CA only 0.000 apart, marking (T0338)V97.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)V97.CA only 0.000 apart, marking (T0338)V97.CA as missing WARNING: atoms too close: (T0338)H96.CB and (T0338)V97.CB only 0.000 apart, marking (T0338)V97.CB as missing WARNING: atoms too close: (T0338)E95.CB and (T0338)V97.CB only 0.000 apart, marking (T0338)V97.CB as missing WARNING: atoms too close: (T0338)L94.CB and (T0338)V97.CB only 0.000 apart, marking (T0338)V97.CB as missing WARNING: atoms too close: (T0338)K93.CB and (T0338)V97.CB only 0.000 apart, marking (T0338)V97.CB as missing WARNING: atoms too close: (T0338)R92.CB and (T0338)V97.CB only 0.000 apart, marking (T0338)V97.CB as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)V97.CB only 0.000 apart, marking (T0338)V97.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)V97.CB only 0.000 apart, marking (T0338)V97.CB as missing WARNING: atoms too close: (T0338)H96.CG and (T0338)V97.CG1 only 0.000 apart, marking (T0338)V97.CG1 as missing WARNING: atoms too close: (T0338)E95.CG and (T0338)V97.CG1 only 0.000 apart, marking (T0338)V97.CG1 as missing WARNING: atoms too close: (T0338)L94.CG and (T0338)V97.CG1 only 0.000 apart, marking (T0338)V97.CG1 as missing WARNING: atoms too close: (T0338)K93.CG and (T0338)V97.CG1 only 0.000 apart, marking (T0338)V97.CG1 as missing WARNING: atoms too close: (T0338)R92.CG and (T0338)V97.CG1 only 0.000 apart, marking (T0338)V97.CG1 as missing WARNING: atoms too close: (T0338)Q90.CG and (T0338)V97.CG1 only 0.000 apart, marking (T0338)V97.CG1 as missing WARNING: atoms too close: (T0338)H96.O and (T0338)V97.O only 0.000 apart, marking (T0338)V97.O as missing WARNING: atoms too close: (T0338)E95.O and (T0338)V97.O only 0.000 apart, marking (T0338)V97.O as missing WARNING: atoms too close: (T0338)L94.O and (T0338)V97.O only 0.000 apart, marking (T0338)V97.O as missing WARNING: atoms too close: (T0338)K93.O and (T0338)V97.O only 0.000 apart, marking (T0338)V97.O as missing WARNING: atoms too close: (T0338)R92.O and (T0338)V97.O only 0.000 apart, marking (T0338)V97.O as missing WARNING: atoms too close: (T0338)A91.O and (T0338)V97.O only 0.000 apart, marking (T0338)V97.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)V97.O only 0.000 apart, marking (T0338)V97.O as missing WARNING: atoms too close: (T0338)H96.C and (T0338)V97.C only 0.000 apart, marking (T0338)V97.C as missing WARNING: atoms too close: (T0338)E95.C and (T0338)V97.C only 0.000 apart, marking (T0338)V97.C as missing WARNING: atoms too close: (T0338)L94.C and (T0338)V97.C only 0.000 apart, marking (T0338)V97.C as missing WARNING: atoms too close: (T0338)K93.C and (T0338)V97.C only 0.000 apart, marking (T0338)V97.C as missing WARNING: atoms too close: (T0338)R92.C and (T0338)V97.C only 0.000 apart, marking (T0338)V97.C as missing WARNING: atoms too close: (T0338)A91.C and (T0338)V97.C only 0.000 apart, marking (T0338)V97.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)V97.C only 0.000 apart, marking (T0338)V97.C as missing WARNING: atoms too close: (T0338)V97.N and (T0338)I98.N only 0.000 apart, marking (T0338)V97.N as missing WARNING: atoms too close: (T0338)H96.N and (T0338)I98.N only 0.000 apart, marking (T0338)H96.N as missing WARNING: atoms too close: (T0338)E95.N and (T0338)I98.N only 0.000 apart, marking (T0338)E95.N as missing WARNING: atoms too close: (T0338)L94.N and (T0338)I98.N only 0.000 apart, marking (T0338)L94.N as missing WARNING: atoms too close: (T0338)K93.N and (T0338)I98.N only 0.000 apart, marking (T0338)K93.N as missing WARNING: atoms too close: (T0338)R92.N and (T0338)I98.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.N and (T0338)I98.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)I98.N only 0.000 apart, marking (T0338)I98.N as missing WARNING: atoms too close: (T0338)V97.CA and (T0338)I98.CA only 0.000 apart, marking (T0338)I98.CA as missing WARNING: atoms too close: (T0338)H96.CA and (T0338)I98.CA only 0.000 apart, marking (T0338)I98.CA as missing WARNING: atoms too close: (T0338)E95.CA and (T0338)I98.CA only 0.000 apart, marking (T0338)I98.CA as missing WARNING: atoms too close: (T0338)L94.CA and (T0338)I98.CA only 0.000 apart, marking (T0338)I98.CA as missing WARNING: atoms too close: (T0338)K93.CA and (T0338)I98.CA only 0.000 apart, marking (T0338)I98.CA as missing WARNING: atoms too close: (T0338)R92.CA and (T0338)I98.CA only 0.000 apart, marking (T0338)I98.CA as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)I98.CA only 0.000 apart, marking (T0338)I98.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)I98.CA only 0.000 apart, marking (T0338)I98.CA as missing WARNING: atoms too close: (T0338)V97.CB and (T0338)I98.CB only 0.000 apart, marking (T0338)I98.CB as missing WARNING: atoms too close: (T0338)H96.CB and (T0338)I98.CB only 0.000 apart, marking (T0338)I98.CB as missing WARNING: atoms too close: (T0338)E95.CB and (T0338)I98.CB only 0.000 apart, marking (T0338)I98.CB as missing WARNING: atoms too close: (T0338)L94.CB and (T0338)I98.CB only 0.000 apart, marking (T0338)I98.CB as missing WARNING: atoms too close: (T0338)K93.CB and (T0338)I98.CB only 0.000 apart, marking (T0338)I98.CB as missing WARNING: atoms too close: (T0338)R92.CB and (T0338)I98.CB only 0.000 apart, marking (T0338)I98.CB as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)I98.CB only 0.000 apart, marking (T0338)I98.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)I98.CB only 0.000 apart, marking (T0338)I98.CB as missing WARNING: atoms too close: (T0338)V97.CG1 and (T0338)I98.CG1 only 0.000 apart, marking (T0338)I98.CG1 as missing WARNING: atoms too close: (T0338)H96.CG and (T0338)I98.CG1 only 0.000 apart, marking (T0338)I98.CG1 as missing WARNING: atoms too close: (T0338)E95.CG and (T0338)I98.CG1 only 0.000 apart, marking (T0338)I98.CG1 as missing WARNING: atoms too close: (T0338)L94.CG and (T0338)I98.CG1 only 0.000 apart, marking (T0338)I98.CG1 as missing WARNING: atoms too close: (T0338)K93.CG and (T0338)I98.CG1 only 0.000 apart, marking (T0338)I98.CG1 as missing WARNING: atoms too close: (T0338)R92.CG and (T0338)I98.CG1 only 0.000 apart, marking (T0338)I98.CG1 as missing WARNING: atoms too close: (T0338)Q90.CG and (T0338)I98.CG1 only 0.000 apart, marking (T0338)I98.CG1 as missing WARNING: atoms too close: (T0338)V97.O and (T0338)I98.O only 0.000 apart, marking (T0338)I98.O as missing WARNING: atoms too close: (T0338)H96.O and (T0338)I98.O only 0.000 apart, marking (T0338)I98.O as missing WARNING: atoms too close: (T0338)E95.O and (T0338)I98.O only 0.000 apart, marking (T0338)I98.O as missing WARNING: atoms too close: (T0338)L94.O and (T0338)I98.O only 0.000 apart, marking (T0338)I98.O as missing WARNING: atoms too close: (T0338)K93.O and (T0338)I98.O only 0.000 apart, marking (T0338)I98.O as missing WARNING: atoms too close: (T0338)R92.O and (T0338)I98.O only 0.000 apart, marking (T0338)I98.O as missing WARNING: atoms too close: (T0338)A91.O and (T0338)I98.O only 0.000 apart, marking (T0338)I98.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)I98.O only 0.000 apart, marking (T0338)I98.O as missing WARNING: atoms too close: (T0338)V97.C and (T0338)I98.C only 0.000 apart, marking (T0338)I98.C as missing WARNING: atoms too close: (T0338)H96.C and (T0338)I98.C only 0.000 apart, marking (T0338)I98.C as missing WARNING: atoms too close: (T0338)E95.C and (T0338)I98.C only 0.000 apart, marking (T0338)I98.C as missing WARNING: atoms too close: (T0338)L94.C and (T0338)I98.C only 0.000 apart, marking (T0338)I98.C as missing WARNING: atoms too close: (T0338)K93.C and (T0338)I98.C only 0.000 apart, marking (T0338)I98.C as missing WARNING: atoms too close: (T0338)R92.C and (T0338)I98.C only 0.000 apart, marking (T0338)I98.C as missing WARNING: atoms too close: (T0338)A91.C and (T0338)I98.C only 0.000 apart, marking (T0338)I98.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)I98.C only 0.000 apart, marking (T0338)I98.C as missing WARNING: atoms too close: (T0338)I98.N and (T0338)K99.N only 0.000 apart, marking (T0338)I98.N as missing WARNING: atoms too close: (T0338)V97.N and (T0338)K99.N only 0.000 apart, marking (T0338)V97.N as missing WARNING: atoms too close: (T0338)H96.N and (T0338)K99.N only 0.000 apart, marking (T0338)H96.N as missing WARNING: atoms too close: (T0338)E95.N and (T0338)K99.N only 0.000 apart, marking (T0338)E95.N as missing WARNING: atoms too close: (T0338)L94.N and (T0338)K99.N only 0.000 apart, marking (T0338)L94.N as missing WARNING: atoms too close: (T0338)K93.N and (T0338)K99.N only 0.000 apart, marking (T0338)K93.N as missing WARNING: atoms too close: (T0338)R92.N and (T0338)K99.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.N and (T0338)K99.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)K99.N only 0.000 apart, marking (T0338)K99.N as missing WARNING: atoms too close: (T0338)I98.CA and (T0338)K99.CA only 0.000 apart, marking (T0338)K99.CA as missing WARNING: atoms too close: (T0338)V97.CA and (T0338)K99.CA only 0.000 apart, marking (T0338)K99.CA as missing WARNING: atoms too close: (T0338)H96.CA and (T0338)K99.CA only 0.000 apart, marking (T0338)K99.CA as missing WARNING: atoms too close: (T0338)E95.CA and (T0338)K99.CA only 0.000 apart, marking (T0338)K99.CA as missing WARNING: atoms too close: (T0338)L94.CA and (T0338)K99.CA only 0.000 apart, marking (T0338)K99.CA as missing WARNING: atoms too close: (T0338)K93.CA and (T0338)K99.CA only 0.000 apart, marking (T0338)K99.CA as missing WARNING: atoms too close: (T0338)R92.CA and (T0338)K99.CA only 0.000 apart, marking (T0338)K99.CA as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)K99.CA only 0.000 apart, marking (T0338)K99.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)K99.CA only 0.000 apart, marking (T0338)K99.CA as missing WARNING: atoms too close: (T0338)I98.CB and (T0338)K99.CB only 0.000 apart, marking (T0338)K99.CB as missing WARNING: atoms too close: (T0338)V97.CB and (T0338)K99.CB only 0.000 apart, marking (T0338)K99.CB as missing WARNING: atoms too close: (T0338)H96.CB and (T0338)K99.CB only 0.000 apart, marking (T0338)K99.CB as missing WARNING: atoms too close: (T0338)E95.CB and (T0338)K99.CB only 0.000 apart, marking (T0338)K99.CB as missing WARNING: atoms too close: (T0338)L94.CB and (T0338)K99.CB only 0.000 apart, marking (T0338)K99.CB as missing WARNING: atoms too close: (T0338)K93.CB and (T0338)K99.CB only 0.000 apart, marking (T0338)K99.CB as missing WARNING: atoms too close: (T0338)R92.CB and (T0338)K99.CB only 0.000 apart, marking (T0338)K99.CB as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)K99.CB only 0.000 apart, marking (T0338)K99.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)K99.CB only 0.000 apart, marking (T0338)K99.CB as missing WARNING: atoms too close: (T0338)I98.CG1 and (T0338)K99.CG only 0.000 apart, marking (T0338)K99.CG as missing WARNING: atoms too close: (T0338)V97.CG1 and (T0338)K99.CG only 0.000 apart, marking (T0338)K99.CG as missing WARNING: atoms too close: (T0338)H96.CG and (T0338)K99.CG only 0.000 apart, marking (T0338)K99.CG as missing WARNING: atoms too close: (T0338)E95.CG and (T0338)K99.CG only 0.000 apart, marking (T0338)K99.CG as missing WARNING: atoms too close: (T0338)L94.CG and (T0338)K99.CG only 0.000 apart, marking (T0338)K99.CG as missing WARNING: atoms too close: (T0338)K93.CG and (T0338)K99.CG only 0.000 apart, marking (T0338)K99.CG as missing WARNING: atoms too close: (T0338)R92.CG and (T0338)K99.CG only 0.000 apart, marking (T0338)K99.CG as missing WARNING: atoms too close: (T0338)Q90.CG and (T0338)K99.CG only 0.000 apart, marking (T0338)K99.CG as missing WARNING: atoms too close: (T0338)I98.O and (T0338)K99.O only 0.000 apart, marking (T0338)K99.O as missing WARNING: atoms too close: (T0338)V97.O and (T0338)K99.O only 0.000 apart, marking (T0338)K99.O as missing WARNING: atoms too close: (T0338)H96.O and (T0338)K99.O only 0.000 apart, marking (T0338)K99.O as missing WARNING: atoms too close: (T0338)E95.O and (T0338)K99.O only 0.000 apart, marking (T0338)K99.O as missing WARNING: atoms too close: (T0338)L94.O and (T0338)K99.O only 0.000 apart, marking (T0338)K99.O as missing WARNING: atoms too close: (T0338)K93.O and (T0338)K99.O only 0.000 apart, marking (T0338)K99.O as missing WARNING: atoms too close: (T0338)R92.O and (T0338)K99.O only 0.000 apart, marking (T0338)K99.O as missing WARNING: atoms too close: (T0338)A91.O and (T0338)K99.O only 0.000 apart, marking (T0338)K99.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)K99.O only 0.000 apart, marking (T0338)K99.O as missing WARNING: atoms too close: (T0338)I98.C and (T0338)K99.C only 0.000 apart, marking (T0338)K99.C as missing WARNING: atoms too close: (T0338)V97.C and (T0338)K99.C only 0.000 apart, marking (T0338)K99.C as missing WARNING: atoms too close: (T0338)H96.C and (T0338)K99.C only 0.000 apart, marking (T0338)K99.C as missing WARNING: atoms too close: (T0338)E95.C and (T0338)K99.C only 0.000 apart, marking (T0338)K99.C as missing WARNING: atoms too close: (T0338)L94.C and (T0338)K99.C only 0.000 apart, marking (T0338)K99.C as missing WARNING: atoms too close: (T0338)K93.C and (T0338)K99.C only 0.000 apart, marking (T0338)K99.C as missing WARNING: atoms too close: (T0338)R92.C and (T0338)K99.C only 0.000 apart, marking (T0338)K99.C as missing WARNING: atoms too close: (T0338)A91.C and (T0338)K99.C only 0.000 apart, marking (T0338)K99.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)K99.C only 0.000 apart, marking (T0338)K99.C as missing WARNING: atoms too close: (T0338)K99.N and (T0338)V100.N only 0.000 apart, marking (T0338)K99.N as missing WARNING: atoms too close: (T0338)I98.N and (T0338)V100.N only 0.000 apart, marking (T0338)I98.N as missing WARNING: atoms too close: (T0338)V97.N and (T0338)V100.N only 0.000 apart, marking (T0338)V97.N as missing WARNING: atoms too close: (T0338)H96.N and (T0338)V100.N only 0.000 apart, marking (T0338)H96.N as missing WARNING: atoms too close: (T0338)E95.N and (T0338)V100.N only 0.000 apart, marking (T0338)E95.N as missing WARNING: atoms too close: (T0338)L94.N and (T0338)V100.N only 0.000 apart, marking (T0338)L94.N as missing WARNING: atoms too close: (T0338)K93.N and (T0338)V100.N only 0.000 apart, marking (T0338)K93.N as missing WARNING: atoms too close: (T0338)R92.N and (T0338)V100.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.N and (T0338)V100.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)V100.N only 0.000 apart, marking (T0338)V100.N as missing WARNING: atoms too close: (T0338)K99.CA and (T0338)V100.CA only 0.000 apart, marking (T0338)V100.CA as missing WARNING: atoms too close: (T0338)I98.CA and (T0338)V100.CA only 0.000 apart, marking (T0338)V100.CA as missing WARNING: atoms too close: (T0338)V97.CA and (T0338)V100.CA only 0.000 apart, marking (T0338)V100.CA as missing WARNING: atoms too close: (T0338)H96.CA and (T0338)V100.CA only 0.000 apart, marking (T0338)V100.CA as missing WARNING: atoms too close: (T0338)E95.CA and (T0338)V100.CA only 0.000 apart, marking (T0338)V100.CA as missing WARNING: atoms too close: (T0338)L94.CA and (T0338)V100.CA only 0.000 apart, marking (T0338)V100.CA as missing WARNING: atoms too close: (T0338)K93.CA and (T0338)V100.CA only 0.000 apart, marking (T0338)V100.CA as missing WARNING: atoms too close: (T0338)R92.CA and (T0338)V100.CA only 0.000 apart, marking (T0338)V100.CA as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)V100.CA only 0.000 apart, marking (T0338)V100.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)V100.CA only 0.000 apart, marking (T0338)V100.CA as missing WARNING: atoms too close: (T0338)K99.CB and (T0338)V100.CB only 0.000 apart, marking (T0338)V100.CB as missing WARNING: atoms too close: (T0338)I98.CB and (T0338)V100.CB only 0.000 apart, marking (T0338)V100.CB as missing WARNING: atoms too close: (T0338)V97.CB and (T0338)V100.CB only 0.000 apart, marking (T0338)V100.CB as missing WARNING: atoms too close: (T0338)H96.CB and (T0338)V100.CB only 0.000 apart, marking (T0338)V100.CB as missing WARNING: atoms too close: (T0338)E95.CB and (T0338)V100.CB only 0.000 apart, marking (T0338)V100.CB as missing WARNING: atoms too close: (T0338)L94.CB and (T0338)V100.CB only 0.000 apart, marking (T0338)V100.CB as missing WARNING: atoms too close: (T0338)K93.CB and (T0338)V100.CB only 0.000 apart, marking (T0338)V100.CB as missing WARNING: atoms too close: (T0338)R92.CB and (T0338)V100.CB only 0.000 apart, marking (T0338)V100.CB as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)V100.CB only 0.000 apart, marking (T0338)V100.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)V100.CB only 0.000 apart, marking (T0338)V100.CB as missing WARNING: atoms too close: (T0338)K99.CG and (T0338)V100.CG1 only 0.000 apart, marking (T0338)V100.CG1 as missing WARNING: atoms too close: (T0338)I98.CG1 and (T0338)V100.CG1 only 0.000 apart, marking (T0338)V100.CG1 as missing WARNING: atoms too close: (T0338)V97.CG1 and (T0338)V100.CG1 only 0.000 apart, marking (T0338)V100.CG1 as missing WARNING: atoms too close: (T0338)H96.CG and (T0338)V100.CG1 only 0.000 apart, marking (T0338)V100.CG1 as missing WARNING: atoms too close: (T0338)E95.CG and (T0338)V100.CG1 only 0.000 apart, marking (T0338)V100.CG1 as missing WARNING: atoms too close: (T0338)L94.CG and (T0338)V100.CG1 only 0.000 apart, marking (T0338)V100.CG1 as missing WARNING: atoms too close: (T0338)K93.CG and (T0338)V100.CG1 only 0.000 apart, marking (T0338)V100.CG1 as missing WARNING: atoms too close: (T0338)R92.CG and (T0338)V100.CG1 only 0.000 apart, marking (T0338)V100.CG1 as missing WARNING: atoms too close: (T0338)Q90.CG and (T0338)V100.CG1 only 0.000 apart, marking (T0338)V100.CG1 as missing WARNING: atoms too close: (T0338)K99.O and (T0338)V100.O only 0.000 apart, marking (T0338)V100.O as missing WARNING: atoms too close: (T0338)I98.O and (T0338)V100.O only 0.000 apart, marking (T0338)V100.O as missing WARNING: atoms too close: (T0338)V97.O and (T0338)V100.O only 0.000 apart, marking (T0338)V100.O as missing WARNING: atoms too close: (T0338)H96.O and (T0338)V100.O only 0.000 apart, marking (T0338)V100.O as missing WARNING: atoms too close: (T0338)E95.O and (T0338)V100.O only 0.000 apart, marking (T0338)V100.O as missing WARNING: atoms too close: (T0338)L94.O and (T0338)V100.O only 0.000 apart, marking (T0338)V100.O as missing WARNING: atoms too close: (T0338)K93.O and (T0338)V100.O only 0.000 apart, marking (T0338)V100.O as missing WARNING: atoms too close: (T0338)R92.O and (T0338)V100.O only 0.000 apart, marking (T0338)V100.O as missing WARNING: atoms too close: (T0338)A91.O and (T0338)V100.O only 0.000 apart, marking (T0338)V100.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)V100.O only 0.000 apart, marking (T0338)V100.O as missing WARNING: atoms too close: (T0338)K99.C and (T0338)V100.C only 0.000 apart, marking (T0338)V100.C as missing WARNING: atoms too close: (T0338)I98.C and (T0338)V100.C only 0.000 apart, marking (T0338)V100.C as missing WARNING: atoms too close: (T0338)V97.C and (T0338)V100.C only 0.000 apart, marking (T0338)V100.C as missing WARNING: atoms too close: (T0338)H96.C and (T0338)V100.C only 0.000 apart, marking (T0338)V100.C as missing WARNING: atoms too close: (T0338)E95.C and (T0338)V100.C only 0.000 apart, marking (T0338)V100.C as missing WARNING: atoms too close: (T0338)L94.C and (T0338)V100.C only 0.000 apart, marking (T0338)V100.C as missing WARNING: atoms too close: (T0338)K93.C and (T0338)V100.C only 0.000 apart, marking (T0338)V100.C as missing WARNING: atoms too close: (T0338)R92.C and (T0338)V100.C only 0.000 apart, marking (T0338)V100.C as missing WARNING: atoms too close: (T0338)A91.C and (T0338)V100.C only 0.000 apart, marking (T0338)V100.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)V100.C only 0.000 apart, marking (T0338)V100.C as missing WARNING: atoms too close: (T0338)V100.N and (T0338)A101.N only 0.000 apart, marking (T0338)V100.N as missing WARNING: atoms too close: (T0338)K99.N and (T0338)A101.N only 0.000 apart, marking (T0338)K99.N as missing WARNING: atoms too close: (T0338)I98.N and (T0338)A101.N only 0.000 apart, marking (T0338)I98.N as missing WARNING: atoms too close: (T0338)V97.N and (T0338)A101.N only 0.000 apart, marking (T0338)V97.N as missing WARNING: atoms too close: (T0338)H96.N and (T0338)A101.N only 0.000 apart, marking (T0338)H96.N as missing WARNING: atoms too close: (T0338)E95.N and (T0338)A101.N only 0.000 apart, marking (T0338)E95.N as missing WARNING: atoms too close: (T0338)L94.N and (T0338)A101.N only 0.000 apart, marking (T0338)L94.N as missing WARNING: atoms too close: (T0338)K93.N and (T0338)A101.N only 0.000 apart, marking (T0338)K93.N as missing WARNING: atoms too close: (T0338)R92.N and (T0338)A101.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.N and (T0338)A101.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)A101.N only 0.000 apart, marking (T0338)A101.N as missing WARNING: atoms too close: (T0338)V100.CA and (T0338)A101.CA only 0.000 apart, marking (T0338)A101.CA as missing WARNING: atoms too close: (T0338)K99.CA and (T0338)A101.CA only 0.000 apart, marking (T0338)A101.CA as missing WARNING: atoms too close: (T0338)I98.CA and (T0338)A101.CA only 0.000 apart, marking (T0338)A101.CA as missing WARNING: atoms too close: (T0338)V97.CA and (T0338)A101.CA only 0.000 apart, marking (T0338)A101.CA as missing WARNING: atoms too close: (T0338)H96.CA and (T0338)A101.CA only 0.000 apart, marking (T0338)A101.CA as missing WARNING: atoms too close: (T0338)E95.CA and (T0338)A101.CA only 0.000 apart, marking (T0338)A101.CA as missing WARNING: atoms too close: (T0338)L94.CA and (T0338)A101.CA only 0.000 apart, marking (T0338)A101.CA as missing WARNING: atoms too close: (T0338)K93.CA and (T0338)A101.CA only 0.000 apart, marking (T0338)A101.CA as missing WARNING: atoms too close: (T0338)R92.CA and (T0338)A101.CA only 0.000 apart, marking (T0338)A101.CA as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)A101.CA only 0.000 apart, marking (T0338)A101.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)A101.CA only 0.000 apart, marking (T0338)A101.CA as missing WARNING: atoms too close: (T0338)V100.CB and (T0338)A101.CB only 0.000 apart, marking (T0338)A101.CB as missing WARNING: atoms too close: (T0338)K99.CB and (T0338)A101.CB only 0.000 apart, marking (T0338)A101.CB as missing WARNING: atoms too close: (T0338)I98.CB and (T0338)A101.CB only 0.000 apart, marking (T0338)A101.CB as missing WARNING: atoms too close: (T0338)V97.CB and (T0338)A101.CB only 0.000 apart, marking (T0338)A101.CB as missing WARNING: atoms too close: (T0338)H96.CB and (T0338)A101.CB only 0.000 apart, marking (T0338)A101.CB as missing WARNING: atoms too close: (T0338)E95.CB and (T0338)A101.CB only 0.000 apart, marking (T0338)A101.CB as missing WARNING: atoms too close: (T0338)L94.CB and (T0338)A101.CB only 0.000 apart, marking (T0338)A101.CB as missing WARNING: atoms too close: (T0338)K93.CB and (T0338)A101.CB only 0.000 apart, marking (T0338)A101.CB as missing WARNING: atoms too close: (T0338)R92.CB and (T0338)A101.CB only 0.000 apart, marking (T0338)A101.CB as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)A101.CB only 0.000 apart, marking (T0338)A101.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)A101.CB only 0.000 apart, marking (T0338)A101.CB as missing WARNING: atoms too close: (T0338)V100.O and (T0338)A101.O only 0.000 apart, marking (T0338)A101.O as missing WARNING: atoms too close: (T0338)K99.O and (T0338)A101.O only 0.000 apart, marking (T0338)A101.O as missing WARNING: atoms too close: (T0338)I98.O and (T0338)A101.O only 0.000 apart, marking (T0338)A101.O as missing WARNING: atoms too close: (T0338)V97.O and (T0338)A101.O only 0.000 apart, marking (T0338)A101.O as missing WARNING: atoms too close: (T0338)H96.O and (T0338)A101.O only 0.000 apart, marking (T0338)A101.O as missing WARNING: atoms too close: (T0338)E95.O and (T0338)A101.O only 0.000 apart, marking (T0338)A101.O as missing WARNING: atoms too close: (T0338)L94.O and (T0338)A101.O only 0.000 apart, marking (T0338)A101.O as missing WARNING: atoms too close: (T0338)K93.O and (T0338)A101.O only 0.000 apart, marking (T0338)A101.O as missing WARNING: atoms too close: (T0338)R92.O and (T0338)A101.O only 0.000 apart, marking (T0338)A101.O as missing WARNING: atoms too close: (T0338)A91.O and (T0338)A101.O only 0.000 apart, marking (T0338)A101.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)A101.O only 0.000 apart, marking (T0338)A101.O as missing WARNING: atoms too close: (T0338)V100.C and (T0338)A101.C only 0.000 apart, marking (T0338)A101.C as missing WARNING: atoms too close: (T0338)K99.C and (T0338)A101.C only 0.000 apart, marking (T0338)A101.C as missing WARNING: atoms too close: (T0338)I98.C and (T0338)A101.C only 0.000 apart, marking (T0338)A101.C as missing WARNING: atoms too close: (T0338)V97.C and (T0338)A101.C only 0.000 apart, marking (T0338)A101.C as missing WARNING: atoms too close: (T0338)H96.C and (T0338)A101.C only 0.000 apart, marking (T0338)A101.C as missing WARNING: atoms too close: (T0338)E95.C and (T0338)A101.C only 0.000 apart, marking (T0338)A101.C as missing WARNING: atoms too close: (T0338)L94.C and (T0338)A101.C only 0.000 apart, marking (T0338)A101.C as missing WARNING: atoms too close: (T0338)K93.C and (T0338)A101.C only 0.000 apart, marking (T0338)A101.C as missing WARNING: atoms too close: (T0338)R92.C and (T0338)A101.C only 0.000 apart, marking (T0338)A101.C as missing WARNING: atoms too close: (T0338)A91.C and (T0338)A101.C only 0.000 apart, marking (T0338)A101.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)A101.C only 0.000 apart, marking (T0338)A101.C as missing WARNING: atoms too close: (T0338)A101.N and (T0338)H102.N only 0.000 apart, marking (T0338)A101.N as missing WARNING: atoms too close: (T0338)V100.N and (T0338)H102.N only 0.000 apart, marking (T0338)V100.N as missing WARNING: atoms too close: (T0338)K99.N and (T0338)H102.N only 0.000 apart, marking (T0338)K99.N as missing WARNING: atoms too close: (T0338)I98.N and (T0338)H102.N only 0.000 apart, marking (T0338)I98.N as missing WARNING: atoms too close: (T0338)V97.N and (T0338)H102.N only 0.000 apart, marking (T0338)V97.N as missing WARNING: atoms too close: (T0338)H96.N and (T0338)H102.N only 0.000 apart, marking (T0338)H96.N as missing WARNING: atoms too close: (T0338)E95.N and (T0338)H102.N only 0.000 apart, marking (T0338)E95.N as missing WARNING: atoms too close: (T0338)L94.N and (T0338)H102.N only 0.000 apart, marking (T0338)L94.N as missing WARNING: atoms too close: (T0338)K93.N and (T0338)H102.N only 0.000 apart, marking (T0338)K93.N as missing WARNING: atoms too close: (T0338)R92.N and (T0338)H102.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.N and (T0338)H102.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)H102.N only 0.000 apart, marking (T0338)H102.N as missing WARNING: atoms too close: (T0338)A101.CA and (T0338)H102.CA only 0.000 apart, marking (T0338)H102.CA as missing WARNING: atoms too close: (T0338)V100.CA and (T0338)H102.CA only 0.000 apart, marking (T0338)H102.CA as missing WARNING: atoms too close: (T0338)K99.CA and (T0338)H102.CA only 0.000 apart, marking (T0338)H102.CA as missing WARNING: atoms too close: (T0338)I98.CA and (T0338)H102.CA only 0.000 apart, marking (T0338)H102.CA as missing WARNING: atoms too close: (T0338)V97.CA and (T0338)H102.CA only 0.000 apart, marking (T0338)H102.CA as missing WARNING: atoms too close: (T0338)H96.CA and (T0338)H102.CA only 0.000 apart, marking (T0338)H102.CA as missing WARNING: atoms too close: (T0338)E95.CA and (T0338)H102.CA only 0.000 apart, marking (T0338)H102.CA as missing WARNING: atoms too close: (T0338)L94.CA and (T0338)H102.CA only 0.000 apart, marking (T0338)H102.CA as missing WARNING: atoms too close: (T0338)K93.CA and (T0338)H102.CA only 0.000 apart, marking (T0338)H102.CA as missing WARNING: atoms too close: (T0338)R92.CA and (T0338)H102.CA only 0.000 apart, marking (T0338)H102.CA as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)H102.CA only 0.000 apart, marking (T0338)H102.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)H102.CA only 0.000 apart, marking (T0338)H102.CA as missing WARNING: atoms too close: (T0338)A101.CB and (T0338)H102.CB only 0.000 apart, marking (T0338)H102.CB as missing WARNING: atoms too close: (T0338)V100.CB and (T0338)H102.CB only 0.000 apart, marking (T0338)H102.CB as missing WARNING: atoms too close: (T0338)K99.CB and (T0338)H102.CB only 0.000 apart, marking (T0338)H102.CB as missing WARNING: atoms too close: (T0338)I98.CB and (T0338)H102.CB only 0.000 apart, marking (T0338)H102.CB as missing WARNING: atoms too close: (T0338)V97.CB and (T0338)H102.CB only 0.000 apart, marking (T0338)H102.CB as missing WARNING: atoms too close: (T0338)H96.CB and (T0338)H102.CB only 0.000 apart, marking (T0338)H102.CB as missing WARNING: atoms too close: (T0338)E95.CB and (T0338)H102.CB only 0.000 apart, marking (T0338)H102.CB as missing WARNING: atoms too close: (T0338)L94.CB and (T0338)H102.CB only 0.000 apart, marking (T0338)H102.CB as missing WARNING: atoms too close: (T0338)K93.CB and (T0338)H102.CB only 0.000 apart, marking (T0338)H102.CB as missing WARNING: atoms too close: (T0338)R92.CB and (T0338)H102.CB only 0.000 apart, marking (T0338)H102.CB as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)H102.CB only 0.000 apart, marking (T0338)H102.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)H102.CB only 0.000 apart, marking (T0338)H102.CB as missing WARNING: atoms too close: (T0338)V100.CG1 and (T0338)H102.CG only 0.000 apart, marking (T0338)H102.CG as missing WARNING: atoms too close: (T0338)K99.CG and (T0338)H102.CG only 0.000 apart, marking (T0338)H102.CG as missing WARNING: atoms too close: (T0338)I98.CG1 and (T0338)H102.CG only 0.000 apart, marking (T0338)H102.CG as missing WARNING: atoms too close: (T0338)V97.CG1 and (T0338)H102.CG only 0.000 apart, marking (T0338)H102.CG as missing WARNING: atoms too close: (T0338)H96.CG and (T0338)H102.CG only 0.000 apart, marking (T0338)H102.CG as missing WARNING: atoms too close: (T0338)E95.CG and (T0338)H102.CG only 0.000 apart, marking (T0338)H102.CG as missing WARNING: atoms too close: (T0338)L94.CG and (T0338)H102.CG only 0.000 apart, marking (T0338)H102.CG as missing WARNING: atoms too close: (T0338)K93.CG and (T0338)H102.CG only 0.000 apart, marking (T0338)H102.CG as missing WARNING: atoms too close: (T0338)R92.CG and (T0338)H102.CG only 0.000 apart, marking (T0338)H102.CG as missing WARNING: atoms too close: (T0338)Q90.CG and (T0338)H102.CG only 0.000 apart, marking (T0338)H102.CG as missing WARNING: atoms too close: (T0338)A101.O and (T0338)H102.O only 0.000 apart, marking (T0338)H102.O as missing WARNING: atoms too close: (T0338)V100.O and (T0338)H102.O only 0.000 apart, marking (T0338)H102.O as missing WARNING: atoms too close: (T0338)K99.O and (T0338)H102.O only 0.000 apart, marking (T0338)H102.O as missing WARNING: atoms too close: (T0338)I98.O and (T0338)H102.O only 0.000 apart, marking (T0338)H102.O as missing WARNING: atoms too close: (T0338)V97.O and (T0338)H102.O only 0.000 apart, marking (T0338)H102.O as missing WARNING: atoms too close: (T0338)H96.O and (T0338)H102.O only 0.000 apart, marking (T0338)H102.O as missing WARNING: atoms too close: (T0338)E95.O and (T0338)H102.O only 0.000 apart, marking (T0338)H102.O as missing WARNING: atoms too close: (T0338)L94.O and (T0338)H102.O only 0.000 apart, marking (T0338)H102.O as missing WARNING: atoms too close: (T0338)K93.O and (T0338)H102.O only 0.000 apart, marking (T0338)H102.O as missing WARNING: atoms too close: (T0338)R92.O and (T0338)H102.O only 0.000 apart, marking (T0338)H102.O as missing WARNING: atoms too close: (T0338)A91.O and (T0338)H102.O only 0.000 apart, marking (T0338)H102.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)H102.O only 0.000 apart, marking (T0338)H102.O as missing WARNING: atoms too close: (T0338)A101.C and (T0338)H102.C only 0.000 apart, marking (T0338)H102.C as missing WARNING: atoms too close: (T0338)V100.C and (T0338)H102.C only 0.000 apart, marking (T0338)H102.C as missing WARNING: atoms too close: (T0338)K99.C and (T0338)H102.C only 0.000 apart, marking (T0338)H102.C as missing WARNING: atoms too close: (T0338)I98.C and (T0338)H102.C only 0.000 apart, marking (T0338)H102.C as missing WARNING: atoms too close: (T0338)V97.C and (T0338)H102.C only 0.000 apart, marking (T0338)H102.C as missing WARNING: atoms too close: (T0338)H96.C and (T0338)H102.C only 0.000 apart, marking (T0338)H102.C as missing WARNING: atoms too close: (T0338)E95.C and (T0338)H102.C only 0.000 apart, marking (T0338)H102.C as missing WARNING: atoms too close: (T0338)L94.C and (T0338)H102.C only 0.000 apart, marking (T0338)H102.C as missing WARNING: atoms too close: (T0338)K93.C and (T0338)H102.C only 0.000 apart, marking (T0338)H102.C as missing WARNING: atoms too close: (T0338)R92.C and (T0338)H102.C only 0.000 apart, marking (T0338)H102.C as missing WARNING: atoms too close: (T0338)A91.C and (T0338)H102.C only 0.000 apart, marking (T0338)H102.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)H102.C only 0.000 apart, marking (T0338)H102.C as missing WARNING: atoms too close: (T0338)H102.N and (T0338)A103.N only 0.000 apart, marking (T0338)H102.N as missing WARNING: atoms too close: (T0338)A101.N and (T0338)A103.N only 0.000 apart, marking (T0338)A101.N as missing WARNING: atoms too close: (T0338)V100.N and (T0338)A103.N only 0.000 apart, marking (T0338)V100.N as missing WARNING: atoms too close: (T0338)K99.N and (T0338)A103.N only 0.000 apart, marking (T0338)K99.N as missing WARNING: atoms too close: (T0338)I98.N and (T0338)A103.N only 0.000 apart, marking (T0338)I98.N as missing WARNING: atoms too close: (T0338)V97.N and (T0338)A103.N only 0.000 apart, marking (T0338)V97.N as missing WARNING: atoms too close: (T0338)H96.N and (T0338)A103.N only 0.000 apart, marking (T0338)H96.N as missing WARNING: atoms too close: (T0338)E95.N and (T0338)A103.N only 0.000 apart, marking (T0338)E95.N as missing WARNING: atoms too close: (T0338)L94.N and (T0338)A103.N only 0.000 apart, marking (T0338)L94.N as missing WARNING: atoms too close: (T0338)K93.N and (T0338)A103.N only 0.000 apart, marking (T0338)K93.N as missing WARNING: atoms too close: (T0338)R92.N and (T0338)A103.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.N and (T0338)A103.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)A103.N only 0.000 apart, marking (T0338)A103.N as missing WARNING: atoms too close: (T0338)H102.CA and (T0338)A103.CA only 0.000 apart, marking (T0338)A103.CA as missing WARNING: atoms too close: (T0338)A101.CA and (T0338)A103.CA only 0.000 apart, marking (T0338)A103.CA as missing WARNING: atoms too close: (T0338)V100.CA and (T0338)A103.CA only 0.000 apart, marking (T0338)A103.CA as missing WARNING: atoms too close: (T0338)K99.CA and (T0338)A103.CA only 0.000 apart, marking (T0338)A103.CA as missing WARNING: atoms too close: (T0338)I98.CA and (T0338)A103.CA only 0.000 apart, marking (T0338)A103.CA as missing WARNING: atoms too close: (T0338)V97.CA and (T0338)A103.CA only 0.000 apart, marking (T0338)A103.CA as missing WARNING: atoms too close: (T0338)H96.CA and (T0338)A103.CA only 0.000 apart, marking (T0338)A103.CA as missing WARNING: atoms too close: (T0338)E95.CA and (T0338)A103.CA only 0.000 apart, marking (T0338)A103.CA as missing WARNING: atoms too close: (T0338)L94.CA and (T0338)A103.CA only 0.000 apart, marking (T0338)A103.CA as missing WARNING: atoms too close: (T0338)K93.CA and (T0338)A103.CA only 0.000 apart, marking (T0338)A103.CA as missing WARNING: atoms too close: (T0338)R92.CA and (T0338)A103.CA only 0.000 apart, marking (T0338)A103.CA as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)A103.CA only 0.000 apart, marking (T0338)A103.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)A103.CA only 0.000 apart, marking (T0338)A103.CA as missing WARNING: atoms too close: (T0338)H102.CB and (T0338)A103.CB only 0.000 apart, marking (T0338)A103.CB as missing WARNING: atoms too close: (T0338)A101.CB and (T0338)A103.CB only 0.000 apart, marking (T0338)A103.CB as missing WARNING: atoms too close: (T0338)V100.CB and (T0338)A103.CB only 0.000 apart, marking (T0338)A103.CB as missing WARNING: atoms too close: (T0338)K99.CB and (T0338)A103.CB only 0.000 apart, marking (T0338)A103.CB as missing WARNING: atoms too close: (T0338)I98.CB and (T0338)A103.CB only 0.000 apart, marking (T0338)A103.CB as missing WARNING: atoms too close: (T0338)V97.CB and (T0338)A103.CB only 0.000 apart, marking (T0338)A103.CB as missing WARNING: atoms too close: (T0338)H96.CB and (T0338)A103.CB only 0.000 apart, marking (T0338)A103.CB as missing WARNING: atoms too close: (T0338)E95.CB and (T0338)A103.CB only 0.000 apart, marking (T0338)A103.CB as missing WARNING: atoms too close: (T0338)L94.CB and (T0338)A103.CB only 0.000 apart, marking (T0338)A103.CB as missing WARNING: atoms too close: (T0338)K93.CB and (T0338)A103.CB only 0.000 apart, marking (T0338)A103.CB as missing WARNING: atoms too close: (T0338)R92.CB and (T0338)A103.CB only 0.000 apart, marking (T0338)A103.CB as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)A103.CB only 0.000 apart, marking (T0338)A103.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)A103.CB only 0.000 apart, marking (T0338)A103.CB as missing WARNING: atoms too close: (T0338)H102.O and (T0338)A103.O only 0.000 apart, marking (T0338)A103.O as missing WARNING: atoms too close: (T0338)A101.O and (T0338)A103.O only 0.000 apart, marking (T0338)A103.O as missing WARNING: atoms too close: (T0338)V100.O and (T0338)A103.O only 0.000 apart, marking (T0338)A103.O as missing WARNING: atoms too close: (T0338)K99.O and (T0338)A103.O only 0.000 apart, marking (T0338)A103.O as missing WARNING: atoms too close: (T0338)I98.O and (T0338)A103.O only 0.000 apart, marking (T0338)A103.O as missing WARNING: atoms too close: (T0338)V97.O and (T0338)A103.O only 0.000 apart, marking (T0338)A103.O as missing WARNING: atoms too close: (T0338)H96.O and (T0338)A103.O only 0.000 apart, marking (T0338)A103.O as missing WARNING: atoms too close: (T0338)E95.O and (T0338)A103.O only 0.000 apart, marking (T0338)A103.O as missing WARNING: atoms too close: (T0338)L94.O and (T0338)A103.O only 0.000 apart, marking (T0338)A103.O as missing WARNING: atoms too close: (T0338)K93.O and (T0338)A103.O only 0.000 apart, marking (T0338)A103.O as missing WARNING: atoms too close: (T0338)R92.O and (T0338)A103.O only 0.000 apart, marking (T0338)A103.O as missing WARNING: atoms too close: (T0338)A91.O and (T0338)A103.O only 0.000 apart, marking (T0338)A103.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)A103.O only 0.000 apart, marking (T0338)A103.O as missing WARNING: atoms too close: (T0338)H102.C and (T0338)A103.C only 0.000 apart, marking (T0338)A103.C as missing WARNING: atoms too close: (T0338)A101.C and (T0338)A103.C only 0.000 apart, marking (T0338)A103.C as missing WARNING: atoms too close: (T0338)V100.C and (T0338)A103.C only 0.000 apart, marking (T0338)A103.C as missing WARNING: atoms too close: (T0338)K99.C and (T0338)A103.C only 0.000 apart, marking (T0338)A103.C as missing WARNING: atoms too close: (T0338)I98.C and (T0338)A103.C only 0.000 apart, marking (T0338)A103.C as missing WARNING: atoms too close: (T0338)V97.C and (T0338)A103.C only 0.000 apart, marking (T0338)A103.C as missing WARNING: atoms too close: (T0338)H96.C and (T0338)A103.C only 0.000 apart, marking (T0338)A103.C as missing WARNING: atoms too close: (T0338)E95.C and (T0338)A103.C only 0.000 apart, marking (T0338)A103.C as missing WARNING: atoms too close: (T0338)L94.C and (T0338)A103.C only 0.000 apart, marking (T0338)A103.C as missing WARNING: atoms too close: (T0338)K93.C and (T0338)A103.C only 0.000 apart, marking (T0338)A103.C as missing WARNING: atoms too close: (T0338)R92.C and (T0338)A103.C only 0.000 apart, marking (T0338)A103.C as missing WARNING: atoms too close: (T0338)A91.C and (T0338)A103.C only 0.000 apart, marking (T0338)A103.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)A103.C only 0.000 apart, marking (T0338)A103.C as missing WARNING: atoms too close: (T0338)A103.N and (T0338)C104.N only 0.000 apart, marking (T0338)A103.N as missing WARNING: atoms too close: (T0338)H102.N and (T0338)C104.N only 0.000 apart, marking (T0338)H102.N as missing WARNING: atoms too close: (T0338)A101.N and (T0338)C104.N only 0.000 apart, marking (T0338)A101.N as missing WARNING: atoms too close: (T0338)V100.N and (T0338)C104.N only 0.000 apart, marking (T0338)V100.N as missing WARNING: atoms too close: (T0338)K99.N and (T0338)C104.N only 0.000 apart, marking (T0338)K99.N as missing WARNING: atoms too close: (T0338)I98.N and (T0338)C104.N only 0.000 apart, marking (T0338)I98.N as missing WARNING: atoms too close: (T0338)V97.N and (T0338)C104.N only 0.000 apart, marking (T0338)V97.N as missing WARNING: atoms too close: (T0338)H96.N and (T0338)C104.N only 0.000 apart, marking (T0338)H96.N as missing WARNING: atoms too close: (T0338)E95.N and (T0338)C104.N only 0.000 apart, marking (T0338)E95.N as missing WARNING: atoms too close: (T0338)L94.N and (T0338)C104.N only 0.000 apart, marking (T0338)L94.N as missing WARNING: atoms too close: (T0338)K93.N and (T0338)C104.N only 0.000 apart, marking (T0338)K93.N as missing WARNING: atoms too close: (T0338)R92.N and (T0338)C104.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.N and (T0338)C104.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)C104.N only 0.000 apart, marking (T0338)C104.N as missing WARNING: atoms too close: (T0338)A103.CA and (T0338)C104.CA only 0.000 apart, marking (T0338)C104.CA as missing WARNING: atoms too close: (T0338)H102.CA and (T0338)C104.CA only 0.000 apart, marking (T0338)C104.CA as missing WARNING: atoms too close: (T0338)A101.CA and (T0338)C104.CA only 0.000 apart, marking (T0338)C104.CA as missing WARNING: atoms too close: (T0338)V100.CA and (T0338)C104.CA only 0.000 apart, marking (T0338)C104.CA as missing WARNING: atoms too close: (T0338)K99.CA and (T0338)C104.CA only 0.000 apart, marking (T0338)C104.CA as missing WARNING: atoms too close: (T0338)I98.CA and (T0338)C104.CA only 0.000 apart, marking (T0338)C104.CA as missing WARNING: atoms too close: (T0338)V97.CA and (T0338)C104.CA only 0.000 apart, marking (T0338)C104.CA as missing WARNING: atoms too close: (T0338)H96.CA and (T0338)C104.CA only 0.000 apart, marking (T0338)C104.CA as missing WARNING: atoms too close: (T0338)E95.CA and (T0338)C104.CA only 0.000 apart, marking (T0338)C104.CA as missing WARNING: atoms too close: (T0338)L94.CA and (T0338)C104.CA only 0.000 apart, marking (T0338)C104.CA as missing WARNING: atoms too close: (T0338)K93.CA and (T0338)C104.CA only 0.000 apart, marking (T0338)C104.CA as missing WARNING: atoms too close: (T0338)R92.CA and (T0338)C104.CA only 0.000 apart, marking (T0338)C104.CA as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)C104.CA only 0.000 apart, marking (T0338)C104.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)C104.CA only 0.000 apart, marking (T0338)C104.CA as missing WARNING: atoms too close: (T0338)A103.CB and (T0338)C104.CB only 0.000 apart, marking (T0338)C104.CB as missing WARNING: atoms too close: (T0338)H102.CB and (T0338)C104.CB only 0.000 apart, marking (T0338)C104.CB as missing WARNING: atoms too close: (T0338)A101.CB and (T0338)C104.CB only 0.000 apart, marking (T0338)C104.CB as missing WARNING: atoms too close: (T0338)V100.CB and (T0338)C104.CB only 0.000 apart, marking (T0338)C104.CB as missing WARNING: atoms too close: (T0338)K99.CB and (T0338)C104.CB only 0.000 apart, marking (T0338)C104.CB as missing WARNING: atoms too close: (T0338)I98.CB and (T0338)C104.CB only 0.000 apart, marking (T0338)C104.CB as missing WARNING: atoms too close: (T0338)V97.CB and (T0338)C104.CB only 0.000 apart, marking (T0338)C104.CB as missing WARNING: atoms too close: (T0338)H96.CB and (T0338)C104.CB only 0.000 apart, marking (T0338)C104.CB as missing WARNING: atoms too close: (T0338)E95.CB and (T0338)C104.CB only 0.000 apart, marking (T0338)C104.CB as missing WARNING: atoms too close: (T0338)L94.CB and (T0338)C104.CB only 0.000 apart, marking (T0338)C104.CB as missing WARNING: atoms too close: (T0338)K93.CB and (T0338)C104.CB only 0.000 apart, marking (T0338)C104.CB as missing WARNING: atoms too close: (T0338)R92.CB and (T0338)C104.CB only 0.000 apart, marking (T0338)C104.CB as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)C104.CB only 0.000 apart, marking (T0338)C104.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)C104.CB only 0.000 apart, marking (T0338)C104.CB as missing WARNING: atoms too close: (T0338)A103.O and (T0338)C104.O only 0.000 apart, marking (T0338)C104.O as missing WARNING: atoms too close: (T0338)H102.O and (T0338)C104.O only 0.000 apart, marking (T0338)C104.O as missing WARNING: atoms too close: (T0338)A101.O and (T0338)C104.O only 0.000 apart, marking (T0338)C104.O as missing WARNING: atoms too close: (T0338)V100.O and (T0338)C104.O only 0.000 apart, marking (T0338)C104.O as missing WARNING: atoms too close: (T0338)K99.O and (T0338)C104.O only 0.000 apart, marking (T0338)C104.O as missing WARNING: atoms too close: (T0338)I98.O and (T0338)C104.O only 0.000 apart, marking (T0338)C104.O as missing WARNING: atoms too close: (T0338)V97.O and (T0338)C104.O only 0.000 apart, marking (T0338)C104.O as missing WARNING: atoms too close: (T0338)H96.O and (T0338)C104.O only 0.000 apart, marking (T0338)C104.O as missing WARNING: atoms too close: (T0338)E95.O and (T0338)C104.O only 0.000 apart, marking (T0338)C104.O as missing WARNING: atoms too close: (T0338)L94.O and (T0338)C104.O only 0.000 apart, marking (T0338)C104.O as missing WARNING: atoms too close: (T0338)K93.O and (T0338)C104.O only 0.000 apart, marking (T0338)C104.O as missing WARNING: atoms too close: (T0338)R92.O and (T0338)C104.O only 0.000 apart, marking (T0338)C104.O as missing WARNING: atoms too close: (T0338)A91.O and (T0338)C104.O only 0.000 apart, marking (T0338)C104.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)C104.O only 0.000 apart, marking (T0338)C104.O as missing WARNING: atoms too close: (T0338)A103.C and (T0338)C104.C only 0.000 apart, marking (T0338)C104.C as missing WARNING: atoms too close: (T0338)H102.C and (T0338)C104.C only 0.000 apart, marking (T0338)C104.C as missing WARNING: atoms too close: (T0338)A101.C and (T0338)C104.C only 0.000 apart, marking (T0338)C104.C as missing WARNING: atoms too close: (T0338)V100.C and (T0338)C104.C only 0.000 apart, marking (T0338)C104.C as missing WARNING: atoms too close: (T0338)K99.C and (T0338)C104.C only 0.000 apart, marking (T0338)C104.C as missing WARNING: atoms too close: (T0338)I98.C and (T0338)C104.C only 0.000 apart, marking (T0338)C104.C as missing WARNING: atoms too close: (T0338)V97.C and (T0338)C104.C only 0.000 apart, marking (T0338)C104.C as missing WARNING: atoms too close: (T0338)H96.C and (T0338)C104.C only 0.000 apart, marking (T0338)C104.C as missing WARNING: atoms too close: (T0338)E95.C and (T0338)C104.C only 0.000 apart, marking (T0338)C104.C as missing WARNING: atoms too close: (T0338)L94.C and (T0338)C104.C only 0.000 apart, marking (T0338)C104.C as missing WARNING: atoms too close: (T0338)K93.C and (T0338)C104.C only 0.000 apart, marking (T0338)C104.C as missing WARNING: atoms too close: (T0338)R92.C and (T0338)C104.C only 0.000 apart, marking (T0338)C104.C as missing WARNING: atoms too close: (T0338)A91.C and (T0338)C104.C only 0.000 apart, marking (T0338)C104.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)C104.C only 0.000 apart, marking (T0338)C104.C as missing WARNING: atoms too close: (T0338)C104.N and (T0338)W200.N only 0.000 apart, marking (T0338)C104.N as missing WARNING: atoms too close: (T0338)A103.N and (T0338)W200.N only 0.000 apart, marking (T0338)A103.N as missing WARNING: atoms too close: (T0338)H102.N and (T0338)W200.N only 0.000 apart, marking (T0338)H102.N as missing WARNING: atoms too close: (T0338)A101.N and (T0338)W200.N only 0.000 apart, marking (T0338)A101.N as missing WARNING: atoms too close: (T0338)V100.N and (T0338)W200.N only 0.000 apart, marking (T0338)V100.N as missing WARNING: atoms too close: (T0338)K99.N and (T0338)W200.N only 0.000 apart, marking (T0338)K99.N as missing WARNING: atoms too close: (T0338)I98.N and (T0338)W200.N only 0.000 apart, marking (T0338)I98.N as missing WARNING: atoms too close: (T0338)V97.N and (T0338)W200.N only 0.000 apart, marking (T0338)V97.N as missing WARNING: atoms too close: (T0338)H96.N and (T0338)W200.N only 0.000 apart, marking (T0338)H96.N as missing WARNING: atoms too close: (T0338)E95.N and (T0338)W200.N only 0.000 apart, marking (T0338)E95.N as missing WARNING: atoms too close: (T0338)L94.N and (T0338)W200.N only 0.000 apart, marking (T0338)L94.N as missing WARNING: atoms too close: (T0338)K93.N and (T0338)W200.N only 0.000 apart, marking (T0338)K93.N as missing WARNING: atoms too close: (T0338)R92.N and (T0338)W200.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.N and (T0338)W200.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)W200.N only 0.000 apart, marking (T0338)W200.N as missing WARNING: atoms too close: (T0338)C104.CA and (T0338)W200.CA only 0.000 apart, marking (T0338)W200.CA as missing WARNING: atoms too close: (T0338)A103.CA and (T0338)W200.CA only 0.000 apart, marking (T0338)W200.CA as missing WARNING: atoms too close: (T0338)H102.CA and (T0338)W200.CA only 0.000 apart, marking (T0338)W200.CA as missing WARNING: atoms too close: (T0338)A101.CA and (T0338)W200.CA only 0.000 apart, marking (T0338)W200.CA as missing WARNING: atoms too close: (T0338)V100.CA and (T0338)W200.CA only 0.000 apart, marking (T0338)W200.CA as missing WARNING: atoms too close: (T0338)K99.CA and (T0338)W200.CA only 0.000 apart, marking (T0338)W200.CA as missing WARNING: atoms too close: (T0338)I98.CA and (T0338)W200.CA only 0.000 apart, marking (T0338)W200.CA as missing WARNING: atoms too close: (T0338)V97.CA and (T0338)W200.CA only 0.000 apart, marking (T0338)W200.CA as missing WARNING: atoms too close: (T0338)H96.CA and (T0338)W200.CA only 0.000 apart, marking (T0338)W200.CA as missing WARNING: atoms too close: (T0338)E95.CA and (T0338)W200.CA only 0.000 apart, marking (T0338)W200.CA as missing WARNING: atoms too close: (T0338)L94.CA and (T0338)W200.CA only 0.000 apart, marking (T0338)W200.CA as missing WARNING: atoms too close: (T0338)K93.CA and (T0338)W200.CA only 0.000 apart, marking (T0338)W200.CA as missing WARNING: atoms too close: (T0338)R92.CA and (T0338)W200.CA only 0.000 apart, marking (T0338)W200.CA as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)W200.CA only 0.000 apart, marking (T0338)W200.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)W200.CA only 0.000 apart, marking (T0338)W200.CA as missing WARNING: atoms too close: (T0338)C104.CB and (T0338)W200.CB only 0.000 apart, marking (T0338)W200.CB as missing WARNING: atoms too close: (T0338)A103.CB and (T0338)W200.CB only 0.000 apart, marking (T0338)W200.CB as missing WARNING: atoms too close: (T0338)H102.CB and (T0338)W200.CB only 0.000 apart, marking (T0338)W200.CB as missing WARNING: atoms too close: (T0338)A101.CB and (T0338)W200.CB only 0.000 apart, marking (T0338)W200.CB as missing WARNING: atoms too close: (T0338)V100.CB and (T0338)W200.CB only 0.000 apart, marking (T0338)W200.CB as missing WARNING: atoms too close: (T0338)K99.CB and (T0338)W200.CB only 0.000 apart, marking (T0338)W200.CB as missing WARNING: atoms too close: (T0338)I98.CB and (T0338)W200.CB only 0.000 apart, marking (T0338)W200.CB as missing WARNING: atoms too close: (T0338)V97.CB and (T0338)W200.CB only 0.000 apart, marking (T0338)W200.CB as missing WARNING: atoms too close: (T0338)H96.CB and (T0338)W200.CB only 0.000 apart, marking (T0338)W200.CB as missing WARNING: atoms too close: (T0338)E95.CB and (T0338)W200.CB only 0.000 apart, marking (T0338)W200.CB as missing WARNING: atoms too close: (T0338)L94.CB and (T0338)W200.CB only 0.000 apart, marking (T0338)W200.CB as missing WARNING: atoms too close: (T0338)K93.CB and (T0338)W200.CB only 0.000 apart, marking (T0338)W200.CB as missing WARNING: atoms too close: (T0338)R92.CB and (T0338)W200.CB only 0.000 apart, marking (T0338)W200.CB as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)W200.CB only 0.000 apart, marking (T0338)W200.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)W200.CB only 0.000 apart, marking (T0338)W200.CB as missing WARNING: atoms too close: (T0338)H102.CG and (T0338)W200.CG only 0.000 apart, marking (T0338)W200.CG as missing WARNING: atoms too close: (T0338)V100.CG1 and (T0338)W200.CG only 0.000 apart, marking (T0338)W200.CG as missing WARNING: atoms too close: (T0338)K99.CG and (T0338)W200.CG only 0.000 apart, marking (T0338)W200.CG as missing WARNING: atoms too close: (T0338)I98.CG1 and (T0338)W200.CG only 0.000 apart, marking (T0338)W200.CG as missing WARNING: atoms too close: (T0338)V97.CG1 and (T0338)W200.CG only 0.000 apart, marking (T0338)W200.CG as missing WARNING: atoms too close: (T0338)H96.CG and (T0338)W200.CG only 0.000 apart, marking (T0338)W200.CG as missing WARNING: atoms too close: (T0338)E95.CG and (T0338)W200.CG only 0.000 apart, marking (T0338)W200.CG as missing WARNING: atoms too close: (T0338)L94.CG and (T0338)W200.CG only 0.000 apart, marking (T0338)W200.CG as missing WARNING: atoms too close: (T0338)K93.CG and (T0338)W200.CG only 0.000 apart, marking (T0338)W200.CG as missing WARNING: atoms too close: (T0338)R92.CG and (T0338)W200.CG only 0.000 apart, marking (T0338)W200.CG as missing WARNING: atoms too close: (T0338)Q90.CG and (T0338)W200.CG only 0.000 apart, marking (T0338)W200.CG as missing WARNING: atoms too close: (T0338)C104.O and (T0338)W200.O only 0.000 apart, marking (T0338)W200.O as missing WARNING: atoms too close: (T0338)A103.O and (T0338)W200.O only 0.000 apart, marking (T0338)W200.O as missing WARNING: atoms too close: (T0338)H102.O and (T0338)W200.O only 0.000 apart, marking (T0338)W200.O as missing WARNING: atoms too close: (T0338)A101.O and (T0338)W200.O only 0.000 apart, marking (T0338)W200.O as missing WARNING: atoms too close: (T0338)V100.O and (T0338)W200.O only 0.000 apart, marking (T0338)W200.O as missing WARNING: atoms too close: (T0338)K99.O and (T0338)W200.O only 0.000 apart, marking (T0338)W200.O as missing WARNING: atoms too close: (T0338)I98.O and (T0338)W200.O only 0.000 apart, marking (T0338)W200.O as missing WARNING: atoms too close: (T0338)V97.O and (T0338)W200.O only 0.000 apart, marking (T0338)W200.O as missing WARNING: atoms too close: (T0338)H96.O and (T0338)W200.O only 0.000 apart, marking (T0338)W200.O as missing WARNING: atoms too close: (T0338)E95.O and (T0338)W200.O only 0.000 apart, marking (T0338)W200.O as missing WARNING: atoms too close: (T0338)L94.O and (T0338)W200.O only 0.000 apart, marking (T0338)W200.O as missing WARNING: atoms too close: (T0338)K93.O and (T0338)W200.O only 0.000 apart, marking (T0338)W200.O as missing WARNING: atoms too close: (T0338)R92.O and (T0338)W200.O only 0.000 apart, marking (T0338)W200.O as missing WARNING: atoms too close: (T0338)A91.O and (T0338)W200.O only 0.000 apart, marking (T0338)W200.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)W200.O only 0.000 apart, marking (T0338)W200.O as missing WARNING: atoms too close: (T0338)C104.C and (T0338)W200.C only 0.000 apart, marking (T0338)W200.C as missing WARNING: atoms too close: (T0338)A103.C and (T0338)W200.C only 0.000 apart, marking (T0338)W200.C as missing WARNING: atoms too close: (T0338)H102.C and (T0338)W200.C only 0.000 apart, marking (T0338)W200.C as missing WARNING: atoms too close: (T0338)A101.C and (T0338)W200.C only 0.000 apart, marking (T0338)W200.C as missing WARNING: atoms too close: (T0338)V100.C and (T0338)W200.C only 0.000 apart, marking (T0338)W200.C as missing WARNING: atoms too close: (T0338)K99.C and (T0338)W200.C only 0.000 apart, marking (T0338)W200.C as missing WARNING: atoms too close: (T0338)I98.C and (T0338)W200.C only 0.000 apart, marking (T0338)W200.C as missing WARNING: atoms too close: (T0338)V97.C and (T0338)W200.C only 0.000 apart, marking (T0338)W200.C as missing WARNING: atoms too close: (T0338)H96.C and (T0338)W200.C only 0.000 apart, marking (T0338)W200.C as missing WARNING: atoms too close: (T0338)E95.C and (T0338)W200.C only 0.000 apart, marking (T0338)W200.C as missing WARNING: atoms too close: (T0338)L94.C and (T0338)W200.C only 0.000 apart, marking (T0338)W200.C as missing WARNING: atoms too close: (T0338)K93.C and (T0338)W200.C only 0.000 apart, marking (T0338)W200.C as missing WARNING: atoms too close: (T0338)R92.C and (T0338)W200.C only 0.000 apart, marking (T0338)W200.C as missing WARNING: atoms too close: (T0338)A91.C and (T0338)W200.C only 0.000 apart, marking (T0338)W200.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)W200.C only 0.000 apart, marking (T0338)W200.C as missing WARNING: atoms too close: (T0338)W200.N and (T0338)S201.N only 0.000 apart, marking (T0338)W200.N as missing WARNING: atoms too close: (T0338)C104.N and (T0338)S201.N only 0.000 apart, marking (T0338)C104.N as missing WARNING: atoms too close: (T0338)A103.N and (T0338)S201.N only 0.000 apart, marking (T0338)A103.N as missing WARNING: atoms too close: (T0338)H102.N and (T0338)S201.N only 0.000 apart, marking (T0338)H102.N as missing WARNING: atoms too close: (T0338)A101.N and (T0338)S201.N only 0.000 apart, marking (T0338)A101.N as missing WARNING: atoms too close: (T0338)V100.N and (T0338)S201.N only 0.000 apart, marking (T0338)V100.N as missing WARNING: atoms too close: (T0338)K99.N and (T0338)S201.N only 0.000 apart, marking (T0338)K99.N as missing WARNING: atoms too close: (T0338)I98.N and (T0338)S201.N only 0.000 apart, marking (T0338)I98.N as missing WARNING: atoms too close: (T0338)V97.N and (T0338)S201.N only 0.000 apart, marking (T0338)V97.N as missing WARNING: atoms too close: (T0338)H96.N and (T0338)S201.N only 0.000 apart, marking (T0338)H96.N as missing WARNING: atoms too close: (T0338)E95.N and (T0338)S201.N only 0.000 apart, marking (T0338)E95.N as missing WARNING: atoms too close: (T0338)L94.N and (T0338)S201.N only 0.000 apart, marking (T0338)L94.N as missing WARNING: atoms too close: (T0338)K93.N and (T0338)S201.N only 0.000 apart, marking (T0338)K93.N as missing WARNING: atoms too close: (T0338)R92.N and (T0338)S201.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.N and (T0338)S201.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)S201.N only 0.000 apart, marking (T0338)S201.N as missing WARNING: atoms too close: (T0338)W200.CA and (T0338)S201.CA only 0.000 apart, marking (T0338)S201.CA as missing WARNING: atoms too close: (T0338)C104.CA and (T0338)S201.CA only 0.000 apart, marking (T0338)S201.CA as missing WARNING: atoms too close: (T0338)A103.CA and (T0338)S201.CA only 0.000 apart, marking (T0338)S201.CA as missing WARNING: atoms too close: (T0338)H102.CA and (T0338)S201.CA only 0.000 apart, marking (T0338)S201.CA as missing WARNING: atoms too close: (T0338)A101.CA and (T0338)S201.CA only 0.000 apart, marking (T0338)S201.CA as missing WARNING: atoms too close: (T0338)V100.CA and (T0338)S201.CA only 0.000 apart, marking (T0338)S201.CA as missing WARNING: atoms too close: (T0338)K99.CA and (T0338)S201.CA only 0.000 apart, marking (T0338)S201.CA as missing WARNING: atoms too close: (T0338)I98.CA and (T0338)S201.CA only 0.000 apart, marking (T0338)S201.CA as missing WARNING: atoms too close: (T0338)V97.CA and (T0338)S201.CA only 0.000 apart, marking (T0338)S201.CA as missing WARNING: atoms too close: (T0338)H96.CA and (T0338)S201.CA only 0.000 apart, marking (T0338)S201.CA as missing WARNING: atoms too close: (T0338)E95.CA and (T0338)S201.CA only 0.000 apart, marking (T0338)S201.CA as missing WARNING: atoms too close: (T0338)L94.CA and (T0338)S201.CA only 0.000 apart, marking (T0338)S201.CA as missing WARNING: atoms too close: (T0338)K93.CA and (T0338)S201.CA only 0.000 apart, marking (T0338)S201.CA as missing WARNING: atoms too close: (T0338)R92.CA and (T0338)S201.CA only 0.000 apart, marking (T0338)S201.CA as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)S201.CA only 0.000 apart, marking (T0338)S201.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)S201.CA only 0.000 apart, marking (T0338)S201.CA as missing WARNING: atoms too close: (T0338)W200.CB and (T0338)S201.CB only 0.000 apart, marking (T0338)S201.CB as missing WARNING: atoms too close: (T0338)C104.CB and (T0338)S201.CB only 0.000 apart, marking (T0338)S201.CB as missing WARNING: atoms too close: (T0338)A103.CB and (T0338)S201.CB only 0.000 apart, marking (T0338)S201.CB as missing WARNING: atoms too close: (T0338)H102.CB and (T0338)S201.CB only 0.000 apart, marking (T0338)S201.CB as missing WARNING: atoms too close: (T0338)A101.CB and (T0338)S201.CB only 0.000 apart, marking (T0338)S201.CB as missing WARNING: atoms too close: (T0338)V100.CB and (T0338)S201.CB only 0.000 apart, marking (T0338)S201.CB as missing WARNING: atoms too close: (T0338)K99.CB and (T0338)S201.CB only 0.000 apart, marking (T0338)S201.CB as missing WARNING: atoms too close: (T0338)I98.CB and (T0338)S201.CB only 0.000 apart, marking (T0338)S201.CB as missing WARNING: atoms too close: (T0338)V97.CB and (T0338)S201.CB only 0.000 apart, marking (T0338)S201.CB as missing WARNING: atoms too close: (T0338)H96.CB and (T0338)S201.CB only 0.000 apart, marking (T0338)S201.CB as missing WARNING: atoms too close: (T0338)E95.CB and (T0338)S201.CB only 0.000 apart, marking (T0338)S201.CB as missing WARNING: atoms too close: (T0338)L94.CB and (T0338)S201.CB only 0.000 apart, marking (T0338)S201.CB as missing WARNING: atoms too close: (T0338)K93.CB and (T0338)S201.CB only 0.000 apart, marking (T0338)S201.CB as missing WARNING: atoms too close: (T0338)R92.CB and (T0338)S201.CB only 0.000 apart, marking (T0338)S201.CB as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)S201.CB only 0.000 apart, marking (T0338)S201.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)S201.CB only 0.000 apart, marking (T0338)S201.CB as missing WARNING: atoms too close: (T0338)W200.O and (T0338)S201.O only 0.000 apart, marking (T0338)S201.O as missing WARNING: atoms too close: (T0338)C104.O and (T0338)S201.O only 0.000 apart, marking (T0338)S201.O as missing WARNING: atoms too close: (T0338)A103.O and (T0338)S201.O only 0.000 apart, marking (T0338)S201.O as missing WARNING: atoms too close: (T0338)H102.O and (T0338)S201.O only 0.000 apart, marking (T0338)S201.O as missing WARNING: atoms too close: (T0338)A101.O and (T0338)S201.O only 0.000 apart, marking (T0338)S201.O as missing WARNING: atoms too close: (T0338)V100.O and (T0338)S201.O only 0.000 apart, marking (T0338)S201.O as missing WARNING: atoms too close: (T0338)K99.O and (T0338)S201.O only 0.000 apart, marking (T0338)S201.O as missing WARNING: atoms too close: (T0338)I98.O and (T0338)S201.O only 0.000 apart, marking (T0338)S201.O as missing WARNING: atoms too close: (T0338)V97.O and (T0338)S201.O only 0.000 apart, marking (T0338)S201.O as missing WARNING: atoms too close: (T0338)H96.O and (T0338)S201.O only 0.000 apart, marking (T0338)S201.O as missing WARNING: atoms too close: (T0338)E95.O and (T0338)S201.O only 0.000 apart, marking (T0338)S201.O as missing WARNING: atoms too close: (T0338)L94.O and (T0338)S201.O only 0.000 apart, marking (T0338)S201.O as missing WARNING: atoms too close: (T0338)K93.O and (T0338)S201.O only 0.000 apart, marking (T0338)S201.O as missing WARNING: atoms too close: (T0338)R92.O and (T0338)S201.O only 0.000 apart, marking (T0338)S201.O as missing WARNING: atoms too close: (T0338)A91.O and (T0338)S201.O only 0.000 apart, marking (T0338)S201.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)S201.O only 0.000 apart, marking (T0338)S201.O as missing WARNING: atoms too close: (T0338)W200.C and (T0338)S201.C only 0.000 apart, marking (T0338)S201.C as missing WARNING: atoms too close: (T0338)C104.C and (T0338)S201.C only 0.000 apart, marking (T0338)S201.C as missing WARNING: atoms too close: (T0338)A103.C and (T0338)S201.C only 0.000 apart, marking (T0338)S201.C as missing WARNING: atoms too close: (T0338)H102.C and (T0338)S201.C only 0.000 apart, marking (T0338)S201.C as missing WARNING: atoms too close: (T0338)A101.C and (T0338)S201.C only 0.000 apart, marking (T0338)S201.C as missing WARNING: atoms too close: (T0338)V100.C and (T0338)S201.C only 0.000 apart, marking (T0338)S201.C as missing WARNING: atoms too close: (T0338)K99.C and (T0338)S201.C only 0.000 apart, marking (T0338)S201.C as missing WARNING: atoms too close: (T0338)I98.C and (T0338)S201.C only 0.000 apart, marking (T0338)S201.C as missing WARNING: atoms too close: (T0338)V97.C and (T0338)S201.C only 0.000 apart, marking (T0338)S201.C as missing WARNING: atoms too close: (T0338)H96.C and (T0338)S201.C only 0.000 apart, marking (T0338)S201.C as missing WARNING: atoms too close: (T0338)E95.C and (T0338)S201.C only 0.000 apart, marking (T0338)S201.C as missing WARNING: atoms too close: (T0338)L94.C and (T0338)S201.C only 0.000 apart, marking (T0338)S201.C as missing WARNING: atoms too close: (T0338)K93.C and (T0338)S201.C only 0.000 apart, marking (T0338)S201.C as missing WARNING: atoms too close: (T0338)R92.C and (T0338)S201.C only 0.000 apart, marking (T0338)S201.C as missing WARNING: atoms too close: (T0338)A91.C and (T0338)S201.C only 0.000 apart, marking (T0338)S201.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)S201.C only 0.000 apart, marking (T0338)S201.C as missing WARNING: atoms too close: (T0338)S201.N and (T0338)N202.N only 0.000 apart, marking (T0338)S201.N as missing WARNING: atoms too close: (T0338)W200.N and (T0338)N202.N only 0.000 apart, marking (T0338)W200.N as missing WARNING: atoms too close: (T0338)C104.N and (T0338)N202.N only 0.000 apart, marking (T0338)C104.N as missing WARNING: atoms too close: (T0338)A103.N and (T0338)N202.N only 0.000 apart, marking (T0338)A103.N as missing WARNING: atoms too close: (T0338)H102.N and (T0338)N202.N only 0.000 apart, marking (T0338)H102.N as missing WARNING: atoms too close: (T0338)A101.N and (T0338)N202.N only 0.000 apart, marking (T0338)A101.N as missing WARNING: atoms too close: (T0338)V100.N and (T0338)N202.N only 0.000 apart, marking (T0338)V100.N as missing WARNING: atoms too close: (T0338)K99.N and (T0338)N202.N only 0.000 apart, marking (T0338)K99.N as missing WARNING: atoms too close: (T0338)I98.N and (T0338)N202.N only 0.000 apart, marking (T0338)I98.N as missing WARNING: atoms too close: (T0338)V97.N and (T0338)N202.N only 0.000 apart, marking (T0338)V97.N as missing WARNING: atoms too close: (T0338)H96.N and (T0338)N202.N only 0.000 apart, marking (T0338)H96.N as missing WARNING: atoms too close: (T0338)E95.N and (T0338)N202.N only 0.000 apart, marking (T0338)E95.N as missing WARNING: atoms too close: (T0338)L94.N and (T0338)N202.N only 0.000 apart, marking (T0338)L94.N as missing WARNING: atoms too close: (T0338)K93.N and (T0338)N202.N only 0.000 apart, marking (T0338)K93.N as missing WARNING: atoms too close: (T0338)R92.N and (T0338)N202.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.N and (T0338)N202.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)N202.N only 0.000 apart, marking (T0338)N202.N as missing WARNING: atoms too close: (T0338)S201.CA and (T0338)N202.CA only 0.000 apart, marking (T0338)N202.CA as missing WARNING: atoms too close: (T0338)W200.CA and (T0338)N202.CA only 0.000 apart, marking (T0338)N202.CA as missing WARNING: atoms too close: (T0338)C104.CA and (T0338)N202.CA only 0.000 apart, marking (T0338)N202.CA as missing WARNING: atoms too close: (T0338)A103.CA and (T0338)N202.CA only 0.000 apart, marking (T0338)N202.CA as missing WARNING: atoms too close: (T0338)H102.CA and (T0338)N202.CA only 0.000 apart, marking (T0338)N202.CA as missing WARNING: atoms too close: (T0338)A101.CA and (T0338)N202.CA only 0.000 apart, marking (T0338)N202.CA as missing WARNING: atoms too close: (T0338)V100.CA and (T0338)N202.CA only 0.000 apart, marking (T0338)N202.CA as missing WARNING: atoms too close: (T0338)K99.CA and (T0338)N202.CA only 0.000 apart, marking (T0338)N202.CA as missing WARNING: atoms too close: (T0338)I98.CA and (T0338)N202.CA only 0.000 apart, marking (T0338)N202.CA as missing WARNING: atoms too close: (T0338)V97.CA and (T0338)N202.CA only 0.000 apart, marking (T0338)N202.CA as missing WARNING: atoms too close: (T0338)H96.CA and (T0338)N202.CA only 0.000 apart, marking (T0338)N202.CA as missing WARNING: atoms too close: (T0338)E95.CA and (T0338)N202.CA only 0.000 apart, marking (T0338)N202.CA as missing WARNING: atoms too close: (T0338)L94.CA and (T0338)N202.CA only 0.000 apart, marking (T0338)N202.CA as missing WARNING: atoms too close: (T0338)K93.CA and (T0338)N202.CA only 0.000 apart, marking (T0338)N202.CA as missing WARNING: atoms too close: (T0338)R92.CA and (T0338)N202.CA only 0.000 apart, marking (T0338)N202.CA as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)N202.CA only 0.000 apart, marking (T0338)N202.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)N202.CA only 0.000 apart, marking (T0338)N202.CA as missing WARNING: atoms too close: (T0338)S201.CB and (T0338)N202.CB only 0.000 apart, marking (T0338)N202.CB as missing WARNING: atoms too close: (T0338)W200.CB and (T0338)N202.CB only 0.000 apart, marking (T0338)N202.CB as missing WARNING: atoms too close: (T0338)C104.CB and (T0338)N202.CB only 0.000 apart, marking (T0338)N202.CB as missing WARNING: atoms too close: (T0338)A103.CB and (T0338)N202.CB only 0.000 apart, marking (T0338)N202.CB as missing WARNING: atoms too close: (T0338)H102.CB and (T0338)N202.CB only 0.000 apart, marking (T0338)N202.CB as missing WARNING: atoms too close: (T0338)A101.CB and (T0338)N202.CB only 0.000 apart, marking (T0338)N202.CB as missing WARNING: atoms too close: (T0338)V100.CB and (T0338)N202.CB only 0.000 apart, marking (T0338)N202.CB as missing WARNING: atoms too close: (T0338)K99.CB and (T0338)N202.CB only 0.000 apart, marking (T0338)N202.CB as missing WARNING: atoms too close: (T0338)I98.CB and (T0338)N202.CB only 0.000 apart, marking (T0338)N202.CB as missing WARNING: atoms too close: (T0338)V97.CB and (T0338)N202.CB only 0.000 apart, marking (T0338)N202.CB as missing WARNING: atoms too close: (T0338)H96.CB and (T0338)N202.CB only 0.000 apart, marking (T0338)N202.CB as missing WARNING: atoms too close: (T0338)E95.CB and (T0338)N202.CB only 0.000 apart, marking (T0338)N202.CB as missing WARNING: atoms too close: (T0338)L94.CB and (T0338)N202.CB only 0.000 apart, marking (T0338)N202.CB as missing WARNING: atoms too close: (T0338)K93.CB and (T0338)N202.CB only 0.000 apart, marking (T0338)N202.CB as missing WARNING: atoms too close: (T0338)R92.CB and (T0338)N202.CB only 0.000 apart, marking (T0338)N202.CB as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)N202.CB only 0.000 apart, marking (T0338)N202.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)N202.CB only 0.000 apart, marking (T0338)N202.CB as missing WARNING: atoms too close: (T0338)W200.CG and (T0338)N202.CG only 0.000 apart, marking (T0338)N202.CG as missing WARNING: atoms too close: (T0338)H102.CG and (T0338)N202.CG only 0.000 apart, marking (T0338)N202.CG as missing WARNING: atoms too close: (T0338)V100.CG1 and (T0338)N202.CG only 0.000 apart, marking (T0338)N202.CG as missing WARNING: atoms too close: (T0338)K99.CG and (T0338)N202.CG only 0.000 apart, marking (T0338)N202.CG as missing WARNING: atoms too close: (T0338)I98.CG1 and (T0338)N202.CG only 0.000 apart, marking (T0338)N202.CG as missing WARNING: atoms too close: (T0338)V97.CG1 and (T0338)N202.CG only 0.000 apart, marking (T0338)N202.CG as missing WARNING: atoms too close: (T0338)H96.CG and (T0338)N202.CG only 0.000 apart, marking (T0338)N202.CG as missing WARNING: atoms too close: (T0338)E95.CG and (T0338)N202.CG only 0.000 apart, marking (T0338)N202.CG as missing WARNING: atoms too close: (T0338)L94.CG and (T0338)N202.CG only 0.000 apart, marking (T0338)N202.CG as missing WARNING: atoms too close: (T0338)K93.CG and (T0338)N202.CG only 0.000 apart, marking (T0338)N202.CG as missing WARNING: atoms too close: (T0338)R92.CG and (T0338)N202.CG only 0.000 apart, marking (T0338)N202.CG as missing WARNING: atoms too close: (T0338)Q90.CG and (T0338)N202.CG only 0.000 apart, marking (T0338)N202.CG as missing WARNING: atoms too close: (T0338)S201.O and (T0338)N202.O only 0.000 apart, marking (T0338)N202.O as missing WARNING: atoms too close: (T0338)W200.O and (T0338)N202.O only 0.000 apart, marking (T0338)N202.O as missing WARNING: atoms too close: (T0338)C104.O and (T0338)N202.O only 0.000 apart, marking (T0338)N202.O as missing WARNING: atoms too close: (T0338)A103.O and (T0338)N202.O only 0.000 apart, marking (T0338)N202.O as missing WARNING: atoms too close: (T0338)H102.O and (T0338)N202.O only 0.000 apart, marking (T0338)N202.O as missing WARNING: atoms too close: (T0338)A101.O and (T0338)N202.O only 0.000 apart, marking (T0338)N202.O as missing WARNING: atoms too close: (T0338)V100.O and (T0338)N202.O only 0.000 apart, marking (T0338)N202.O as missing WARNING: atoms too close: (T0338)K99.O and (T0338)N202.O only 0.000 apart, marking (T0338)N202.O as missing WARNING: atoms too close: (T0338)I98.O and (T0338)N202.O only 0.000 apart, marking (T0338)N202.O as missing WARNING: atoms too close: (T0338)V97.O and (T0338)N202.O only 0.000 apart, marking (T0338)N202.O as missing WARNING: atoms too close: (T0338)H96.O and (T0338)N202.O only 0.000 apart, marking (T0338)N202.O as missing WARNING: atoms too close: (T0338)E95.O and (T0338)N202.O only 0.000 apart, marking (T0338)N202.O as missing WARNING: atoms too close: (T0338)L94.O and (T0338)N202.O only 0.000 apart, marking (T0338)N202.O as missing WARNING: atoms too close: (T0338)K93.O and (T0338)N202.O only 0.000 apart, marking (T0338)N202.O as missing WARNING: atoms too close: (T0338)R92.O and (T0338)N202.O only 0.000 apart, marking (T0338)N202.O as missing WARNING: atoms too close: (T0338)A91.O and (T0338)N202.O only 0.000 apart, marking (T0338)N202.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)N202.O only 0.000 apart, marking (T0338)N202.O as missing WARNING: atoms too close: (T0338)S201.C and (T0338)N202.C only 0.000 apart, marking (T0338)N202.C as missing WARNING: atoms too close: (T0338)W200.C and (T0338)N202.C only 0.000 apart, marking (T0338)N202.C as missing WARNING: atoms too close: (T0338)C104.C and (T0338)N202.C only 0.000 apart, marking (T0338)N202.C as missing WARNING: atoms too close: (T0338)A103.C and (T0338)N202.C only 0.000 apart, marking (T0338)N202.C as missing WARNING: atoms too close: (T0338)H102.C and (T0338)N202.C only 0.000 apart, marking (T0338)N202.C as missing WARNING: atoms too close: (T0338)A101.C and (T0338)N202.C only 0.000 apart, marking (T0338)N202.C as missing WARNING: atoms too close: (T0338)V100.C and (T0338)N202.C only 0.000 apart, marking (T0338)N202.C as missing WARNING: atoms too close: (T0338)K99.C and (T0338)N202.C only 0.000 apart, marking (T0338)N202.C as missing WARNING: atoms too close: (T0338)I98.C and (T0338)N202.C only 0.000 apart, marking (T0338)N202.C as missing WARNING: atoms too close: (T0338)V97.C and (T0338)N202.C only 0.000 apart, marking (T0338)N202.C as missing WARNING: atoms too close: (T0338)H96.C and (T0338)N202.C only 0.000 apart, marking (T0338)N202.C as missing WARNING: atoms too close: (T0338)E95.C and (T0338)N202.C only 0.000 apart, marking (T0338)N202.C as missing WARNING: atoms too close: (T0338)L94.C and (T0338)N202.C only 0.000 apart, marking (T0338)N202.C as missing WARNING: atoms too close: (T0338)K93.C and (T0338)N202.C only 0.000 apart, marking (T0338)N202.C as missing WARNING: atoms too close: (T0338)R92.C and (T0338)N202.C only 0.000 apart, marking (T0338)N202.C as missing WARNING: atoms too close: (T0338)A91.C and (T0338)N202.C only 0.000 apart, marking (T0338)N202.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)N202.C only 0.000 apart, marking (T0338)N202.C as missing WARNING: atoms too close: (T0338)N202.N and (T0338)W203.N only 0.000 apart, marking (T0338)N202.N as missing WARNING: atoms too close: (T0338)S201.N and (T0338)W203.N only 0.000 apart, marking (T0338)S201.N as missing WARNING: atoms too close: (T0338)W200.N and (T0338)W203.N only 0.000 apart, marking (T0338)W200.N as missing WARNING: atoms too close: (T0338)C104.N and (T0338)W203.N only 0.000 apart, marking (T0338)C104.N as missing WARNING: atoms too close: (T0338)A103.N and (T0338)W203.N only 0.000 apart, marking (T0338)A103.N as missing WARNING: atoms too close: (T0338)H102.N and (T0338)W203.N only 0.000 apart, marking (T0338)H102.N as missing WARNING: atoms too close: (T0338)A101.N and (T0338)W203.N only 0.000 apart, marking (T0338)A101.N as missing WARNING: atoms too close: (T0338)V100.N and (T0338)W203.N only 0.000 apart, marking (T0338)V100.N as missing WARNING: atoms too close: (T0338)K99.N and (T0338)W203.N only 0.000 apart, marking (T0338)K99.N as missing WARNING: atoms too close: (T0338)I98.N and (T0338)W203.N only 0.000 apart, marking (T0338)I98.N as missing WARNING: atoms too close: (T0338)V97.N and (T0338)W203.N only 0.000 apart, marking (T0338)V97.N as missing WARNING: atoms too close: (T0338)H96.N and (T0338)W203.N only 0.000 apart, marking (T0338)H96.N as missing WARNING: atoms too close: (T0338)E95.N and (T0338)W203.N only 0.000 apart, marking (T0338)E95.N as missing WARNING: atoms too close: (T0338)L94.N and (T0338)W203.N only 0.000 apart, marking (T0338)L94.N as missing WARNING: atoms too close: (T0338)K93.N and (T0338)W203.N only 0.000 apart, marking (T0338)K93.N as missing WARNING: atoms too close: (T0338)R92.N and (T0338)W203.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.N and (T0338)W203.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)W203.N only 0.000 apart, marking (T0338)W203.N as missing WARNING: atoms too close: (T0338)N202.CA and (T0338)W203.CA only 0.000 apart, marking (T0338)W203.CA as missing WARNING: atoms too close: (T0338)S201.CA and (T0338)W203.CA only 0.000 apart, marking (T0338)W203.CA as missing WARNING: atoms too close: (T0338)W200.CA and (T0338)W203.CA only 0.000 apart, marking (T0338)W203.CA as missing WARNING: atoms too close: (T0338)C104.CA and (T0338)W203.CA only 0.000 apart, marking (T0338)W203.CA as missing WARNING: atoms too close: (T0338)A103.CA and (T0338)W203.CA only 0.000 apart, marking (T0338)W203.CA as missing WARNING: atoms too close: (T0338)H102.CA and (T0338)W203.CA only 0.000 apart, marking (T0338)W203.CA as missing WARNING: atoms too close: (T0338)A101.CA and (T0338)W203.CA only 0.000 apart, marking (T0338)W203.CA as missing WARNING: atoms too close: (T0338)V100.CA and (T0338)W203.CA only 0.000 apart, marking (T0338)W203.CA as missing WARNING: atoms too close: (T0338)K99.CA and (T0338)W203.CA only 0.000 apart, marking (T0338)W203.CA as missing WARNING: atoms too close: (T0338)I98.CA and (T0338)W203.CA only 0.000 apart, marking (T0338)W203.CA as missing WARNING: atoms too close: (T0338)V97.CA and (T0338)W203.CA only 0.000 apart, marking (T0338)W203.CA as missing WARNING: atoms too close: (T0338)H96.CA and (T0338)W203.CA only 0.000 apart, marking (T0338)W203.CA as missing WARNING: atoms too close: (T0338)E95.CA and (T0338)W203.CA only 0.000 apart, marking (T0338)W203.CA as missing WARNING: atoms too close: (T0338)L94.CA and (T0338)W203.CA only 0.000 apart, marking (T0338)W203.CA as missing WARNING: atoms too close: (T0338)K93.CA and (T0338)W203.CA only 0.000 apart, marking (T0338)W203.CA as missing WARNING: atoms too close: (T0338)R92.CA and (T0338)W203.CA only 0.000 apart, marking (T0338)W203.CA as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)W203.CA only 0.000 apart, marking (T0338)W203.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)W203.CA only 0.000 apart, marking (T0338)W203.CA as missing WARNING: atoms too close: (T0338)N202.CB and (T0338)W203.CB only 0.000 apart, marking (T0338)W203.CB as missing WARNING: atoms too close: (T0338)S201.CB and (T0338)W203.CB only 0.000 apart, marking (T0338)W203.CB as missing WARNING: atoms too close: (T0338)W200.CB and (T0338)W203.CB only 0.000 apart, marking (T0338)W203.CB as missing WARNING: atoms too close: (T0338)C104.CB and (T0338)W203.CB only 0.000 apart, marking (T0338)W203.CB as missing WARNING: atoms too close: (T0338)A103.CB and (T0338)W203.CB only 0.000 apart, marking (T0338)W203.CB as missing WARNING: atoms too close: (T0338)H102.CB and (T0338)W203.CB only 0.000 apart, marking (T0338)W203.CB as missing WARNING: atoms too close: (T0338)A101.CB and (T0338)W203.CB only 0.000 apart, marking (T0338)W203.CB as missing WARNING: atoms too close: (T0338)V100.CB and (T0338)W203.CB only 0.000 apart, marking (T0338)W203.CB as missing WARNING: atoms too close: (T0338)K99.CB and (T0338)W203.CB only 0.000 apart, marking (T0338)W203.CB as missing WARNING: atoms too close: (T0338)I98.CB and (T0338)W203.CB only 0.000 apart, marking (T0338)W203.CB as missing WARNING: atoms too close: (T0338)V97.CB and (T0338)W203.CB only 0.000 apart, marking (T0338)W203.CB as missing WARNING: atoms too close: (T0338)H96.CB and (T0338)W203.CB only 0.000 apart, marking (T0338)W203.CB as missing WARNING: atoms too close: (T0338)E95.CB and (T0338)W203.CB only 0.000 apart, marking (T0338)W203.CB as missing WARNING: atoms too close: (T0338)L94.CB and (T0338)W203.CB only 0.000 apart, marking (T0338)W203.CB as missing WARNING: atoms too close: (T0338)K93.CB and (T0338)W203.CB only 0.000 apart, marking (T0338)W203.CB as missing WARNING: atoms too close: (T0338)R92.CB and (T0338)W203.CB only 0.000 apart, marking (T0338)W203.CB as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)W203.CB only 0.000 apart, marking (T0338)W203.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)W203.CB only 0.000 apart, marking (T0338)W203.CB as missing WARNING: atoms too close: (T0338)N202.CG and (T0338)W203.CG only 0.000 apart, marking (T0338)W203.CG as missing WARNING: atoms too close: (T0338)W200.CG and (T0338)W203.CG only 0.000 apart, marking (T0338)W203.CG as missing WARNING: atoms too close: (T0338)H102.CG and (T0338)W203.CG only 0.000 apart, marking (T0338)W203.CG as missing WARNING: atoms too close: (T0338)V100.CG1 and (T0338)W203.CG only 0.000 apart, marking (T0338)W203.CG as missing WARNING: atoms too close: (T0338)K99.CG and (T0338)W203.CG only 0.000 apart, marking (T0338)W203.CG as missing WARNING: atoms too close: (T0338)I98.CG1 and (T0338)W203.CG only 0.000 apart, marking (T0338)W203.CG as missing WARNING: atoms too close: (T0338)V97.CG1 and (T0338)W203.CG only 0.000 apart, marking (T0338)W203.CG as missing WARNING: atoms too close: (T0338)H96.CG and (T0338)W203.CG only 0.000 apart, marking (T0338)W203.CG as missing WARNING: atoms too close: (T0338)E95.CG and (T0338)W203.CG only 0.000 apart, marking (T0338)W203.CG as missing WARNING: atoms too close: (T0338)L94.CG and (T0338)W203.CG only 0.000 apart, marking (T0338)W203.CG as missing WARNING: atoms too close: (T0338)K93.CG and (T0338)W203.CG only 0.000 apart, marking (T0338)W203.CG as missing WARNING: atoms too close: (T0338)R92.CG and (T0338)W203.CG only 0.000 apart, marking (T0338)W203.CG as missing WARNING: atoms too close: (T0338)Q90.CG and (T0338)W203.CG only 0.000 apart, marking (T0338)W203.CG as missing WARNING: atoms too close: (T0338)N202.O and (T0338)W203.O only 0.000 apart, marking (T0338)W203.O as missing WARNING: atoms too close: (T0338)S201.O and (T0338)W203.O only 0.000 apart, marking (T0338)W203.O as missing WARNING: atoms too close: (T0338)W200.O and (T0338)W203.O only 0.000 apart, marking (T0338)W203.O as missing WARNING: atoms too close: (T0338)C104.O and (T0338)W203.O only 0.000 apart, marking (T0338)W203.O as missing WARNING: atoms too close: (T0338)A103.O and (T0338)W203.O only 0.000 apart, marking (T0338)W203.O as missing WARNING: atoms too close: (T0338)H102.O and (T0338)W203.O only 0.000 apart, marking (T0338)W203.O as missing WARNING: atoms too close: (T0338)A101.O and (T0338)W203.O only 0.000 apart, marking (T0338)W203.O as missing WARNING: atoms too close: (T0338)V100.O and (T0338)W203.O only 0.000 apart, marking (T0338)W203.O as missing WARNING: atoms too close: (T0338)K99.O and (T0338)W203.O only 0.000 apart, marking (T0338)W203.O as missing WARNING: atoms too close: (T0338)I98.O and (T0338)W203.O only 0.000 apart, marking (T0338)W203.O as missing WARNING: atoms too close: (T0338)V97.O and (T0338)W203.O only 0.000 apart, marking (T0338)W203.O as missing WARNING: atoms too close: (T0338)H96.O and (T0338)W203.O only 0.000 apart, marking (T0338)W203.O as missing WARNING: atoms too close: (T0338)E95.O and (T0338)W203.O only 0.000 apart, marking (T0338)W203.O as missing WARNING: atoms too close: (T0338)L94.O and (T0338)W203.O only 0.000 apart, marking (T0338)W203.O as missing WARNING: atoms too close: (T0338)K93.O and (T0338)W203.O only 0.000 apart, marking (T0338)W203.O as missing WARNING: atoms too close: (T0338)R92.O and (T0338)W203.O only 0.000 apart, marking (T0338)W203.O as missing WARNING: atoms too close: (T0338)A91.O and (T0338)W203.O only 0.000 apart, marking (T0338)W203.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)W203.O only 0.000 apart, marking (T0338)W203.O as missing WARNING: atoms too close: (T0338)N202.C and (T0338)W203.C only 0.000 apart, marking (T0338)W203.C as missing WARNING: atoms too close: (T0338)S201.C and (T0338)W203.C only 0.000 apart, marking (T0338)W203.C as missing WARNING: atoms too close: (T0338)W200.C and (T0338)W203.C only 0.000 apart, marking (T0338)W203.C as missing WARNING: atoms too close: (T0338)C104.C and (T0338)W203.C only 0.000 apart, marking (T0338)W203.C as missing WARNING: atoms too close: (T0338)A103.C and (T0338)W203.C only 0.000 apart, marking (T0338)W203.C as missing WARNING: atoms too close: (T0338)H102.C and (T0338)W203.C only 0.000 apart, marking (T0338)W203.C as missing WARNING: atoms too close: (T0338)A101.C and (T0338)W203.C only 0.000 apart, marking (T0338)W203.C as missing WARNING: atoms too close: (T0338)V100.C and (T0338)W203.C only 0.000 apart, marking (T0338)W203.C as missing WARNING: atoms too close: (T0338)K99.C and (T0338)W203.C only 0.000 apart, marking (T0338)W203.C as missing WARNING: atoms too close: (T0338)I98.C and (T0338)W203.C only 0.000 apart, marking (T0338)W203.C as missing WARNING: atoms too close: (T0338)V97.C and (T0338)W203.C only 0.000 apart, marking (T0338)W203.C as missing WARNING: atoms too close: (T0338)H96.C and (T0338)W203.C only 0.000 apart, marking (T0338)W203.C as missing WARNING: atoms too close: (T0338)E95.C and (T0338)W203.C only 0.000 apart, marking (T0338)W203.C as missing WARNING: atoms too close: (T0338)L94.C and (T0338)W203.C only 0.000 apart, marking (T0338)W203.C as missing WARNING: atoms too close: (T0338)K93.C and (T0338)W203.C only 0.000 apart, marking (T0338)W203.C as missing WARNING: atoms too close: (T0338)R92.C and (T0338)W203.C only 0.000 apart, marking (T0338)W203.C as missing WARNING: atoms too close: (T0338)A91.C and (T0338)W203.C only 0.000 apart, marking (T0338)W203.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)W203.C only 0.000 apart, marking (T0338)W203.C as missing WARNING: atoms too close: (T0338)W203.N and (T0338)E204.N only 0.000 apart, marking (T0338)W203.N as missing WARNING: atoms too close: (T0338)N202.N and (T0338)E204.N only 0.000 apart, marking (T0338)N202.N as missing WARNING: atoms too close: (T0338)S201.N and (T0338)E204.N only 0.000 apart, marking (T0338)S201.N as missing WARNING: atoms too close: (T0338)W200.N and (T0338)E204.N only 0.000 apart, marking (T0338)W200.N as missing WARNING: atoms too close: (T0338)C104.N and (T0338)E204.N only 0.000 apart, marking (T0338)C104.N as missing WARNING: atoms too close: (T0338)A103.N and (T0338)E204.N only 0.000 apart, marking (T0338)A103.N as missing WARNING: atoms too close: (T0338)H102.N and (T0338)E204.N only 0.000 apart, marking (T0338)H102.N as missing WARNING: atoms too close: (T0338)A101.N and (T0338)E204.N only 0.000 apart, marking (T0338)A101.N as missing WARNING: atoms too close: (T0338)V100.N and (T0338)E204.N only 0.000 apart, marking (T0338)V100.N as missing WARNING: atoms too close: (T0338)K99.N and (T0338)E204.N only 0.000 apart, marking (T0338)K99.N as missing WARNING: atoms too close: (T0338)I98.N and (T0338)E204.N only 0.000 apart, marking (T0338)I98.N as missing WARNING: atoms too close: (T0338)V97.N and (T0338)E204.N only 0.000 apart, marking (T0338)V97.N as missing WARNING: atoms too close: (T0338)H96.N and (T0338)E204.N only 0.000 apart, marking (T0338)H96.N as missing WARNING: atoms too close: (T0338)E95.N and (T0338)E204.N only 0.000 apart, marking (T0338)E95.N as missing WARNING: atoms too close: (T0338)L94.N and (T0338)E204.N only 0.000 apart, marking (T0338)L94.N as missing WARNING: atoms too close: (T0338)K93.N and (T0338)E204.N only 0.000 apart, marking (T0338)K93.N as missing WARNING: atoms too close: (T0338)R92.N and (T0338)E204.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.N and (T0338)E204.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)E204.N only 0.000 apart, marking (T0338)E204.N as missing WARNING: atoms too close: (T0338)W203.CA and (T0338)E204.CA only 0.000 apart, marking (T0338)E204.CA as missing WARNING: atoms too close: (T0338)N202.CA and (T0338)E204.CA only 0.000 apart, marking (T0338)E204.CA as missing WARNING: atoms too close: (T0338)S201.CA and (T0338)E204.CA only 0.000 apart, marking (T0338)E204.CA as missing WARNING: atoms too close: (T0338)W200.CA and (T0338)E204.CA only 0.000 apart, marking (T0338)E204.CA as missing WARNING: atoms too close: (T0338)C104.CA and (T0338)E204.CA only 0.000 apart, marking (T0338)E204.CA as missing WARNING: atoms too close: (T0338)A103.CA and (T0338)E204.CA only 0.000 apart, marking (T0338)E204.CA as missing WARNING: atoms too close: (T0338)H102.CA and (T0338)E204.CA only 0.000 apart, marking (T0338)E204.CA as missing WARNING: atoms too close: (T0338)A101.CA and (T0338)E204.CA only 0.000 apart, marking (T0338)E204.CA as missing WARNING: atoms too close: (T0338)V100.CA and (T0338)E204.CA only 0.000 apart, marking (T0338)E204.CA as missing WARNING: atoms too close: (T0338)K99.CA and (T0338)E204.CA only 0.000 apart, marking (T0338)E204.CA as missing WARNING: atoms too close: (T0338)I98.CA and (T0338)E204.CA only 0.000 apart, marking (T0338)E204.CA as missing WARNING: atoms too close: (T0338)V97.CA and (T0338)E204.CA only 0.000 apart, marking (T0338)E204.CA as missing WARNING: atoms too close: (T0338)H96.CA and (T0338)E204.CA only 0.000 apart, marking (T0338)E204.CA as missing WARNING: atoms too close: (T0338)E95.CA and (T0338)E204.CA only 0.000 apart, marking (T0338)E204.CA as missing WARNING: atoms too close: (T0338)L94.CA and (T0338)E204.CA only 0.000 apart, marking (T0338)E204.CA as missing WARNING: atoms too close: (T0338)K93.CA and (T0338)E204.CA only 0.000 apart, marking (T0338)E204.CA as missing WARNING: atoms too close: (T0338)R92.CA and (T0338)E204.CA only 0.000 apart, marking (T0338)E204.CA as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)E204.CA only 0.000 apart, marking (T0338)E204.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)E204.CA only 0.000 apart, marking (T0338)E204.CA as missing WARNING: atoms too close: (T0338)W203.CB and (T0338)E204.CB only 0.000 apart, marking (T0338)E204.CB as missing WARNING: atoms too close: (T0338)N202.CB and (T0338)E204.CB only 0.000 apart, marking (T0338)E204.CB as missing WARNING: atoms too close: (T0338)S201.CB and (T0338)E204.CB only 0.000 apart, marking (T0338)E204.CB as missing WARNING: atoms too close: (T0338)W200.CB and (T0338)E204.CB only 0.000 apart, marking (T0338)E204.CB as missing WARNING: atoms too close: (T0338)C104.CB and (T0338)E204.CB only 0.000 apart, marking (T0338)E204.CB as missing WARNING: atoms too close: (T0338)A103.CB and (T0338)E204.CB only 0.000 apart, marking (T0338)E204.CB as missing WARNING: atoms too close: (T0338)H102.CB and (T0338)E204.CB only 0.000 apart, marking (T0338)E204.CB as missing WARNING: atoms too close: (T0338)A101.CB and (T0338)E204.CB only 0.000 apart, marking (T0338)E204.CB as missing WARNING: atoms too close: (T0338)V100.CB and (T0338)E204.CB only 0.000 apart, marking (T0338)E204.CB as missing WARNING: atoms too close: (T0338)K99.CB and (T0338)E204.CB only 0.000 apart, marking (T0338)E204.CB as missing WARNING: atoms too close: (T0338)I98.CB and (T0338)E204.CB only 0.000 apart, marking (T0338)E204.CB as missing WARNING: atoms too close: (T0338)V97.CB and (T0338)E204.CB only 0.000 apart, marking (T0338)E204.CB as missing WARNING: atoms too close: (T0338)H96.CB and (T0338)E204.CB only 0.000 apart, marking (T0338)E204.CB as missing WARNING: atoms too close: (T0338)E95.CB and (T0338)E204.CB only 0.000 apart, marking (T0338)E204.CB as missing WARNING: atoms too close: (T0338)L94.CB and (T0338)E204.CB only 0.000 apart, marking (T0338)E204.CB as missing WARNING: atoms too close: (T0338)K93.CB and (T0338)E204.CB only 0.000 apart, marking (T0338)E204.CB as missing WARNING: atoms too close: (T0338)R92.CB and (T0338)E204.CB only 0.000 apart, marking (T0338)E204.CB as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)E204.CB only 0.000 apart, marking (T0338)E204.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)E204.CB only 0.000 apart, marking (T0338)E204.CB as missing WARNING: atoms too close: (T0338)W203.CG and (T0338)E204.CG only 0.000 apart, marking (T0338)E204.CG as missing WARNING: atoms too close: (T0338)N202.CG and (T0338)E204.CG only 0.000 apart, marking (T0338)E204.CG as missing WARNING: atoms too close: (T0338)W200.CG and (T0338)E204.CG only 0.000 apart, marking (T0338)E204.CG as missing WARNING: atoms too close: (T0338)H102.CG and (T0338)E204.CG only 0.000 apart, marking (T0338)E204.CG as missing WARNING: atoms too close: (T0338)V100.CG1 and (T0338)E204.CG only 0.000 apart, marking (T0338)E204.CG as missing WARNING: atoms too close: (T0338)K99.CG and (T0338)E204.CG only 0.000 apart, marking (T0338)E204.CG as missing WARNING: atoms too close: (T0338)I98.CG1 and (T0338)E204.CG only 0.000 apart, marking (T0338)E204.CG as missing WARNING: atoms too close: (T0338)V97.CG1 and (T0338)E204.CG only 0.000 apart, marking (T0338)E204.CG as missing WARNING: atoms too close: (T0338)H96.CG and (T0338)E204.CG only 0.000 apart, marking (T0338)E204.CG as missing WARNING: atoms too close: (T0338)E95.CG and (T0338)E204.CG only 0.000 apart, marking (T0338)E204.CG as missing WARNING: atoms too close: (T0338)L94.CG and (T0338)E204.CG only 0.000 apart, marking (T0338)E204.CG as missing WARNING: atoms too close: (T0338)K93.CG and (T0338)E204.CG only 0.000 apart, marking (T0338)E204.CG as missing WARNING: atoms too close: (T0338)R92.CG and (T0338)E204.CG only 0.000 apart, marking (T0338)E204.CG as missing WARNING: atoms too close: (T0338)Q90.CG and (T0338)E204.CG only 0.000 apart, marking (T0338)E204.CG as missing WARNING: atoms too close: (T0338)W203.O and (T0338)E204.O only 0.000 apart, marking (T0338)E204.O as missing WARNING: atoms too close: (T0338)N202.O and (T0338)E204.O only 0.000 apart, marking (T0338)E204.O as missing WARNING: atoms too close: (T0338)S201.O and (T0338)E204.O only 0.000 apart, marking (T0338)E204.O as missing WARNING: atoms too close: (T0338)W200.O and (T0338)E204.O only 0.000 apart, marking (T0338)E204.O as missing WARNING: atoms too close: (T0338)C104.O and (T0338)E204.O only 0.000 apart, marking (T0338)E204.O as missing WARNING: atoms too close: (T0338)A103.O and (T0338)E204.O only 0.000 apart, marking (T0338)E204.O as missing WARNING: atoms too close: (T0338)H102.O and (T0338)E204.O only 0.000 apart, marking (T0338)E204.O as missing WARNING: atoms too close: (T0338)A101.O and (T0338)E204.O only 0.000 apart, marking (T0338)E204.O as missing WARNING: atoms too close: (T0338)V100.O and (T0338)E204.O only 0.000 apart, marking (T0338)E204.O as missing WARNING: atoms too close: (T0338)K99.O and (T0338)E204.O only 0.000 apart, marking (T0338)E204.O as missing WARNING: atoms too close: (T0338)I98.O and (T0338)E204.O only 0.000 apart, marking (T0338)E204.O as missing WARNING: atoms too close: (T0338)V97.O and (T0338)E204.O only 0.000 apart, marking (T0338)E204.O as missing WARNING: atoms too close: (T0338)H96.O and (T0338)E204.O only 0.000 apart, marking (T0338)E204.O as missing WARNING: atoms too close: (T0338)E95.O and (T0338)E204.O only 0.000 apart, marking (T0338)E204.O as missing WARNING: atoms too close: (T0338)L94.O and (T0338)E204.O only 0.000 apart, marking (T0338)E204.O as missing WARNING: atoms too close: (T0338)K93.O and (T0338)E204.O only 0.000 apart, marking (T0338)E204.O as missing WARNING: atoms too close: (T0338)R92.O and (T0338)E204.O only 0.000 apart, marking (T0338)E204.O as missing WARNING: atoms too close: (T0338)A91.O and (T0338)E204.O only 0.000 apart, marking (T0338)E204.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)E204.O only 0.000 apart, marking (T0338)E204.O as missing WARNING: atoms too close: (T0338)W203.C and (T0338)E204.C only 0.000 apart, marking (T0338)E204.C as missing WARNING: atoms too close: (T0338)N202.C and (T0338)E204.C only 0.000 apart, marking (T0338)E204.C as missing WARNING: atoms too close: (T0338)S201.C and (T0338)E204.C only 0.000 apart, marking (T0338)E204.C as missing WARNING: atoms too close: (T0338)W200.C and (T0338)E204.C only 0.000 apart, marking (T0338)E204.C as missing WARNING: atoms too close: (T0338)C104.C and (T0338)E204.C only 0.000 apart, marking (T0338)E204.C as missing WARNING: atoms too close: (T0338)A103.C and (T0338)E204.C only 0.000 apart, marking (T0338)E204.C as missing WARNING: atoms too close: (T0338)H102.C and (T0338)E204.C only 0.000 apart, marking (T0338)E204.C as missing WARNING: atoms too close: (T0338)A101.C and (T0338)E204.C only 0.000 apart, marking (T0338)E204.C as missing WARNING: atoms too close: (T0338)V100.C and (T0338)E204.C only 0.000 apart, marking (T0338)E204.C as missing WARNING: atoms too close: (T0338)K99.C and (T0338)E204.C only 0.000 apart, marking (T0338)E204.C as missing WARNING: atoms too close: (T0338)I98.C and (T0338)E204.C only 0.000 apart, marking (T0338)E204.C as missing WARNING: atoms too close: (T0338)V97.C and (T0338)E204.C only 0.000 apart, marking (T0338)E204.C as missing WARNING: atoms too close: (T0338)H96.C and (T0338)E204.C only 0.000 apart, marking (T0338)E204.C as missing WARNING: atoms too close: (T0338)E95.C and (T0338)E204.C only 0.000 apart, marking (T0338)E204.C as missing WARNING: atoms too close: (T0338)L94.C and (T0338)E204.C only 0.000 apart, marking (T0338)E204.C as missing WARNING: atoms too close: (T0338)K93.C and (T0338)E204.C only 0.000 apart, marking (T0338)E204.C as missing WARNING: atoms too close: (T0338)R92.C and (T0338)E204.C only 0.000 apart, marking (T0338)E204.C as missing WARNING: atoms too close: (T0338)A91.C and (T0338)E204.C only 0.000 apart, marking (T0338)E204.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)E204.C only 0.000 apart, marking (T0338)E204.C as missing WARNING: atoms too close: (T0338)E204.N and (T0338)I205.N only 0.000 apart, marking (T0338)E204.N as missing WARNING: atoms too close: (T0338)W203.N and (T0338)I205.N only 0.000 apart, marking (T0338)W203.N as missing WARNING: atoms too close: (T0338)N202.N and (T0338)I205.N only 0.000 apart, marking (T0338)N202.N as missing WARNING: atoms too close: (T0338)S201.N and (T0338)I205.N only 0.000 apart, marking (T0338)S201.N as missing WARNING: atoms too close: (T0338)W200.N and (T0338)I205.N only 0.000 apart, marking (T0338)W200.N as missing WARNING: atoms too close: (T0338)C104.N and (T0338)I205.N only 0.000 apart, marking (T0338)C104.N as missing WARNING: atoms too close: (T0338)A103.N and (T0338)I205.N only 0.000 apart, marking (T0338)A103.N as missing WARNING: atoms too close: (T0338)H102.N and (T0338)I205.N only 0.000 apart, marking (T0338)H102.N as missing WARNING: atoms too close: (T0338)A101.N and (T0338)I205.N only 0.000 apart, marking (T0338)A101.N as missing WARNING: atoms too close: (T0338)V100.N and (T0338)I205.N only 0.000 apart, marking (T0338)V100.N as missing WARNING: atoms too close: (T0338)K99.N and (T0338)I205.N only 0.000 apart, marking (T0338)K99.N as missing WARNING: atoms too close: (T0338)I98.N and (T0338)I205.N only 0.000 apart, marking (T0338)I98.N as missing WARNING: atoms too close: (T0338)V97.N and (T0338)I205.N only 0.000 apart, marking (T0338)V97.N as missing WARNING: atoms too close: (T0338)H96.N and (T0338)I205.N only 0.000 apart, marking (T0338)H96.N as missing WARNING: atoms too close: (T0338)E95.N and (T0338)I205.N only 0.000 apart, marking (T0338)E95.N as missing WARNING: atoms too close: (T0338)L94.N and (T0338)I205.N only 0.000 apart, marking (T0338)L94.N as missing WARNING: atoms too close: (T0338)K93.N and (T0338)I205.N only 0.000 apart, marking (T0338)K93.N as missing WARNING: atoms too close: (T0338)R92.N and (T0338)I205.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.N and (T0338)I205.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)I205.N only 0.000 apart, marking (T0338)I205.N as missing WARNING: atoms too close: (T0338)E204.CA and (T0338)I205.CA only 0.000 apart, marking (T0338)I205.CA as missing WARNING: atoms too close: (T0338)W203.CA and (T0338)I205.CA only 0.000 apart, marking (T0338)I205.CA as missing WARNING: atoms too close: (T0338)N202.CA and (T0338)I205.CA only 0.000 apart, marking (T0338)I205.CA as missing WARNING: atoms too close: (T0338)S201.CA and (T0338)I205.CA only 0.000 apart, marking (T0338)I205.CA as missing WARNING: atoms too close: (T0338)W200.CA and (T0338)I205.CA only 0.000 apart, marking (T0338)I205.CA as missing WARNING: atoms too close: (T0338)C104.CA and (T0338)I205.CA only 0.000 apart, marking (T0338)I205.CA as missing WARNING: atoms too close: (T0338)A103.CA and (T0338)I205.CA only 0.000 apart, marking (T0338)I205.CA as missing WARNING: atoms too close: (T0338)H102.CA and (T0338)I205.CA only 0.000 apart, marking (T0338)I205.CA as missing WARNING: atoms too close: (T0338)A101.CA and (T0338)I205.CA only 0.000 apart, marking (T0338)I205.CA as missing WARNING: atoms too close: (T0338)V100.CA and (T0338)I205.CA only 0.000 apart, marking (T0338)I205.CA as missing WARNING: atoms too close: (T0338)K99.CA and (T0338)I205.CA only 0.000 apart, marking (T0338)I205.CA as missing WARNING: atoms too close: (T0338)I98.CA and (T0338)I205.CA only 0.000 apart, marking (T0338)I205.CA as missing WARNING: atoms too close: (T0338)V97.CA and (T0338)I205.CA only 0.000 apart, marking (T0338)I205.CA as missing WARNING: atoms too close: (T0338)H96.CA and (T0338)I205.CA only 0.000 apart, marking (T0338)I205.CA as missing WARNING: atoms too close: (T0338)E95.CA and (T0338)I205.CA only 0.000 apart, marking (T0338)I205.CA as missing WARNING: atoms too close: (T0338)L94.CA and (T0338)I205.CA only 0.000 apart, marking (T0338)I205.CA as missing WARNING: atoms too close: (T0338)K93.CA and (T0338)I205.CA only 0.000 apart, marking (T0338)I205.CA as missing WARNING: atoms too close: (T0338)R92.CA and (T0338)I205.CA only 0.000 apart, marking (T0338)I205.CA as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)I205.CA only 0.000 apart, marking (T0338)I205.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)I205.CA only 0.000 apart, marking (T0338)I205.CA as missing WARNING: atoms too close: (T0338)E204.CB and (T0338)I205.CB only 0.000 apart, marking (T0338)I205.CB as missing WARNING: atoms too close: (T0338)W203.CB and (T0338)I205.CB only 0.000 apart, marking (T0338)I205.CB as missing WARNING: atoms too close: (T0338)N202.CB and (T0338)I205.CB only 0.000 apart, marking (T0338)I205.CB as missing WARNING: atoms too close: (T0338)S201.CB and (T0338)I205.CB only 0.000 apart, marking (T0338)I205.CB as missing WARNING: atoms too close: (T0338)W200.CB and (T0338)I205.CB only 0.000 apart, marking (T0338)I205.CB as missing WARNING: atoms too close: (T0338)C104.CB and (T0338)I205.CB only 0.000 apart, marking (T0338)I205.CB as missing WARNING: atoms too close: (T0338)A103.CB and (T0338)I205.CB only 0.000 apart, marking (T0338)I205.CB as missing WARNING: atoms too close: (T0338)H102.CB and (T0338)I205.CB only 0.000 apart, marking (T0338)I205.CB as missing WARNING: atoms too close: (T0338)A101.CB and (T0338)I205.CB only 0.000 apart, marking (T0338)I205.CB as missing WARNING: atoms too close: (T0338)V100.CB and (T0338)I205.CB only 0.000 apart, marking (T0338)I205.CB as missing WARNING: atoms too close: (T0338)K99.CB and (T0338)I205.CB only 0.000 apart, marking (T0338)I205.CB as missing WARNING: atoms too close: (T0338)I98.CB and (T0338)I205.CB only 0.000 apart, marking (T0338)I205.CB as missing WARNING: atoms too close: (T0338)V97.CB and (T0338)I205.CB only 0.000 apart, marking (T0338)I205.CB as missing WARNING: atoms too close: (T0338)H96.CB and (T0338)I205.CB only 0.000 apart, marking (T0338)I205.CB as missing WARNING: atoms too close: (T0338)E95.CB and (T0338)I205.CB only 0.000 apart, marking (T0338)I205.CB as missing WARNING: atoms too close: (T0338)L94.CB and (T0338)I205.CB only 0.000 apart, marking (T0338)I205.CB as missing WARNING: atoms too close: (T0338)K93.CB and (T0338)I205.CB only 0.000 apart, marking (T0338)I205.CB as missing WARNING: atoms too close: (T0338)R92.CB and (T0338)I205.CB only 0.000 apart, marking (T0338)I205.CB as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)I205.CB only 0.000 apart, marking (T0338)I205.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)I205.CB only 0.000 apart, marking (T0338)I205.CB as missing WARNING: atoms too close: (T0338)E204.CG and (T0338)I205.CG1 only 0.000 apart, marking (T0338)I205.CG1 as missing WARNING: atoms too close: (T0338)W203.CG and (T0338)I205.CG1 only 0.000 apart, marking (T0338)I205.CG1 as missing WARNING: atoms too close: (T0338)N202.CG and (T0338)I205.CG1 only 0.000 apart, marking (T0338)I205.CG1 as missing WARNING: atoms too close: (T0338)W200.CG and (T0338)I205.CG1 only 0.000 apart, marking (T0338)I205.CG1 as missing WARNING: atoms too close: (T0338)H102.CG and (T0338)I205.CG1 only 0.000 apart, marking (T0338)I205.CG1 as missing WARNING: atoms too close: (T0338)V100.CG1 and (T0338)I205.CG1 only 0.000 apart, marking (T0338)I205.CG1 as missing WARNING: atoms too close: (T0338)K99.CG and (T0338)I205.CG1 only 0.000 apart, marking (T0338)I205.CG1 as missing WARNING: atoms too close: (T0338)I98.CG1 and (T0338)I205.CG1 only 0.000 apart, marking (T0338)I205.CG1 as missing WARNING: atoms too close: (T0338)V97.CG1 and (T0338)I205.CG1 only 0.000 apart, marking (T0338)I205.CG1 as missing WARNING: atoms too close: (T0338)H96.CG and (T0338)I205.CG1 only 0.000 apart, marking (T0338)I205.CG1 as missing WARNING: atoms too close: (T0338)E95.CG and (T0338)I205.CG1 only 0.000 apart, marking (T0338)I205.CG1 as missing WARNING: atoms too close: (T0338)L94.CG and (T0338)I205.CG1 only 0.000 apart, marking (T0338)I205.CG1 as missing WARNING: atoms too close: (T0338)K93.CG and (T0338)I205.CG1 only 0.000 apart, marking (T0338)I205.CG1 as missing WARNING: atoms too close: (T0338)R92.CG and (T0338)I205.CG1 only 0.000 apart, marking (T0338)I205.CG1 as missing WARNING: atoms too close: (T0338)Q90.CG and (T0338)I205.CG1 only 0.000 apart, marking (T0338)I205.CG1 as missing WARNING: atoms too close: (T0338)E204.O and (T0338)I205.O only 0.000 apart, marking (T0338)I205.O as missing WARNING: atoms too close: (T0338)W203.O and (T0338)I205.O only 0.000 apart, marking (T0338)I205.O as missing WARNING: atoms too close: (T0338)N202.O and (T0338)I205.O only 0.000 apart, marking (T0338)I205.O as missing WARNING: atoms too close: (T0338)S201.O and (T0338)I205.O only 0.000 apart, marking (T0338)I205.O as missing WARNING: atoms too close: (T0338)W200.O and (T0338)I205.O only 0.000 apart, marking (T0338)I205.O as missing WARNING: atoms too close: (T0338)C104.O and (T0338)I205.O only 0.000 apart, marking (T0338)I205.O as missing WARNING: atoms too close: (T0338)A103.O and (T0338)I205.O only 0.000 apart, marking (T0338)I205.O as missing WARNING: atoms too close: (T0338)H102.O and (T0338)I205.O only 0.000 apart, marking (T0338)I205.O as missing WARNING: atoms too close: (T0338)A101.O and (T0338)I205.O only 0.000 apart, marking (T0338)I205.O as missing WARNING: atoms too close: (T0338)V100.O and (T0338)I205.O only 0.000 apart, marking (T0338)I205.O as missing WARNING: atoms too close: (T0338)K99.O and (T0338)I205.O only 0.000 apart, marking (T0338)I205.O as missing WARNING: atoms too close: (T0338)I98.O and (T0338)I205.O only 0.000 apart, marking (T0338)I205.O as missing WARNING: atoms too close: (T0338)V97.O and (T0338)I205.O only 0.000 apart, marking (T0338)I205.O as missing WARNING: atoms too close: (T0338)H96.O and (T0338)I205.O only 0.000 apart, marking (T0338)I205.O as missing WARNING: atoms too close: (T0338)E95.O and (T0338)I205.O only 0.000 apart, marking (T0338)I205.O as missing WARNING: atoms too close: (T0338)L94.O and (T0338)I205.O only 0.000 apart, marking (T0338)I205.O as missing WARNING: atoms too close: (T0338)K93.O and (T0338)I205.O only 0.000 apart, marking (T0338)I205.O as missing WARNING: atoms too close: (T0338)R92.O and (T0338)I205.O only 0.000 apart, marking (T0338)I205.O as missing WARNING: atoms too close: (T0338)A91.O and (T0338)I205.O only 0.000 apart, marking (T0338)I205.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)I205.O only 0.000 apart, marking (T0338)I205.O as missing WARNING: atoms too close: (T0338)E204.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)W203.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)N202.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)S201.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)W200.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)C104.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)A103.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)H102.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)A101.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)V100.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)K99.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)I98.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)V97.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)H96.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)E95.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)L94.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)K93.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)R92.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)A91.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)I205.N and (T0338)P206.N only 0.000 apart, marking (T0338)I205.N as missing WARNING: atoms too close: (T0338)E204.N and (T0338)P206.N only 0.000 apart, marking (T0338)E204.N as missing WARNING: atoms too close: (T0338)W203.N and (T0338)P206.N only 0.000 apart, marking (T0338)W203.N as missing WARNING: atoms too close: (T0338)N202.N and (T0338)P206.N only 0.000 apart, marking (T0338)N202.N as missing WARNING: atoms too close: (T0338)S201.N and (T0338)P206.N only 0.000 apart, marking (T0338)S201.N as missing WARNING: atoms too close: (T0338)W200.N and (T0338)P206.N only 0.000 apart, marking (T0338)W200.N as missing WARNING: atoms too close: (T0338)C104.N and (T0338)P206.N only 0.000 apart, marking (T0338)C104.N as missing WARNING: atoms too close: (T0338)A103.N and (T0338)P206.N only 0.000 apart, marking (T0338)A103.N as missing WARNING: atoms too close: (T0338)H102.N and (T0338)P206.N only 0.000 apart, marking (T0338)H102.N as missing WARNING: atoms too close: (T0338)A101.N and (T0338)P206.N only 0.000 apart, marking (T0338)A101.N as missing WARNING: atoms too close: (T0338)V100.N and (T0338)P206.N only 0.000 apart, marking (T0338)V100.N as missing WARNING: atoms too close: (T0338)K99.N and (T0338)P206.N only 0.000 apart, marking (T0338)K99.N as missing WARNING: atoms too close: (T0338)I98.N and (T0338)P206.N only 0.000 apart, marking (T0338)I98.N as missing WARNING: atoms too close: (T0338)V97.N and (T0338)P206.N only 0.000 apart, marking (T0338)V97.N as missing WARNING: atoms too close: (T0338)H96.N and (T0338)P206.N only 0.000 apart, marking (T0338)H96.N as missing WARNING: atoms too close: (T0338)E95.N and (T0338)P206.N only 0.000 apart, marking (T0338)E95.N as missing WARNING: atoms too close: (T0338)L94.N and (T0338)P206.N only 0.000 apart, marking (T0338)L94.N as missing WARNING: atoms too close: (T0338)K93.N and (T0338)P206.N only 0.000 apart, marking (T0338)K93.N as missing WARNING: atoms too close: (T0338)R92.N and (T0338)P206.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.N and (T0338)P206.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)P206.N only 0.000 apart, marking (T0338)P206.N as missing WARNING: atoms too close: (T0338)I205.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)E204.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)W203.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)N202.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)S201.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)W200.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)C104.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)A103.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)H102.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)A101.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)V100.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)K99.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)I98.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)V97.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)H96.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)E95.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)L94.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)K93.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)R92.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)I205.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)E204.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)W203.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)N202.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)S201.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)W200.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)C104.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)A103.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)H102.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)A101.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)V100.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)K99.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)I98.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)V97.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)H96.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)E95.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)L94.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)K93.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)R92.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)I205.CG1 and (T0338)P206.CG only 0.000 apart, marking (T0338)P206.CG as missing WARNING: atoms too close: (T0338)E204.CG and (T0338)P206.CG only 0.000 apart, marking (T0338)P206.CG as missing WARNING: atoms too close: (T0338)W203.CG and (T0338)P206.CG only 0.000 apart, marking (T0338)P206.CG as missing WARNING: atoms too close: (T0338)N202.CG and (T0338)P206.CG only 0.000 apart, marking (T0338)P206.CG as missing WARNING: atoms too close: (T0338)W200.CG and (T0338)P206.CG only 0.000 apart, marking (T0338)P206.CG as missing WARNING: atoms too close: (T0338)H102.CG and (T0338)P206.CG only 0.000 apart, marking (T0338)P206.CG as missing WARNING: atoms too close: (T0338)V100.CG1 and (T0338)P206.CG only 0.000 apart, marking (T0338)P206.CG as missing WARNING: atoms too close: (T0338)K99.CG and (T0338)P206.CG only 0.000 apart, marking (T0338)P206.CG as missing WARNING: atoms too close: (T0338)I98.CG1 and (T0338)P206.CG only 0.000 apart, marking (T0338)P206.CG as missing WARNING: atoms too close: (T0338)V97.CG1 and (T0338)P206.CG only 0.000 apart, marking (T0338)P206.CG as missing WARNING: atoms too close: (T0338)H96.CG and (T0338)P206.CG only 0.000 apart, marking (T0338)P206.CG as missing WARNING: atoms too close: (T0338)E95.CG and (T0338)P206.CG only 0.000 apart, marking (T0338)P206.CG as missing WARNING: atoms too close: (T0338)L94.CG and (T0338)P206.CG only 0.000 apart, marking (T0338)P206.CG as missing WARNING: atoms too close: (T0338)K93.CG and (T0338)P206.CG only 0.000 apart, marking (T0338)P206.CG as missing WARNING: atoms too close: (T0338)R92.CG and (T0338)P206.CG only 0.000 apart, marking (T0338)P206.CG as missing WARNING: atoms too close: (T0338)Q90.CG and (T0338)P206.CG only 0.000 apart, marking (T0338)P206.CG as missing WARNING: atoms too close: (T0338)I205.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)E204.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)W203.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)N202.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)S201.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)W200.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)C104.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)A103.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)H102.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)A101.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)V100.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)K99.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)I98.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)V97.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)H96.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)E95.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)L94.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)K93.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)R92.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)A91.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)I205.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)E204.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)W203.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)N202.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)S201.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)W200.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)C104.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)A103.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)H102.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)A101.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)V100.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)K99.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)I98.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)V97.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)H96.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)E95.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)L94.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)K93.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)R92.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)A91.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)P206.N and (T0338)V207.N only 0.000 apart, marking (T0338)P206.N as missing WARNING: atoms too close: (T0338)I205.N and (T0338)V207.N only 0.000 apart, marking (T0338)I205.N as missing WARNING: atoms too close: (T0338)E204.N and (T0338)V207.N only 0.000 apart, marking (T0338)E204.N as missing WARNING: atoms too close: (T0338)W203.N and (T0338)V207.N only 0.000 apart, marking (T0338)W203.N as missing WARNING: atoms too close: (T0338)N202.N and (T0338)V207.N only 0.000 apart, marking (T0338)N202.N as missing WARNING: atoms too close: (T0338)S201.N and (T0338)V207.N only 0.000 apart, marking (T0338)S201.N as missing WARNING: atoms too close: (T0338)W200.N and (T0338)V207.N only 0.000 apart, marking (T0338)W200.N as missing WARNING: atoms too close: (T0338)C104.N and (T0338)V207.N only 0.000 apart, marking (T0338)C104.N as missing WARNING: atoms too close: (T0338)A103.N and (T0338)V207.N only 0.000 apart, marking (T0338)A103.N as missing WARNING: atoms too close: (T0338)H102.N and (T0338)V207.N only 0.000 apart, marking (T0338)H102.N as missing WARNING: atoms too close: (T0338)A101.N and (T0338)V207.N only 0.000 apart, marking (T0338)A101.N as missing WARNING: atoms too close: (T0338)V100.N and (T0338)V207.N only 0.000 apart, marking (T0338)V100.N as missing WARNING: atoms too close: (T0338)K99.N and (T0338)V207.N only 0.000 apart, marking (T0338)K99.N as missing WARNING: atoms too close: (T0338)I98.N and (T0338)V207.N only 0.000 apart, marking (T0338)I98.N as missing WARNING: atoms too close: (T0338)V97.N and (T0338)V207.N only 0.000 apart, marking (T0338)V97.N as missing WARNING: atoms too close: (T0338)H96.N and (T0338)V207.N only 0.000 apart, marking (T0338)H96.N as missing WARNING: atoms too close: (T0338)E95.N and (T0338)V207.N only 0.000 apart, marking (T0338)E95.N as missing WARNING: atoms too close: (T0338)L94.N and (T0338)V207.N only 0.000 apart, marking (T0338)L94.N as missing WARNING: atoms too close: (T0338)K93.N and (T0338)V207.N only 0.000 apart, marking (T0338)K93.N as missing WARNING: atoms too close: (T0338)R92.N and (T0338)V207.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.N and (T0338)V207.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)V207.N only 0.000 apart, marking (T0338)V207.N as missing WARNING: atoms too close: (T0338)P206.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)I205.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)E204.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)W203.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)N202.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)S201.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)W200.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)C104.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)A103.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)H102.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)A101.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)V100.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)K99.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)I98.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)V97.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)H96.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)E95.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)L94.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)K93.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)R92.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)P206.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)I205.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)E204.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)W203.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)N202.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)S201.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)W200.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)C104.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)A103.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)H102.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)A101.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)V100.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)K99.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)I98.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)V97.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)H96.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)E95.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)L94.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)K93.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)R92.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)P206.CG and (T0338)V207.CG1 only 0.000 apart, marking (T0338)V207.CG1 as missing WARNING: atoms too close: (T0338)I205.CG1 and (T0338)V207.CG1 only 0.000 apart, marking (T0338)V207.CG1 as missing WARNING: atoms too close: (T0338)E204.CG and (T0338)V207.CG1 only 0.000 apart, marking (T0338)V207.CG1 as missing WARNING: atoms too close: (T0338)W203.CG and (T0338)V207.CG1 only 0.000 apart, marking (T0338)V207.CG1 as missing WARNING: atoms too close: (T0338)N202.CG and (T0338)V207.CG1 only 0.000 apart, marking (T0338)V207.CG1 as missing WARNING: atoms too close: (T0338)W200.CG and (T0338)V207.CG1 only 0.000 apart, marking (T0338)V207.CG1 as missing WARNING: atoms too close: (T0338)H102.CG and (T0338)V207.CG1 only 0.000 apart, marking (T0338)V207.CG1 as missing WARNING: atoms too close: (T0338)V100.CG1 and (T0338)V207.CG1 only 0.000 apart, marking (T0338)V207.CG1 as missing WARNING: atoms too close: (T0338)K99.CG and (T0338)V207.CG1 only 0.000 apart, marking (T0338)V207.CG1 as missing WARNING: atoms too close: (T0338)I98.CG1 and (T0338)V207.CG1 only 0.000 apart, marking (T0338)V207.CG1 as missing WARNING: atoms too close: (T0338)V97.CG1 and (T0338)V207.CG1 only 0.000 apart, marking (T0338)V207.CG1 as missing WARNING: atoms too close: (T0338)H96.CG and (T0338)V207.CG1 only 0.000 apart, marking (T0338)V207.CG1 as missing WARNING: atoms too close: (T0338)E95.CG and (T0338)V207.CG1 only 0.000 apart, marking (T0338)V207.CG1 as missing WARNING: atoms too close: (T0338)L94.CG and (T0338)V207.CG1 only 0.000 apart, marking (T0338)V207.CG1 as missing WARNING: atoms too close: (T0338)K93.CG and (T0338)V207.CG1 only 0.000 apart, marking (T0338)V207.CG1 as missing WARNING: atoms too close: (T0338)R92.CG and (T0338)V207.CG1 only 0.000 apart, marking (T0338)V207.CG1 as missing WARNING: atoms too close: (T0338)Q90.CG and (T0338)V207.CG1 only 0.000 apart, marking (T0338)V207.CG1 as missing WARNING: atoms too close: (T0338)P206.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)I205.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)E204.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)W203.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)N202.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)S201.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)W200.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)C104.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)A103.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)H102.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)A101.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)V100.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)K99.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)I98.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)V97.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)H96.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)E95.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)L94.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)K93.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)R92.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)A91.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)P206.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)I205.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)E204.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)W203.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)N202.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)S201.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)W200.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)C104.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)A103.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)H102.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)A101.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)V100.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)K99.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)I98.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)V97.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)H96.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)E95.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)L94.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)K93.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)R92.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)A91.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing # WARNING: incomplete conformation T0338 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 T0338 can't currently be optimized by undertaker # naming current conformation shub_TS1 # command:Using radius: 8.0000 Using models AND alignments for constraints model score -0.2492 model score -0.2592 model score -0.2977 model score -0.2936 model score -0.1967 model score -0.3442 model score -0.3506 model score -0.3438 model score -0.2842 model score -0.3537 model score -0.2866 model score -0.2854 model score -0.2753 model score -0.2412 model score -0.3515 model score -0.2389 model score -0.2606 model score -0.1101 model score -0.2785 model score -0.0703 model score 1.3172 model score 1.5271 model score 1.4817 model score 1.4535 model score 1.3022 model score -0.2911 model score -0.0351 model score -0.3479 model score -0.3277 model score -0.3316 model score -0.3215 model score -0.2409 model score -0.2104 model score -0.1592 model score 0.0515 model score 0.1576 model score 0.7069 model score -0.2629 model score -0.4308 model score -0.2355 model score -0.4297 model score -0.3509 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score -0.1884 model score -0.2894 model score -0.2172 model score -0.1592 model score -0.2046 model score -0.2456 model score -0.1592 model score -0.1592 model score -0.2104 model score 0.0515 model score -0.3546 model score -0.2925 model score -0.1354 model score -0.2785 model score -0.1331 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 2.4551 model score 2.1390 model score 2.2556 model score 2.4217 model score 2.2926 model score -0.3690 model score -0.1485 model score -0.1420 model score -0.1369 model score 2.3413 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score -0.2130 model score 0.1863 model score -0.1822 model score -0.1969 model score 0.2035 model score 0.0105 model score 1.5097 model score -0.2776 model score -0.3492 model score -0.1097 model score -0.2567 model score -0.0824 model score -0.2511 model score -0.2544 model score -0.2410 model score 1.7481 model score -0.0856 model score 1.7131 model score 0.9633 model score 2.0461 model score -0.1391 model score -0.0386 model score 0.0535 model score -0.1530 model score -0.1396 model score 1.2771 model score -0.1766 model score -0.2514 model score -0.1102 model score -0.2191 model score 1.6646 model score -0.1817 model score -0.1970 model score -0.1102 model score -0.3976 model score 1.7322 model score -0.4364 model score -0.4980 model score -0.3837 model score -0.4205 model score -0.3387 model score -0.1391 model score 1.2761 model score 1.2799 model score 1.2770 model score 1.2798 model score 1.2791 model score -0.2819 model score -0.2860 model score -0.3281 model score -0.3561 model score -0.3768 model score -0.1662 model score -0.1481 model score -0.3841 model score -0.2073 model score -0.3319 model score -0.3926 model score -0.4217 model score -0.3084 model score -0.4328 model score -0.2749 model score -0.4275 model score 0.0696 model score 0.0262 model score 0.0696 model score 0.0960 model score 0.0567 model score -0.4168 model score -0.3741 model score -0.3944 model score -0.4092 model score -0.3322 model score -0.4341 model score -0.4112 model score -0.4231 model score -0.4420 model score -0.4388 model score -0.2303 model score -0.1648 model score -0.2863 model score -0.3064 model score 0.0204 model score -0.2845 model score -0.1932 model score -0.3337 model score -0.3516 model score 0.0016 model score -0.4092 model score -0.4455 model score -0.3944 model score -0.3996 model score -0.4168 model score -0.3139 model score -0.3294 model score -0.3291 model score -0.3075 model score -0.3090 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score -0.1713 model score -0.4603 model score -0.5404 model score -0.3225 model score -0.1603 model score -0.2658 model score -0.2024 model score -0.2105 model score -0.3554 model score -0.2011 model score -0.2978 model score -0.1942 model score -0.2358 model score -0.1935 model score -0.3085 model score -0.2340 model score -0.1834 model score -0.3632 model score -0.2018 model score -0.2881 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score -0.2244 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score -0.4059 model score -0.3909 model score -0.3962 model score -0.3688 model score -0.4269 model score -0.3292 model score -0.2718 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.3812 model score 1.5027 model score 1.4275 model score 1.4190 model score 1.4491 model score 2.0665 model score 2.2644 model score 2.7680 model score 2.5606 model score -0.0842 model score -0.0343 model score -0.2731 model score 0.2782 model score 0.2620 model score -0.2861 model score -0.4486 model score -0.2604 model score -0.2081 model score -0.3373 model score -0.0853 model score -0.0851 model score -0.3130 model score -0.0764 model score -0.1928 model score -0.1641 model score -0.3432 model score -0.3220 USE_META, weight: 0.9208 cost: -0.2492 min: -0.5404 max: 2.7680 USE_META, weight: 0.9235 cost: -0.2592 min: -0.5404 max: 2.7680 USE_META, weight: 0.9340 cost: -0.2977 min: -0.5404 max: 2.7680 USE_META, weight: 0.9329 cost: -0.2936 min: -0.5404 max: 2.7680 USE_META, weight: 0.9065 cost: -0.1967 min: -0.5404 max: 2.7680 USE_META, weight: 0.9466 cost: -0.3442 min: -0.5404 max: 2.7680 USE_META, weight: 0.9484 cost: -0.3506 min: -0.5404 max: 2.7680 USE_META, weight: 0.9465 cost: -0.3438 min: -0.5404 max: 2.7680 USE_META, weight: 0.9303 cost: -0.2842 min: -0.5404 max: 2.7680 USE_META, weight: 0.9492 cost: -0.3537 min: -0.5404 max: 2.7680 USE_META, weight: 0.9309 cost: -0.2866 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0.4619 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 0.4619 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 0.1050 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 0.1050 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 0.1050 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 0.9171 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 0.9171 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 0.9171 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 0.9884 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 0.9884 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 0.9884 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 0.9823 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 0.9823 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 0.9823 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 0.0000 Number of contacts in models: 270 Number of contacts in alignments: 42 NUMB_ALIGNS: 42 Adding 9512 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: -440.6721, CN propb: -440.6721 weights: 0.4222 constraints: 461 # command:Found ConstraintSet # PrintContacts align.constraints_meta03 Number of constraints in align3.constraints 461 # command:Found ConstraintSet # PrintContacts align_bonus.constraints_meta03 Number of constraints in align3.constraints.bonus 461 # command:Found ConstraintSet # PrintContacts rejected.constraints_meta03 Number of constraints in rejected3.constraints 9051 # command:Found ConstraintSet # PrintContacts rejected_bonus.constraints_meta03 Number of constraints in rejected3.constraints.bonus 9051 # 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 9512 # command: