# 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/T0331/ # command:# Making conformation for sequence T0331 numbered 1 through 149 Created new target T0331 from T0331.a2m # command:# Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0331/ # command:Warning: Couldn't open file /projects/compbio/experiments/protein-predict/casp7/T0331//projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0331/manyalignments-good-all.under or /projects/compbio/experiments/protein-predict/casp7/T0331//projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0331/manyalignments-good-all.under.gz for input Trying /projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0331/manyalignments-good-all.under # reading script from file /projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0331/manyalignments-good-all.under # Reading fragments from alignment file # Attempting to read fragment alignments from file 1g79A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1g79A expands to /projects/compbio/data/pdb/1g79.pdb.gz 1g79A:Skipped atom 805, because occupancy 0.5 <= existing 0.500 in 1g79A Skipped atom 807, because occupancy 0.500 <= existing 0.500 in 1g79A Skipped atom 809, because occupancy 0.500 <= existing 0.500 in 1g79A Skipped atom 811, because occupancy 0.500 <= existing 0.500 in 1g79A Skipped atom 1326, because occupancy 0.500 <= existing 0.500 in 1g79A Skipped atom 1328, because occupancy 0.500 <= existing 0.500 in 1g79A Skipped atom 1330, because occupancy 0.500 <= existing 0.500 in 1g79A Skipped atom 1332, because occupancy 0.500 <= existing 0.500 in 1g79A Skipped atom 1334, because occupancy 0.500 <= existing 0.500 in 1g79A # T0331 read from 1g79A/merged-good-all-a2m # 1g79A read from 1g79A/merged-good-all-a2m # adding 1g79A to template set # found chain 1g79A in template set T0331 4 :KDIMHILEDM 1g79A 29 :ADPLTLFERW # choosing archetypes in rotamer library T0331 15 :VGVFATLDEYGNPHARHAHITAANEEGIFFMTSPETHFYDQLMGDQRVAMTAISEEGYL 1g79A 52 :AMVVATVDEHGQPYQRIVLLKHYDEKGMVFYTNLGSRKAHQIENNPRVSLLFPWHTLER T0331 76 :VVRVEGTARPVENDYLKTVFADNP 1g79A 111 :QVMVIGKAERLSTLEVMKYFHSRP T0331 101 :YQHIYKDES 1g79A 163 :LKQKFQQGE T0331 111 :DTMQVFQIYAGHGFYH 1g79A 176 :SFWGGFRVSLEQIEFW T0331 127 :SLTQGHKYIFSIG 1g79A 193 :GGEHRLHDRFLYQ Number of specific fragments extracted= 6 number of extra gaps= 0 total=6 Number of alignments=1 # 1g79A read from 1g79A/merged-good-all-a2m # found chain 1g79A in template set T0331 4 :KDIMHIL 1g79A 36 :ERWLSQA T0331 11 :EDMK 1g79A 45 :AKLA T0331 15 :VGVFATLDEYGNPHARHAHITAANEEGIFFMTSPETHFYDQLMGDQRVAMTAISEE 1g79A 52 :AMVVATVDEHGQPYQRIVLLKHYDEKGMVFYTNLGSRKAHQIENNPRVSLLFPWHT T0331 73 :LIQVVRVEGTARPVENDYLKTVFADNP 1g79A 108 :LERQVMVIGKAERLSTLEVMKYFHSRP T0331 100 :YYQHIYKDESSD 1g79A 162 :ELKQKFQQGEVP T0331 112 :TMQVFQIYAGHGFYHSLTQG 1g79A 177 :FWGGFRVSLEQIEFWQGGEH T0331 132 :HKYIFSIGQGE 1g79A 200 :DRFLYQRENDA Number of specific fragments extracted= 7 number of extra gaps= 0 total=13 Number of alignments=2 # 1g79A read from 1g79A/merged-good-all-a2m # found chain 1g79A in template set T0331 1 :MELKDIMHILEDMKVGVFATLDEYGNPHARHAHITAANEEGIFFMTSPETHFYDQLMGDQRVAMTAISEE 1g79A 38 :WLSQACEAKLADPTAMVVATVDEHGQPYQRIVLLKHYDEKGMVFYTNLGSRKAHQIENNPRVSLLFPWHT T0331 73 :LIQVVRVEGTARPVENDYLKTVFADNPYYQHIYKDESSDTMQVFQIYAGHGFYHSLTQGHKYIFSIGQGEHSEVRA 1g79A 108 :LERQVMVIGKAERLSTLEVMKYFHSRPRDSQIGAWVSKQSSRISARGILESKFLELKQKFQQGEVPLPSFWGGFRV Number of specific fragments extracted= 2 number of extra gaps= 0 total=15 Number of alignments=3 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1flmA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0331 read from 1flmA/merged-good-all-a2m # 1flmA read from 1flmA/merged-good-all-a2m # found chain 1flmA in training set T0331 4 :KDIMHILEDMKVGVFATLDE 1flmA 4 :GTFFEVLKNEGVVAIATQGE T0331 25 :GNPHA 1flmA 24 :DGPHL T0331 30 :RHAHITAANEEGIFFMTSPETHFYDQLMGDQRVAMTAISEE 1flmA 32 :WNSYLKVLDGNRIVVPVGGMHKTEANVARDERVLMTLGSRK T0331 71 :GYLIQVVRVEGTARPVE 1flmA 77 :NGPGTGFLIRGSAAFRT T0331 97 :DNPYYQHIYKDESSDTMQVFQIYA 1flmA 94 :DGPEFEAIARFKWARAALVITVVS Number of specific fragments extracted= 5 number of extra gaps= 0 total=20 Number of alignments=4 # 1flmA read from 1flmA/merged-good-all-a2m # found chain 1flmA in training set T0331 4 :KDIMHILEDMKVGVFATLDE 1flmA 4 :GTFFEVLKNEGVVAIATQGE T0331 25 :GNPHARHAH 1flmA 24 :DGPHLVNTW T0331 34 :ITAANEEGIFFMTSPETHFYDQLMGDQRVAMTAISE 1flmA 36 :LKVLDGNRIVVPVGGMHKTEANVARDERVLMTLGSR T0331 70 :EG 1flmA 77 :NG T0331 73 :LIQVVRVEGTARPVENDYLKTVFADN 1flmA 79 :PGTGFLIRGSAAFRTDGPEFEAIARF T0331 108 :ESSDTMQVFQIYAGH 1flmA 105 :KWARAALVITVVSAE Number of specific fragments extracted= 6 number of extra gaps= 0 total=26 Number of alignments=5 # 1flmA read from 1flmA/merged-good-all-a2m # found chain 1flmA in training set T0331 4 :KDIMHILEDMKVGVFATLDE 1flmA 4 :GTFFEVLKNEGVVAIATQGE T0331 25 :GNPHARHAH 1flmA 24 :DGPHLVNTW T0331 34 :ITAANEEGIFFMTSPETHFYDQLMGDQRVAMTA 1flmA 36 :LKVLDGNRIVVPVGGMHKTEANVARDERVLMTL T0331 67 :ISEEGYLIQVVRVEGTARPVENDYLKTVFADNPYY 1flmA 73 :VAGRNGPGTGFLIRGSAAFRTDGPEFEAIARFKWA Number of specific fragments extracted= 4 number of extra gaps= 0 total=30 Number of alignments=6 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1w3oA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0331 read from 1w3oA/merged-good-all-a2m # 1w3oA read from 1w3oA/merged-good-all-a2m # found chain 1w3oA in training set Warning: unaligning (T0331)S127 because of BadResidue code BAD_PEPTIDE in next template residue (1w3oA)N175 Warning: unaligning (T0331)L128 because of BadResidue code BAD_PEPTIDE at template residue (1w3oA)N175 T0331 2 :ELKDIMHILEDMKVGVFATL 1w3oA 23 :SDEWIRELLLRGTIARVATL T0331 22 :DEYGN 1w3oA 45 :GEDGA T0331 27 :PHARHAHITAANEEGIFFMTSPETH 1w3oA 52 :PFITPLAYAYRPEQGDLVYHTNVVG T0331 58 :GDQ 1w3oA 82 :AGQ T0331 61 :RVAMTAISEEGYL 1w3oA 87 :PATLEVSEIGQFL T0331 74 :IQVVRVEGTARPVENDYLKTVFADN 1w3oA 111 :YRSVMVFGTARVLAGEDARAALTTL T0331 101 :YQHIYKD 1w3oA 136 :SERVFPG T0331 108 :ESSDT 1w3oA 148 :TTRPI T0331 113 :MQVFQIYAGHGFYH 1w3oA 160 :TSVYSLSIDRWSGK T0331 129 :TQGH 1w3oA 176 :WAEQ Number of specific fragments extracted= 10 number of extra gaps= 1 total=40 Number of alignments=7 # 1w3oA read from 1w3oA/merged-good-all-a2m # found chain 1w3oA in training set Warning: unaligning (T0331)S127 because of BadResidue code BAD_PEPTIDE in next template residue (1w3oA)N175 Warning: unaligning (T0331)L128 because of BadResidue code BAD_PEPTIDE at template residue (1w3oA)N175 T0331 2 :ELKDIMHILEDMKVGVFATL 1w3oA 23 :SDEWIRELLLRGTIARVATL T0331 22 :DEYGN 1w3oA 45 :GEDGA T0331 27 :PHARHAHITAANE 1w3oA 52 :PFITPLAYAYRPE T0331 40 :EGIFFMTS 1w3oA 66 :GDLVYHTN T0331 48 :PETH 1w3oA 81 :NAGQ T0331 61 :RVAMTAISE 1w3oA 87 :PATLEVSEI T0331 70 :EGYLIQV 1w3oA 105 :LELSVQY T0331 77 :VRVEGTARPVENDYLKTVFA 1w3oA 114 :VMVFGTARVLAGEDARAALT T0331 100 :YYQHIYKDE 1w3oA 134 :TLSERVFPG T0331 114 :QVFQIYAGHGFYH 1w3oA 161 :SVYSLSIDRWSGK T0331 129 :TQGH 1w3oA 176 :WAEQ Number of specific fragments extracted= 11 number of extra gaps= 1 total=51 Number of alignments=8 # 1w3oA read from 1w3oA/merged-good-all-a2m # found chain 1w3oA in training set T0331 3 :LKDIMHILEDMKVGVFATL 1w3oA 24 :DEWIRELLLRGTIARVATL T0331 22 :DEYGNPHARHAHIT 1w3oA 45 :GEDGAAFPFITPLA T0331 36 :AANEEGIFFMTSPETHFY 1w3oA 62 :RPEQGDLVYHTNVVGRLR T0331 58 :GDQ 1w3oA 80 :ANA T0331 61 :RVAMTA 1w3oA 87 :PATLEV T0331 68 :SEEG 1w3oA 102 :NSPL T0331 72 :YLIQVVRVEGTARPVENDYLKTVFADNPYYQHIYKDESSDTMQVFQIYA 1w3oA 109 :VQYRSVMVFGTARVLAGEDARAALTTLSERVFPGLKVGETTRPISEDDL Number of specific fragments extracted= 7 number of extra gaps= 0 total=58 Number of alignments=9 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1vl7A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0331 read from 1vl7A/merged-good-all-a2m # 1vl7A read from 1vl7A/merged-good-all-a2m # found chain 1vl7A in training set T0331 7 :MHILEDMKVGVFATLDEYGNPHARHAHITAANEEGIFFMTSPETHFYDQLMGDQRVAMTAISEEG 1vl7A 12 :AGFIQEFQSAIISTISEQGIPNGSYAPFVIDDAKNIYIYVSGLAVHTKNIEANPLVNVLFVDDEA T0331 74 :IQVVRVEGTARPVENDYLKTVFAD 1vl7A 86 :RLSFDCTATLIERESQKWNQVVDQ T0331 101 :YQHIYKDE 1vl7A 110 :FQERFGQI T0331 110 :SDTMQVFQIYAGHGFYH 1vl7A 124 :LADFRIFQLTPKEGRFV Number of specific fragments extracted= 4 number of extra gaps= 0 total=62 Number of alignments=10 # 1vl7A read from 1vl7A/merged-good-all-a2m # found chain 1vl7A in training set T0331 7 :MHILEDMKVGVFATLDEYGNPHARHAHITAANEEGIFFMTSPETHFYDQLMGDQRVAMTAISEEG 1vl7A 12 :AGFIQEFQSAIISTISEQGIPNGSYAPFVIDDAKNIYIYVSGLAVHTKNIEANPLVNVLFVDDEA T0331 72 :YLIQVVRVEGTARPVEND 1vl7A 82 :FARRRLSFDCTATLIERE T0331 90 :YLKTVFADNP 1vl7A 102 :KWNQVVDQFQ T0331 100 :YYQHIYKDES 1vl7A 117 :IIEVLRGLAD T0331 113 :MQVFQIYAGHGFYH 1vl7A 127 :FRIFQLTPKEGRFV Number of specific fragments extracted= 5 number of extra gaps= 0 total=67 Number of alignments=11 # 1vl7A read from 1vl7A/merged-good-all-a2m # found chain 1vl7A in training set T0331 7 :MHILEDMKVGVFATLDEYGNPHARHAHITAANEEGIFFMTSPETHFYDQLMGDQRVAMTAISEEG 1vl7A 12 :AGFIQEFQSAIISTISEQGIPNGSYAPFVIDDAKNIYIYVSGLAVHTKNIEANPLVNVLFVDDEA T0331 72 :YLIQVVRVEGTARPVEN 1vl7A 82 :FARRRLSFDCTATLIER T0331 111 :DTM 1vl7A 99 :ESQ T0331 117 :QIYAGHGFYHSLTQG 1vl7A 102 :KWNQVVDQFQERFGQ Number of specific fragments extracted= 4 number of extra gaps= 0 total=71 Number of alignments=12 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1ty9A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0331 read from 1ty9A/merged-good-all-a2m # 1ty9A read from 1ty9A/merged-good-all-a2m # found chain 1ty9A in training set Warning: unaligning (T0331)A36 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1ty9A)I80 Warning: unaligning (T0331)A37 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1ty9A)I80 Warning: unaligning (T0331)Y119 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1ty9A)L189 Warning: unaligning (T0331)A120 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1ty9A)L189 T0331 5 :DIMHILEDM 1ty9A 36 :DPMSVLHNW T0331 14 :K 1ty9A 54 :R T0331 15 :VGVFATLDEYGNPHARHAHIT 1ty9A 58 :ALALATADSQGRPSTRIVVIS T0331 38 :NEEGIFFMTSPETHFYDQLMGDQRVAMTAISEEGYLI 1ty9A 81 :SDAGVVFSTHAGSQKGRELLHNPWASGVLYWRETSQQ T0331 77 :VRVEGTARPVENDYLKTVFADNPYYQHI 1ty9A 118 :IILNGQAVRLPNAKADDAWLKRPYATHP T0331 107 :DESS 1ty9A 154 :EELQ T0331 111 :DTMQVFQI 1ty9A 180 :EGYCVFEL T0331 121 :GHGFYH 1ty9A 190 :ESLEFW T0331 127 :SLTQGHKYIFSIGQGE 1ty9A 197 :NGQERLHERLRYDRSD Number of specific fragments extracted= 9 number of extra gaps= 2 total=80 Number of alignments=13 # 1ty9A read from 1ty9A/merged-good-all-a2m # found chain 1ty9A in training set Warning: unaligning (T0331)A36 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1ty9A)I80 Warning: unaligning (T0331)A37 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1ty9A)I80 Warning: unaligning (T0331)E108 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1ty9A)G174 Warning: unaligning (T0331)S109 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1ty9A)G174 Warning: unaligning (T0331)Y119 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1ty9A)L189 Warning: unaligning (T0331)A120 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1ty9A)L189 T0331 5 :DIMHILED 1ty9A 43 :NWLERARR T0331 13 :MKVGVFATLDEYGNPHARHAHIT 1ty9A 56 :PRALALATADSQGRPSTRIVVIS T0331 38 :NEEGIFFMTSPETHFYDQLMGDQRVAMTAISEEGY 1ty9A 81 :SDAGVVFSTHAGSQKGRELLHNPWASGVLYWRETS T0331 75 :QVVRVEGTARPVENDYLKTVFADNPYYQ 1ty9A 116 :QQIILNGQAVRLPNAKADDAWLKRPYAT T0331 103 :HIYKD 1ty9A 168 :QLAEL T0331 111 :DTMQVFQI 1ty9A 180 :EGYCVFEL T0331 121 :GHGFYHS 1ty9A 190 :ESLEFWG T0331 128 :LTQGHKYIFSIGQGEH 1ty9A 198 :GQERLHERLRYDRSDT Number of specific fragments extracted= 8 number of extra gaps= 3 total=88 Number of alignments=14 # 1ty9A read from 1ty9A/merged-good-all-a2m # found chain 1ty9A in training set Warning: unaligning (T0331)A36 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1ty9A)I80 Warning: unaligning (T0331)A37 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1ty9A)I80 Warning: unaligning (T0331)Y134 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1ty9A)G174 Warning: unaligning (T0331)I135 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1ty9A)G174 T0331 3 :LKDIMHI 1ty9A 45 :LERARRV T0331 10 :LEDMKVGVFATLDEYGNPHARHAHIT 1ty9A 53 :IREPRALALATADSQGRPSTRIVVIS T0331 38 :NEEGIFFMTSPETHFYDQLMGDQRVAMTAISEE 1ty9A 81 :SDAGVVFSTHAGSQKGRELLHNPWASGVLYWRE T0331 73 :LIQVVRVEGTARPVENDYLKTVFADNPYYQHIYKDESSDTMQVFQIYAGHGFYHSLTQG 1ty9A 114 :TSQQIILNGQAVRLPNAKADDAWLKRPYATHPMSSVSRQSEELQDVQAMRNAARQLAEL T0331 136 :FSIGQGEHSEVRA 1ty9A 175 :PLPRPEGYCVFEL Number of specific fragments extracted= 5 number of extra gaps= 2 total=93 Number of alignments=15 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1xhnA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1xhnA expands to /projects/compbio/data/pdb/1xhn.pdb.gz 1xhnA:Skipped atom 49, because occupancy 0.500 <= existing 0.500 in 1xhnA Skipped atom 51, because occupancy 0.500 <= existing 0.500 in 1xhnA Skipped atom 53, because occupancy 0.500 <= existing 0.500 in 1xhnA Skipped atom 55, because occupancy 0.500 <= existing 0.500 in 1xhnA Skipped atom 57, because occupancy 0.500 <= existing 0.500 in 1xhnA Skipped atom 514, because occupancy 0.500 <= existing 0.500 in 1xhnA Skipped atom 601, because occupancy 0.500 <= existing 0.500 in 1xhnA Skipped atom 603, because occupancy 0.500 <= existing 0.500 in 1xhnA Skipped atom 605, because occupancy 0.500 <= existing 0.500 in 1xhnA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 689, because occupancy 0.500 <= existing 0.500 in 1xhnA Skipped atom 691, because occupancy 0.500 <= existing 0.500 in 1xhnA Skipped atom 693, because occupancy 0.500 <= existing 0.500 in 1xhnA Skipped atom 695, because occupancy 0.500 <= existing 0.500 in 1xhnA Skipped atom 697, because occupancy 0.500 <= existing 0.500 in 1xhnA Skipped atom 786, because occupancy 0.500 <= existing 0.500 in 1xhnA Skipped atom 788, because occupancy 0.500 <= existing 0.500 in 1xhnA Skipped atom 790, because occupancy 0.500 <= existing 0.500 in 1xhnA Skipped atom 792, because occupancy 0.500 <= existing 0.500 in 1xhnA Skipped atom 794, because occupancy 0.500 <= existing 0.500 in 1xhnA Skipped atom 796, because occupancy 0.500 <= existing 0.500 in 1xhnA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 906, because occupancy 0.500 <= existing 0.500 in 1xhnA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 908, because occupancy 0.500 <= existing 0.500 in 1xhnA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 910, because occupancy 0.500 <= existing 0.500 in 1xhnA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 912, because occupancy 0.500 <= existing 0.500 in 1xhnA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # T0331 read from 1xhnA/merged-good-all-a2m # 1xhnA read from 1xhnA/merged-good-all-a2m # adding 1xhnA to template set # found chain 1xhnA in template set T0331 2 :ELKDIMHILEDMK 1xhnA 15 :PREDAARVARFVT T0331 15 :VGVFATLD 1xhnA 32 :WGALATIS T0331 23 :E 1xhnA 43 :A T0331 24 :YGNPHARHAHITAANEEG 1xhnA 45 :RGRPFADVLSLSDGPPGA T0331 42 :IFFMTSPETHFYDQLMGDQRVAMTAI 1xhnA 67 :PYFYLSPLQLSVSNLQENPYATLTMT T0331 68 :SEEGYLIQVVRVEGTARPV 1xhnA 105 :DPQSPLCVHIMLSGTVTKV T0331 87 :ENDYLKTVFAD 1xhnA 127 :EMDIAKHSLFI T0331 98 :NPYYQHI 1xhnA 139 :HPEMKTW T0331 108 :ESSDTMQVFQIYAGHGFYHSLTQGHKY 1xhnA 146 :PSSHNWFFAKLNITNIWVLDYFGGPKI Number of specific fragments extracted= 9 number of extra gaps= 0 total=102 Number of alignments=16 # 1xhnA read from 1xhnA/merged-good-all-a2m # found chain 1xhnA in template set T0331 2 :ELKDIMHIL 1xhnA 18 :DAARVARFV T0331 11 :EDMKVGVFATLDE 1xhnA 28 :HVSDWGALATIST T0331 24 :YGNPHARHAHITAANEEG 1xhnA 45 :RGRPFADVLSLSDGPPGA T0331 42 :IFFMTSPETHFYDQLMGDQRVAMTAI 1xhnA 67 :PYFYLSPLQLSVSNLQENPYATLTMT T0331 68 :SEEGYLIQVVRVEGTARPVENDYL 1xhnA 105 :DPQSPLCVHIMLSGTVTKVNETEM T0331 92 :KTVF 1xhnA 132 :KHSL T0331 96 :ADNPYYQHI 1xhnA 137 :IRHPEMKTW T0331 107 :DESSDTM 1xhnA 146 :PSSHNWF T0331 115 :VFQIYAGHGFYHSLTQGHKYI 1xhnA 153 :FAKLNITNIWVLDYFGGPKIV T0331 142 :EHSEVR 1xhnA 174 :TPEEYY Number of specific fragments extracted= 10 number of extra gaps= 0 total=112 Number of alignments=17 # 1xhnA read from 1xhnA/merged-good-all-a2m # found chain 1xhnA in template set T0331 13 :MKVGVFATLD 1xhnA 30 :SDWGALATIS T0331 24 :YGNPHARHAHITAANEE 1xhnA 45 :RGRPFADVLSLSDGPPG T0331 41 :GIFFMTSPETHFYDQLMGDQRVAMTA 1xhnA 66 :VPYFYLSPLQLSVSNLQENPYATLTM T0331 67 :ISEEGYLIQVVRVEGTARPVENDY 1xhnA 104 :FDPQSPLCVHIMLSGTVTKVNETE T0331 118 :IYAGHGFYHSLTQGHKY 1xhnA 128 :MDIAKHSLFIRHPEMKT T0331 137 :SIGQGEHS 1xhnA 145 :WPSSHNWF Number of specific fragments extracted= 6 number of extra gaps= 0 total=118 Number of alignments=18 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1t9mA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1t9mA expands to /projects/compbio/data/pdb/1t9m.pdb.gz 1t9mA:Skipped atom 572, because occupancy 0.500 <= existing 0.500 in 1t9mA Skipped atom 574, because occupancy 0.500 <= existing 0.500 in 1t9mA Skipped atom 576, because occupancy 0.500 <= existing 0.500 in 1t9mA Skipped atom 578, because occupancy 0.500 <= existing 0.500 in 1t9mA # T0331 read from 1t9mA/merged-good-all-a2m # 1t9mA read from 1t9mA/merged-good-all-a2m # adding 1t9mA to template set # found chain 1t9mA in template set Warning: unaligning (T0331)S109 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1t9mA)E146 Warning: unaligning (T0331)S110 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1t9mA)E146 Warning: unaligning (T0331)G139 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1t9mA)G206 Warning: unaligning (T0331)Q140 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1t9mA)G206 T0331 4 :KDIMHILEDM 1t9mA 27 :ANPMEVLRNW T0331 15 :VGVFATLDEYGNPHARHAHITAANEEGIFFMTSPETHFYDQLMGDQRVAMTAISEEGYLI 1t9mA 50 :ALALATVDGQGRPSTRIVVIAELGERGVVFATHADSQKGRELAQNPWASGVLYWRESSQQ T0331 77 :VRVEGTARPVENDYLKTVFADNPYYQH 1t9mA 110 :IILNGRAERLPDERADAQWLSRPYQTH T0331 104 :IYKDE 1t9mA 140 :IASRQ T0331 111 :DT 1t9mA 147 :TL T0331 113 :MQVFQIYAGHGFYH 1t9mA 174 :YCLFELCLESVEFW T0331 127 :SLTQGHKYIFSI 1t9mA 189 :NGTERLHERLRY T0331 141 :GEH 1t9mA 207 :WKH Number of specific fragments extracted= 8 number of extra gaps= 2 total=126 Number of alignments=19 # 1t9mA read from 1t9mA/merged-good-all-a2m # found chain 1t9mA in template set Warning: unaligning (T0331)Q140 because of BadResidue code BAD_PEPTIDE in next template residue (1t9mA)D203 Warning: unaligning (T0331)G141 because of BadResidue code BAD_PEPTIDE at template residue (1t9mA)D203 Warning: unaligning (T0331)H143 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1t9mA)G206 Warning: unaligning (T0331)S144 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1t9mA)G206 T0331 5 :DIMHILEDMKV 1t9mA 35 :NWLERARRYGV T0331 16 :GVFATLDEYGNPHARHAHITAANEEGIFFMTSPETHFYDQLMGDQRVAMTAISEEGY 1t9mA 51 :LALATVDGQGRPSTRIVVIAELGERGVVFATHADSQKGRELAQNPWASGVLYWRESS T0331 75 :QVVRVEGTARPVENDYLKTVFADNPYYQ 1t9mA 108 :QQIILNGRAERLPDERADAQWLSRPYQT T0331 103 :HIYKDE 1t9mA 160 :RLAETD T0331 109 :SSDTMQVFQIYAGHGFYHS 1t9mA 170 :RPPGYCLFELCLESVEFWG T0331 128 :LTQGHKYIFSIG 1t9mA 190 :GTERLHERLRYD T0331 142 :E 1t9mA 204 :E Number of specific fragments extracted= 7 number of extra gaps= 2 total=133 Number of alignments=20 # 1t9mA read from 1t9mA/merged-good-all-a2m # found chain 1t9mA in template set Warning: unaligning (T0331)T112 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1t9mA)E146 Warning: unaligning (T0331)M113 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1t9mA)E146 T0331 3 :LKDIMHI 1t9mA 37 :LERARRY T0331 10 :LEDMKVGVFATLDEYGNPHARHAHITAANEEGIFFMTSPETHFYDQLMGDQRVAMTAISEE 1t9mA 45 :VREPRALALATVDGQGRPSTRIVVIAELGERGVVFATHADSQKGRELAQNPWASGVLYWRE T0331 73 :LIQVVRVEGTARPVENDYLKTVFADNPYYQHIYKDESSD 1t9mA 106 :SSQQIILNGRAERLPDERADAQWLSRPYQTHPMSIASRQ T0331 114 :QVFQIYAGHGFYHSLTQG 1t9mA 147 :TLADIHALRAEARRLAET T0331 134 :YIFSIGQGEHSEVRA 1t9mA 165 :DGPLPRPPGYCLFEL Number of specific fragments extracted= 5 number of extra gaps= 1 total=138 Number of alignments=21 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1ejeA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1ejeA expands to /projects/compbio/data/pdb/1eje.pdb.gz 1ejeA:# T0331 read from 1ejeA/merged-good-all-a2m # 1ejeA read from 1ejeA/merged-good-all-a2m # adding 1ejeA to template set # found chain 1ejeA in template set Warning: unaligning (T0331)A32 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (1ejeA)F48 Warning: unaligning (T0331)H33 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (1ejeA)F48 T0331 2 :ELKDIMHILEDMKVGVFATLDEYGNPHAR 1ejeA 16 :PVESAHRILTPRPTVMVTTVDEEGNINAA T0331 31 :H 1ejeA 46 :F T0331 34 :ITAANEEG 1ejeA 49 :TMPVSIDP T0331 42 :IFFMTSPETHFYDQLMGDQRVAMTAISEE 1ejeA 59 :VAFASAPDHHTARNIESTHEFVINITPAD Number of specific fragments extracted= 4 number of extra gaps= 1 total=142 Number of alignments=22 # 1ejeA read from 1ejeA/merged-good-all-a2m # found chain 1ejeA in template set Warning: unaligning (T0331)H33 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (1ejeA)F48 Warning: unaligning (T0331)I34 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (1ejeA)F48 T0331 15 :VGVFATLDEYGNPHARHA 1ejeA 29 :TVMVTTVDEEGNINAAPF T0331 35 :TAA 1ejeA 49 :TMP T0331 38 :NEEGIFFMTSPETHFYDQLMGDQRVAMTAISE 1ejeA 55 :DPPVVAFASAPDHHTARNIESTHEFVINITPA T0331 71 :G 1ejeA 126 :E T0331 73 :LIQVVRVE 1ejeA 127 :APGHLECE T0331 101 :YQHIYKDESSDTMQ 1ejeA 135 :LLRMFEVGDHNLIT T0331 123 :GFYHSLT 1ejeA 149 :GSVVSAS T0331 130 :QGH 1ejeA 163 :EGL Number of specific fragments extracted= 8 number of extra gaps= 1 total=150 Number of alignments=23 # 1ejeA read from 1ejeA/merged-good-all-a2m # found chain 1ejeA in template set Warning: unaligning (T0331)H33 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (1ejeA)F48 Warning: unaligning (T0331)I34 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (1ejeA)F48 T0331 15 :VGVFATLDEYGNPHARHA 1ejeA 29 :TVMVTTVDEEGNINAAPF T0331 35 :T 1ejeA 49 :T T0331 36 :AANEEGIFFMTSPETHFYDQLMGDQRVAMTAISEE 1ejeA 53 :SIDPPVVAFASAPDHHTARNIESTHEFVINITPAD T0331 73 :L 1ejeA 88 :I T0331 122 :HGFYHSLTQGHKYIF 1ejeA 89 :IERMWVTARDIPAGE Number of specific fragments extracted= 5 number of extra gaps= 1 total=155 Number of alignments=24 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2fg9A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2fg9A expands to /projects/compbio/data/pdb/2fg9.pdb.gz 2fg9A:Skipped atom 38, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 40, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 42, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 44, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 46, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 48, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 50, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 52, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 54, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 56, because occupancy 0.500 <= existing 0.500 in 2fg9A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 594, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 596, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 598, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 600, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 602, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 604, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 606, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 608, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 610, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 612, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 614, because occupancy 0.500 <= existing 0.500 in 2fg9A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 872, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 874, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 876, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 878, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 880, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 882, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 884, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 886, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 888, because occupancy 0.500 <= existing 0.500 in 2fg9A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1151, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 1153, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 1155, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 1157, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 1159, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 1161, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 1163, because occupancy 0.500 <= existing 0.500 in 2fg9A Skipped atom 1165, because occupancy 0.500 <= existing 0.500 in 2fg9A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # T0331 read from 2fg9A/merged-good-all-a2m # 2fg9A read from 2fg9A/merged-good-all-a2m # adding 2fg9A to template set # found chain 2fg9A in template set Warning: unaligning (T0331)E49 because of BadResidue code BAD_PEPTIDE in next template residue (2fg9A)G55 Warning: unaligning (T0331)T50 because of BadResidue code BAD_PEPTIDE at template residue (2fg9A)G55 T0331 1 :MELKDIMHILEDMK 2fg9A 7 :EDKQRIESIILQAD T0331 15 :VGVFAT 2fg9A 22 :CFVGIT T0331 22 :DEYGNPHARHAHITA 2fg9A 28 :DLEGNPYVVPMNFGY T0331 38 :NEEGIFFMTSP 2fg9A 43 :ENDTLYLHSGP T0331 51 :HFYDQLMGDQRVAMTAISEEG 2fg9A 56 :GKIEMLQRNNNVCITFSLGHK T0331 72 :YLIQ 2fg9A 88 :YSMR T0331 76 :VVRVEGTARPVEN 2fg9A 94 :SAMCRGKVEFIED T0331 89 :DYLKTVFAD 2fg9A 108 :EEKRHALDI T0331 101 :YQHIYKDESSDT 2fg9A 117 :IMRHYTKDQFSY T0331 113 :MQVFQIYAGHGF 2fg9A 136 :VKVWKVPVDQMT Number of specific fragments extracted= 10 number of extra gaps= 1 total=165 Number of alignments=25 # 2fg9A read from 2fg9A/merged-good-all-a2m # found chain 2fg9A in template set Warning: unaligning (T0331)E49 because of BadResidue code BAD_PEPTIDE in next template residue (2fg9A)G55 Warning: unaligning (T0331)T50 because of BadResidue code BAD_PEPTIDE at template residue (2fg9A)G55 T0331 1 :MELKDIMHILEDMKVGVFATLDEYGNPHARHAHITA 2fg9A 7 :EDKQRIESIILQADACFVGITDLEGNPYVVPMNFGY T0331 38 :NEEGIFFMTSP 2fg9A 43 :ENDTLYLHSGP T0331 51 :HFYDQLMGDQRVAMTAISEEGYLIQ 2fg9A 56 :GKIEMLQRNNNVCITFSLGHKLVYQ T0331 76 :VVRVEGTARPVEND 2fg9A 94 :SAMCRGKVEFIEDM T0331 90 :YLKTVFA 2fg9A 109 :EKRHALD T0331 100 :YYQHIYKDESSD 2fg9A 116 :IIMRHYTKDQFS T0331 113 :MQVFQ 2fg9A 136 :VKVWK T0331 118 :IYAGHGFYHSLT 2fg9A 143 :VDQMTGKVFGLR Number of specific fragments extracted= 8 number of extra gaps= 1 total=173 Number of alignments=26 # 2fg9A read from 2fg9A/merged-good-all-a2m # found chain 2fg9A in template set Warning: unaligning (T0331)E49 because of BadResidue code BAD_PEPTIDE in next template residue (2fg9A)G55 Warning: unaligning (T0331)T50 because of BadResidue code BAD_PEPTIDE at template residue (2fg9A)G55 T0331 3 :LKDIMHILEDMKVGVFATLDEYGNPHARHAHIT 2fg9A 9 :KQRIESIILQADACFVGITDLEGNPYVVPMNFG T0331 37 :ANEEGIFFMTSP 2fg9A 42 :YENDTLYLHSGP T0331 51 :HFYDQLMGDQRVAMTAISEEG 2fg9A 56 :GKIEMLQRNNNVCITFSLGHK T0331 73 :LIQVVRVEGTARPVEN 2fg9A 91 :RSESAMCRGKVEFIED T0331 89 :DYLKTVF 2fg9A 108 :EEKRHAL T0331 126 :HSLTQGHKYIFSIG 2fg9A 115 :DIIMRHYTKDQFSY Number of specific fragments extracted= 6 number of extra gaps= 1 total=179 Number of alignments=27 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2asfA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2asfA expands to /projects/compbio/data/pdb/2asf.pdb.gz 2asfA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 546, because occupancy 0.500 <= existing 0.500 in 2asfA Skipped atom 548, because occupancy 0.250 <= existing 0.750 in 2asfA # T0331 read from 2asfA/merged-good-all-a2m # 2asfA read from 2asfA/merged-good-all-a2m # adding 2asfA to template set # found chain 2asfA in template set Warning: unaligning (T0331)A32 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2asfA)G41 Warning: unaligning (T0331)H33 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2asfA)G41 T0331 4 :KDIMHILEDMKVGVFATLDEYGNPHARH 2asfA 12 :DDALAFLSERHLAMLTTLRADNSPHVVA T0331 34 :ITAANEEG 2asfA 42 :FTFDPKTH T0331 42 :IFFMTSPETHFYDQLMGDQRVAMTAISEEGY 2asfA 51 :ARVITTGGSQKAVNADRSGLAVLSQVDGARW T0331 77 :VRVEGTARP 2asfA 82 :LSLEGRAAV T0331 86 :VENDYLKTVFA 2asfA 92 :SDIDAVRDAEL T0331 100 :YYQHIYKD 2asfA 103 :RYAQRYRT T0331 108 :ESSDTMQVFQIYAGHGFY 2asfA 112 :RPNPRRVVIEVQIERVLG Number of specific fragments extracted= 7 number of extra gaps= 1 total=186 Number of alignments=28 # 2asfA read from 2asfA/merged-good-all-a2m # found chain 2asfA in template set Warning: unaligning (T0331)A32 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2asfA)G41 Warning: unaligning (T0331)H33 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2asfA)G41 T0331 4 :KDIMHILEDMKVGVFATLDEYGNPHARH 2asfA 12 :DDALAFLSERHLAMLTTLRADNSPHVVA T0331 34 :ITAANEEG 2asfA 42 :FTFDPKTH T0331 42 :IFFMTSPETHFYDQLMGDQRVAMTAISEE 2asfA 51 :ARVITTGGSQKAVNADRSGLAVLSQVDGA T0331 75 :QVVRVEGTARPVENDYLKTVFAD 2asfA 80 :RWLSLEGRAAVNSDIDAVRDAEL T0331 100 :YYQHIYKDE 2asfA 103 :RYAQRYRTP T0331 109 :SSDTMQVFQIYAGHGFY 2asfA 113 :PNPRRVVIEVQIERVLG Number of specific fragments extracted= 6 number of extra gaps= 1 total=192 Number of alignments=29 # 2asfA read from 2asfA/merged-good-all-a2m # found chain 2asfA in template set Warning: unaligning (T0331)A32 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2asfA)G41 Warning: unaligning (T0331)H33 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2asfA)G41 T0331 4 :KDIMHILEDMKVGVFATLDEYGNPHARH 2asfA 12 :DDALAFLSERHLAMLTTLRADNSPHVVA T0331 34 :ITAANEE 2asfA 42 :FTFDPKT T0331 41 :GIFFMTSPETHFYDQLMGDQRVAMTAISEE 2asfA 50 :IARVITTGGSQKAVNADRSGLAVLSQVDGA T0331 75 :QVVRVEGTARPV 2asfA 80 :RWLSLEGRAAVN T0331 87 :ENDYLKT 2asfA 93 :DIDAVRD T0331 121 :GHGFYHSL 2asfA 100 :AELRYAQR T0331 135 :IFSIGQGEHSEV 2asfA 108 :YRTPRPNPRRVV Number of specific fragments extracted= 7 number of extra gaps= 1 total=199 Number of alignments=30 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1xxoA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1xxoA expands to /projects/compbio/data/pdb/1xxo.pdb.gz 1xxoA:# T0331 read from 1xxoA/merged-good-all-a2m # 1xxoA read from 1xxoA/merged-good-all-a2m # adding 1xxoA to template set # found chain 1xxoA in template set T0331 4 :KDIMHILEDMKVGVFATLDEYGNPHARHAHITAANEE 1xxoA 8 :DKLLAVISGNSIGVLATIKHDGRPQLSNVQYHFDPRK T0331 41 :GIFFMTSPETHFYDQLMGDQRVAMTAISEEGYLIQVVRVEGTARPV 1xxoA 46 :LIQVSIAEPRAKTRNLRRDPRASILVDADDGWSYAVAEGTAQLTPP T0331 87 :ENDYLKTVFA 1xxoA 96 :DDDTVEALIA T0331 101 :YQHIYKDESS 1xxoA 106 :LYRNIAGEHS T0331 111 :DTMQVFQIYAGHGFYHSL 1xxoA 127 :DRRVLLTLPISHVYGLPP Number of specific fragments extracted= 5 number of extra gaps= 0 total=204 Number of alignments=31 # 1xxoA read from 1xxoA/merged-good-all-a2m # found chain 1xxoA in template set T0331 4 :KDIMHILEDMKVGVFATLDEYGNPHARHAHITAANEEG 1xxoA 8 :DKLLAVISGNSIGVLATIKHDGRPQLSNVQYHFDPRKL T0331 42 :IFFMTSPETHFYDQLMGDQRVAMTAISEEGY 1xxoA 47 :IQVSIAEPRAKTRNLRRDPRASILVDADDGW T0331 75 :QVVRVEGTARPV 1xxoA 78 :SYAVAEGTAQLT T0331 87 :ENDYLKTVFA 1xxoA 96 :DDDTVEALIA T0331 101 :YQHIYKDE 1xxoA 106 :LYRNIAGE T0331 111 :DTMQVFQIYAGHGFYH 1xxoA 127 :DRRVLLTLPISHVYGL Number of specific fragments extracted= 6 number of extra gaps= 0 total=210 Number of alignments=32 # 1xxoA read from 1xxoA/merged-good-all-a2m # found chain 1xxoA in template set T0331 4 :KDIMHILEDMKVGVFATLDEYGNPHARHAHITAANEE 1xxoA 8 :DKLLAVISGNSIGVLATIKHDGRPQLSNVQYHFDPRK T0331 41 :GIFFMTSPETHFYDQLMGDQRVAMTAISEE 1xxoA 46 :LIQVSIAEPRAKTRNLRRDPRASILVDADD T0331 73 :LIQVVRVEGTARPVE 1xxoA 76 :GWSYAVAEGTAQLTP T0331 88 :NDYLKTVFA 1xxoA 97 :DDTVEALIA T0331 124 :FYHSLTQGHKY 1xxoA 106 :LYRNIAGEHSD Number of specific fragments extracted= 5 number of extra gaps= 0 total=215 Number of alignments=33 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1w9aA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0331 read from 1w9aA/merged-good-all-a2m # 1w9aA read from 1w9aA/merged-good-all-a2m # found chain 1w9aA in training set T0331 4 :KDIMHILEDMKVGVFATLDEYGNPHARHAHITAANEEG 1w9aA 8 :DKLLAVISGNSIGVLATIKHDGRPQLSNVQYHFDPRKL T0331 42 :IFFMTSPETHFYDQLMGDQRVAMTAISEEGYLIQVVRVEGTARPV 1w9aA 47 :IQVSIAEPRAKTRNLRRDPRASILVDADDGWSYAVAEGTAQLTPP T0331 87 :ENDYLKTVFA 1w9aA 96 :DDDTVEALIA T0331 101 :YQHIYKDESSDT 1w9aA 106 :LYRNIAGEHSDW T0331 115 :VFQIYAGHGFYHSLTQGH 1w9aA 129 :RVLLTLPISHVYGLPPGM Number of specific fragments extracted= 5 number of extra gaps= 0 total=220 Number of alignments=34 # 1w9aA read from 1w9aA/merged-good-all-a2m # found chain 1w9aA in training set T0331 4 :KDIMHILEDMKVGVFATLDEYGNPHARHAHITAANEEG 1w9aA 8 :DKLLAVISGNSIGVLATIKHDGRPQLSNVQYHFDPRKL T0331 42 :IFFMTSPETHFYDQLMGDQRVAMTAISEEGY 1w9aA 47 :IQVSIAEPRAKTRNLRRDPRASILVDADDGW T0331 75 :QVVRVEGTARPV 1w9aA 78 :SYAVAEGTAQLT T0331 87 :ENDYLKTVFA 1w9aA 96 :DDDTVEALIA Number of specific fragments extracted= 4 number of extra gaps= 0 total=224 Number of alignments=35 # 1w9aA read from 1w9aA/merged-good-all-a2m # found chain 1w9aA in training set T0331 4 :KDIMHILEDMKVGVFATLDEYGNPHARHAHITAANEE 1w9aA 8 :DKLLAVISGNSIGVLATIKHDGRPQLSNVQYHFDPRK T0331 41 :GIFFMTSPETHFYDQLMGDQRVAMTAISEE 1w9aA 46 :LIQVSIAEPRAKTRNLRRDPRASILVDADD T0331 73 :LIQVVRVEGTARPVE 1w9aA 76 :GWSYAVAEGTAQLTP T0331 88 :NDYLKTVFA 1w9aA 97 :DDTVEALIA T0331 124 :FYHSLTQGHKY 1w9aA 106 :LYRNIAGEHSD Number of specific fragments extracted= 5 number of extra gaps= 0 total=229 Number of alignments=36 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2aq6A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2aq6A expands to /projects/compbio/data/pdb/2aq6.pdb.gz 2aq6A:# T0331 read from 2aq6A/merged-good-all-a2m # 2aq6A read from 2aq6A/merged-good-all-a2m # adding 2aq6A to template set # found chain 2aq6A in template set Warning: unaligning (T0331)K133 because last residue in template chain is (2aq6A)R147 T0331 3 :LKDIMHILEDMKVGVFATLDEYGNPHARHAHITAANEEG 2aq6A 7 :DDKLLAVISGNSIGVLATIKHDGRPQLSNVQYHFDPRKL T0331 42 :IFFMTSPETHFYDQLMGDQRVAMTAISEEGYLIQVVRVEGTARPV 2aq6A 47 :IQVSIAEPRAKTRNLRRDPRASILVDADDGWSYAVAEGTAQLTPP T0331 87 :ENDYLKTVFA 2aq6A 96 :DDDTVEALIA T0331 101 :YQHIYKDESSDT 2aq6A 106 :LYRNIAGEHSDW T0331 115 :VFQIYAGHGFYHSLTQGH 2aq6A 129 :RVLLTLPISHVYGLPPGM Number of specific fragments extracted= 5 number of extra gaps= 0 total=234 Number of alignments=37 # 2aq6A read from 2aq6A/merged-good-all-a2m # found chain 2aq6A in template set T0331 3 :LKDIMHILEDMKVGVFATLDEYGNPHARHAHITAANEEG 2aq6A 7 :DDKLLAVISGNSIGVLATIKHDGRPQLSNVQYHFDPRKL T0331 42 :IFFMTSPETHFYDQLMGDQRVAMTAISEEGY 2aq6A 47 :IQVSIAEPRAKTRNLRRDPRASILVDADDGW T0331 75 :QVVRVEGTARPV 2aq6A 78 :SYAVAEGTAQLT T0331 87 :ENDYLKTVFA 2aq6A 96 :DDDTVEALIA Number of specific fragments extracted= 4 number of extra gaps= 0 total=238 Number of alignments=38 # 2aq6A read from 2aq6A/merged-good-all-a2m # found chain 2aq6A in template set T0331 2 :ELKDIMHILEDMKVGVFATLDEYGNPHARHAHITAANEE 2aq6A 6 :FDDKLLAVISGNSIGVLATIKHDGRPQLSNVQYHFDPRK T0331 41 :GIFFMTSPETHFYDQLMGDQRVAMTAISEE 2aq6A 46 :LIQVSIAEPRAKTRNLRRDPRASILVDADD T0331 73 :LIQVVRVEGTARPVE 2aq6A 76 :GWSYAVAEGTAQLTP T0331 88 :NDYLKTVFA 2aq6A 97 :DDTVEALIA T0331 103 :HIYKDESSDT 2aq6A 106 :LYRNIAGEHS T0331 117 :QIYAGHGFYHS 2aq6A 116 :DWDDYRQAMVT Number of specific fragments extracted= 6 number of extra gaps= 0 total=244 Number of alignments=39 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1nrgA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1nrgA expands to /projects/compbio/data/pdb/1nrg.pdb.gz 1nrgA:Skipped atom 861, because occupancy 0.500 <= existing 0.500 in 1nrgA Skipped atom 863, because occupancy 0.500 <= existing 0.500 in 1nrgA Skipped atom 1438, because occupancy 0.500 <= existing 0.500 in 1nrgA Skipped atom 1440, because occupancy 0.500 <= existing 0.500 in 1nrgA Skipped atom 1442, because occupancy 0.500 <= existing 0.500 in 1nrgA Skipped atom 1444, because occupancy 0.500 <= existing 0.500 in 1nrgA Skipped atom 1446, because occupancy 0.500 <= existing 0.500 in 1nrgA Skipped atom 1448, because occupancy 0.500 <= existing 0.500 in 1nrgA Skipped atom 1450, because occupancy 0.500 <= existing 0.500 in 1nrgA # T0331 read from 1nrgA/merged-good-all-a2m # 1nrgA read from 1nrgA/merged-good-all-a2m # adding 1nrgA to template set # found chain 1nrgA in template set T0331 12 :DMK 1nrgA 74 :DIG T0331 15 :VGVFATLDEYGNPHARHAHITAANEEGIFFMTSPETHFYDQLMGDQRVAMTAISEEGYLI 1nrgA 80 :AMCLATCTRDGKPSARMLLLKGFGKDGFRFFTNFESRKGKELDSNPFASLVFYWEPLNRQ T0331 77 :VRVEGTARPVENDYLKTVFADNP 1nrgA 140 :VRVEGPVKKLPEEEAECYFHSRP T0331 101 :YQHIYKDES 1nrgA 191 :LEQLYQDQE T0331 110 :SDTMQVFQIYAGHGFYHSLT 1nrgA 203 :PKSWGGYVLYPQVMEFWQGQ T0331 130 :QGHKYIFSIGQGEHSEVRAL 1nrgA 224 :NRLHDRIVFRRGLPTGDSPL Number of specific fragments extracted= 6 number of extra gaps= 0 total=250 Number of alignments=40 # 1nrgA read from 1nrgA/merged-good-all-a2m # found chain 1nrgA in template set T0331 3 :LKDIMH 1nrgA 66 :FEEAVQ T0331 11 :EDMK 1nrgA 73 :PDIG T0331 15 :VGVFATLDEYGNPHARHAHITAANEEGIFFMTSPETHFYDQLMGDQRVAMTAISEE 1nrgA 80 :AMCLATCTRDGKPSARMLLLKGFGKDGFRFFTNFESRKGKELDSNPFASLVFYWEP T0331 73 :LIQVVRVEGTARPVENDYLKTVFADNP 1nrgA 136 :LNRQVRVEGPVKKLPEEEAECYFHSRP T0331 100 :YYQHIYKDESSD 1nrgA 190 :ELEQLYQDQEVP T0331 112 :TMQVFQIYAGHGFYHSLTQG 1nrgA 205 :SWGGYVLYPQVMEFWQGQTN T0331 132 :HKYIFSIGQGEHSE 1nrgA 228 :DRIVFRRGLPTGDS Number of specific fragments extracted= 7 number of extra gaps= 0 total=257 Number of alignments=41 # 1nrgA read from 1nrgA/merged-good-all-a2m # found chain 1nrgA in template set T0331 3 :LKDIMHI 1nrgA 66 :FEEAVQC T0331 10 :LEDMKVGVFATLDEYGNPHARHAHITAANEEGIFFMTSPETHFYDQLMGDQRVAMTAISEE 1nrgA 75 :IGEANAMCLATCTRDGKPSARMLLLKGFGKDGFRFFTNFESRKGKELDSNPFASLVFYWEP T0331 73 :LIQVVRVEGTARPVENDYLKTVFADNPYYQHIYKDESSDTMQVFQIYAGHGFYHSLTQGHKYIFSIGQGEHSEVRA 1nrgA 136 :LNRQVRVEGPVKKLPEEEAECYFHSRPKSSQIGAVVSHQSSVIPDREYLRKKNEELEQLYQDQEVPKPKSWGGYVL Number of specific fragments extracted= 3 number of extra gaps= 0 total=260 Number of alignments=42 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1axj/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1axj expands to /projects/compbio/data/pdb/1axj.pdb.gz 1axj:Warning: there is no chain 1axj will retry with 1axjA # T0331 read from 1axj/merged-good-all-a2m # 1axj read from 1axj/merged-good-all-a2m # adding 1axj to template set # found chain 1axj in template set Warning: unaligning (T0331)E49 because of BadResidue code BAD_PEPTIDE in next template residue (1axj)H52 Warning: unaligning (T0331)T50 because of BadResidue code BAD_PEPTIDE at template residue (1axj)H52 Warning: unaligning (T0331)H122 because of BadResidue code BAD_PEPTIDE in next template residue (1axj)A118 Warning: unaligning (T0331)G123 because of BadResidue code BAD_PEPTIDE at template residue (1axj)A118 T0331 4 :KDIMHILEDMK 1axj 4 :GTFFEVLKNEG T0331 15 :VGVFATLD 1axj 16 :VAIATQGE T0331 25 :GNPHA 1axj 24 :DGPHL T0331 30 :RHAHITAANEEGIFFMTSP 1axj 32 :WNSYLKVLDGNRIVVPVGG T0331 51 :HFYDQLMGDQRVAMTAISEE 1axj 53 :KTEANVARDERVLMTLGSRK T0331 71 :GY 1axj 79 :PG T0331 75 :QVVRVEGTARPVENDYLKTVFADNPYY 1axj 81 :TGFLIRGSAAFRTDGPEFEAIARFKWA T0331 113 :MQVFQIYAG 1axj 108 :RAALVITVV Number of specific fragments extracted= 8 number of extra gaps= 2 total=268 Number of alignments=43 # 1axj read from 1axj/merged-good-all-a2m # found chain 1axj in template set Warning: unaligning (T0331)E49 because of BadResidue code BAD_PEPTIDE in next template residue (1axj)H52 Warning: unaligning (T0331)T50 because of BadResidue code BAD_PEPTIDE at template residue (1axj)H52 Warning: unaligning (T0331)H122 because of BadResidue code BAD_PEPTIDE in next template residue (1axj)A118 Warning: unaligning (T0331)G123 because of BadResidue code BAD_PEPTIDE at template residue (1axj)A118 T0331 4 :KDIMHILEDMKVGVFATLDE 1axj 4 :GTFFEVLKNEGVVAIATQGE T0331 25 :GNPHARHAH 1axj 24 :DGPHLVNTW T0331 34 :ITAANEEGIFFMTSP 1axj 36 :LKVLDGNRIVVPVGG T0331 51 :HFYDQLMGDQRVAMTAISE 1axj 53 :KTEANVARDERVLMTLGSR T0331 70 :EGY 1axj 77 :NGP T0331 74 :IQVVRVEGTARPVENDYLKTVFADNPYYQ 1axj 80 :GTGFLIRGSAAFRTDGPEFEAIARFKWAR T0331 114 :QVFQIYAG 1axj 109 :AALVITVV Number of specific fragments extracted= 7 number of extra gaps= 2 total=275 Number of alignments=44 # 1axj read from 1axj/merged-good-all-a2m # found chain 1axj in template set Warning: unaligning (T0331)E49 because of BadResidue code BAD_PEPTIDE in next template residue (1axj)H52 Warning: unaligning (T0331)T50 because of BadResidue code BAD_PEPTIDE at template residue (1axj)H52 T0331 4 :KDIMHILEDMKVGVFATLDE 1axj 4 :GTFFEVLKNEGVVAIATQGE T0331 25 :GNPHARHAH 1axj 24 :DGPHLVNTW T0331 34 :ITAANEEGIFFMTSP 1axj 36 :LKVLDGNRIVVPVGG T0331 51 :HFYDQLMGDQRVAMTAISEEG 1axj 53 :KTEANVARDERVLMTLGSRKV T0331 72 :YLIQVVRVEGTARPVENDYLKTVFADNPY 1axj 78 :GPGTGFLIRGSAAFRTDGPEFEAIARFKW Number of specific fragments extracted= 5 number of extra gaps= 1 total=280 Number of alignments=45 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2a2jA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2a2jA expands to /projects/compbio/data/pdb/2a2j.pdb.gz 2a2jA:# T0331 read from 2a2jA/merged-good-all-a2m # 2a2jA read from 2a2jA/merged-good-all-a2m # adding 2a2jA to template set # found chain 2a2jA in template set Warning: unaligning (T0331)H103 because of BadResidue code BAD_PEPTIDE in next template residue (2a2jA)R175 Warning: unaligning (T0331)I104 because of BadResidue code BAD_PEPTIDE at template residue (2a2jA)R175 Warning: unaligning (T0331)T129 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (2a2jA)N206 Warning: unaligning (T0331)Q130 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (2a2jA)N206 T0331 8 :HILEDM 2a2jA 47 :RWLNDA T0331 15 :VGVFATLDE 2a2jA 62 :AMVLATVAD T0331 25 :GNPHARHAHITAANEEGIFFMTSPETHFYDQLMGDQRVAMTAISEEGYLI 2a2jA 71 :GKPVTRSVLCKILDESGVAFFTSYTSAKGEQLAVTPYASATFPWYQLGRQ T0331 77 :VRVEGTARPVENDYLKTVFADNPY 2a2jA 121 :AHVQGPVSKVSTEEIFTYWSMRPR T0331 101 :YQ 2a2jA 172 :VT T0331 105 :YKDESS 2a2jA 176 :FADQDQ T0331 111 :DTMQVFQIYAGHGFYH 2a2jA 186 :PGWGGYRIAPEIVEFW T0331 127 :SL 2a2jA 203 :GR T0331 131 :GHKYIFSIGQGEHSEVR 2a2jA 207 :RMHNRIRVANGRLERLQ Number of specific fragments extracted= 9 number of extra gaps= 2 total=289 Number of alignments=46 # 2a2jA read from 2a2jA/merged-good-all-a2m # found chain 2a2jA in template set Warning: unaligning (T0331)S110 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (2a2jA)P183 Warning: unaligning (T0331)T129 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (2a2jA)N206 Warning: unaligning (T0331)Q130 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (2a2jA)N206 T0331 6 :IMHILED 2a2jA 48 :WLNDAQR T0331 13 :MKVGVFATLDE 2a2jA 60 :PNAMVLATVAD T0331 25 :GNPHARHAHITAANEEGIFFMTSPETHFYDQLMGDQRVAMTAISEE 2a2jA 71 :GKPVTRSVLCKILDESGVAFFTSYTSAKGEQLAVTPYASATFPWYQ T0331 73 :LIQVVRVEGTARPVENDYLKTVFADNP 2a2jA 117 :LGRQAHVQGPVSKVSTEEIFTYWSMRP T0331 101 :YQHI 2a2jA 169 :LAEV T0331 107 :DES 2a2jA 179 :QDQ T0331 111 :DTMQVFQIYAGHGFYHS 2a2jA 186 :PGWGGYRIAPEIVEFWQ T0331 128 :L 2a2jA 204 :R T0331 131 :GHKYIFSIGQGEH 2a2jA 207 :RMHNRIRVANGRL Number of specific fragments extracted= 9 number of extra gaps= 2 total=298 Number of alignments=47 # 2a2jA read from 2a2jA/merged-good-all-a2m # found chain 2a2jA in template set Warning: unaligning (T0331)Q130 because of BadResidue code BAD_PEPTIDE in next template residue (2a2jA)R175 Warning: unaligning (T0331)G131 because of BadResidue code BAD_PEPTIDE at template residue (2a2jA)R175 Warning: unaligning (T0331)S137 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (2a2jA)P183 Warning: unaligning (T0331)I138 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (2a2jA)P183 T0331 3 :LKDIMHI 2a2jA 49 :LNDAQRA T0331 10 :LEDMKVGVFATLDE 2a2jA 57 :VSEPNAMVLATVAD T0331 25 :GNPHARHAHITAANEEGIFFMTSPETHFYDQLMGDQRVAMTAISEE 2a2jA 71 :GKPVTRSVLCKILDESGVAFFTSYTSAKGEQLAVTPYASATFPWYQ T0331 73 :LIQVVRVEGTARPVENDYLKTVFADNPYYQHIYKDESSDTMQVFQIYAGHGFYHSLT 2a2jA 117 :LGRQAHVQGPVSKVSTEEIFTYWSMRPRGAQLGAWASQQSRPVGSRAQLDNQLAEVT T0331 132 :HKYI 2a2jA 176 :FADQ T0331 136 :F 2a2jA 181 :Q T0331 139 :GQGEHSEVRA 2a2jA 184 :VPPGWGGYRI Number of specific fragments extracted= 7 number of extra gaps= 2 total=305 Number of alignments=48 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2fhqA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2fhqA expands to /projects/compbio/data/pdb/2fhq.pdb.gz 2fhqA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 121, because occupancy 0.500 <= existing 0.500 in 2fhqA Skipped atom 123, because occupancy 0.500 <= existing 0.500 in 2fhqA Skipped atom 125, because occupancy 0.500 <= existing 0.500 in 2fhqA Skipped atom 127, because occupancy 0.500 <= existing 0.500 in 2fhqA Skipped atom 129, because occupancy 0.500 <= existing 0.500 in 2fhqA Skipped atom 131, because occupancy 0.500 <= existing 0.500 in 2fhqA Skipped atom 133, because occupancy 0.500 <= existing 0.500 in 2fhqA Skipped atom 135, because occupancy 0.500 <= existing 0.500 in 2fhqA Skipped atom 137, because occupancy 0.500 <= existing 0.500 in 2fhqA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 596, because occupancy 0.500 <= existing 0.500 in 2fhqA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 598, because occupancy 0.500 <= existing 0.500 in 2fhqA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 600, because occupancy 0.500 <= existing 0.500 in 2fhqA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 602, because occupancy 0.500 <= existing 0.500 in 2fhqA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 604, because occupancy 0.500 <= existing 0.500 in 2fhqA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 606, because occupancy 0.500 <= existing 0.500 in 2fhqA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 610, because occupancy 0.500 <= existing 0.500 in 2fhqA Skipped atom 705, because occupancy 0.500 <= existing 0.500 in 2fhqA Skipped atom 707, because occupancy 0.500 <= existing 0.500 in 2fhqA Skipped atom 709, because occupancy 0.500 <= existing 0.500 in 2fhqA Skipped atom 711, because occupancy 0.500 <= existing 0.500 in 2fhqA Skipped atom 713, because occupancy 0.500 <= existing 0.500 in 2fhqA Skipped atom 715, because occupancy 0.500 <= existing 0.500 in 2fhqA Skipped atom 717, because occupancy 0.500 <= existing 0.500 in 2fhqA Skipped atom 719, because occupancy 0.500 <= existing 0.500 in 2fhqA Skipped atom 721, because occupancy 0.500 <= existing 0.500 in 2fhqA Skipped atom 949, because occupancy 0.500 <= existing 0.500 in 2fhqA Skipped atom 951, because occupancy 0.500 <= existing 0.500 in 2fhqA Skipped atom 953, because occupancy 0.500 <= existing 0.500 in 2fhqA Skipped atom 955, because occupancy 0.500 <= existing 0.500 in 2fhqA Skipped atom 957, because occupancy 0.500 <= existing 0.500 in 2fhqA Skipped atom 959, because occupancy 0.500 <= existing 0.500 in 2fhqA Skipped atom 961, because occupancy 0.500 <= existing 0.500 in 2fhqA Skipped atom 963, because occupancy 0.500 <= existing 0.500 in 2fhqA # T0331 read from 2fhqA/merged-good-all-a2m # 2fhqA read from 2fhqA/merged-good-all-a2m # adding 2fhqA to template set # found chain 2fhqA in template set T0331 4 :KDIMHILEDMKVGVFATLDEYGNPHARHAHITAANE 2fhqA 8 :EKAVELLQKCEVVTLASVNKEGYPRPVPMSKIAAEG T0331 40 :EGIFFMTSPETHFYDQLMGDQRVAMTAI 2fhqA 45 :STIWMSTGADSLKTIDFLSNPKAGLCFQ T0331 69 :EEGYL 2fhqA 73 :EKGDS T0331 77 :VRVEGTARPV 2fhqA 78 :VALMGEVEVV T0331 87 :ENDYLKTVF 2fhqA 89 :DEKLKQELW T0331 98 :NPYYQHIYKDESSD 2fhqA 98 :QDWFIEHFPGGPTD T0331 112 :TMQVFQIYAGHGFYH 2fhqA 113 :GYVLLKFTANHATYW T0331 129 :TQGHKY 2fhqA 128 :IEGTFI Number of specific fragments extracted= 8 number of extra gaps= 0 total=313 Number of alignments=49 # 2fhqA read from 2fhqA/merged-good-all-a2m # found chain 2fhqA in template set T0331 3 :LKDIMHILEDMKVGVFATLDEYGNPHARHAHITAANE 2fhqA 7 :KEKAVELLQKCEVVTLASVNKEGYPRPVPMSKIAAEG T0331 40 :EGIFFMTSPETHFYDQLMGDQRVAMTAISEE 2fhqA 45 :STIWMSTGADSLKTIDFLSNPKAGLCFQEKG T0331 75 :QVVRVEGTARPVENDYLKTVF 2fhqA 76 :DSVALMGEVEVVTDEKLKQEL T0331 98 :NPYYQHIYK 2fhqA 98 :QDWFIEHFP T0331 107 :DESSDTMQVFQIYAGHGFYHSLTQGHKYI 2fhqA 108 :GPTDPGYVLLKFTANHATYWIEGTFIHKK Number of specific fragments extracted= 5 number of extra gaps= 0 total=318 Number of alignments=50 # 2fhqA read from 2fhqA/merged-good-all-a2m # found chain 2fhqA in template set T0331 2 :ELKDIMHILEDMKVGVFATLDEYGNPHARHAHITAANE 2fhqA 6 :MKEKAVELLQKCEVVTLASVNKEGYPRPVPMSKIAAEG T0331 40 :EGIFFMTSPETHFYDQLMGDQRVAMTAISEE 2fhqA 45 :STIWMSTGADSLKTIDFLSNPKAGLCFQEKG T0331 75 :QVVRVEGTARPV 2fhqA 76 :DSVALMGEVEVV T0331 87 :ENDYLKT 2fhqA 89 :DEKLKQE T0331 100 :YYQHIYKD 2fhqA 97 :WQDWFIEH T0331 132 :HKY 2fhqA 105 :FPG T0331 140 :QGEHSEVRA 2fhqA 108 :GPTDPGYVL Number of specific fragments extracted= 7 number of extra gaps= 0 total=325 Number of alignments=51 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1rfeA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1rfeA expands to /projects/compbio/data/pdb/1rfe.pdb.gz 1rfeA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 250, because occupancy 0.350 <= existing 0.650 in 1rfeA Skipped atom 252, because occupancy 0.350 <= existing 0.650 in 1rfeA Skipped atom 254, because occupancy 0.350 <= existing 0.650 in 1rfeA Skipped atom 256, because occupancy 0.350 <= existing 0.650 in 1rfeA Skipped atom 258, because occupancy 0.350 <= existing 0.650 in 1rfeA Skipped atom 260, because occupancy 0.350 <= existing 0.650 in 1rfeA Skipped atom 262, because occupancy 0.350 <= existing 0.650 in 1rfeA Skipped atom 264, because occupancy 0.350 <= existing 0.650 in 1rfeA Skipped atom 266, because occupancy 0.350 <= existing 0.650 in 1rfeA Skipped atom 268, because occupancy 0.350 <= existing 0.650 in 1rfeA Skipped atom 282, because occupancy 0.350 <= existing 0.650 in 1rfeA Skipped atom 284, because occupancy 0.350 <= existing 0.650 in 1rfeA Skipped atom 286, because occupancy 0.350 <= existing 0.650 in 1rfeA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: OD for alphabet: pdb_atoms Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1077, because occupancy 0.350 <= existing 0.650 in 1rfeA Skipped atom 1079, because occupancy 0.350 <= existing 0.650 in 1rfeA Skipped atom 1081, because occupancy 0.350 <= existing 0.650 in 1rfeA Skipped atom 1083, because occupancy 0.350 <= existing 0.650 in 1rfeA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # T0331 read from 1rfeA/merged-good-all-a2m # 1rfeA read from 1rfeA/merged-good-all-a2m # adding 1rfeA to template set # found chain 1rfeA in template set Warning: unaligning (T0331)A32 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1rfeA)W43 Warning: unaligning (T0331)H33 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1rfeA)W43 Warning: unaligning (T0331)A83 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1rfeA)E94 Warning: unaligning (T0331)R84 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1rfeA)E94 Warning: unaligning (T0331)E108 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1rfeA)K122 Warning: unaligning (T0331)S110 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1rfeA)K122 T0331 1 :MELKDIMHILEDMKVGVFATLDEYGNPHARH 1rfeA 11 :MSEAEIADFVNSSRTGTLATIGPDGQPHLTA T0331 34 :ITAANE 1rfeA 44 :YAVIDG T0331 41 :GIFFMTSPETHFYDQLMGDQRVAMTAIS 1rfeA 50 :EIWLETKAKSQKAVNLRRDPRVSFLLED T0331 69 :EEGYLIQVVRVEGT 1rfeA 79 :DTYDTLRGVSFEGV T0331 85 :PVE 1rfeA 95 :IVE T0331 88 :NDYLKTVFADN 1rfeA 99 :PEALHRVGVSV T0331 99 :PYYQHIYKD 1rfeA 111 :ERYTGPYTD T0331 111 :DTMQVFQIYAGHGFYHSLT 1rfeA 130 :NKRVGVRIVARRTRSWDHR T0331 130 :QGHK 1rfeA 152 :LPHM Number of specific fragments extracted= 9 number of extra gaps= 2 total=334 Number of alignments=52 # 1rfeA read from 1rfeA/merged-good-all-a2m # found chain 1rfeA in template set Warning: unaligning (T0331)A32 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1rfeA)W43 Warning: unaligning (T0331)H33 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1rfeA)W43 Warning: unaligning (T0331)A83 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1rfeA)E94 Warning: unaligning (T0331)R84 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1rfeA)E94 Warning: unaligning (T0331)A96 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1rfeA)K122 Warning: unaligning (T0331)N98 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1rfeA)K122 T0331 1 :MELKDIMHILEDMKVGVFATLDEYGNPHARH 1rfeA 11 :MSEAEIADFVNSSRTGTLATIGPDGQPHLTA T0331 34 :ITAA 1rfeA 44 :YAVI T0331 39 :EEGIFFMTSPETHFYDQLMGDQRVAMTAISEEGYLIQV 1rfeA 48 :DGEIWLETKAKSQKAVNLRRDPRVSFLLEDGDTYDTLR T0331 77 :VRVEGT 1rfeA 87 :VSFEGV T0331 85 :PVEND 1rfeA 95 :IVEEP T0331 90 :YLKTVF 1rfeA 101 :ALHRVG T0331 99 :PYYQHIYKD 1rfeA 123 :PMVDQMMNK T0331 113 :MQVFQIYAGHGFYHSLT 1rfeA 132 :RVGVRIVARRTRSWDHR T0331 130 :QG 1rfeA 153 :PH Number of specific fragments extracted= 9 number of extra gaps= 2 total=343 Number of alignments=53 # 1rfeA read from 1rfeA/merged-good-all-a2m # found chain 1rfeA in template set Warning: unaligning (T0331)A32 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1rfeA)W43 Warning: unaligning (T0331)H33 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1rfeA)W43 Warning: unaligning (T0331)A83 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (1rfeA)E94 Warning: unaligning (T0331)R84 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (1rfeA)E94 Warning: unaligning (T0331)D111 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1rfeA)K122 Warning: unaligning (T0331)M113 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1rfeA)K122 T0331 2 :ELKDIMHILEDMKVGVFATLDEYGNPHARH 1rfeA 12 :SEAEIADFVNSSRTGTLATIGPDGQPHLTA T0331 34 :ITAA 1rfeA 44 :YAVI T0331 39 :EEGIFFMTSPETHFYDQLMGDQRVAMTAISEEG 1rfeA 48 :DGEIWLETKAKSQKAVNLRRDPRVSFLLEDGDT T0331 72 :YLIQVVRVEGT 1rfeA 82 :DTLRGVSFEGV T0331 85 :PV 1rfeA 95 :IV T0331 87 :ENDYLKTVFADN 1rfeA 98 :EPEALHRVGVSV T0331 101 :YQHIYKDESS 1rfeA 110 :WERYTGPYTD T0331 123 :GFYHSLT 1rfeA 123 :PMVDQMM T0331 141 :GEHSEVRA 1rfeA 130 :NKRVGVRI Number of specific fragments extracted= 9 number of extra gaps= 2 total=352 Number of alignments=54 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1ci0A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1ci0A expands to /projects/compbio/data/pdb/1ci0.pdb.gz 1ci0A:# T0331 read from 1ci0A/merged-good-all-a2m # 1ci0A read from 1ci0A/merged-good-all-a2m # adding 1ci0A to template set # found chain 1ci0A in template set T0331 4 :KDIMHILEDM 1ci0A 33 :DDPIDLFTKW T0331 15 :VGVFATLDEYGNPHARHAHITAANEEGIFFMT 1ci0A 58 :ITFSSAELPSGRVSSRILLFKELDHRGFTIYS T0331 47 :SPETHFYDQLMGDQRVAMTAISEEGYLI 1ci0A 91 :WGTSRKAHDIATNPNAAIVFFWKDLQRQ T0331 77 :VRVEGTARPVENDYLKTVFADNPY 1ci0A 119 :VRVEGITEHVNRETSERYFKTRPR T0331 101 :YQHIYKDESS 1ci0A 170 :NTERFKDAED T0331 111 :DTMQVFQIYAGHGFYHSLT 1ci0A 184 :DYWGGLRIVPLEIEFWQGR T0331 130 :QGHKYIFSIGQGEHSE 1ci0A 204 :SRLHDRFVYRRKTEND Number of specific fragments extracted= 7 number of extra gaps= 0 total=359 Number of alignments=55 # 1ci0A read from 1ci0A/merged-good-all-a2m # found chain 1ci0A in template set T0331 5 :DIMHILEDMK 1ci0A 41 :KWFNEAKEDP T0331 15 :VGVFATLD 1ci0A 57 :AITFSSAE T0331 23 :EYGNPHARHAHITAANEEGIFFMTS 1ci0A 66 :PSGRVSSRILLFKELDHRGFTIYSN T0331 48 :PETHFYDQLMGDQRVAMTAISEE 1ci0A 92 :GTSRKAHDIATNPNAAIVFFWKD T0331 73 :LIQVVRVEGTARPVENDYLKTVFADNP 1ci0A 115 :LQRQVRVEGITEHVNRETSERYFKTRP T0331 100 :YYQHIYK 1ci0A 162 :ELDELTQ T0331 107 :DES 1ci0A 177 :AED T0331 110 :SDTMQVFQIYAGHGFYHSLT 1ci0A 183 :PDYWGGLRIVPLEIEFWQGR T0331 130 :QGHKYIFSIGQGEHSE 1ci0A 204 :SRLHDRFVYRRKTEND Number of specific fragments extracted= 9 number of extra gaps= 0 total=368 Number of alignments=56 # 1ci0A read from 1ci0A/merged-good-all-a2m # found chain 1ci0A in template set T0331 3 :LKDIMHI 1ci0A 43 :FNEAKED T0331 10 :LEDMKVGVFATLD 1ci0A 52 :ETLPEAITFSSAE T0331 23 :EYGNPHARHAHITAANEEGIFFMTS 1ci0A 66 :PSGRVSSRILLFKELDHRGFTIYSN T0331 48 :PETHFYDQLMGDQRVAMTAISEE 1ci0A 92 :GTSRKAHDIATNPNAAIVFFWKD T0331 73 :LIQVVRVEGTARPVENDYLKTVFADNPYYQHIYKDESSDTMQVFQIYAGHGFYHSLTQGHKYI 1ci0A 115 :LQRQVRVEGITEHVNRETSERYFKTRPRGSKIGAWASRQSDVIKNREELDELTQKNTERFKDA T0331 136 :FSIGQGEHSEVRAL 1ci0A 179 :DIPCPDYWGGLRIV Number of specific fragments extracted= 6 number of extra gaps= 0 total=374 Number of alignments=57 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2furA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2furA expands to /projects/compbio/data/pdb/2fur.pdb.gz 2furA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 253, because occupancy 0.500 <= existing 0.500 in 2furA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 255, because occupancy 0.500 <= existing 0.500 in 2furA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 259, because occupancy 0.500 <= existing 0.500 in 2furA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 265, because occupancy 0.500 <= existing 0.500 in 2furA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 267, because occupancy 0.500 <= existing 0.500 in 2furA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 271, because occupancy 0.500 <= existing 0.500 in 2furA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 709, because occupancy 0.500 <= existing 0.500 in 2furA Skipped atom 711, because occupancy 0.500 <= existing 0.500 in 2furA Skipped atom 713, because occupancy 0.500 <= existing 0.500 in 2furA Skipped atom 715, because occupancy 0.500 <= existing 0.500 in 2furA Skipped atom 717, because occupancy 0.500 <= existing 0.500 in 2furA Skipped atom 719, because occupancy 0.500 <= existing 0.500 in 2furA Skipped atom 721, because occupancy 0.500 <= existing 0.500 in 2furA Skipped atom 953, because occupancy 0.500 <= existing 0.500 in 2furA Skipped atom 955, because occupancy 0.500 <= existing 0.500 in 2furA Skipped atom 957, because occupancy 0.500 <= existing 0.500 in 2furA Skipped atom 959, because occupancy 0.500 <= existing 0.500 in 2furA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1323, because occupancy 0.500 <= existing 0.500 in 2furA Skipped atom 1325, because occupancy 0.500 <= existing 0.500 in 2furA Skipped atom 1327, because occupancy 0.500 <= existing 0.500 in 2furA Skipped atom 1329, because occupancy 0.500 <= existing 0.500 in 2furA Skipped atom 1331, because occupancy 0.500 <= existing 0.500 in 2furA Skipped atom 1347, because occupancy 0.500 <= existing 0.500 in 2furA Skipped atom 1349, because occupancy 0.500 <= existing 0.500 in 2furA Skipped atom 1351, because occupancy 0.500 <= existing 0.500 in 2furA # T0331 read from 2furA/merged-good-all-a2m # 2furA read from 2furA/merged-good-all-a2m # adding 2furA to template set # found chain 2furA in template set Warning: unaligning (T0331)S127 because of BadResidue code BAD_PEPTIDE in next template residue (2furA)R164 Warning: unaligning (T0331)L128 because of BadResidue code BAD_PEPTIDE at template residue (2furA)R164 T0331 2 :ELKDIMHILEDMKVGVFATLDE 2furA 20 :SDEDLVAMLDRNFTCTVSFIDG T0331 25 :GNPHARHAHI 2furA 42 :GIPYAIPMML T0331 36 :AANEEGIFFMTSPETHFYDQLMGDQRVAMTAIS 2furA 52 :ASEGKTIYLHGSMKSRIYGILKTGQLIAISLLE T0331 69 :EEGYLIQVVRVEGTARPVE 2furA 96 :NNSINYVSALIFGRPYEID T0331 88 :NDYLKTVFADN 2furA 116 :TEKKIEVFRLL T0331 99 :PYYQHIYKDESSDT 2furA 133 :GRWDNSIKPSYEDL T0331 113 :MQVFQIYAGHGFYH 2furA 149 :VFVFAVKPETFSMK T0331 129 :TQGHKY 2furA 165 :TGPPHD Number of specific fragments extracted= 8 number of extra gaps= 1 total=382 Number of alignments=58 # 2furA read from 2furA/merged-good-all-a2m # found chain 2furA in template set Warning: unaligning (T0331)S127 because of BadResidue code BAD_PEPTIDE in next template residue (2furA)R164 Warning: unaligning (T0331)L128 because of BadResidue code BAD_PEPTIDE at template residue (2furA)R164 T0331 1 :MELKDIMHILEDMKVGVFATLDE 2furA 19 :YSDEDLVAMLDRNFTCTVSFIDG T0331 25 :GNPHARHAHI 2furA 42 :GIPYAIPMML T0331 36 :AANEEGIFFMTSPETHFYDQLMGDQRVAMTAISE 2furA 52 :ASEGKTIYLHGSMKSRIYGILKTGQLIAISLLEI T0331 70 :EGYLIQVVRVEGTARPVEN 2furA 97 :NSINYVSALIFGRPYEIDD T0331 89 :DYLKTVFADNP 2furA 117 :EKKIEVFRLLT T0331 100 :YYQHIYKDESSD 2furA 130 :LVKGRWDNSIKP T0331 112 :TM 2furA 149 :VF T0331 115 :VFQIYAGHGFYH 2furA 151 :VFAVKPETFSMK T0331 129 :TQGHK 2furA 165 :TGPPH Number of specific fragments extracted= 9 number of extra gaps= 1 total=391 Number of alignments=59 # 2furA read from 2furA/merged-good-all-a2m # found chain 2furA in template set T0331 3 :LKDIMHILEDMKVGVFATLDE 2furA 21 :DEDLVAMLDRNFTCTVSFIDG T0331 25 :GNPHARHAHIT 2furA 42 :GIPYAIPMMLA T0331 37 :ANEEGIFFMTSPETHFYDQLMGDQRVAMTA 2furA 53 :SEGKTIYLHGSMKSRIYGILKTGQLIAISL T0331 67 :ISEEGYLIQ 2furA 92 :KEIKNNSIN T0331 77 :VRVEGTARPVEN 2furA 104 :ALIFGRPYEIDD T0331 89 :DYLKTVFAD 2furA 117 :EKKIEVFRL T0331 100 :YYQHIYKDESSDTMQVFQIYAG 2furA 126 :LTEKLVKGRWDNSIKPSYEDLN T0331 130 :Q 2furA 148 :G T0331 133 :KYIFSIGQGEHSEVR 2furA 167 :PPHDTSTDDIWSGVL Number of specific fragments extracted= 9 number of extra gaps= 0 total=400 Number of alignments=60 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2arzA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2arzA expands to /projects/compbio/data/pdb/2arz.pdb.gz 2arzA:Skipped atom 565, because occupancy 0.500 <= existing 0.500 in 2arzA Skipped atom 567, because occupancy 0.500 <= existing 0.500 in 2arzA Skipped atom 569, because occupancy 0.500 <= existing 0.500 in 2arzA Skipped atom 571, because occupancy 0.500 <= existing 0.500 in 2arzA Skipped atom 573, because occupancy 0.500 <= existing 0.500 in 2arzA Skipped atom 575, because occupancy 0.500 <= existing 0.500 in 2arzA Skipped atom 577, because occupancy 0.500 <= existing 0.500 in 2arzA Skipped atom 579, because occupancy 0.500 <= existing 0.500 in 2arzA Skipped atom 581, because occupancy 0.500 <= existing 0.500 in 2arzA Skipped atom 583, because occupancy 0.500 <= existing 0.500 in 2arzA Skipped atom 585, because occupancy 0.500 <= existing 0.500 in 2arzA # T0331 read from 2arzA/merged-good-all-a2m # 2arzA read from 2arzA/merged-good-all-a2m # adding 2arzA to template set # found chain 2arzA in template set Warning: unaligning (T0331)S109 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2arzA)V119 Warning: unaligning (T0331)S110 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2arzA)V119 Warning: unaligning (T0331)T112 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2arzA)F122 Warning: unaligning (T0331)M113 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2arzA)F122 T0331 4 :KDIMHIL 2arzA 7 :KNARELL T0331 11 :EDMKVGVFATLDEY 2arzA 15 :KEYRAVLSTHSKKW T0331 25 :GNPHARHAHITAANEEGIFFMTSPETHFYDQLMGDQRVAMTAISEE 2arzA 30 :GFPFGSVVPYCLDAEGRPLILISRIAQHTHNLQADPRCSMLVGERG T0331 75 :QVVRVEGTARPVENDYLKTVFA 2arzA 83 :GRLTLLAEARQLAEEEVAAAAE T0331 99 :PYYQHIYKDE 2arzA 108 :RYFPESADYH T0331 111 :D 2arzA 120 :H T0331 114 :QVFQIYA 2arzA 123 :DFWVLQP T0331 121 :GHGFYHSLTQGH 2arzA 137 :GFGAIHWLAAER Number of specific fragments extracted= 8 number of extra gaps= 2 total=408 Number of alignments=61 # 2arzA read from 2arzA/merged-good-all-a2m # found chain 2arzA in template set Warning: unaligning (T0331)S109 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2arzA)V119 Warning: unaligning (T0331)S110 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2arzA)V119 Warning: unaligning (T0331)T112 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2arzA)F122 Warning: unaligning (T0331)M113 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2arzA)F122 T0331 3 :LKDIMHILEDMKVGVFATLDE 2arzA 6 :AKNARELLLKEYRAVLSTHSK T0331 24 :YGNPHARHAHITAANEEGIFFMTSPETHFYDQLMGDQRVAMTAISEEG 2arzA 29 :PGFPFGSVVPYCLDAEGRPLILISRIAQHTHNLQADPRCSMLVGERGA T0331 73 :LIQVVRVEGTARPVENDYLKTVFADNP 2arzA 81 :AVGRLTLLAEARQLAEEEVAAAAERYY T0331 100 :YYQHIYKDE 2arzA 109 :YFPESADYH T0331 111 :D 2arzA 120 :H T0331 114 :QVFQIYAGHGFYHSLTQGHKY 2arzA 123 :DFWVLQPVQWRFIGGFGAIHW T0331 136 :F 2arzA 144 :L Number of specific fragments extracted= 7 number of extra gaps= 2 total=415 Number of alignments=62 # 2arzA read from 2arzA/merged-good-all-a2m # found chain 2arzA in template set Warning: unaligning (T0331)G139 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2arzA)V119 Warning: unaligning (T0331)Q140 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2arzA)V119 Warning: unaligning (T0331)E142 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE in next template residue (2arzA)F122 Warning: unaligning (T0331)H143 because of BadResidue code NON_PLANAR_PEPTIDE+BAD_PEPTIDE at template residue (2arzA)F122 T0331 16 :GVFATLDE 2arzA 19 :AVLSTHSK T0331 24 :YGNPHARHAHITAANEEGIFFMTSPETHFYDQLMGDQRVAMTAISEEG 2arzA 29 :PGFPFGSVVPYCLDAEGRPLILISRIAQHTHNLQADPRCSMLVGERGA T0331 72 :YLIQVVRVEGTARPVENDYLKT 2arzA 80 :QAVGRLTLLAEARQLAEEEVAA T0331 121 :GHGFYHSLTQGHKY 2arzA 102 :AAERYYRYFPESAD T0331 137 :SI 2arzA 116 :YH T0331 141 :G 2arzA 120 :H T0331 144 :SEVRA 2arzA 123 :DFWVL Number of specific fragments extracted= 7 number of extra gaps= 2 total=422 Number of alignments=63 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1dnlA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0331 read from 1dnlA/merged-good-all-a2m # 1dnlA read from 1dnlA/merged-good-all-a2m # found chain 1dnlA in training set T0331 4 :KDIMHILEDM 1dnlA 29 :ADPLTLFERW T0331 14 :K 1dnlA 46 :K T0331 15 :VGVFATLDEYGNPHARHAHITAANEEGIFFMTSPETHFYDQLMGDQRVAMTAISEEGYLI 1dnlA 52 :AMVVATVDEHGQPYQRIVLLKHYDEKGMVFYTNLGSRKAHQIENNPRVSLLFPWHTLERQ T0331 77 :VRVEGTARPVENDYLKTVFADNPYYQHI 1dnlA 112 :VMVIGKAERLSTLEVMKYFHSRPRDSQI T0331 111 :DTMQVFQIYAGHGFYH 1dnlA 176 :SFWGGFRVSLEQIEFW T0331 127 :SLTQGHKYIFSIGQGEH 1dnlA 193 :GGEHRLHDRFLYQREND Number of specific fragments extracted= 6 number of extra gaps= 0 total=428 Number of alignments=64 # 1dnlA read from 1dnlA/merged-good-all-a2m # found chain 1dnlA in training set T0331 3 :LKDIMHIL 1dnlA 35 :FERWLSQA T0331 11 :EDMK 1dnlA 45 :AKLA T0331 15 :VGVFATLDEYGNPHARHAHITAANEEGIFFMTSPETHFYDQLMGDQRVAMTAISEE 1dnlA 52 :AMVVATVDEHGQPYQRIVLLKHYDEKGMVFYTNLGSRKAHQIENNPRVSLLFPWHT T0331 73 :LIQVVRVEGTARPVENDYLKTVFADNP 1dnlA 108 :LERQVMVIGKAERLSTLEVMKYFHSRP T0331 100 :YYQHIYKDESSD 1dnlA 162 :ELKQKFQQGEVP T0331 112 :TMQVFQIYAGHGFYHSLT 1dnlA 177 :FWGGFRVSLEQIEFWQGG T0331 130 :QGHKYIFSIGQGEH 1dnlA 198 :LHDRFLYQRENDAW Number of specific fragments extracted= 7 number of extra gaps= 0 total=435 Number of alignments=65 # 1dnlA read from 1dnlA/merged-good-all-a2m # found chain 1dnlA in training set T0331 1 :MELKDIMHILEDMKVGVFATLDEYGNPHARHAHITAANEEGIFFMTSPETHFYDQLMGDQRVAMTAISEE 1dnlA 38 :WLSQACEAKLADPTAMVVATVDEHGQPYQRIVLLKHYDEKGMVFYTNLGSRKAHQIENNPRVSLLFPWHT T0331 73 :LIQVVRVEGTARPVENDYLKTVFADNPYYQHIYKDESSDTMQVFQIYAGHGFYHSLTQGHKYIFSIGQGEHSEVRA 1dnlA 108 :LERQVMVIGKAERLSTLEVMKYFHSRPRDSQIGAWVSKQSSRISARGILESKFLELKQKFQQGEVPLPSFWGGFRV Number of specific fragments extracted= 2 number of extra gaps= 0 total=437 Number of alignments=66 # command:Warning: Couldn't open file /projects/compbio/experiments/protein-predict/casp7/T0331//projects/compbio/experiments/protein-predict/casp7/T0331/align.constraints_v3.costfcn or /projects/compbio/experiments/protein-predict/casp7/T0331//projects/compbio/experiments/protein-predict/casp7/T0331/align.constraints_v3.costfcn.gz for input Trying /projects/compbio/experiments/protein-predict/casp7/T0331/align.constraints_v3.costfcn # reading script from file /projects/compbio/experiments/protein-predict/casp7/T0331/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((T0331)A19.CB, (T0331)V62.CB) [> 3.8756 = 6.4594 < 8.3972] w=1.0000 to align # Constraint # added constraint: constraint((T0331)F18.CB, (T0331)M64.CB) [> 3.2640 = 5.4399 < 7.0719] w=1.0000 to align # Constraint # added constraint: constraint((T0331)F18.CB, (T0331)A63.CB) [> 4.2904 = 7.1507 < 9.2958] w=1.0000 to align # Constraint # added constraint: constraint((T0331)F18.CB, (T0331)V62.CB) [> 3.6576 = 6.0959 < 7.9247] w=1.0000 to align # Constraint # added constraint: constraint((T0331)V17.CB, (T0331)M64.CB) [> 4.0734 = 6.7890 < 8.8257] w=1.0000 to align # Constraint # added constraint: constraint((T0331)G16.CA, (T0331)T65.CB) [> 3.7852 = 6.3087 < 8.2013] w=1.0000 to align # Constraint # added constraint: constraint((T0331)G16.CA, (T0331)M64.CB) [> 3.6744 = 6.1239 < 7.9611] w=1.0000 to align # Constraint # added constraint: constraint((T0331)I42.CB, (T0331)M64.CB) [> 3.8321 = 6.3868 < 8.3028] w=0.9853 to align # Constraint # added constraint: constraint((T0331)A19.CB, (T0331)H28.CB) [> 3.9829 = 6.6382 < 8.6296] w=0.9853 to align # Constraint # added constraint: constraint((T0331)F18.CB, (T0331)A29.CB) [> 4.1294 = 6.8823 < 8.9470] w=0.9853 to align # Constraint # added constraint: constraint((T0331)V17.CB, (T0331)A29.CB) [> 3.3944 = 5.6574 < 7.3546] w=0.9853 to align # Constraint # added constraint: constraint((T0331)A19.CB, (T0331)A29.CB) [> 3.0872 = 5.1454 < 6.6890] w=0.9839 to align # Constraint # added constraint: constraint((T0331)G16.CA, (T0331)A66.CB) [> 3.2290 = 5.3816 < 6.9961] w=0.9839 to align # Constraint # added constraint: constraint((T0331)A63.CB, (T0331)V79.CB) [> 4.1382 = 6.8970 < 8.9661] w=0.9726 to align # Constraint # added constraint: constraint((T0331)A63.CB, (T0331)R78.CB) [> 3.8014 = 6.3357 < 8.2364] w=0.9726 to align # Constraint # added constraint: constraint((T0331)I34.CB, (T0331)F44.CB) [> 3.4252 = 5.7087 < 7.4213] w=0.9726 to align # Constraint # added constraint: constraint((T0331)G16.CA, (T0331)H31.CB) [> 3.5703 = 5.9504 < 7.7355] w=0.9707 to align # Constraint # added constraint: constraint((T0331)V17.CB, (T0331)H31.CB) [> 3.5831 = 5.9717 < 7.7633] w=0.9696 to align # Constraint # added constraint: constraint((T0331)A19.CB, (T0331)A63.CB) [> 2.6772 = 4.4620 < 5.8005] w=0.9693 to align # Constraint # added constraint: constraint((T0331)V62.CB, (T0331)G81.CA) [> 3.5176 = 5.8627 < 7.6215] w=0.9589 to align # Constraint # added constraint: constraint((T0331)R61.CB, (T0331)G81.CA) [> 3.8357 = 6.3929 < 8.3108] w=0.9589 to align # Constraint # added constraint: constraint((T0331)T20.CB, (T0331)Q55.CB) [> 2.6722 = 4.4536 < 5.7897] w=0.9560 to align # Constraint # added constraint: constraint((T0331)D22.CB, (T0331)Q55.CB) [> 3.3108 = 5.5179 < 7.1733] w=0.9560 to align # Constraint # added constraint: constraint((T0331)V17.CB, (T0331)R30.CB) [> 4.2067 = 7.0111 < 9.1145] w=0.9550 to align # Constraint # added constraint: constraint((T0331)V15.CB, (T0331)H31.CB) [> 3.4663 = 5.7772 < 7.5103] w=0.9532 to align # Constraint # added constraint: constraint((T0331)T20.CB, (T0331)V62.CB) [> 3.3544 = 5.5908 < 7.2680] w=0.9518 to align # Constraint # added constraint: constraint((T0331)V17.CB, (T0331)T65.CB) [> 2.8731 = 4.7886 < 6.2251] w=0.9518 to align # Constraint # added constraint: constraint((T0331)A66.CB, (T0331)V77.CB) [> 2.9717 = 4.9528 < 6.4386] w=0.9429 to align # Constraint # added constraint: constraint((T0331)V62.CB, (T0331)E80.CB) [> 4.5373 = 7.5622 < 9.8308] w=0.9268 to align # Constraint # added constraint: constraint((T0331)M64.CB, (T0331)V79.CB) [> 2.7439 = 4.5732 < 5.9451] w=0.9245 to align # Constraint # added constraint: constraint((T0331)F18.CB, (T0331)R30.CB) [> 3.4220 = 5.7033 < 7.4143] w=0.9215 to align # Constraint # added constraint: constraint((T0331)Q60.CB, (T0331)T82.CB) [> 3.0668 = 5.1112 < 6.6446] w=0.9150 to align # Constraint # added constraint: constraint((T0331)I42.CB, (T0331)V79.CB) [> 3.9188 = 6.5313 < 8.4907] w=0.9141 to align # Constraint # added constraint: constraint((T0331)T65.CB, (T0331)V77.CB) [> 4.1744 = 6.9574 < 9.0446] w=0.9108 to align # Constraint # added constraint: constraint((T0331)M64.CB, (T0331)R78.CB) [> 4.3701 = 7.2835 < 9.4686] w=0.9108 to align # Constraint # added constraint: constraint((T0331)I34.CB, (T0331)F43.CB) [> 4.0318 = 6.7197 < 8.7356] w=0.9098 to align # Constraint # added constraint: constraint((T0331)H28.CB, (T0331)F52.CB) [> 3.9639 = 6.6065 < 8.5884] w=0.9078 to align # Constraint # added constraint: constraint((T0331)A19.CB, (T0331)M64.CB) [> 4.4473 = 7.4122 < 9.6359] w=0.8961 to align # Constraint # added constraint: constraint((T0331)T65.CB, (T0331)R78.CB) [> 3.0130 = 5.0217 < 6.5282] w=0.8947 to align # Constraint # added constraint: constraint((T0331)A63.CB, (T0331)E80.CB) [> 3.1656 = 5.2761 < 6.8589] w=0.8947 to align # Constraint # added constraint: constraint((T0331)L21.CB, (T0331)D59.CB) [> 3.1530 = 5.2551 < 6.8316] w=0.8904 to align # Constraint # added constraint: constraint((T0331)L21.CB, (T0331)R61.CB) [> 4.0890 = 6.8150 < 8.8595] w=0.8890 to align # Constraint # added constraint: constraint((T0331)F18.CB, (T0331)F44.CB) [> 4.0962 = 6.8269 < 8.8750] w=0.8744 to align # Constraint # added constraint: constraint((T0331)Q60.CB, (T0331)A83.CB) [> 3.2931 = 5.4886 < 7.1351] w=0.8507 to align # Constraint # added constraint: constraint((T0331)L56.CB, (T0331)A83.CB) [> 3.1117 = 5.1861 < 6.7420] w=0.8507 to align # Constraint # added constraint: constraint((T0331)A63.CB, (T0331)G81.CA) [> 4.4020 = 7.3367 < 9.5377] w=0.8465 to align # Constraint # added constraint: constraint((T0331)V62.CB, (T0331)A83.CB) [> 2.8892 = 4.8153 < 6.2599] w=0.8465 to align # Constraint # added constraint: constraint((T0331)T20.CB, (T0331)L56.CB) [> 3.4001 = 5.6669 < 7.3669] w=0.8450 to align # Constraint # added constraint: constraint((T0331)G16.CA, (T0331)A32.CB) [> 3.5703 = 5.9506 < 7.7358] w=0.8449 to align # Constraint # added constraint: constraint((T0331)F18.CB, (T0331)H31.CB) [> 4.5241 = 7.5402 < 9.8023] w=0.8440 to align # Constraint # added constraint: constraint((T0331)V62.CB, (T0331)T82.CB) [> 4.2773 = 7.1288 < 9.2675] w=0.8417 to align # Constraint # added constraint: constraint((T0331)G16.CA, (T0331)I34.CB) [> 3.7457 = 6.2428 < 8.1156] w=0.8334 to align # Constraint # added constraint: constraint((T0331)A32.CB, (T0331)F44.CB) [> 2.9181 = 4.8635 < 6.3226] w=0.8303 to align # Constraint # added constraint: constraint((T0331)R30.CB, (T0331)F52.CB) [> 3.5459 = 5.9099 < 7.6829] w=0.8293 to align # Constraint # added constraint: constraint((T0331)A66.CB, (T0331)V76.CB) [> 3.9337 = 6.5561 < 8.5229] w=0.8118 to align # Constraint # added constraint: constraint((T0331)T65.CB, (T0331)V76.CB) [> 3.6465 = 6.0775 < 7.9008] w=0.8118 to align # Constraint # added constraint: constraint((T0331)F18.CB, (T0331)A32.CB) [> 3.1402 = 5.2337 < 6.8038] w=0.8114 to align # Constraint # added constraint: constraint((T0331)A32.CB, (T0331)T46.CB) [> 4.0541 = 6.7568 < 8.7838] w=0.7988 to align # Constraint # added constraint: constraint((T0331)T20.CB, (T0331)F52.CB) [> 3.1494 = 5.2490 < 6.8237] w=0.7969 to align # Constraint # added constraint: constraint((T0331)T65.CB, (T0331)V79.CB) [> 4.4965 = 7.4941 < 9.7424] w=0.7935 to align # Constraint # added constraint: constraint((T0331)V15.CB, (T0331)H33.CB) [> 3.6437 = 6.0729 < 7.8948] w=0.7840 to align # Constraint # added constraint: constraint((T0331)T20.CB, (T0331)D59.CB) [> 4.1927 = 6.9879 < 9.0842] w=0.7823 to align # Constraint # added constraint: constraint((T0331)V15.CB, (T0331)A32.CB) [> 4.2293 = 7.0488 < 9.1634] w=0.7813 to align # Constraint # added constraint: constraint((T0331)H33.CB, (T0331)M45.CB) [> 4.3681 = 7.2802 < 9.4643] w=0.7725 to align # Constraint # added constraint: constraint((T0331)H33.CB, (T0331)F44.CB) [> 4.0233 = 6.7055 < 8.7171] w=0.7725 to align # Constraint # added constraint: constraint((T0331)Q60.CB, (T0331)R84.CB) [> 4.1382 = 6.8969 < 8.9660] w=0.7690 to align # Constraint # added constraint: constraint((T0331)A19.CB, (T0331)T65.CB) [> 4.4120 = 7.3534 < 9.5594] w=0.7406 to align # Constraint # added constraint: constraint((T0331)I67.CB, (T0331)V76.CB) [> 2.8541 = 4.7569 < 6.1840] w=0.7342 to align # Constraint # added constraint: constraint((T0331)V15.CB, (T0331)I34.CB) [> 4.1994 = 6.9990 < 9.0986] w=0.7219 to align # Constraint # added constraint: constraint((T0331)V15.CB, (T0331)A66.CB) [> 4.4742 = 7.4571 < 9.6942] w=0.7209 to align # Constraint # added constraint: constraint((T0331)V17.CB, (T0331)A66.CB) [> 4.6299 = 7.7165 < 10.0315] w=0.6826 to align # Constraint # added constraint: constraint((T0331)M45.CB, (T0331)V94.CB) [> 3.7940 = 6.3234 < 8.2205] w=0.6766 to align # Constraint # added constraint: constraint((T0331)L10.CB, (T0331)A66.CB) [> 3.7027 = 6.1712 < 8.0225] w=0.6361 to align # Constraint # added constraint: constraint((T0331)I34.CB, (T0331)M64.CB) [> 4.3095 = 7.1825 < 9.3373] w=0.6260 to align # Constraint # added constraint: constraint((T0331)G81.CA, (T0331)I118.CB) [> 3.3389 = 5.5648 < 7.2342] w=0.6072 to align # Constraint # added constraint: constraint((T0331)K14.CB, (T0331)H33.CB) [> 3.7178 = 6.1964 < 8.0553] w=0.6072 to align # Constraint # added constraint: constraint((T0331)I9.CB, (T0331)A66.CB) [> 3.6699 = 6.1165 < 7.9514] w=0.6024 to align # Constraint # added constraint: constraint((T0331)I6.CB, (T0331)V77.CB) [> 3.3229 = 5.5381 < 7.1996] w=0.6024 to align # Constraint # added constraint: constraint((T0331)T20.CB, (T0331)R61.CB) [> 4.4979 = 7.4965 < 9.7455] w=0.5936 to align # Constraint # added constraint: constraint((T0331)G16.CA, (T0331)H33.CB) [> 4.4785 = 7.4641 < 9.7033] w=0.5914 to align # Constraint # added constraint: constraint((T0331)V17.CB, (T0331)A32.CB) [> 4.4234 = 7.3724 < 9.5842] w=0.5823 to align # Constraint # added constraint: constraint((T0331)M45.CB, (T0331)V115.CB) [> 3.2834 = 5.4723 < 7.1140] w=0.5757 to align # Constraint # added constraint: constraint((T0331)F43.CB, (T0331)Q117.CB) [> 3.2057 = 5.3429 < 6.9458] w=0.5757 to align # Constraint # added constraint: constraint((T0331)E80.CB, (T0331)G121.CA) [> 3.6724 = 6.1207 < 7.9569] w=0.5754 to align # Constraint # added constraint: constraint((T0331)V86.CB, (T0331)V115.CB) [> 2.5948 = 4.3247 < 5.6221] w=0.5751 to align # Constraint # added constraint: constraint((T0331)F44.CB, (T0331)F116.CB) [> 3.1667 = 5.2779 < 6.8612] w=0.5751 to align # Constraint # added constraint: constraint((T0331)I42.CB, (T0331)I118.CB) [> 2.9471 = 4.9118 < 6.3854] w=0.5751 to align # Constraint # added constraint: constraint((T0331)V79.CB, (T0331)A120.CB) [> 3.2606 = 5.4344 < 7.0647] w=0.5751 to align # Constraint # added constraint: constraint((T0331)G81.CA, (T0331)Y119.CB) [> 3.4638 = 5.7730 < 7.5049] w=0.5751 to align # Constraint # added constraint: constraint((T0331)T82.CB, (T0331)Y119.CB) [> 3.3405 = 5.5675 < 7.2377] w=0.5751 to align # Constraint # added constraint: constraint((T0331)A83.CB, (T0331)F116.CB) [> 2.9883 = 4.9805 < 6.4746] w=0.5751 to align # Constraint # added constraint: constraint((T0331)A66.CB, (T0331)V79.CB) [> 4.5551 = 7.5919 < 9.8694] w=0.5687 to align # Constraint # added constraint: constraint((T0331)F43.CB, (T0331)F116.CB) [> 4.1452 = 6.9086 < 8.9812] w=0.5604 to align # Constraint # added constraint: constraint((T0331)F43.CB, (T0331)V115.CB) [> 3.5413 = 5.9022 < 7.6729] w=0.5604 to align # Constraint # added constraint: constraint((T0331)V62.CB, (T0331)I118.CB) [> 3.4303 = 5.7172 < 7.4324] w=0.5596 to align # Constraint # added constraint: constraint((T0331)M13.CB, (T0331)A66.CB) [> 3.0160 = 5.0266 < 6.5346] w=0.5595 to align # Constraint # added constraint: constraint((T0331)L91.CB, (T0331)V115.CB) [> 3.1517 = 5.2528 < 6.8287] w=0.5593 to align # Constraint # added constraint: constraint((T0331)R84.CB, (T0331)Q117.CB) [> 3.3033 = 5.5055 < 7.1572] w=0.5590 to align # Constraint # added constraint: constraint((T0331)A83.CB, (T0331)Q117.CB) [> 4.2372 = 7.0620 < 9.1806] w=0.5590 to align # Constraint # added constraint: constraint((T0331)L10.CB, (T0331)V77.CB) [> 3.7327 = 6.2213 < 8.0876] w=0.5579 to align # Constraint # added constraint: constraint((T0331)I9.CB, (T0331)V77.CB) [> 3.4037 = 5.6729 < 7.3748] w=0.5542 to align # Constraint # added constraint: constraint((T0331)V79.CB, (T0331)I118.CB) [> 3.8954 = 6.4923 < 8.4400] w=0.5458 to align # Constraint # added constraint: constraint((T0331)P85.CB, (T0331)F116.CB) [> 3.5650 = 5.9416 < 7.7241] w=0.5436 to align # Constraint # added constraint: constraint((T0331)T46.CB, (T0331)F116.CB) [> 3.8219 = 6.3699 < 8.2809] w=0.5436 to align # Constraint # added constraint: constraint((T0331)F44.CB, (T0331)V115.CB) [> 4.3360 = 7.2267 < 9.3947] w=0.5436 to align # Constraint # added constraint: constraint((T0331)I42.CB, (T0331)Q117.CB) [> 4.2373 = 7.0622 < 9.1808] w=0.5436 to align # Constraint # added constraint: constraint((T0331)R84.CB, (T0331)F116.CB) [> 4.0515 = 6.7525 < 8.7782] w=0.5436 to align # Constraint # added constraint: constraint((T0331)P85.CB, (T0331)V115.CB) [> 4.2900 = 7.1500 < 9.2950] w=0.5429 to align # Constraint # added constraint: constraint((T0331)G81.CA, (T0331)A120.CB) [> 3.5277 = 5.8795 < 7.6433] w=0.5429 to align # Constraint # added constraint: constraint((T0331)R78.CB, (T0331)G123.CA) [> 3.6010 = 6.0016 < 7.8021] w=0.5304 to align # Constraint # added constraint: constraint((T0331)V77.CB, (T0331)G123.CA) [> 4.1711 = 6.9518 < 9.0373] w=0.5304 to align # Constraint # added constraint: constraint((T0331)M45.CB, (T0331)Q114.CB) [> 4.2058 = 7.0097 < 9.1125] w=0.5283 to align # Constraint # added constraint: constraint((T0331)V86.CB, (T0331)F116.CB) [> 4.0923 = 6.8205 < 8.8667] w=0.5275 to align # Constraint # added constraint: constraint((T0331)P85.CB, (T0331)Q114.CB) [> 3.4560 = 5.7601 < 7.4881] w=0.5269 to align # Constraint # added constraint: constraint((T0331)T46.CB, (T0331)Q114.CB) [> 3.5979 = 5.9964 < 7.7953] w=0.5269 to align # Constraint # added constraint: constraint((T0331)I9.CB, (T0331)S68.CB) [> 3.7534 = 6.2557 < 8.1324] w=0.5238 to align # Constraint # added constraint: constraint((T0331)R78.CB, (T0331)F124.CB) [> 2.7837 = 4.6394 < 6.0313] w=0.5143 to align # Constraint # added constraint: constraint((T0331)K14.CB, (T0331)I34.CB) [> 3.6432 = 6.0720 < 7.8936] w=0.5119 to align # Constraint # added constraint: constraint((T0331)G81.CA, (T0331)G121.CA) [> 3.0409 = 5.0682 < 6.5886] w=0.5114 to align # Constraint # added constraint: constraint((T0331)T82.CB, (T0331)I118.CB) [> 4.2129 = 7.0215 < 9.1279] w=0.5114 to align # Constraint # added constraint: constraint((T0331)I9.CB, (T0331)Q75.CB) [> 3.6943 = 6.1572 < 8.0044] w=0.5075 to align # Constraint # added constraint: constraint((T0331)V79.CB, (T0331)H122.CB) [> 4.3960 = 7.3266 < 9.5246] w=0.4979 to align # Constraint # added constraint: constraint((T0331)V79.CB, (T0331)G123.CA) [> 3.1956 = 5.3260 < 6.9238] w=0.4959 to align # Constraint # added constraint: constraint((T0331)V86.CB, (T0331)Q117.CB) [> 3.4906 = 5.8177 < 7.5630] w=0.4954 to align # Constraint # added constraint: constraint((T0331)A83.CB, (T0331)I118.CB) [> 2.9358 = 4.8930 < 6.3609] w=0.4954 to align # Constraint # added constraint: constraint((T0331)M13.CB, (T0331)S68.CB) [> 4.1020 = 6.8367 < 8.8877] w=0.4950 to align # Constraint # added constraint: constraint((T0331)G16.CA, (T0331)I67.CB) [> 4.2183 = 7.0305 < 9.1397] w=0.4927 to align # Constraint # added constraint: constraint((T0331)V94.CB, (T0331)V115.CB) [> 3.4128 = 5.6880 < 7.3943] w=0.4822 to align # Constraint # added constraint: constraint((T0331)G41.CA, (T0331)Q117.CB) [> 3.7323 = 6.2205 < 8.0866] w=0.4801 to align # Constraint # added constraint: constraint((T0331)V77.CB, (T0331)Y125.CB) [> 3.1525 = 5.2542 < 6.8304] w=0.4798 to align # Constraint # added constraint: constraint((T0331)M45.CB, (T0331)F116.CB) [> 4.3885 = 7.3142 < 9.5085] w=0.4761 to align # Constraint # added constraint: constraint((T0331)E80.CB, (T0331)A120.CB) [> 4.1384 = 6.8973 < 8.9665] w=0.4755 to align # Constraint # added constraint: constraint((T0331)L10.CB, (T0331)A36.CB) [> 3.4274 = 5.7124 < 7.4261] w=0.4737 to align # Constraint # added constraint: constraint((T0331)E23.CB, (T0331)D59.CB) [> 4.2496 = 7.0827 < 9.2074] w=0.4718 to align # Constraint # added constraint: constraint((T0331)S47.CB, (T0331)M113.CB) [> 3.8165 = 6.3609 < 8.2691] w=0.4675 to align # Constraint # added constraint: constraint((T0331)Y90.CB, (T0331)V115.CB) [> 3.9257 = 6.5429 < 8.5057] w=0.4662 to align # Constraint # added constraint: constraint((T0331)E80.CB, (T0331)G123.CA) [> 3.7681 = 6.2802 < 8.1643] w=0.4638 to align # Constraint # added constraint: constraint((T0331)I67.CB, (T0331)V77.CB) [> 4.5397 = 7.5662 < 9.8360] w=0.4580 to align # Constraint # added constraint: constraint((T0331)E80.CB, (T0331)H122.CB) [> 2.5589 = 4.2648 < 5.5442] w=0.4501 to align # Constraint # added constraint: constraint((T0331)P48.CB, (T0331)M113.CB) [> 4.1848 = 6.9746 < 9.0670] w=0.4501 to align # Constraint # added constraint: constraint((T0331)G41.CA, (T0331)I118.CB) [> 3.7383 = 6.2305 < 8.0996] w=0.4480 to align # Constraint # added constraint: constraint((T0331)S47.CB, (T0331)Q114.CB) [> 4.2700 = 7.1167 < 9.2517] w=0.4469 to align # Constraint # added constraint: constraint((T0331)G81.CA, (T0331)H122.CB) [> 4.1818 = 6.9696 < 9.0605] w=0.4340 to align # Constraint # added constraint: constraint((T0331)I6.CB, (T0331)Y125.CB) [> 3.6809 = 6.1347 < 7.9752] w=0.4324 to align # Constraint # added constraint: constraint((T0331)I42.CB, (T0331)A120.CB) [> 4.0302 = 6.7171 < 8.7322] w=0.4312 to align # Constraint # added constraint: constraint((T0331)A32.CB, (T0331)M45.CB) [> 4.4991 = 7.4984 < 9.7480] w=0.4303 to align # Constraint # added constraint: constraint((T0331)M64.CB, (T0331)E80.CB) [> 4.6259 = 7.7098 < 10.0228] w=0.4289 to align # Constraint # added constraint: constraint((T0331)F43.CB, (T0331)V94.CB) [> 3.2780 = 5.4634 < 7.1024] w=0.4259 to align # Constraint # added constraint: constraint((T0331)T20.CB, (T0331)A83.CB) [> 4.5324 = 7.5541 < 9.8203] w=0.4256 to align # Constraint # added constraint: constraint((T0331)L56.CB, (T0331)F116.CB) [> 3.8124 = 6.3539 < 8.2601] w=0.4179 to align # Constraint # added constraint: constraint((T0331)V86.CB, (T0331)Q114.CB) [> 3.9253 = 6.5422 < 8.5049] w=0.4179 to align # Constraint # added constraint: constraint((T0331)V79.CB, (T0331)G121.CA) [> 4.2562 = 7.0936 < 9.2217] w=0.4148 to align # Constraint # added constraint: constraint((T0331)M57.CB, (T0331)P85.CB) [> 4.0514 = 6.7524 < 8.7781] w=0.4133 to align # Constraint # added constraint: constraint((T0331)T20.CB, (T0331)H51.CB) [> 4.6090 = 7.6817 < 9.9862] w=0.4076 to align # Constraint # added constraint: constraint((T0331)V17.CB, (T0331)I67.CB) [> 4.2204 = 7.0340 < 9.1442] w=0.3992 to align # Constraint # added constraint: constraint((T0331)G41.CA, (T0331)Y119.CB) [> 3.5028 = 5.8380 < 7.5894] w=0.3990 to align # Constraint # added constraint: constraint((T0331)T46.CB, (T0331)M113.CB) [> 4.1354 = 6.8923 < 8.9600] w=0.3988 to align # Constraint # added constraint: constraint((T0331)M45.CB, (T0331)L91.CB) [> 4.4318 = 7.3863 < 9.6022] w=0.3903 to align # Constraint # added constraint: constraint((T0331)S47.CB, (T0331)T112.CB) [> 3.6218 = 6.0364 < 7.8473] w=0.3886 to align # Constraint # added constraint: constraint((T0331)L91.CB, (T0331)M113.CB) [> 3.9763 = 6.6271 < 8.6152] w=0.3709 to align # Constraint # added constraint: constraint((T0331)I34.CB, (T0331)A66.CB) [> 4.6521 = 7.7534 < 10.0795] w=0.3705 to align # Constraint # added constraint: constraint((T0331)L10.CB, (T0331)I42.CB) [> 4.3320 = 7.2200 < 9.3860] w=0.3666 to align # Constraint # added constraint: constraint((T0331)V76.CB, (T0331)H126.CB) [> 2.9858 = 4.9764 < 6.4693] w=0.3521 to align # Constraint # added constraint: constraint((T0331)M13.CB, (T0331)I34.CB) [> 4.2690 = 7.1151 < 9.2496] w=0.3481 to align # Constraint # added constraint: constraint((T0331)A32.CB, (T0331)M64.CB) [> 4.5494 = 7.5824 < 9.8571] w=0.3421 to align # Constraint # added constraint: constraint((T0331)T20.CB, (T0331)A29.CB) [> 4.5870 = 7.6450 < 9.9385] w=0.3419 to align # Constraint # added constraint: constraint((T0331)P48.CB, (T0331)T112.CB) [> 2.8829 = 4.8049 < 6.2463] w=0.3405 to align # Constraint # added constraint: constraint((T0331)M45.CB, (T0331)Y101.CB) [> 3.6304 = 6.0507 < 7.8659] w=0.3326 to align # Constraint # added constraint: constraint((T0331)D12.CB, (T0331)S68.CB) [> 3.7226 = 6.2043 < 8.0657] w=0.3323 to align # Constraint # added constraint: constraint((T0331)T20.CB, (T0331)R30.CB) [> 4.3548 = 7.2580 < 9.4354] w=0.3323 to align # Constraint # added constraint: constraint((T0331)Q75.CB, (T0331)H126.CB) [> 4.0269 = 6.7115 < 8.7249] w=0.3214 to align # Constraint # added constraint: constraint((T0331)M64.CB, (T0331)V77.CB) [> 4.2215 = 7.0358 < 9.1466] w=0.3179 to align # Constraint # added constraint: constraint((T0331)I9.CB, (T0331)I67.CB) [> 4.2790 = 7.1316 < 9.2711] w=0.3159 to align # Constraint # added constraint: constraint((T0331)E49.CB, (T0331)T112.CB) [> 3.6906 = 6.1511 < 7.9964] w=0.3094 to align # Constraint # added constraint: constraint((T0331)R78.CB, (T0331)H122.CB) [> 4.1687 = 6.9479 < 9.0322] w=0.3081 to align # Constraint # added constraint: constraint((T0331)A66.CB, (T0331)Q75.CB) [> 4.1593 = 6.9321 < 9.0118] w=0.3060 to align # Constraint # added constraint: constraint((T0331)F18.CB, (T0331)T65.CB) [> 4.6265 = 7.7108 < 10.0240] w=0.3055 to align # Constraint # added constraint: constraint((T0331)V76.CB, (T0331)Y125.CB) [> 4.1722 = 6.9536 < 9.0397] w=0.2893 to align # Constraint # added constraint: constraint((T0331)Q75.CB, (T0331)Y125.CB) [> 4.1481 = 6.9135 < 8.9876] w=0.2893 to align # Constraint # added constraint: constraint((T0331)E11.CB, (T0331)A36.CB) [> 3.4705 = 5.7842 < 7.5195] w=0.2863 to align # Constraint # added constraint: constraint((T0331)I9.CB, (T0331)V76.CB) [> 4.1947 = 6.9911 < 9.0885] w=0.2838 to align # Constraint # added constraint: constraint((T0331)F95.CB, (T0331)M113.CB) [> 3.8758 = 6.4597 < 8.3976] w=0.2745 to align # Constraint # added constraint: constraint((T0331)M13.CB, (T0331)I67.CB) [> 4.1391 = 6.8985 < 8.9680] w=0.2730 to align # Constraint # added constraint: constraint((T0331)I9.CB, (T0331)Y125.CB) [> 4.1225 = 6.8708 < 8.9321] w=0.2558 to align # Constraint # added constraint: constraint((T0331)S47.CB, (T0331)D111.CB) [> 3.1667 = 5.2778 < 6.8612] w=0.2555 to align # Constraint # added constraint: constraint((T0331)M7.CB, (T0331)N38.CB) [> 4.0524 = 6.7540 < 8.7802] w=0.2542 to align # Constraint # added constraint: constraint((T0331)F95.CB, (T0331)V115.CB) [> 3.7091 = 6.1818 < 8.0364] w=0.2498 to align # Constraint # added constraint: constraint((T0331)A37.CB, (T0331)V94.CB) [> 3.9967 = 6.6611 < 8.6594] w=0.2492 to align # Constraint # added constraint: constraint((T0331)I6.CB, (T0331)Q75.CB) [> 3.8398 = 6.3996 < 8.3195] w=0.2441 to align # Constraint # added constraint: constraint((T0331)F44.CB, (T0331)M64.CB) [> 4.4565 = 7.4275 < 9.6557] w=0.2338 to align # Constraint # added constraint: constraint((T0331)M45.CB, (T0331)N98.CB) [> 3.7534 = 6.2557 < 8.1324] w=0.2331 to align # Constraint # added constraint: constraint((T0331)V15.CB, (T0331)I67.CB) [> 4.2105 = 7.0175 < 9.1228] w=0.2295 to align # Constraint # added constraint: constraint((T0331)T20.CB, (T0331)A63.CB) [> 4.6859 = 7.8098 < 10.1528] w=0.2281 to align # Constraint # added constraint: constraint((T0331)H122.CB, (T0331)I138.CB) [> 3.8944 = 6.4906 < 8.4378] w=0.2281 to align # Constraint # added constraint: constraint((T0331)P85.CB, (T0331)Q117.CB) [> 4.6045 = 7.6742 < 9.9765] w=0.2252 to align # Constraint # added constraint: constraint((T0331)V62.CB, (T0331)F116.CB) [> 4.3969 = 7.3282 < 9.5267] w=0.2246 to align # Constraint # added constraint: constraint((T0331)L10.CB, (T0331)V79.CB) [> 4.1821 = 6.9702 < 9.0613] w=0.2206 to align # Constraint # added constraint: constraint((T0331)D22.CB, (T0331)D54.CB) [> 4.2820 = 7.1366 < 9.2776] w=0.2148 to align # Constraint # added constraint: constraint((T0331)H122.CB, (T0331)S137.CB) [> 3.7608 = 6.2680 < 8.1484] w=0.2120 to align # Constraint # added constraint: constraint((T0331)F124.CB, (T0331)F136.CB) [> 4.1676 = 6.9461 < 9.0299] w=0.2120 to align # Constraint # added constraint: constraint((T0331)F124.CB, (T0331)I135.CB) [> 3.5834 = 5.9724 < 7.7641] w=0.2120 to align # Constraint # added constraint: constraint((T0331)S47.CB, (T0331)S110.CB) [> 3.9944 = 6.6573 < 8.6545] w=0.2058 to align # Constraint # added constraint: constraint((T0331)A19.CB, (T0331)R30.CB) [> 4.5163 = 7.5271 < 9.7853] w=0.2017 to align # Constraint # added constraint: constraint((T0331)M7.CB, (T0331)A36.CB) [> 4.4951 = 7.4918 < 9.7393] w=0.2007 to align # Constraint # added constraint: constraint((T0331)R30.CB, (T0331)T50.CB) [> 4.3116 = 7.1860 < 9.3418] w=0.2002 to align # Constraint # added constraint: constraint((T0331)Y125.CB, (T0331)F136.CB) [> 3.2756 = 5.4593 < 7.0971] w=0.1960 to align # Constraint # added constraint: constraint((T0331)Y125.CB, (T0331)I135.CB) [> 4.3044 = 7.1740 < 9.3261] w=0.1959 to align # Constraint # added constraint: constraint((T0331)I74.CB, (T0331)H126.CB) [> 3.3963 = 5.6604 < 7.3585] w=0.1929 to align # Constraint # added constraint: constraint((T0331)I42.CB, (T0331)Y119.CB) [> 4.5817 = 7.6362 < 9.9271] w=0.1913 to align # Constraint # added constraint: constraint((T0331)T35.CB, (T0331)I104.CB) [> 2.9689 = 4.9481 < 6.4325] w=0.1896 to align # Constraint # added constraint: constraint((T0331)L10.CB, (T0331)I34.CB) [> 4.0651 = 6.7752 < 8.8078] w=0.1891 to align # Constraint # added constraint: constraint((T0331)L10.CB, (T0331)A37.CB) [> 3.5313 = 5.8856 < 7.6512] w=0.1783 to align # Constraint # added constraint: constraint((T0331)I74.CB, (T0331)L128.CB) [> 3.2196 = 5.3660 < 6.9758] w=0.1783 to align # Constraint # added constraint: constraint((T0331)M7.CB, (T0331)E39.CB) [> 3.2759 = 5.4599 < 7.0979] w=0.1767 to align # Constraint # added constraint: constraint((T0331)M45.CB, (T0331)I104.CB) [> 4.1906 = 6.9844 < 9.0798] w=0.1763 to align # Constraint # added constraint: constraint((T0331)T46.CB, (T0331)V115.CB) [> 4.2633 = 7.1054 < 9.2371] w=0.1756 to align # Constraint # added constraint: constraint((T0331)A37.CB, (T0331)D97.CB) [> 4.1095 = 6.8492 < 8.9039] w=0.1752 to align # Constraint # added constraint: constraint((T0331)P27.CB, (T0331)A63.CB) [> 4.5054 = 7.5091 < 9.7618] w=0.1695 to align # Constraint # added constraint: constraint((T0331)F18.CB, (T0331)T46.CB) [> 4.6514 = 7.7523 < 10.0780] w=0.1667 to align # Constraint # added constraint: constraint((T0331)I9.CB, (T0331)L73.CB) [> 3.9971 = 6.6618 < 8.6603] w=0.1654 to align # Constraint # added constraint: constraint((T0331)H126.CB, (T0331)I135.CB) [> 3.2220 = 5.3700 < 6.9810] w=0.1638 to align # Constraint # added constraint: constraint((T0331)G123.CA, (T0331)I138.CB) [> 3.0415 = 5.0692 < 6.5900] w=0.1638 to align # Constraint # added constraint: constraint((T0331)G41.CA, (T0331)V79.CB) [> 4.5102 = 7.5170 < 9.7722] w=0.1630 to align # Constraint # added constraint: constraint((T0331)V76.CB, (T0331)F124.CB) [> 4.2473 = 7.0788 < 9.2024] w=0.1622 to align # Constraint # added constraint: constraint((T0331)Y72.CB, (T0331)S127.CB) [> 3.1865 = 5.3109 < 6.9042] w=0.1622 to align # Constraint # added constraint: constraint((T0331)D5.CB, (T0331)Q75.CB) [> 4.2449 = 7.0749 < 9.1973] w=0.1613 to align # Constraint # added constraint: constraint((T0331)Q75.CB, (T0331)L128.CB) [> 4.1459 = 6.9099 < 8.9829] w=0.1582 to align # Constraint # added constraint: constraint((T0331)V17.CB, (T0331)A63.CB) [> 4.6348 = 7.7247 < 10.0422] w=0.1582 to align # Constraint # added constraint: constraint((T0331)T35.CB, (T0331)N98.CB) [> 3.4218 = 5.7029 < 7.4138] w=0.1578 to align # Constraint # added constraint: constraint((T0331)F124.CB, (T0331)S137.CB) [> 2.6782 = 4.4636 < 5.8027] w=0.1478 to align # Constraint # added constraint: constraint((T0331)F124.CB, (T0331)I138.CB) [> 4.4088 = 7.3479 < 9.5523] w=0.1478 to align # Constraint # added constraint: constraint((T0331)L10.CB, (T0331)L73.CB) [> 3.9437 = 6.5728 < 8.5447] w=0.1478 to align # Constraint # added constraint: constraint((T0331)M13.CB, (T0331)L73.CB) [> 4.0630 = 6.7716 < 8.8031] w=0.1462 to align # Constraint # added constraint: constraint((T0331)F44.CB, (T0331)V146.CB) [> 3.4230 = 5.7050 < 7.4165] w=0.1462 to align # Constraint # added constraint: constraint((T0331)M45.CB, (T0331)E145.CB) [> 3.1889 = 5.3148 < 6.9092] w=0.1462 to align # Constraint # added constraint: constraint((T0331)P85.CB, (T0331)E145.CB) [> 4.2134 = 7.0224 < 9.1291] w=0.1462 to align # Constraint # added constraint: constraint((T0331)P85.CB, (T0331)V146.CB) [> 3.6789 = 6.1315 < 7.9710] w=0.1462 to align # Constraint # added constraint: constraint((T0331)L91.CB, (T0331)E145.CB) [> 3.2604 = 5.4341 < 7.0643] w=0.1462 to align # Constraint # added constraint: constraint((T0331)T65.CB, (T0331)I74.CB) [> 3.5863 = 5.9772 < 7.7704] w=0.1462 to align # Constraint # added constraint: constraint((T0331)L10.CB, (T0331)Q75.CB) [> 3.9980 = 6.6633 < 8.6623] w=0.1461 to align # Constraint # added constraint: constraint((T0331)Y53.CB, (T0331)T112.CB) [> 4.6501 = 7.7502 < 10.0753] w=0.1439 to align # Constraint # added constraint: constraint((T0331)L73.CB, (T0331)Y125.CB) [> 4.3623 = 7.2705 < 9.4517] w=0.1438 to align # Constraint # added constraint: constraint((T0331)F43.CB, (T0331)Y101.CB) [> 3.5157 = 5.8595 < 7.6173] w=0.1431 to align # Constraint # added constraint: constraint((T0331)H33.CB, (T0331)Y101.CB) [> 3.9703 = 6.6172 < 8.6023] w=0.1431 to align # Constraint # added constraint: constraint((T0331)T35.CB, (T0331)H103.CB) [> 3.7003 = 6.1672 < 8.0174] w=0.1428 to align # Constraint # added constraint: constraint((T0331)G121.CA, (T0331)G139.CA) [> 3.5224 = 5.8707 < 7.6319] w=0.1317 to align # Constraint # added constraint: constraint((T0331)H122.CB, (T0331)G139.CA) [> 2.8691 = 4.7819 < 6.2165] w=0.1317 to align # Constraint # added constraint: constraint((T0331)G123.CA, (T0331)G139.CA) [> 4.0577 = 6.7628 < 8.7916] w=0.1317 to align # Constraint # added constraint: constraint((T0331)I74.CB, (T0331)S127.CB) [> 3.8953 = 6.4922 < 8.4399] w=0.1317 to align # Constraint # added constraint: constraint((T0331)F43.CB, (T0331)A148.CB) [> 4.4034 = 7.3391 < 9.5408] w=0.1301 to align # Constraint # added constraint: constraint((T0331)I42.CB, (T0331)R147.CB) [> 4.2219 = 7.0365 < 9.1474] w=0.1301 to align # Constraint # added constraint: constraint((T0331)I42.CB, (T0331)A148.CB) [> 2.7780 = 4.6301 < 6.0191] w=0.1301 to align # Constraint # added constraint: constraint((T0331)F43.CB, (T0331)E145.CB) [> 3.4662 = 5.7769 < 7.5100] w=0.1301 to align # Constraint # added constraint: constraint((T0331)T46.CB, (T0331)V146.CB) [> 4.0757 = 6.7929 < 8.8308] w=0.1301 to align # Constraint # added constraint: constraint((T0331)Y90.CB, (T0331)E145.CB) [> 3.6889 = 6.1482 < 7.9926] w=0.1301 to align # Constraint # added constraint: constraint((T0331)L73.CB, (T0331)H126.CB) [> 3.6416 = 6.0692 < 7.8900] w=0.1301 to align # Constraint # added constraint: constraint((T0331)S47.CB, (T0331)E142.CB) [> 3.3417 = 5.5694 < 7.2403] w=0.1301 to align # Constraint # added constraint: constraint((T0331)G121.CA, (T0331)I138.CB) [> 3.9560 = 6.5932 < 8.5712] w=0.1285 to align # Constraint # added constraint: constraint((T0331)M13.CB, (T0331)E70.CB) [> 3.6782 = 6.1304 < 7.9695] w=0.1272 to align # Constraint # added constraint: constraint((T0331)T35.CB, (T0331)Y100.CB) [> 2.7556 = 4.5927 < 5.9705] w=0.1271 to align # Constraint # added constraint: constraint((T0331)H33.CB, (T0331)Y105.CB) [> 3.6848 = 6.1414 < 7.9838] w=0.1271 to align # Constraint # added constraint: constraint((T0331)K14.CB, (T0331)Y105.CB) [> 3.8998 = 6.4997 < 8.4497] w=0.1271 to align # Constraint # added constraint: constraint((T0331)G16.CA, (T0331)F44.CB) [> 4.6045 = 7.6743 < 9.9765] w=0.1257 to align # Constraint # added constraint: constraint((T0331)K92.CB, (T0331)V115.CB) [> 3.4490 = 5.7484 < 7.4729] w=0.1242 to align # Constraint # added constraint: constraint((T0331)E80.CB, (T0331)I118.CB) [> 4.3323 = 7.2205 < 9.3867] w=0.1150 to align # Constraint # added constraint: constraint((T0331)F95.CB, (T0331)G139.CA) [> 3.2807 = 5.4679 < 7.1082] w=0.1140 to align # Constraint # added constraint: constraint((T0331)T82.CB, (T0331)A148.CB) [> 4.3499 = 7.2499 < 9.4248] w=0.1140 to align # Constraint # added constraint: constraint((T0331)Y72.CB, (T0331)L128.CB) [> 3.1945 = 5.3242 < 6.9214] w=0.1140 to align # Constraint # added constraint: constraint((T0331)Y125.CB, (T0331)S137.CB) [> 4.6636 = 7.7726 < 10.1044] w=0.1124 to align # Constraint # added constraint: constraint((T0331)H126.CB, (T0331)F136.CB) [> 4.5269 = 7.5448 < 9.8083] w=0.1124 to align # Constraint # added constraint: constraint((T0331)Y53.CB, (T0331)F116.CB) [> 4.1422 = 6.9037 < 8.9748] w=0.1124 to align # Constraint # added constraint: constraint((T0331)I9.CB, (T0331)E69.CB) [> 4.5307 = 7.5511 < 9.8164] w=0.1124 to align # Constraint # added constraint: constraint((T0331)T20.CB, (T0331)Y53.CB) [> 4.0812 = 6.8020 < 8.8427] w=0.1110 to align # Constraint # added constraint: constraint((T0331)L21.CB, (T0331)L56.CB) [> 4.3000 = 7.1666 < 9.3166] w=0.1110 to align # Constraint # added constraint: constraint((T0331)H33.CB, (T0331)I104.CB) [> 4.3330 = 7.2217 < 9.3883] w=0.1107 to align # Constraint # added constraint: constraint((T0331)F18.CB, (T0331)F116.CB) [> 4.6184 = 7.6973 < 10.0065] w=0.1104 to align # Constraint # added constraint: constraint((T0331)I104.CB, (T0331)M113.CB) [> 3.7899 = 6.3164 < 8.2114] w=0.1097 to align # Constraint # added constraint: constraint((T0331)A29.CB, (T0331)A63.CB) [> 4.5505 = 7.5841 < 9.8594] w=0.1067 to align # Constraint # added constraint: constraint((T0331)I104.CB, (T0331)Y125.CB) [> 3.6199 = 6.0332 < 7.8432] w=0.0980 to align # Constraint # added constraint: constraint((T0331)Y105.CB, (T0331)Y125.CB) [> 3.7409 = 6.2348 < 8.1053] w=0.0980 to align # Constraint # added constraint: constraint((T0331)I74.CB, (T0331)Y125.CB) [> 4.3237 = 7.2062 < 9.3680] w=0.0980 to align # Constraint # added constraint: constraint((T0331)T46.CB, (T0331)H143.CB) [> 4.4525 = 7.4208 < 9.6471] w=0.0980 to align # Constraint # added constraint: constraint((T0331)A120.CB, (T0331)I138.CB) [> 4.3145 = 7.1909 < 9.3482] w=0.0964 to align # Constraint # added constraint: constraint((T0331)A96.CB, (T0331)F136.CB) [> 3.9552 = 6.5920 < 8.5696] w=0.0964 to align # Constraint # added constraint: constraint((T0331)I42.CB, (T0331)G81.CA) [> 4.7256 = 7.8759 < 10.2387] w=0.0964 to align # Constraint # added constraint: constraint((T0331)L10.CB, (T0331)Y125.CB) [> 4.4530 = 7.4216 < 9.6481] w=0.0964 to align # Constraint # added constraint: constraint((T0331)H28.CB, (T0331)Y53.CB) [> 3.2858 = 5.4763 < 7.1192] w=0.0964 to align # Constraint # added constraint: constraint((T0331)Y24.CB, (T0331)F52.CB) [> 4.1203 = 6.8672 < 8.9274] w=0.0964 to align # Constraint # added constraint: constraint((T0331)Y72.CB, (T0331)T129.CB) [> 3.9685 = 6.6142 < 8.5985] w=0.0963 to align # Constraint # added constraint: constraint((T0331)V77.CB, (T0331)H122.CB) [> 3.7842 = 6.3071 < 8.1992] w=0.0961 to align # Constraint # added constraint: constraint((T0331)Y90.CB, (T0331)Q117.CB) [> 4.3582 = 7.2636 < 9.4426] w=0.0935 to align # Constraint # added constraint: constraint((T0331)L3.CB, (T0331)Y125.CB) [> 4.1083 = 6.8471 < 8.9013] w=0.0935 to align # Constraint # added constraint: constraint((T0331)E87.CB, (T0331)Q114.CB) [> 3.3655 = 5.6091 < 7.2918] w=0.0935 to align # Constraint # added constraint: constraint((T0331)Y101.CB, (T0331)M113.CB) [> 3.9786 = 6.6310 < 8.6203] w=0.0922 to align # Constraint # added constraint: constraint((T0331)F18.CB, (T0331)H28.CB) [> 4.2975 = 7.1624 < 9.3112] w=0.0921 to align # Constraint # added constraint: constraint((T0331)Q75.CB, (T0331)T129.CB) [> 3.9547 = 6.5912 < 8.5685] w=0.0912 to align # Constraint # added constraint: constraint((T0331)A29.CB, (T0331)T65.CB) [> 4.7338 = 7.8896 < 10.2565] w=0.0849 to align # Constraint # added constraint: constraint((T0331)I74.CB, (T0331)F124.CB) [> 4.6262 = 7.7104 < 10.0235] w=0.0819 to align # Constraint # added constraint: constraint((T0331)V62.CB, (T0331)V146.CB) [> 4.7364 = 7.8939 < 10.2621] w=0.0819 to align # Constraint # added constraint: constraint((T0331)M13.CB, (T0331)Y125.CB) [> 4.2338 = 7.0563 < 9.1732] w=0.0803 to align # Constraint # added constraint: constraint((T0331)I6.CB, (T0331)I138.CB) [> 2.4037 = 4.0062 < 5.2080] w=0.0803 to align # Constraint # added constraint: constraint((T0331)D107.CB, (T0331)I138.CB) [> 4.6001 = 7.6668 < 9.9668] w=0.0803 to align # Constraint # added constraint: constraint((T0331)H33.CB, (T0331)Y100.CB) [> 4.5352 = 7.5586 < 9.8262] w=0.0803 to align # Constraint # added constraint: constraint((T0331)I9.CB, (T0331)S127.CB) [> 4.1530 = 6.9216 < 8.9981] w=0.0803 to align # Constraint # added constraint: constraint((T0331)M45.CB, (T0331)Y125.CB) [> 3.6228 = 6.0380 < 7.8494] w=0.0803 to align # Constraint # added constraint: constraint((T0331)Y72.CB, (T0331)H126.CB) [> 3.2829 = 5.4716 < 7.1130] w=0.0803 to align # Constraint # added constraint: constraint((T0331)A63.CB, (T0331)V76.CB) [> 3.4515 = 5.7524 < 7.4782] w=0.0779 to align # Constraint # added constraint: constraint((T0331)A63.CB, (T0331)V77.CB) [> 4.0017 = 6.6695 < 8.6704] w=0.0779 to align # Constraint # added constraint: constraint((T0331)T65.CB, (T0331)Q75.CB) [> 4.4188 = 7.3647 < 9.5741] w=0.0779 to align # Constraint # added constraint: constraint((T0331)L21.CB, (T0331)G58.CA) [> 3.9057 = 6.5095 < 8.4624] w=0.0775 to align # Constraint # added constraint: constraint((T0331)L21.CB, (T0331)Q60.CB) [> 4.2845 = 7.1409 < 9.2832] w=0.0774 to align # Constraint # added constraint: constraint((T0331)M13.CB, (T0331)H33.CB) [> 4.1176 = 6.8627 < 8.9215] w=0.0768 to align # Constraint # added constraint: constraint((T0331)K14.CB, (T0331)I67.CB) [> 2.9874 = 4.9791 < 6.4728] w=0.0753 to align # Constraint # added constraint: constraint((T0331)F43.CB, (T0331)Y90.CB) [> 4.7549 = 7.9249 < 10.3023] w=0.0690 to align # Constraint # added constraint: constraint((T0331)L3.CB, (T0331)M13.CB) [> 3.8711 = 6.4519 < 8.3875] w=0.0659 to align # Constraint # added constraint: constraint((T0331)H122.CB, (T0331)Q140.CB) [> 4.2525 = 7.0874 < 9.2137] w=0.0642 to align # Constraint # added constraint: constraint((T0331)H122.CB, (T0331)I135.CB) [> 3.7125 = 6.1875 < 8.0438] w=0.0642 to align # Constraint # added constraint: constraint((T0331)H122.CB, (T0331)F136.CB) [> 4.0764 = 6.7940 < 8.8323] w=0.0642 to align # Constraint # added constraint: constraint((T0331)G123.CA, (T0331)F136.CB) [> 2.9025 = 4.8375 < 6.2887] w=0.0642 to align # Constraint # added constraint: constraint((T0331)H122.CB, (T0331)Y134.CB) [> 4.4836 = 7.4727 < 9.7146] w=0.0642 to align # Constraint # added constraint: constraint((T0331)G16.CA, (T0331)R30.CB) [> 4.0456 = 6.7427 < 8.7655] w=0.0639 to align # Constraint # added constraint: constraint((T0331)F44.CB, (T0331)V94.CB) [> 4.1376 = 6.8960 < 8.9648] w=0.0628 to align # Constraint # added constraint: constraint((T0331)L73.CB, (T0331)G131.CA) [> 3.9314 = 6.5523 < 8.5180] w=0.0628 to align # Constraint # added constraint: constraint((T0331)T20.CB, (T0331)Q60.CB) [> 4.3985 = 7.3309 < 9.5301] w=0.0628 to align # Constraint # added constraint: constraint((T0331)V15.CB, (T0331)T65.CB) [> 3.8347 = 6.3911 < 8.3084] w=0.0628 to align # Constraint # added constraint: constraint((T0331)G16.CA, (T0331)A29.CB) [> 3.6019 = 6.0031 < 7.8041] w=0.0628 to align # Constraint # added constraint: constraint((T0331)V17.CB, (T0331)F44.CB) [> 4.1305 = 6.8842 < 8.9495] w=0.0628 to align # Constraint # added constraint: constraint((T0331)V17.CB, (T0331)V62.CB) [> 3.5742 = 5.9570 < 7.7441] w=0.0628 to align # Constraint # added constraint: constraint((T0331)F18.CB, (T0331)P27.CB) [> 3.3961 = 5.6602 < 7.3583] w=0.0628 to align # Constraint # added constraint: constraint((T0331)A19.CB, (T0331)L56.CB) [> 3.5741 = 5.9568 < 7.7439] w=0.0628 to align # Constraint # added constraint: constraint((T0331)V76.CB, (T0331)L128.CB) [> 4.2611 = 7.1019 < 9.2324] w=0.0619 to align # Constraint # added constraint: constraint((T0331)E2.CB, (T0331)Y125.CB) [> 4.6159 = 7.6932 < 10.0012] w=0.0614 to align # Constraint # added constraint: constraint((T0331)Y125.CB, (T0331)I138.CB) [> 4.2903 = 7.1505 < 9.2957] w=0.0514 to align # Constraint # added constraint: constraint((T0331)L3.CB, (T0331)K14.CB) [> 4.4859 = 7.4766 < 9.7196] w=0.0498 to align # Constraint # added constraint: constraint((T0331)L3.CB, (T0331)A66.CB) [> 4.6979 = 7.8298 < 10.1788] w=0.0498 to align # Constraint # added constraint: constraint((T0331)I9.CB, (T0331)I74.CB) [> 4.0928 = 6.8213 < 8.8677] w=0.0482 to align # Constraint # added constraint: constraint((T0331)M45.CB, (T0331)Q102.CB) [> 4.7669 = 7.9448 < 10.3282] w=0.0482 to align # Constraint # added constraint: constraint((T0331)M45.CB, (T0331)H132.CB) [> 3.9944 = 6.6574 < 8.6546] w=0.0482 to align # Constraint # added constraint: constraint((T0331)S47.CB, (T0331)G141.CA) [> 4.0063 = 6.6772 < 8.6804] w=0.0482 to align # Constraint # added constraint: constraint((T0331)F44.CB, (T0331)Q114.CB) [> 3.4291 = 5.7152 < 7.4298] w=0.0476 to align # Constraint # added constraint: constraint((T0331)F44.CB, (T0331)Y101.CB) [> 4.2168 = 7.0280 < 9.1364] w=0.0468 to align # Constraint # added constraint: constraint((T0331)F43.CB, (T0331)Q114.CB) [> 3.8841 = 6.4735 < 8.4155] w=0.0452 to align # Constraint # added constraint: constraint((T0331)P27.CB, (T0331)R61.CB) [> 4.7516 = 7.9194 < 10.2952] w=0.0439 to align # Constraint # added constraint: constraint((T0331)A63.CB, (T0331)I118.CB) [> 4.7502 = 7.9170 < 10.2921] w=0.0353 to align # Constraint # added constraint: constraint((T0331)Y100.CB, (T0331)F136.CB) [> 3.1369 = 5.2282 < 6.7967] w=0.0321 to align # Constraint # added constraint: constraint((T0331)H103.CB, (T0331)F136.CB) [> 3.7076 = 6.1793 < 8.0331] w=0.0321 to align # Constraint # added constraint: constraint((T0331)L128.CB, (T0331)S137.CB) [> 3.8008 = 6.3346 < 8.2350] w=0.0321 to align # Constraint # added constraint: constraint((T0331)Y100.CB, (T0331)Y134.CB) [> 3.6201 = 6.0336 < 7.8436] w=0.0321 to align # Constraint # added constraint: constraint((T0331)R78.CB, (T0331)S137.CB) [> 4.4362 = 7.3937 < 9.6118] w=0.0321 to align # Constraint # added constraint: constraint((T0331)F95.CB, (T0331)F136.CB) [> 4.5950 = 7.6583 < 9.9557] w=0.0321 to align # Constraint # added constraint: constraint((T0331)I9.CB, (T0331)F136.CB) [> 4.5720 = 7.6200 < 9.9060] w=0.0321 to align # Constraint # added constraint: constraint((T0331)F18.CB, (T0331)A148.CB) [> 4.7684 = 7.9472 < 10.3314] w=0.0321 to align # Constraint # added constraint: constraint((T0331)M45.CB, (T0331)H122.CB) [> 4.0336 = 6.7227 < 8.7395] w=0.0321 to align # Constraint # added constraint: constraint((T0331)L91.CB, (T0331)V146.CB) [> 3.5968 = 5.9947 < 7.7931] w=0.0321 to align # Constraint # added constraint: constraint((T0331)H126.CB, (T0331)S137.CB) [> 3.3612 = 5.6020 < 7.2826] w=0.0321 to align # Constraint # added constraint: constraint((T0331)F43.CB, (T0331)Y119.CB) [> 3.2215 = 5.3692 < 6.9800] w=0.0321 to align # Constraint # added constraint: constraint((T0331)F44.CB, (T0331)A120.CB) [> 4.4321 = 7.3868 < 9.6028] w=0.0321 to align # Constraint # added constraint: constraint((T0331)T46.CB, (T0331)I118.CB) [> 3.3965 = 5.6608 < 7.3591] w=0.0321 to align # Constraint # added constraint: constraint((T0331)T65.CB, (T0331)S127.CB) [> 4.5625 = 7.6042 < 9.8854] w=0.0321 to align # Constraint # added constraint: constraint((T0331)T93.CB, (T0331)Q117.CB) [> 2.8900 = 4.8166 < 6.2616] w=0.0321 to align # Constraint # added constraint: constraint((T0331)Y134.CB, (T0331)V146.CB) [> 4.3480 = 7.2467 < 9.4207] w=0.0321 to align # Constraint # added constraint: constraint((T0331)Y134.CB, (T0331)E145.CB) [> 4.2286 = 7.0476 < 9.1619] w=0.0321 to align # Constraint # added constraint: constraint((T0331)I6.CB, (T0331)F136.CB) [> 4.3211 = 7.2018 < 9.3624] w=0.0321 to align # Constraint # added constraint: constraint((T0331)M45.CB, (T0331)I138.CB) [> 3.9379 = 6.5631 < 8.5321] w=0.0321 to align # Constraint # added constraint: constraint((T0331)H132.CB, (T0331)H143.CB) [> 3.5786 = 5.9643 < 7.7536] w=0.0321 to align # Constraint # added constraint: constraint((T0331)H33.CB, (T0331)Y125.CB) [> 4.1638 = 6.9397 < 9.0216] w=0.0321 to align # Constraint # added constraint: constraint((T0331)H33.CB, (T0331)H132.CB) [> 4.3572 = 7.2620 < 9.4406] w=0.0321 to align # Constraint # added constraint: constraint((T0331)M45.CB, (T0331)S137.CB) [> 4.3210 = 7.2016 < 9.3621] w=0.0321 to align # Constraint # added constraint: constraint((T0331)F18.CB, (T0331)Q114.CB) [> 4.6865 = 7.8108 < 10.1540] w=0.0315 to align # Constraint # added constraint: constraint((T0331)L73.CB, (T0331)H132.CB) [> 3.9529 = 6.5881 < 8.5645] w=0.0307 to align # Constraint # added constraint: constraint((T0331)A19.CB, (T0331)R61.CB) [> 4.6674 = 7.7791 < 10.1128] w=0.0307 to align # Constraint # added constraint: constraint((T0331)I9.CB, (T0331)H31.CB) [> 4.3568 = 7.2614 < 9.4398] w=0.0304 to align # Constraint # added constraint: constraint((T0331)L10.CB, (T0331)H31.CB) [> 3.3490 = 5.5817 < 7.2562] w=0.0304 to align # Constraint # added constraint: constraint((T0331)M13.CB, (T0331)H31.CB) [> 3.5054 = 5.8424 < 7.5951] w=0.0304 to align # Constraint # added constraint: constraint((T0331)M13.CB, (T0331)A32.CB) [> 3.6892 = 6.1487 < 7.9933] w=0.0304 to align # Constraint # added constraint: constraint((T0331)H31.CB, (T0331)A66.CB) [> 3.8375 = 6.3959 < 8.3147] w=0.0304 to align # Constraint # added constraint: constraint((T0331)Y101.CB, (T0331)Q114.CB) [> 3.9911 = 6.6518 < 8.6473] w=0.0292 to align # Constraint # added constraint: constraint((T0331)M13.CB, (T0331)G71.CA) [> 3.8955 = 6.4926 < 8.4403] w=0.0177 to align # Constraint # added constraint: constraint((T0331)I135.CB, (T0331)E145.CB) [> 2.9878 = 4.9797 < 6.4737] w=0.0176 to align # Constraint # added constraint: constraint((T0331)I135.CB, (T0331)V146.CB) [> 3.2568 = 5.4279 < 7.0563] w=0.0176 to align # Constraint # added constraint: constraint((T0331)H122.CB, (T0331)K133.CB) [> 4.4317 = 7.3861 < 9.6020] w=0.0161 to align # Constraint # added constraint: constraint((T0331)G123.CA, (T0331)K133.CB) [> 3.7855 = 6.3092 < 8.2019] w=0.0161 to align # Constraint # added constraint: constraint((T0331)K133.CB, (T0331)H143.CB) [> 4.0085 = 6.6809 < 8.6851] w=0.0161 to align # Constraint # added constraint: constraint((T0331)Y134.CB, (T0331)H143.CB) [> 1.6748 = 2.7913 < 3.6287] w=0.0161 to align # Constraint # added constraint: constraint((T0331)E40.CB, (T0331)L149.CB) [> 3.1237 = 5.2061 < 6.7679] w=0.0161 to align # Constraint # added constraint: constraint((T0331)T82.CB, (T0331)L149.CB) [> 3.1769 = 5.2948 < 6.8832] w=0.0161 to align # Constraint # added constraint: constraint((T0331)A83.CB, (T0331)L149.CB) [> 4.5906 = 7.6510 < 9.9462] w=0.0161 to align # Constraint # added constraint: constraint((T0331)L3.CB, (T0331)V77.CB) [> 3.6994 = 6.1656 < 8.0153] w=0.0161 to align # Constraint # added constraint: constraint((T0331)Y101.CB, (T0331)Y134.CB) [> 4.7596 = 7.9326 < 10.3124] w=0.0161 to align # Constraint # added constraint: constraint((T0331)H126.CB, (T0331)G141.CA) [> 4.0348 = 6.7247 < 8.7421] w=0.0161 to align # Constraint # added constraint: constraint((T0331)F95.CB, (T0331)S137.CB) [> 4.2138 = 7.0230 < 9.1299] w=0.0161 to align # Constraint # added constraint: constraint((T0331)L10.CB, (T0331)H122.CB) [> 4.6851 = 7.8086 < 10.1511] w=0.0161 to align # Constraint # added constraint: constraint((T0331)M13.CB, (T0331)I135.CB) [> 3.2693 = 5.4489 < 7.0836] w=0.0161 to align # Constraint # added constraint: constraint((T0331)H126.CB, (T0331)I138.CB) [> 3.9019 = 6.5031 < 8.4541] w=0.0161 to align # Constraint # added constraint: constraint((T0331)K14.CB, (T0331)A32.CB) [> 4.0925 = 6.8208 < 8.8671] w=0.0161 to align # Constraint # added constraint: constraint((T0331)M13.CB, (T0331)Q75.CB) [> 3.4657 = 5.7761 < 7.5090] w=0.0160 to align # Constraint # added constraint: constraint((T0331)F44.CB, (T0331)Y125.CB) [> 4.5614 = 7.6023 < 9.8830] w=0.0160 to align # Constraint # added constraint: constraint((T0331)L10.CB, (T0331)A32.CB) [> 4.6736 = 7.7893 < 10.1261] w=0.0157 to align # Constraint # added constraint: constraint((T0331)P27.CB, (T0331)G58.CA) [> 3.0602 = 5.1003 < 6.6303] w=0.0147 to align # Constraint # added constraint: constraint((T0331)R30.CB, (T0331)S47.CB) [> 3.4944 = 5.8240 < 7.5712] w=0.0147 to align # Constraint # added constraint: constraint((T0331)A19.CB, (T0331)A32.CB) [> 4.7530 = 7.9216 < 10.2981] w=0.0147 to align # Constraint # added constraint: constraint((T0331)A19.CB, (T0331)H31.CB) [> 3.0798 = 5.1330 < 6.6729] w=0.0147 to align # Constraint # added constraint: constraint((T0331)F18.CB, (T0331)M45.CB) [> 4.0204 = 6.7007 < 8.7109] w=0.0147 to align # Constraint # added constraint: constraint((T0331)H33.CB, (T0331)T46.CB) [> 4.7428 = 7.9047 < 10.2761] w=0.0147 to align # Constraint # added constraint: constraint((T0331)A19.CB, (T0331)A83.CB) [> 4.0267 = 6.7112 < 8.7246] w=0.0146 to align # Constraint # added constraint: constraint((T0331)L21.CB, (T0331)M57.CB) [> 4.4322 = 7.3869 < 9.6030] w=0.0146 to align # Constraint # added constraint: constraint((T0331)N26.CB, (T0331)Y134.CB) [> 4.6812 = 7.8021 < 10.1427] w=0.0137 to align # Constraint # added constraint: constraint((T0331)N26.CB, (T0331)I135.CB) [> 2.8268 = 4.7113 < 6.1248] w=0.0137 to align # Constraint # added constraint: constraint((T0331)A29.CB, (T0331)L128.CB) [> 2.9637 = 4.9395 < 6.4213] w=0.0137 to align # Constraint # added constraint: constraint((T0331)H31.CB, (T0331)M45.CB) [> 4.3204 = 7.2006 < 9.3608] w=0.0137 to align # Constraint # added constraint: constraint((T0331)H31.CB, (T0331)Y125.CB) [> 3.1447 = 5.2412 < 6.8136] w=0.0137 to align # Constraint # added constraint: constraint((T0331)I135.CB, (T0331)R147.CB) [> 4.6656 = 7.7760 < 10.1088] w=0.0016 to align # SetCost created cost = # ( 1.0000 * align ) # command:# Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0331/ # command:# reading script from file servers-clean.under # Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0331/decoys/ # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS1 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS2 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS3 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS4 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS5.pdb.gz looking for model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS5 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 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 T0331 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 T0331 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 T0331 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 T0331 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 T0331 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 # Found a chain break before 144 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS2 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS3.pdb.gz looking for model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS3 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS4.pdb.gz looking for model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS4 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS5.pdb.gz looking for model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS5 # ReadConformPDB reading from PDB file servers/3Dpro_TS1.pdb.gz looking for model 1 # Found a chain break before 4 # 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 129 # 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 72 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # ReadConformPDB reading from PDB file servers/3Dpro_TS4.pdb.gz looking for model 1 # Found a chain break before 80 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # ReadConformPDB reading from PDB file servers/3Dpro_TS5.pdb.gz looking for model 1 # Found a chain break before 70 # 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 125 # 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 139 # 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 148 # 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 135 # 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 127 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # ReadConformPDB reading from PDB file servers/BayesHH_TS1.pdb.gz looking for model 1 # 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 135 # 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 103 # 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 134 # 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 140 # 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 137 # 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 120 # 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 T0331 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 T0331 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 T0331 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 T0331 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS5 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS1 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS2.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS2 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS3.pdb.gz looking for model 1 WARNING: atoms too close: (T0331)G121.C and (T0331)H122.N only 0.000 apart, marking (T0331)H122.N as missing WARNING: atoms too close: (T0331)H122.N and (T0331)H122.CA only 0.000 apart, marking (T0331)H122.CA as missing WARNING: atoms too close: (T0331)G121.C and (T0331)H122.CA only 0.000 apart, marking (T0331)H122.CA as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)H122.CB only 0.000 apart, marking (T0331)H122.CB as missing WARNING: atoms too close: (T0331)H122.N and (T0331)H122.CB only 0.000 apart, marking (T0331)H122.CB as missing WARNING: atoms too close: (T0331)G121.C and (T0331)H122.CB only 0.000 apart, marking (T0331)H122.CB as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)H122.CG only 0.000 apart, marking (T0331)H122.CG as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)H122.CG only 0.000 apart, marking (T0331)H122.CG as missing WARNING: atoms too close: (T0331)H122.N and (T0331)H122.CG only 0.000 apart, marking (T0331)H122.CG as missing WARNING: atoms too close: (T0331)G121.C and (T0331)H122.CG only 0.000 apart, marking (T0331)H122.CG as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)H122.CD2 only 0.000 apart, marking (T0331)H122.CD2 as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)H122.CD2 only 0.000 apart, marking (T0331)H122.CD2 as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)H122.CD2 only 0.000 apart, marking (T0331)H122.CD2 as missing WARNING: atoms too close: (T0331)H122.N and (T0331)H122.CD2 only 0.000 apart, marking (T0331)H122.CD2 as missing WARNING: atoms too close: (T0331)G121.C and (T0331)H122.CD2 only 0.000 apart, marking (T0331)H122.CD2 as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)H122.ND1 only 0.000 apart, marking (T0331)H122.ND1 as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)H122.ND1 only 0.000 apart, marking (T0331)H122.ND1 as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)H122.ND1 only 0.000 apart, marking (T0331)H122.ND1 as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)H122.ND1 only 0.000 apart, marking (T0331)H122.ND1 as missing WARNING: atoms too close: (T0331)H122.N and (T0331)H122.ND1 only 0.000 apart, marking (T0331)H122.ND1 as missing WARNING: atoms too close: (T0331)G121.C and (T0331)H122.ND1 only 0.000 apart, marking (T0331)H122.ND1 as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)H122.CE1 only 0.000 apart, marking (T0331)H122.CE1 as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)H122.CE1 only 0.000 apart, marking (T0331)H122.CE1 as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)H122.CE1 only 0.000 apart, marking (T0331)H122.CE1 as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)H122.CE1 only 0.000 apart, marking (T0331)H122.CE1 as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)H122.CE1 only 0.000 apart, marking (T0331)H122.CE1 as missing WARNING: atoms too close: (T0331)H122.N and (T0331)H122.CE1 only 0.000 apart, marking (T0331)H122.CE1 as missing WARNING: atoms too close: (T0331)G121.C and (T0331)H122.CE1 only 0.000 apart, marking (T0331)H122.CE1 as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)H122.NE2 only 0.000 apart, marking (T0331)H122.NE2 as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)H122.NE2 only 0.000 apart, marking (T0331)H122.NE2 as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)H122.NE2 only 0.000 apart, marking (T0331)H122.NE2 as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)H122.NE2 only 0.000 apart, marking (T0331)H122.NE2 as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)H122.NE2 only 0.000 apart, marking (T0331)H122.NE2 as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)H122.NE2 only 0.000 apart, marking (T0331)H122.NE2 as missing WARNING: atoms too close: (T0331)H122.N and (T0331)H122.NE2 only 0.000 apart, marking (T0331)H122.NE2 as missing WARNING: atoms too close: (T0331)G121.C and (T0331)H122.NE2 only 0.000 apart, marking (T0331)H122.NE2 as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)H122.O only 0.000 apart, marking (T0331)H122.O as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)H122.O only 0.000 apart, marking (T0331)H122.O as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)H122.O only 0.000 apart, marking (T0331)H122.O as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)H122.O only 0.000 apart, marking (T0331)H122.O as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)H122.O only 0.000 apart, marking (T0331)H122.O as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)H122.O only 0.000 apart, marking (T0331)H122.O as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)H122.O only 0.000 apart, marking (T0331)H122.O as missing WARNING: atoms too close: (T0331)H122.N and (T0331)H122.O only 0.000 apart, marking (T0331)H122.O as missing WARNING: atoms too close: (T0331)G121.C and (T0331)H122.O only 0.000 apart, marking (T0331)H122.O as missing WARNING: atoms too close: (T0331)H122.O and (T0331)H122.C only 0.000 apart, marking (T0331)H122.C as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)H122.C only 0.000 apart, marking (T0331)H122.C as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)H122.C only 0.000 apart, marking (T0331)H122.C as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)H122.C only 0.000 apart, marking (T0331)H122.C as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)H122.C only 0.000 apart, marking (T0331)H122.C as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)H122.C only 0.000 apart, marking (T0331)H122.C as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)H122.C only 0.000 apart, marking (T0331)H122.C as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)H122.C only 0.000 apart, marking (T0331)H122.C as missing WARNING: atoms too close: (T0331)H122.N and (T0331)H122.C only 0.000 apart, marking (T0331)H122.C as missing WARNING: atoms too close: (T0331)G121.C and (T0331)H122.C only 0.000 apart, marking (T0331)H122.C as missing WARNING: atoms too close: (T0331)H122.C and (T0331)G123.N only 0.000 apart, marking (T0331)H122.C as missing WARNING: atoms too close: (T0331)H122.O and (T0331)G123.N only 0.000 apart, marking (T0331)H122.O as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)G123.N only 0.000 apart, marking (T0331)H122.NE2 as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)G123.N only 0.000 apart, marking (T0331)H122.CE1 as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)G123.N only 0.000 apart, marking (T0331)H122.ND1 as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)G123.N only 0.000 apart, marking (T0331)H122.CD2 as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)G123.N only 0.000 apart, marking (T0331)H122.CG as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)G123.N only 0.000 apart, marking (T0331)H122.CB as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)G123.N only 0.000 apart, marking (T0331)H122.CA as missing WARNING: atoms too close: (T0331)H122.N and (T0331)G123.N only 0.000 apart, marking (T0331)H122.N as missing WARNING: atoms too close: (T0331)G121.C and (T0331)G123.N only 0.000 apart, marking (T0331)G123.N as missing WARNING: atoms too close: (T0331)G123.N and (T0331)G123.CA only 0.000 apart, marking (T0331)G123.CA as missing WARNING: atoms too close: (T0331)H122.C and (T0331)G123.CA only 0.000 apart, marking (T0331)G123.CA as missing WARNING: atoms too close: (T0331)H122.O and (T0331)G123.CA only 0.000 apart, marking (T0331)G123.CA as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)G123.CA only 0.000 apart, marking (T0331)G123.CA as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)G123.CA only 0.000 apart, marking (T0331)G123.CA as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)G123.CA only 0.000 apart, marking (T0331)G123.CA as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)G123.CA only 0.000 apart, marking (T0331)G123.CA as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)G123.CA only 0.000 apart, marking (T0331)G123.CA as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)G123.CA only 0.000 apart, marking (T0331)G123.CA as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)G123.CA only 0.000 apart, marking (T0331)G123.CA as missing WARNING: atoms too close: (T0331)H122.N and (T0331)G123.CA only 0.000 apart, marking (T0331)G123.CA as missing WARNING: atoms too close: (T0331)G121.C and (T0331)G123.CA only 0.000 apart, marking (T0331)G123.CA as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)G123.O only 0.000 apart, marking (T0331)G123.O as missing WARNING: atoms too close: (T0331)G123.N and (T0331)G123.O only 0.000 apart, marking (T0331)G123.O as missing WARNING: atoms too close: (T0331)H122.C and (T0331)G123.O only 0.000 apart, marking (T0331)G123.O as missing WARNING: atoms too close: (T0331)H122.O and (T0331)G123.O only 0.000 apart, marking (T0331)G123.O as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)G123.O only 0.000 apart, marking (T0331)G123.O as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)G123.O only 0.000 apart, marking (T0331)G123.O as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)G123.O only 0.000 apart, marking (T0331)G123.O as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)G123.O only 0.000 apart, marking (T0331)G123.O as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)G123.O only 0.000 apart, marking (T0331)G123.O as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)G123.O only 0.000 apart, marking (T0331)G123.O as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)G123.O only 0.000 apart, marking (T0331)G123.O as missing WARNING: atoms too close: (T0331)H122.N and (T0331)G123.O only 0.000 apart, marking (T0331)G123.O as missing WARNING: atoms too close: (T0331)G121.C and (T0331)G123.O only 0.000 apart, marking (T0331)G123.O as missing WARNING: atoms too close: (T0331)G123.O and (T0331)G123.C only 0.000 apart, marking (T0331)G123.C as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)G123.C only 0.000 apart, marking (T0331)G123.C as missing WARNING: atoms too close: (T0331)G123.N and (T0331)G123.C only 0.000 apart, marking (T0331)G123.C as missing WARNING: atoms too close: (T0331)H122.C and (T0331)G123.C only 0.000 apart, marking (T0331)G123.C as missing WARNING: atoms too close: (T0331)H122.O and (T0331)G123.C only 0.000 apart, marking (T0331)G123.C as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)G123.C only 0.000 apart, marking (T0331)G123.C as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)G123.C only 0.000 apart, marking (T0331)G123.C as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)G123.C only 0.000 apart, marking (T0331)G123.C as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)G123.C only 0.000 apart, marking (T0331)G123.C as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)G123.C only 0.000 apart, marking (T0331)G123.C as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)G123.C only 0.000 apart, marking (T0331)G123.C as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)G123.C only 0.000 apart, marking (T0331)G123.C as missing WARNING: atoms too close: (T0331)H122.N and (T0331)G123.C only 0.000 apart, marking (T0331)G123.C as missing WARNING: atoms too close: (T0331)G121.C and (T0331)G123.C only 0.000 apart, marking (T0331)G123.C as missing WARNING: atoms too close: (T0331)G123.C and (T0331)F124.N only 0.000 apart, marking (T0331)G123.C as missing WARNING: atoms too close: (T0331)G123.O and (T0331)F124.N only 0.000 apart, marking (T0331)G123.O as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)F124.N only 0.000 apart, marking (T0331)G123.CA as missing WARNING: atoms too close: (T0331)G123.N and (T0331)F124.N only 0.000 apart, marking (T0331)G123.N as missing WARNING: atoms too close: (T0331)H122.C and (T0331)F124.N only 0.000 apart, marking (T0331)H122.C as missing WARNING: atoms too close: (T0331)H122.O and (T0331)F124.N only 0.000 apart, marking (T0331)H122.O as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)F124.N only 0.000 apart, marking (T0331)H122.NE2 as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)F124.N only 0.000 apart, marking (T0331)H122.CE1 as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)F124.N only 0.000 apart, marking (T0331)H122.ND1 as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)F124.N only 0.000 apart, marking (T0331)H122.CD2 as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)F124.N only 0.000 apart, marking (T0331)H122.CG as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)F124.N only 0.000 apart, marking (T0331)H122.CB as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)F124.N only 0.000 apart, marking (T0331)H122.CA as missing WARNING: atoms too close: (T0331)H122.N and (T0331)F124.N only 0.000 apart, marking (T0331)H122.N as missing WARNING: atoms too close: (T0331)G121.C and (T0331)F124.N only 0.000 apart, marking (T0331)F124.N as missing WARNING: atoms too close: (T0331)F124.N and (T0331)F124.CA only 0.000 apart, marking (T0331)F124.CA as missing WARNING: atoms too close: (T0331)G123.C and (T0331)F124.CA only 0.000 apart, marking (T0331)F124.CA as missing WARNING: atoms too close: (T0331)G123.O and (T0331)F124.CA only 0.000 apart, marking (T0331)F124.CA as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)F124.CA only 0.000 apart, marking (T0331)F124.CA as missing WARNING: atoms too close: (T0331)G123.N and (T0331)F124.CA only 0.000 apart, marking (T0331)F124.CA as missing WARNING: atoms too close: (T0331)H122.C and (T0331)F124.CA only 0.000 apart, marking (T0331)F124.CA as missing WARNING: atoms too close: (T0331)H122.O and (T0331)F124.CA only 0.000 apart, marking (T0331)F124.CA as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)F124.CA only 0.000 apart, marking (T0331)F124.CA as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)F124.CA only 0.000 apart, marking (T0331)F124.CA as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)F124.CA only 0.000 apart, marking (T0331)F124.CA as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)F124.CA only 0.000 apart, marking (T0331)F124.CA as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)F124.CA only 0.000 apart, marking (T0331)F124.CA as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)F124.CA only 0.000 apart, marking (T0331)F124.CA as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)F124.CA only 0.000 apart, marking (T0331)F124.CA as missing WARNING: atoms too close: (T0331)H122.N and (T0331)F124.CA only 0.000 apart, marking (T0331)F124.CA as missing WARNING: atoms too close: (T0331)G121.C and (T0331)F124.CA only 0.000 apart, marking (T0331)F124.CA as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)F124.CB only 0.000 apart, marking (T0331)F124.CB as missing WARNING: atoms too close: (T0331)F124.N and (T0331)F124.CB only 0.000 apart, marking (T0331)F124.CB as missing WARNING: atoms too close: (T0331)G123.C and (T0331)F124.CB only 0.000 apart, marking (T0331)F124.CB as missing WARNING: atoms too close: (T0331)G123.O and (T0331)F124.CB only 0.000 apart, marking (T0331)F124.CB as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)F124.CB only 0.000 apart, marking (T0331)F124.CB as missing WARNING: atoms too close: (T0331)G123.N and (T0331)F124.CB only 0.000 apart, marking (T0331)F124.CB as missing WARNING: atoms too close: (T0331)H122.C and (T0331)F124.CB only 0.000 apart, marking (T0331)F124.CB as missing WARNING: atoms too close: (T0331)H122.O and (T0331)F124.CB only 0.000 apart, marking (T0331)F124.CB as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)F124.CB only 0.000 apart, marking (T0331)F124.CB as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)F124.CB only 0.000 apart, marking (T0331)F124.CB as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)F124.CB only 0.000 apart, marking (T0331)F124.CB as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)F124.CB only 0.000 apart, marking (T0331)F124.CB as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)F124.CB only 0.000 apart, marking (T0331)F124.CB as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)F124.CB only 0.000 apart, marking (T0331)F124.CB as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)F124.CB only 0.000 apart, marking (T0331)F124.CB as missing WARNING: atoms too close: (T0331)H122.N and (T0331)F124.CB only 0.000 apart, marking (T0331)F124.CB as missing WARNING: atoms too close: (T0331)G121.C and (T0331)F124.CB only 0.000 apart, marking (T0331)F124.CB as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)F124.CG only 0.000 apart, marking (T0331)F124.CG as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)F124.CG only 0.000 apart, marking (T0331)F124.CG as missing WARNING: atoms too close: (T0331)F124.N and (T0331)F124.CG only 0.000 apart, marking (T0331)F124.CG as missing WARNING: atoms too close: (T0331)G123.C and (T0331)F124.CG only 0.000 apart, marking (T0331)F124.CG as missing WARNING: atoms too close: (T0331)G123.O and (T0331)F124.CG only 0.000 apart, marking (T0331)F124.CG as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)F124.CG only 0.000 apart, marking (T0331)F124.CG as missing WARNING: atoms too close: (T0331)G123.N and (T0331)F124.CG only 0.000 apart, marking (T0331)F124.CG as missing WARNING: atoms too close: (T0331)H122.C and (T0331)F124.CG only 0.000 apart, marking (T0331)F124.CG as missing WARNING: atoms too close: (T0331)H122.O and (T0331)F124.CG only 0.000 apart, marking (T0331)F124.CG as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)F124.CG only 0.000 apart, marking (T0331)F124.CG as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)F124.CG only 0.000 apart, marking (T0331)F124.CG as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)F124.CG only 0.000 apart, marking (T0331)F124.CG as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)F124.CG only 0.000 apart, marking (T0331)F124.CG as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)F124.CG only 0.000 apart, marking (T0331)F124.CG as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)F124.CG only 0.000 apart, marking (T0331)F124.CG as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)F124.CG only 0.000 apart, marking (T0331)F124.CG as missing WARNING: atoms too close: (T0331)H122.N and (T0331)F124.CG only 0.000 apart, marking (T0331)F124.CG as missing WARNING: atoms too close: (T0331)G121.C and (T0331)F124.CG only 0.000 apart, marking (T0331)F124.CG as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)F124.CD1 only 0.000 apart, marking (T0331)F124.CD1 as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)F124.CD1 only 0.000 apart, marking (T0331)F124.CD1 as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)F124.CD1 only 0.000 apart, marking (T0331)F124.CD1 as missing WARNING: atoms too close: (T0331)F124.N and (T0331)F124.CD1 only 0.000 apart, marking (T0331)F124.CD1 as missing WARNING: atoms too close: (T0331)G123.C and (T0331)F124.CD1 only 0.000 apart, marking (T0331)F124.CD1 as missing WARNING: atoms too close: (T0331)G123.O and (T0331)F124.CD1 only 0.000 apart, marking (T0331)F124.CD1 as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)F124.CD1 only 0.000 apart, marking (T0331)F124.CD1 as missing WARNING: atoms too close: (T0331)G123.N and (T0331)F124.CD1 only 0.000 apart, marking (T0331)F124.CD1 as missing WARNING: atoms too close: (T0331)H122.C and (T0331)F124.CD1 only 0.000 apart, marking (T0331)F124.CD1 as missing WARNING: atoms too close: (T0331)H122.O and (T0331)F124.CD1 only 0.000 apart, marking (T0331)F124.CD1 as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)F124.CD1 only 0.000 apart, marking (T0331)F124.CD1 as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)F124.CD1 only 0.000 apart, marking (T0331)F124.CD1 as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)F124.CD1 only 0.000 apart, marking (T0331)F124.CD1 as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)F124.CD1 only 0.000 apart, marking (T0331)F124.CD1 as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)F124.CD1 only 0.000 apart, marking (T0331)F124.CD1 as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)F124.CD1 only 0.000 apart, marking (T0331)F124.CD1 as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)F124.CD1 only 0.000 apart, marking (T0331)F124.CD1 as missing WARNING: atoms too close: (T0331)H122.N and (T0331)F124.CD1 only 0.000 apart, marking (T0331)F124.CD1 as missing WARNING: atoms too close: (T0331)G121.C and (T0331)F124.CD1 only 0.000 apart, marking (T0331)F124.CD1 as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)F124.CD2 only 0.000 apart, marking (T0331)F124.CD2 as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)F124.CD2 only 0.000 apart, marking (T0331)F124.CD2 as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)F124.CD2 only 0.000 apart, marking (T0331)F124.CD2 as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)F124.CD2 only 0.000 apart, marking (T0331)F124.CD2 as missing WARNING: atoms too close: (T0331)F124.N and (T0331)F124.CD2 only 0.000 apart, marking (T0331)F124.CD2 as missing WARNING: atoms too close: (T0331)G123.C and (T0331)F124.CD2 only 0.000 apart, marking (T0331)F124.CD2 as missing WARNING: atoms too close: (T0331)G123.O and (T0331)F124.CD2 only 0.000 apart, marking (T0331)F124.CD2 as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)F124.CD2 only 0.000 apart, marking (T0331)F124.CD2 as missing WARNING: atoms too close: (T0331)G123.N and (T0331)F124.CD2 only 0.000 apart, marking (T0331)F124.CD2 as missing WARNING: atoms too close: (T0331)H122.C and (T0331)F124.CD2 only 0.000 apart, marking (T0331)F124.CD2 as missing WARNING: atoms too close: (T0331)H122.O and (T0331)F124.CD2 only 0.000 apart, marking (T0331)F124.CD2 as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)F124.CD2 only 0.000 apart, marking (T0331)F124.CD2 as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)F124.CD2 only 0.000 apart, marking (T0331)F124.CD2 as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)F124.CD2 only 0.000 apart, marking (T0331)F124.CD2 as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)F124.CD2 only 0.000 apart, marking (T0331)F124.CD2 as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)F124.CD2 only 0.000 apart, marking (T0331)F124.CD2 as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)F124.CD2 only 0.000 apart, marking (T0331)F124.CD2 as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)F124.CD2 only 0.000 apart, marking (T0331)F124.CD2 as missing WARNING: atoms too close: (T0331)H122.N and (T0331)F124.CD2 only 0.000 apart, marking (T0331)F124.CD2 as missing WARNING: atoms too close: (T0331)G121.C and (T0331)F124.CD2 only 0.000 apart, marking (T0331)F124.CD2 as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)F124.CE1 only 0.000 apart, marking (T0331)F124.CE1 as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)F124.CE1 only 0.000 apart, marking (T0331)F124.CE1 as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)F124.CE1 only 0.000 apart, marking (T0331)F124.CE1 as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)F124.CE1 only 0.000 apart, marking (T0331)F124.CE1 as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)F124.CE1 only 0.000 apart, marking (T0331)F124.CE1 as missing WARNING: atoms too close: (T0331)F124.N and (T0331)F124.CE1 only 0.000 apart, marking (T0331)F124.CE1 as missing WARNING: atoms too close: (T0331)G123.C and (T0331)F124.CE1 only 0.000 apart, marking (T0331)F124.CE1 as missing WARNING: atoms too close: (T0331)G123.O and (T0331)F124.CE1 only 0.000 apart, marking (T0331)F124.CE1 as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)F124.CE1 only 0.000 apart, marking (T0331)F124.CE1 as missing WARNING: atoms too close: (T0331)G123.N and (T0331)F124.CE1 only 0.000 apart, marking (T0331)F124.CE1 as missing WARNING: atoms too close: (T0331)H122.C and (T0331)F124.CE1 only 0.000 apart, marking (T0331)F124.CE1 as missing WARNING: atoms too close: (T0331)H122.O and (T0331)F124.CE1 only 0.000 apart, marking (T0331)F124.CE1 as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)F124.CE1 only 0.000 apart, marking (T0331)F124.CE1 as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)F124.CE1 only 0.000 apart, marking (T0331)F124.CE1 as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)F124.CE1 only 0.000 apart, marking (T0331)F124.CE1 as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)F124.CE1 only 0.000 apart, marking (T0331)F124.CE1 as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)F124.CE1 only 0.000 apart, marking (T0331)F124.CE1 as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)F124.CE1 only 0.000 apart, marking (T0331)F124.CE1 as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)F124.CE1 only 0.000 apart, marking (T0331)F124.CE1 as missing WARNING: atoms too close: (T0331)H122.N and (T0331)F124.CE1 only 0.000 apart, marking (T0331)F124.CE1 as missing WARNING: atoms too close: (T0331)G121.C and (T0331)F124.CE1 only 0.000 apart, marking (T0331)F124.CE1 as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)F124.CE2 only 0.000 apart, marking (T0331)F124.CE2 as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)F124.CE2 only 0.000 apart, marking (T0331)F124.CE2 as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)F124.CE2 only 0.000 apart, marking (T0331)F124.CE2 as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)F124.CE2 only 0.000 apart, marking (T0331)F124.CE2 as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)F124.CE2 only 0.000 apart, marking (T0331)F124.CE2 as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)F124.CE2 only 0.000 apart, marking (T0331)F124.CE2 as missing WARNING: atoms too close: (T0331)F124.N and (T0331)F124.CE2 only 0.000 apart, marking (T0331)F124.CE2 as missing WARNING: atoms too close: (T0331)G123.C and (T0331)F124.CE2 only 0.000 apart, marking (T0331)F124.CE2 as missing WARNING: atoms too close: (T0331)G123.O and (T0331)F124.CE2 only 0.000 apart, marking (T0331)F124.CE2 as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)F124.CE2 only 0.000 apart, marking (T0331)F124.CE2 as missing WARNING: atoms too close: (T0331)G123.N and (T0331)F124.CE2 only 0.000 apart, marking (T0331)F124.CE2 as missing WARNING: atoms too close: (T0331)H122.C and (T0331)F124.CE2 only 0.000 apart, marking (T0331)F124.CE2 as missing WARNING: atoms too close: (T0331)H122.O and (T0331)F124.CE2 only 0.000 apart, marking (T0331)F124.CE2 as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)F124.CE2 only 0.000 apart, marking (T0331)F124.CE2 as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)F124.CE2 only 0.000 apart, marking (T0331)F124.CE2 as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)F124.CE2 only 0.000 apart, marking (T0331)F124.CE2 as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)F124.CE2 only 0.000 apart, marking (T0331)F124.CE2 as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)F124.CE2 only 0.000 apart, marking (T0331)F124.CE2 as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)F124.CE2 only 0.000 apart, marking (T0331)F124.CE2 as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)F124.CE2 only 0.000 apart, marking (T0331)F124.CE2 as missing WARNING: atoms too close: (T0331)H122.N and (T0331)F124.CE2 only 0.000 apart, marking (T0331)F124.CE2 as missing WARNING: atoms too close: (T0331)G121.C and (T0331)F124.CE2 only 0.000 apart, marking (T0331)F124.CE2 as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)F124.CZ only 0.000 apart, marking (T0331)F124.CZ as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)F124.CZ only 0.000 apart, marking (T0331)F124.CZ as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)F124.CZ only 0.000 apart, marking (T0331)F124.CZ as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)F124.CZ only 0.000 apart, marking (T0331)F124.CZ as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)F124.CZ only 0.000 apart, marking (T0331)F124.CZ as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)F124.CZ only 0.000 apart, marking (T0331)F124.CZ as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)F124.CZ only 0.000 apart, marking (T0331)F124.CZ as missing WARNING: atoms too close: (T0331)F124.N and (T0331)F124.CZ only 0.000 apart, marking (T0331)F124.CZ as missing WARNING: atoms too close: (T0331)G123.C and (T0331)F124.CZ only 0.000 apart, marking (T0331)F124.CZ as missing WARNING: atoms too close: (T0331)G123.O and (T0331)F124.CZ only 0.000 apart, marking (T0331)F124.CZ as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)F124.CZ only 0.000 apart, marking (T0331)F124.CZ as missing WARNING: atoms too close: (T0331)G123.N and (T0331)F124.CZ only 0.000 apart, marking (T0331)F124.CZ as missing WARNING: atoms too close: (T0331)H122.C and (T0331)F124.CZ only 0.000 apart, marking (T0331)F124.CZ as missing WARNING: atoms too close: (T0331)H122.O and (T0331)F124.CZ only 0.000 apart, marking (T0331)F124.CZ as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)F124.CZ only 0.000 apart, marking (T0331)F124.CZ as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)F124.CZ only 0.000 apart, marking (T0331)F124.CZ as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)F124.CZ only 0.000 apart, marking (T0331)F124.CZ as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)F124.CZ only 0.000 apart, marking (T0331)F124.CZ as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)F124.CZ only 0.000 apart, marking (T0331)F124.CZ as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)F124.CZ only 0.000 apart, marking (T0331)F124.CZ as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)F124.CZ only 0.000 apart, marking (T0331)F124.CZ as missing WARNING: atoms too close: (T0331)H122.N and (T0331)F124.CZ only 0.000 apart, marking (T0331)F124.CZ as missing WARNING: atoms too close: (T0331)G121.C and (T0331)F124.CZ only 0.000 apart, marking (T0331)F124.CZ as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)F124.O only 0.000 apart, marking (T0331)F124.O as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)F124.O only 0.000 apart, marking (T0331)F124.O as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)F124.O only 0.000 apart, marking (T0331)F124.O as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)F124.O only 0.000 apart, marking (T0331)F124.O as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)F124.O only 0.000 apart, marking (T0331)F124.O as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)F124.O only 0.000 apart, marking (T0331)F124.O as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)F124.O only 0.000 apart, marking (T0331)F124.O as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)F124.O only 0.000 apart, marking (T0331)F124.O as missing WARNING: atoms too close: (T0331)F124.N and (T0331)F124.O only 0.000 apart, marking (T0331)F124.O as missing WARNING: atoms too close: (T0331)G123.C and (T0331)F124.O only 0.000 apart, marking (T0331)F124.O as missing WARNING: atoms too close: (T0331)G123.O and (T0331)F124.O only 0.000 apart, marking (T0331)F124.O as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)F124.O only 0.000 apart, marking (T0331)F124.O as missing WARNING: atoms too close: (T0331)G123.N and (T0331)F124.O only 0.000 apart, marking (T0331)F124.O as missing WARNING: atoms too close: (T0331)H122.C and (T0331)F124.O only 0.000 apart, marking (T0331)F124.O as missing WARNING: atoms too close: (T0331)H122.O and (T0331)F124.O only 0.000 apart, marking (T0331)F124.O as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)F124.O only 0.000 apart, marking (T0331)F124.O as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)F124.O only 0.000 apart, marking (T0331)F124.O as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)F124.O only 0.000 apart, marking (T0331)F124.O as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)F124.O only 0.000 apart, marking (T0331)F124.O as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)F124.O only 0.000 apart, marking (T0331)F124.O as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)F124.O only 0.000 apart, marking (T0331)F124.O as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)F124.O only 0.000 apart, marking (T0331)F124.O as missing WARNING: atoms too close: (T0331)H122.N and (T0331)F124.O only 0.000 apart, marking (T0331)F124.O as missing WARNING: atoms too close: (T0331)G121.C and (T0331)F124.O only 0.000 apart, marking (T0331)F124.O as missing WARNING: atoms too close: (T0331)F124.O and (T0331)F124.C only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)F124.C only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)F124.C only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)F124.C only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)F124.C only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)F124.C only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)F124.C only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)F124.C only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)F124.C only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)F124.N and (T0331)F124.C only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)G123.C and (T0331)F124.C only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)G123.O and (T0331)F124.C only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)F124.C only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)G123.N and (T0331)F124.C only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)H122.C and (T0331)F124.C only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)H122.O and (T0331)F124.C only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)F124.C only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)F124.C only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)F124.C only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)F124.C only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)F124.C only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)F124.C only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)F124.C only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)H122.N and (T0331)F124.C only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)G121.C and (T0331)F124.C only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)F124.C and (T0331)Y125.N only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)F124.O and (T0331)Y125.N only 0.000 apart, marking (T0331)F124.O as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)Y125.N only 0.000 apart, marking (T0331)F124.CZ as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)Y125.N only 0.000 apart, marking (T0331)F124.CE2 as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)Y125.N only 0.000 apart, marking (T0331)F124.CE1 as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)Y125.N only 0.000 apart, marking (T0331)F124.CD2 as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)Y125.N only 0.000 apart, marking (T0331)F124.CD1 as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)Y125.N only 0.000 apart, marking (T0331)F124.CG as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)Y125.N only 0.000 apart, marking (T0331)F124.CB as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)Y125.N only 0.000 apart, marking (T0331)F124.CA as missing WARNING: atoms too close: (T0331)F124.N and (T0331)Y125.N only 0.000 apart, marking (T0331)F124.N as missing WARNING: atoms too close: (T0331)G123.C and (T0331)Y125.N only 0.000 apart, marking (T0331)G123.C as missing WARNING: atoms too close: (T0331)G123.O and (T0331)Y125.N only 0.000 apart, marking (T0331)G123.O as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)Y125.N only 0.000 apart, marking (T0331)G123.CA as missing WARNING: atoms too close: (T0331)G123.N and (T0331)Y125.N only 0.000 apart, marking (T0331)G123.N as missing WARNING: atoms too close: (T0331)H122.C and (T0331)Y125.N only 0.000 apart, marking (T0331)H122.C as missing WARNING: atoms too close: (T0331)H122.O and (T0331)Y125.N only 0.000 apart, marking (T0331)H122.O as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)Y125.N only 0.000 apart, marking (T0331)H122.NE2 as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)Y125.N only 0.000 apart, marking (T0331)H122.CE1 as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)Y125.N only 0.000 apart, marking (T0331)H122.ND1 as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)Y125.N only 0.000 apart, marking (T0331)H122.CD2 as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)Y125.N only 0.000 apart, marking (T0331)H122.CG as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)Y125.N only 0.000 apart, marking (T0331)H122.CB as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)Y125.N only 0.000 apart, marking (T0331)H122.CA as missing WARNING: atoms too close: (T0331)H122.N and (T0331)Y125.N only 0.000 apart, marking (T0331)H122.N as missing WARNING: atoms too close: (T0331)G121.C and (T0331)Y125.N only 0.000 apart, marking (T0331)Y125.N as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)Y125.CA only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)F124.C and (T0331)Y125.CA only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)F124.O and (T0331)Y125.CA only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)Y125.CA only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)Y125.CA only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)Y125.CA only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)Y125.CA only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)Y125.CA only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)Y125.CA only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)Y125.CA only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)Y125.CA only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)F124.N and (T0331)Y125.CA only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)G123.C and (T0331)Y125.CA only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)G123.O and (T0331)Y125.CA only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)Y125.CA only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)G123.N and (T0331)Y125.CA only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)H122.C and (T0331)Y125.CA only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)H122.O and (T0331)Y125.CA only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)Y125.CA only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)Y125.CA only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)Y125.CA only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)Y125.CA only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)Y125.CA only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)Y125.CA only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)Y125.CA only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)H122.N and (T0331)Y125.CA only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)G121.C and (T0331)Y125.CA only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)Y125.CB only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)Y125.CB only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)F124.C and (T0331)Y125.CB only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)F124.O and (T0331)Y125.CB only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)Y125.CB only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)Y125.CB only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)Y125.CB only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)Y125.CB only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)Y125.CB only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)Y125.CB only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)Y125.CB only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)Y125.CB only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)F124.N and (T0331)Y125.CB only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)G123.C and (T0331)Y125.CB only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)G123.O and (T0331)Y125.CB only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)Y125.CB only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)G123.N and (T0331)Y125.CB only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)H122.C and (T0331)Y125.CB only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)H122.O and (T0331)Y125.CB only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)Y125.CB only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)Y125.CB only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)Y125.CB only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)Y125.CB only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)Y125.CB only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)Y125.CB only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)Y125.CB only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)H122.N and (T0331)Y125.CB only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)G121.C and (T0331)Y125.CB only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)Y125.CG only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)Y125.CG only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)Y125.CG only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)F124.C and (T0331)Y125.CG only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)F124.O and (T0331)Y125.CG only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)Y125.CG only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)Y125.CG only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)Y125.CG only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)Y125.CG only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)Y125.CG only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)Y125.CG only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)Y125.CG only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)Y125.CG only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)F124.N and (T0331)Y125.CG only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)G123.C and (T0331)Y125.CG only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)G123.O and (T0331)Y125.CG only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)Y125.CG only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)G123.N and (T0331)Y125.CG only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)H122.C and (T0331)Y125.CG only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)H122.O and (T0331)Y125.CG only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)Y125.CG only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)Y125.CG only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)Y125.CG only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)Y125.CG only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)Y125.CG only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)Y125.CG only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)Y125.CG only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)H122.N and (T0331)Y125.CG only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)G121.C and (T0331)Y125.CG only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)Y125.CD1 only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)Y125.CD1 only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)Y125.CD1 only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)Y125.CD1 only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)F124.C and (T0331)Y125.CD1 only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)F124.O and (T0331)Y125.CD1 only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)Y125.CD1 only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)Y125.CD1 only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)Y125.CD1 only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)Y125.CD1 only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)Y125.CD1 only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)Y125.CD1 only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)Y125.CD1 only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)Y125.CD1 only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)F124.N and (T0331)Y125.CD1 only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)G123.C and (T0331)Y125.CD1 only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)G123.O and (T0331)Y125.CD1 only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)Y125.CD1 only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)G123.N and (T0331)Y125.CD1 only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)H122.C and (T0331)Y125.CD1 only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)H122.O and (T0331)Y125.CD1 only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)Y125.CD1 only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)Y125.CD1 only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)Y125.CD1 only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)Y125.CD1 only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)Y125.CD1 only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)Y125.CD1 only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)Y125.CD1 only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)H122.N and (T0331)Y125.CD1 only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)G121.C and (T0331)Y125.CD1 only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)Y125.CD2 only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)Y125.CD2 only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)Y125.CD2 only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)Y125.CD2 only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)Y125.CD2 only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)F124.C and (T0331)Y125.CD2 only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)F124.O and (T0331)Y125.CD2 only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)Y125.CD2 only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)Y125.CD2 only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)Y125.CD2 only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)Y125.CD2 only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)Y125.CD2 only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)Y125.CD2 only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)Y125.CD2 only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)Y125.CD2 only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)F124.N and (T0331)Y125.CD2 only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)G123.C and (T0331)Y125.CD2 only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)G123.O and (T0331)Y125.CD2 only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)Y125.CD2 only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)G123.N and (T0331)Y125.CD2 only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)H122.C and (T0331)Y125.CD2 only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)H122.O and (T0331)Y125.CD2 only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)Y125.CD2 only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)Y125.CD2 only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)Y125.CD2 only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)Y125.CD2 only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)Y125.CD2 only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)Y125.CD2 only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)Y125.CD2 only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)H122.N and (T0331)Y125.CD2 only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)G121.C and (T0331)Y125.CD2 only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)F124.C and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)F124.O and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)F124.N and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)G123.C and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)G123.O and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)G123.N and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)H122.C and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)H122.O and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)H122.N and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)G121.C and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)F124.C and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)F124.O and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)F124.N and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)G123.C and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)G123.O and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)G123.N and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)H122.C and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)H122.O and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)H122.N and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)G121.C and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)F124.C and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)F124.O and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)F124.N and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)G123.C and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)G123.O and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)G123.N and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)H122.C and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)H122.O and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)H122.N and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)G121.C and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)F124.C and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)F124.O and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)F124.N and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)G123.C and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)G123.O and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)G123.N and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)H122.C and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)H122.O and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)H122.N and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)G121.C and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)F124.C and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)F124.O and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)F124.N and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)G123.C and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)G123.O and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)G123.N and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)H122.C and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)H122.O and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)H122.N and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)G121.C and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)F124.C and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)F124.O and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)F124.N and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)G123.C and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)G123.O and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)G123.N and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)H122.C and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)H122.O and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)H122.N and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)G121.C and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)H126.N only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)H126.N only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)H126.N only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)H126.N only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)H126.N only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)H126.N only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)H126.N only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)H126.N only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)H126.N only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)H126.N only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)H126.N only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)H126.N only 0.000 apart, marking (T0331)Y125.N as missing WARNING: atoms too close: (T0331)F124.C and (T0331)H126.N only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)F124.O and (T0331)H126.N only 0.000 apart, marking (T0331)F124.O as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)H126.N only 0.000 apart, marking (T0331)F124.CZ as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)H126.N only 0.000 apart, marking (T0331)F124.CE2 as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)H126.N only 0.000 apart, marking (T0331)F124.CE1 as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)H126.N only 0.000 apart, marking (T0331)F124.CD2 as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)H126.N only 0.000 apart, marking (T0331)F124.CD1 as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)H126.N only 0.000 apart, marking (T0331)F124.CG as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)H126.N only 0.000 apart, marking (T0331)F124.CB as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)H126.N only 0.000 apart, marking (T0331)F124.CA as missing WARNING: atoms too close: (T0331)F124.N and (T0331)H126.N only 0.000 apart, marking (T0331)F124.N as missing WARNING: atoms too close: (T0331)G123.C and (T0331)H126.N only 0.000 apart, marking (T0331)G123.C as missing WARNING: atoms too close: (T0331)G123.O and (T0331)H126.N only 0.000 apart, marking (T0331)G123.O as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)H126.N only 0.000 apart, marking (T0331)G123.CA as missing WARNING: atoms too close: (T0331)G123.N and (T0331)H126.N only 0.000 apart, marking (T0331)G123.N as missing WARNING: atoms too close: (T0331)H122.C and (T0331)H126.N only 0.000 apart, marking (T0331)H122.C as missing WARNING: atoms too close: (T0331)H122.O and (T0331)H126.N only 0.000 apart, marking (T0331)H122.O as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)H126.N only 0.000 apart, marking (T0331)H122.NE2 as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)H126.N only 0.000 apart, marking (T0331)H122.CE1 as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)H126.N only 0.000 apart, marking (T0331)H122.ND1 as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)H126.N only 0.000 apart, marking (T0331)H122.CD2 as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)H126.N only 0.000 apart, marking (T0331)H122.CG as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)H126.N only 0.000 apart, marking (T0331)H122.CB as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)H126.N only 0.000 apart, marking (T0331)H122.CA as missing WARNING: atoms too close: (T0331)H122.N and (T0331)H126.N only 0.000 apart, marking (T0331)H122.N as missing WARNING: atoms too close: (T0331)G121.C and (T0331)H126.N only 0.000 apart, marking (T0331)H126.N as missing WARNING: atoms too close: (T0331)H126.N and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)F124.C and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)F124.O and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)F124.N and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)G123.C and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)G123.O and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)G123.N and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)H122.C and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)H122.O and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)H122.N and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)G121.C and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)H126.N and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)F124.C and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)F124.O and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)F124.N and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)G123.C and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)G123.O and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)G123.N and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)H122.C and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)H122.O and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)H122.N and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)G121.C and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)H126.N and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)F124.C and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)F124.O and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)F124.N and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)G123.C and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)G123.O and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)G123.N and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)H122.C and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)H122.O and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)H122.N and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)G121.C and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)H126.N and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)F124.C and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)F124.O and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)F124.N and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)G123.C and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)G123.O and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)G123.N and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)H122.C and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)H122.O and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)H122.N and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)G121.C and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)H126.N and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)F124.C and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)F124.O and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)F124.N and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)G123.C and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)G123.O and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)G123.N and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)H122.C and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)H122.O and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)H122.N and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)G121.C and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)H126.N and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)F124.C and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)F124.O and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)F124.N and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)G123.C and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)G123.O and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)G123.N and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)H122.C and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)H122.O and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)H122.N and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)G121.C and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)H126.N and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)F124.C and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)F124.O and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)F124.N and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)G123.C and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)G123.O and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)G123.N and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)H122.C and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)H122.O and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)H122.N and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)G121.C and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)H126.N and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)F124.C and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)F124.O and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)F124.N and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)G123.C and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)G123.O and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)G123.N and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)H122.C and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)H122.O and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)H122.N and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)G121.C and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)H126.O and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)H126.N and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)F124.C and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)F124.O and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)F124.N and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)G123.C and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)G123.O and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)G123.N and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)H122.C and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)H122.O and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)H122.N and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)G121.C and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)H126.C and (T0331)S127.N only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)H126.O and (T0331)S127.N only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)S127.N only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)S127.N only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)S127.N only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)S127.N only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)S127.N only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)S127.N only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)S127.N only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)H126.N and (T0331)S127.N only 0.000 apart, marking (T0331)H126.N as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)S127.N only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)S127.N only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)S127.N only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)S127.N only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)S127.N only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)S127.N only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)S127.N only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)S127.N only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)S127.N only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)S127.N only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)S127.N only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)S127.N only 0.000 apart, marking (T0331)Y125.N as missing WARNING: atoms too close: (T0331)F124.C and (T0331)S127.N only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)F124.O and (T0331)S127.N only 0.000 apart, marking (T0331)F124.O as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)S127.N only 0.000 apart, marking (T0331)F124.CZ as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)S127.N only 0.000 apart, marking (T0331)F124.CE2 as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)S127.N only 0.000 apart, marking (T0331)F124.CE1 as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)S127.N only 0.000 apart, marking (T0331)F124.CD2 as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)S127.N only 0.000 apart, marking (T0331)F124.CD1 as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)S127.N only 0.000 apart, marking (T0331)F124.CG as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)S127.N only 0.000 apart, marking (T0331)F124.CB as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)S127.N only 0.000 apart, marking (T0331)F124.CA as missing WARNING: atoms too close: (T0331)F124.N and (T0331)S127.N only 0.000 apart, marking (T0331)F124.N as missing WARNING: atoms too close: (T0331)G123.C and (T0331)S127.N only 0.000 apart, marking (T0331)G123.C as missing WARNING: atoms too close: (T0331)G123.O and (T0331)S127.N only 0.000 apart, marking (T0331)G123.O as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)S127.N only 0.000 apart, marking (T0331)G123.CA as missing WARNING: atoms too close: (T0331)G123.N and (T0331)S127.N only 0.000 apart, marking (T0331)G123.N as missing WARNING: atoms too close: (T0331)H122.C and (T0331)S127.N only 0.000 apart, marking (T0331)H122.C as missing WARNING: atoms too close: (T0331)H122.O and (T0331)S127.N only 0.000 apart, marking (T0331)H122.O as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)S127.N only 0.000 apart, marking (T0331)H122.NE2 as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)S127.N only 0.000 apart, marking (T0331)H122.CE1 as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)S127.N only 0.000 apart, marking (T0331)H122.ND1 as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)S127.N only 0.000 apart, marking (T0331)H122.CD2 as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)S127.N only 0.000 apart, marking (T0331)H122.CG as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)S127.N only 0.000 apart, marking (T0331)H122.CB as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)S127.N only 0.000 apart, marking (T0331)H122.CA as missing WARNING: atoms too close: (T0331)H122.N and (T0331)S127.N only 0.000 apart, marking (T0331)H122.N as missing WARNING: atoms too close: (T0331)G121.C and (T0331)S127.N only 0.000 apart, marking (T0331)S127.N as missing WARNING: atoms too close: (T0331)S127.N and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)H126.C and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)H126.O and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)H126.N and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)F124.C and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)F124.O and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)F124.N and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)G123.C and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)G123.O and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)G123.N and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)H122.C and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)H122.O and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)H122.N and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)G121.C and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)S127.N and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)H126.C and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)H126.O and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)H126.N and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)F124.C and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)F124.O and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)F124.N and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)G123.C and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)G123.O and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)G123.N and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)H122.C and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)H122.O and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)H122.N and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)G121.C and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)S127.CB and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)S127.N and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)H126.C and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)H126.O and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)H126.N and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)F124.C and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)F124.O and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)F124.N and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)G123.C and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)G123.O and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)G123.N and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)H122.C and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)H122.O and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)H122.N and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)G121.C and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)S127.OG and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)S127.CB and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)S127.N and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)H126.C and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)H126.O and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)H126.N and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)F124.C and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)F124.O and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)F124.N and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)G123.C and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)G123.O and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)G123.N and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)H122.C and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)H122.O and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)H122.N and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)G121.C and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)S127.O and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)S127.OG and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)S127.CB and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)S127.N and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)H126.C and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)H126.O and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)H126.N and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)F124.C and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)F124.O and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)F124.N and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)G123.C and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)G123.O and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)G123.N and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)H122.C and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)H122.O and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)H122.N and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)G121.C and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)S127.C and (T0331)L128.N only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)S127.O and (T0331)L128.N only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)S127.OG and (T0331)L128.N only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)S127.CB and (T0331)L128.N only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)L128.N only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)S127.N and (T0331)L128.N only 0.000 apart, marking (T0331)S127.N as missing WARNING: atoms too close: (T0331)H126.C and (T0331)L128.N only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)H126.O and (T0331)L128.N only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)L128.N only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)L128.N only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)L128.N only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)L128.N only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)L128.N only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)L128.N only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)L128.N only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)H126.N and (T0331)L128.N only 0.000 apart, marking (T0331)H126.N as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)L128.N only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)L128.N only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)L128.N only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)L128.N only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)L128.N only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)L128.N only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)L128.N only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)L128.N only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)L128.N only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)L128.N only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)L128.N only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)L128.N only 0.000 apart, marking (T0331)Y125.N as missing WARNING: atoms too close: (T0331)F124.C and (T0331)L128.N only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)F124.O and (T0331)L128.N only 0.000 apart, marking (T0331)F124.O as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)L128.N only 0.000 apart, marking (T0331)F124.CZ as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)L128.N only 0.000 apart, marking (T0331)F124.CE2 as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)L128.N only 0.000 apart, marking (T0331)F124.CE1 as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)L128.N only 0.000 apart, marking (T0331)F124.CD2 as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)L128.N only 0.000 apart, marking (T0331)F124.CD1 as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)L128.N only 0.000 apart, marking (T0331)F124.CG as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)L128.N only 0.000 apart, marking (T0331)F124.CB as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)L128.N only 0.000 apart, marking (T0331)F124.CA as missing WARNING: atoms too close: (T0331)F124.N and (T0331)L128.N only 0.000 apart, marking (T0331)F124.N as missing WARNING: atoms too close: (T0331)G123.C and (T0331)L128.N only 0.000 apart, marking (T0331)G123.C as missing WARNING: atoms too close: (T0331)G123.O and (T0331)L128.N only 0.000 apart, marking (T0331)G123.O as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)L128.N only 0.000 apart, marking (T0331)G123.CA as missing WARNING: atoms too close: (T0331)G123.N and (T0331)L128.N only 0.000 apart, marking (T0331)G123.N as missing WARNING: atoms too close: (T0331)H122.C and (T0331)L128.N only 0.000 apart, marking (T0331)H122.C as missing WARNING: atoms too close: (T0331)H122.O and (T0331)L128.N only 0.000 apart, marking (T0331)H122.O as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)L128.N only 0.000 apart, marking (T0331)H122.NE2 as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)L128.N only 0.000 apart, marking (T0331)H122.CE1 as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)L128.N only 0.000 apart, marking (T0331)H122.ND1 as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)L128.N only 0.000 apart, marking (T0331)H122.CD2 as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)L128.N only 0.000 apart, marking (T0331)H122.CG as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)L128.N only 0.000 apart, marking (T0331)H122.CB as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)L128.N only 0.000 apart, marking (T0331)H122.CA as missing WARNING: atoms too close: (T0331)H122.N and (T0331)L128.N only 0.000 apart, marking (T0331)H122.N as missing WARNING: atoms too close: (T0331)G121.C and (T0331)L128.N only 0.000 apart, marking (T0331)L128.N as missing WARNING: atoms too close: (T0331)L128.N and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)S127.C and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)S127.O and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)S127.OG and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)S127.CB and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)S127.N and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)H126.C and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)H126.O and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)H126.N and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)F124.C and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)F124.O and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)F124.N and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)G123.C and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)G123.O and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)G123.N and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)H122.C and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)H122.O and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)H122.N and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)G121.C and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)L128.CA and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)L128.N and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)S127.C and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)S127.O and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)S127.OG and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)S127.CB and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)S127.N and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)H126.C and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)H126.O and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)H126.N and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)F124.C and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)F124.O and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)F124.N and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)G123.C and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)G123.O and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)G123.N and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)H122.C and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)H122.O and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)H122.N and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)G121.C and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)L128.CB and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)L128.CA and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)L128.N and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)S127.C and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)S127.O and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)S127.OG and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)S127.CB and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)S127.N and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)H126.C and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)H126.O and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)H126.N and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)F124.C and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)F124.O and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)F124.N and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)G123.C and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)G123.O and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)G123.N and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)H122.C and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)H122.O and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)H122.N and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)G121.C and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)L128.CG and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)L128.CB and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)L128.CA and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)L128.N and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)S127.C and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)S127.O and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)S127.OG and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)S127.CB and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)S127.N and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)H126.C and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)H126.O and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)H126.N and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)F124.C and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)F124.O and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)F124.N and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)G123.C and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)G123.O and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)G123.N and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)H122.C and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)H122.O and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)H122.N and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)G121.C and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)L128.CD1 and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)L128.CG and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)L128.CB and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)L128.CA and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)L128.N and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)S127.C and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)S127.O and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)S127.OG and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)S127.CB and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)S127.N and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)H126.C and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)H126.O and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)H126.N and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)F124.C and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)F124.O and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)F124.N and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)G123.C and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)G123.O and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)G123.N and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)H122.C and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)H122.O and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)H122.N and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)G121.C and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)L128.CD2 and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)L128.CD1 and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)L128.CG and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)L128.CB and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)L128.CA and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)L128.N and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)S127.C and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)S127.O and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)S127.OG and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)S127.CB and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)S127.N and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)H126.C and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)H126.O and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)H126.N and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)F124.C and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)F124.O and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)F124.N and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)G123.C and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)G123.O and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)G123.N and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)H122.C and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)H122.O and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)H122.N and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)G121.C and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)L128.O and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)L128.CD2 and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)L128.CD1 and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)L128.CG and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)L128.CB and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)L128.CA and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)L128.N and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)S127.C and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)S127.O and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)S127.OG and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)S127.CB and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)S127.N and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)H126.C and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)H126.O and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)H126.N and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)F124.C and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)F124.O and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)F124.N and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)G123.C and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)G123.O and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)G123.N and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)H122.C and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)H122.O and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)H122.N and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)G121.C and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)L128.C and (T0331)T129.N only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)L128.O and (T0331)T129.N only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)L128.CD2 and (T0331)T129.N only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)L128.CD1 and (T0331)T129.N only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)L128.CG and (T0331)T129.N only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)L128.CB and (T0331)T129.N only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)L128.CA and (T0331)T129.N only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)L128.N and (T0331)T129.N only 0.000 apart, marking (T0331)L128.N as missing WARNING: atoms too close: (T0331)S127.C and (T0331)T129.N only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)S127.O and (T0331)T129.N only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)S127.OG and (T0331)T129.N only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)S127.CB and (T0331)T129.N only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)T129.N only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)S127.N and (T0331)T129.N only 0.000 apart, marking (T0331)S127.N as missing WARNING: atoms too close: (T0331)H126.C and (T0331)T129.N only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)H126.O and (T0331)T129.N only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)T129.N only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)T129.N only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)T129.N only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)T129.N only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)T129.N only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)T129.N only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)T129.N only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)H126.N and (T0331)T129.N only 0.000 apart, marking (T0331)H126.N as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)T129.N only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)T129.N only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)T129.N only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)T129.N only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)T129.N only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)T129.N only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)T129.N only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)T129.N only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)T129.N only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)T129.N only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)T129.N only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)T129.N only 0.000 apart, marking (T0331)Y125.N as missing WARNING: atoms too close: (T0331)F124.C and (T0331)T129.N only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)F124.O and (T0331)T129.N only 0.000 apart, marking (T0331)F124.O as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)T129.N only 0.000 apart, marking (T0331)F124.CZ as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)T129.N only 0.000 apart, marking (T0331)F124.CE2 as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)T129.N only 0.000 apart, marking (T0331)F124.CE1 as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)T129.N only 0.000 apart, marking (T0331)F124.CD2 as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)T129.N only 0.000 apart, marking (T0331)F124.CD1 as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)T129.N only 0.000 apart, marking (T0331)F124.CG as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)T129.N only 0.000 apart, marking (T0331)F124.CB as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)T129.N only 0.000 apart, marking (T0331)F124.CA as missing WARNING: atoms too close: (T0331)F124.N and (T0331)T129.N only 0.000 apart, marking (T0331)F124.N as missing WARNING: atoms too close: (T0331)G123.C and (T0331)T129.N only 0.000 apart, marking (T0331)G123.C as missing WARNING: atoms too close: (T0331)G123.O and (T0331)T129.N only 0.000 apart, marking (T0331)G123.O as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)T129.N only 0.000 apart, marking (T0331)G123.CA as missing WARNING: atoms too close: (T0331)G123.N and (T0331)T129.N only 0.000 apart, marking (T0331)G123.N as missing WARNING: atoms too close: (T0331)H122.C and (T0331)T129.N only 0.000 apart, marking (T0331)H122.C as missing WARNING: atoms too close: (T0331)H122.O and (T0331)T129.N only 0.000 apart, marking (T0331)H122.O as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)T129.N only 0.000 apart, marking (T0331)H122.NE2 as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)T129.N only 0.000 apart, marking (T0331)H122.CE1 as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)T129.N only 0.000 apart, marking (T0331)H122.ND1 as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)T129.N only 0.000 apart, marking (T0331)H122.CD2 as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)T129.N only 0.000 apart, marking (T0331)H122.CG as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)T129.N only 0.000 apart, marking (T0331)H122.CB as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)T129.N only 0.000 apart, marking (T0331)H122.CA as missing WARNING: atoms too close: (T0331)H122.N and (T0331)T129.N only 0.000 apart, marking (T0331)H122.N as missing WARNING: atoms too close: (T0331)G121.C and (T0331)T129.N only 0.000 apart, marking (T0331)T129.N as missing WARNING: atoms too close: (T0331)T129.N and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)L128.C and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)L128.O and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)L128.CD2 and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)L128.CD1 and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)L128.CG and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)L128.CB and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)L128.CA and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)L128.N and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)S127.C and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)S127.O and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)S127.OG and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)S127.CB and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)S127.N and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)H126.C and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)H126.O and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)H126.N and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)F124.C and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)F124.O and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)F124.N and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)G123.C and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)G123.O and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)G123.N and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)H122.C and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)H122.O and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)H122.N and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)G121.C and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)T129.CA and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)T129.N and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)L128.C and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)L128.O and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)L128.CD2 and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)L128.CD1 and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)L128.CG and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)L128.CB and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)L128.CA and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)L128.N and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)S127.C and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)S127.O and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)S127.OG and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)S127.CB and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)S127.N and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)H126.C and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)H126.O and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)H126.N and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)F124.C and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)F124.O and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)F124.N and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)G123.C and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)G123.O and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)G123.N and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)H122.C and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)H122.O and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)H122.N and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)G121.C and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)T129.CB and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)T129.CA and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)T129.N and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)L128.C and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)L128.O and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)L128.CD2 and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)L128.CD1 and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)L128.CG and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)L128.CB and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)L128.CA and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)L128.N and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)S127.C and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)S127.O and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)S127.OG and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)S127.CB and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)S127.N and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)H126.C and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)H126.O and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)H126.N and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)F124.C and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)F124.O and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)F124.N and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)G123.C and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)G123.O and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)G123.N and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)H122.C and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)H122.O and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)H122.N and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)G121.C and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)T129.CG2 and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)T129.CB and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)T129.CA and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)T129.N and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)L128.C and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)L128.O and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)L128.CD2 and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)L128.CD1 and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)L128.CG and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)L128.CB and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)L128.CA and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)L128.N and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)S127.C and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)S127.O and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)S127.OG and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)S127.CB and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)S127.N and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)H126.C and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)H126.O and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)H126.N and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)F124.C and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)F124.O and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)F124.N and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)G123.C and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)G123.O and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)G123.N and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)H122.C and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)H122.O and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)H122.N and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)G121.C and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)T129.OG1 and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)T129.CG2 and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)T129.CB and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)T129.CA and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)T129.N and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)L128.C and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)L128.O and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)L128.CD2 and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)L128.CD1 and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)L128.CG and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)L128.CB and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)L128.CA and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)L128.N and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)S127.C and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)S127.O and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)S127.OG and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)S127.CB and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)S127.N and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)H126.C and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)H126.O and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)H126.N and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)F124.C and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)F124.O and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)F124.N and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)G123.C and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)G123.O and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)G123.N and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)H122.C and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)H122.O and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)H122.N and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)G121.C and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)T129.O and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)T129.OG1 and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)T129.CG2 and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)T129.CB and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)T129.CA and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)T129.N and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)L128.C and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)L128.O and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)L128.CD2 and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)L128.CD1 and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)L128.CG and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)L128.CB and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)L128.CA and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)L128.N and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)S127.C and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)S127.O and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)S127.OG and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)S127.CB and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)S127.N and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)H126.C and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)H126.O and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)H126.N and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)F124.C and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)F124.O and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)F124.N and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)G123.C and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)G123.O and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)G123.N and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)H122.C and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)H122.O and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)H122.N and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)G121.C and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)T129.C and (T0331)Q130.N only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)T129.O and (T0331)Q130.N only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)T129.OG1 and (T0331)Q130.N only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)T129.CG2 and (T0331)Q130.N only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)T129.CB and (T0331)Q130.N only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)T129.CA and (T0331)Q130.N only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)T129.N and (T0331)Q130.N only 0.000 apart, marking (T0331)T129.N as missing WARNING: atoms too close: (T0331)L128.C and (T0331)Q130.N only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)L128.O and (T0331)Q130.N only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)L128.CD2 and (T0331)Q130.N only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)L128.CD1 and (T0331)Q130.N only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)L128.CG and (T0331)Q130.N only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)L128.CB and (T0331)Q130.N only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)L128.CA and (T0331)Q130.N only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)L128.N and (T0331)Q130.N only 0.000 apart, marking (T0331)L128.N as missing WARNING: atoms too close: (T0331)S127.C and (T0331)Q130.N only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)S127.O and (T0331)Q130.N only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)S127.OG and (T0331)Q130.N only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)S127.CB and (T0331)Q130.N only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)Q130.N only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)S127.N and (T0331)Q130.N only 0.000 apart, marking (T0331)S127.N as missing WARNING: atoms too close: (T0331)H126.C and (T0331)Q130.N only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)H126.O and (T0331)Q130.N only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)Q130.N only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)Q130.N only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)Q130.N only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)Q130.N only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)Q130.N only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)Q130.N only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)Q130.N only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)H126.N and (T0331)Q130.N only 0.000 apart, marking (T0331)H126.N as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)Q130.N only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)Q130.N only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)Q130.N only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)Q130.N only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)Q130.N only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)Q130.N only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)Q130.N only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)Q130.N only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)Q130.N only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)Q130.N only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)Q130.N only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)Q130.N only 0.000 apart, marking (T0331)Y125.N as missing WARNING: atoms too close: (T0331)F124.C and (T0331)Q130.N only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)F124.O and (T0331)Q130.N only 0.000 apart, marking (T0331)F124.O as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)Q130.N only 0.000 apart, marking (T0331)F124.CZ as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)Q130.N only 0.000 apart, marking (T0331)F124.CE2 as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)Q130.N only 0.000 apart, marking (T0331)F124.CE1 as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)Q130.N only 0.000 apart, marking (T0331)F124.CD2 as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)Q130.N only 0.000 apart, marking (T0331)F124.CD1 as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)Q130.N only 0.000 apart, marking (T0331)F124.CG as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)Q130.N only 0.000 apart, marking (T0331)F124.CB as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)Q130.N only 0.000 apart, marking (T0331)F124.CA as missing WARNING: atoms too close: (T0331)F124.N and (T0331)Q130.N only 0.000 apart, marking (T0331)F124.N as missing WARNING: atoms too close: (T0331)G123.C and (T0331)Q130.N only 0.000 apart, marking (T0331)G123.C as missing WARNING: atoms too close: (T0331)G123.O and (T0331)Q130.N only 0.000 apart, marking (T0331)G123.O as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)Q130.N only 0.000 apart, marking (T0331)G123.CA as missing WARNING: atoms too close: (T0331)G123.N and (T0331)Q130.N only 0.000 apart, marking (T0331)G123.N as missing WARNING: atoms too close: (T0331)H122.C and (T0331)Q130.N only 0.000 apart, marking (T0331)H122.C as missing WARNING: atoms too close: (T0331)H122.O and (T0331)Q130.N only 0.000 apart, marking (T0331)H122.O as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)Q130.N only 0.000 apart, marking (T0331)H122.NE2 as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)Q130.N only 0.000 apart, marking (T0331)H122.CE1 as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)Q130.N only 0.000 apart, marking (T0331)H122.ND1 as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)Q130.N only 0.000 apart, marking (T0331)H122.CD2 as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)Q130.N only 0.000 apart, marking (T0331)H122.CG as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)Q130.N only 0.000 apart, marking (T0331)H122.CB as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)Q130.N only 0.000 apart, marking (T0331)H122.CA as missing WARNING: atoms too close: (T0331)H122.N and (T0331)Q130.N only 0.000 apart, marking (T0331)H122.N as missing WARNING: atoms too close: (T0331)G121.C and (T0331)Q130.N only 0.000 apart, marking (T0331)Q130.N as missing WARNING: atoms too close: (T0331)Q130.N and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)T129.C and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)T129.O and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)T129.OG1 and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)T129.CG2 and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)T129.CB and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)T129.CA and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)T129.N and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)L128.C and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)L128.O and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)L128.CD2 and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)L128.CD1 and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)L128.CG and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)L128.CB and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)L128.CA and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)L128.N and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)S127.C and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)S127.O and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)S127.OG and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)S127.CB and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)S127.N and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)H126.C and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)H126.O and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)H126.N and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)F124.C and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)F124.O and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)F124.N and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)G123.C and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)G123.O and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)G123.N and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)H122.C and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)H122.O and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)H122.N and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)G121.C and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)Q130.CA and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)Q130.N and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)T129.C and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)T129.O and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)T129.OG1 and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)T129.CG2 and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)T129.CB and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)T129.CA and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)T129.N and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)L128.C and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)L128.O and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)L128.CD2 and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)L128.CD1 and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)L128.CG and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)L128.CB and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)L128.CA and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)L128.N and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)S127.C and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)S127.O and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)S127.OG and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)S127.CB and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)S127.N and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)H126.C and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)H126.O and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)H126.N and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)F124.C and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)F124.O and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)F124.N and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)G123.C and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)G123.O and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)G123.N and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)H122.C and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)H122.O and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)H122.N and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)G121.C and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)Q130.CB and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)Q130.CA and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)Q130.N and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)T129.C and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)T129.O and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)T129.OG1 and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)T129.CG2 and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)T129.CB and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)T129.CA and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)T129.N and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)L128.C and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)L128.O and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)L128.CD2 and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)L128.CD1 and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)L128.CG and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)L128.CB and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)L128.CA and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)L128.N and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)S127.C and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)S127.O and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)S127.OG and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)S127.CB and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)S127.N and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)H126.C and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)H126.O and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)H126.N and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)F124.C and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)F124.O and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)F124.N and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)G123.C and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)G123.O and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)G123.N and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)H122.C and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)H122.O and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)H122.N and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)G121.C and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)Q130.CG and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)Q130.CB and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)Q130.CA and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)Q130.N and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)T129.C and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)T129.O and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)T129.OG1 and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)T129.CG2 and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)T129.CB and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)T129.CA and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)T129.N and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)L128.C and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)L128.O and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)L128.CD2 and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)L128.CD1 and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)L128.CG and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)L128.CB and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)L128.CA and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)L128.N and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)S127.C and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)S127.O and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)S127.OG and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)S127.CB and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)S127.N and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)H126.C and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)H126.O and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)H126.N and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)F124.C and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)F124.O and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)F124.N and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)G123.C and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)G123.O and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)G123.N and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)H122.C and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)H122.O and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)H122.N and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)G121.C and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)Q130.CD and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)Q130.CG and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)Q130.CB and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)Q130.CA and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)Q130.N and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)T129.C and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)T129.O and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)T129.OG1 and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)T129.CG2 and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)T129.CB and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)T129.CA and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)T129.N and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)L128.C and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)L128.O and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)L128.CD2 and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)L128.CD1 and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)L128.CG and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)L128.CB and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)L128.CA and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)L128.N and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)S127.C and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)S127.O and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)S127.OG and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)S127.CB and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)S127.N and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)H126.C and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)H126.O and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)H126.N and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)F124.C and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)F124.O and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)F124.N and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)G123.C and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)G123.O and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)G123.N and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)H122.C and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)H122.O and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)H122.N and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)G121.C and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)Q130.OE1 and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)Q130.CD and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)Q130.CG and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)Q130.CB and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)Q130.CA and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)Q130.N and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)T129.C and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)T129.O and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)T129.OG1 and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)T129.CG2 and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)T129.CB and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)T129.CA and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)T129.N and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)L128.C and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)L128.O and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)L128.CD2 and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)L128.CD1 and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)L128.CG and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)L128.CB and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)L128.CA and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)L128.N and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)S127.C and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)S127.O and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)S127.OG and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)S127.CB and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)S127.N and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)H126.C and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)H126.O and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)H126.N and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)F124.C and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)F124.O and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)F124.N and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)G123.C and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)G123.O and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)G123.N and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)H122.C and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)H122.O and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)H122.N and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)G121.C and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)Q130.NE2 and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)Q130.OE1 and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)Q130.CD and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)Q130.CG and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)Q130.CB and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)Q130.CA and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)Q130.N and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)T129.C and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)T129.O and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)T129.OG1 and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)T129.CG2 and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)T129.CB and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)T129.CA and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)T129.N and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)L128.C and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)L128.O and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)L128.CD2 and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)L128.CD1 and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)L128.CG and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)L128.CB and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)L128.CA and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)L128.N and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)S127.C and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)S127.O and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)S127.OG and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)S127.CB and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)S127.N and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)H126.C and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)H126.O and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)H126.N and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)F124.C and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)F124.O and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)F124.N and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)G123.C and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)G123.O and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)G123.N and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)H122.C and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)H122.O and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)H122.N and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)G121.C and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)Q130.O and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)Q130.NE2 and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)Q130.OE1 and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)Q130.CD and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)Q130.CG and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)Q130.CB and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)Q130.CA and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)Q130.N and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)T129.C and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)T129.O and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)T129.OG1 and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)T129.CG2 and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)T129.CB and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)T129.CA and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)T129.N and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)L128.C and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)L128.O and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)L128.CD2 and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)L128.CD1 and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)L128.CG and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)L128.CB and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)L128.CA and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)L128.N and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)S127.C and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)S127.O and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)S127.OG and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)S127.CB and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)S127.N and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)H126.C and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)H126.O and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)H126.N and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)F124.C and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)F124.O and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)F124.N and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)G123.C and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)G123.O and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)G123.N and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)H122.C and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)H122.O and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)H122.N and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)G121.C and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)Q130.C and (T0331)G131.N only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)Q130.O and (T0331)G131.N only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)Q130.NE2 and (T0331)G131.N only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)Q130.OE1 and (T0331)G131.N only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)Q130.CD and (T0331)G131.N only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)Q130.CG and (T0331)G131.N only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)Q130.CB and (T0331)G131.N only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)Q130.CA and (T0331)G131.N only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)Q130.N and (T0331)G131.N only 0.000 apart, marking (T0331)Q130.N as missing WARNING: atoms too close: (T0331)T129.C and (T0331)G131.N only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)T129.O and (T0331)G131.N only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)T129.OG1 and (T0331)G131.N only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)T129.CG2 and (T0331)G131.N only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)T129.CB and (T0331)G131.N only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)T129.CA and (T0331)G131.N only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)T129.N and (T0331)G131.N only 0.000 apart, marking (T0331)T129.N as missing WARNING: atoms too close: (T0331)L128.C and (T0331)G131.N only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)L128.O and (T0331)G131.N only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)L128.CD2 and (T0331)G131.N only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)L128.CD1 and (T0331)G131.N only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)L128.CG and (T0331)G131.N only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)L128.CB and (T0331)G131.N only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)L128.CA and (T0331)G131.N only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)L128.N and (T0331)G131.N only 0.000 apart, marking (T0331)L128.N as missing WARNING: atoms too close: (T0331)S127.C and (T0331)G131.N only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)S127.O and (T0331)G131.N only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)S127.OG and (T0331)G131.N only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)S127.CB and (T0331)G131.N only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)G131.N only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)S127.N and (T0331)G131.N only 0.000 apart, marking (T0331)S127.N as missing WARNING: atoms too close: (T0331)H126.C and (T0331)G131.N only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)H126.O and (T0331)G131.N only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)G131.N only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)G131.N only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)G131.N only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)G131.N only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)G131.N only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)G131.N only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)G131.N only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)H126.N and (T0331)G131.N only 0.000 apart, marking (T0331)H126.N as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)G131.N only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)G131.N only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)G131.N only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)G131.N only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)G131.N only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)G131.N only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)G131.N only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)G131.N only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)G131.N only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)G131.N only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)G131.N only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)G131.N only 0.000 apart, marking (T0331)Y125.N as missing WARNING: atoms too close: (T0331)F124.C and (T0331)G131.N only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)F124.O and (T0331)G131.N only 0.000 apart, marking (T0331)F124.O as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)G131.N only 0.000 apart, marking (T0331)F124.CZ as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)G131.N only 0.000 apart, marking (T0331)F124.CE2 as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)G131.N only 0.000 apart, marking (T0331)F124.CE1 as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)G131.N only 0.000 apart, marking (T0331)F124.CD2 as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)G131.N only 0.000 apart, marking (T0331)F124.CD1 as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)G131.N only 0.000 apart, marking (T0331)F124.CG as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)G131.N only 0.000 apart, marking (T0331)F124.CB as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)G131.N only 0.000 apart, marking (T0331)F124.CA as missing WARNING: atoms too close: (T0331)F124.N and (T0331)G131.N only 0.000 apart, marking (T0331)F124.N as missing WARNING: atoms too close: (T0331)G123.C and (T0331)G131.N only 0.000 apart, marking (T0331)G123.C as missing WARNING: atoms too close: (T0331)G123.O and (T0331)G131.N only 0.000 apart, marking (T0331)G123.O as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)G131.N only 0.000 apart, marking (T0331)G123.CA as missing WARNING: atoms too close: (T0331)G123.N and (T0331)G131.N only 0.000 apart, marking (T0331)G123.N as missing WARNING: atoms too close: (T0331)H122.C and (T0331)G131.N only 0.000 apart, marking (T0331)H122.C as missing WARNING: atoms too close: (T0331)H122.O and (T0331)G131.N only 0.000 apart, marking (T0331)H122.O as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)G131.N only 0.000 apart, marking (T0331)H122.NE2 as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)G131.N only 0.000 apart, marking (T0331)H122.CE1 as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)G131.N only 0.000 apart, marking (T0331)H122.ND1 as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)G131.N only 0.000 apart, marking (T0331)H122.CD2 as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)G131.N only 0.000 apart, marking (T0331)H122.CG as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)G131.N only 0.000 apart, marking (T0331)H122.CB as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)G131.N only 0.000 apart, marking (T0331)H122.CA as missing WARNING: atoms too close: (T0331)H122.N and (T0331)G131.N only 0.000 apart, marking (T0331)H122.N as missing WARNING: atoms too close: (T0331)G121.C and (T0331)G131.N only 0.000 apart, marking (T0331)G131.N as missing WARNING: atoms too close: (T0331)G131.N and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)Q130.C and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)Q130.O and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)Q130.NE2 and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)Q130.OE1 and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)Q130.CD and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)Q130.CG and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)Q130.CB and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)Q130.CA and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)Q130.N and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)T129.C and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)T129.O and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)T129.OG1 and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)T129.CG2 and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)T129.CB and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)T129.CA and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)T129.N and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)L128.C and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)L128.O and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)L128.CD2 and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)L128.CD1 and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)L128.CG and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)L128.CB and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)L128.CA and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)L128.N and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)S127.C and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)S127.O and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)S127.OG and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)S127.CB and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)S127.N and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)H126.C and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)H126.O and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)H126.N and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)F124.C and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)F124.O and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)F124.N and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)G123.C and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)G123.O and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)G123.N and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)H122.C and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)H122.O and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)H122.N and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)G121.C and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)G131.CA and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)G131.N and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)Q130.C and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)Q130.O and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)Q130.NE2 and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)Q130.OE1 and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)Q130.CD and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)Q130.CG and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)Q130.CB and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)Q130.CA and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)Q130.N and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)T129.C and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)T129.O and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)T129.OG1 and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)T129.CG2 and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)T129.CB and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)T129.CA and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)T129.N and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)L128.C and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)L128.O and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)L128.CD2 and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)L128.CD1 and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)L128.CG and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)L128.CB and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)L128.CA and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)L128.N and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)S127.C and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)S127.O and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)S127.OG and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)S127.CB and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)S127.N and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)H126.C and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)H126.O and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)H126.N and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)F124.C and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)F124.O and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)F124.N and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)G123.C and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)G123.O and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)G123.N and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)H122.C and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)H122.O and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)H122.N and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)G121.C and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)G131.O and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)G131.CA and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)G131.N and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)Q130.C and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)Q130.O and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)Q130.NE2 and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)Q130.OE1 and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)Q130.CD and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)Q130.CG and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)Q130.CB and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)Q130.CA and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)Q130.N and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)T129.C and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)T129.O and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)T129.OG1 and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)T129.CG2 and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)T129.CB and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)T129.CA and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)T129.N and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)L128.C and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)L128.O and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)L128.CD2 and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)L128.CD1 and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)L128.CG and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)L128.CB and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)L128.CA and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)L128.N and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)S127.C and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)S127.O and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)S127.OG and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)S127.CB and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)S127.N and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)H126.C and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)H126.O and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)H126.N and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)F124.C and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)F124.O and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)F124.N and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)G123.C and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)G123.O and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)G123.N and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)H122.C and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)H122.O and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)H122.N and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)G121.C and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing # WARNING: incomplete conformation T0331 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 T0331 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 # Found a chain break before 144 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS5 # ReadConformPDB reading from PDB file servers/Distill_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 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 T0331 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 T0331 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 T0331 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 T0331 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 147 # 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 T0331 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 T0331 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 T0331 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 T0331 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 134 # 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 T0331 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 T0331 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 # Found a chain break before 120 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # ReadConformPDB reading from PDB file servers/FAMS_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 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 4 # 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 135 # 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 72 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # ReadConformPDB reading from PDB file servers/FOLDpro_TS4.pdb.gz looking for model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # ReadConformPDB reading from PDB file servers/FOLDpro_TS5.pdb.gz looking for model 1 # Found a chain break before 80 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # ReadConformPDB reading from PDB file servers/FORTE1_AL1.pdb.gz looking for model 1 Skipped atom 54, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 56, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 58, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 60, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 306, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 308, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 310, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 312, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 362, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 364, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 366, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 368, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 478, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 480, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 482, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 484, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # ReadConformPDB reading from PDB file servers/FORTE1_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL2 # ReadConformPDB reading from PDB file servers/FORTE1_AL3.pdb.gz looking for model 1 Skipped atom 110, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 112, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 114, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 116, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz # WARNING: incomplete conformation T0331 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 Skipped atom 142, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 144, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 146, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 148, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 295, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 312, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 321, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # ReadConformPDB reading from PDB file servers/FORTE1_AL5.pdb.gz looking for model 1 Skipped atom 173, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 510, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz # WARNING: incomplete conformation T0331 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 Skipped atom 54, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 56, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 58, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 60, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 306, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 308, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 310, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 312, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 362, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 364, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 366, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 368, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 478, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 480, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 482, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 484, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # ReadConformPDB reading from PDB file servers/FORTE2_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL2 # ReadConformPDB reading from PDB file servers/FORTE2_AL3.pdb.gz looking for model 1 Skipped atom 110, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 112, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 114, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 116, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # ReadConformPDB reading from PDB file servers/FORTE2_AL4.pdb.gz looking for model 1 Skipped atom 142, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 144, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 146, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 148, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 295, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 312, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 321, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # ReadConformPDB reading from PDB file servers/FORTE2_AL5.pdb.gz looking for model 1 Skipped atom 173, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 510, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz # WARNING: incomplete conformation T0331 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 144 # 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 120 # 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 148 # 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 103 # 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 146 # 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 # naming current conformation FUGMOD_TS1 # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS2 # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS3 # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS4 # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS5 # ReadConformPDB reading from PDB file servers/FUGUE_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL1 # ReadConformPDB reading from PDB file servers/FUGUE_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL2 # ReadConformPDB reading from PDB file servers/FUGUE_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 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 Skipped atom 142, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL4.pdb.gz Skipped atom 144, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL4.pdb.gz Skipped atom 146, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL4.pdb.gz Skipped atom 148, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL4.pdb.gz Skipped atom 295, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL4.pdb.gz Skipped atom 312, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL4.pdb.gz Skipped atom 321, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL4.pdb.gz # WARNING: incomplete conformation T0331 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 Skipped atom 110, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 112, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 114, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 116, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # ReadConformPDB reading from PDB file servers/FUNCTION_TS1.pdb.gz looking for model 1 # Found a chain break before 139 # 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 142 # 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 139 # 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 143 # 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 148 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # ReadConformPDB reading from PDB file servers/Frankenstein_TS1.pdb.gz looking for model 1 # naming current conformation Frankenstein_TS1 # ReadConformPDB reading from PDB file servers/Frankenstein_TS2.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS2 # ReadConformPDB reading from PDB file servers/Frankenstein_TS3.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS3 # ReadConformPDB reading from PDB file servers/Frankenstein_TS4.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS4 # ReadConformPDB reading from PDB file servers/Frankenstein_TS5.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS5 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # Found a chain break before 8 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS1 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS2.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS4 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS5 # ReadConformPDB reading from PDB file servers/HHpred1_TS1.pdb.gz looking for model 1 # naming current conformation HHpred1_TS1 # ReadConformPDB reading from PDB file servers/HHpred2_TS1.pdb.gz looking for model 1 # naming current conformation HHpred2_TS1 # ReadConformPDB reading from PDB file servers/HHpred3_TS1.pdb.gz looking for model 1 # naming current conformation HHpred3_TS1 # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 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 T0331 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 T0331 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 T0331 can't currently be optimized by undertaker # copying to AlignedFragments data structure # 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 T0331 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Huber-Torda-Server_TS5 # ReadConformPDB reading from PDB file servers/LOOPP_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 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 T0331 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 T0331 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 T0331 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 T0331 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS1.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS1 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS2.pdb.gz looking for model 1 # Found a chain break before 116 # 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 40 # 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 63 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS4 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS5.pdb.gz looking for model 1 # naming current conformation Ma-OPUS-server2_TS5 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # naming current conformation Ma-OPUS-server_TS1 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS2.pdb.gz looking for model 1 # naming current conformation Ma-OPUS-server_TS2 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS3.pdb.gz looking for model 1 # Found a chain break before 34 # 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 89 # 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 # 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 146 # 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 148 # 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 146 # 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 148 # 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 142 # 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 # naming current conformation NN_PUT_lab_TS1 # ReadConformPDB reading from PDB file servers/POMYSL_TS1.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS1 # ReadConformPDB reading from PDB file servers/POMYSL_TS2.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS2 # ReadConformPDB reading from PDB file servers/POMYSL_TS3.pdb.gz looking for model 1 # Found a chain break before 135 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS3 # ReadConformPDB reading from PDB file servers/POMYSL_TS4.pdb.gz looking for model 1 WARNING: atom 1 has residue number 82 < previous residue 149 in servers/POMYSL_TS4.pdb.gz # WARNING: incomplete conformation T0331 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 # Found a chain break before 135 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS5 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS1.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS1 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS2.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS2 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS3.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS3 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS4.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS4 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS5.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS5 # ReadConformPDB reading from PDB file servers/PROTINFO_TS1.pdb.gz looking for model 1 # Found a chain break before 71 # 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 139 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # naming current conformation PROTINFO_TS3 # ReadConformPDB reading from PDB file servers/PROTINFO_TS4.pdb.gz looking for model 1 # Found a chain break before 124 # 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 142 # 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 T0331 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 T0331 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # ReadConformPDB reading from PDB file servers/Pcons6_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # ReadConformPDB reading from PDB file servers/Pcons6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 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 T0331 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 T0331 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # ReadConformPDB reading from PDB file servers/Phyre-2_TS1.pdb.gz looking for model 1 # Found a chain break before 141 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # ReadConformPDB reading from PDB file servers/Phyre-2_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # ReadConformPDB reading from PDB file servers/Phyre-2_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # ReadConformPDB reading from PDB file servers/Phyre-2_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 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 # Found a chain break before 126 # 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 140 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS3.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS3 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS4.pdb.gz looking for model 1 # naming current conformation Pmodeller6_TS4 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS5 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS1.pdb.gz looking for model 1 # naming current conformation RAPTOR-ACE_TS1 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS2.pdb.gz looking for model 1 # naming current conformation RAPTOR-ACE_TS2 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS3.pdb.gz looking for model 1 # naming current conformation RAPTOR-ACE_TS3 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS4.pdb.gz looking for model 1 # naming current conformation RAPTOR-ACE_TS4 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS5.pdb.gz looking for model 1 # naming current conformation RAPTOR-ACE_TS5 # ReadConformPDB reading from PDB file servers/RAPTORESS_TS1.pdb.gz looking for model 1 # naming current conformation RAPTORESS_TS1 # ReadConformPDB reading from PDB file servers/RAPTORESS_TS2.pdb.gz looking for model 1 # Found a chain break before 148 # 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 72 # 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 145 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # ReadConformPDB reading from PDB file servers/RAPTORESS_TS5.pdb.gz looking for model 1 # naming current conformation RAPTORESS_TS5 # ReadConformPDB reading from PDB file servers/RAPTOR_TS1.pdb.gz looking for model 1 # 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 119 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # ReadConformPDB reading from PDB file servers/RAPTOR_TS4.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # ReadConformPDB reading from PDB file servers/RAPTOR_TS5.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS5 # ReadConformPDB reading from PDB file servers/ROBETTA_TS1.pdb.gz looking for model 1 # Found a chain break before 140 # 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 139 # 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 137 # 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 138 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # ReadConformPDB reading from PDB file servers/ROBETTA_TS5.pdb.gz looking for model 1 # naming current conformation ROBETTA_TS5 # ReadConformPDB reading from PDB file servers/ROKKY_TS1.pdb.gz looking for model 1 # Found a chain break before 64 # 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 133 # 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 122 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # ReadConformPDB reading from PDB file servers/ROKKY_TS4.pdb.gz looking for model 1 # naming current conformation ROKKY_TS4 # ReadConformPDB reading from PDB file servers/ROKKY_TS5.pdb.gz looking for model 1 # naming current conformation ROKKY_TS5 # ReadConformPDB reading from PDB file servers/SAM-T02_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T02_AL1 # ReadConformPDB reading from PDB file servers/SAM-T02_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T02_AL2 # ReadConformPDB reading from PDB file servers/SAM-T02_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T02_AL3 # ReadConformPDB reading from PDB file servers/SAM-T02_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T02_AL4 # ReadConformPDB reading from PDB file servers/SAM-T02_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T02_AL5 # ReadConformPDB reading from PDB file servers/SAM-T99_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 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 T0331 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 T0331 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 T0331 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 T0331 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 140 # 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 T0331 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 T0331 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 T0331 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 T0331 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 # naming current conformation SP3_TS1 # ReadConformPDB reading from PDB file servers/SP3_TS2.pdb.gz looking for model 1 # naming current conformation SP3_TS2 # ReadConformPDB reading from PDB file servers/SP3_TS3.pdb.gz looking for model 1 # Found a chain break before 132 # 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 145 # 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 110 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # ReadConformPDB reading from PDB file servers/SP4_TS1.pdb.gz looking for model 1 # naming current conformation SP4_TS1 # ReadConformPDB reading from PDB file servers/SP4_TS2.pdb.gz looking for model 1 # Found a chain break before 2 # 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 128 # 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 32 # 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 78 # 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 133 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # ReadConformPDB reading from PDB file servers/SPARKS2_TS2.pdb.gz looking for model 1 # naming current conformation SPARKS2_TS2 # ReadConformPDB reading from PDB file servers/SPARKS2_TS3.pdb.gz looking for model 1 # Found a chain break before 99 # 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 82 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # ReadConformPDB reading from PDB file servers/SPARKS2_TS5.pdb.gz looking for model 1 # Found a chain break before 32 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 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 T0331 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 T0331 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 T0331 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 T0331 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # ReadConformPDB reading from PDB file servers/UNI-EID_expm_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 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 T0331 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 T0331 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 T0331 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 T0331 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 131 # 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 135 # 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 145 # 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 134 # 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 73 # 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 148 # 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 T0331 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation beautshotbase_TS1 # ReadConformPDB reading from PDB file servers/forecast-s_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL1 # ReadConformPDB reading from PDB file servers/forecast-s_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 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 Skipped atom 121, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 122, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 123, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 124, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 505, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 506, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 507, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 508, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 513, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 514, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 515, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 516, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 521, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 522, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 523, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 524, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 529, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 530, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 531, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 532, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 537, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 538, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 539, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 540, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 545, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 546, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 547, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 548, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 553, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 554, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 555, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 556, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 561, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 562, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 563, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 564, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 569, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 570, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 571, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 572, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 577, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 578, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 579, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 580, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 585, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 586, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 587, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 588, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 593, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 594, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 595, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 596, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 601, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 602, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 603, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 604, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL3 # ReadConformPDB reading from PDB file servers/forecast-s_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # ReadConformPDB reading from PDB file servers/forecast-s_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 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 T0331 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 T0331 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 T0331 can't currently be optimized by undertaker # naming current conformation gtg_AL3 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # Found a chain break before 114 # 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 114 # 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 14 # 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 141 # 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 111 # 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: (T0331)T46.O and (T0331)S47.N only 0.000 apart, marking (T0331)S47.N as missing # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS2.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS3.pdb.gz looking for model 1 WARNING: atoms too close: (T0331)T46.O and (T0331)S47.N only 0.000 apart, marking (T0331)S47.N as missing WARNING: atoms too close: (T0331)Y100.O and (T0331)Y101.N only 0.000 apart, marking (T0331)Y101.N as missing WARNING: atoms too close: (T0331)Y101.O and (T0331)Q102.N only 0.000 apart, marking (T0331)Y101.O as missing # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS4.pdb.gz looking for model 1 WARNING: atoms too close: (T0331)I9.O and (T0331)L10.N only 0.000 apart, marking (T0331)L10.N as missing # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS5.pdb.gz looking for model 1 # Found a chain break before 146 # 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 T0331 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 T0331 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS2 # ReadConformPDB reading from PDB file servers/karypis.srv_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS3 # ReadConformPDB reading from PDB file servers/karypis.srv_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 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 T0331 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS5 # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS1 # ReadConformPDB reading from PDB file servers/keasar-server_TS2.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS2 # ReadConformPDB reading from PDB file servers/keasar-server_TS3.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS3 # ReadConformPDB reading from PDB file servers/keasar-server_TS4.pdb.gz looking for model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS4 # ReadConformPDB reading from PDB file servers/keasar-server_TS5.pdb.gz looking for model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS5 # ReadConformPDB reading from PDB file servers/mGen-3D_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 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 T0331 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 T0331 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 T0331 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS3 # ReadConformPDB reading from PDB file servers/nFOLD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 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 T0331 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS5 # ReadConformPDB reading from PDB file servers/panther2_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 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 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation shub_TS1 # command:Using radius: 8.0000 Using models AND alignments for constraints model score 0.5114 model score 0.6339 model score 0.5892 model score 0.6525 model score 0.5846 model score 0.0926 model score 0.0845 model score 0.0708 model score 0.1152 model score 0.1210 model score 0.1784 model score 0.5982 model score 0.5671 model score 0.6347 model score 0.5871 model score 0.0780 model score -0.2193 model score -0.2312 model score -0.0251 model score 0.0574 model score 1.0105 model score 1.1847 model score 1.5427 model score 1.3345 model score 1.3782 model score -0.4951 model score 0.6263 model score -0.5240 model score 0.3492 model score 1.0849 model score 0.4892 model score -0.4738 model score -0.4547 model score -0.4171 model score -0.3197 model score -0.4509 model score 0.4099 model score -0.1835 model score -0.0198 model score -0.4178 model score 0.3873 model score 1.2799 model score 1.2790 model score 1.2800 model score 1.2812 model score 1.2780 model score -0.3408 model score -0.3460 model score 0.0334 model score -0.4506 model score -0.3896 model score -0.2922 model score -0.4171 model score -0.4509 model score -0.4738 model score -0.3460 model score 0.0780 model score -0.2205 model score -0.2312 model score 0.4603 model score -0.0251 model score 1.2692 model score 1.2871 model score 1.2722 model score 1.2710 model score 1.2691 model score 1.2692 model score 1.2871 model score 1.2722 model score 1.2710 model score 1.2691 model score 1.6210 model score 1.8752 model score 2.0584 model score 2.2794 model score 2.1556 model score 0.5067 model score 0.4825 model score 0.4716 model score 0.3669 model score 0.3266 model score 1.2856 model score 1.2876 model score 1.2861 model score 1.2858 model score 1.2820 model score 0.5798 model score 0.5959 model score 0.5853 model score 0.5368 model score 0.5472 model score -0.2126 model score 0.4303 model score 0.3891 model score 0.7801 model score 0.7801 model score 0.5180 model score 0.5195 model score -0.2564 model score 0.3493 model score -0.3867 model score -0.4951 model score -0.4951 model score -0.2012 model score 0.2446 model score 0.2377 model score -0.3071 model score 0.5825 model score -0.3346 model score -0.1531 model score -0.4048 model score -0.3394 model score -0.3325 model score -0.3992 model score 0.4865 model score -0.4596 model score -0.4685 model score -0.3793 model score -0.3964 model score 0.4380 model score -0.3651 model score -0.5244 model score -0.4222 model score -0.5061 model score -0.4451 model score -0.4453 model score -0.3816 model score -0.3464 model score -0.3890 model score 2.0535 model score 1.7125 model score 1.7531 model score 1.5522 model score 1.8726 model score 0.4930 model score 0.4909 model score 0.4910 model score 0.4872 model score 0.4867 model score 0.5136 model score 0.5217 model score 0.5085 model score 0.4543 model score 0.5123 model score -0.3911 model score -0.4015 model score -0.3932 model score -0.3916 model score -0.3696 model score -0.3901 model score -0.3803 model score -0.3781 model score -0.3511 model score -0.4134 model score -0.3802 model score -0.3930 model score -0.4890 model score -0.4752 model score -0.4908 model score -0.5109 model score -0.3890 model score -0.4186 model score -0.3835 model score -0.4230 model score -0.3979 model score -0.3866 model score -0.2365 model score -0.3615 model score -0.4280 model score -0.3304 model score -0.4441 model score -0.3655 model score -0.3962 model score -0.4621 model score -0.3863 model score -0.3930 model score -0.4174 model score -0.4752 model score -0.4890 model score -0.4908 model score 0.9396 model score 0.5868 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1.2656 model score 1.2688 model score 1.2853 model score 1.2754 model score 1.2860 model score 1.2792 model score 1.2810 model score 1.2771 model score -0.3617 model score -0.3037 model score -0.3355 model score -0.2914 model score 1.3098 model score 1.8937 model score 2.0663 model score 2.2758 model score 2.0269 model score 2.2864 model score -0.3733 model score -0.3810 model score -0.4423 model score -0.3499 model score 1.4514 model score -0.2716 model score -0.2380 model score -0.2716 model score -0.2859 model score -0.2643 model score -0.4340 model score -0.3209 model score -0.3154 model score 0.5363 model score -0.4121 model score 0.6462 model score 0.1859 model score -0.4875 USE_META, weight: 0.6684 cost: 0.5114 min: -0.5244 max: 2.2864 USE_META, weight: 0.6291 cost: 0.6339 min: -0.5244 max: 2.2864 USE_META, weight: 0.6434 cost: 0.5892 min: -0.5244 max: 2.2864 USE_META, weight: 0.6232 cost: 0.6525 min: -0.5244 max: 2.2864 USE_META, weight: 0.6449 cost: 0.5846 min: -0.5244 max: 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min: -0.5244 max: 2.2864 USE_META, weight: 0.9479 cost: -0.3617 min: -0.5244 max: 2.2864 USE_META, weight: 0.9294 cost: -0.3037 min: -0.5244 max: 2.2864 USE_META, weight: 0.9395 cost: -0.3355 min: -0.5244 max: 2.2864 USE_META, weight: 0.9254 cost: -0.2914 min: -0.5244 max: 2.2864 USE_META, weight: 0.4127 cost: 1.3098 min: -0.5244 max: 2.2864 USE_META, weight: 0.2258 cost: 1.8937 min: -0.5244 max: 2.2864 USE_META, weight: 0.1705 cost: 2.0663 min: -0.5244 max: 2.2864 USE_META, weight: 0.1034 cost: 2.2758 min: -0.5244 max: 2.2864 USE_META, weight: 0.1831 cost: 2.0269 min: -0.5244 max: 2.2864 USE_META, weight: 0.1000 cost: 2.2864 min: -0.5244 max: 2.2864 USE_META, weight: 0.9516 cost: -0.3733 min: -0.5244 max: 2.2864 USE_META, weight: 0.9541 cost: -0.3810 min: -0.5244 max: 2.2864 USE_META, weight: 0.9737 cost: -0.4423 min: -0.5244 max: 2.2864 USE_META, weight: 0.9441 cost: -0.3499 min: -0.5244 max: 2.2864 USE_META, weight: 0.3674 cost: 1.4514 min: -0.5244 max: 2.2864 USE_META, weight: 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3.7194 USE_EVALUE, weight: 0.9805 eval: 0.0807 min: 0.0000 max: 3.7194 USE_EVALUE, weight: 0.9805 eval: 0.0807 min: 0.0000 max: 3.7194 USE_EVALUE, weight: 0.9805 eval: 0.0807 min: 0.0000 max: 3.7194 USE_EVALUE, weight: 0.9125 eval: 0.3616 min: 0.0000 max: 3.7194 USE_EVALUE, weight: 0.9125 eval: 0.3616 min: 0.0000 max: 3.7194 USE_EVALUE, weight: 0.9125 eval: 0.3616 min: 0.0000 max: 3.7194 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 3.7194 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 3.7194 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 3.7194 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 3.7194 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 3.7194 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 3.7194 USE_EVALUE, weight: 0.9989 eval: 0.0047 min: 0.0000 max: 3.7194 USE_EVALUE, weight: 0.9989 eval: 0.0047 min: 0.0000 max: 3.7194 USE_EVALUE, weight: 0.9989 eval: 0.0047 min: 0.0000 max: 3.7194 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 3.7194 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 3.7194 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 3.7194 USE_EVALUE, weight: 0.8520 eval: 0.6117 min: 0.0000 max: 3.7194 USE_EVALUE, weight: 0.8520 eval: 0.6117 min: 0.0000 max: 3.7194 USE_EVALUE, weight: 0.8520 eval: 0.6117 min: 0.0000 max: 3.7194 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 3.7194 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 3.7194 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 3.7194 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 3.7194 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 3.7194 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 3.7194 USE_EVALUE, weight: 0.9996 eval: 0.0016 min: 0.0000 max: 3.7194 USE_EVALUE, weight: 0.9996 eval: 0.0016 min: 0.0000 max: 3.7194 USE_EVALUE, weight: 0.9996 eval: 0.0016 min: 0.0000 max: 3.7194 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 3.7194 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 3.7194 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 3.7194 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 3.7194 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 3.7194 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 3.7194 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 3.7194 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 3.7194 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 3.7194 USE_EVALUE, weight: 0.9100 eval: 0.3717 min: 0.0000 max: 3.7194 USE_EVALUE, weight: 0.9100 eval: 0.3717 min: 0.0000 max: 3.7194 USE_EVALUE, weight: 0.9100 eval: 0.3717 min: 0.0000 max: 3.7194 USE_EVALUE, weight: 0.1000 eval: 3.7194 min: 0.0000 max: 3.7194 USE_EVALUE, weight: 0.1000 eval: 3.7194 min: 0.0000 max: 3.7194 USE_EVALUE, weight: 0.1000 eval: 3.7194 min: 0.0000 max: 3.7194 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 3.7194 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 3.7194 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 3.7194 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 3.7194 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 3.7194 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 3.7194 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 3.7194 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 3.7194 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 3.7194 USE_EVALUE, weight: 1.0000 eval: 0.0001 min: 0.0000 max: 3.7194 USE_EVALUE, weight: 1.0000 eval: 0.0001 min: 0.0000 max: 3.7194 USE_EVALUE, weight: 1.0000 eval: 0.0001 min: 0.0000 max: 3.7194 USE_EVALUE, weight: 0.9998 eval: 0.0006 min: 0.0000 max: 3.7194 USE_EVALUE, weight: 0.9998 eval: 0.0006 min: 0.0000 max: 3.7194 USE_EVALUE, weight: 0.9998 eval: 0.0006 min: 0.0000 max: 3.7194 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 3.7194 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 3.7194 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 3.7194 Number of contacts in models: 269 Number of contacts in alignments: 66 NUMB_ALIGNS: 66 Adding 5596 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: -266.7606, CN propb: -266.7606 weights: 0.3113 constraints: 485 # command:Found ConstraintSet # PrintContacts align.constraints_meta03 Number of constraints in align3.constraints 485 # command:Found ConstraintSet # PrintContacts align_bonus.constraints_meta03 Number of constraints in align3.constraints.bonus 485 # command:Found ConstraintSet # PrintContacts rejected.constraints_meta03 Number of constraints in rejected3.constraints 5111 # command:Found ConstraintSet # PrintContacts rejected_bonus.constraints_meta03 Number of constraints in rejected3.constraints.bonus 5111 # 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 5596 # command: