diff --git a/data/fasta/4e46.fasta b/data/fasta/4e46.fasta new file mode 100644 index 0000000..1479fdc --- /dev/null +++ b/data/fasta/4e46.fasta @@ -0,0 +1,2 @@ +>4E46_1|Chain A|Haloalkane dehalogenase|Rhodococcus rhodochrous (1829) +MSEIGTGFPFDPHYVEVLGERMHYVDVGPRDGTPVLFLHGNPTSSYLWRNIIPHVAPSHRCIAPDLIGMGKSDKPDLDYFFDDHVRYLDAFIEALGLEEVVLVIHDWGSALGFHWAKRNPERVKGIACMEFIRPIPTWDEWPEFARETFQAFRTADVGRELIIDQNAFIEGALPKCVVRPLTEVEMDHYREPFLKPVDREPLWRFPNELPIAGEPANIVALVEAYMNWLHQSPVPKLLFWGTPGVLIPPAEAARLAESLPNCKTVDIGPGLHYLQEDNPDLIGSEIARWLPALHHH diff --git a/data/gb/WP_255973355.gb b/data/gb/WP_255973355.gb new file mode 100644 index 0000000..717eb22 --- /dev/null +++ b/data/gb/WP_255973355.gb @@ -0,0 +1,40 @@ +LOCUS WP_255973355 293 aa linear BCT 31-JUL-2022 +DEFINITION haloalkane dehalogenase [Rhodococcus tibetensis]. +ACCESSION WP_255973355 +VERSION WP_255973355.1 +KEYWORDS RefSeq. +SOURCE Rhodococcus tibetensis + ORGANISM Rhodococcus tibetensis + Bacteria; Bacillati; Actinomycetota; Actinomycetes; Mycobacteriales; + Nocardiaceae; Rhodococcus. +COMMENT ##Evidence-For-Name-Assignment-START## + Evidence Category :: HMM + Evidence Accession :: NF002938.0 + Evidence Source :: NCBI Protein Cluster (PRK) + Source Identifier :: PRK03592 + ##Evidence-For-Name-Assignment-END## + REFSEQ: This record represents a single, non-redundant, protein + sequence which may be annotated on many different RefSeq genomes + from the same, or different, species. + COMPLETENESS: full length. +FEATURES Location/Qualifiers + source 1..293 + /organism="Rhodococcus tibetensis" + /db_xref="taxon:2965064" + Protein 1..293 + /product="haloalkane dehalogenase" + /EC_number="3.8.1.5" + /GO_function="GO:0018786 - haloalkane dehalogenase activity + [Evidence IEA]" + /calculated_mol_wt="33199" + Region 4..293 + /region_name="PRK03592" + /note="haloalkane dehalogenase; Provisional" + /db_xref="CDD:235135" +ORIGIN + 1 mseigtafsf dphymevlge rmhyvdvgpr dgtpvlflhg nptssylwrn iiphvspthr + 61 ciapdligmg ksdkpelgys fddhvrylda fiealdleev vlvihdwgsa lgfhwakrnp + 121 grvkgiacme firpiqtwdd wpefaresfq afrtgdvgre liidqnafie avlpkcvvrp + 181 ltevemdhyr epflkpvdre plwrfpnelp iagapehmvs vvedymnwlh qspvpklmfw + 241 gtpgvlippa eatrlaeslp nckavdigpg lhylqednpd ligseiarwl pal +// diff --git a/data/gb/pET-28a(+).gb b/data/gb/pET-28a(+).gb new file mode 100644 index 0000000..c39bb21 --- /dev/null +++ b/data/gb/pET-28a(+).gb @@ -0,0 +1,193 @@ +LOCUS 40924_17796 5369 bp DNA circular SYN 14-OCT-2021 +DEFINITION synthetic circular DNA. +ACCESSION . +VERSION . +KEYWORDS . +SOURCE synthetic DNA construct + ORGANISM synthetic DNA construct +REFERENCE 1 (bases 1 to 5369) + AUTHORS caoheibi + TITLE Direct Submission +REFERENCE 2 (bases 1 to 5369) + AUTHORS . + TITLE Direct Submission +COMMENT SGRef: number: 1; type: "Journal Article" +FEATURES Location/Qualifiers + source 1..5369 + /mol_type="other DNA" + /organism="synthetic DNA construct" + terminator complement(26..73) + /label=T7 terminator + /note="transcription terminator for bacteriophage T7 RNA + polymerase" + CDS complement(140..157) + /codon_start=1 + /label=6xHis + /note="6xHis affinity tag" + /translation="HHHHHH" + CDS complement(207..239) + /codon_start=1 + /label=T7 tag (gene 10 leader) + /note="leader peptide from bacteriophage T7 gene 10" + /translation="MASMTGGQQMG" + CDS complement(243..260) + /codon_start=1 + /label=thrombin site + /note="thrombin recognition and cleavage site" + /translation="LVPRGS" + CDS complement(270..287) + /codon_start=1 + /label=6xHis + /note="6xHis affinity tag" + /translation="HHHHHH" + RBS complement(306..328) + /label=RBS + /note="efficient ribosome binding site from bacteriophage + T7 gene 10 (Olins and Rangwala, 1989)" + protein_bind complement(343..367) + /label=lac operator + /note="The lac repressor binds to the lac operator to + inhibit transcription in E. coli. This inhibition can be + relieved by adding lactose or + isopropyl-beta-D-thiogalactopyranoside (IPTG)." + promoter complement(368..386) + /label=T7 promoter + /note="promoter for bacteriophage T7 RNA polymerase" + promoter 695..772 + /label=lacI promoter + CDS 773..1852 + /codon_start=1 + /label=lacI + /note="lac repressor" + /translation="VKPVTLYDVAEYAGVSYQTVSRVVNQASHVSAKTREKVEAAMAEL + NYIPNRVAQQLAGKQSLLIGVATSSLALHAPSQIVAAIKSRADQLGASVVVSMVERSGV + EACKAAVHNLLAQRVSGLIINYPLDDQDAIAVEAACTNVPALFLDVSDQTPINSIIFSH + EDGTRLGVEHLVALGHQQIALLAGPLSSVSARLRLAGWHKYLTRNQIQPIAEREGDWSA + MSGFQQTMQMLNEGIVPTAMLVANDQMALGAMRAITESGLRVGADISVVGYDDTEDSSC + YIPPLTTIKQDFRLLGQTSVDRLLQLSQGQAVKGNQLLPVSLVKRKTTLAPNTQTASPR + ALADSLMQLARQVSRLESGQ" + protein_bind 1868..1889 + /label=CAP binding site + /note="CAP binding activates transcription in the presence + of cAMP." + CDS 2664..2852 + /codon_start=1 + /label=rop + /note="Rop protein, which maintains plasmids at low copy + number" + /translation="VTKQEKTALNMARFIRSQTLTLLEKLNELDADEQADICESLHDHA + DELYRSCLARFGDDGENL" + misc_feature 2957..3099 + /label=bom + /note="basis of mobility region from pBR322" + rep_origin complement(3285..3873) + /direction=LEFT + /label=ori + /note="high-copy-number ColE1/pMB1/pBR322/pUC origin of + replication" + CDS 3995..4807 + /codon_start=1 + /label=KanR + /note="aminoglycoside phosphotransferase" + /translation="MSHIQRETSCSRPRLNSNMDADLYGYKWARDNVGQSGATIYRLYG + KPDAPELFLKHGKGSVANDVTDEMVRLNWLTEFMPLPTIKHFIRTPDDAWLLTTAIPGK + TAFQVLEEYPDSGENIVDALAVFLRRLHSIPVCNCPFNSDRVFRLAQAQSRMNNGLVDA + SDFDDERNGWPVEQVWKEMHKLLPFSPDSVVTHGDFSLDNLIFDEGKLIGCIDVGRVGI + ADRYQDLAILWNCLGEFSPSLQKRLFQKYGIDNPDMNKLQFHLMLDEFF" + rep_origin complement(4903..5358) + /direction=LEFT + /label=f1 ori + /note="f1 bacteriophage origin of replication; arrow + indicates direction of (+) strand synthesis" +ORIGIN + 1 atccggatat agttcctcct ttcagcaaaa aacccctcaa gacccgttta gaggccccaa + 61 ggggttatgc tagttattgc tcagcggtgg cagcagccaa ctcagcttcc tttcgggctt + 121 tgttagcagc cggatctcag tggtggtggt ggtggtgctc gagtgcggcc gcaagcttgt + 181 cgacggagct cgaattcgga tccgcgaccc atttgctgtc caccagtcat gctagccata + 241 tggctgccgc gcggcaccag gccgctgctg tgatgatgat gatgatggct gctgcccatg + 301 gtatatctcc ttcttaaagt taaacaaaat tatttctaga ggggaattgt tatccgctca + 361 caattcccct atagtgagtc gtattaattt cgcgggatcg agatctcgat cctctacgcc + 421 ggacgcatcg tggccggcat caccggcgcc acaggtgcgg ttgctggcgc ctatatcgcc + 481 gacatcaccg atggggaaga tcgggctcgc cacttcgggc tcatgagcgc ttgtttcggc + 541 gtgggtatgg tggcaggccc cgtggccggg ggactgttgg gcgccatctc cttgcatgca + 601 ccattccttg cggcggcggt gctcaacggc ctcaacctac tactgggctg cttcctaatg + 661 caggagtcgc ataagggaga gcgtcgagat cccggacacc atcgaatggc gcaaaacctt + 721 tcgcggtatg gcatgatagc gcccggaaga gagtcaattc agggtggtga atgtgaaacc + 781 agtaacgtta tacgatgtcg cagagtatgc cggtgtctct tatcagaccg tttcccgcgt + 841 ggtgaaccag gccagccacg tttctgcgaa aacgcgggaa aaagtggaag cggcgatggc + 901 ggagctgaat tacattccca accgcgtggc acaacaactg gcgggcaaac agtcgttgct + 961 gattggcgtt gccacctcca gtctggccct gcacgcgccg tcgcaaattg tcgcggcgat + 1021 taaatctcgc gccgatcaac tgggtgccag cgtggtggtg tcgatggtag aacgaagcgg + 1081 cgtcgaagcc tgtaaagcgg cggtgcacaa tcttctcgcg caacgcgtca gtgggctgat + 1141 cattaactat ccgctggatg accaggatgc cattgctgtg gaagctgcct gcactaatgt + 1201 tccggcgtta tttcttgatg tctctgacca gacacccatc aacagtatta ttttctccca + 1261 tgaagacggt acgcgactgg gcgtggagca tctggtcgca ttgggtcacc agcaaatcgc + 1321 gctgttagcg ggcccattaa gttctgtctc ggcgcgtctg cgtctggctg gctggcataa + 1381 atatctcact cgcaatcaaa ttcagccgat agcggaacgg gaaggcgact ggagtgccat + 1441 gtccggtttt caacaaacca tgcaaatgct gaatgagggc atcgttccca ctgcgatgct + 1501 ggttgccaac gatcagatgg cgctgggcgc aatgcgcgcc attaccgagt ccgggctgcg + 1561 cgttggtgcg gatatctcgg tagtgggata cgacgatacc gaagacagct catgttatat + 1621 cccgccgtta accaccatca aacaggattt tcgcctgctg gggcaaacca gcgtggaccg + 1681 cttgctgcaa ctctctcagg gccaggcggt gaagggcaat cagctgttgc ccgtctcact + 1741 ggtgaaaaga aaaaccaccc tggcgcccaa tacgcaaacc gcctctcccc gcgcgttggc + 1801 cgattcatta atgcagctgg cacgacaggt ttcccgactg gaaagcgggc agtgagcgca + 1861 acgcaattaa tgtaagttag ctcactcatt aggcaccggg atctcgaccg atgcccttga + 1921 gagccttcaa cccagtcagc tccttccggt gggcgcgggg catgactatc gtcgccgcac + 1981 ttatgactgt cttctttatc atgcaactcg taggacaggt gccggcagcg ctctgggtca + 2041 ttttcggcga ggaccgcttt cgctggagcg cgacgatgat cggcctgtcg cttgcggtat + 2101 tcggaatctt gcacgccctc gctcaagcct tcgtcactgg tcccgccacc aaacgtttcg + 2161 gcgagaagca ggccattatc gccggcatgg cggccccacg ggtgcgcatg atcgtgctcc + 2221 tgtcgttgag gacccggcta ggctggcggg gttgccttac tggttagcag aatgaatcac + 2281 cgatacgcga gcgaacgtga agcgactgct gctgcaaaac gtctgcgacc tgagcaacaa + 2341 catgaatggt cttcggtttc cgtgtttcgt aaagtctgga aacgcggaag tcagcgccct + 2401 gcaccattat gttccggatc tgcatcgcag gatgctgctg gctaccctgt ggaacaccta + 2461 catctgtatt aacgaagcgc tggcattgac cctgagtgat ttttctctgg tcccgccgca + 2521 tccataccgc cagttgttta ccctcacaac gttccagtaa ccgggcatgt tcatcatcag + 2581 taacccgtat cgtgagcatc ctctctcgtt tcatcggtat cattaccccc atgaacagaa + 2641 atccccctta cacggaggca tcagtgacca aacaggaaaa aaccgccctt aacatggccc + 2701 gctttatcag aagccagaca ttaacgcttc tggagaaact caacgagctg gacgcggatg + 2761 aacaggcaga catctgtgaa tcgcttcacg accacgctga tgagctttac cgcagctgcc + 2821 tcgcgcgttt cggtgatgac ggtgaaaacc tctgacacat gcagctcccg gagacggtca + 2881 cagcttgtct gtaagcggat gccgggagca gacaagcccg tcagggcgcg tcagcgggtg + 2941 ttggcgggtg tcggggcgca gccatgaccc agtcacgtag cgatagcgga gtgtatactg + 3001 gcttaactat gcggcatcag agcagattgt actgagagtg caccatatat gcggtgtgaa + 3061 ataccgcaca gatgcgtaag gagaaaatac cgcatcaggc gctcttccgc ttcctcgctc + 3121 actgactcgc tgcgctcggt cgttcggctg cggcgagcgg tatcagctca ctcaaaggcg + 3181 gtaatacggt tatccacaga atcaggggat aacgcaggaa agaacatgtg agcaaaaggc + 3241 cagcaaaagg ccaggaaccg taaaaaggcc gcgttgctgg cgtttttcca taggctccgc + 3301 ccccctgacg agcatcacaa aaatcgacgc tcaagtcaga ggtggcgaaa cccgacagga + 3361 ctataaagat accaggcgtt tccccctgga agctccctcg tgcgctctcc tgttccgacc + 3421 ctgccgctta ccggatacct gtccgccttt ctcccttcgg gaagcgtggc gctttctcat + 3481 agctcacgct gtaggtatct cagttcggtg taggtcgttc gctccaagct gggctgtgtg + 3541 cacgaacccc ccgttcagcc cgaccgctgc gccttatccg gtaactatcg tcttgagtcc + 3601 aacccggtaa gacacgactt atcgccactg gcagcagcca ctggtaacag gattagcaga + 3661 gcgaggtatg taggcggtgc tacagagttc ttgaagtggt ggcctaacta cggctacact + 3721 agaaggacag tatttggtat ctgcgctctg ctgaagccag ttaccttcgg aaaaagagtt + 3781 ggtagctctt gatccggcaa acaaaccacc gctggtagcg gtggtttttt tgtttgcaag + 3841 cagcagatta cgcgcagaaa aaaaggatct caagaagatc ctttgatctt ttctacgggg + 3901 tctgacgctc agtggaacga aaactcacgt taagggattt tggtcatgaa caataaaact + 3961 gtctgcttac ataaacagta atacaagggg tgttatgagc catattcaac gggaaacgtc + 4021 ttgctctagg ccgcgattaa attccaacat ggatgctgat ttatatgggt ataaatgggc + 4081 tcgcgataat gtcgggcaat caggtgcgac aatctatcga ttgtatggga agcccgatgc + 4141 gccagagttg tttctgaaac atggcaaagg tagcgttgcc aatgatgtta cagatgagat + 4201 ggtcagacta aactggctga cggaatttat gcctcttccg accatcaagc attttatccg + 4261 tactcctgat gatgcatggt tactcaccac tgcgatcccc gggaaaacag cattccaggt + 4321 attagaagaa tatcctgatt caggtgaaaa tattgttgat gcgctggcag tgttcctgcg + 4381 ccggttgcat tcgattcctg tttgtaattg tccttttaac agcgatcgcg tatttcgtct + 4441 cgctcaggcg caatcacgaa tgaataacgg tttggttgat gcgagtgatt ttgatgacga + 4501 gcgtaatggc tggcctgttg aacaagtctg gaaagaaatg cataaacttt tgccattctc + 4561 accggattca gtcgtcactc atggtgattt ctcacttgat aaccttattt ttgacgaggg + 4621 gaaattaata ggttgtattg atgttggacg agtcggaatc gcagaccgat accaggatct + 4681 tgccatccta tggaactgcc tcggtgagtt ttctccttca ttacagaaac ggctttttca + 4741 aaaatatggt attgataatc ctgatatgaa taaattgcag tttcatttga tgctcgatga + 4801 gtttttctaa gaattaattc atgagcggat acatatttga atgtatttag aaaaataaac + 4861 aaataggggt tccgcgcaca tttccccgaa aagtgccacc tgaaattgta aacgttaata + 4921 ttttgttaaa attcgcgtta aatttttgtt aaatcagctc attttttaac caataggccg + 4981 aaatcggcaa aatcccttat aaatcaaaag aatagaccga gatagggttg agtgttgttc + 5041 cagtttggaa caagagtcca ctattaaaga acgtggactc caacgtcaaa gggcgaaaaa + 5101 ccgtctatca gggcgatggc ccactacgtg aaccatcacc ctaatcaagt tttttggggt + 5161 cgaggtgccg taaagcacta aatcggaacc ctaaagggag cccccgattt agagcttgac + 5221 ggggaaagcc ggcgaacgtg gcgagaaagg aagggaagaa agcgaaagga gcgggcgcta + 5281 gggcgctggc aagtgtagcg gtcacgctgc gcgtaaccac cacacccgcc gcgcttaatg + 5341 cgccgctaca gggcgcgtcc cattcgcca +// diff --git a/data/gb/pet28a.gb b/data/gb/pet28a.gb new file mode 100644 index 0000000..c39bb21 --- /dev/null +++ b/data/gb/pet28a.gb @@ -0,0 +1,193 @@ +LOCUS 40924_17796 5369 bp DNA circular SYN 14-OCT-2021 +DEFINITION synthetic circular DNA. +ACCESSION . +VERSION . +KEYWORDS . +SOURCE synthetic DNA construct + ORGANISM synthetic DNA construct +REFERENCE 1 (bases 1 to 5369) + AUTHORS caoheibi + TITLE Direct Submission +REFERENCE 2 (bases 1 to 5369) + AUTHORS . + TITLE Direct Submission +COMMENT SGRef: number: 1; type: "Journal Article" +FEATURES Location/Qualifiers + source 1..5369 + /mol_type="other DNA" + /organism="synthetic DNA construct" + terminator complement(26..73) + /label=T7 terminator + /note="transcription terminator for bacteriophage T7 RNA + polymerase" + CDS complement(140..157) + /codon_start=1 + /label=6xHis + /note="6xHis affinity tag" + /translation="HHHHHH" + CDS complement(207..239) + /codon_start=1 + /label=T7 tag (gene 10 leader) + /note="leader peptide from bacteriophage T7 gene 10" + /translation="MASMTGGQQMG" + CDS complement(243..260) + /codon_start=1 + /label=thrombin site + /note="thrombin recognition and cleavage site" + /translation="LVPRGS" + CDS complement(270..287) + /codon_start=1 + /label=6xHis + /note="6xHis affinity tag" + /translation="HHHHHH" + RBS complement(306..328) + /label=RBS + /note="efficient ribosome binding site from bacteriophage + T7 gene 10 (Olins and Rangwala, 1989)" + protein_bind complement(343..367) + /label=lac operator + /note="The lac repressor binds to the lac operator to + inhibit transcription in E. coli. This inhibition can be + relieved by adding lactose or + isopropyl-beta-D-thiogalactopyranoside (IPTG)." + promoter complement(368..386) + /label=T7 promoter + /note="promoter for bacteriophage T7 RNA polymerase" + promoter 695..772 + /label=lacI promoter + CDS 773..1852 + /codon_start=1 + /label=lacI + /note="lac repressor" + /translation="VKPVTLYDVAEYAGVSYQTVSRVVNQASHVSAKTREKVEAAMAEL + NYIPNRVAQQLAGKQSLLIGVATSSLALHAPSQIVAAIKSRADQLGASVVVSMVERSGV + EACKAAVHNLLAQRVSGLIINYPLDDQDAIAVEAACTNVPALFLDVSDQTPINSIIFSH + EDGTRLGVEHLVALGHQQIALLAGPLSSVSARLRLAGWHKYLTRNQIQPIAEREGDWSA + MSGFQQTMQMLNEGIVPTAMLVANDQMALGAMRAITESGLRVGADISVVGYDDTEDSSC + YIPPLTTIKQDFRLLGQTSVDRLLQLSQGQAVKGNQLLPVSLVKRKTTLAPNTQTASPR + ALADSLMQLARQVSRLESGQ" + protein_bind 1868..1889 + /label=CAP binding site + /note="CAP binding activates transcription in the presence + of cAMP." + CDS 2664..2852 + /codon_start=1 + /label=rop + /note="Rop protein, which maintains plasmids at low copy + number" + /translation="VTKQEKTALNMARFIRSQTLTLLEKLNELDADEQADICESLHDHA + DELYRSCLARFGDDGENL" + misc_feature 2957..3099 + /label=bom + /note="basis of mobility region from pBR322" + rep_origin complement(3285..3873) + /direction=LEFT + /label=ori + /note="high-copy-number ColE1/pMB1/pBR322/pUC origin of + replication" + CDS 3995..4807 + /codon_start=1 + /label=KanR + /note="aminoglycoside phosphotransferase" + /translation="MSHIQRETSCSRPRLNSNMDADLYGYKWARDNVGQSGATIYRLYG + KPDAPELFLKHGKGSVANDVTDEMVRLNWLTEFMPLPTIKHFIRTPDDAWLLTTAIPGK + TAFQVLEEYPDSGENIVDALAVFLRRLHSIPVCNCPFNSDRVFRLAQAQSRMNNGLVDA + SDFDDERNGWPVEQVWKEMHKLLPFSPDSVVTHGDFSLDNLIFDEGKLIGCIDVGRVGI + ADRYQDLAILWNCLGEFSPSLQKRLFQKYGIDNPDMNKLQFHLMLDEFF" + rep_origin complement(4903..5358) + /direction=LEFT + /label=f1 ori + /note="f1 bacteriophage origin of replication; arrow + indicates direction of (+) strand synthesis" +ORIGIN + 1 atccggatat agttcctcct ttcagcaaaa aacccctcaa gacccgttta gaggccccaa + 61 ggggttatgc tagttattgc tcagcggtgg cagcagccaa ctcagcttcc tttcgggctt + 121 tgttagcagc cggatctcag tggtggtggt ggtggtgctc gagtgcggcc gcaagcttgt + 181 cgacggagct cgaattcgga tccgcgaccc atttgctgtc caccagtcat gctagccata + 241 tggctgccgc gcggcaccag gccgctgctg tgatgatgat gatgatggct gctgcccatg + 301 gtatatctcc ttcttaaagt taaacaaaat tatttctaga ggggaattgt tatccgctca + 361 caattcccct atagtgagtc gtattaattt cgcgggatcg agatctcgat cctctacgcc + 421 ggacgcatcg tggccggcat caccggcgcc acaggtgcgg ttgctggcgc ctatatcgcc + 481 gacatcaccg atggggaaga tcgggctcgc cacttcgggc tcatgagcgc ttgtttcggc + 541 gtgggtatgg tggcaggccc cgtggccggg ggactgttgg gcgccatctc cttgcatgca + 601 ccattccttg cggcggcggt gctcaacggc ctcaacctac tactgggctg cttcctaatg + 661 caggagtcgc ataagggaga gcgtcgagat cccggacacc atcgaatggc gcaaaacctt + 721 tcgcggtatg gcatgatagc gcccggaaga gagtcaattc agggtggtga atgtgaaacc + 781 agtaacgtta tacgatgtcg cagagtatgc cggtgtctct tatcagaccg tttcccgcgt + 841 ggtgaaccag gccagccacg tttctgcgaa aacgcgggaa aaagtggaag cggcgatggc + 901 ggagctgaat tacattccca accgcgtggc acaacaactg gcgggcaaac agtcgttgct + 961 gattggcgtt gccacctcca gtctggccct gcacgcgccg tcgcaaattg tcgcggcgat + 1021 taaatctcgc gccgatcaac tgggtgccag cgtggtggtg tcgatggtag aacgaagcgg + 1081 cgtcgaagcc tgtaaagcgg cggtgcacaa tcttctcgcg caacgcgtca gtgggctgat + 1141 cattaactat ccgctggatg accaggatgc cattgctgtg gaagctgcct gcactaatgt + 1201 tccggcgtta tttcttgatg tctctgacca gacacccatc aacagtatta ttttctccca + 1261 tgaagacggt acgcgactgg gcgtggagca tctggtcgca ttgggtcacc agcaaatcgc + 1321 gctgttagcg ggcccattaa gttctgtctc ggcgcgtctg cgtctggctg gctggcataa + 1381 atatctcact cgcaatcaaa ttcagccgat agcggaacgg gaaggcgact ggagtgccat + 1441 gtccggtttt caacaaacca tgcaaatgct gaatgagggc atcgttccca ctgcgatgct + 1501 ggttgccaac gatcagatgg cgctgggcgc aatgcgcgcc attaccgagt ccgggctgcg + 1561 cgttggtgcg gatatctcgg tagtgggata cgacgatacc gaagacagct catgttatat + 1621 cccgccgtta accaccatca aacaggattt tcgcctgctg gggcaaacca gcgtggaccg + 1681 cttgctgcaa ctctctcagg gccaggcggt gaagggcaat cagctgttgc ccgtctcact + 1741 ggtgaaaaga aaaaccaccc tggcgcccaa tacgcaaacc gcctctcccc gcgcgttggc + 1801 cgattcatta atgcagctgg cacgacaggt ttcccgactg gaaagcgggc agtgagcgca + 1861 acgcaattaa tgtaagttag ctcactcatt aggcaccggg atctcgaccg atgcccttga + 1921 gagccttcaa cccagtcagc tccttccggt gggcgcgggg catgactatc gtcgccgcac + 1981 ttatgactgt cttctttatc atgcaactcg taggacaggt gccggcagcg ctctgggtca + 2041 ttttcggcga ggaccgcttt cgctggagcg cgacgatgat cggcctgtcg cttgcggtat + 2101 tcggaatctt gcacgccctc gctcaagcct tcgtcactgg tcccgccacc aaacgtttcg + 2161 gcgagaagca ggccattatc gccggcatgg cggccccacg ggtgcgcatg atcgtgctcc + 2221 tgtcgttgag gacccggcta ggctggcggg gttgccttac tggttagcag aatgaatcac + 2281 cgatacgcga gcgaacgtga agcgactgct gctgcaaaac gtctgcgacc tgagcaacaa + 2341 catgaatggt cttcggtttc cgtgtttcgt aaagtctgga aacgcggaag tcagcgccct + 2401 gcaccattat gttccggatc tgcatcgcag gatgctgctg gctaccctgt ggaacaccta + 2461 catctgtatt aacgaagcgc tggcattgac cctgagtgat ttttctctgg tcccgccgca + 2521 tccataccgc cagttgttta ccctcacaac gttccagtaa ccgggcatgt tcatcatcag + 2581 taacccgtat cgtgagcatc ctctctcgtt tcatcggtat cattaccccc atgaacagaa + 2641 atccccctta cacggaggca tcagtgacca aacaggaaaa aaccgccctt aacatggccc + 2701 gctttatcag aagccagaca ttaacgcttc tggagaaact caacgagctg gacgcggatg + 2761 aacaggcaga catctgtgaa tcgcttcacg accacgctga tgagctttac cgcagctgcc + 2821 tcgcgcgttt cggtgatgac ggtgaaaacc tctgacacat gcagctcccg gagacggtca + 2881 cagcttgtct gtaagcggat gccgggagca gacaagcccg tcagggcgcg tcagcgggtg + 2941 ttggcgggtg tcggggcgca gccatgaccc agtcacgtag cgatagcgga gtgtatactg + 3001 gcttaactat gcggcatcag agcagattgt actgagagtg caccatatat gcggtgtgaa + 3061 ataccgcaca gatgcgtaag gagaaaatac cgcatcaggc gctcttccgc ttcctcgctc + 3121 actgactcgc tgcgctcggt cgttcggctg cggcgagcgg tatcagctca ctcaaaggcg + 3181 gtaatacggt tatccacaga atcaggggat aacgcaggaa agaacatgtg agcaaaaggc + 3241 cagcaaaagg ccaggaaccg taaaaaggcc gcgttgctgg cgtttttcca taggctccgc + 3301 ccccctgacg agcatcacaa aaatcgacgc tcaagtcaga ggtggcgaaa cccgacagga + 3361 ctataaagat accaggcgtt tccccctgga agctccctcg tgcgctctcc tgttccgacc + 3421 ctgccgctta ccggatacct gtccgccttt ctcccttcgg gaagcgtggc gctttctcat + 3481 agctcacgct gtaggtatct cagttcggtg taggtcgttc gctccaagct gggctgtgtg + 3541 cacgaacccc ccgttcagcc cgaccgctgc gccttatccg gtaactatcg tcttgagtcc + 3601 aacccggtaa gacacgactt atcgccactg gcagcagcca ctggtaacag gattagcaga + 3661 gcgaggtatg taggcggtgc tacagagttc ttgaagtggt ggcctaacta cggctacact + 3721 agaaggacag tatttggtat ctgcgctctg ctgaagccag ttaccttcgg aaaaagagtt + 3781 ggtagctctt gatccggcaa acaaaccacc gctggtagcg gtggtttttt tgtttgcaag + 3841 cagcagatta cgcgcagaaa aaaaggatct caagaagatc ctttgatctt ttctacgggg + 3901 tctgacgctc agtggaacga aaactcacgt taagggattt tggtcatgaa caataaaact + 3961 gtctgcttac ataaacagta atacaagggg tgttatgagc catattcaac gggaaacgtc + 4021 ttgctctagg ccgcgattaa attccaacat ggatgctgat ttatatgggt ataaatgggc + 4081 tcgcgataat gtcgggcaat caggtgcgac aatctatcga ttgtatggga agcccgatgc + 4141 gccagagttg tttctgaaac atggcaaagg tagcgttgcc aatgatgtta cagatgagat + 4201 ggtcagacta aactggctga cggaatttat gcctcttccg accatcaagc attttatccg + 4261 tactcctgat gatgcatggt tactcaccac tgcgatcccc gggaaaacag cattccaggt + 4321 attagaagaa tatcctgatt caggtgaaaa tattgttgat gcgctggcag tgttcctgcg + 4381 ccggttgcat tcgattcctg tttgtaattg tccttttaac agcgatcgcg tatttcgtct + 4441 cgctcaggcg caatcacgaa tgaataacgg tttggttgat gcgagtgatt ttgatgacga + 4501 gcgtaatggc tggcctgttg aacaagtctg gaaagaaatg cataaacttt tgccattctc + 4561 accggattca gtcgtcactc atggtgattt ctcacttgat aaccttattt ttgacgaggg + 4621 gaaattaata ggttgtattg atgttggacg agtcggaatc gcagaccgat accaggatct + 4681 tgccatccta tggaactgcc tcggtgagtt ttctccttca ttacagaaac ggctttttca + 4741 aaaatatggt attgataatc ctgatatgaa taaattgcag tttcatttga tgctcgatga + 4801 gtttttctaa gaattaattc atgagcggat acatatttga atgtatttag aaaaataaac + 4861 aaataggggt tccgcgcaca tttccccgaa aagtgccacc tgaaattgta aacgttaata + 4921 ttttgttaaa attcgcgtta aatttttgtt aaatcagctc attttttaac caataggccg + 4981 aaatcggcaa aatcccttat aaatcaaaag aatagaccga gatagggttg agtgttgttc + 5041 cagtttggaa caagagtcca ctattaaaga acgtggactc caacgtcaaa gggcgaaaaa + 5101 ccgtctatca gggcgatggc ccactacgtg aaccatcacc ctaatcaagt tttttggggt + 5161 cgaggtgccg taaagcacta aatcggaacc ctaaagggag cccccgattt agagcttgac + 5221 ggggaaagcc ggcgaacgtg gcgagaaagg aagggaagaa agcgaaagga gcgggcgcta + 5281 gggcgctggc aagtgtagcg gtcacgctgc gcgtaaccac cacacccgcc gcgcttaatg + 5341 cgccgctaca gggcgcgtcc cattcgcca +// diff --git a/data/pdb/4e46.pdb b/data/pdb/4e46.pdb new file mode 100644 index 0000000..9ed58fa --- /dev/null +++ b/data/pdb/4e46.pdb @@ -0,0 +1,5993 @@ +HEADER HYDROLASE 12-MAR-12 4E46 +TITLE STRUCTURE OF RHODOCOCCUS RHODOCHROUS HALOALKANE DEHALOGENASE DHAA IN +TITLE 2 COMPLEX WITH 2-PROPANOL +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: HALOALKANE DEHALOGENASE; +COMPND 3 CHAIN: A; +COMPND 4 EC: 3.8.1.5; +COMPND 5 ENGINEERED: YES +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: RHODOCOCCUS RHODOCHROUS; +SOURCE 3 ORGANISM_TAXID: 1829; +SOURCE 4 STRAIN: NCIB 13064; +SOURCE 5 GENE: DHAA; +SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; +SOURCE 7 EXPRESSION_SYSTEM_TAXID: 511693; +SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21; +SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; +SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PAQN +KEYWDS CATALYTIC PENTAD, ALPHA/BETA HYDROLASE FOLD, HALIDE BINDING, +KEYWDS 2 HYDROLYTIC DEHALOGENATION, HYDROLASE +EXPDTA X-RAY DIFFRACTION +AUTHOR A.STSIAPANAVA,R.CHALOUPKOVA,J.DAMBORSKY,I.KUTA SMATANOVA +REVDAT 4 13-SEP-23 4E46 1 REMARK SEQADV +REVDAT 3 15-NOV-17 4E46 1 REMARK +REVDAT 2 14-JAN-15 4E46 1 JRNL +REVDAT 1 13-MAR-13 4E46 0 +JRNL AUTH V.STEPANKOVA,M.KHABIRI,J.BREZOVSKY,A.PAVELKA,J.SYKORA, +JRNL AUTH 2 M.AMARO,B.MINOFAR,Z.PROKOP,M.HOF,R.ETTRICH,R.CHALOUPKOVA, +JRNL AUTH 3 J.DAMBORSKY +JRNL TITL EXPANSION OF ACCESS TUNNELS AND ACTIVE-SITE CAVITIES +JRNL TITL 2 INFLUENCE ACTIVITY OF HALOALKANE DEHALOGENASES IN ORGANIC +JRNL TITL 3 COSOLVENTS. +JRNL REF CHEMBIOCHEM V. 14 890 2013 +JRNL REFN ISSN 1439-4227 +JRNL PMID 23564727 +JRNL DOI 10.1002/CBIC.201200733 +REMARK 2 +REMARK 2 RESOLUTION. 1.26 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : SHELXL-97 +REMARK 3 AUTHORS : G.M.SHELDRICK +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.26 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 10.00 +REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 +REMARK 3 COMPLETENESS FOR RANGE (%) : 94.2 +REMARK 3 CROSS-VALIDATION METHOD : NULL +REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT (NO CUTOFF). +REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : 0.113 +REMARK 3 R VALUE (WORKING SET, NO CUTOFF) : 0.113 +REMARK 3 FREE R VALUE (NO CUTOFF) : NULL +REMARK 3 FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : NULL +REMARK 3 FREE R VALUE TEST SET COUNT (NO CUTOFF) : NULL +REMARK 3 TOTAL NUMBER OF REFLECTIONS (NO CUTOFF) : 69524 +REMARK 3 +REMARK 3 FIT/AGREEMENT OF MODEL FOR DATA WITH F>4SIG(F). +REMARK 3 R VALUE (WORKING + TEST SET, F>4SIG(F)) : 0.106 +REMARK 3 R VALUE (WORKING SET, F>4SIG(F)) : NULL +REMARK 3 FREE R VALUE (F>4SIG(F)) : NULL +REMARK 3 FREE R VALUE TEST SET SIZE (%, F>4SIG(F)) : NULL +REMARK 3 FREE R VALUE TEST SET COUNT (F>4SIG(F)) : NULL +REMARK 3 TOTAL NUMBER OF REFLECTIONS (F>4SIG(F)) : 62755 +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 2359 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 13 +REMARK 3 SOLVENT ATOMS : 542 +REMARK 3 +REMARK 3 MODEL REFINEMENT. +REMARK 3 OCCUPANCY SUM OF NON-HYDROGEN ATOMS : 2902.4 +REMARK 3 OCCUPANCY SUM OF HYDROGEN ATOMS : 2134.0 +REMARK 3 NUMBER OF DISCRETELY DISORDERED RESIDUES : 49 +REMARK 3 NUMBER OF LEAST-SQUARES PARAMETERS : 24815 +REMARK 3 NUMBER OF RESTRAINTS : 30840 +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM RESTRAINT TARGET VALUES. +REMARK 3 BOND LENGTHS (A) : 0.012 +REMARK 3 ANGLE DISTANCES (A) : 0.027 +REMARK 3 SIMILAR DISTANCES (NO TARGET VALUES) (A) : 0.000 +REMARK 3 DISTANCES FROM RESTRAINT PLANES (A) : 0.027 +REMARK 3 ZERO CHIRAL VOLUMES (A**3) : 0.083 +REMARK 3 NON-ZERO CHIRAL VOLUMES (A**3) : 0.076 +REMARK 3 ANTI-BUMPING DISTANCE RESTRAINTS (A) : 0.027 +REMARK 3 RIGID-BOND ADP COMPONENTS (A**2) : 0.004 +REMARK 3 SIMILAR ADP COMPONENTS (A**2) : 0.033 +REMARK 3 APPROXIMATELY ISOTROPIC ADPS (A**2) : 0.000 +REMARK 3 +REMARK 3 BULK SOLVENT MODELING. +REMARK 3 METHOD USED: NULL +REMARK 3 +REMARK 3 STEREOCHEMISTRY TARGET VALUES : ENGH AND HUBER +REMARK 3 SPECIAL CASE: NULL +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: STRUCTURE SOLUTION AND REFINEMENT WERE +REMARK 3 PERFORMED USING FREE R FOR CROSS-VALIDATION THROUGHOUT: FREE R = +REMARK 3 0.150 FROM A RANDOM TEST SET COMPRISING 5% OF REFLECTIONS (3476 +REMARK 3 TOTAL). FINAL REFINEMENT WAS PERFORMED USING ALL REFLECTIONS. +REMARK 4 +REMARK 4 4E46 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 15-MAR-12. +REMARK 100 THE DEPOSITION ID IS D_1000071146. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : 25-MAR-09 +REMARK 200 TEMPERATURE (KELVIN) : 100 +REMARK 200 PH : NULL +REMARK 200 NUMBER OF CRYSTALS USED : 1 +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : Y +REMARK 200 RADIATION SOURCE : EMBL/DESY, HAMBURG +REMARK 200 BEAMLINE : X12 +REMARK 200 X-RAY GENERATOR MODEL : NULL +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 1.033 +REMARK 200 MONOCHROMATOR : DOUBLE CRYSTAL SI(111), +REMARK 200 HORIZONTALLY FOCUSING +REMARK 200 OPTICS : NULL +REMARK 200 +REMARK 200 DETECTOR TYPE : CCD +REMARK 200 DETECTOR MANUFACTURER : MARMOSAIC 225 MM CCD +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 +REMARK 200 DATA SCALING SOFTWARE : HKL-2000 +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 65492 +REMARK 200 RESOLUTION RANGE HIGH (A) : 1.260 +REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 94.3 +REMARK 200 DATA REDUNDANCY : 2.400 +REMARK 200 R MERGE (I) : 0.03700 +REMARK 200 R SYM (I) : NULL +REMARK 200 FOR THE DATA SET : 29.9000 +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.26 +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.31 +REMARK 200 COMPLETENESS FOR SHELL (%) : 90.2 +REMARK 200 DATA REDUNDANCY IN SHELL : 2.10 +REMARK 200 R MERGE FOR SHELL (I) : 0.11300 +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 FOR SHELL : 6.800 +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT +REMARK 200 SOFTWARE USED: MOLREP +REMARK 200 STARTING MODEL: PDB ENTRY 3FBW +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 41.34 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.10 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: 100 MM SODIUM ACETATE, 24% PEG4000, +REMARK 280 11% 2-PROPANOL, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 277K +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 465 +REMARK 465 MISSING RESIDUES +REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE +REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) +REMARK 465 +REMARK 465 M RES C SSSEQI +REMARK 465 MET A 1 +REMARK 465 SER A 2 +REMARK 465 GLU A 3 +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS +REMARK 500 +REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES +REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE +REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) +REMARK 500 +REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 +REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 +REMARK 500 +REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION +REMARK 500 HIS A 296 C HIS A 296 O 0.214 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: COVALENT BOND ANGLES +REMARK 500 +REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES +REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE +REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) +REMARK 500 +REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 +REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 +REMARK 500 +REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 +REMARK 500 ARG A 30 NE - CZ - NH2 ANGL. DEV. = -5.1 DEGREES +REMARK 500 ARG A 86 CD - NE - CZ ANGL. DEV. = 10.6 DEGREES +REMARK 500 ARG A 86 NE - CZ - NH1 ANGL. DEV. = -4.5 DEGREES +REMARK 500 ARG A 133 NE - CZ - NH1 ANGL. DEV. = -3.3 DEGREES +REMARK 500 GLU A 183 CB - CG - CD ANGL. DEV. = 19.9 DEGREES +REMARK 500 ARG A 190 NE - CZ - NH2 ANGL. DEV. = -3.2 DEGREES +REMARK 500 TYR A 225 CA - CB - CG ANGL. DEV. = 11.9 DEGREES +REMARK 500 TYR A 225 CB - CG - CD1 ANGL. DEV. = 3.9 DEGREES +REMARK 500 ARG A 288 NE - CZ - NH1 ANGL. DEV. = -3.5 DEGREES +REMARK 500 ARG A 288 NE - CZ - NH1 ANGL. DEV. = -3.8 DEGREES +REMARK 500 ARG A 288 NE - CZ - NH2 ANGL. DEV. = 3.4 DEGREES +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 PRO A 42 48.00 -104.46 +REMARK 500 THR A 43 -159.73 -101.86 +REMARK 500 GLU A 98 -94.94 -110.13 +REMARK 500 ASP A 106 -125.36 53.02 +REMARK 500 ARG A 153 47.14 -87.48 +REMARK 500 ASP A 156 -72.68 -104.21 +REMARK 500 VAL A 245 -78.59 -133.30 +REMARK 500 LEU A 271 -97.74 -117.14 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 800 +REMARK 800 SITE +REMARK 800 SITE_IDENTIFIER: AC1 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE IPA A 1001 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC2 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ACT A 1002 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC3 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ACT A 1003 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC4 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL A 1004 +REMARK 900 +REMARK 900 RELATED ENTRIES +REMARK 900 RELATED ID: 3FBW RELATED DB: PDB +REMARK 900 HALOALKANE DEHALOGENASE DHAA MUTANT C176Y +REMARK 900 RELATED ID: 3FWH RELATED DB: PDB +REMARK 900 HALOALKANE DEHALOGENASE DHAA MUTANT C176Y,I135F +REMARK 900 RELATED ID: 3G9X RELATED DB: PDB +REMARK 900 HALOALKANE DEHALOGENASE DHAA MUTANT I135F +REMARK 900 RELATED ID: 1BN6 RELATED DB: PDB +REMARK 900 HALOALKANE DEHALOGENASE DHAA +REMARK 900 RELATED ID: 1CQW RELATED DB: PDB +REMARK 900 HALOALKANE DEHALOGENASE DHAA WITH IODIDE ION +DBREF 4E46 A 1 293 UNP P0A3G2 DHAA_RHORH 1 293 +SEQADV 4E46 HIS A 294 UNP P0A3G2 EXPRESSION TAG +SEQADV 4E46 HIS A 295 UNP P0A3G2 EXPRESSION TAG +SEQADV 4E46 HIS A 296 UNP P0A3G2 EXPRESSION TAG +SEQRES 1 A 296 MET SER GLU ILE GLY THR GLY PHE PRO PHE ASP PRO HIS +SEQRES 2 A 296 TYR VAL GLU VAL LEU GLY GLU ARG MET HIS TYR VAL ASP +SEQRES 3 A 296 VAL GLY PRO ARG ASP GLY THR PRO VAL LEU PHE LEU HIS +SEQRES 4 A 296 GLY ASN PRO THR SER SER TYR LEU TRP ARG ASN ILE ILE +SEQRES 5 A 296 PRO HIS VAL ALA PRO SER HIS ARG CYS ILE ALA PRO ASP +SEQRES 6 A 296 LEU ILE GLY MET GLY LYS SER ASP LYS PRO ASP LEU ASP +SEQRES 7 A 296 TYR PHE PHE ASP ASP HIS VAL ARG TYR LEU ASP ALA PHE +SEQRES 8 A 296 ILE GLU ALA LEU GLY LEU GLU GLU VAL VAL LEU VAL ILE +SEQRES 9 A 296 HIS ASP TRP GLY SER ALA LEU GLY PHE HIS TRP ALA LYS +SEQRES 10 A 296 ARG ASN PRO GLU ARG VAL LYS GLY ILE ALA CYS MET GLU +SEQRES 11 A 296 PHE ILE ARG PRO ILE PRO THR TRP ASP GLU TRP PRO GLU +SEQRES 12 A 296 PHE ALA ARG GLU THR PHE GLN ALA PHE ARG THR ALA ASP +SEQRES 13 A 296 VAL GLY ARG GLU LEU ILE ILE ASP GLN ASN ALA PHE ILE +SEQRES 14 A 296 GLU GLY ALA LEU PRO LYS CYS VAL VAL ARG PRO LEU THR +SEQRES 15 A 296 GLU VAL GLU MET ASP HIS TYR ARG GLU PRO PHE LEU LYS +SEQRES 16 A 296 PRO VAL ASP ARG GLU PRO LEU TRP ARG PHE PRO ASN GLU +SEQRES 17 A 296 LEU PRO ILE ALA GLY GLU PRO ALA ASN ILE VAL ALA LEU +SEQRES 18 A 296 VAL GLU ALA TYR MET ASN TRP LEU HIS GLN SER PRO VAL +SEQRES 19 A 296 PRO LYS LEU LEU PHE TRP GLY THR PRO GLY VAL LEU ILE +SEQRES 20 A 296 PRO PRO ALA GLU ALA ALA ARG LEU ALA GLU SER LEU PRO +SEQRES 21 A 296 ASN CYS LYS THR VAL ASP ILE GLY PRO GLY LEU HIS TYR +SEQRES 22 A 296 LEU GLN GLU ASP ASN PRO ASP LEU ILE GLY SER GLU ILE +SEQRES 23 A 296 ALA ARG TRP LEU PRO ALA LEU HIS HIS HIS +HET IPA A1001 4 +HET ACT A1002 4 +HET ACT A1003 4 +HET CL A1004 1 +HETNAM IPA ISOPROPYL ALCOHOL +HETNAM ACT ACETATE ION +HETNAM CL CHLORIDE ION +HETSYN IPA 2-PROPANOL +FORMUL 2 IPA C3 H8 O +FORMUL 3 ACT 2(C2 H3 O2 1-) +FORMUL 5 CL CL 1- +FORMUL 6 HOH *542(H2 O) +HELIX 1 1 SER A 44 ARG A 49 5 6 +HELIX 2 2 ILE A 51 ALA A 56 1 6 +HELIX 3 3 PHE A 80 LEU A 95 1 16 +HELIX 4 4 ASP A 106 ASN A 119 1 14 +HELIX 5 5 THR A 137 TRP A 141 5 5 +HELIX 6 6 PRO A 142 PHE A 144 5 3 +HELIX 7 7 ALA A 145 ARG A 153 1 9 +HELIX 8 8 ASP A 156 ILE A 163 1 8 +HELIX 9 9 ASN A 166 GLY A 171 1 6 +HELIX 10 10 GLY A 171 CYS A 176 1 6 +HELIX 11 11 THR A 182 GLU A 191 1 10 +HELIX 12 12 PRO A 192 LEU A 194 5 3 +HELIX 13 13 LYS A 195 ASP A 198 5 4 +HELIX 14 14 ARG A 199 LEU A 209 1 11 +HELIX 15 15 PRO A 215 SER A 232 1 18 +HELIX 16 16 PRO A 248 LEU A 259 1 12 +HELIX 17 17 TYR A 273 ASN A 278 1 6 +HELIX 18 18 ASN A 278 LEU A 290 1 13 +HELIX 19 19 PRO A 291 HIS A 294 5 4 +SHEET 1 A 8 HIS A 13 VAL A 17 0 +SHEET 2 A 8 GLU A 20 VAL A 27 -1 O GLU A 20 N VAL A 17 +SHEET 3 A 8 CYS A 61 PRO A 64 -1 O CYS A 61 N VAL A 27 +SHEET 4 A 8 VAL A 35 LEU A 38 1 N VAL A 35 O ILE A 62 +SHEET 5 A 8 VAL A 100 HIS A 105 1 O VAL A 101 N LEU A 36 +SHEET 6 A 8 VAL A 123 MET A 129 1 O ALA A 127 N LEU A 102 +SHEET 7 A 8 LYS A 236 PRO A 243 1 O LEU A 237 N CYS A 128 +SHEET 8 A 8 CYS A 262 GLY A 270 1 O ILE A 267 N TRP A 240 +CISPEP 1 ASN A 41 PRO A 42 0 -5.95 +CISPEP 2 GLU A 214 PRO A 215 0 -8.46 +CISPEP 3 GLU A 214 PRO A 215 0 -1.72 +CISPEP 4 THR A 242 PRO A 243 0 4.39 +SITE 1 AC1 5 ASN A 41 ASP A 106 HIS A 272 TYR A 273 +SITE 2 AC1 5 CL A1004 +SITE 1 AC2 7 THR A 33 HIS A 59 LYS A 124 LEU A 290 +SITE 2 AC2 7 HIS A 294 HOH A2052 HOH A2165 +SITE 1 AC3 7 PRO A 12 GLN A 231 PRO A 233 HOH A2095 +SITE 2 AC3 7 HOH A2126 HOH A2202 HOH A2206 +SITE 1 AC4 4 ASN A 41 TRP A 107 PRO A 206 IPA A1001 +CRYST1 42.646 44.480 46.334 115.39 98.05 109.40 P 1 1 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.023449 0.008258 0.008735 0.00000 +SCALE2 0.000000 0.023835 0.014092 0.00000 +SCALE3 0.000000 0.000000 0.025322 0.00000 +ATOM 1 N ILE A 4 14.139 14.628 -4.648 1.00 14.98 N +ANISOU 1 N ILE A 4 922 1615 3156 -16 163 196 N +ATOM 2 CA ILE A 4 12.885 13.839 -4.674 1.00 10.31 C +ANISOU 2 CA ILE A 4 1009 1187 1722 77 84 34 C +ATOM 3 C ILE A 4 11.710 14.806 -4.734 1.00 7.68 C +ANISOU 3 C ILE A 4 800 919 1198 -192 306 38 C +ATOM 4 O ILE A 4 11.567 15.722 -3.931 1.00 8.59 O +ANISOU 4 O ILE A 4 1112 1119 1033 -166 256 -80 O +ATOM 5 CB ILE A 4 12.796 12.905 -3.468 1.00 9.55 C +ANISOU 5 CB ILE A 4 717 1254 1656 145 -59 -67 C +ATOM 6 CG1 ILE A 4 13.836 11.791 -3.524 1.00 9.75 C +ANISOU 6 CG1 ILE A 4 1016 915 1773 80 107 -81 C +ATOM 7 CG2 ILE A 4 11.399 12.301 -3.375 1.00 9.86 C +ANISOU 7 CG2 ILE A 4 890 1468 1388 -118 18 -84 C +ATOM 8 CD1 ILE A 4 14.024 10.929 -2.326 1.00 11.66 C +ANISOU 8 CD1 ILE A 4 1264 1094 2073 -9 -269 147 C +ATOM 9 N GLY A 5 10.864 14.590 -5.738 1.00 8.01 N +ANISOU 9 N GLY A 5 805 817 1420 -70 210 -270 N +ATOM 10 CA GLY A 5 9.820 15.590 -5.981 1.00 8.14 C +ANISOU 10 CA GLY A 5 1030 1021 1040 73 257 9 C +ATOM 11 C GLY A 5 8.723 15.605 -4.921 1.00 6.47 C +ANISOU 11 C GLY A 5 758 544 1158 -107 161 -83 C +ATOM 12 O GLY A 5 8.342 14.571 -4.381 1.00 7.66 O +ANISOU 12 O GLY A 5 1120 645 1147 -217 72 45 O +ATOM 13 N THR A 6 8.204 16.785 -4.607 1.00 7.39 N +ANISOU 13 N THR A 6 1043 645 1120 1 357 10 N +ATOM 14 CA THR A 6 7.158 16.944 -3.621 1.00 6.17 C +ANISOU 14 CA THR A 6 855 512 975 -66 260 116 C +ATOM 15 C THR A 6 5.803 17.210 -4.237 1.00 7.14 C +ANISOU 15 C THR A 6 962 466 1286 -46 159 97 C +ATOM 16 O THR A 6 4.796 17.187 -3.502 1.00 8.29 O +ANISOU 16 O THR A 6 873 663 1613 96 281 44 O +ATOM 17 CB THR A 6 7.520 18.084 -2.641 1.00 7.53 C +ANISOU 17 CB THR A 6 1036 616 1207 200 170 -130 C +ATOM 18 OG1 THR A 6 7.555 19.314 -3.346 1.00 8.87 O +ANISOU 18 OG1 THR A 6 1198 609 1565 -129 41 13 O +ATOM 19 CG2 THR A 6 8.902 17.850 -2.025 1.00 7.52 C +ANISOU 19 CG2 THR A 6 949 561 1348 32 203 -277 C +ATOM 20 N GLY A 7 5.754 17.551 -5.503 1.00 7.40 N +ANISOU 20 N GLY A 7 810 592 1408 3 13 131 N +ATOM 21 CA GLY A 7 4.484 17.869 -6.120 1.00 8.89 C +ANISOU 21 CA GLY A 7 979 613 1785 -113 -282 132 C +ATOM 22 C GLY A 7 3.709 16.628 -6.524 1.00 7.74 C +ANISOU 22 C GLY A 7 828 618 1494 -133 73 43 C +ATOM 23 O GLY A 7 4.170 15.489 -6.555 1.00 7.66 O +ANISOU 23 O GLY A 7 943 668 1301 25 -37 125 O +ATOM 24 N PHE A 8 2.446 16.855 -6.886 1.00 7.01 N +ANISOU 24 N PHE A 8 844 441 1378 -68 10 68 N +ATOM 25 CA PHE A 8 1.514 15.827 -7.320 1.00 6.52 C +ANISOU 25 CA PHE A 8 697 565 1213 42 35 66 C +ATOM 26 C PHE A 8 0.847 16.299 -8.612 1.00 6.22 C +ANISOU 26 C PHE A 8 610 571 1182 -53 137 107 C +ATOM 27 O PHE A 8 -0.299 16.750 -8.585 1.00 7.20 O +ANISOU 27 O PHE A 8 642 798 1296 104 32 225 O +ATOM 28 CB PHE A 8 0.470 15.554 -6.216 1.00 6.63 C +ANISOU 28 CB PHE A 8 830 621 1067 -16 43 46 C +ATOM 29 CG PHE A 8 -0.303 14.279 -6.465 1.00 6.19 C +ANISOU 29 CG PHE A 8 770 538 1045 62 113 -29 C +ATOM 30 CD1 PHE A 8 0.304 13.040 -6.298 1.00 6.00 C +ANISOU 30 CD1 PHE A 8 917 587 773 64 11 162 C +ATOM 31 CD2 PHE A 8 -1.639 14.310 -6.882 1.00 6.98 C +ANISOU 31 CD2 PHE A 8 754 714 1186 92 122 -156 C +ATOM 32 CE1 PHE A 8 -0.427 11.867 -6.527 1.00 6.34 C +ANISOU 32 CE1 PHE A 8 972 556 880 52 266 67 C +ATOM 33 CE2 PHE A 8 -2.335 13.164 -7.093 1.00 7.12 C +ANISOU 33 CE2 PHE A 8 850 866 990 -50 -44 47 C +ATOM 34 CZ PHE A 8 -1.745 11.934 -6.941 1.00 7.13 C +ANISOU 34 CZ PHE A 8 1134 715 859 -65 -63 -7 C +ATOM 35 N PRO A 9 1.580 16.195 -9.722 1.00 6.62 N +ANISOU 35 N PRO A 9 737 546 1232 12 177 148 N +ATOM 36 CA PRO A 9 1.094 16.754 -10.990 1.00 7.85 C +ANISOU 36 CA PRO A 9 974 757 1252 -7 138 244 C +ATOM 37 C PRO A 9 0.255 15.744 -11.751 1.00 8.35 C +ANISOU 37 C PRO A 9 1422 735 1017 -176 138 291 C +ATOM 38 O PRO A 9 0.579 15.377 -12.892 1.00 12.04 O +ANISOU 38 O PRO A 9 2075 1427 1071 -258 312 102 O +ATOM 39 CB PRO A 9 2.412 17.074 -11.726 1.00 9.89 C +ANISOU 39 CB PRO A 9 1217 1193 1346 -155 221 327 C +ATOM 40 CG PRO A 9 3.275 15.911 -11.309 1.00 10.26 C +ANISOU 40 CG PRO A 9 1120 1327 1452 183 360 -157 C +ATOM 41 CD PRO A 9 2.951 15.694 -9.839 1.00 8.13 C +ANISOU 41 CD PRO A 9 745 805 1538 71 294 195 C +ATOM 42 N PHE A 10 -0.817 15.293 -11.114 1.00 6.77 N +ANISOU 42 N PHE A 10 998 515 1062 95 27 124 N +ATOM 43 CA PHE A 10 -1.734 14.333 -11.689 1.00 6.98 C +ANISOU 43 CA PHE A 10 932 610 1111 149 5 90 C +ATOM 44 C PHE A 10 -3.160 14.848 -11.605 1.00 7.00 C +ANISOU 44 C PHE A 10 955 575 1130 94 28 -10 C +ATOM 45 O PHE A 10 -3.636 15.168 -10.517 1.00 8.31 O +ANISOU 45 O PHE A 10 1108 829 1220 230 84 -183 O +ATOM 46 CB PHE A 10 -1.657 12.952 -11.032 1.00 6.79 C +ANISOU 46 CB PHE A 10 933 532 1115 25 -5 28 C +ATOM 47 CG PHE A 10 -0.241 12.414 -11.106 1.00 6.41 C +ANISOU 47 CG PHE A 10 994 532 908 102 88 153 C +ATOM 48 CD1 PHE A 10 0.236 11.828 -12.251 1.00 7.43 C +ANISOU 48 CD1 PHE A 10 1150 903 769 158 38 121 C +ATOM 49 CD2 PHE A 10 0.634 12.515 -10.029 1.00 7.07 C +ANISOU 49 CD2 PHE A 10 1058 834 794 161 85 88 C +ATOM 50 CE1 PHE A 10 1.522 11.351 -12.415 1.00 8.28 C +ANISOU 50 CE1 PHE A 10 1339 593 1215 280 158 -106 C +ATOM 51 CE2 PHE A 10 1.903 12.015 -10.161 1.00 8.24 C +ANISOU 51 CE2 PHE A 10 1270 659 1202 424 -178 43 C +ATOM 52 CZ PHE A 10 2.361 11.436 -11.325 1.00 8.55 C +ANISOU 52 CZ PHE A 10 1153 626 1470 384 40 -43 C +ATOM 53 N ASP A 11 -3.853 14.871 -12.731 1.00 6.79 N +ANISOU 53 N ASP A 11 789 701 1088 43 116 -11 N +ATOM 54 CA ASP A 11 -5.242 15.309 -12.744 1.00 6.93 C +ANISOU 54 CA ASP A 11 824 539 1269 169 182 -28 C +ATOM 55 C ASP A 11 -6.118 14.332 -11.982 1.00 6.80 C +ANISOU 55 C ASP A 11 869 623 1091 50 194 -153 C +ATOM 56 O ASP A 11 -5.921 13.120 -12.050 1.00 7.32 O +ANISOU 56 O ASP A 11 919 562 1299 40 277 -137 O +ATOM 57 CB ASP A 11 -5.784 15.419 -14.159 1.00 8.33 C +ANISOU 57 CB ASP A 11 1058 798 1308 235 19 105 C +ATOM 58 CG ASP A 11 -5.107 16.434 -15.047 1.00 10.19 C +ANISOU 58 CG ASP A 11 1464 1039 1369 102 22 235 C +ATOM 59 OD1 ASP A 11 -4.519 17.359 -14.496 1.00 10.67 O +ANISOU 59 OD1 ASP A 11 1554 1092 1410 -72 56 354 O +ATOM 60 OD2 ASP A 11 -5.190 16.292 -16.300 1.00 15.18 O +ANISOU 60 OD2 ASP A 11 2691 1751 1326 -341 17 253 O +ATOM 61 N PRO A 12 -7.095 14.826 -11.266 1.00 6.00 N +ANISOU 61 N PRO A 12 873 469 937 210 87 52 N +ATOM 62 CA PRO A 12 -7.999 13.927 -10.529 1.00 6.40 C +ANISOU 62 CA PRO A 12 824 533 1075 146 188 -49 C +ATOM 63 C PRO A 12 -8.988 13.209 -11.429 1.00 7.13 C +ANISOU 63 C PRO A 12 906 530 1273 182 -4 -26 C +ATOM 64 O PRO A 12 -9.580 13.808 -12.356 1.00 10.95 O +ANISOU 64 O PRO A 12 1512 687 1963 107 -654 242 O +ATOM 65 CB PRO A 12 -8.704 14.855 -9.550 1.00 8.29 C +ANISOU 65 CB PRO A 12 1090 839 1222 119 318 -232 C +ATOM 66 CG PRO A 12 -8.710 16.200 -10.234 1.00 9.52 C +ANISOU 66 CG PRO A 12 1449 684 1484 350 423 -280 C +ATOM 67 CD PRO A 12 -7.421 16.248 -11.004 1.00 7.45 C +ANISOU 67 CD PRO A 12 1083 496 1252 198 60 -77 C +ATOM 68 N HIS A 13 -9.179 11.930 -11.166 1.00 5.75 N +ANISOU 68 N HIS A 13 675 652 858 15 181 80 N +ATOM 69 CA HIS A 13 -10.270 11.139 -11.747 1.00 5.88 C +ANISOU 69 CA HIS A 13 603 671 960 111 44 82 C +ATOM 70 C HIS A 13 -11.098 10.579 -10.595 1.00 5.67 C +ANISOU 70 C HIS A 13 608 507 1040 74 65 -67 C +ATOM 71 O HIS A 13 -10.558 10.251 -9.565 1.00 6.40 O +ANISOU 71 O HIS A 13 728 768 936 111 131 24 O +ATOM 72 CB HIS A 13 -9.755 10.017 -12.664 1.00 6.96 C +ANISOU 72 CB HIS A 13 1137 660 847 98 101 74 C +ATOM 73 CG HIS A 13 -8.870 10.557 -13.739 1.00 7.41 C +ANISOU 73 CG HIS A 13 1081 782 952 17 186 -40 C +ATOM 74 ND1 HIS A 13 -7.512 10.798 -13.722 1.00 9.60 N +ANISOU 74 ND1 HIS A 13 1153 1171 1322 14 246 30 N +ATOM 75 CD2 HIS A 13 -9.317 10.935 -14.971 1.00 11.82 C +ANISOU 75 CD2 HIS A 13 1250 2410 831 -73 287 308 C +ATOM 76 CE1 HIS A 13 -7.159 11.320 -14.903 1.00 8.97 C +ANISOU 76 CE1 HIS A 13 1227 887 1295 27 441 -2 C +ATOM 77 NE2 HIS A 13 -8.230 11.378 -15.642 1.00 15.91 N +ANISOU 77 NE2 HIS A 13 1653 3089 1305 -438 308 658 N +ATOM 78 N TYR A 14 -12.387 10.435 -10.832 1.00 7.58 N +ANISOU 78 N TYR A 14 594 1018 1268 31 117 178 N +ATOM 79 CA ATYR A 14 -13.275 9.881 -9.818 0.60 7.78 C +ANISOU 79 CA ATYR A 14 809 858 1291 -104 242 3 C +ATOM 80 CA BTYR A 14 -13.331 9.922 -9.884 0.40 6.46 C +ANISOU 80 CA BTYR A 14 605 598 1253 194 178 91 C +ATOM 81 C TYR A 14 -14.226 8.860 -10.468 1.00 6.95 C +ANISOU 81 C TYR A 14 563 1018 1058 35 226 10 C +ATOM 82 O TYR A 14 -14.660 8.969 -11.610 1.00 9.17 O +ANISOU 82 O TYR A 14 840 1332 1312 35 -145 275 O +ATOM 83 CB ATYR A 14 -14.023 11.004 -9.079 0.60 10.03 C +ANISOU 83 CB ATYR A 14 781 1499 1530 -44 150 -511 C +ATOM 84 CB BTYR A 14 -14.307 11.040 -9.459 0.40 7.67 C +ANISOU 84 CB BTYR A 14 354 1096 1466 468 -250 -103 C +ATOM 85 CG ATYR A 14 -13.255 11.996 -8.229 0.60 7.37 C +ANISOU 85 CG ATYR A 14 585 796 1419 310 -224 -46 C +ATOM 86 CG BTYR A 14 -13.535 12.233 -8.957 0.40 6.62 C +ANISOU 86 CG BTYR A 14 285 871 1360 662 -28 -202 C +ATOM 87 CD1ATYR A 14 -12.971 11.779 -6.888 0.60 9.67 C +ANISOU 87 CD1ATYR A 14 1493 760 1421 341 -277 -37 C +ATOM 88 CD1BTYR A 14 -12.916 12.150 -7.723 0.40 6.55 C +ANISOU 88 CD1BTYR A 14 340 736 1414 657 -110 -281 C +ATOM 89 CD2ATYR A 14 -12.824 13.210 -8.751 0.60 8.00 C +ANISOU 89 CD2ATYR A 14 927 712 1400 511 38 -101 C +ATOM 90 CD2BTYR A 14 -13.426 13.392 -9.705 0.40 8.91 C +ANISOU 90 CD2BTYR A 14 1030 671 1685 837 -362 -207 C +ATOM 91 CE1ATYR A 14 -12.272 12.708 -6.128 0.60 8.77 C +ANISOU 91 CE1ATYR A 14 1046 1118 1168 327 -117 -58 C +ATOM 92 CE1BTYR A 14 -12.197 13.221 -7.235 0.40 9.92 C +ANISOU 92 CE1BTYR A 14 1045 1093 1633 188 -227 -272 C +ATOM 93 CE2ATYR A 14 -12.128 14.147 -8.022 0.60 8.66 C +ANISOU 93 CE2ATYR A 14 1036 775 1481 102 327 -39 C +ATOM 94 CE2BTYR A 14 -12.716 14.465 -9.219 0.40 11.04 C +ANISOU 94 CE2BTYR A 14 1487 894 1813 390 -193 -204 C +ATOM 95 CZ ATYR A 14 -11.857 13.900 -6.697 0.60 8.84 C +ANISOU 95 CZ ATYR A 14 866 919 1573 363 45 -263 C +ATOM 96 CZ BTYR A 14 -12.106 14.368 -7.988 0.40 9.15 C +ANISOU 96 CZ BTYR A 14 946 1114 1419 37 300 -366 C +ATOM 97 OH ATYR A 14 -11.160 14.824 -5.954 0.60 12.62 O +ANISOU 97 OH ATYR A 14 1415 1334 2045 113 -106 -522 O +ATOM 98 OH BTYR A 14 -11.406 15.450 -7.519 0.40 11.27 O +ANISOU 98 OH BTYR A 14 1066 1036 2179 178 133 -621 O +ATOM 99 N VAL A 15 -14.533 7.859 -9.646 1.00 7.32 N +ANISOU 99 N VAL A 15 763 863 1156 -71 198 1 N +ATOM 100 CA VAL A 15 -15.546 6.903 -10.042 1.00 6.96 C +ANISOU 100 CA VAL A 15 713 945 984 31 59 45 C +ATOM 101 C VAL A 15 -16.400 6.661 -8.795 1.00 6.94 C +ANISOU 101 C VAL A 15 819 785 1034 -182 73 42 C +ATOM 102 O VAL A 15 -15.912 6.544 -7.665 1.00 7.95 O +ANISOU 102 O VAL A 15 849 1247 925 -218 78 -180 O +ATOM 103 CB VAL A 15 -14.891 5.639 -10.621 1.00 8.87 C +ANISOU 103 CB VAL A 15 1107 929 1334 69 92 -97 C +ATOM 104 CG1 VAL A 15 -14.024 4.923 -9.580 1.00 9.51 C +ANISOU 104 CG1 VAL A 15 886 1072 1654 267 129 -59 C +ATOM 105 CG2 VAL A 15 -15.952 4.720 -11.154 1.00 13.60 C +ANISOU 105 CG2 VAL A 15 1280 1327 2561 210 -414 -692 C +ATOM 106 N GLU A 16 -17.692 6.536 -9.010 1.00 7.77 N +ANISOU 106 N GLU A 16 767 1175 1011 218 87 186 N +ATOM 107 CA AGLU A 16 -18.706 6.238 -8.018 0.50 7.94 C +ANISOU 107 CA AGLU A 16 736 1039 1242 71 138 169 C +ATOM 108 CA BGLU A 16 -18.565 6.229 -7.892 0.50 7.53 C +ANISOU 108 CA BGLU A 16 688 1083 1090 -8 10 189 C +ATOM 109 C GLU A 16 -18.828 4.725 -7.799 1.00 7.03 C +ANISOU 109 C GLU A 16 666 981 1022 262 214 -25 C +ATOM 110 O GLU A 16 -19.283 4.035 -8.716 1.00 9.83 O +ANISOU 110 O GLU A 16 1269 1381 1084 -427 -3 45 O +ATOM 111 CB AGLU A 16 -20.079 6.787 -8.446 0.50 9.76 C +ANISOU 111 CB AGLU A 16 909 1116 1682 499 226 -18 C +ATOM 112 CB BGLU A 16 -19.873 7.018 -8.008 0.50 9.56 C +ANISOU 112 CB BGLU A 16 1125 1066 1441 400 466 228 C +ATOM 113 CG AGLU A 16 -20.212 8.287 -8.558 0.50 10.26 C +ANISOU 113 CG AGLU A 16 1468 1078 1350 305 67 220 C +ATOM 114 CG BGLU A 16 -20.638 6.964 -6.706 0.50 12.99 C +ANISOU 114 CG BGLU A 16 1317 1632 1986 -402 1024 -16 C +ATOM 115 CD AGLU A 16 -20.055 9.119 -7.307 0.50 13.11 C +ANISOU 115 CD AGLU A 16 1537 1533 1913 -342 928 -440 C +ATOM 116 CD BGLU A 16 -21.701 8.006 -6.515 0.50 14.18 C +ANISOU 116 CD BGLU A 16 1051 2114 2224 -358 1062 -418 C +ATOM 117 OE1AGLU A 16 -20.336 8.601 -6.208 0.50 11.26 O +ANISOU 117 OE1AGLU A 16 715 2028 1533 98 467 -400 O +ATOM 118 OE1BGLU A 16 -22.779 7.563 -6.083 0.50 25.13 O +ANISOU 118 OE1BGLU A 16 1366 4597 3586 -1090 1953 -1250 O +ATOM 119 OE2AGLU A 16 -19.677 10.308 -7.454 0.50 17.05 O +ANISOU 119 OE2AGLU A 16 1780 1564 3136 -524 1435 -753 O +ATOM 120 OE2BGLU A 16 -21.499 9.226 -6.730 0.50 19.97 O +ANISOU 120 OE2BGLU A 16 2017 1832 3740 -55 -346 -434 O +ATOM 121 N VAL A 17 -18.486 4.252 -6.609 1.00 5.94 N +ANISOU 121 N VAL A 17 483 861 914 150 278 -95 N +ATOM 122 CA AVAL A 17 -18.445 2.852 -6.250 0.50 8.49 C +ANISOU 122 CA AVAL A 17 1064 975 1187 255 383 77 C +ATOM 123 CA BVAL A 17 -18.698 2.822 -6.373 0.50 7.85 C +ANISOU 123 CA BVAL A 17 871 997 1116 58 120 73 C +ATOM 124 C VAL A 17 -19.200 2.678 -4.942 1.00 7.73 C +ANISOU 124 C VAL A 17 986 816 1135 4 274 -16 C +ATOM 125 O VAL A 17 -18.805 3.335 -3.991 1.00 7.43 O +ANISOU 125 O VAL A 17 534 995 1292 -29 388 -261 O +ATOM 126 CB AVAL A 17 -16.925 2.561 -6.243 0.50 10.40 C +ANISOU 126 CB AVAL A 17 1210 1399 1343 815 377 -77 C +ATOM 127 CB BVAL A 17 -17.464 1.919 -6.549 0.50 6.72 C +ANISOU 127 CB BVAL A 17 848 476 1231 -183 346 40 C +ATOM 128 CG1AVAL A 17 -16.530 1.487 -5.277 0.50 11.15 C +ANISOU 128 CG1AVAL A 17 1273 1124 1841 135 -164 93 C +ATOM 129 CG1BVAL A 17 -17.112 1.819 -8.017 0.50 8.42 C +ANISOU 129 CG1BVAL A 17 674 1509 1016 19 -242 -389 C +ATOM 130 CG2AVAL A 17 -16.492 2.235 -7.676 0.50 13.10 C +ANISOU 130 CG2AVAL A 17 1562 2040 1375 1756 -36 -500 C +ATOM 131 CG2BVAL A 17 -16.358 2.531 -5.690 0.50 5.29 C +ANISOU 131 CG2BVAL A 17 962 794 252 178 130 434 C +ATOM 132 N LEU A 18 -20.227 1.825 -4.859 1.00 7.43 N +ANISOU 132 N LEU A 18 745 1013 1066 54 114 -100 N +ATOM 133 CA LEU A 18 -20.824 1.547 -3.540 1.00 7.79 C +ANISOU 133 CA LEU A 18 644 1169 1148 8 231 -60 C +ATOM 134 C LEU A 18 -21.218 2.822 -2.804 1.00 7.56 C +ANISOU 134 C LEU A 18 607 1096 1168 -191 267 -112 C +ATOM 135 O LEU A 18 -20.960 2.978 -1.617 1.00 8.80 O +ANISOU 135 O LEU A 18 743 1510 1093 -200 372 -144 O +ATOM 136 CB LEU A 18 -19.898 0.647 -2.722 1.00 6.95 C +ANISOU 136 CB LEU A 18 386 1331 925 -112 219 -97 C +ATOM 137 CG LEU A 18 -19.388 -0.631 -3.405 1.00 7.70 C +ANISOU 137 CG LEU A 18 613 1191 1121 -42 228 -85 C +ATOM 138 CD1 LEU A 18 -18.432 -1.389 -2.474 1.00 9.16 C +ANISOU 138 CD1 LEU A 18 943 1219 1319 5 -9 -116 C +ATOM 139 CD2 LEU A 18 -20.496 -1.544 -3.833 1.00 12.64 C +ANISOU 139 CD2 LEU A 18 1285 1222 2294 -150 -596 -179 C +ATOM 140 N GLY A 19 -21.836 3.734 -3.576 1.00 7.87 N +ANISOU 140 N GLY A 19 342 1251 1396 94 233 -269 N +ATOM 141 CA GLY A 19 -22.348 4.964 -3.048 1.00 8.09 C +ANISOU 141 CA GLY A 19 416 1418 1238 137 222 -424 C +ATOM 142 C GLY A 19 -21.390 6.097 -2.791 1.00 7.65 C +ANISOU 142 C GLY A 19 466 1199 1239 219 91 -266 C +ATOM 143 O GLY A 19 -21.776 7.146 -2.259 1.00 9.50 O +ANISOU 143 O GLY A 19 808 1220 1581 289 204 -340 O +ATOM 144 N GLU A 20 -20.113 5.901 -3.103 1.00 7.33 N +ANISOU 144 N GLU A 20 518 973 1295 1 164 -193 N +ATOM 145 CA GLU A 20 -19.049 6.777 -2.673 1.00 6.73 C +ANISOU 145 CA GLU A 20 580 897 1080 16 71 -37 C +ATOM 146 C GLU A 20 -18.066 6.980 -3.816 1.00 6.70 C +ANISOU 146 C GLU A 20 375 1053 1119 98 64 -121 C +ATOM 147 O GLU A 20 -17.815 6.116 -4.623 1.00 9.46 O +ANISOU 147 O GLU A 20 907 1094 1592 -31 487 -233 O +ATOM 148 CB GLU A 20 -18.307 6.186 -1.459 1.00 8.75 C +ANISOU 148 CB GLU A 20 671 1367 1288 217 28 147 C +ATOM 149 CG GLU A 20 -19.242 5.800 -0.306 1.00 9.47 C +ANISOU 149 CG GLU A 20 1247 1382 970 -176 4 9 C +ATOM 150 CD GLU A 20 -19.873 6.943 0.430 1.00 10.56 C +ANISOU 150 CD GLU A 20 1151 1633 1227 -228 150 -194 C +ATOM 151 OE1 GLU A 20 -19.262 8.043 0.490 1.00 12.14 O +ANISOU 151 OE1 GLU A 20 1126 1620 1867 -225 326 -449 O +ATOM 152 OE2 GLU A 20 -20.977 6.782 0.995 1.00 12.01 O +ANISOU 152 OE2 GLU A 20 1067 1733 1764 -214 191 -194 O +ATOM 153 N ARG A 21 -17.476 8.143 -3.846 1.00 7.67 N +ANISOU 153 N ARG A 21 707 1198 1007 -119 78 16 N +ATOM 154 CA ARG A 21 -16.504 8.465 -4.876 1.00 9.00 C +ANISOU 154 CA ARG A 21 975 1218 1227 -213 292 -124 C +ATOM 155 C ARG A 21 -15.112 8.026 -4.478 1.00 8.52 C +ANISOU 155 C ARG A 21 876 1410 949 -306 412 -121 C +ATOM 156 O ARG A 21 -14.677 8.328 -3.345 1.00 10.86 O +ANISOU 156 O ARG A 21 840 2135 1152 -67 350 -512 O +ATOM 157 CB AARG A 21 -16.405 9.981 -5.008 0.45 12.62 C +ANISOU 157 CB AARG A 21 1988 1268 1539 -259 280 340 C +ATOM 158 CB BARG A 21 -16.527 9.967 -5.180 0.20 11.77 C +ANISOU 158 CB BARG A 21 1628 1302 1542 -224 416 185 C +ATOM 159 CB CARG A 21 -16.568 9.967 -5.173 0.35 11.74 C +ANISOU 159 CB CARG A 21 1562 1274 1624 -228 451 140 C +ATOM 160 CG AARG A 21 -17.419 10.714 -5.846 0.45 11.84 C +ANISOU 160 CG AARG A 21 1520 1432 1545 123 640 78 C +ATOM 161 CG BARG A 21 -17.921 10.561 -5.284 0.20 11.83 C +ANISOU 161 CG BARG A 21 1735 1046 1714 -169 439 330 C +ATOM 162 CG CARG A 21 -16.060 10.423 -6.529 0.35 8.29 C +ANISOU 162 CG CARG A 21 239 1256 1655 182 369 139 C +ATOM 163 CD AARG A 21 -16.766 11.970 -6.416 0.45 12.82 C +ANISOU 163 CD AARG A 21 1932 1269 1669 -178 -394 269 C +ATOM 164 CD BARG A 21 -17.857 12.018 -5.723 0.20 13.30 C +ANISOU 164 CD BARG A 21 2214 1123 1717 -290 272 436 C +ATOM 165 CD CARG A 21 -16.076 11.940 -6.631 0.35 11.80 C +ANISOU 165 CD CARG A 21 1573 1281 1628 62 126 313 C +ATOM 166 NE AARG A 21 -15.945 12.689 -5.442 0.45 14.69 N +ANISOU 166 NE AARG A 21 2739 856 1986 387 -1136 179 N +ATOM 167 NE BARG A 21 -17.508 12.916 -4.633 0.20 18.94 N +ANISOU 167 NE BARG A 21 3142 1474 2579 -783 927 -355 N +ATOM 168 NE CARG A 21 -16.673 12.405 -7.881 0.35 18.59 N +ANISOU 168 NE CARG A 21 3253 1662 2147 -469 -698 773 N +ATOM 169 CZ AARG A 21 -15.463 13.910 -5.610 0.45 8.93 C +ANISOU 169 CZ AARG A 21 566 872 1957 764 -268 -249 C +ATOM 170 CZ BARG A 21 -18.172 13.054 -3.492 0.20 13.17 C +ANISOU 170 CZ BARG A 21 2855 -125 2276 834 495 312 C +ATOM 171 CZ CARG A 21 -16.623 13.670 -8.287 0.35 17.92 C +ANISOU 171 CZ CARG A 21 3315 1775 1718 -1071 -482 867 C +ATOM 172 NH1AARG A 21 -15.708 14.551 -6.726 0.45 7.59 N +ANISOU 172 NH1AARG A 21 692 627 1565 318 365 -365 N +ATOM 173 NH1BARG A 21 -19.263 12.327 -3.266 0.20 8.03 N +ANISOU 173 NH1BARG A 21 1313 1030 708 1366 -83 -308 N +ATOM 174 NH1CARG A 21 -16.000 14.572 -7.537 0.35 23.19 N +ANISOU 174 NH1CARG A 21 4597 1633 2582 -66 -1373 -20 N +ATOM 175 NH2AARG A 21 -14.731 14.500 -4.677 0.45 13.35 N +ANISOU 175 NH2AARG A 21 1438 1179 2457 923 -732 -720 N +ATOM 176 NH2BARG A 21 -17.727 13.919 -2.590 0.20 12.75 N +ANISOU 176 NH2BARG A 21 2042 520 2283 724 326 242 N +ATOM 177 NH2CARG A 21 -17.189 14.025 -9.433 0.35 15.89 N +ANISOU 177 NH2CARG A 21 1612 1573 2853 -363 -984 852 N +ATOM 178 N MET A 22 -14.421 7.354 -5.376 1.00 8.22 N +ANISOU 178 N MET A 22 837 1262 1024 -179 260 -111 N +ATOM 179 CA MET A 22 -12.999 7.091 -5.177 1.00 7.59 C +ANISOU 179 CA MET A 22 792 1153 940 -260 206 -106 C +ATOM 180 C MET A 22 -12.231 7.930 -6.192 1.00 6.96 C +ANISOU 180 C MET A 22 672 993 981 -38 36 110 C +ATOM 181 O MET A 22 -12.549 7.992 -7.377 1.00 8.47 O +ANISOU 181 O MET A 22 1043 1324 850 -280 157 -176 O +ATOM 182 CB MET A 22 -12.704 5.597 -5.362 1.00 7.37 C +ANISOU 182 CB MET A 22 661 1108 1031 -326 70 46 C +ATOM 183 CG MET A 22 -13.264 4.787 -4.190 1.00 9.32 C +ANISOU 183 CG MET A 22 1264 1165 1111 -341 457 -39 C +ATOM 184 SD MET A 22 -12.995 3.002 -4.334 1.00 10.25 S +ANISOU 184 SD MET A 22 1432 1108 1356 -418 233 -23 S +ATOM 185 CE MET A 22 -11.246 2.938 -4.059 1.00 11.38 C +ANISOU 185 CE MET A 22 1581 1240 1504 -185 -315 77 C +ATOM 186 N HIS A 23 -11.185 8.577 -5.667 1.00 5.66 N +ANISOU 186 N HIS A 23 632 637 881 56 202 4 N +ATOM 187 CA HIS A 23 -10.242 9.285 -6.519 1.00 5.54 C +ANISOU 187 CA HIS A 23 693 691 721 64 274 -66 C +ATOM 188 C HIS A 23 -9.126 8.371 -7.001 1.00 5.59 C +ANISOU 188 C HIS A 23 725 710 689 178 157 7 C +ATOM 189 O HIS A 23 -8.702 7.454 -6.274 1.00 6.42 O +ANISOU 189 O HIS A 23 734 843 862 69 164 211 O +ATOM 190 CB HIS A 23 -9.605 10.435 -5.745 1.00 5.49 C +ANISOU 190 CB HIS A 23 614 745 726 81 224 -29 C +ATOM 191 CG HIS A 23 -8.452 11.057 -6.419 1.00 5.71 C +ANISOU 191 CG HIS A 23 712 710 746 16 111 -6 C +ATOM 192 ND1 HIS A 23 -7.143 10.781 -6.043 1.00 6.54 N +ANISOU 192 ND1 HIS A 23 591 913 981 -19 190 9 N +ATOM 193 CD2 HIS A 23 -8.389 11.942 -7.437 1.00 5.83 C +ANISOU 193 CD2 HIS A 23 781 760 674 -97 207 -44 C +ATOM 194 CE1 HIS A 23 -6.361 11.493 -6.838 1.00 7.22 C +ANISOU 194 CE1 HIS A 23 782 1104 856 33 267 96 C +ATOM 195 NE2 HIS A 23 -7.084 12.229 -7.727 1.00 7.16 N +ANISOU 195 NE2 HIS A 23 714 1152 854 -84 139 50 N +ATOM 196 N TYR A 24 -8.636 8.617 -8.210 1.00 5.05 N +ANISOU 196 N TYR A 24 553 579 787 162 201 67 N +ATOM 197 CA TYR A 24 -7.528 7.862 -8.748 1.00 4.83 C +ANISOU 197 CA TYR A 24 354 632 848 145 72 -15 C +ATOM 198 C TYR A 24 -6.724 8.681 -9.765 1.00 5.18 C +ANISOU 198 C TYR A 24 611 609 748 218 202 -32 C +ATOM 199 O TYR A 24 -7.298 9.496 -10.463 1.00 5.64 O +ANISOU 199 O TYR A 24 680 686 777 211 69 -16 O +ATOM 200 CB TYR A 24 -7.972 6.532 -9.343 1.00 5.57 C +ANISOU 200 CB TYR A 24 706 689 721 70 148 -55 C +ATOM 201 CG TYR A 24 -8.929 6.608 -10.521 1.00 5.06 C +ANISOU 201 CG TYR A 24 574 587 762 -94 146 41 C +ATOM 202 CD1 TYR A 24 -10.261 6.925 -10.329 1.00 5.25 C +ANISOU 202 CD1 TYR A 24 681 480 833 92 168 28 C +ATOM 203 CD2 TYR A 24 -8.470 6.352 -11.803 1.00 4.82 C +ANISOU 203 CD2 TYR A 24 647 442 743 132 124 135 C +ATOM 204 CE1 TYR A 24 -11.096 6.991 -11.406 1.00 6.47 C +ANISOU 204 CE1 TYR A 24 713 788 958 101 73 52 C +ATOM 205 CE2 TYR A 24 -9.302 6.399 -12.891 1.00 5.24 C +ANISOU 205 CE2 TYR A 24 839 495 658 134 96 111 C +ATOM 206 CZ TYR A 24 -10.631 6.723 -12.680 1.00 7.08 C +ANISOU 206 CZ TYR A 24 868 920 902 357 -76 -14 C +ATOM 207 OH TYR A 24 -11.508 6.796 -13.721 1.00 8.88 O +ANISOU 207 OH TYR A 24 860 1445 1070 130 -140 -82 O +ATOM 208 N VAL A 25 -5.440 8.398 -9.807 1.00 4.58 N +ANISOU 208 N VAL A 25 542 530 669 17 89 121 N +ATOM 209 CA VAL A 25 -4.569 8.772 -10.910 1.00 4.27 C +ANISOU 209 CA VAL A 25 620 415 586 188 183 68 C +ATOM 210 C VAL A 25 -4.835 7.855 -12.083 1.00 4.63 C +ANISOU 210 C VAL A 25 648 426 687 249 75 64 C +ATOM 211 O VAL A 25 -4.981 6.639 -11.873 1.00 5.05 O +ANISOU 211 O VAL A 25 734 429 754 109 83 69 O +ATOM 212 CB VAL A 25 -3.087 8.652 -10.484 1.00 5.78 C +ANISOU 212 CB VAL A 25 563 651 982 94 192 -125 C +ATOM 213 CG1 VAL A 25 -2.174 8.967 -11.652 1.00 5.86 C +ANISOU 213 CG1 VAL A 25 561 722 942 183 122 32 C +ATOM 214 CG2 VAL A 25 -2.823 9.564 -9.296 1.00 6.72 C +ANISOU 214 CG2 VAL A 25 931 711 911 -4 34 -33 C +ATOM 215 N ASP A 26 -4.860 8.409 -13.284 1.00 5.01 N +ANISOU 215 N ASP A 26 687 570 647 243 88 81 N +ATOM 216 CA ASP A 26 -4.985 7.583 -14.501 1.00 5.74 C +ANISOU 216 CA ASP A 26 672 849 662 212 17 26 C +ATOM 217 C ASP A 26 -4.234 8.277 -15.609 1.00 5.62 C +ANISOU 217 C ASP A 26 919 560 655 195 100 -70 C +ATOM 218 O ASP A 26 -4.741 9.274 -16.140 1.00 6.72 O +ANISOU 218 O ASP A 26 946 598 1010 237 165 46 O +ATOM 219 CB ASP A 26 -6.427 7.384 -14.873 1.00 6.67 C +ANISOU 219 CB ASP A 26 693 1171 672 311 -1 -131 C +ATOM 220 CG ASP A 26 -6.652 6.342 -15.937 1.00 6.06 C +ANISOU 220 CG ASP A 26 890 636 776 116 51 48 C +ATOM 221 OD1 ASP A 26 -5.682 5.823 -16.512 1.00 7.04 O +ANISOU 221 OD1 ASP A 26 1016 819 841 265 127 -66 O +ATOM 222 OD2 ASP A 26 -7.827 6.029 -16.196 1.00 9.75 O +ANISOU 222 OD2 ASP A 26 922 1220 1562 254 -169 -450 O +ATOM 223 N VAL A 27 -3.038 7.792 -15.928 1.00 5.79 N +ANISOU 223 N VAL A 27 821 617 762 121 98 79 N +ATOM 224 CA VAL A 27 -2.203 8.368 -16.959 1.00 5.98 C +ANISOU 224 CA VAL A 27 830 658 784 159 129 83 C +ATOM 225 C VAL A 27 -1.683 7.252 -17.855 1.00 6.40 C +ANISOU 225 C VAL A 27 1017 577 838 24 192 35 C +ATOM 226 O VAL A 27 -1.730 6.086 -17.486 1.00 7.06 O +ANISOU 226 O VAL A 27 1137 629 917 97 290 95 O +ATOM 227 CB VAL A 27 -1.027 9.168 -16.399 1.00 5.85 C +ANISOU 227 CB VAL A 27 811 652 761 120 242 -33 C +ATOM 228 CG1 VAL A 27 -1.539 10.408 -15.677 1.00 6.91 C +ANISOU 228 CG1 VAL A 27 966 795 863 247 181 -75 C +ATOM 229 CG2 VAL A 27 -0.171 8.311 -15.495 1.00 6.90 C +ANISOU 229 CG2 VAL A 27 671 836 1115 149 131 -40 C +ATOM 230 N GLY A 28 -1.218 7.604 -19.033 1.00 6.89 N +ANISOU 230 N GLY A 28 1247 544 828 181 267 134 N +ATOM 231 CA GLY A 28 -0.608 6.650 -19.945 1.00 7.15 C +ANISOU 231 CA GLY A 28 1098 572 1045 -87 338 -54 C +ATOM 232 C GLY A 28 -1.556 6.078 -20.965 1.00 7.76 C +ANISOU 232 C GLY A 28 1140 821 986 -266 392 1 C +ATOM 233 O GLY A 28 -2.779 6.339 -20.931 1.00 9.16 O +ANISOU 233 O GLY A 28 1245 878 1356 79 58 -129 O +ATOM 234 N PRO A 29 -1.020 5.292 -21.882 1.00 7.87 N +ANISOU 234 N PRO A 29 1407 743 839 93 66 68 N +ATOM 235 CA PRO A 29 -1.817 4.762 -22.985 1.00 9.74 C +ANISOU 235 CA PRO A 29 1909 744 1048 -188 -63 -11 C +ATOM 236 C PRO A 29 -2.906 3.795 -22.525 1.00 8.80 C +ANISOU 236 C PRO A 29 1535 638 1171 86 76 -81 C +ATOM 237 O PRO A 29 -2.730 3.100 -21.557 1.00 10.30 O +ANISOU 237 O PRO A 29 1768 1057 1088 -187 178 22 O +ATOM 238 CB PRO A 29 -0.771 3.989 -23.795 1.00 10.10 C +ANISOU 238 CB PRO A 29 2106 927 804 -391 349 83 C +ATOM 239 CG PRO A 29 0.289 3.654 -22.829 1.00 9.94 C +ANISOU 239 CG PRO A 29 1866 1062 850 -61 473 -317 C +ATOM 240 CD PRO A 29 0.384 4.876 -21.942 1.00 8.42 C +ANISOU 240 CD PRO A 29 1449 716 1034 -32 396 -126 C +ATOM 241 N ARG A 30 -4.003 3.758 -23.294 1.00 11.63 N +ANISOU 241 N ARG A 30 1487 1171 1761 262 -107 -120 N +ATOM 242 CA BARG A 30 -5.111 2.893 -22.896 0.40 13.19 C +ANISOU 242 CA BARG A 30 1537 1313 2163 80 -270 -101 C +ATOM 243 CA CARG A 30 -5.202 2.989 -23.076 0.30 13.75 C +ANISOU 243 CA CARG A 30 1540 1410 2275 96 -296 -176 C +ATOM 244 CA DARG A 30 -5.177 2.959 -22.992 0.30 13.56 C +ANISOU 244 CA DARG A 30 1528 1359 2266 100 -267 -137 C +ATOM 245 C ARG A 30 -5.242 1.586 -23.661 1.00 13.97 C +ANISOU 245 C ARG A 30 1631 1494 2181 -2 -471 -213 C +ATOM 246 O ARG A 30 -6.201 0.841 -23.397 1.00 16.06 O +ANISOU 246 O ARG A 30 1827 1719 2555 -314 -641 -64 O +ATOM 247 CB BARG A 30 -6.454 3.616 -23.075 0.40 17.45 C +ANISOU 247 CB BARG A 30 1421 2304 2904 299 -381 -921 C +ATOM 248 CB CARG A 30 -6.365 3.747 -23.770 0.30 17.95 C +ANISOU 248 CB CARG A 30 1663 2190 2967 693 -654 -831 C +ATOM 249 CB DARG A 30 -6.455 3.700 -23.436 0.30 16.39 C +ANISOU 249 CB DARG A 30 1562 1820 2844 228 -575 -457 C +ATOM 250 CG BARG A 30 -6.547 4.903 -22.275 0.40 14.99 C +ANISOU 250 CG BARG A 30 1243 2032 2420 210 31 -559 C +ATOM 251 CG CARG A 30 -7.369 4.308 -22.774 0.30 18.57 C +ANISOU 251 CG CARG A 30 1684 2531 2842 523 -659 -1040 C +ATOM 252 CG DARG A 30 -6.337 5.207 -23.580 0.30 14.94 C +ANISOU 252 CG DARG A 30 1396 1713 2568 577 -661 -603 C +ATOM 253 CD BARG A 30 -6.934 4.552 -20.843 0.40 14.86 C +ANISOU 253 CD BARG A 30 2016 1407 2224 260 -644 -102 C +ATOM 254 CD CARG A 30 -6.886 5.606 -22.175 0.30 16.89 C +ANISOU 254 CD CARG A 30 1622 2172 2624 796 -955 -698 C +ATOM 255 CD DARG A 30 -7.104 5.944 -22.498 0.30 17.32 C +ANISOU 255 CD DARG A 30 1422 2485 2672 649 -668 -897 C +ATOM 256 NE BARG A 30 -7.241 5.734 -20.061 0.40 12.02 N +ANISOU 256 NE BARG A 30 1373 1410 1783 -193 -257 42 N +ATOM 257 NE CARG A 30 -5.719 5.482 -21.297 0.30 11.89 N +ANISOU 257 NE CARG A 30 1386 1122 2011 421 -542 197 N +ATOM 258 NE DARG A 30 -6.923 5.387 -21.152 0.30 20.35 N +ANISOU 258 NE DARG A 30 2607 2583 2542 -162 -559 -853 N +ATOM 259 CZ BARG A 30 -8.489 6.164 -19.901 0.40 15.22 C +ANISOU 259 CZ BARG A 30 1553 1948 2282 246 -801 -485 C +ATOM 260 CZ CARG A 30 -5.821 5.773 -19.998 0.30 11.41 C +ANISOU 260 CZ CARG A 30 1710 648 1976 94 -404 352 C +ATOM 261 CZ DARG A 30 -7.183 6.104 -20.061 0.30 17.88 C +ANISOU 261 CZ DARG A 30 2056 2094 2643 32 -647 -742 C +ATOM 262 NH1BARG A 30 -9.520 5.518 -20.451 0.40 10.66 N +ANISOU 262 NH1BARG A 30 1400 1619 1031 109 -721 582 N +ATOM 263 NH1CARG A 30 -6.996 6.164 -19.524 0.30 13.43 N +ANISOU 263 NH1CARG A 30 1646 1773 1683 589 -1020 -449 N +ATOM 264 NH1DARG A 30 -7.022 5.606 -18.848 0.30 14.66 N +ANISOU 264 NH1DARG A 30 1686 1290 2593 151 -195 -861 N +ATOM 265 NH2BARG A 30 -8.619 7.258 -19.167 0.40 12.46 N +ANISOU 265 NH2BARG A 30 2258 1333 1143 384 -548 358 N +ATOM 266 NH2CARG A 30 -4.776 5.672 -19.192 0.30 14.41 N +ANISOU 266 NH2CARG A 30 555 3251 1668 -952 262 -424 N +ATOM 267 NH2DARG A 30 -7.618 7.350 -20.198 0.30 21.08 N +ANISOU 267 NH2DARG A 30 3101 2162 2748 175 -1215 -511 N +ATOM 268 N ASP A 31 -4.288 1.300 -24.518 1.00 12.63 N +ANISOU 268 N ASP A 31 1991 1276 1530 359 -595 149 N +ATOM 269 CA ASP A 31 -4.507 0.086 -25.313 1.00 13.67 C +ANISOU 269 CA ASP A 31 2397 1310 1487 260 -617 130 C +ATOM 270 C ASP A 31 -3.723 -1.124 -24.876 1.00 13.09 C +ANISOU 270 C ASP A 31 2209 1259 1506 271 -553 -62 C +ATOM 271 O ASP A 31 -3.548 -2.068 -25.661 1.00 20.85 O +ANISOU 271 O ASP A 31 4475 1788 1658 1186 -1035 -384 O +ATOM 272 CB ASP A 31 -4.198 0.525 -26.755 1.00 14.12 C +ANISOU 272 CB ASP A 31 2240 1480 1645 620 -124 128 C +ATOM 273 CG ASP A 31 -2.758 0.998 -26.892 1.00 17.80 C +ANISOU 273 CG ASP A 31 2446 1930 2389 316 118 -133 C +ATOM 274 OD1 ASP A 31 -2.127 1.427 -25.886 1.00 21.77 O +ANISOU 274 OD1 ASP A 31 3016 2703 2551 -1020 247 -97 O +ATOM 275 OD2 ASP A 31 -2.267 0.885 -28.041 1.00 26.59 O +ANISOU 275 OD2 ASP A 31 2899 5149 2056 -714 152 576 O +ATOM 276 N GLY A 32 -3.245 -1.188 -23.652 1.00 9.37 N +ANISOU 276 N GLY A 32 1433 965 1161 177 77 147 N +ATOM 277 CA GLY A 32 -2.411 -2.267 -23.196 1.00 9.34 C +ANISOU 277 CA GLY A 32 1673 995 883 200 104 48 C +ATOM 278 C GLY A 32 -2.835 -2.789 -21.848 1.00 7.89 C +ANISOU 278 C GLY A 32 1275 839 883 363 207 -52 C +ATOM 279 O GLY A 32 -3.991 -2.722 -21.452 1.00 8.40 O +ANISOU 279 O GLY A 32 1034 1166 991 154 -81 -11 O +ATOM 280 N THR A 33 -1.874 -3.339 -21.111 1.00 7.10 N +ANISOU 280 N THR A 33 929 981 787 17 146 -52 N +ATOM 281 CA THR A 33 -2.118 -3.876 -19.780 1.00 6.57 C +ANISOU 281 CA THR A 33 908 774 814 100 210 -83 C +ATOM 282 C THR A 33 -1.761 -2.790 -18.791 1.00 5.71 C +ANISOU 282 C THR A 33 761 592 818 105 169 18 C +ATOM 283 O THR A 33 -0.617 -2.300 -18.759 1.00 7.54 O +ANISOU 283 O THR A 33 816 1007 1042 -28 250 -145 O +ATOM 284 CB THR A 33 -1.268 -5.125 -19.524 1.00 7.94 C +ANISOU 284 CB THR A 33 1260 599 1156 99 208 -50 C +ATOM 285 OG1 THR A 33 -1.661 -6.122 -20.463 1.00 10.85 O +ANISOU 285 OG1 THR A 33 1985 874 1262 373 127 -344 O +ATOM 286 CG2 THR A 33 -1.504 -5.668 -18.128 1.00 7.91 C +ANISOU 286 CG2 THR A 33 998 907 1100 309 134 18 C +ATOM 287 N PRO A 34 -2.706 -2.367 -17.961 1.00 5.46 N +ANISOU 287 N PRO A 34 706 668 700 -31 131 -12 N +ATOM 288 CA PRO A 34 -2.422 -1.322 -17.003 1.00 5.46 C +ANISOU 288 CA PRO A 34 816 573 685 70 83 29 C +ATOM 289 C PRO A 34 -1.647 -1.803 -15.772 1.00 4.95 C +ANISOU 289 C PRO A 34 732 513 634 43 164 16 C +ATOM 290 O PRO A 34 -1.678 -2.994 -15.438 1.00 5.38 O +ANISOU 290 O PRO A 34 840 397 807 31 101 -17 O +ATOM 291 CB PRO A 34 -3.822 -0.858 -16.575 1.00 7.21 C +ANISOU 291 CB PRO A 34 984 1026 729 379 64 0 C +ATOM 292 CG PRO A 34 -4.693 -2.055 -16.733 1.00 9.84 C +ANISOU 292 CG PRO A 34 775 1486 1477 132 364 -211 C +ATOM 293 CD PRO A 34 -4.127 -2.827 -17.899 1.00 6.95 C +ANISOU 293 CD PRO A 34 736 1025 879 -120 67 47 C +ATOM 294 N VAL A 35 -0.987 -0.850 -15.148 1.00 4.59 N +ANISOU 294 N VAL A 35 785 317 643 162 94 51 N +ATOM 295 CA VAL A 35 -0.251 -1.056 -13.927 1.00 4.56 C +ANISOU 295 CA VAL A 35 732 496 505 125 183 81 C +ATOM 296 C VAL A 35 -1.049 -0.368 -12.814 1.00 4.75 C +ANISOU 296 C VAL A 35 684 430 689 -32 220 -81 C +ATOM 297 O VAL A 35 -1.269 0.851 -12.862 1.00 5.53 O +ANISOU 297 O VAL A 35 852 481 767 155 167 35 O +ATOM 298 CB VAL A 35 1.183 -0.536 -14.046 1.00 4.44 C +ANISOU 298 CB VAL A 35 657 300 730 276 156 -28 C +ATOM 299 CG1 VAL A 35 1.963 -0.837 -12.782 1.00 5.61 C +ANISOU 299 CG1 VAL A 35 816 602 713 130 31 -33 C +ATOM 300 CG2 VAL A 35 1.891 -1.126 -15.263 1.00 5.83 C +ANISOU 300 CG2 VAL A 35 797 661 757 112 230 -229 C +ATOM 301 N LEU A 36 -1.466 -1.179 -11.841 1.00 4.28 N +ANISOU 301 N LEU A 36 615 444 569 110 194 -45 N +ATOM 302 CA LEU A 36 -2.333 -0.740 -10.748 1.00 4.18 C +ANISOU 302 CA LEU A 36 526 483 579 133 136 -69 C +ATOM 303 C LEU A 36 -1.500 -0.619 -9.494 1.00 3.94 C +ANISOU 303 C LEU A 36 497 470 529 58 171 23 C +ATOM 304 O LEU A 36 -0.968 -1.627 -9.013 1.00 4.84 O +ANISOU 304 O LEU A 36 511 551 775 197 106 -51 O +ATOM 305 CB LEU A 36 -3.456 -1.760 -10.573 1.00 4.61 C +ANISOU 305 CB LEU A 36 661 435 655 16 140 -160 C +ATOM 306 CG LEU A 36 -4.455 -1.487 -9.457 1.00 4.58 C +ANISOU 306 CG LEU A 36 486 613 641 82 64 41 C +ATOM 307 CD1 LEU A 36 -5.241 -0.199 -9.683 1.00 6.59 C +ANISOU 307 CD1 LEU A 36 808 411 1285 88 169 -237 C +ATOM 308 CD2 LEU A 36 -5.426 -2.655 -9.284 1.00 5.82 C +ANISOU 308 CD2 LEU A 36 711 512 988 7 300 -114 C +ATOM 309 N PHE A 37 -1.404 0.579 -8.962 1.00 4.08 N +ANISOU 309 N PHE A 37 432 536 582 208 117 -125 N +ATOM 310 CA PHE A 37 -0.565 0.922 -7.817 1.00 4.19 C +ANISOU 310 CA PHE A 37 541 410 640 164 83 -7 C +ATOM 311 C PHE A 37 -1.427 1.027 -6.570 1.00 4.09 C +ANISOU 311 C PHE A 37 553 391 611 57 150 -54 C +ATOM 312 O PHE A 37 -2.369 1.837 -6.572 1.00 4.98 O +ANISOU 312 O PHE A 37 835 436 623 200 231 27 O +ATOM 313 CB PHE A 37 0.143 2.273 -8.012 1.00 4.41 C +ANISOU 313 CB PHE A 37 569 454 651 103 160 -98 C +ATOM 314 CG PHE A 37 1.141 2.303 -9.149 1.00 4.69 C +ANISOU 314 CG PHE A 37 679 446 655 5 261 -140 C +ATOM 315 CD1 PHE A 37 0.723 2.414 -10.463 1.00 4.29 C +ANISOU 315 CD1 PHE A 37 441 449 740 144 171 -22 C +ATOM 316 CD2 PHE A 37 2.501 2.209 -8.883 1.00 5.02 C +ANISOU 316 CD2 PHE A 37 614 648 647 -19 204 -104 C +ATOM 317 CE1 PHE A 37 1.628 2.448 -11.508 1.00 5.52 C +ANISOU 317 CE1 PHE A 37 805 679 615 143 241 -46 C +ATOM 318 CE2 PHE A 37 3.399 2.259 -9.957 1.00 5.55 C +ANISOU 318 CE2 PHE A 37 598 671 841 -18 291 -101 C +ATOM 319 CZ PHE A 37 2.983 2.387 -11.245 1.00 5.21 C +ANISOU 319 CZ PHE A 37 650 606 723 -39 440 -213 C +ATOM 320 N LEU A 38 -1.120 0.254 -5.529 1.00 4.09 N +ANISOU 320 N LEU A 38 385 580 589 207 135 -98 N +ATOM 321 CA LEU A 38 -1.960 0.208 -4.323 1.00 4.04 C +ANISOU 321 CA LEU A 38 542 407 586 183 199 -77 C +ATOM 322 C LEU A 38 -1.159 0.592 -3.093 1.00 3.84 C +ANISOU 322 C LEU A 38 502 412 544 56 192 71 C +ATOM 323 O LEU A 38 -0.237 -0.108 -2.691 1.00 4.86 O +ANISOU 323 O LEU A 38 503 647 695 194 157 -73 O +ATOM 324 CB LEU A 38 -2.587 -1.180 -4.156 1.00 4.62 C +ANISOU 324 CB LEU A 38 695 395 664 159 149 -185 C +ATOM 325 CG LEU A 38 -3.403 -1.725 -5.319 1.00 5.21 C +ANISOU 325 CG LEU A 38 693 620 666 4 49 10 C +ATOM 326 CD1 LEU A 38 -3.893 -3.134 -4.998 1.00 5.17 C +ANISOU 326 CD1 LEU A 38 508 520 937 42 244 -132 C +ATOM 327 CD2 LEU A 38 -4.564 -0.782 -5.628 1.00 5.43 C +ANISOU 327 CD2 LEU A 38 664 603 795 -21 114 78 C +ATOM 328 N HIS A 39 -1.499 1.759 -2.532 1.00 4.72 N +ANISOU 328 N HIS A 39 645 545 604 74 249 -121 N +ATOM 329 CA HIS A 39 -0.888 2.268 -1.307 1.00 4.87 C +ANISOU 329 CA HIS A 39 732 591 529 114 241 -62 C +ATOM 330 C HIS A 39 -1.471 1.581 -0.071 1.00 4.69 C +ANISOU 330 C HIS A 39 772 428 582 -25 174 -3 C +ATOM 331 O HIS A 39 -2.469 0.852 -0.157 1.00 5.34 O +ANISOU 331 O HIS A 39 748 499 781 -19 117 -112 O +ATOM 332 CB HIS A 39 -1.093 3.778 -1.191 1.00 4.44 C +ANISOU 332 CB HIS A 39 526 488 673 -73 242 72 C +ATOM 333 CG HIS A 39 -2.468 4.199 -0.851 1.00 4.32 C +ANISOU 333 CG HIS A 39 557 434 649 -23 175 10 C +ATOM 334 ND1 HIS A 39 -2.934 4.210 0.474 1.00 4.10 N +ANISOU 334 ND1 HIS A 39 536 310 711 119 215 -52 N +ATOM 335 CD2 HIS A 39 -3.528 4.554 -1.616 1.00 4.32 C +ANISOU 335 CD2 HIS A 39 464 438 740 -81 213 -69 C +ATOM 336 CE1 HIS A 39 -4.226 4.595 0.435 1.00 4.25 C +ANISOU 336 CE1 HIS A 39 536 382 696 20 99 -7 C +ATOM 337 NE2 HIS A 39 -4.627 4.824 -0.819 1.00 4.59 N +ANISOU 337 NE2 HIS A 39 605 524 614 142 177 13 N +ATOM 338 N GLY A 40 -0.856 1.861 1.088 1.00 4.63 N +ANISOU 338 N GLY A 40 651 555 553 14 300 -104 N +ATOM 339 CA GLY A 40 -1.315 1.375 2.365 1.00 4.53 C +ANISOU 339 CA GLY A 40 744 484 492 123 109 3 C +ATOM 340 C GLY A 40 -1.499 2.457 3.392 1.00 3.65 C +ANISOU 340 C GLY A 40 457 424 507 129 158 1 C +ATOM 341 O GLY A 40 -1.986 3.555 3.082 1.00 5.06 O +ANISOU 341 O GLY A 40 762 516 646 249 29 63 O +ATOM 342 N ASN A 41 -1.205 2.157 4.644 1.00 4.03 N +ANISOU 342 N ASN A 41 561 475 494 73 161 12 N +ATOM 343 CA ASN A 41 -1.516 3.056 5.764 1.00 4.04 C +ANISOU 343 CA ASN A 41 638 440 457 123 74 72 C +ATOM 344 C ASN A 41 -0.318 3.895 6.125 1.00 3.73 C +ANISOU 344 C ASN A 41 543 485 390 157 183 -19 C +ATOM 345 O ASN A 41 0.778 3.301 6.288 1.00 5.45 O +ANISOU 345 O ASN A 41 536 597 938 173 260 -70 O +ATOM 346 CB ASN A 41 -1.944 2.205 6.968 1.00 4.42 C +ANISOU 346 CB ASN A 41 720 509 448 97 56 133 C +ATOM 347 CG ASN A 41 -2.583 3.033 8.055 1.00 5.30 C +ANISOU 347 CG ASN A 41 872 475 666 24 316 176 C +ATOM 348 OD1 ASN A 41 -3.213 4.031 7.773 1.00 5.73 O +ANISOU 348 OD1 ASN A 41 938 557 684 120 237 84 O +ATOM 349 ND2 ASN A 41 -2.419 2.590 9.292 1.00 5.26 N +ANISOU 349 ND2 ASN A 41 796 632 569 176 138 -5 N +ATOM 350 N PRO A 42 -0.427 5.180 6.365 1.00 4.24 N +ANISOU 350 N PRO A 42 477 496 638 118 211 -119 N +ATOM 351 CA PRO A 42 -1.570 6.094 6.246 1.00 3.52 C +ANISOU 351 CA PRO A 42 355 450 531 73 363 -64 C +ATOM 352 C PRO A 42 -1.436 6.982 5.002 1.00 4.16 C +ANISOU 352 C PRO A 42 656 359 567 65 400 -109 C +ATOM 353 O PRO A 42 -1.561 8.196 5.070 1.00 5.07 O +ANISOU 353 O PRO A 42 866 406 654 98 265 -30 O +ATOM 354 CB PRO A 42 -1.376 6.938 7.486 1.00 4.62 C +ANISOU 354 CB PRO A 42 681 476 597 -2 413 -117 C +ATOM 355 CG PRO A 42 0.095 7.179 7.495 1.00 4.43 C +ANISOU 355 CG PRO A 42 642 500 542 14 263 -149 C +ATOM 356 CD PRO A 42 0.708 5.923 6.956 1.00 4.47 C +ANISOU 356 CD PRO A 42 582 490 627 136 46 -41 C +ATOM 357 N THR A 43 -1.130 6.364 3.880 1.00 3.83 N +ANISOU 357 N THR A 43 704 264 486 14 320 -24 N +ATOM 358 CA THR A 43 -0.727 7.086 2.687 1.00 4.05 C +ANISOU 358 CA THR A 43 596 422 522 -25 298 -82 C +ATOM 359 C THR A 43 -1.844 7.201 1.669 1.00 4.95 C +ANISOU 359 C THR A 43 734 510 639 43 186 93 C +ATOM 360 O THR A 43 -3.027 7.115 2.025 1.00 4.93 O +ANISOU 360 O THR A 43 641 525 709 84 250 7 O +ATOM 361 CB THR A 43 0.579 6.444 2.137 1.00 4.47 C +ANISOU 361 CB THR A 43 601 588 508 1 311 -85 C +ATOM 362 OG1 THR A 43 0.227 5.129 1.692 1.00 4.97 O +ANISOU 362 OG1 THR A 43 675 425 789 101 178 -122 O +ATOM 363 CG2 THR A 43 1.660 6.445 3.148 1.00 5.53 C +ANISOU 363 CG2 THR A 43 705 766 629 104 96 -71 C +ATOM 364 N SER A 44 -1.540 7.456 0.408 1.00 4.77 N +ANISOU 364 N SER A 44 564 659 589 -96 172 21 N +ATOM 365 CA SER A 44 -2.462 7.668 -0.666 1.00 4.56 C +ANISOU 365 CA SER A 44 520 616 596 68 136 -52 C +ATOM 366 C SER A 44 -1.679 7.480 -1.960 1.00 4.03 C +ANISOU 366 C SER A 44 317 601 613 15 158 -128 C +ATOM 367 O SER A 44 -0.487 7.145 -1.921 1.00 4.65 O +ANISOU 367 O SER A 44 387 572 807 71 109 -2 O +ATOM 368 CB SER A 44 -3.084 9.055 -0.638 1.00 5.67 C +ANISOU 368 CB SER A 44 653 601 902 172 200 -245 C +ATOM 369 OG SER A 44 -2.118 10.024 -0.978 1.00 8.09 O +ANISOU 369 OG SER A 44 1425 673 975 31 667 160 O +ATOM 370 N SER A 45 -2.302 7.745 -3.100 1.00 4.22 N +ANISOU 370 N SER A 45 370 617 615 162 121 -94 N +ATOM 371 CA SER A 45 -1.616 7.795 -4.368 1.00 4.39 C +ANISOU 371 CA SER A 45 595 403 670 149 215 -110 C +ATOM 372 C SER A 45 -0.428 8.767 -4.364 1.00 3.77 C +ANISOU 372 C SER A 45 489 347 597 215 71 -65 C +ATOM 373 O SER A 45 0.479 8.567 -5.179 1.00 4.68 O +ANISOU 373 O SER A 45 680 547 551 130 249 -88 O +ATOM 374 CB SER A 45 -2.594 8.131 -5.499 1.00 4.60 C +ANISOU 374 CB SER A 45 527 660 561 31 227 -123 C +ATOM 375 OG SER A 45 -3.230 9.385 -5.281 1.00 5.48 O +ANISOU 375 OG SER A 45 709 536 838 120 84 134 O +ATOM 376 N TYR A 46 -0.385 9.722 -3.451 1.00 3.82 N +ANISOU 376 N TYR A 46 470 432 551 103 217 -80 N +ATOM 377 CA TYR A 46 0.780 10.593 -3.302 1.00 4.06 C +ANISOU 377 CA TYR A 46 519 421 602 35 142 -21 C +ATOM 378 C TYR A 46 2.069 9.793 -3.146 1.00 4.61 C +ANISOU 378 C TYR A 46 495 524 733 63 145 -39 C +ATOM 379 O TYR A 46 3.142 10.208 -3.604 1.00 4.61 O +ANISOU 379 O TYR A 46 535 407 809 -8 179 -103 O +ATOM 380 CB TYR A 46 0.541 11.559 -2.123 1.00 4.86 C +ANISOU 380 CB TYR A 46 658 496 692 16 275 -100 C +ATOM 381 CG TYR A 46 1.609 12.615 -1.945 1.00 4.84 C +ANISOU 381 CG TYR A 46 632 446 760 61 176 -165 C +ATOM 382 CD1 TYR A 46 1.645 13.715 -2.777 1.00 4.77 C +ANISOU 382 CD1 TYR A 46 564 440 809 54 168 -168 C +ATOM 383 CD2 TYR A 46 2.591 12.481 -0.973 1.00 5.43 C +ANISOU 383 CD2 TYR A 46 683 627 752 167 159 -229 C +ATOM 384 CE1 TYR A 46 2.641 14.675 -2.642 1.00 5.14 C +ANISOU 384 CE1 TYR A 46 591 577 784 -30 211 -37 C +ATOM 385 CE2 TYR A 46 3.562 13.442 -0.840 1.00 5.92 C +ANISOU 385 CE2 TYR A 46 606 755 890 111 61 -83 C +ATOM 386 CZ TYR A 46 3.595 14.540 -1.654 1.00 5.22 C +ANISOU 386 CZ TYR A 46 521 586 875 154 165 -249 C +ATOM 387 OH TYR A 46 4.590 15.494 -1.491 1.00 6.55 O +ANISOU 387 OH TYR A 46 664 662 1163 -10 139 -289 O +ATOM 388 N LEU A 47 1.991 8.631 -2.494 1.00 4.36 N +ANISOU 388 N LEU A 47 439 490 727 62 187 3 N +ATOM 389 CA LEU A 47 3.166 7.806 -2.271 1.00 4.44 C +ANISOU 389 CA LEU A 47 501 445 741 87 242 -139 C +ATOM 390 C LEU A 47 3.829 7.339 -3.535 1.00 4.28 C +ANISOU 390 C LEU A 47 445 538 642 24 163 -87 C +ATOM 391 O LEU A 47 5.014 7.040 -3.544 1.00 4.70 O +ANISOU 391 O LEU A 47 468 504 815 44 178 -25 O +ATOM 392 CB LEU A 47 2.752 6.596 -1.402 1.00 4.64 C +ANISOU 392 CB LEU A 47 569 465 730 273 405 -82 C +ATOM 393 CG LEU A 47 3.852 5.612 -0.990 1.00 5.28 C +ANISOU 393 CG LEU A 47 503 572 931 280 411 -60 C +ATOM 394 CD1 LEU A 47 4.897 6.276 -0.137 1.00 8.48 C +ANISOU 394 CD1 LEU A 47 1179 1216 827 243 -129 24 C +ATOM 395 CD2 LEU A 47 3.212 4.457 -0.261 1.00 8.76 C +ANISOU 395 CD2 LEU A 47 1204 709 1414 382 553 287 C +ATOM 396 N TRP A 48 3.083 7.246 -4.621 1.00 4.52 N +ANISOU 396 N TRP A 48 456 599 661 -5 186 -52 N +ATOM 397 CA TRP A 48 3.561 6.761 -5.903 1.00 4.35 C +ANISOU 397 CA TRP A 48 633 336 684 78 217 -112 C +ATOM 398 C TRP A 48 3.967 7.878 -6.860 1.00 4.07 C +ANISOU 398 C TRP A 48 390 519 639 -6 167 -102 C +ATOM 399 O TRP A 48 4.362 7.594 -7.987 1.00 4.64 O +ANISOU 399 O TRP A 48 534 557 673 99 260 -94 O +ATOM 400 CB TRP A 48 2.452 5.917 -6.549 1.00 4.20 C +ANISOU 400 CB TRP A 48 618 397 579 57 102 18 C +ATOM 401 CG TRP A 48 2.020 4.725 -5.749 1.00 3.47 C +ANISOU 401 CG TRP A 48 494 375 449 73 168 -67 C +ATOM 402 CD1 TRP A 48 0.785 4.528 -5.209 1.00 4.36 C +ANISOU 402 CD1 TRP A 48 496 278 882 19 190 -124 C +ATOM 403 CD2 TRP A 48 2.786 3.565 -5.395 1.00 3.99 C +ANISOU 403 CD2 TRP A 48 534 420 564 67 215 -8 C +ATOM 404 NE1 TRP A 48 0.722 3.341 -4.525 1.00 4.38 N +ANISOU 404 NE1 TRP A 48 490 490 686 -23 218 12 N +ATOM 405 CE2 TRP A 48 1.940 2.726 -4.635 1.00 4.09 C +ANISOU 405 CE2 TRP A 48 598 463 494 0 100 32 C +ATOM 406 CE3 TRP A 48 4.094 3.149 -5.631 1.00 4.62 C +ANISOU 406 CE3 TRP A 48 611 357 786 144 314 -198 C +ATOM 407 CZ2 TRP A 48 2.360 1.529 -4.139 1.00 4.78 C +ANISOU 407 CZ2 TRP A 48 780 443 593 58 136 70 C +ATOM 408 CZ3 TRP A 48 4.529 1.936 -5.128 1.00 4.84 C +ANISOU 408 CZ3 TRP A 48 612 463 765 97 57 -38 C +ATOM 409 CH2 TRP A 48 3.666 1.131 -4.387 1.00 5.25 C +ANISOU 409 CH2 TRP A 48 711 625 658 88 103 11 C +ATOM 410 N ARG A 49 3.900 9.138 -6.409 1.00 4.36 N +ANISOU 410 N ARG A 49 667 439 551 -56 138 -31 N +ATOM 411 CA ARG A 49 4.041 10.281 -7.288 1.00 4.28 C +ANISOU 411 CA ARG A 49 494 533 601 70 168 55 C +ATOM 412 C ARG A 49 5.367 10.297 -8.046 1.00 5.28 C +ANISOU 412 C ARG A 49 585 804 618 36 200 130 C +ATOM 413 O ARG A 49 5.392 10.796 -9.182 1.00 5.45 O +ANISOU 413 O ARG A 49 790 656 623 14 280 108 O +ATOM 414 CB ARG A 49 3.897 11.571 -6.470 1.00 5.19 C +ANISOU 414 CB ARG A 49 786 386 799 73 56 27 C +ATOM 415 CG ARG A 49 5.098 11.838 -5.568 1.00 4.85 C +ANISOU 415 CG ARG A 49 675 538 628 89 113 80 C +ATOM 416 CD ARG A 49 4.743 12.901 -4.491 1.00 5.30 C +ANISOU 416 CD ARG A 49 711 532 769 10 98 38 C +ATOM 417 NE ARG A 49 5.896 13.148 -3.648 1.00 5.03 N +ANISOU 417 NE ARG A 49 663 481 767 -96 119 -41 N +ATOM 418 CZ ARG A 49 6.312 12.346 -2.665 1.00 4.50 C +ANISOU 418 CZ ARG A 49 483 621 606 -114 237 -16 C +ATOM 419 NH1 ARG A 49 5.621 11.230 -2.364 1.00 4.61 N +ANISOU 419 NH1 ARG A 49 426 502 825 -31 289 -55 N +ATOM 420 NH2 ARG A 49 7.412 12.632 -1.956 1.00 5.50 N +ANISOU 420 NH2 ARG A 49 484 683 920 63 58 -184 N +ATOM 421 N ASN A 50 6.459 9.799 -7.478 1.00 4.47 N +ANISOU 421 N ASN A 50 556 560 582 82 231 -7 N +ATOM 422 CA ASN A 50 7.773 9.844 -8.100 1.00 4.41 C +ANISOU 422 CA ASN A 50 603 464 610 14 221 69 C +ATOM 423 C ASN A 50 8.145 8.536 -8.786 1.00 4.91 C +ANISOU 423 C ASN A 50 524 677 663 104 176 -97 C +ATOM 424 O ASN A 50 9.189 8.384 -9.414 1.00 6.36 O +ANISOU 424 O ASN A 50 732 743 942 129 358 -123 O +ATOM 425 CB ASN A 50 8.847 10.263 -7.081 1.00 4.93 C +ANISOU 425 CB ASN A 50 512 664 697 79 279 -80 C +ATOM 426 CG ASN A 50 8.598 11.645 -6.571 1.00 5.19 C +ANISOU 426 CG ASN A 50 650 534 789 -177 169 4 C +ATOM 427 OD1 ASN A 50 8.280 12.548 -7.357 1.00 6.52 O +ANISOU 427 OD1 ASN A 50 915 659 904 -96 126 75 O +ATOM 428 ND2 ASN A 50 8.703 11.820 -5.278 1.00 5.43 N +ANISOU 428 ND2 ASN A 50 635 622 806 18 259 -118 N +ATOM 429 N ILE A 51 7.267 7.522 -8.678 1.00 4.69 N +ANISOU 429 N ILE A 51 792 521 470 83 154 -34 N +ATOM 430 CA ILE A 51 7.434 6.221 -9.303 1.00 4.95 C +ANISOU 430 CA ILE A 51 626 583 671 121 17 -19 C +ATOM 431 C ILE A 51 6.668 6.178 -10.613 1.00 4.23 C +ANISOU 431 C ILE A 51 528 465 614 57 131 -44 C +ATOM 432 O ILE A 51 7.191 5.712 -11.632 1.00 5.19 O +ANISOU 432 O ILE A 51 776 598 596 107 255 13 O +ATOM 433 CB ILE A 51 7.054 5.132 -8.289 1.00 4.62 C +ANISOU 433 CB ILE A 51 690 425 641 313 231 -48 C +ATOM 434 CG1 ILE A 51 8.110 5.102 -7.150 1.00 5.86 C +ANISOU 434 CG1 ILE A 51 1089 451 684 91 43 13 C +ATOM 435 CG2 ILE A 51 6.937 3.759 -8.911 1.00 4.66 C +ANISOU 435 CG2 ILE A 51 557 610 605 91 318 -125 C +ATOM 436 CD1 ILE A 51 7.647 4.342 -5.926 1.00 6.48 C +ANISOU 436 CD1 ILE A 51 911 769 783 60 79 128 C +ATOM 437 N ILE A 52 5.416 6.644 -10.591 1.00 4.51 N +ANISOU 437 N ILE A 52 558 571 585 157 127 54 N +ATOM 438 CA ILE A 52 4.591 6.655 -11.808 1.00 4.51 C +ANISOU 438 CA ILE A 52 568 531 616 81 123 50 C +ATOM 439 C ILE A 52 5.302 7.258 -13.001 1.00 4.70 C +ANISOU 439 C ILE A 52 763 487 534 160 107 39 C +ATOM 440 O ILE A 52 5.139 6.719 -14.102 1.00 5.31 O +ANISOU 440 O ILE A 52 770 648 599 217 155 -107 O +ATOM 441 CB ILE A 52 3.242 7.315 -11.483 1.00 4.99 C +ANISOU 441 CB ILE A 52 555 552 791 99 76 -82 C +ATOM 442 CG1 ILE A 52 2.370 6.386 -10.613 1.00 6.14 C +ANISOU 442 CG1 ILE A 52 815 712 804 -94 325 -273 C +ATOM 443 CG2 ILE A 52 2.547 7.741 -12.776 1.00 6.19 C +ANISOU 443 CG2 ILE A 52 798 818 736 372 51 -216 C +ATOM 444 CD1 ILE A 52 1.149 7.013 -10.012 1.00 7.03 C +ANISOU 444 CD1 ILE A 52 696 1301 674 231 174 91 C +ATOM 445 N PRO A 53 6.025 8.372 -12.883 1.00 4.95 N +ANISOU 445 N PRO A 53 750 570 562 62 110 63 N +ATOM 446 CA PRO A 53 6.640 8.959 -14.101 1.00 5.20 C +ANISOU 446 CA PRO A 53 840 522 616 200 161 101 C +ATOM 447 C PRO A 53 7.574 8.033 -14.826 1.00 5.15 C +ANISOU 447 C PRO A 53 723 617 618 182 164 106 C +ATOM 448 O PRO A 53 7.803 8.242 -16.056 1.00 5.68 O +ANISOU 448 O PRO A 53 1004 569 586 65 196 104 O +ATOM 449 CB PRO A 53 7.360 10.179 -13.581 1.00 6.79 C +ANISOU 449 CB PRO A 53 1261 584 734 -38 308 61 C +ATOM 450 CG PRO A 53 6.516 10.567 -12.366 1.00 6.88 C +ANISOU 450 CG PRO A 53 1240 498 877 122 290 16 C +ATOM 451 CD PRO A 53 6.204 9.255 -11.715 1.00 6.16 C +ANISOU 451 CD PRO A 53 1059 641 642 -90 184 -2 C +ATOM 452 N HIS A 54 8.151 7.040 -14.147 1.00 4.99 N +ANISOU 452 N HIS A 54 720 550 628 192 23 46 N +ATOM 453 CA HIS A 54 9.004 6.091 -14.854 1.00 5.00 C +ANISOU 453 CA HIS A 54 822 458 618 95 119 116 C +ATOM 454 C HIS A 54 8.240 5.083 -15.692 1.00 4.09 C +ANISOU 454 C HIS A 54 734 333 487 130 92 195 C +ATOM 455 O HIS A 54 8.763 4.518 -16.674 1.00 5.84 O +ANISOU 455 O HIS A 54 964 495 758 122 318 2 O +ATOM 456 CB HIS A 54 9.840 5.317 -13.812 1.00 5.57 C +ANISOU 456 CB HIS A 54 668 774 674 258 24 64 C +ATOM 457 CG HIS A 54 10.868 6.138 -13.115 1.00 5.74 C +ANISOU 457 CG HIS A 54 738 676 768 194 123 65 C +ATOM 458 ND1 HIS A 54 12.176 6.170 -13.582 1.00 8.22 N +ANISOU 458 ND1 HIS A 54 771 1345 1005 -85 187 -1 N +ATOM 459 CD2 HIS A 54 10.768 6.954 -12.037 1.00 6.57 C +ANISOU 459 CD2 HIS A 54 1073 439 984 -19 178 -3 C +ATOM 460 CE1 HIS A 54 12.853 6.994 -12.792 1.00 8.43 C +ANISOU 460 CE1 HIS A 54 975 1274 954 -158 59 95 C +ATOM 461 NE2 HIS A 54 12.045 7.463 -11.860 1.00 8.00 N +ANISOU 461 NE2 HIS A 54 1181 897 963 -195 54 65 N +ATOM 462 N VAL A 55 7.007 4.791 -15.298 1.00 4.77 N +ANISOU 462 N VAL A 55 766 570 476 77 121 77 N +ATOM 463 CA VAL A 55 6.172 3.746 -15.879 1.00 5.20 C +ANISOU 463 CA VAL A 55 701 661 612 69 67 -73 C +ATOM 464 C VAL A 55 5.204 4.251 -16.929 1.00 5.09 C +ANISOU 464 C VAL A 55 570 546 819 46 110 -34 C +ATOM 465 O VAL A 55 4.995 3.630 -17.976 1.00 5.71 O +ANISOU 465 O VAL A 55 876 654 641 111 85 -64 O +ATOM 466 CB VAL A 55 5.426 3.020 -14.744 1.00 4.94 C +ANISOU 466 CB VAL A 55 547 462 867 247 287 -53 C +ATOM 467 CG1 VAL A 55 4.493 1.952 -15.296 1.00 6.45 C +ANISOU 467 CG1 VAL A 55 814 632 1003 61 263 -3 C +ATOM 468 CG2 VAL A 55 6.423 2.426 -13.771 1.00 5.91 C +ANISOU 468 CG2 VAL A 55 871 508 868 196 240 114 C +ATOM 469 N ALA A 56 4.632 5.427 -16.690 1.00 5.40 N +ANISOU 469 N ALA A 56 915 534 602 103 -22 -90 N +ATOM 470 CA ALA A 56 3.693 6.087 -17.596 1.00 5.30 C +ANISOU 470 CA ALA A 56 739 535 740 16 133 71 C +ATOM 471 C ALA A 56 4.163 6.169 -19.051 1.00 5.52 C +ANISOU 471 C ALA A 56 841 594 663 135 79 -40 C +ATOM 472 O ALA A 56 3.280 6.079 -19.919 1.00 6.32 O +ANISOU 472 O ALA A 56 851 707 844 310 -12 -137 O +ATOM 473 CB ALA A 56 3.335 7.458 -17.047 1.00 6.37 C +ANISOU 473 CB ALA A 56 914 759 748 306 42 -101 C +ATOM 474 N PRO A 57 5.406 6.363 -19.366 1.00 5.49 N +ANISOU 474 N PRO A 57 786 657 644 73 173 40 N +ATOM 475 CA PRO A 57 5.818 6.408 -20.783 1.00 6.40 C +ANISOU 475 CA PRO A 57 1070 731 631 31 118 160 C +ATOM 476 C PRO A 57 5.401 5.185 -21.565 1.00 6.17 C +ANISOU 476 C PRO A 57 1037 755 554 14 216 109 C +ATOM 477 O PRO A 57 5.123 5.290 -22.747 1.00 7.11 O +ANISOU 477 O PRO A 57 1387 719 596 163 111 94 O +ATOM 478 CB PRO A 57 7.354 6.566 -20.717 1.00 6.74 C +ANISOU 478 CB PRO A 57 1058 888 614 -102 319 176 C +ATOM 479 CG PRO A 57 7.544 7.369 -19.457 1.00 6.75 C +ANISOU 479 CG PRO A 57 842 935 787 -63 276 83 C +ATOM 480 CD PRO A 57 6.563 6.711 -18.511 1.00 5.82 C +ANISOU 480 CD PRO A 57 894 722 595 50 135 130 C +ATOM 481 N SER A 58 5.381 4.012 -20.946 1.00 5.71 N +ANISOU 481 N SER A 58 880 751 538 -9 21 99 N +ATOM 482 CA SER A 58 5.145 2.765 -21.626 1.00 5.98 C +ANISOU 482 CA SER A 58 839 803 629 -28 130 -12 C +ATOM 483 C SER A 58 3.800 2.135 -21.273 1.00 5.91 C +ANISOU 483 C SER A 58 957 700 589 -25 178 48 C +ATOM 484 O SER A 58 3.299 1.334 -22.080 1.00 6.53 O +ANISOU 484 O SER A 58 865 771 843 -93 215 -144 O +ATOM 485 CB SER A 58 6.244 1.733 -21.364 1.00 7.24 C +ANISOU 485 CB SER A 58 1028 944 780 121 107 -1 C +ATOM 486 OG SER A 58 6.322 1.433 -19.970 1.00 6.24 O +ANISOU 486 OG SER A 58 991 638 741 208 239 -40 O +ATOM 487 N HIS A 59 3.251 2.453 -20.117 1.00 5.32 N +ANISOU 487 N HIS A 59 777 546 701 118 202 57 N +ATOM 488 CA HIS A 59 2.074 1.741 -19.598 1.00 5.03 C +ANISOU 488 CA HIS A 59 742 498 673 35 163 -1 C +ATOM 489 C HIS A 59 1.118 2.680 -18.902 1.00 5.68 C +ANISOU 489 C HIS A 59 800 744 613 204 73 -29 C +ATOM 490 O HIS A 59 1.526 3.628 -18.237 1.00 6.19 O +ANISOU 490 O HIS A 59 860 682 808 36 219 -71 O +ATOM 491 CB HIS A 59 2.474 0.654 -18.566 1.00 5.39 C +ANISOU 491 CB HIS A 59 764 581 704 62 192 8 C +ATOM 492 CG HIS A 59 3.141 -0.536 -19.202 1.00 5.70 C +ANISOU 492 CG HIS A 59 879 686 601 161 96 -20 C +ATOM 493 ND1 HIS A 59 4.453 -0.458 -19.656 1.00 6.32 N +ANISOU 493 ND1 HIS A 59 934 634 832 250 213 -167 N +ATOM 494 CD2 HIS A 59 2.680 -1.759 -19.477 1.00 6.30 C +ANISOU 494 CD2 HIS A 59 1018 577 797 233 -3 35 C +ATOM 495 CE1 HIS A 59 4.728 -1.640 -20.192 1.00 6.77 C +ANISOU 495 CE1 HIS A 59 1108 476 990 138 188 -143 C +ATOM 496 NE2 HIS A 59 3.684 -2.462 -20.104 1.00 6.53 N +ANISOU 496 NE2 HIS A 59 775 627 1078 213 -43 -45 N +ATOM 497 N ARG A 60 -0.156 2.328 -18.991 1.00 5.41 N +ANISOU 497 N ARG A 60 798 627 629 263 48 -202 N +ATOM 498 CA ARG A 60 -1.139 3.025 -18.166 1.00 4.90 C +ANISOU 498 CA ARG A 60 811 441 610 139 144 -47 C +ATOM 499 C ARG A 60 -0.801 2.807 -16.691 1.00 4.59 C +ANISOU 499 C ARG A 60 719 412 612 56 122 6 C +ATOM 500 O ARG A 60 -0.476 1.688 -16.308 1.00 5.94 O +ANISOU 500 O ARG A 60 939 508 809 236 68 62 O +ATOM 501 CB ARG A 60 -2.516 2.480 -18.458 1.00 5.48 C +ANISOU 501 CB ARG A 60 797 563 723 84 47 -7 C +ATOM 502 CG ARG A 60 -3.676 3.224 -17.827 1.00 6.42 C +ANISOU 502 CG ARG A 60 821 902 717 227 35 28 C +ATOM 503 CD ARG A 60 -4.991 2.647 -18.353 1.00 7.11 C +ANISOU 503 CD ARG A 60 778 695 1228 307 -13 -103 C +ATOM 504 NE ARG A 60 -6.137 3.304 -17.753 1.00 6.83 N +ANISOU 504 NE ARG A 60 845 725 1024 106 135 -226 N +ATOM 505 CZ ARG A 60 -7.382 2.800 -17.844 1.00 8.51 C +ANISOU 505 CZ ARG A 60 832 987 1416 31 219 -372 C +ATOM 506 NH1 ARG A 60 -7.593 1.652 -18.487 1.00 8.83 N +ANISOU 506 NH1 ARG A 60 1118 1015 1223 -68 53 -383 N +ATOM 507 NH2 ARG A 60 -8.378 3.450 -17.276 1.00 9.67 N +ANISOU 507 NH2 ARG A 60 877 1236 1561 147 247 -447 N +ATOM 508 N CYS A 61 -0.933 3.857 -15.915 1.00 5.68 N +ANISOU 508 N CYS A 61 1029 488 640 119 21 -4 N +ATOM 509 CA CYS A 61 -0.753 3.830 -14.471 1.00 5.12 C +ANISOU 509 CA CYS A 61 858 499 588 72 246 -9 C +ATOM 510 C CYS A 61 -2.059 4.239 -13.823 1.00 5.27 C +ANISOU 510 C CYS A 61 679 495 829 138 155 16 C +ATOM 511 O CYS A 61 -2.552 5.349 -14.096 1.00 6.17 O +ANISOU 511 O CYS A 61 811 606 929 110 239 158 O +ATOM 512 CB CYS A 61 0.348 4.798 -14.045 1.00 5.53 C +ANISOU 512 CB CYS A 61 684 732 687 76 154 -7 C +ATOM 513 SG CYS A 61 1.965 4.383 -14.711 1.00 6.26 S +ANISOU 513 SG CYS A 61 798 760 821 71 261 -50 S +ATOM 514 N ILE A 62 -2.615 3.364 -13.005 1.00 4.59 N +ANISOU 514 N ILE A 62 621 460 662 247 169 -32 N +ATOM 515 CA ILE A 62 -3.836 3.603 -12.258 1.00 4.27 C +ANISOU 515 CA ILE A 62 646 334 644 171 155 -67 C +ATOM 516 C ILE A 62 -3.485 3.536 -10.777 1.00 4.36 C +ANISOU 516 C ILE A 62 452 548 657 238 134 -18 C +ATOM 517 O ILE A 62 -2.982 2.522 -10.328 1.00 4.83 O +ANISOU 517 O ILE A 62 478 635 724 200 53 38 O +ATOM 518 CB ILE A 62 -4.939 2.614 -12.614 1.00 4.81 C +ANISOU 518 CB ILE A 62 792 385 651 32 242 -64 C +ATOM 519 CG1 ILE A 62 -5.187 2.569 -14.116 1.00 7.88 C +ANISOU 519 CG1 ILE A 62 896 1399 697 -338 177 -106 C +ATOM 520 CG2 ILE A 62 -6.212 2.920 -11.815 1.00 7.12 C +ANISOU 520 CG2 ILE A 62 719 1093 893 -12 299 -136 C +ATOM 521 CD1 ILE A 62 -6.145 1.481 -14.553 1.00 7.67 C +ANISOU 521 CD1 ILE A 62 944 1176 794 -218 204 -283 C +ATOM 522 N ALA A 63 -3.734 4.607 -10.013 1.00 4.29 N +ANISOU 522 N ALA A 63 519 563 550 113 127 -33 N +ATOM 523 CA ALA A 63 -3.369 4.624 -8.600 1.00 4.61 C +ANISOU 523 CA ALA A 63 570 493 688 142 78 -61 C +ATOM 524 C ALA A 63 -4.568 5.166 -7.813 1.00 4.68 C +ANISOU 524 C ALA A 63 654 477 647 82 205 -106 C +ATOM 525 O ALA A 63 -4.702 6.374 -7.678 1.00 5.08 O +ANISOU 525 O ALA A 63 814 433 682 106 156 -33 O +ATOM 526 CB ALA A 63 -2.101 5.445 -8.362 1.00 4.54 C +ANISOU 526 CB ALA A 63 612 650 464 82 194 -166 C +ATOM 527 N PRO A 64 -5.439 4.287 -7.311 1.00 4.61 N +ANISOU 527 N PRO A 64 655 355 740 169 237 -46 N +ATOM 528 CA PRO A 64 -6.547 4.755 -6.503 1.00 4.75 C +ANISOU 528 CA PRO A 64 670 558 576 211 151 9 C +ATOM 529 C PRO A 64 -6.114 5.163 -5.105 1.00 4.38 C +ANISOU 529 C PRO A 64 467 492 704 113 55 -133 C +ATOM 530 O PRO A 64 -5.175 4.642 -4.512 1.00 5.45 O +ANISOU 530 O PRO A 64 661 785 624 246 96 -54 O +ATOM 531 CB PRO A 64 -7.454 3.511 -6.415 1.00 4.84 C +ANISOU 531 CB PRO A 64 578 720 541 29 98 -180 C +ATOM 532 CG PRO A 64 -6.491 2.360 -6.521 1.00 5.08 C +ANISOU 532 CG PRO A 64 476 556 899 -78 70 -13 C +ATOM 533 CD PRO A 64 -5.443 2.821 -7.499 1.00 5.15 C +ANISOU 533 CD PRO A 64 816 462 679 69 258 -115 C +ATOM 534 N ASP A 65 -6.901 6.056 -4.524 1.00 4.75 N +ANISOU 534 N ASP A 65 787 403 615 132 197 -6 N +ATOM 535 CA ASP A 65 -6.919 6.315 -3.108 1.00 4.38 C +ANISOU 535 CA ASP A 65 516 521 628 169 145 -57 C +ATOM 536 C ASP A 65 -7.951 5.399 -2.478 1.00 4.58 C +ANISOU 536 C ASP A 65 539 612 589 65 107 -119 C +ATOM 537 O ASP A 65 -9.117 5.408 -2.861 1.00 5.09 O +ANISOU 537 O ASP A 65 445 628 861 157 145 -107 O +ATOM 538 CB ASP A 65 -7.245 7.774 -2.859 1.00 4.78 C +ANISOU 538 CB ASP A 65 534 553 728 77 174 -177 C +ATOM 539 CG ASP A 65 -6.163 8.739 -3.316 1.00 4.78 C +ANISOU 539 CG ASP A 65 658 518 639 101 185 10 C +ATOM 540 OD1 ASP A 65 -5.028 8.316 -3.504 1.00 5.29 O +ANISOU 540 OD1 ASP A 65 537 668 805 77 141 14 O +ATOM 541 OD2 ASP A 65 -6.510 9.939 -3.459 1.00 5.90 O +ANISOU 541 OD2 ASP A 65 760 534 950 143 208 15 O +ATOM 542 N LEU A 66 -7.514 4.592 -1.528 1.00 4.22 N +ANISOU 542 N LEU A 66 357 611 635 23 193 -73 N +ATOM 543 CA LEU A 66 -8.438 3.669 -0.867 1.00 4.26 C +ANISOU 543 CA LEU A 66 381 511 726 60 224 -88 C +ATOM 544 C LEU A 66 -9.568 4.476 -0.252 1.00 4.38 C +ANISOU 544 C LEU A 66 375 579 710 47 181 -175 C +ATOM 545 O LEU A 66 -9.432 5.639 0.105 1.00 4.73 O +ANISOU 545 O LEU A 66 538 574 685 68 206 -150 O +ATOM 546 CB LEU A 66 -7.689 2.882 0.176 1.00 5.07 C +ANISOU 546 CB LEU A 66 622 603 700 74 230 -12 C +ATOM 547 CG LEU A 66 -6.558 1.954 -0.290 1.00 5.46 C +ANISOU 547 CG LEU A 66 610 413 1052 126 189 62 C +ATOM 548 CD1 LEU A 66 -5.970 1.229 0.908 1.00 5.85 C +ANISOU 548 CD1 LEU A 66 533 725 963 75 223 16 C +ATOM 549 CD2 LEU A 66 -7.048 0.979 -1.314 1.00 5.93 C +ANISOU 549 CD2 LEU A 66 774 467 1014 175 184 17 C +ATOM 550 N ILE A 67 -10.731 3.822 -0.101 1.00 4.57 N +ANISOU 550 N ILE A 67 376 562 799 76 194 -213 N +ATOM 551 CA ILE A 67 -11.860 4.471 0.509 1.00 4.70 C +ANISOU 551 CA ILE A 67 391 631 765 111 200 -117 C +ATOM 552 C ILE A 67 -11.481 5.012 1.877 1.00 4.82 C +ANISOU 552 C ILE A 67 286 760 785 65 234 -181 C +ATOM 553 O ILE A 67 -10.734 4.402 2.648 1.00 5.22 O +ANISOU 553 O ILE A 67 431 764 788 -59 149 7 O +ATOM 554 CB ILE A 67 -13.084 3.529 0.564 1.00 5.43 C +ANISOU 554 CB ILE A 67 371 636 1056 54 155 -112 C +ATOM 555 CG1 ILE A 67 -14.396 4.265 0.830 1.00 5.59 C +ANISOU 555 CG1 ILE A 67 442 498 1184 24 290 -164 C +ATOM 556 CG2 ILE A 67 -12.937 2.380 1.555 1.00 5.79 C +ANISOU 556 CG2 ILE A 67 436 637 1125 41 138 -107 C +ATOM 557 CD1 ILE A 67 -14.813 5.263 -0.226 1.00 6.94 C +ANISOU 557 CD1 ILE A 67 535 911 1193 236 -68 -215 C +ATOM 558 N GLY A 68 -11.956 6.218 2.195 1.00 5.15 N +ANISOU 558 N GLY A 68 445 774 738 73 135 -165 N +ATOM 559 CA GLY A 68 -11.622 6.922 3.406 1.00 5.45 C +ANISOU 559 CA GLY A 68 566 852 651 -19 178 -155 C +ATOM 560 C GLY A 68 -10.262 7.552 3.443 1.00 4.79 C +ANISOU 560 C GLY A 68 491 636 693 120 231 -155 C +ATOM 561 O GLY A 68 -9.860 8.073 4.495 1.00 6.47 O +ANISOU 561 O GLY A 68 654 1043 760 -30 186 -266 O +ATOM 562 N MET A 69 -9.508 7.483 2.357 1.00 4.70 N +ANISOU 562 N MET A 69 480 553 754 135 244 -215 N +ATOM 563 CA MET A 69 -8.135 7.971 2.314 1.00 4.46 C +ANISOU 563 CA MET A 69 483 519 691 85 191 -42 C +ATOM 564 C MET A 69 -7.902 8.880 1.123 1.00 4.03 C +ANISOU 564 C MET A 69 406 402 722 182 97 -102 C +ATOM 565 O MET A 69 -8.682 8.893 0.172 1.00 4.96 O +ANISOU 565 O MET A 69 551 573 760 47 38 -63 O +ATOM 566 CB AMET A 69 -7.198 6.762 2.304 0.65 4.99 C +ANISOU 566 CB AMET A 69 480 634 782 174 -19 86 C +ATOM 567 CB BMET A 69 -7.219 6.757 2.188 0.35 4.94 C +ANISOU 567 CB BMET A 69 387 313 1175 -65 324 83 C +ATOM 568 CG AMET A 69 -7.422 5.909 3.529 0.65 3.79 C +ANISOU 568 CG AMET A 69 251 373 818 18 110 -61 C +ATOM 569 CG BMET A 69 -7.616 5.591 3.075 0.35 8.04 C +ANISOU 569 CG BMET A 69 1483 475 1098 -261 222 206 C +ATOM 570 SD AMET A 69 -6.287 4.511 3.622 0.65 3.20 S +ANISOU 570 SD AMET A 69 361 283 570 101 188 -87 S +ATOM 571 SD BMET A 69 -6.804 5.697 4.679 0.35 12.27 S +ANISOU 571 SD BMET A 69 1729 1575 1358 -437 -81 458 S +ATOM 572 CE AMET A 69 -4.882 5.369 4.386 0.65 2.52 C +ANISOU 572 CE AMET A 69 228 325 404 61 254 124 C +ATOM 573 CE BMET A 69 -5.080 5.493 4.221 0.35 16.47 C +ANISOU 573 CE BMET A 69 1896 3283 1080 406 -196 -205 C +ATOM 574 N GLY A 70 -6.818 9.637 1.160 1.00 4.42 N +ANISOU 574 N GLY A 70 539 445 694 -30 100 -94 N +ATOM 575 CA GLY A 70 -6.506 10.483 -0.011 1.00 5.12 C +ANISOU 575 CA GLY A 70 699 670 574 23 54 -56 C +ATOM 576 C GLY A 70 -7.648 11.430 -0.301 1.00 5.03 C +ANISOU 576 C GLY A 70 472 597 843 -85 16 -75 C +ATOM 577 O GLY A 70 -8.214 12.050 0.600 1.00 5.82 O +ANISOU 577 O GLY A 70 696 671 844 -26 197 -18 O +ATOM 578 N LYS A 71 -7.939 11.548 -1.598 1.00 4.48 N +ANISOU 578 N LYS A 71 514 403 785 52 147 -42 N +ATOM 579 CA LYS A 71 -9.038 12.386 -2.072 1.00 5.24 C +ANISOU 579 CA LYS A 71 683 506 801 164 48 -68 C +ATOM 580 C LYS A 71 -10.337 11.613 -2.230 1.00 4.76 C +ANISOU 580 C LYS A 71 664 585 561 165 11 21 C +ATOM 581 O LYS A 71 -11.298 12.158 -2.733 1.00 6.56 O +ANISOU 581 O LYS A 71 663 796 1033 238 -5 -20 O +ATOM 582 CB LYS A 71 -8.614 13.035 -3.405 1.00 6.79 C +ANISOU 582 CB LYS A 71 1062 531 985 -117 -71 118 C +ATOM 583 CG LYS A 71 -7.326 13.851 -3.320 1.00 9.96 C +ANISOU 583 CG LYS A 71 1301 1221 1261 -527 -144 191 C +ATOM 584 CD LYS A 71 -7.041 14.523 -4.674 1.00 11.20 C +ANISOU 584 CD LYS A 71 1431 1363 1460 -718 -407 469 C +ATOM 585 CE LYS A 71 -5.641 15.083 -4.726 1.00 11.55 C +ANISOU 585 CE LYS A 71 1267 1463 1658 -468 152 103 C +ATOM 586 NZ LYS A 71 -5.343 15.791 -6.015 1.00 11.59 N +ANISOU 586 NZ LYS A 71 1397 1415 1593 -35 481 11 N +ATOM 587 N SER A 72 -10.363 10.344 -1.825 1.00 5.09 N +ANISOU 587 N SER A 72 557 558 819 85 47 -110 N +ATOM 588 CA SER A 72 -11.610 9.581 -1.874 1.00 5.59 C +ANISOU 588 CA SER A 72 559 656 909 93 86 -86 C +ATOM 589 C SER A 72 -12.564 10.051 -0.784 1.00 5.86 C +ANISOU 589 C SER A 72 581 580 1064 184 149 -100 C +ATOM 590 O SER A 72 -12.203 10.700 0.202 1.00 6.23 O +ANISOU 590 O SER A 72 604 884 879 109 71 -98 O +ATOM 591 CB SER A 72 -11.314 8.098 -1.799 1.00 5.43 C +ANISOU 591 CB SER A 72 574 597 890 54 146 -157 C +ATOM 592 OG SER A 72 -10.617 7.688 -2.949 1.00 6.00 O +ANISOU 592 OG SER A 72 586 858 837 97 174 -215 O +ATOM 593 N ASP A 73 -13.836 9.704 -0.973 1.00 6.19 N +ANISOU 593 N ASP A 73 572 799 981 124 108 -233 N +ATOM 594 CA ASP A 73 -14.854 10.051 -0.016 1.00 6.32 C +ANISOU 594 CA ASP A 73 579 969 854 7 108 -269 C +ATOM 595 C ASP A 73 -14.659 9.277 1.267 1.00 7.11 C +ANISOU 595 C ASP A 73 728 936 1038 228 201 -199 C +ATOM 596 O ASP A 73 -13.886 8.336 1.362 1.00 7.05 O +ANISOU 596 O ASP A 73 658 824 1195 62 283 -106 O +ATOM 597 CB ASP A 73 -16.273 9.776 -0.559 1.00 8.20 C +ANISOU 597 CB ASP A 73 515 1143 1456 42 13 -135 C +ATOM 598 CG ASP A 73 -16.752 10.785 -1.571 1.00 9.59 C +ANISOU 598 CG ASP A 73 784 1113 1746 468 -198 -300 C +ATOM 599 OD1 ASP A 73 -16.135 11.835 -1.739 1.00 11.76 O +ANISOU 599 OD1 ASP A 73 1363 1099 2007 395 -244 -27 O +ATOM 600 OD2 ASP A 73 -17.806 10.511 -2.213 1.00 12.34 O +ANISOU 600 OD2 ASP A 73 1073 1768 1847 527 -473 -467 O +ATOM 601 N LYS A 74 -15.355 9.706 2.295 1.00 6.99 N +ANISOU 601 N LYS A 74 824 844 989 319 303 99 N +ATOM 602 CA LYS A 74 -15.219 9.306 3.659 1.00 9.06 C +ANISOU 602 CA LYS A 74 1190 1225 1028 -127 116 208 C +ATOM 603 C LYS A 74 -16.559 8.814 4.251 1.00 8.24 C +ANISOU 603 C LYS A 74 1164 1114 855 22 271 9 C +ATOM 604 O LYS A 74 -17.121 9.437 5.162 1.00 10.91 O +ANISOU 604 O LYS A 74 1620 1126 1400 228 551 -98 O +ATOM 605 CB LYS A 74 -14.758 10.455 4.535 1.00 14.46 C +ANISOU 605 CB LYS A 74 2343 2069 1082 -1062 201 -1 C +ATOM 606 CG LYS A 74 -13.461 11.058 4.056 1.00 11.21 C +ANISOU 606 CG LYS A 74 1367 1573 1321 -265 -350 233 C +ATOM 607 CD LYS A 74 -13.087 12.218 4.983 1.00 10.97 C +ANISOU 607 CD LYS A 74 1080 1511 1578 -129 -80 74 C +ATOM 608 CE LYS A 74 -11.794 12.887 4.570 1.00 10.39 C +ANISOU 608 CE LYS A 74 713 1497 1736 82 -190 -107 C +ATOM 609 NZ LYS A 74 -10.679 11.896 4.573 1.00 10.23 N +ANISOU 609 NZ LYS A 74 1270 1242 1375 309 42 23 N +ATOM 610 N PRO A 75 -17.046 7.705 3.774 1.00 7.99 N +ANISOU 610 N PRO A 75 573 1011 1451 282 212 -80 N +ATOM 611 CA PRO A 75 -18.214 7.100 4.432 1.00 8.32 C +ANISOU 611 CA PRO A 75 406 1177 1579 357 197 86 C +ATOM 612 C PRO A 75 -17.809 6.806 5.862 1.00 8.18 C +ANISOU 612 C PRO A 75 690 928 1489 317 247 -77 C +ATOM 613 O PRO A 75 -16.636 6.591 6.257 1.00 8.88 O +ANISOU 613 O PRO A 75 720 1347 1308 350 207 14 O +ATOM 614 CB PRO A 75 -18.475 5.844 3.595 1.00 9.49 C +ANISOU 614 CB PRO A 75 699 1547 1360 -115 100 152 C +ATOM 615 CG PRO A 75 -17.166 5.560 2.965 1.00 8.44 C +ANISOU 615 CG PRO A 75 935 1078 1194 15 175 -89 C +ATOM 616 CD PRO A 75 -16.565 6.896 2.637 1.00 8.17 C +ANISOU 616 CD PRO A 75 658 1062 1386 47 226 -157 C +ATOM 617 N ASP A 76 -18.793 6.770 6.742 1.00 9.65 N +ANISOU 617 N ASP A 76 714 1402 1552 301 314 -38 N +ATOM 618 CA ASP A 76 -18.543 6.474 8.157 1.00 9.03 C +ANISOU 618 CA ASP A 76 768 1122 1539 273 266 -72 C +ATOM 619 C ASP A 76 -18.549 4.973 8.330 1.00 9.51 C +ANISOU 619 C ASP A 76 1128 1079 1405 127 680 -256 C +ATOM 620 O ASP A 76 -19.540 4.394 8.758 1.00 15.03 O +ANISOU 620 O ASP A 76 1580 1356 2776 97 1292 41 O +ATOM 621 CB ASP A 76 -19.632 7.111 9.027 1.00 12.72 C +ANISOU 621 CB ASP A 76 1614 1365 1855 477 667 -343 C +ATOM 622 CG ASP A 76 -19.311 7.017 10.484 1.00 14.47 C +ANISOU 622 CG ASP A 76 1737 1910 1849 595 596 -481 C +ATOM 623 OD1 ASP A 76 -18.222 6.559 10.883 1.00 20.15 O +ANISOU 623 OD1 ASP A 76 2330 3105 2223 1291 74 -920 O +ATOM 624 OD2 ASP A 76 -20.159 7.445 11.289 1.00 18.40 O +ANISOU 624 OD2 ASP A 76 2152 2735 2105 689 1115 -282 O +ATOM 625 N LEU A 77 -17.475 4.311 7.942 1.00 10.04 N +ANISOU 625 N LEU A 77 894 1044 1878 241 382 -56 N +ATOM 626 CA LEU A 77 -17.331 2.870 7.993 1.00 8.91 C +ANISOU 626 CA LEU A 77 850 1001 1535 14 245 -136 C +ATOM 627 C LEU A 77 -16.503 2.513 9.222 1.00 6.87 C +ANISOU 627 C LEU A 77 655 759 1195 142 545 -297 C +ATOM 628 O LEU A 77 -15.807 3.307 9.813 1.00 7.80 O +ANISOU 628 O LEU A 77 917 735 1312 1 271 4 O +ATOM 629 CB LEU A 77 -16.637 2.327 6.750 1.00 7.90 C +ANISOU 629 CB LEU A 77 992 778 1233 -97 117 -32 C +ATOM 630 CG LEU A 77 -17.221 2.739 5.382 1.00 9.19 C +ANISOU 630 CG LEU A 77 1088 936 1467 -62 -27 150 C +ATOM 631 CD1 LEU A 77 -16.395 2.085 4.275 1.00 9.55 C +ANISOU 631 CD1 LEU A 77 1580 935 1113 -53 -283 -53 C +ATOM 632 CD2 LEU A 77 -18.703 2.396 5.269 1.00 12.89 C +ANISOU 632 CD2 LEU A 77 1173 1200 2525 -174 -468 67 C +ATOM 633 N ASP A 78 -16.514 1.215 9.552 1.00 7.99 N +ANISOU 633 N ASP A 78 635 739 1663 125 408 -212 N +ATOM 634 CA ASP A 78 -15.518 0.685 10.472 1.00 7.96 C +ANISOU 634 CA ASP A 78 890 902 1234 106 428 -146 C +ATOM 635 C ASP A 78 -14.138 0.598 9.808 1.00 6.14 C +ANISOU 635 C ASP A 78 760 587 986 168 227 -62 C +ATOM 636 O ASP A 78 -13.117 0.601 10.478 1.00 7.53 O +ANISOU 636 O ASP A 78 914 1005 942 206 124 -112 O +ATOM 637 CB ASP A 78 -15.953 -0.714 10.955 1.00 9.23 C +ANISOU 637 CB ASP A 78 1013 1134 1361 -181 178 67 C +ATOM 638 CG ASP A 78 -17.168 -0.674 11.839 1.00 11.42 C +ANISOU 638 CG ASP A 78 1314 1126 1897 -252 563 -13 C +ATOM 639 OD1 ASP A 78 -17.364 0.251 12.636 1.00 22.31 O +ANISOU 639 OD1 ASP A 78 3272 2547 2659 -1678 2029 -1285 O +ATOM 640 OD2 ASP A 78 -17.967 -1.623 11.690 1.00 13.13 O +ANISOU 640 OD2 ASP A 78 1134 1503 2353 -397 409 -271 O +ATOM 641 N TYR A 79 -14.084 0.498 8.488 1.00 5.91 N +ANISOU 641 N TYR A 79 586 664 995 117 157 -66 N +ATOM 642 CA TYR A 79 -12.838 0.466 7.707 1.00 5.67 C +ANISOU 642 CA TYR A 79 604 642 908 39 162 -100 C +ATOM 643 C TYR A 79 -12.035 -0.787 8.050 1.00 5.44 C +ANISOU 643 C TYR A 79 583 595 889 22 273 -133 C +ATOM 644 O TYR A 79 -10.821 -0.774 8.056 1.00 6.40 O +ANISOU 644 O TYR A 79 636 810 986 101 284 -32 O +ATOM 645 CB TYR A 79 -12.031 1.734 7.872 1.00 5.87 C +ANISOU 645 CB TYR A 79 698 608 927 31 167 -100 C +ATOM 646 CG TYR A 79 -12.666 2.917 7.158 1.00 5.54 C +ANISOU 646 CG TYR A 79 540 738 826 47 150 -86 C +ATOM 647 CD1 TYR A 79 -12.540 3.026 5.785 1.00 5.81 C +ANISOU 647 CD1 TYR A 79 715 659 835 85 180 -161 C +ATOM 648 CD2 TYR A 79 -13.376 3.893 7.833 1.00 5.28 C +ANISOU 648 CD2 TYR A 79 587 666 751 41 149 -72 C +ATOM 649 CE1 TYR A 79 -13.093 4.066 5.087 1.00 5.89 C +ANISOU 649 CE1 TYR A 79 536 876 826 109 252 7 C +ATOM 650 CE2 TYR A 79 -13.937 4.945 7.136 1.00 5.46 C +ANISOU 650 CE2 TYR A 79 557 669 849 -41 98 -112 C +ATOM 651 CZ TYR A 79 -13.794 5.046 5.766 1.00 5.36 C +ANISOU 651 CZ TYR A 79 537 633 867 -9 225 59 C +ATOM 652 OH TYR A 79 -14.354 6.090 5.078 1.00 6.96 O +ANISOU 652 OH TYR A 79 820 655 1170 25 99 155 O +ATOM 653 N PHE A 80 -12.731 -1.896 8.284 1.00 6.65 N +ANISOU 653 N PHE A 80 794 561 1173 83 419 -43 N +ATOM 654 CA PHE A 80 -12.084 -3.192 8.278 1.00 5.65 C +ANISOU 654 CA PHE A 80 723 611 812 143 172 20 C +ATOM 655 C PHE A 80 -11.470 -3.462 6.906 1.00 5.93 C +ANISOU 655 C PHE A 80 791 658 803 121 100 -131 C +ATOM 656 O PHE A 80 -11.851 -2.888 5.886 1.00 5.76 O +ANISOU 656 O PHE A 80 692 660 838 129 232 25 O +ATOM 657 CB PHE A 80 -13.110 -4.275 8.591 1.00 7.05 C +ANISOU 657 CB PHE A 80 1006 513 1159 135 299 51 C +ATOM 658 CG PHE A 80 -13.530 -4.385 10.051 1.00 7.90 C +ANISOU 658 CG PHE A 80 1008 723 1268 -83 476 62 C +ATOM 659 CD1 PHE A 80 -12.744 -5.056 10.955 1.00 9.94 C +ANISOU 659 CD1 PHE A 80 1191 1510 1077 -111 404 205 C +ATOM 660 CD2 PHE A 80 -14.707 -3.849 10.488 1.00 13.16 C +ANISOU 660 CD2 PHE A 80 2028 1243 1730 764 974 51 C +ATOM 661 CE1 PHE A 80 -13.101 -5.191 12.267 1.00 10.47 C +ANISOU 661 CE1 PHE A 80 1570 1248 1161 -169 612 241 C +ATOM 662 CE2 PHE A 80 -15.094 -3.975 11.811 1.00 14.48 C +ANISOU 662 CE2 PHE A 80 2010 1771 1722 576 997 -190 C +ATOM 663 CZ PHE A 80 -14.288 -4.647 12.706 1.00 13.46 C +ANISOU 663 CZ PHE A 80 2074 1438 1603 69 976 47 C +ATOM 664 N PHE A 81 -10.512 -4.400 6.916 1.00 5.91 N +ANISOU 664 N PHE A 81 738 712 797 160 206 -6 N +ATOM 665 CA PHE A 81 -9.968 -4.868 5.644 1.00 5.83 C +ANISOU 665 CA PHE A 81 977 592 645 156 223 87 C +ATOM 666 C PHE A 81 -11.071 -5.259 4.662 1.00 6.81 C +ANISOU 666 C PHE A 81 951 858 779 -38 289 -72 C +ATOM 667 O PHE A 81 -11.022 -4.923 3.473 1.00 6.56 O +ANISOU 667 O PHE A 81 1007 794 692 241 211 -23 O +ATOM 668 CB PHE A 81 -9.037 -6.035 5.864 1.00 6.72 C +ANISOU 668 CB PHE A 81 1103 524 926 192 311 26 C +ATOM 669 CG PHE A 81 -8.404 -6.612 4.619 1.00 6.13 C +ANISOU 669 CG PHE A 81 917 516 895 224 170 51 C +ATOM 670 CD1 PHE A 81 -7.450 -5.879 3.949 1.00 6.24 C +ANISOU 670 CD1 PHE A 81 737 849 783 156 63 18 C +ATOM 671 CD2 PHE A 81 -8.749 -7.845 4.146 1.00 7.58 C +ANISOU 671 CD2 PHE A 81 1361 399 1121 300 387 -1 C +ATOM 672 CE1 PHE A 81 -6.840 -6.347 2.823 1.00 8.79 C +ANISOU 672 CE1 PHE A 81 998 1348 993 275 290 -83 C +ATOM 673 CE2 PHE A 81 -8.142 -8.341 3.006 1.00 8.71 C +ANISOU 673 CE2 PHE A 81 1365 875 1071 511 217 -187 C +ATOM 674 CZ PHE A 81 -7.173 -7.591 2.364 1.00 8.73 C +ANISOU 674 CZ PHE A 81 1295 1204 819 654 250 -118 C +ATOM 675 N ASP A 82 -12.091 -5.957 5.166 1.00 7.45 N +ANISOU 675 N ASP A 82 973 1010 845 15 346 39 N +ATOM 676 CA ASP A 82 -13.177 -6.368 4.282 1.00 7.93 C +ANISOU 676 CA ASP A 82 935 873 1206 -29 380 -224 C +ATOM 677 C ASP A 82 -13.857 -5.179 3.625 1.00 8.43 C +ANISOU 677 C ASP A 82 778 989 1439 -3 56 -292 C +ATOM 678 O ASP A 82 -14.343 -5.295 2.473 1.00 8.99 O +ANISOU 678 O ASP A 82 928 1221 1265 -41 184 -221 O +ATOM 679 CB AASP A 82 -14.214 -7.169 5.066 0.50 10.87 C +ANISOU 679 CB AASP A 82 1361 1169 1598 -340 751 -332 C +ATOM 680 CB BASP A 82 -14.136 -7.232 5.096 0.50 11.26 C +ANISOU 680 CB BASP A 82 1387 1425 1468 -465 427 -85 C +ATOM 681 CG AASP A 82 -15.281 -7.697 4.114 0.50 11.03 C +ANISOU 681 CG AASP A 82 1652 754 1786 -693 536 165 C +ATOM 682 CG BASP A 82 -13.720 -8.634 5.486 0.50 13.70 C +ANISOU 682 CG BASP A 82 1822 1316 2068 -619 454 114 C +ATOM 683 OD1AASP A 82 -14.936 -8.511 3.230 0.50 16.51 O +ANISOU 683 OD1AASP A 82 2228 1050 2996 -533 -44 -846 O +ATOM 684 OD1BASP A 82 -12.741 -9.232 4.972 0.50 16.50 O +ANISOU 684 OD1BASP A 82 2189 1981 2099 222 226 342 O +ATOM 685 OD2AASP A 82 -16.448 -7.281 4.278 0.50 19.63 O +ANISOU 685 OD2AASP A 82 1466 3025 2968 -550 465 -661 O +ATOM 686 OD2BASP A 82 -14.400 -9.229 6.363 0.50 18.85 O +ANISOU 686 OD2BASP A 82 3046 1564 2554 -801 981 270 O +ATOM 687 N ASP A 83 -13.968 -4.028 4.286 1.00 6.99 N +ANISOU 687 N ASP A 83 706 872 1078 3 152 -58 N +ATOM 688 CA ASP A 83 -14.511 -2.856 3.637 1.00 7.24 C +ANISOU 688 CA ASP A 83 706 950 1096 116 180 -171 C +ATOM 689 C ASP A 83 -13.640 -2.441 2.449 1.00 6.55 C +ANISOU 689 C ASP A 83 849 632 1008 340 146 -158 C +ATOM 690 O ASP A 83 -14.125 -2.130 1.354 1.00 7.99 O +ANISOU 690 O ASP A 83 1060 977 998 271 10 -175 O +ATOM 691 CB ASP A 83 -14.655 -1.684 4.621 1.00 8.09 C +ANISOU 691 CB ASP A 83 1051 1009 1012 358 72 -203 C +ATOM 692 CG ASP A 83 -15.692 -1.935 5.685 1.00 11.60 C +ANISOU 692 CG ASP A 83 885 1882 1639 152 411 -699 C +ATOM 693 OD1 ASP A 83 -16.757 -2.464 5.337 1.00 18.69 O +ANISOU 693 OD1 ASP A 83 906 4007 2189 -240 290 -1147 O +ATOM 694 OD2 ASP A 83 -15.451 -1.569 6.846 1.00 10.16 O +ANISOU 694 OD2 ASP A 83 1076 1451 1333 -74 522 -224 O +ATOM 695 N HIS A 84 -12.330 -2.418 2.694 1.00 5.85 N +ANISOU 695 N HIS A 84 730 356 1135 229 190 -119 N +ATOM 696 CA HIS A 84 -11.412 -2.050 1.608 1.00 6.64 C +ANISOU 696 CA HIS A 84 1018 529 977 -125 20 93 C +ATOM 697 C HIS A 84 -11.479 -3.031 0.438 1.00 6.06 C +ANISOU 697 C HIS A 84 755 700 848 69 23 93 C +ATOM 698 O HIS A 84 -11.374 -2.632 -0.711 1.00 6.55 O +ANISOU 698 O HIS A 84 807 784 898 -54 -3 157 O +ATOM 699 CB HIS A 84 -9.982 -1.927 2.141 1.00 6.29 C +ANISOU 699 CB HIS A 84 892 468 1031 -65 80 -29 C +ATOM 700 CG HIS A 84 -9.793 -0.707 2.967 1.00 5.41 C +ANISOU 700 CG HIS A 84 736 553 768 161 259 -121 C +ATOM 701 ND1 HIS A 84 -9.777 0.550 2.378 1.00 5.06 N +ANISOU 701 ND1 HIS A 84 618 574 730 67 253 -80 N +ATOM 702 CD2 HIS A 84 -9.670 -0.572 4.307 1.00 5.30 C +ANISOU 702 CD2 HIS A 84 560 561 893 227 56 -32 C +ATOM 703 CE1 HIS A 84 -9.618 1.409 3.368 1.00 4.76 C +ANISOU 703 CE1 HIS A 84 533 565 709 118 256 -106 C +ATOM 704 NE2 HIS A 84 -9.545 0.775 4.567 1.00 5.25 N +ANISOU 704 NE2 HIS A 84 693 522 780 67 127 -96 N +ATOM 705 N VAL A 85 -11.640 -4.320 0.738 1.00 5.97 N +ANISOU 705 N VAL A 85 955 638 674 16 184 20 N +ATOM 706 CA VAL A 85 -11.761 -5.323 -0.299 1.00 6.39 C +ANISOU 706 CA VAL A 85 906 820 700 -169 313 -21 C +ATOM 707 C VAL A 85 -12.962 -5.031 -1.169 1.00 5.99 C +ANISOU 707 C VAL A 85 895 517 866 -273 259 -42 C +ATOM 708 O VAL A 85 -12.873 -5.070 -2.397 1.00 7.11 O +ANISOU 708 O VAL A 85 1167 743 791 -148 102 -73 O +ATOM 709 CB VAL A 85 -11.851 -6.739 0.296 1.00 6.98 C +ANISOU 709 CB VAL A 85 1032 714 907 73 343 -129 C +ATOM 710 CG1 VAL A 85 -12.202 -7.764 -0.780 1.00 8.51 C +ANISOU 710 CG1 VAL A 85 1177 889 1170 -148 151 -263 C +ATOM 711 CG2 VAL A 85 -10.557 -7.118 0.985 1.00 7.77 C +ANISOU 711 CG2 VAL A 85 1257 780 916 104 110 -226 C +ATOM 712 N ARG A 86 -14.109 -4.745 -0.585 1.00 7.26 N +ANISOU 712 N ARG A 86 926 772 1060 -171 272 -18 N +ATOM 713 CA ARG A 86 -15.346 -4.458 -1.295 1.00 7.91 C +ANISOU 713 CA ARG A 86 901 902 1201 -146 202 -293 C +ATOM 714 C ARG A 86 -15.169 -3.255 -2.204 1.00 6.83 C +ANISOU 714 C ARG A 86 532 798 1264 116 147 -280 C +ATOM 715 O ARG A 86 -15.528 -3.285 -3.395 1.00 7.88 O +ANISOU 715 O ARG A 86 687 934 1372 -59 7 -237 O +ATOM 716 CB ARG A 86 -16.505 -4.202 -0.335 1.00 10.21 C +ANISOU 716 CB ARG A 86 961 1335 1586 -225 439 -391 C +ATOM 717 CG ARG A 86 -17.155 -5.421 0.228 1.00 15.43 C +ANISOU 717 CG ARG A 86 1863 1828 2173 -713 991 -297 C +ATOM 718 CD ARG A 86 -18.555 -5.138 0.801 1.00 13.86 C +ANISOU 718 CD ARG A 86 1691 2202 1375 -524 696 269 C +ATOM 719 NE ARG A 86 -18.512 -4.065 1.745 1.00 14.43 N +ANISOU 719 NE ARG A 86 1296 2486 1701 -2 452 91 N +ATOM 720 CZ ARG A 86 -19.119 -2.924 1.845 1.00 13.71 C +ANISOU 720 CZ ARG A 86 1320 2635 1252 66 524 -20 C +ATOM 721 NH1 ARG A 86 -18.786 -2.190 2.880 1.00 15.80 N +ANISOU 721 NH1 ARG A 86 1916 2284 1802 -520 -141 74 N +ATOM 722 NH2 ARG A 86 -20.035 -2.539 0.944 1.00 13.07 N +ANISOU 722 NH2 ARG A 86 1964 1846 1157 -52 210 -111 N +ATOM 723 N TYR A 87 -14.617 -2.157 -1.656 1.00 6.83 N +ANISOU 723 N TYR A 87 626 780 1189 32 135 -167 N +ATOM 724 CA TYR A 87 -14.462 -0.951 -2.443 1.00 6.43 C +ANISOU 724 CA TYR A 87 500 939 1006 -49 102 -124 C +ATOM 725 C TYR A 87 -13.448 -1.154 -3.583 1.00 6.90 C +ANISOU 725 C TYR A 87 582 1079 960 107 54 -172 C +ATOM 726 O TYR A 87 -13.684 -0.709 -4.716 1.00 6.74 O +ANISOU 726 O TYR A 87 635 911 1014 11 6 -112 O +ATOM 727 CB TYR A 87 -14.073 0.293 -1.582 1.00 6.76 C +ANISOU 727 CB TYR A 87 584 865 1120 -41 60 -219 C +ATOM 728 CG TYR A 87 -15.386 0.814 -0.992 1.00 6.11 C +ANISOU 728 CG TYR A 87 472 735 1115 -31 -64 -160 C +ATOM 729 CD1 TYR A 87 -15.961 0.328 0.149 1.00 6.14 C +ANISOU 729 CD1 TYR A 87 444 898 993 166 -115 -47 C +ATOM 730 CD2 TYR A 87 -16.059 1.814 -1.649 1.00 7.22 C +ANISOU 730 CD2 TYR A 87 595 836 1310 -58 -67 81 C +ATOM 731 CE1 TYR A 87 -17.164 0.797 0.681 1.00 7.34 C +ANISOU 731 CE1 TYR A 87 683 962 1144 203 81 -25 C +ATOM 732 CE2 TYR A 87 -17.278 2.271 -1.124 1.00 7.47 C +ANISOU 732 CE2 TYR A 87 762 846 1229 220 -155 -22 C +ATOM 733 CZ TYR A 87 -17.826 1.805 0.018 1.00 7.35 C +ANISOU 733 CZ TYR A 87 667 795 1330 305 59 -154 C +ATOM 734 OH TYR A 87 -19.042 2.229 0.511 1.00 9.92 O +ANISOU 734 OH TYR A 87 789 1049 1931 295 258 51 O +ATOM 735 N LEU A 88 -12.304 -1.780 -3.302 1.00 5.76 N +ANISOU 735 N LEU A 88 584 693 910 76 130 -129 N +ATOM 736 CA LEU A 88 -11.317 -1.957 -4.372 1.00 5.92 C +ANISOU 736 CA LEU A 88 579 724 947 -25 107 -179 C +ATOM 737 C LEU A 88 -11.802 -2.925 -5.442 1.00 5.88 C +ANISOU 737 C LEU A 88 522 707 1004 58 174 -219 C +ATOM 738 O LEU A 88 -11.556 -2.695 -6.619 1.00 6.07 O +ANISOU 738 O LEU A 88 564 797 946 103 122 -144 O +ATOM 739 CB LEU A 88 -9.953 -2.366 -3.807 1.00 5.62 C +ANISOU 739 CB LEU A 88 574 463 1100 37 144 -66 C +ATOM 740 CG LEU A 88 -8.874 -2.495 -4.909 1.00 7.40 C +ANISOU 740 CG LEU A 88 600 1085 1126 129 137 102 C +ATOM 741 CD1 LEU A 88 -8.565 -1.144 -5.511 1.00 9.05 C +ANISOU 741 CD1 LEU A 88 802 1392 1244 -116 215 323 C +ATOM 742 CD2 LEU A 88 -7.646 -3.194 -4.309 1.00 7.82 C +ANISOU 742 CD2 LEU A 88 442 1301 1228 136 218 -62 C +ATOM 743 N ASP A 89 -12.481 -3.988 -5.015 1.00 6.42 N +ANISOU 743 N ASP A 89 668 699 1071 -18 227 -206 N +ATOM 744 CA ASP A 89 -13.016 -4.927 -6.013 1.00 6.25 C +ANISOU 744 CA ASP A 89 926 703 747 -29 206 -103 C +ATOM 745 C ASP A 89 -13.912 -4.175 -6.990 1.00 6.60 C +ANISOU 745 C ASP A 89 785 735 987 -15 201 -30 C +ATOM 746 O ASP A 89 -13.875 -4.344 -8.204 1.00 6.73 O +ANISOU 746 O ASP A 89 761 855 941 42 6 -24 O +ATOM 747 CB ASP A 89 -13.840 -6.041 -5.364 1.00 7.06 C +ANISOU 747 CB ASP A 89 856 760 1068 -117 111 41 C +ATOM 748 CG ASP A 89 -13.037 -7.211 -4.845 1.00 7.57 C +ANISOU 748 CG ASP A 89 844 642 1391 -93 -18 -70 C +ATOM 749 OD1 ASP A 89 -11.780 -7.241 -5.013 1.00 8.25 O +ANISOU 749 OD1 ASP A 89 864 928 1342 -48 61 33 O +ATOM 750 OD2 ASP A 89 -13.649 -8.114 -4.237 1.00 8.61 O +ANISOU 750 OD2 ASP A 89 971 685 1616 20 158 57 O +ATOM 751 N ALA A 90 -14.792 -3.326 -6.429 1.00 7.02 N +ANISOU 751 N ALA A 90 793 778 1098 -28 62 -141 N +ATOM 752 CA ALA A 90 -15.772 -2.569 -7.226 1.00 7.46 C +ANISOU 752 CA ALA A 90 823 784 1229 -32 -68 -110 C +ATOM 753 C ALA A 90 -15.075 -1.535 -8.081 1.00 7.38 C +ANISOU 753 C ALA A 90 996 788 1020 -14 -56 -182 C +ATOM 754 O ALA A 90 -15.459 -1.335 -9.238 1.00 8.33 O +ANISOU 754 O ALA A 90 922 1107 1134 160 -185 9 O +ATOM 755 CB ALA A 90 -16.836 -1.957 -6.311 1.00 7.72 C +ANISOU 755 CB ALA A 90 935 810 1189 65 -25 -155 C +ATOM 756 N PHE A 91 -14.043 -0.876 -7.544 1.00 5.92 N +ANISOU 756 N PHE A 91 706 614 929 132 57 -78 N +ATOM 757 CA PHE A 91 -13.224 0.073 -8.315 1.00 6.02 C +ANISOU 757 CA PHE A 91 723 805 760 158 -2 64 C +ATOM 758 C PHE A 91 -12.677 -0.593 -9.574 1.00 6.58 C +ANISOU 758 C PHE A 91 580 955 964 18 68 -130 C +ATOM 759 O PHE A 91 -12.746 -0.039 -10.690 1.00 6.69 O +ANISOU 759 O PHE A 91 759 930 854 82 161 -199 O +ATOM 760 CB PHE A 91 -12.112 0.604 -7.426 1.00 6.24 C +ANISOU 760 CB PHE A 91 697 749 923 102 50 -13 C +ATOM 761 CG PHE A 91 -11.125 1.484 -8.160 1.00 6.28 C +ANISOU 761 CG PHE A 91 875 516 995 58 163 -220 C +ATOM 762 CD1 PHE A 91 -11.375 2.837 -8.298 1.00 6.86 C +ANISOU 762 CD1 PHE A 91 838 595 1172 48 198 -104 C +ATOM 763 CD2 PHE A 91 -9.958 0.954 -8.690 1.00 6.99 C +ANISOU 763 CD2 PHE A 91 746 720 1189 36 162 -172 C +ATOM 764 CE1 PHE A 91 -10.494 3.644 -8.977 1.00 7.38 C +ANISOU 764 CE1 PHE A 91 885 719 1201 27 49 110 C +ATOM 765 CE2 PHE A 91 -9.097 1.746 -9.401 1.00 7.14 C +ANISOU 765 CE2 PHE A 91 691 897 1124 45 -9 62 C +ATOM 766 CZ PHE A 91 -9.359 3.069 -9.547 1.00 6.84 C +ANISOU 766 CZ PHE A 91 922 836 841 2 114 -3 C +ATOM 767 N ILE A 92 -12.055 -1.750 -9.387 1.00 6.42 N +ANISOU 767 N ILE A 92 532 978 927 -21 78 -109 N +ATOM 768 CA ILE A 92 -11.394 -2.447 -10.497 1.00 5.75 C +ANISOU 768 CA ILE A 92 710 692 784 -153 109 -74 C +ATOM 769 C ILE A 92 -12.423 -2.794 -11.561 1.00 7.06 C +ANISOU 769 C ILE A 92 642 1061 980 134 108 -281 C +ATOM 770 O ILE A 92 -12.174 -2.570 -12.747 1.00 8.15 O +ANISOU 770 O ILE A 92 1061 1199 837 23 -119 -209 O +ATOM 771 CB ILE A 92 -10.607 -3.643 -9.972 1.00 6.66 C +ANISOU 771 CB ILE A 92 766 828 936 -57 67 -133 C +ATOM 772 CG1 ILE A 92 -9.394 -3.228 -9.141 1.00 6.53 C +ANISOU 772 CG1 ILE A 92 754 714 1011 -74 54 -40 C +ATOM 773 CG2 ILE A 92 -10.172 -4.593 -11.096 1.00 7.44 C +ANISOU 773 CG2 ILE A 92 918 994 917 249 -118 -141 C +ATOM 774 CD1 ILE A 92 -8.752 -4.372 -8.391 1.00 7.67 C +ANISOU 774 CD1 ILE A 92 787 682 1444 46 -80 -94 C +ATOM 775 N GLU A 93 -13.589 -3.282 -11.165 1.00 7.91 N +ANISOU 775 N GLU A 93 625 1045 1334 -32 -93 -184 N +ATOM 776 CA GLU A 93 -14.602 -3.627 -12.168 1.00 8.80 C +ANISOU 776 CA GLU A 93 836 1166 1343 -34 -209 20 C +ATOM 777 C GLU A 93 -15.172 -2.365 -12.823 1.00 8.36 C +ANISOU 777 C GLU A 93 1063 1024 1088 -87 -64 19 C +ATOM 778 O GLU A 93 -15.465 -2.381 -14.009 1.00 9.47 O +ANISOU 778 O GLU A 93 1036 1385 1176 108 -173 -101 O +ATOM 779 CB GLU A 93 -15.710 -4.489 -11.561 1.00 10.36 C +ANISOU 779 CB GLU A 93 1235 908 1793 -435 -344 -24 C +ATOM 780 CG GLU A 93 -15.266 -5.859 -11.087 1.00 9.96 C +ANISOU 780 CG GLU A 93 1081 1079 1623 -142 -186 -21 C +ATOM 781 CD GLU A 93 -14.342 -6.588 -12.027 1.00 10.20 C +ANISOU 781 CD GLU A 93 1128 1312 1435 -211 -169 -64 C +ATOM 782 OE1 GLU A 93 -14.810 -6.830 -13.180 1.00 12.47 O +ANISOU 782 OE1 GLU A 93 1383 1576 1779 185 -560 -351 O +ATOM 783 OE2 GLU A 93 -13.192 -6.958 -11.676 1.00 9.91 O +ANISOU 783 OE2 GLU A 93 1195 1353 1218 -100 -173 -250 O +ATOM 784 N ALA A 94 -15.332 -1.281 -12.069 1.00 8.42 N +ANISOU 784 N ALA A 94 851 1179 1168 77 -277 -34 N +ATOM 785 CA ALA A 94 -15.872 -0.059 -12.624 1.00 8.55 C +ANISOU 785 CA ALA A 94 805 1205 1240 215 -260 -156 C +ATOM 786 C ALA A 94 -14.994 0.485 -13.728 1.00 9.23 C +ANISOU 786 C ALA A 94 1160 1176 1169 161 -237 -16 C +ATOM 787 O ALA A 94 -15.505 1.077 -14.675 1.00 11.54 O +ANISOU 787 O ALA A 94 1385 1586 1412 278 -264 211 O +ATOM 788 CB ALA A 94 -16.077 0.982 -11.545 1.00 11.53 C +ANISOU 788 CB ALA A 94 1224 1586 1569 455 -99 -475 C +ATOM 789 N LEU A 95 -13.687 0.289 -13.624 1.00 8.45 N +ANISOU 789 N LEU A 95 1128 850 1231 101 -105 -103 N +ATOM 790 CA LEU A 95 -12.802 0.743 -14.652 1.00 9.42 C +ANISOU 790 CA LEU A 95 1305 1039 1236 73 -71 24 C +ATOM 791 C LEU A 95 -12.675 -0.245 -15.813 1.00 9.10 C +ANISOU 791 C LEU A 95 737 1265 1454 126 75 -144 C +ATOM 792 O LEU A 95 -11.947 0.038 -16.784 1.00 10.89 O +ANISOU 792 O LEU A 95 1527 1443 1169 -76 21 -27 O +ATOM 793 CB LEU A 95 -11.413 1.059 -14.082 1.00 10.49 C +ANISOU 793 CB LEU A 95 1314 1379 1294 -99 -52 51 C +ATOM 794 CG LEU A 95 -11.165 2.474 -13.573 1.00 11.93 C +ANISOU 794 CG LEU A 95 1335 1581 1618 -181 -103 -180 C +ATOM 795 CD1 LEU A 95 -12.143 2.936 -12.526 1.00 19.47 C +ANISOU 795 CD1 LEU A 95 1639 2332 3427 -734 772 -1395 C +ATOM 796 CD2 LEU A 95 -9.735 2.581 -13.066 1.00 14.56 C +ANISOU 796 CD2 LEU A 95 1303 2286 1944 -453 -100 -216 C +ATOM 797 N GLY A 96 -13.313 -1.389 -15.742 1.00 9.15 N +ANISOU 797 N GLY A 96 1346 1110 1021 125 -133 -4 N +ATOM 798 CA GLY A 96 -13.304 -2.385 -16.793 1.00 11.23 C +ANISOU 798 CA GLY A 96 1441 1409 1417 274 -279 -310 C +ATOM 799 C GLY A 96 -11.960 -3.051 -16.937 1.00 10.85 C +ANISOU 799 C GLY A 96 1584 1032 1508 347 -369 -190 C +ATOM 800 O GLY A 96 -11.601 -3.507 -18.021 1.00 12.76 O +ANISOU 800 O GLY A 96 1630 1730 1487 317 -74 -174 O +ATOM 801 N LEU A 97 -11.161 -3.119 -15.865 1.00 9.60 N +ANISOU 801 N LEU A 97 1375 861 1414 223 -167 152 N +ATOM 802 CA LEU A 97 -9.854 -3.746 -15.974 1.00 10.61 C +ANISOU 802 CA LEU A 97 1428 1076 1525 333 -216 -113 C +ATOM 803 C LEU A 97 -10.057 -5.251 -16.139 1.00 9.71 C +ANISOU 803 C LEU A 97 1065 1062 1562 249 -166 -40 C +ATOM 804 O LEU A 97 -10.911 -5.895 -15.509 1.00 11.82 O +ANISOU 804 O LEU A 97 1478 1343 1670 125 163 -50 O +ATOM 805 CB LEU A 97 -9.014 -3.399 -14.744 1.00 10.46 C +ANISOU 805 CB LEU A 97 1156 1234 1584 -145 -157 48 C +ATOM 806 CG LEU A 97 -8.931 -1.939 -14.330 1.00 9.75 C +ANISOU 806 CG LEU A 97 890 1213 1599 -125 -45 66 C +ATOM 807 CD1 LEU A 97 -7.914 -1.774 -13.190 1.00 9.44 C +ANISOU 807 CD1 LEU A 97 887 1316 1385 -210 92 -17 C +ATOM 808 CD2 LEU A 97 -8.577 -1.093 -15.525 1.00 10.38 C +ANISOU 808 CD2 LEU A 97 1339 1207 1398 45 110 -42 C +ATOM 809 N GLU A 98 -9.224 -5.799 -17.006 1.00 9.23 N +ANISOU 809 N GLU A 98 932 927 1647 168 -129 -11 N +ATOM 810 CA GLU A 98 -9.184 -7.221 -17.271 1.00 9.31 C +ANISOU 810 CA GLU A 98 1055 933 1550 69 -134 -46 C +ATOM 811 C GLU A 98 -7.878 -7.743 -16.694 1.00 9.15 C +ANISOU 811 C GLU A 98 1078 888 1512 143 -178 -33 C +ATOM 812 O GLU A 98 -7.892 -8.022 -15.485 1.00 9.87 O +ANISOU 812 O GLU A 98 1046 1219 1482 -77 -168 -141 O +ATOM 813 CB GLU A 98 -9.351 -7.446 -18.765 1.00 13.46 C +ANISOU 813 CB GLU A 98 1515 1822 1779 231 -578 -459 C +ATOM 814 CG AGLU A 98 -10.778 -7.222 -19.238 0.50 14.78 C +ANISOU 814 CG AGLU A 98 1672 1490 2455 10 -939 51 C +ATOM 815 CG BGLU A 98 -10.672 -6.838 -19.239 0.50 14.25 C +ANISOU 815 CG BGLU A 98 1897 1204 2314 63 -901 248 C +ATOM 816 CD AGLU A 98 -10.904 -7.193 -20.744 0.50 19.74 C +ANISOU 816 CD AGLU A 98 2330 2669 2503 270 -1357 -514 C +ATOM 817 CD BGLU A 98 -10.927 -7.089 -20.707 0.50 16.79 C +ANISOU 817 CD BGLU A 98 2052 1946 2380 161 -1049 63 C +ATOM 818 OE1AGLU A 98 -9.930 -7.528 -21.451 0.50 28.34 O +ANISOU 818 OE1AGLU A 98 3162 4813 2792 -51 -783 -1764 O +ATOM 819 OE1BGLU A 98 -10.341 -6.373 -21.545 0.50 16.96 O +ANISOU 819 OE1BGLU A 98 2293 1896 2254 650 -379 -139 O +ATOM 820 OE2AGLU A 98 -12.008 -6.834 -21.213 0.50 28.37 O +ANISOU 820 OE2AGLU A 98 3865 3200 3716 1536 -2696 -1025 O +ATOM 821 OE2BGLU A 98 -11.724 -8.011 -20.987 0.50 34.24 O +ANISOU 821 OE2BGLU A 98 7116 2983 2911 -2446 -2000 334 O +ATOM 822 N GLU A 99 -6.807 -7.864 -17.463 1.00 9.10 N +ANISOU 822 N GLU A 99 1045 1183 1231 107 -374 146 N +ATOM 823 CA AGLU A 99 -5.498 -8.186 -16.911 0.60 9.30 C +ANISOU 823 CA AGLU A 99 1048 654 1831 231 -505 -183 C +ATOM 824 CA BGLU A 99 -5.474 -8.175 -16.984 0.40 9.01 C +ANISOU 824 CA BGLU A 99 1004 731 1690 119 -431 -77 C +ATOM 825 C GLU A 99 -4.785 -6.939 -16.416 1.00 7.14 C +ANISOU 825 C GLU A 99 930 773 1010 -1 10 -2 C +ATOM 826 O GLU A 99 -4.948 -5.840 -16.957 1.00 8.46 O +ANISOU 826 O GLU A 99 1035 826 1354 -141 -291 146 O +ATOM 827 CB AGLU A 99 -4.583 -8.913 -17.922 0.60 13.30 C +ANISOU 827 CB AGLU A 99 1608 1149 2298 697 -640 -711 C +ATOM 828 CB BGLU A 99 -4.572 -8.749 -18.092 0.40 13.48 C +ANISOU 828 CB BGLU A 99 1538 1261 2323 652 -502 -848 C +ATOM 829 CG AGLU A 99 -5.173 -10.220 -18.449 0.60 13.15 C +ANISOU 829 CG AGLU A 99 2090 925 1981 301 126 -378 C +ATOM 830 CG BGLU A 99 -5.171 -9.844 -18.963 0.40 17.60 C +ANISOU 830 CG BGLU A 99 2143 2169 2376 -614 308 -1097 C +ATOM 831 CD AGLU A 99 -4.635 -10.662 -19.796 0.60 16.75 C +ANISOU 831 CD AGLU A 99 2284 1973 2109 229 86 -958 C +ATOM 832 CD BGLU A 99 -6.152 -9.329 -19.997 0.40 19.02 C +ANISOU 832 CD BGLU A 99 1814 4234 1176 -928 553 -1316 C +ATOM 833 OE1AGLU A 99 -4.790 -11.841 -20.169 0.60 29.50 O +ANISOU 833 OE1AGLU A 99 6164 1825 3220 557 1349 -1262 O +ATOM 834 OE1BGLU A 99 -6.957 -10.162 -20.483 0.40 33.95 O +ANISOU 834 OE1BGLU A 99 2958 5314 4626 1 -720 -4484 O +ATOM 835 OE2AGLU A 99 -4.069 -9.808 -20.508 0.60 28.62 O +ANISOU 835 OE2AGLU A 99 5280 3071 2523 -952 1640 -1332 O +ATOM 836 OE2BGLU A 99 -6.122 -8.109 -20.282 0.40 23.32 O +ANISOU 836 OE2BGLU A 99 1165 5520 2176 -1457 491 1578 O +ATOM 837 N VAL A 100 -3.993 -7.131 -15.350 1.00 6.48 N +ANISOU 837 N VAL A 100 778 622 1062 46 22 -13 N +ATOM 838 CA VAL A 100 -3.250 -6.030 -14.758 1.00 6.42 C +ANISOU 838 CA VAL A 100 816 636 989 187 65 -160 C +ATOM 839 C VAL A 100 -1.867 -6.476 -14.348 1.00 6.00 C +ANISOU 839 C VAL A 100 813 493 973 179 -23 -267 C +ATOM 840 O VAL A 100 -1.619 -7.676 -14.179 1.00 6.58 O +ANISOU 840 O VAL A 100 788 456 1257 33 33 -63 O +ATOM 841 CB VAL A 100 -3.983 -5.439 -13.521 1.00 7.09 C +ANISOU 841 CB VAL A 100 749 875 1068 171 162 -180 C +ATOM 842 CG1 VAL A 100 -5.355 -4.929 -13.885 1.00 8.84 C +ANISOU 842 CG1 VAL A 100 836 1284 1239 320 230 -148 C +ATOM 843 CG2 VAL A 100 -4.006 -6.482 -12.415 1.00 8.82 C +ANISOU 843 CG2 VAL A 100 907 1259 1185 177 287 24 C +ATOM 844 N VAL A 101 -0.981 -5.512 -14.146 1.00 5.17 N +ANISOU 844 N VAL A 101 838 378 747 199 1 -27 N +ATOM 845 CA VAL A 101 0.228 -5.672 -13.356 1.00 5.09 C +ANISOU 845 CA VAL A 101 742 560 631 136 120 -35 C +ATOM 846 C VAL A 101 -0.001 -4.944 -12.049 1.00 4.44 C +ANISOU 846 C VAL A 101 478 523 687 44 121 -36 C +ATOM 847 O VAL A 101 -0.487 -3.823 -12.063 1.00 6.05 O +ANISOU 847 O VAL A 101 1097 486 715 235 176 35 O +ATOM 848 CB VAL A 101 1.461 -5.143 -14.076 1.00 6.07 C +ANISOU 848 CB VAL A 101 769 867 672 176 231 -129 C +ATOM 849 CG1 VAL A 101 2.681 -5.207 -13.210 1.00 6.07 C +ANISOU 849 CG1 VAL A 101 710 817 779 200 230 -53 C +ATOM 850 CG2 VAL A 101 1.710 -5.967 -15.353 1.00 7.87 C +ANISOU 850 CG2 VAL A 101 799 1258 932 -44 369 -422 C +ATOM 851 N LEU A 102 0.335 -5.564 -10.915 1.00 4.27 N +ANISOU 851 N LEU A 102 594 369 660 81 88 -82 N +ATOM 852 CA LEU A 102 0.168 -4.940 -9.624 1.00 4.40 C +ANISOU 852 CA LEU A 102 566 399 707 162 39 -101 C +ATOM 853 C LEU A 102 1.473 -4.344 -9.094 1.00 4.19 C +ANISOU 853 C LEU A 102 513 566 512 195 -25 -24 C +ATOM 854 O LEU A 102 2.512 -5.020 -9.242 1.00 5.17 O +ANISOU 854 O LEU A 102 591 722 650 239 123 -102 O +ATOM 855 CB LEU A 102 -0.321 -6.004 -8.617 1.00 5.51 C +ANISOU 855 CB LEU A 102 894 549 651 -1 -58 7 C +ATOM 856 CG LEU A 102 -1.715 -6.566 -8.856 1.00 5.33 C +ANISOU 856 CG LEU A 102 765 626 633 45 216 -162 C +ATOM 857 CD1 LEU A 102 -2.017 -7.694 -7.889 1.00 6.95 C +ANISOU 857 CD1 LEU A 102 891 733 1017 7 281 45 C +ATOM 858 CD2 LEU A 102 -2.785 -5.498 -8.727 1.00 8.42 C +ANISOU 858 CD2 LEU A 102 862 738 1598 111 344 157 C +ATOM 859 N VAL A 103 1.427 -3.189 -8.463 1.00 4.66 N +ANISOU 859 N VAL A 103 535 545 689 131 71 -64 N +ATOM 860 CA VAL A 103 2.514 -2.570 -7.783 1.00 3.81 C +ANISOU 860 CA VAL A 103 375 404 667 272 105 -80 C +ATOM 861 C VAL A 103 1.999 -2.205 -6.396 1.00 4.30 C +ANISOU 861 C VAL A 103 442 481 712 51 123 -56 C +ATOM 862 O VAL A 103 1.112 -1.372 -6.283 1.00 4.33 O +ANISOU 862 O VAL A 103 557 471 618 198 228 -45 O +ATOM 863 CB VAL A 103 3.078 -1.330 -8.487 1.00 4.44 C +ANISOU 863 CB VAL A 103 475 505 705 175 90 -11 C +ATOM 864 CG1 VAL A 103 4.168 -0.698 -7.635 1.00 5.23 C +ANISOU 864 CG1 VAL A 103 531 704 753 7 99 20 C +ATOM 865 CG2 VAL A 103 3.559 -1.674 -9.879 1.00 4.76 C +ANISOU 865 CG2 VAL A 103 738 289 784 173 210 -43 C +ATOM 866 N ILE A 104 2.473 -2.912 -5.344 1.00 3.94 N +ANISOU 866 N ILE A 104 294 517 684 78 174 -42 N +ATOM 867 CA ILE A 104 1.776 -2.941 -4.080 1.00 4.38 C +ANISOU 867 CA ILE A 104 461 544 660 160 191 -167 C +ATOM 868 C ILE A 104 2.680 -2.801 -2.868 1.00 5.20 C +ANISOU 868 C ILE A 104 487 776 714 96 128 -146 C +ATOM 869 O ILE A 104 3.837 -3.214 -2.886 1.00 5.81 O +ANISOU 869 O ILE A 104 576 787 846 221 15 -118 O +ATOM 870 CB ILE A 104 0.917 -4.214 -3.986 1.00 4.00 C +ANISOU 870 CB ILE A 104 488 537 497 89 318 -104 C +ATOM 871 CG1 ILE A 104 1.703 -5.526 -3.978 1.00 5.35 C +ANISOU 871 CG1 ILE A 104 803 543 685 142 34 -8 C +ATOM 872 CG2 ILE A 104 -0.144 -4.240 -5.095 1.00 5.34 C +ANISOU 872 CG2 ILE A 104 737 487 805 45 37 1 C +ATOM 873 CD1 ILE A 104 0.903 -6.810 -4.077 1.00 6.08 C +ANISOU 873 CD1 ILE A 104 945 580 785 56 315 -240 C +ATOM 874 N HIS A 105 2.077 -2.229 -1.823 1.00 6.48 N +ANISOU 874 N HIS A 105 745 971 745 -35 145 -365 N +ATOM 875 CA HIS A 105 2.783 -1.897 -0.578 1.00 5.96 C +ANISOU 875 CA HIS A 105 745 721 798 140 9 -214 C +ATOM 876 C HIS A 105 1.907 -2.077 0.654 1.00 6.23 C +ANISOU 876 C HIS A 105 937 611 820 64 164 -128 C +ATOM 877 O HIS A 105 0.769 -1.614 0.602 1.00 7.08 O +ANISOU 877 O HIS A 105 761 1140 790 -6 -5 -83 O +ATOM 878 CB HIS A 105 3.235 -0.449 -0.637 1.00 6.71 C +ANISOU 878 CB HIS A 105 870 968 712 -245 38 -83 C +ATOM 879 CG HIS A 105 4.032 0.022 0.546 1.00 5.04 C +ANISOU 879 CG HIS A 105 604 587 723 29 74 -48 C +ATOM 880 ND1 HIS A 105 3.762 1.206 1.205 1.00 6.23 N +ANISOU 880 ND1 HIS A 105 693 786 890 242 143 -173 N +ATOM 881 CD2 HIS A 105 5.091 -0.536 1.180 1.00 5.93 C +ANISOU 881 CD2 HIS A 105 776 724 753 223 56 -206 C +ATOM 882 CE1 HIS A 105 4.651 1.347 2.186 1.00 5.32 C +ANISOU 882 CE1 HIS A 105 604 462 958 6 139 -114 C +ATOM 883 NE2 HIS A 105 5.469 0.299 2.201 1.00 5.23 N +ANISOU 883 NE2 HIS A 105 832 561 594 170 80 -86 N +ATOM 884 N ASP A 106 2.307 -2.633 1.792 1.00 7.28 N +ANISOU 884 N ASP A 106 861 911 993 203 189 5 N +ATOM 885 CA ASP A 106 1.563 -2.615 3.087 1.00 6.97 C +ANISOU 885 CA ASP A 106 555 1191 904 48 29 -132 C +ATOM 886 C ASP A 106 0.120 -3.125 2.933 1.00 6.14 C +ANISOU 886 C ASP A 106 603 690 1039 113 50 -35 C +ATOM 887 O ASP A 106 -0.076 -4.214 2.372 1.00 6.92 O +ANISOU 887 O ASP A 106 744 848 1039 56 190 -192 O +ATOM 888 CB ASP A 106 1.713 -1.200 3.687 1.00 6.88 C +ANISOU 888 CB ASP A 106 379 1214 1022 -2 125 -196 C +ATOM 889 CG ASP A 106 1.150 -1.088 5.079 1.00 7.81 C +ANISOU 889 CG ASP A 106 587 1376 1003 218 76 -204 C +ATOM 890 OD1 ASP A 106 1.748 -1.772 5.956 1.00 9.09 O +ANISOU 890 OD1 ASP A 106 1089 1251 1114 317 47 -27 O +ATOM 891 OD2 ASP A 106 0.101 -0.413 5.258 1.00 6.34 O +ANISOU 891 OD2 ASP A 106 687 633 1090 1 252 -237 O +ATOM 892 N TRP A 107 -0.877 -2.366 3.340 1.00 4.51 N +ANISOU 892 N TRP A 107 581 508 624 -20 180 79 N +ATOM 893 CA TRP A 107 -2.269 -2.832 3.127 1.00 4.48 C +ANISOU 893 CA TRP A 107 651 406 646 -77 311 -51 C +ATOM 894 C TRP A 107 -2.616 -2.876 1.661 1.00 3.79 C +ANISOU 894 C TRP A 107 553 208 680 72 159 -63 C +ATOM 895 O TRP A 107 -3.492 -3.640 1.290 1.00 5.35 O +ANISOU 895 O TRP A 107 715 513 804 -50 189 -32 O +ATOM 896 CB TRP A 107 -3.237 -1.972 3.954 1.00 5.03 C +ANISOU 896 CB TRP A 107 662 587 664 113 297 8 C +ATOM 897 CG TRP A 107 -3.149 -2.384 5.392 1.00 4.65 C +ANISOU 897 CG TRP A 107 636 508 623 24 257 -7 C +ATOM 898 CD1 TRP A 107 -2.598 -1.733 6.426 1.00 4.36 C +ANISOU 898 CD1 TRP A 107 628 315 712 86 413 -138 C +ATOM 899 CD2 TRP A 107 -3.674 -3.612 5.903 1.00 4.05 C +ANISOU 899 CD2 TRP A 107 586 276 676 185 230 -114 C +ATOM 900 NE1 TRP A 107 -2.734 -2.476 7.591 1.00 4.89 N +ANISOU 900 NE1 TRP A 107 655 614 590 78 198 -79 N +ATOM 901 CE2 TRP A 107 -3.395 -3.636 7.277 1.00 4.49 C +ANISOU 901 CE2 TRP A 107 457 613 637 20 345 8 C +ATOM 902 CE3 TRP A 107 -4.360 -4.703 5.338 1.00 6.16 C +ANISOU 902 CE3 TRP A 107 890 574 878 -224 276 -78 C +ATOM 903 CZ2 TRP A 107 -3.774 -4.706 8.085 1.00 5.08 C +ANISOU 903 CZ2 TRP A 107 706 507 720 165 315 -11 C +ATOM 904 CZ3 TRP A 107 -4.720 -5.755 6.151 1.00 6.24 C +ANISOU 904 CZ3 TRP A 107 929 510 934 -169 270 -84 C +ATOM 905 CH2 TRP A 107 -4.428 -5.749 7.504 1.00 6.16 C +ANISOU 905 CH2 TRP A 107 917 527 896 18 427 -39 C +ATOM 906 N GLY A 108 -1.960 -2.114 0.805 1.00 4.65 N +ANISOU 906 N GLY A 108 704 419 645 -19 320 -100 N +ATOM 907 CA GLY A 108 -2.153 -2.296 -0.611 1.00 5.09 C +ANISOU 907 CA GLY A 108 681 564 688 121 279 -105 C +ATOM 908 C GLY A 108 -1.697 -3.648 -1.133 1.00 4.44 C +ANISOU 908 C GLY A 108 630 487 569 -8 250 -16 C +ATOM 909 O GLY A 108 -2.254 -4.191 -2.084 1.00 5.15 O +ANISOU 909 O GLY A 108 693 602 664 -7 244 -121 O +ATOM 910 N SER A 109 -0.688 -4.184 -0.475 1.00 4.63 N +ANISOU 910 N SER A 109 641 450 669 77 221 -38 N +ATOM 911 CA SER A 109 -0.225 -5.533 -0.793 1.00 5.12 C +ANISOU 911 CA SER A 109 704 400 841 -27 87 -164 C +ATOM 912 C SER A 109 -1.183 -6.604 -0.304 1.00 4.77 C +ANISOU 912 C SER A 109 639 416 758 78 197 -51 C +ATOM 913 O SER A 109 -1.411 -7.585 -1.013 1.00 5.30 O +ANISOU 913 O SER A 109 738 433 844 -21 227 -26 O +ATOM 914 CB SER A 109 1.201 -5.837 -0.316 1.00 5.01 C +ANISOU 914 CB SER A 109 660 321 922 39 239 -145 C +ATOM 915 OG SER A 109 1.309 -6.007 1.074 1.00 6.46 O +ANISOU 915 OG SER A 109 815 702 939 157 -2 -149 O +ATOM 916 N ALA A 110 -1.778 -6.425 0.877 1.00 5.37 N +ANISOU 916 N ALA A 110 667 534 839 -28 145 -176 N +ATOM 917 CA ALA A 110 -2.804 -7.385 1.316 1.00 4.92 C +ANISOU 917 CA ALA A 110 677 376 815 29 168 -42 C +ATOM 918 C ALA A 110 -3.951 -7.353 0.331 1.00 4.87 C +ANISOU 918 C ALA A 110 548 436 866 104 223 -100 C +ATOM 919 O ALA A 110 -4.456 -8.389 -0.104 1.00 5.40 O +ANISOU 919 O ALA A 110 741 481 831 15 104 -51 O +ATOM 920 CB ALA A 110 -3.231 -7.077 2.732 1.00 5.78 C +ANISOU 920 CB ALA A 110 647 672 879 174 127 -41 C +ATOM 921 N LEU A 111 -4.397 -6.167 -0.072 1.00 4.95 N +ANISOU 921 N LEU A 111 604 467 809 10 114 -104 N +ATOM 922 CA LEU A 111 -5.453 -6.062 -1.073 1.00 4.99 C +ANISOU 922 CA LEU A 111 672 392 833 48 61 -91 C +ATOM 923 C LEU A 111 -5.037 -6.662 -2.397 1.00 4.83 C +ANISOU 923 C LEU A 111 695 361 779 33 99 15 C +ATOM 924 O LEU A 111 -5.804 -7.422 -3.018 1.00 5.41 O +ANISOU 924 O LEU A 111 666 450 942 -47 179 -183 O +ATOM 925 CB LEU A 111 -5.852 -4.589 -1.272 1.00 5.45 C +ANISOU 925 CB LEU A 111 613 521 936 126 117 -85 C +ATOM 926 CG LEU A 111 -6.625 -3.970 -0.107 1.00 6.11 C +ANISOU 926 CG LEU A 111 797 453 1073 -26 262 -239 C +ATOM 927 CD1 LEU A 111 -6.587 -2.455 -0.183 1.00 6.77 C +ANISOU 927 CD1 LEU A 111 677 462 1431 187 242 -19 C +ATOM 928 CD2 LEU A 111 -8.065 -4.479 -0.044 1.00 6.79 C +ANISOU 928 CD2 LEU A 111 726 672 1181 42 300 -181 C +ATOM 929 N GLY A 112 -3.852 -6.344 -2.870 1.00 5.02 N +ANISOU 929 N GLY A 112 552 610 744 90 24 -61 N +ATOM 930 CA GLY A 112 -3.403 -6.842 -4.158 1.00 5.37 C +ANISOU 930 CA GLY A 112 856 476 709 -12 179 66 C +ATOM 931 C GLY A 112 -3.199 -8.340 -4.187 1.00 4.85 C +ANISOU 931 C GLY A 112 629 474 741 -18 148 -41 C +ATOM 932 O GLY A 112 -3.621 -9.000 -5.129 1.00 6.00 O +ANISOU 932 O GLY A 112 847 613 819 46 72 -130 O +ATOM 933 N PHE A 113 -2.577 -8.899 -3.162 1.00 4.90 N +ANISOU 933 N PHE A 113 716 445 700 194 197 -173 N +ATOM 934 CA PHE A 113 -2.353 -10.340 -3.128 1.00 5.17 C +ANISOU 934 CA PHE A 113 652 494 816 186 187 -88 C +ATOM 935 C PHE A 113 -3.669 -11.081 -2.943 1.00 5.14 C +ANISOU 935 C PHE A 113 706 598 648 56 97 -108 C +ATOM 936 O PHE A 113 -3.859 -12.140 -3.541 1.00 5.92 O +ANISOU 936 O PHE A 113 919 543 787 83 95 -49 O +ATOM 937 CB PHE A 113 -1.418 -10.737 -2.002 1.00 5.01 C +ANISOU 937 CB PHE A 113 661 465 777 110 115 -100 C +ATOM 938 CG PHE A 113 0.054 -10.390 -2.187 1.00 5.23 C +ANISOU 938 CG PHE A 113 700 574 715 -13 117 147 C +ATOM 939 CD1 PHE A 113 0.710 -10.666 -3.368 1.00 5.49 C +ANISOU 939 CD1 PHE A 113 744 552 789 131 120 117 C +ATOM 940 CD2 PHE A 113 0.762 -9.819 -1.150 1.00 5.81 C +ANISOU 940 CD2 PHE A 113 737 442 1030 45 113 -137 C +ATOM 941 CE1 PHE A 113 2.079 -10.411 -3.476 1.00 6.49 C +ANISOU 941 CE1 PHE A 113 803 540 1124 77 363 -72 C +ATOM 942 CE2 PHE A 113 2.126 -9.562 -1.248 1.00 6.34 C +ANISOU 942 CE2 PHE A 113 729 547 1134 22 64 -45 C +ATOM 943 CZ PHE A 113 2.776 -9.840 -2.433 1.00 6.32 C +ANISOU 943 CZ PHE A 113 744 419 1238 70 192 48 C +ATOM 944 N HIS A 114 -4.576 -10.513 -2.163 1.00 5.40 N +ANISOU 944 N HIS A 114 583 644 823 102 170 -19 N +ATOM 945 CA HIS A 114 -5.886 -11.138 -1.986 1.00 5.78 C +ANISOU 945 CA HIS A 114 739 570 887 3 177 -140 C +ATOM 946 C HIS A 114 -6.668 -11.118 -3.293 1.00 5.13 C +ANISOU 946 C HIS A 114 599 460 892 -110 217 -54 C +ATOM 947 O HIS A 114 -7.326 -12.099 -3.666 1.00 6.49 O +ANISOU 947 O HIS A 114 829 534 1102 -166 62 -128 O +ATOM 948 CB HIS A 114 -6.655 -10.474 -0.872 1.00 5.88 C +ANISOU 948 CB HIS A 114 712 701 822 10 300 47 C +ATOM 949 CG HIS A 114 -7.968 -11.097 -0.534 1.00 5.96 C +ANISOU 949 CG HIS A 114 753 598 914 -20 215 80 C +ATOM 950 ND1 HIS A 114 -8.093 -12.432 -0.163 1.00 6.81 N +ANISOU 950 ND1 HIS A 114 927 636 1024 -115 244 31 N +ATOM 951 CD2 HIS A 114 -9.154 -10.471 -0.467 1.00 6.55 C +ANISOU 951 CD2 HIS A 114 670 751 1067 -86 316 56 C +ATOM 952 CE1 HIS A 114 -9.370 -12.636 0.087 1.00 7.84 C +ANISOU 952 CE1 HIS A 114 879 641 1460 -153 216 -20 C +ATOM 953 NE2 HIS A 114 -10.048 -11.503 -0.080 1.00 7.94 N +ANISOU 953 NE2 HIS A 114 812 767 1436 -147 267 93 N +ATOM 954 N TRP A 115 -6.571 -10.035 -4.042 1.00 5.44 N +ANISOU 954 N TRP A 115 659 502 907 -34 251 -81 N +ATOM 955 CA TRP A 115 -7.243 -9.951 -5.353 1.00 5.87 C +ANISOU 955 CA TRP A 115 711 600 921 23 199 -62 C +ATOM 956 C TRP A 115 -6.590 -10.933 -6.326 1.00 5.16 C +ANISOU 956 C TRP A 115 817 360 786 56 105 78 C +ATOM 957 O TRP A 115 -7.280 -11.606 -7.086 1.00 6.23 O +ANISOU 957 O TRP A 115 858 452 1058 74 5 -85 O +ATOM 958 CB TRP A 115 -7.224 -8.504 -5.869 1.00 5.88 C +ANISOU 958 CB TRP A 115 747 555 934 118 171 -110 C +ATOM 959 CG TRP A 115 -8.064 -8.277 -7.079 1.00 5.86 C +ANISOU 959 CG TRP A 115 805 480 942 36 138 -120 C +ATOM 960 CD1 TRP A 115 -9.390 -7.936 -7.053 1.00 6.56 C +ANISOU 960 CD1 TRP A 115 723 781 987 -51 131 -111 C +ATOM 961 CD2 TRP A 115 -7.669 -8.357 -8.445 1.00 6.68 C +ANISOU 961 CD2 TRP A 115 987 574 977 119 182 -149 C +ATOM 962 NE1 TRP A 115 -9.842 -7.800 -8.332 1.00 7.41 N +ANISOU 962 NE1 TRP A 115 924 778 1112 31 18 51 N +ATOM 963 CE2 TRP A 115 -8.814 -8.064 -9.202 1.00 6.54 C +ANISOU 963 CE2 TRP A 115 1179 319 987 111 48 -22 C +ATOM 964 CE3 TRP A 115 -6.493 -8.667 -9.134 1.00 7.57 C +ANISOU 964 CE3 TRP A 115 1004 796 1076 -152 403 -23 C +ATOM 965 CZ2 TRP A 115 -8.837 -8.051 -10.582 1.00 8.60 C +ANISOU 965 CZ2 TRP A 115 1269 956 1042 6 85 -60 C +ATOM 966 CZ3 TRP A 115 -6.534 -8.645 -10.523 1.00 8.20 C +ANISOU 966 CZ3 TRP A 115 1196 831 1087 -158 356 65 C +ATOM 967 CH2 TRP A 115 -7.672 -8.342 -11.237 1.00 8.63 C +ANISOU 967 CH2 TRP A 115 1383 688 1209 114 239 -27 C +ATOM 968 N ALA A 116 -5.255 -10.975 -6.316 1.00 5.84 N +ANISOU 968 N ALA A 116 788 706 724 29 179 -33 N +ATOM 969 CA ALA A 116 -4.551 -11.878 -7.240 1.00 5.98 C +ANISOU 969 CA ALA A 116 904 575 793 110 193 39 C +ATOM 970 C ALA A 116 -4.890 -13.337 -7.004 1.00 6.43 C +ANISOU 970 C ALA A 116 845 636 963 35 89 -24 C +ATOM 971 O ALA A 116 -5.122 -14.116 -7.934 1.00 6.96 O +ANISOU 971 O ALA A 116 969 615 1060 56 53 -123 O +ATOM 972 CB ALA A 116 -3.060 -11.655 -7.123 1.00 6.80 C +ANISOU 972 CB ALA A 116 889 528 1167 57 257 -140 C +ATOM 973 N LYS A 117 -4.934 -13.754 -5.724 1.00 5.80 N +ANISOU 973 N LYS A 117 835 387 983 38 63 -77 N +ATOM 974 CA LYS A 117 -5.299 -15.109 -5.393 1.00 6.47 C +ANISOU 974 CA LYS A 117 880 345 1234 81 205 -51 C +ATOM 975 C LYS A 117 -6.650 -15.485 -5.964 1.00 6.95 C +ANISOU 975 C LYS A 117 937 661 1042 -106 307 -179 C +ATOM 976 O LYS A 117 -6.883 -16.598 -6.451 1.00 8.50 O +ANISOU 976 O LYS A 117 1312 613 1307 -127 42 -166 O +ATOM 977 CB LYS A 117 -5.301 -15.269 -3.863 1.00 8.57 C +ANISOU 977 CB LYS A 117 1419 516 1321 -122 -143 103 C +ATOM 978 CG LYS A 117 -5.681 -16.706 -3.449 1.00 12.95 C +ANISOU 978 CG LYS A 117 2944 457 1520 -305 -676 338 C +ATOM 979 CD LYS A 117 -6.217 -16.823 -2.048 1.00 13.65 C +ANISOU 979 CD LYS A 117 2472 614 2099 -380 -16 411 C +ATOM 980 CE LYS A 117 -7.637 -16.322 -1.905 1.00 15.48 C +ANISOU 980 CE LYS A 117 2179 1631 2071 -244 -940 493 C +ATOM 981 NZ LYS A 117 -8.195 -16.483 -0.479 1.00 13.99 N +ANISOU 981 NZ LYS A 117 1926 1000 2388 -116 -446 62 N +ATOM 982 N ARG A 118 -7.595 -14.536 -5.885 1.00 7.19 N +ANISOU 982 N ARG A 118 843 558 1333 -144 138 -108 N +ATOM 983 CA ARG A 118 -8.947 -14.742 -6.354 1.00 7.54 C +ANISOU 983 CA ARG A 118 919 642 1305 -177 159 -31 C +ATOM 984 C ARG A 118 -9.080 -14.562 -7.855 1.00 8.00 C +ANISOU 984 C ARG A 118 1128 653 1257 -69 108 -167 C +ATOM 985 O ARG A 118 -10.074 -15.018 -8.425 1.00 11.71 O +ANISOU 985 O ARG A 118 1488 1527 1435 -591 11 -141 O +ATOM 986 CB ARG A 118 -9.884 -13.765 -5.626 1.00 8.29 C +ANISOU 986 CB ARG A 118 870 990 1289 -36 93 -109 C +ATOM 987 CG ARG A 118 -10.021 -14.075 -4.159 1.00 7.16 C +ANISOU 987 CG ARG A 118 702 647 1370 -76 212 8 C +ATOM 988 CD ARG A 118 -10.912 -13.099 -3.438 1.00 7.40 C +ANISOU 988 CD ARG A 118 748 640 1425 -124 233 -34 C +ATOM 989 NE ARG A 118 -10.370 -11.754 -3.471 1.00 7.50 N +ANISOU 989 NE ARG A 118 675 640 1534 -48 123 -130 N +ATOM 990 CZ ARG A 118 -11.045 -10.619 -3.693 1.00 7.95 C +ANISOU 990 CZ ARG A 118 690 596 1735 45 165 -294 C +ATOM 991 NH1 ARG A 118 -12.371 -10.615 -3.931 1.00 9.57 N +ANISOU 991 NH1 ARG A 118 665 945 2028 24 35 -255 N +ATOM 992 NH2 ARG A 118 -10.412 -9.437 -3.693 1.00 6.98 N +ANISOU 992 NH2 ARG A 118 899 658 1094 -108 271 8 N +ATOM 993 N ASN A 119 -8.142 -13.940 -8.536 1.00 7.73 N +ANISOU 993 N ASN A 119 1170 643 1123 -118 55 -188 N +ATOM 994 CA ASN A 119 -8.191 -13.610 -9.946 1.00 7.97 C +ANISOU 994 CA ASN A 119 992 840 1196 -112 -42 -85 C +ATOM 995 C ASN A 119 -6.845 -13.898 -10.633 1.00 7.54 C +ANISOU 995 C ASN A 119 1028 730 1109 -7 9 -133 C +ATOM 996 O ASN A 119 -6.328 -12.995 -11.272 1.00 8.01 O +ANISOU 996 O ASN A 119 1189 771 1084 -97 49 -99 O +ATOM 997 CB ASN A 119 -8.527 -12.131 -10.173 1.00 7.75 C +ANISOU 997 CB ASN A 119 944 931 1072 178 -181 -146 C +ATOM 998 CG ASN A 119 -9.901 -11.834 -9.599 1.00 8.45 C +ANISOU 998 CG ASN A 119 902 1010 1299 -46 -78 28 C +ATOM 999 OD1 ASN A 119 -10.890 -12.117 -10.249 1.00 14.00 O +ANISOU 999 OD1 ASN A 119 971 2022 2326 316 -488 -767 O +ATOM 1000 ND2 ASN A 119 -9.921 -11.242 -8.405 1.00 8.51 N +ANISOU 1000 ND2 ASN A 119 850 893 1490 -97 208 -127 N +ATOM 1001 N PRO A 120 -6.302 -15.094 -10.452 1.00 7.62 N +ANISOU 1001 N PRO A 120 1039 781 1075 -79 18 29 N +ATOM 1002 CA PRO A 120 -4.909 -15.283 -10.813 1.00 8.22 C +ANISOU 1002 CA PRO A 120 1100 768 1256 9 110 -29 C +ATOM 1003 C PRO A 120 -4.692 -15.158 -12.308 1.00 8.67 C +ANISOU 1003 C PRO A 120 1116 982 1197 113 87 -131 C +ATOM 1004 O PRO A 120 -3.601 -14.765 -12.706 1.00 9.57 O +ANISOU 1004 O PRO A 120 980 1607 1049 170 65 -289 O +ATOM 1005 CB PRO A 120 -4.604 -16.699 -10.305 1.00 9.08 C +ANISOU 1005 CB PRO A 120 1435 694 1319 125 175 -171 C +ATOM 1006 CG PRO A 120 -5.960 -17.381 -10.341 1.00 10.83 C +ANISOU 1006 CG PRO A 120 1551 783 1781 -6 502 -30 C +ATOM 1007 CD PRO A 120 -6.893 -16.305 -9.864 1.00 8.92 C +ANISOU 1007 CD PRO A 120 1360 784 1246 -70 259 -39 C +ATOM 1008 N GLU A 121 -5.696 -15.438 -13.110 1.00 9.02 N +ANISOU 1008 N GLU A 121 1258 826 1341 -147 61 -184 N +ATOM 1009 CA GLU A 121 -5.523 -15.336 -14.547 1.00 9.73 C +ANISOU 1009 CA GLU A 121 1478 924 1293 349 -148 -248 C +ATOM 1010 C GLU A 121 -5.420 -13.908 -15.050 1.00 8.91 C +ANISOU 1010 C GLU A 121 1128 1043 1214 -197 199 -240 C +ATOM 1011 O GLU A 121 -5.126 -13.636 -16.212 1.00 12.41 O +ANISOU 1011 O GLU A 121 1971 1515 1230 -290 339 -207 O +ATOM 1012 CB GLU A 121 -6.678 -16.054 -15.272 1.00 11.61 C +ANISOU 1012 CB GLU A 121 1877 1192 1343 -466 147 -339 C +ATOM 1013 CG GLU A 121 -8.016 -15.380 -15.358 1.00 21.83 C +ANISOU 1013 CG GLU A 121 1618 4461 2215 44 -327 -306 C +ATOM 1014 CD GLU A 121 -8.782 -15.133 -14.060 1.00 21.90 C +ANISOU 1014 CD GLU A 121 1778 3662 2879 381 233 -323 C +ATOM 1015 OE1 GLU A 121 -8.484 -15.642 -12.949 1.00 19.90 O +ANISOU 1015 OE1 GLU A 121 2515 2603 2442 -1207 272 -474 O +ATOM 1016 OE2 GLU A 121 -9.785 -14.393 -14.181 1.00 28.50 O +ANISOU 1016 OE2 GLU A 121 2921 2039 5870 692 606 -534 O +ATOM 1017 N ARG A 122 -5.729 -12.950 -14.177 1.00 7.58 N +ANISOU 1017 N ARG A 122 1012 825 1043 -78 -52 -85 N +ATOM 1018 CA ARG A 122 -5.729 -11.538 -14.534 1.00 8.28 C +ANISOU 1018 CA ARG A 122 918 899 1330 -80 -93 126 C +ATOM 1019 C ARG A 122 -4.499 -10.789 -14.026 1.00 9.37 C +ANISOU 1019 C ARG A 122 1076 774 1711 25 -387 -132 C +ATOM 1020 O ARG A 122 -4.446 -9.570 -14.153 1.00 11.14 O +ANISOU 1020 O ARG A 122 1260 813 2160 -72 -468 311 O +ATOM 1021 CB ARG A 122 -6.996 -10.901 -13.972 1.00 8.66 C +ANISOU 1021 CB ARG A 122 1045 842 1403 -84 -72 6 C +ATOM 1022 CG ARG A 122 -8.237 -11.353 -14.749 1.00 8.94 C +ANISOU 1022 CG ARG A 122 948 741 1707 -18 -86 -161 C +ATOM 1023 CD ARG A 122 -9.499 -11.003 -13.983 1.00 10.72 C +ANISOU 1023 CD ARG A 122 1000 1129 1942 41 -29 -254 C +ATOM 1024 NE ARG A 122 -9.817 -9.584 -14.045 1.00 9.18 N +ANISOU 1024 NE ARG A 122 902 1186 1399 144 52 -112 N +ATOM 1025 CZ ARG A 122 -10.796 -9.033 -13.343 1.00 8.72 C +ANISOU 1025 CZ ARG A 122 729 1326 1259 150 -95 -144 C +ATOM 1026 NH1 ARG A 122 -11.520 -9.766 -12.507 1.00 11.80 N +ANISOU 1026 NH1 ARG A 122 956 1824 1701 -20 160 -45 N +ATOM 1027 NH2 ARG A 122 -11.064 -7.746 -13.457 1.00 11.18 N +ANISOU 1027 NH2 ARG A 122 1307 1338 1602 408 -431 -275 N +ATOM 1028 N VAL A 123 -3.535 -11.518 -13.470 1.00 7.12 N +ANISOU 1028 N VAL A 123 889 678 1138 107 -20 -236 N +ATOM 1029 CA VAL A 123 -2.358 -10.827 -12.939 1.00 6.99 C +ANISOU 1029 CA VAL A 123 886 742 1028 22 -65 -89 C +ATOM 1030 C VAL A 123 -1.134 -11.264 -13.730 1.00 6.75 C +ANISOU 1030 C VAL A 123 883 676 1005 150 -144 -32 C +ATOM 1031 O VAL A 123 -0.730 -12.430 -13.679 1.00 8.54 O +ANISOU 1031 O VAL A 123 1337 688 1221 274 -38 -36 O +ATOM 1032 CB VAL A 123 -2.177 -11.106 -11.451 1.00 7.71 C +ANISOU 1032 CB VAL A 123 893 947 1089 65 -53 45 C +ATOM 1033 CG1 VAL A 123 -0.888 -10.461 -10.937 1.00 7.33 C +ANISOU 1033 CG1 VAL A 123 927 993 865 135 -36 -114 C +ATOM 1034 CG2 VAL A 123 -3.342 -10.598 -10.647 1.00 10.56 C +ANISOU 1034 CG2 VAL A 123 991 1830 1189 -41 88 -305 C +ATOM 1035 N LYS A 124 -0.551 -10.307 -14.450 1.00 6.77 N +ANISOU 1035 N LYS A 124 757 629 1185 224 -9 -140 N +ATOM 1036 CA LYS A 124 0.609 -10.601 -15.296 1.00 6.47 C +ANISOU 1036 CA LYS A 124 890 526 1040 173 33 -272 C +ATOM 1037 C LYS A 124 1.943 -10.442 -14.560 1.00 5.60 C +ANISOU 1037 C LYS A 124 781 755 590 6 257 -75 C +ATOM 1038 O LYS A 124 2.976 -10.917 -15.033 1.00 7.06 O +ANISOU 1038 O LYS A 124 868 917 898 50 271 -205 O +ATOM 1039 CB LYS A 124 0.603 -9.697 -16.511 1.00 9.06 C +ANISOU 1039 CB LYS A 124 1106 1197 1138 329 -40 72 C +ATOM 1040 CG LYS A 124 -0.455 -9.895 -17.600 1.00 14.39 C +ANISOU 1040 CG LYS A 124 1923 2139 1404 336 -581 -7 C +ATOM 1041 CD LYS A 124 0.131 -9.466 -18.978 1.00 20.78 C +ANISOU 1041 CD LYS A 124 2328 4350 1216 -72 -324 -381 C +ATOM 1042 CE LYS A 124 -0.950 -9.319 -20.028 1.00 20.16 C +ANISOU 1042 CE LYS A 124 2319 4237 1103 -570 -186 150 C +ATOM 1043 NZ LYS A 124 -0.426 -8.853 -21.331 1.00 15.69 N +ANISOU 1043 NZ LYS A 124 2305 2059 1599 311 230 296 N +ATOM 1044 N GLY A 125 1.950 -9.776 -13.419 1.00 5.44 N +ANISOU 1044 N GLY A 125 852 491 723 73 170 -97 N +ATOM 1045 CA GLY A 125 3.157 -9.594 -12.629 1.00 5.50 C +ANISOU 1045 CA GLY A 125 890 547 654 58 208 -115 C +ATOM 1046 C GLY A 125 2.821 -8.873 -11.342 1.00 4.63 C +ANISOU 1046 C GLY A 125 731 340 688 213 86 -55 C +ATOM 1047 O GLY A 125 1.824 -8.167 -11.292 1.00 4.76 O +ANISOU 1047 O GLY A 125 586 500 721 157 55 -63 O +ATOM 1048 N ILE A 126 3.650 -9.049 -10.319 1.00 4.48 N +ANISOU 1048 N ILE A 126 554 435 712 99 73 -126 N +ATOM 1049 CA ILE A 126 3.479 -8.345 -9.071 1.00 4.72 C +ANISOU 1049 CA ILE A 126 645 456 692 166 86 -113 C +ATOM 1050 C ILE A 126 4.806 -7.740 -8.647 1.00 4.82 C +ANISOU 1050 C ILE A 126 672 524 636 111 27 -67 C +ATOM 1051 O ILE A 126 5.780 -8.470 -8.404 1.00 5.37 O +ANISOU 1051 O ILE A 126 659 555 826 160 138 -138 O +ATOM 1052 CB ILE A 126 2.941 -9.244 -7.926 1.00 5.97 C +ANISOU 1052 CB ILE A 126 812 681 774 70 250 -133 C +ATOM 1053 CG1 ILE A 126 1.647 -9.937 -8.363 1.00 5.74 C +ANISOU 1053 CG1 ILE A 126 767 580 832 147 305 -122 C +ATOM 1054 CG2 ILE A 126 2.798 -8.402 -6.676 1.00 6.78 C +ANISOU 1054 CG2 ILE A 126 1348 403 826 30 390 -71 C +ATOM 1055 CD1 ILE A 126 1.063 -10.940 -7.364 1.00 7.08 C +ANISOU 1055 CD1 ILE A 126 1004 678 1010 -32 278 -115 C +ATOM 1056 N ALA A 127 4.861 -6.426 -8.575 1.00 4.57 N +ANISOU 1056 N ALA A 127 726 466 544 34 8 61 N +ATOM 1057 CA ALA A 127 5.940 -5.693 -7.946 1.00 4.62 C +ANISOU 1057 CA ALA A 127 583 584 589 60 106 16 C +ATOM 1058 C ALA A 127 5.489 -5.346 -6.520 1.00 4.59 C +ANISOU 1058 C ALA A 127 682 451 612 190 118 -144 C +ATOM 1059 O ALA A 127 4.393 -4.824 -6.342 1.00 5.58 O +ANISOU 1059 O ALA A 127 696 745 680 313 77 -54 O +ATOM 1060 CB ALA A 127 6.288 -4.439 -8.735 1.00 5.34 C +ANISOU 1060 CB ALA A 127 807 613 609 -16 -45 112 C +ATOM 1061 N CYS A 128 6.300 -5.720 -5.536 1.00 4.39 N +ANISOU 1061 N CYS A 128 582 497 590 193 130 -169 N +ATOM 1062 CA CYS A 128 5.895 -5.562 -4.146 1.00 5.03 C +ANISOU 1062 CA CYS A 128 554 768 591 96 161 -67 C +ATOM 1063 C CYS A 128 7.071 -5.076 -3.316 1.00 3.90 C +ANISOU 1063 C CYS A 128 495 472 514 202 175 -13 C +ATOM 1064 O CYS A 128 8.218 -5.164 -3.719 1.00 4.62 O +ANISOU 1064 O CYS A 128 530 575 651 110 210 -192 O +ATOM 1065 CB CYS A 128 5.276 -6.842 -3.594 1.00 5.49 C +ANISOU 1065 CB CYS A 128 574 824 688 50 193 -121 C +ATOM 1066 SG CYS A 128 6.352 -8.291 -3.695 1.00 7.47 S +ANISOU 1066 SG CYS A 128 864 749 1224 73 152 -18 S +ATOM 1067 N MET A 129 6.738 -4.562 -2.149 1.00 4.98 N +ANISOU 1067 N MET A 129 573 693 625 62 222 -167 N +ATOM 1068 CA MET A 129 7.725 -4.006 -1.253 1.00 4.85 C +ANISOU 1068 CA MET A 129 698 559 583 278 187 -236 C +ATOM 1069 C MET A 129 7.082 -3.906 0.119 1.00 4.61 C +ANISOU 1069 C MET A 129 650 476 625 225 137 -143 C +ATOM 1070 O MET A 129 5.938 -3.473 0.156 1.00 5.02 O +ANISOU 1070 O MET A 129 542 736 631 279 148 -61 O +ATOM 1071 CB MET A 129 8.201 -2.632 -1.779 1.00 6.55 C +ANISOU 1071 CB MET A 129 802 761 926 -9 362 -125 C +ATOM 1072 CG MET A 129 7.068 -1.596 -1.947 1.00 6.79 C +ANISOU 1072 CG MET A 129 1021 517 1042 64 537 -68 C +ATOM 1073 SD MET A 129 7.366 -0.439 -3.350 1.00 8.87 S +ANISOU 1073 SD MET A 129 1228 885 1258 57 360 153 S +ATOM 1074 CE MET A 129 6.926 -1.464 -4.715 1.00 9.85 C +ANISOU 1074 CE MET A 129 1076 1630 1036 275 164 -16 C +ATOM 1075 N GLU A 130 7.799 -4.272 1.171 1.00 4.32 N +ANISOU 1075 N GLU A 130 466 636 540 180 211 -30 N +ATOM 1076 CA GLU A 130 7.329 -4.011 2.545 1.00 4.82 C +ANISOU 1076 CA GLU A 130 526 703 604 75 252 -254 C +ATOM 1077 C GLU A 130 5.853 -4.428 2.698 1.00 4.47 C +ANISOU 1077 C GLU A 130 554 623 523 85 405 -225 C +ATOM 1078 O GLU A 130 4.971 -3.678 3.062 1.00 5.25 O +ANISOU 1078 O GLU A 130 552 547 894 14 389 -149 O +ATOM 1079 CB GLU A 130 7.593 -2.577 2.940 1.00 4.88 C +ANISOU 1079 CB GLU A 130 625 607 622 71 199 -30 C +ATOM 1080 CG GLU A 130 9.037 -2.378 3.406 1.00 4.88 C +ANISOU 1080 CG GLU A 130 651 624 581 53 155 -33 C +ATOM 1081 CD GLU A 130 9.279 -2.947 4.785 1.00 4.79 C +ANISOU 1081 CD GLU A 130 856 330 633 201 213 -44 C +ATOM 1082 OE1 GLU A 130 8.410 -2.709 5.682 1.00 4.93 O +ANISOU 1082 OE1 GLU A 130 766 566 542 256 223 59 O +ATOM 1083 OE2 GLU A 130 10.319 -3.633 4.997 1.00 5.32 O +ANISOU 1083 OE2 GLU A 130 750 580 690 194 242 69 O +ATOM 1084 N PHE A 131 5.632 -5.681 2.290 1.00 5.33 N +ANISOU 1084 N PHE A 131 427 644 955 101 277 -189 N +ATOM 1085 CA PHE A 131 4.291 -6.231 2.164 1.00 4.91 C +ANISOU 1085 CA PHE A 131 527 457 880 106 238 -34 C +ATOM 1086 C PHE A 131 3.897 -6.983 3.432 1.00 4.95 C +ANISOU 1086 C PHE A 131 683 325 874 66 128 -42 C +ATOM 1087 O PHE A 131 4.719 -7.335 4.291 1.00 6.59 O +ANISOU 1087 O PHE A 131 815 755 933 90 30 -18 O +ATOM 1088 CB PHE A 131 4.225 -7.102 0.917 1.00 5.42 C +ANISOU 1088 CB PHE A 131 526 714 819 181 67 -35 C +ATOM 1089 CG PHE A 131 4.998 -8.392 0.936 1.00 5.96 C +ANISOU 1089 CG PHE A 131 691 546 1027 159 231 -117 C +ATOM 1090 CD1 PHE A 131 4.536 -9.562 1.515 1.00 6.69 C +ANISOU 1090 CD1 PHE A 131 727 652 1162 35 40 -51 C +ATOM 1091 CD2 PHE A 131 6.251 -8.479 0.352 1.00 7.80 C +ANISOU 1091 CD2 PHE A 131 947 643 1373 239 545 -218 C +ATOM 1092 CE1 PHE A 131 5.221 -10.733 1.521 1.00 7.63 C +ANISOU 1092 CE1 PHE A 131 1026 570 1304 43 266 93 C +ATOM 1093 CE2 PHE A 131 6.965 -9.657 0.350 1.00 9.38 C +ANISOU 1093 CE2 PHE A 131 824 595 2143 150 645 -195 C +ATOM 1094 CZ PHE A 131 6.469 -10.798 0.943 1.00 9.77 C +ANISOU 1094 CZ PHE A 131 1019 688 2006 34 468 -89 C +ATOM 1095 N ILE A 132 2.599 -7.227 3.534 1.00 4.82 N +ANISOU 1095 N ILE A 132 714 482 637 47 164 112 N +ATOM 1096 CA ILE A 132 2.011 -7.899 4.683 1.00 4.96 C +ANISOU 1096 CA ILE A 132 838 613 433 198 254 -22 C +ATOM 1097 C ILE A 132 1.977 -9.410 4.481 1.00 5.83 C +ANISOU 1097 C ILE A 132 898 553 765 -12 187 99 C +ATOM 1098 O ILE A 132 1.411 -9.954 3.507 1.00 6.30 O +ANISOU 1098 O ILE A 132 1072 522 799 -49 193 36 O +ATOM 1099 CB ILE A 132 0.590 -7.369 4.990 1.00 5.93 C +ANISOU 1099 CB ILE A 132 748 689 814 78 262 -5 C +ATOM 1100 CG1 ILE A 132 0.668 -5.932 5.500 1.00 6.00 C +ANISOU 1100 CG1 ILE A 132 890 554 837 175 352 41 C +ATOM 1101 CG2 ILE A 132 -0.144 -8.285 5.967 1.00 7.33 C +ANISOU 1101 CG2 ILE A 132 850 608 1326 85 471 91 C +ATOM 1102 CD1 ILE A 132 -0.648 -5.228 5.613 1.00 6.74 C +ANISOU 1102 CD1 ILE A 132 811 774 975 169 314 -86 C +ATOM 1103 N ARG A 133 2.572 -10.103 5.418 1.00 6.12 N +ANISOU 1103 N ARG A 133 1079 531 716 6 239 111 N +ATOM 1104 CA ARG A 133 2.457 -11.535 5.572 1.00 6.38 C +ANISOU 1104 CA ARG A 133 1174 388 861 190 338 -50 C +ATOM 1105 C ARG A 133 2.187 -11.777 7.047 1.00 5.94 C +ANISOU 1105 C ARG A 133 911 498 848 69 -29 181 C +ATOM 1106 O ARG A 133 2.266 -10.863 7.869 1.00 6.32 O +ANISOU 1106 O ARG A 133 939 651 812 65 190 8 O +ATOM 1107 CB ARG A 133 3.678 -12.246 5.060 1.00 10.28 C +ANISOU 1107 CB ARG A 133 1197 839 1870 203 471 -335 C +ATOM 1108 CG ARG A 133 4.925 -11.949 5.780 1.00 8.32 C +ANISOU 1108 CG ARG A 133 1264 800 1096 225 424 40 C +ATOM 1109 CD ARG A 133 6.092 -12.722 5.130 1.00 12.54 C +ANISOU 1109 CD ARG A 133 1353 977 2435 614 -12 -529 C +ATOM 1110 NE ARG A 133 7.252 -12.456 5.953 1.00 14.94 N +ANISOU 1110 NE ARG A 133 1148 1877 2649 130 233 -891 N +ATOM 1111 CZ ARG A 133 8.429 -13.049 5.743 1.00 11.06 C +ANISOU 1111 CZ ARG A 133 1306 1370 1524 340 145 5 C +ATOM 1112 NH1 ARG A 133 9.415 -12.726 6.555 1.00 15.46 N +ANISOU 1112 NH1 ARG A 133 1635 1822 2418 396 -441 -113 N +ATOM 1113 NH2 ARG A 133 8.538 -13.907 4.735 1.00 14.19 N +ANISOU 1113 NH2 ARG A 133 1969 1857 1564 468 431 -232 N +ATOM 1114 N PRO A 134 1.867 -13.006 7.461 1.00 6.40 N +ANISOU 1114 N PRO A 134 999 595 838 -78 330 45 N +ATOM 1115 CA PRO A 134 1.590 -13.185 8.907 1.00 6.27 C +ANISOU 1115 CA PRO A 134 886 678 819 -51 323 32 C +ATOM 1116 C PRO A 134 2.844 -12.884 9.714 1.00 6.36 C +ANISOU 1116 C PRO A 134 880 597 942 127 262 -102 C +ATOM 1117 O PRO A 134 3.951 -13.237 9.277 1.00 7.33 O +ANISOU 1117 O PRO A 134 910 821 1053 245 310 -102 O +ATOM 1118 CB PRO A 134 1.228 -14.663 9.009 1.00 7.99 C +ANISOU 1118 CB PRO A 134 1227 741 1068 -201 320 163 C +ATOM 1119 CG PRO A 134 0.779 -15.040 7.609 1.00 7.95 C +ANISOU 1119 CG PRO A 134 1401 486 1133 -28 195 115 C +ATOM 1120 CD PRO A 134 1.731 -14.262 6.765 1.00 7.09 C +ANISOU 1120 CD PRO A 134 1134 666 895 -80 58 -6 C +ATOM 1121 N ILE A 135 2.672 -12.252 10.853 1.00 5.89 N +ANISOU 1121 N ILE A 135 910 621 708 99 351 67 N +ATOM 1122 CA ILE A 135 3.753 -12.007 11.819 1.00 5.98 C +ANISOU 1122 CA ILE A 135 951 653 669 235 413 -71 C +ATOM 1123 C ILE A 135 3.419 -12.908 13.000 1.00 6.69 C +ANISOU 1123 C ILE A 135 1142 761 639 339 374 18 C +ATOM 1124 O ILE A 135 2.597 -12.526 13.824 1.00 7.09 O +ANISOU 1124 O ILE A 135 1184 771 740 194 499 -4 O +ATOM 1125 CB ILE A 135 3.871 -10.531 12.170 1.00 6.84 C +ANISOU 1125 CB ILE A 135 855 712 1031 111 441 -146 C +ATOM 1126 CG1 ILE A 135 4.006 -9.616 10.952 1.00 8.08 C +ANISOU 1126 CG1 ILE A 135 1421 574 1074 267 156 -73 C +ATOM 1127 CG2 ILE A 135 5.049 -10.394 13.137 1.00 8.64 C +ANISOU 1127 CG2 ILE A 135 1537 561 1183 15 0 60 C +ATOM 1128 CD1 ILE A 135 2.696 -9.007 10.482 1.00 10.74 C +ANISOU 1128 CD1 ILE A 135 1313 1194 1575 -118 -188 172 C +ATOM 1129 N PRO A 136 3.900 -14.156 13.020 1.00 7.46 N +ANISOU 1129 N PRO A 136 1110 742 983 287 495 75 N +ATOM 1130 CA PRO A 136 3.217 -15.112 13.913 1.00 8.10 C +ANISOU 1130 CA PRO A 136 1367 765 946 26 374 22 C +ATOM 1131 C PRO A 136 3.334 -14.841 15.407 1.00 7.70 C +ANISOU 1131 C PRO A 136 1283 704 941 116 392 -32 C +ATOM 1132 O PRO A 136 2.435 -15.306 16.160 1.00 7.71 O +ANISOU 1132 O PRO A 136 1277 612 1041 216 430 72 O +ATOM 1133 CB PRO A 136 3.886 -16.429 13.543 1.00 11.18 C +ANISOU 1133 CB PRO A 136 2300 737 1211 103 700 -92 C +ATOM 1134 CG PRO A 136 4.308 -16.188 12.116 1.00 14.75 C +ANISOU 1134 CG PRO A 136 3353 905 1347 293 1072 -98 C +ATOM 1135 CD PRO A 136 4.860 -14.779 12.114 1.00 8.97 C +ANISOU 1135 CD PRO A 136 1602 896 911 549 525 81 C +ATOM 1136 N THR A 137 4.354 -14.174 15.871 1.00 7.25 N +ANISOU 1136 N THR A 137 1097 806 851 231 423 -16 N +ATOM 1137 CA THR A 137 4.510 -13.771 17.256 1.00 7.19 C +ANISOU 1137 CA THR A 137 1087 781 864 346 312 17 C +ATOM 1138 C THR A 137 5.014 -12.352 17.328 1.00 6.41 C +ANISOU 1138 C THR A 137 932 844 660 237 220 79 C +ATOM 1139 O THR A 137 5.569 -11.822 16.341 1.00 7.97 O +ANISOU 1139 O THR A 137 1027 1080 921 169 362 154 O +ATOM 1140 CB THR A 137 5.484 -14.674 18.024 1.00 8.84 C +ANISOU 1140 CB THR A 137 1259 956 1143 352 214 255 C +ATOM 1141 OG1 THR A 137 6.746 -14.572 17.364 1.00 11.34 O +ANISOU 1141 OG1 THR A 137 1005 1528 1776 331 141 214 O +ATOM 1142 CG2 THR A 137 5.083 -16.129 17.979 1.00 9.42 C +ANISOU 1142 CG2 THR A 137 1489 902 1189 366 119 112 C +ATOM 1143 N TRP A 138 4.858 -11.670 18.442 1.00 7.27 N +ANISOU 1143 N TRP A 138 1132 830 800 420 190 18 N +ATOM 1144 CA TRP A 138 5.339 -10.304 18.613 1.00 7.49 C +ANISOU 1144 CA TRP A 138 1063 882 899 416 89 -4 C +ATOM 1145 C TRP A 138 6.843 -10.205 18.501 1.00 9.16 C +ANISOU 1145 C TRP A 138 1054 1099 1326 362 177 103 C +ATOM 1146 O TRP A 138 7.364 -9.173 18.079 1.00 9.24 O +ANISOU 1146 O TRP A 138 1254 1146 1109 230 26 97 O +ATOM 1147 CB TRP A 138 4.825 -9.680 19.916 1.00 7.58 C +ANISOU 1147 CB TRP A 138 1187 932 759 245 111 -48 C +ATOM 1148 CG TRP A 138 3.436 -9.111 19.745 1.00 7.44 C +ANISOU 1148 CG TRP A 138 1220 850 755 296 139 -97 C +ATOM 1149 CD1 TRP A 138 2.253 -9.596 20.200 1.00 7.72 C +ANISOU 1149 CD1 TRP A 138 1269 665 998 369 356 -125 C +ATOM 1150 CD2 TRP A 138 3.129 -7.910 19.034 1.00 7.88 C +ANISOU 1150 CD2 TRP A 138 1198 921 876 214 121 7 C +ATOM 1151 NE1 TRP A 138 1.219 -8.782 19.822 1.00 8.98 N +ANISOU 1151 NE1 TRP A 138 1260 955 1196 324 380 97 N +ATOM 1152 CE2 TRP A 138 1.743 -7.729 19.107 1.00 7.47 C +ANISOU 1152 CE2 TRP A 138 1170 888 779 210 175 -16 C +ATOM 1153 CE3 TRP A 138 3.898 -6.969 18.355 1.00 7.14 C +ANISOU 1153 CE3 TRP A 138 981 775 955 297 99 -74 C +ATOM 1154 CZ2 TRP A 138 1.101 -6.652 18.528 1.00 7.56 C +ANISOU 1154 CZ2 TRP A 138 1171 683 1020 255 334 -160 C +ATOM 1155 CZ3 TRP A 138 3.253 -5.878 17.763 1.00 7.42 C +ANISOU 1155 CZ3 TRP A 138 940 697 1181 272 35 -74 C +ATOM 1156 CH2 TRP A 138 1.881 -5.742 17.857 1.00 7.78 C +ANISOU 1156 CH2 TRP A 138 937 773 1246 224 67 63 C +ATOM 1157 N ASP A 139 7.544 -11.286 18.834 1.00 8.87 N +ANISOU 1157 N ASP A 139 933 1217 1218 361 150 206 N +ATOM 1158 CA ASP A 139 8.988 -11.235 18.668 1.00 10.00 C +ANISOU 1158 CA ASP A 139 831 1558 1410 173 -52 196 C +ATOM 1159 C ASP A 139 9.375 -11.151 17.199 1.00 10.91 C +ANISOU 1159 C ASP A 139 916 1710 1518 144 237 -47 C +ATOM 1160 O ASP A 139 10.481 -10.719 16.889 1.00 13.58 O +ANISOU 1160 O ASP A 139 1087 2298 1774 -36 192 378 O +ATOM 1161 CB ASP A 139 9.667 -12.452 19.289 1.00 13.54 C +ANISOU 1161 CB ASP A 139 977 1892 2276 521 -42 460 C +ATOM 1162 CG ASP A 139 9.763 -12.385 20.811 1.00 28.85 C +ANISOU 1162 CG ASP A 139 5239 3208 2514 1335 -2209 222 C +ATOM 1163 OD1 ASP A 139 10.005 -13.462 21.416 1.00 36.99 O +ANISOU 1163 OD1 ASP A 139 7542 3742 2771 1644 -953 1024 O +ATOM 1164 OD2 ASP A 139 9.606 -11.308 21.458 1.00 28.20 O +ANISOU 1164 OD2 ASP A 139 5114 3384 2215 331 -452 159 O +ATOM 1165 N GLU A 140 8.497 -11.525 16.290 1.00 9.10 N +ANISOU 1165 N GLU A 140 1124 1035 1300 89 398 -80 N +ATOM 1166 CA GLU A 140 8.765 -11.408 14.864 1.00 10.03 C +ANISOU 1166 CA GLU A 140 1148 1319 1344 336 478 -72 C +ATOM 1167 C GLU A 140 8.402 -10.052 14.253 1.00 9.55 C +ANISOU 1167 C GLU A 140 1059 1415 1156 316 218 -58 C +ATOM 1168 O GLU A 140 8.628 -9.810 13.047 1.00 10.87 O +ANISOU 1168 O GLU A 140 1396 1645 1091 362 342 -72 O +ATOM 1169 CB GLU A 140 8.096 -12.570 14.113 1.00 9.88 C +ANISOU 1169 CB GLU A 140 1065 1396 1293 428 298 -91 C +ATOM 1170 CG GLU A 140 8.707 -13.902 14.562 1.00 15.16 C +ANISOU 1170 CG GLU A 140 1746 1350 2664 766 46 -221 C +ATOM 1171 CD GLU A 140 7.940 -15.102 14.058 1.00 16.54 C +ANISOU 1171 CD GLU A 140 2148 1450 2688 408 1059 -614 C +ATOM 1172 OE1 GLU A 140 6.979 -15.589 14.727 1.00 17.67 O +ANISOU 1172 OE1 GLU A 140 1807 2025 2880 491 1041 -500 O +ATOM 1173 OE2 GLU A 140 8.281 -15.531 12.935 1.00 28.88 O +ANISOU 1173 OE2 GLU A 140 3534 3455 3982 -818 2449 -2190 O +ATOM 1174 N TRP A 141 7.864 -9.170 15.088 1.00 8.91 N +ANISOU 1174 N TRP A 141 1227 1172 985 252 334 132 N +ATOM 1175 CA TRP A 141 7.647 -7.760 14.759 1.00 8.35 C +ANISOU 1175 CA TRP A 141 1026 1225 921 221 256 177 C +ATOM 1176 C TRP A 141 8.898 -6.959 15.104 1.00 8.61 C +ANISOU 1176 C TRP A 141 1051 1173 1049 227 190 108 C +ATOM 1177 O TRP A 141 9.504 -7.296 16.128 1.00 10.09 O +ANISOU 1177 O TRP A 141 1153 1535 1146 -7 100 311 O +ATOM 1178 CB TRP A 141 6.446 -7.205 15.494 1.00 8.21 C +ANISOU 1178 CB TRP A 141 1098 1102 920 97 347 96 C +ATOM 1179 CG TRP A 141 6.011 -5.821 15.084 1.00 7.81 C +ANISOU 1179 CG TRP A 141 801 1144 1022 124 165 23 C +ATOM 1180 CD1 TRP A 141 6.324 -4.650 15.724 1.00 8.93 C +ANISOU 1180 CD1 TRP A 141 893 1235 1264 224 -88 -143 C +ATOM 1181 CD2 TRP A 141 5.203 -5.454 13.942 1.00 7.84 C +ANISOU 1181 CD2 TRP A 141 956 1166 858 334 221 -200 C +ATOM 1182 NE1 TRP A 141 5.758 -3.591 15.070 1.00 9.23 N +ANISOU 1182 NE1 TRP A 141 960 1184 1364 357 -99 -273 N +ATOM 1183 CE2 TRP A 141 5.064 -4.053 13.972 1.00 8.54 C +ANISOU 1183 CE2 TRP A 141 763 1179 1302 317 -36 -183 C +ATOM 1184 CE3 TRP A 141 4.601 -6.212 12.939 1.00 7.33 C +ANISOU 1184 CE3 TRP A 141 673 1127 986 -14 172 100 C +ATOM 1185 CZ2 TRP A 141 4.325 -3.368 13.000 1.00 7.78 C +ANISOU 1185 CZ2 TRP A 141 700 1102 1154 171 167 -78 C +ATOM 1186 CZ3 TRP A 141 3.881 -5.529 11.992 1.00 7.49 C +ANISOU 1186 CZ3 TRP A 141 1067 1099 682 183 285 17 C +ATOM 1187 CH2 TRP A 141 3.763 -4.139 12.036 1.00 7.19 C +ANISOU 1187 CH2 TRP A 141 539 1157 1035 171 212 19 C +ATOM 1188 N PRO A 142 9.341 -5.983 14.335 1.00 7.92 N +ANISOU 1188 N PRO A 142 1030 784 1195 393 88 40 N +ATOM 1189 CA PRO A 142 10.589 -5.292 14.665 1.00 9.77 C +ANISOU 1189 CA PRO A 142 1391 1038 1283 11 3 35 C +ATOM 1190 C PRO A 142 10.547 -4.635 16.045 1.00 10.18 C +ANISOU 1190 C PRO A 142 1261 1276 1331 399 -84 -59 C +ATOM 1191 O PRO A 142 9.596 -3.943 16.444 1.00 10.55 O +ANISOU 1191 O PRO A 142 1051 1594 1365 322 55 4 O +ATOM 1192 CB PRO A 142 10.735 -4.225 13.590 1.00 12.39 C +ANISOU 1192 CB PRO A 142 1957 1306 1445 -197 217 167 C +ATOM 1193 CG PRO A 142 9.807 -4.615 12.533 1.00 13.08 C +ANISOU 1193 CG PRO A 142 2063 1465 1440 -29 -19 420 C +ATOM 1194 CD PRO A 142 8.730 -5.449 13.108 1.00 9.32 C +ANISOU 1194 CD PRO A 142 1432 1016 1095 434 49 96 C +ATOM 1195 N GLU A 143 11.582 -4.853 16.841 1.00 10.41 N +ANISOU 1195 N GLU A 143 894 1913 1149 222 169 45 N +ATOM 1196 CA AGLU A 143 11.664 -4.386 18.227 0.60 11.58 C +ANISOU 1196 CA AGLU A 143 1147 2135 1117 415 157 30 C +ATOM 1197 CA BGLU A 143 11.655 -4.387 18.220 0.40 11.61 C +ANISOU 1197 CA BGLU A 143 1166 2134 1111 446 114 56 C +ATOM 1198 C GLU A 143 11.355 -2.898 18.340 1.00 11.34 C +ANISOU 1198 C GLU A 143 910 2151 1249 329 -91 -171 C +ATOM 1199 O GLU A 143 10.608 -2.491 19.203 1.00 13.52 O +ANISOU 1199 O GLU A 143 1485 2420 1234 495 6 -367 O +ATOM 1200 CB AGLU A 143 13.064 -4.658 18.808 0.60 19.14 C +ANISOU 1200 CB AGLU A 143 2097 3212 1962 1320 -869 -426 C +ATOM 1201 CB BGLU A 143 13.049 -4.660 18.815 0.40 18.03 C +ANISOU 1201 CB BGLU A 143 2063 3189 1599 1190 -707 131 C +ATOM 1202 CG AGLU A 143 13.136 -4.783 20.313 0.60 26.10 C +ANISOU 1202 CG AGLU A 143 3368 4554 1996 1353 -1318 -657 C +ATOM 1203 CG BGLU A 143 13.228 -4.119 20.217 0.40 23.61 C +ANISOU 1203 CG BGLU A 143 2199 4503 2267 2361 -1152 -983 C +ATOM 1204 CD AGLU A 143 14.534 -5.029 20.848 0.60 32.81 C +ANISOU 1204 CD AGLU A 143 3730 6155 2583 1451 -2000 -927 C +ATOM 1205 CD BGLU A 143 13.988 -2.810 20.300 0.40 30.32 C +ANISOU 1205 CD BGLU A 143 3364 5773 2382 999 -1909 -1211 C +ATOM 1206 OE1AGLU A 143 15.404 -4.167 20.595 0.60 37.76 O +ANISOU 1206 OE1AGLU A 143 3315 6201 4832 1479 -1734 -1420 O +ATOM 1207 OE1BGLU A 143 14.295 -2.237 19.231 0.40 33.62 O +ANISOU 1207 OE1BGLU A 143 3027 5679 4069 1541 -2648 804 O +ATOM 1208 OE2AGLU A 143 14.799 -6.051 21.525 0.60 39.19 O +ANISOU 1208 OE2AGLU A 143 3886 6618 4385 2331 -2118 -359 O +ATOM 1209 OE2BGLU A 143 14.252 -2.351 21.431 0.40 70.50 O +ANISOU 1209 OE2BGLU A 143 9932 13284 3570 -4714 -1676 -3436 O +ATOM 1210 N PHE A 144 11.951 -2.087 17.459 1.00 12.73 N +ANISOU 1210 N PHE A 144 1032 2021 1786 186 -58 -23 N +ATOM 1211 CA PHE A 144 11.805 -0.631 17.628 1.00 13.82 C +ANISOU 1211 CA PHE A 144 1287 2086 1880 114 -165 -274 C +ATOM 1212 C PHE A 144 10.349 -0.183 17.556 1.00 13.08 C +ANISOU 1212 C PHE A 144 1203 1793 1974 79 9 -112 C +ATOM 1213 O PHE A 144 9.995 0.882 18.060 1.00 14.96 O +ANISOU 1213 O PHE A 144 1539 1889 2256 255 -409 -301 O +ATOM 1214 CB PHE A 144 12.639 0.165 16.601 1.00 12.94 C +ANISOU 1214 CB PHE A 144 869 1771 2279 54 -233 -282 C +ATOM 1215 CG PHE A 144 11.963 0.329 15.236 1.00 13.37 C +ANISOU 1215 CG PHE A 144 1356 1819 1903 333 89 -283 C +ATOM 1216 CD1 PHE A 144 11.949 -0.694 14.290 1.00 12.50 C +ANISOU 1216 CD1 PHE A 144 1161 1922 1666 247 472 -221 C +ATOM 1217 CD2 PHE A 144 11.356 1.524 14.920 1.00 13.63 C +ANISOU 1217 CD2 PHE A 144 1959 1578 1642 47 153 54 C +ATOM 1218 CE1 PHE A 144 11.326 -0.497 13.078 1.00 13.95 C +ANISOU 1218 CE1 PHE A 144 1294 2038 1968 709 124 -510 C +ATOM 1219 CE2 PHE A 144 10.708 1.747 13.714 1.00 19.99 C +ANISOU 1219 CE2 PHE A 144 3353 1777 2464 763 -1091 -631 C +ATOM 1220 CZ PHE A 144 10.720 0.719 12.782 1.00 16.23 C +ANISOU 1220 CZ PHE A 144 2070 1749 2348 488 -380 -552 C +ATOM 1221 N ALA A 145 9.499 -0.980 16.939 1.00 12.54 N +ANISOU 1221 N ALA A 145 1034 2162 1570 353 81 -466 N +ATOM 1222 CA ALA A 145 8.126 -0.590 16.654 1.00 10.65 C +ANISOU 1222 CA ALA A 145 1059 1495 1492 356 166 -439 C +ATOM 1223 C ALA A 145 7.129 -1.413 17.461 1.00 10.15 C +ANISOU 1223 C ALA A 145 982 1696 1179 382 -63 -244 C +ATOM 1224 O ALA A 145 5.931 -1.308 17.274 1.00 11.41 O +ANISOU 1224 O ALA A 145 875 1805 1653 443 14 -527 O +ATOM 1225 CB ALA A 145 7.839 -0.743 15.187 1.00 12.15 C +ANISOU 1225 CB ALA A 145 1161 1979 1479 -79 49 65 C +ATOM 1226 N ARG A 146 7.626 -2.279 18.330 1.00 12.39 N +ANISOU 1226 N ARG A 146 1341 2070 1296 340 -230 -112 N +ATOM 1227 CA ARG A 146 6.776 -3.220 19.025 1.00 11.68 C +ANISOU 1227 CA ARG A 146 1516 1332 1590 638 -129 -152 C +ATOM 1228 C ARG A 146 5.886 -2.559 20.054 1.00 10.43 C +ANISOU 1228 C ARG A 146 1310 1019 1633 346 -81 -113 C +ATOM 1229 O ARG A 146 4.663 -2.738 20.023 1.00 11.01 O +ANISOU 1229 O ARG A 146 1260 1289 1633 486 -355 -192 O +ATOM 1230 CB ARG A 146 7.715 -4.253 19.671 1.00 15.01 C +ANISOU 1230 CB ARG A 146 2018 1507 2177 987 -476 -292 C +ATOM 1231 CG ARG A 146 7.006 -5.429 20.249 1.00 22.49 C +ANISOU 1231 CG ARG A 146 3662 1660 3223 200 -1645 498 C +ATOM 1232 CD ARG A 146 7.997 -6.483 20.687 1.00 20.41 C +ANISOU 1232 CD ARG A 146 3045 1762 2948 303 -1202 218 C +ATOM 1233 NE ARG A 146 8.799 -7.046 19.592 1.00 20.10 N +ANISOU 1233 NE ARG A 146 3140 2291 2207 -102 -1222 417 N +ATOM 1234 CZ ARG A 146 10.088 -7.337 19.715 1.00 21.96 C +ANISOU 1234 CZ ARG A 146 3095 3552 1696 66 -1016 -14 C +ATOM 1235 NH1 ARG A 146 10.765 -7.132 20.853 1.00 24.08 N +ANISOU 1235 NH1 ARG A 146 2701 4832 1616 -1206 -769 264 N +ATOM 1236 NH2 ARG A 146 10.719 -7.848 18.676 1.00 21.67 N +ANISOU 1236 NH2 ARG A 146 3488 2857 1890 -976 -216 151 N +ATOM 1237 N GLU A 147 6.436 -1.797 21.004 1.00 10.34 N +ANISOU 1237 N GLU A 147 990 1564 1376 293 6 -157 N +ATOM 1238 CA AGLU A 147 5.489 -1.228 21.979 0.60 10.55 C +ANISOU 1238 CA AGLU A 147 1062 1311 1636 190 154 -208 C +ATOM 1239 CA BGLU A 147 5.607 -1.098 21.983 0.40 11.26 C +ANISOU 1239 CA BGLU A 147 1187 1680 1410 345 147 -161 C +ATOM 1240 C GLU A 147 4.573 -0.226 21.288 1.00 10.71 C +ANISOU 1240 C GLU A 147 1267 1366 1438 324 115 -361 C +ATOM 1241 O GLU A 147 3.403 -0.152 21.679 1.00 10.16 O +ANISOU 1241 O GLU A 147 1270 1405 1184 388 -1 -159 O +ATOM 1242 CB AGLU A 147 6.204 -0.663 23.199 0.60 16.69 C +ANISOU 1242 CB AGLU A 147 2139 2536 1665 880 -339 -703 C +ATOM 1243 CB BGLU A 147 6.473 -0.238 22.888 0.40 9.26 C +ANISOU 1243 CB BGLU A 147 886 1431 1199 385 414 -26 C +ATOM 1244 CG AGLU A 147 6.057 -1.600 24.404 0.60 30.41 C +ANISOU 1244 CG AGLU A 147 6594 2912 2046 156 -1388 -215 C +ATOM 1245 CG BGLU A 147 5.769 0.621 23.933 0.40 18.78 C +ANISOU 1245 CG BGLU A 147 1471 3347 2319 1383 -210 -1467 C +ATOM 1246 CD AGLU A 147 7.188 -1.586 25.393 0.60 34.42 C +ANISOU 1246 CD AGLU A 147 6937 3498 2643 645 -1877 254 C +ATOM 1247 CD BGLU A 147 6.828 1.401 24.707 0.40 27.37 C +ANISOU 1247 CD BGLU A 147 3087 3622 3691 1358 -1317 -2254 C +ATOM 1248 OE1AGLU A 147 8.025 -0.656 25.388 0.60 37.31 O +ANISOU 1248 OE1AGLU A 147 3758 6179 4239 371 226 -1121 O +ATOM 1249 OE1BGLU A 147 7.591 0.765 25.468 0.40 25.60 O +ANISOU 1249 OE1BGLU A 147 1378 4477 3870 793 -723 -1544 O +ATOM 1250 OE2AGLU A 147 7.264 -2.527 26.225 0.60 60.59 O +ANISOU 1250 OE2AGLU A 147 14405 5131 3485 1077 -3926 1313 O +ATOM 1251 OE2BGLU A 147 6.903 2.626 24.510 0.40 36.66 O +ANISOU 1251 OE2BGLU A 147 3545 3379 7005 1581 -2184 -2607 O +ATOM 1252 N THR A 148 4.992 0.481 20.251 1.00 9.57 N +ANISOU 1252 N THR A 148 848 1361 1426 173 -160 -370 N +ATOM 1253 CA THR A 148 4.118 1.390 19.534 1.00 10.65 C +ANISOU 1253 CA THR A 148 1173 1228 1645 200 -186 -374 C +ATOM 1254 C THR A 148 2.939 0.655 18.951 1.00 7.79 C +ANISOU 1254 C THR A 148 1014 908 1039 328 -110 -70 C +ATOM 1255 O THR A 148 1.809 1.094 19.107 1.00 7.49 O +ANISOU 1255 O THR A 148 1042 796 1007 275 74 -51 O +ATOM 1256 CB THR A 148 4.905 2.081 18.405 1.00 12.64 C +ANISOU 1256 CB THR A 148 1307 1229 2268 -34 -259 109 C +ATOM 1257 OG1 THR A 148 5.841 2.966 19.054 1.00 15.37 O +ANISOU 1257 OG1 THR A 148 1274 1793 2772 -194 -351 -76 O +ATOM 1258 CG2 THR A 148 3.982 2.879 17.498 1.00 14.40 C +ANISOU 1258 CG2 THR A 148 1862 1564 2047 316 -392 -44 C +ATOM 1259 N PHE A 149 3.158 -0.443 18.251 1.00 7.80 N +ANISOU 1259 N PHE A 149 890 753 1319 280 60 -37 N +ATOM 1260 CA PHE A 149 2.057 -1.129 17.594 1.00 7.31 C +ANISOU 1260 CA PHE A 149 946 837 995 245 49 5 C +ATOM 1261 C PHE A 149 1.209 -1.884 18.594 1.00 7.82 C +ANISOU 1261 C PHE A 149 1125 707 1137 158 41 21 C +ATOM 1262 O PHE A 149 -0.006 -2.029 18.389 1.00 7.05 O +ANISOU 1262 O PHE A 149 997 641 1041 272 72 30 O +ATOM 1263 CB PHE A 149 2.557 -2.014 16.457 1.00 7.47 C +ANISOU 1263 CB PHE A 149 955 637 1245 407 49 -18 C +ATOM 1264 CG PHE A 149 2.634 -1.197 15.162 1.00 7.68 C +ANISOU 1264 CG PHE A 149 982 912 1025 218 32 -131 C +ATOM 1265 CD1 PHE A 149 3.685 -0.326 14.968 1.00 8.98 C +ANISOU 1265 CD1 PHE A 149 973 1195 1242 137 -43 108 C +ATOM 1266 CD2 PHE A 149 1.687 -1.271 14.168 1.00 7.21 C +ANISOU 1266 CD2 PHE A 149 867 872 1002 246 134 -104 C +ATOM 1267 CE1 PHE A 149 3.799 0.466 13.846 1.00 8.33 C +ANISOU 1267 CE1 PHE A 149 1308 849 1008 60 152 -259 C +ATOM 1268 CE2 PHE A 149 1.780 -0.464 13.052 1.00 7.05 C +ANISOU 1268 CE2 PHE A 149 995 806 879 298 238 -186 C +ATOM 1269 CZ PHE A 149 2.836 0.403 12.876 1.00 8.41 C +ANISOU 1269 CZ PHE A 149 1294 806 1096 145 58 18 C +ATOM 1270 N GLN A 150 1.834 -2.324 19.706 1.00 7.51 N +ANISOU 1270 N GLN A 150 1080 733 1042 250 40 -54 N +ATOM 1271 CA GLN A 150 1.007 -2.928 20.758 1.00 7.89 C +ANISOU 1271 CA GLN A 150 1167 768 1064 194 67 -55 C +ATOM 1272 C GLN A 150 0.025 -1.897 21.326 1.00 7.44 C +ANISOU 1272 C GLN A 150 1136 918 771 144 16 -120 C +ATOM 1273 O GLN A 150 -1.130 -2.227 21.608 1.00 9.12 O +ANISOU 1273 O GLN A 150 1192 1065 1209 117 280 38 O +ATOM 1274 CB GLN A 150 1.835 -3.564 21.872 1.00 9.38 C +ANISOU 1274 CB GLN A 150 1561 874 1130 276 11 60 C +ATOM 1275 CG GLN A 150 2.542 -4.815 21.394 1.00 10.47 C +ANISOU 1275 CG GLN A 150 1854 772 1353 386 -2 269 C +ATOM 1276 CD GLN A 150 3.605 -5.330 22.347 1.00 16.33 C +ANISOU 1276 CD GLN A 150 2889 1170 2145 745 -736 562 C +ATOM 1277 OE1 GLN A 150 4.268 -4.606 23.093 1.00 21.65 O +ANISOU 1277 OE1 GLN A 150 3358 2070 2799 1750 -1473 -645 O +ATOM 1278 NE2 GLN A 150 3.750 -6.646 22.263 1.00 23.35 N +ANISOU 1278 NE2 GLN A 150 5243 1307 2322 1324 -1450 479 N +ATOM 1279 N ALA A 151 0.480 -0.643 21.484 1.00 7.48 N +ANISOU 1279 N ALA A 151 1089 835 917 286 100 -16 N +ATOM 1280 CA ALA A 151 -0.415 0.404 21.963 1.00 7.70 C +ANISOU 1280 CA ALA A 151 1220 895 810 377 152 33 C +ATOM 1281 C ALA A 151 -1.435 0.786 20.907 1.00 7.16 C +ANISOU 1281 C ALA A 151 1018 946 756 296 257 57 C +ATOM 1282 O ALA A 151 -2.572 1.083 21.260 1.00 6.91 O +ANISOU 1282 O ALA A 151 1011 779 835 185 321 49 O +ATOM 1283 CB ALA A 151 0.445 1.576 22.389 1.00 8.72 C +ANISOU 1283 CB ALA A 151 1245 975 1095 315 52 -107 C +ATOM 1284 N PHE A 152 -1.055 0.812 19.649 1.00 6.46 N +ANISOU 1284 N PHE A 152 996 689 768 221 290 63 N +ATOM 1285 CA PHE A 152 -1.995 1.137 18.585 1.00 5.78 C +ANISOU 1285 CA PHE A 152 893 549 755 228 235 -203 C +ATOM 1286 C PHE A 152 -3.169 0.188 18.602 1.00 6.05 C +ANISOU 1286 C PHE A 152 962 493 843 260 270 -12 C +ATOM 1287 O PHE A 152 -4.315 0.543 18.293 1.00 6.48 O +ANISOU 1287 O PHE A 152 876 787 799 98 229 48 O +ATOM 1288 CB PHE A 152 -1.308 1.094 17.222 1.00 5.72 C +ANISOU 1288 CB PHE A 152 844 578 750 288 158 -34 C +ATOM 1289 CG PHE A 152 -0.425 2.232 16.822 1.00 6.27 C +ANISOU 1289 CG PHE A 152 812 809 763 117 145 -33 C +ATOM 1290 CD1 PHE A 152 -0.334 3.382 17.557 1.00 6.23 C +ANISOU 1290 CD1 PHE A 152 749 780 839 109 301 53 C +ATOM 1291 CD2 PHE A 152 0.333 2.117 15.656 1.00 6.80 C +ANISOU 1291 CD2 PHE A 152 906 842 834 95 185 2 C +ATOM 1292 CE1 PHE A 152 0.471 4.440 17.169 1.00 7.56 C +ANISOU 1292 CE1 PHE A 152 848 784 1240 0 367 -183 C +ATOM 1293 CE2 PHE A 152 1.105 3.162 15.236 1.00 8.11 C +ANISOU 1293 CE2 PHE A 152 1180 873 1030 20 391 14 C +ATOM 1294 CZ PHE A 152 1.158 4.300 15.987 1.00 7.01 C +ANISOU 1294 CZ PHE A 152 892 780 991 -12 293 173 C +ATOM 1295 N ARG A 153 -2.907 -1.075 18.929 1.00 6.82 N +ANISOU 1295 N ARG A 153 943 621 1027 173 222 93 N +ATOM 1296 CA ARG A 153 -3.885 -2.160 18.868 1.00 6.72 C +ANISOU 1296 CA ARG A 153 1032 543 976 158 204 20 C +ATOM 1297 C ARG A 153 -4.687 -2.288 20.135 1.00 7.10 C +ANISOU 1297 C ARG A 153 1013 609 1073 167 264 -13 C +ATOM 1298 O ARG A 153 -4.972 -3.370 20.657 1.00 10.18 O +ANISOU 1298 O ARG A 153 1924 633 1311 258 750 124 O +ATOM 1299 CB ARG A 153 -3.197 -3.503 18.524 1.00 7.21 C +ANISOU 1299 CB ARG A 153 1201 649 890 259 240 43 C +ATOM 1300 CG ARG A 153 -2.608 -3.459 17.131 1.00 6.40 C +ANISOU 1300 CG ARG A 153 886 611 934 169 163 -17 C +ATOM 1301 CD ARG A 153 -1.738 -4.598 16.835 1.00 6.42 C +ANISOU 1301 CD ARG A 153 872 598 971 137 240 78 C +ATOM 1302 NE ARG A 153 -2.160 -5.949 17.007 1.00 5.90 N +ANISOU 1302 NE ARG A 153 810 562 870 182 18 72 N +ATOM 1303 CZ ARG A 153 -2.668 -6.753 16.077 1.00 6.26 C +ANISOU 1303 CZ ARG A 153 707 841 830 -110 145 67 C +ATOM 1304 NH1 ARG A 153 -2.918 -8.032 16.374 1.00 6.88 N +ANISOU 1304 NH1 ARG A 153 1039 651 924 53 505 -74 N +ATOM 1305 NH2 ARG A 153 -2.949 -6.311 14.867 1.00 6.52 N +ANISOU 1305 NH2 ARG A 153 855 967 655 233 318 -58 N +ATOM 1306 N THR A 154 -5.182 -1.157 20.621 1.00 7.85 N +ANISOU 1306 N THR A 154 1251 636 1095 123 432 -28 N +ATOM 1307 CA THR A 154 -6.056 -1.073 21.761 1.00 7.63 C +ANISOU 1307 CA THR A 154 1022 810 1069 172 386 -6 C +ATOM 1308 C THR A 154 -7.162 -0.051 21.487 1.00 7.46 C +ANISOU 1308 C THR A 154 987 777 1069 96 267 66 C +ATOM 1309 O THR A 154 -7.007 0.862 20.689 1.00 7.99 O +ANISOU 1309 O THR A 154 1266 870 900 106 408 54 O +ATOM 1310 CB THR A 154 -5.346 -0.676 23.075 1.00 7.72 C +ANISOU 1310 CB THR A 154 1130 747 1055 242 271 92 C +ATOM 1311 OG1 THR A 154 -4.758 0.618 22.907 1.00 7.56 O +ANISOU 1311 OG1 THR A 154 1301 621 950 278 299 35 O +ATOM 1312 CG2 THR A 154 -4.246 -1.665 23.438 1.00 8.57 C +ANISOU 1312 CG2 THR A 154 1277 793 1187 401 384 215 C +ATOM 1313 N ALA A 155 -8.256 -0.246 22.223 1.00 7.54 N +ANISOU 1313 N ALA A 155 952 916 998 165 335 58 N +ATOM 1314 CA ALA A 155 -9.476 0.540 22.003 1.00 8.12 C +ANISOU 1314 CA ALA A 155 1049 1087 949 208 363 -69 C +ATOM 1315 C ALA A 155 -9.389 1.850 22.730 1.00 7.98 C +ANISOU 1315 C ALA A 155 1152 942 938 239 391 34 C +ATOM 1316 O ALA A 155 -10.169 2.750 22.381 1.00 10.13 O +ANISOU 1316 O ALA A 155 1523 1246 1081 577 296 135 O +ATOM 1317 CB ALA A 155 -10.686 -0.242 22.481 1.00 10.94 C +ANISOU 1317 CB ALA A 155 922 1471 1762 -62 193 -196 C +ATOM 1318 N ASP A 156 -8.479 1.968 23.703 1.00 7.36 N +ANISOU 1318 N ASP A 156 867 830 1099 147 439 -22 N +ATOM 1319 CA ASP A 156 -8.332 3.215 24.442 1.00 7.55 C +ANISOU 1319 CA ASP A 156 1056 857 956 160 521 -44 C +ATOM 1320 C ASP A 156 -7.086 3.971 23.979 1.00 6.20 C +ANISOU 1320 C ASP A 156 1068 415 871 286 404 -108 C +ATOM 1321 O ASP A 156 -7.230 4.949 23.228 1.00 6.84 O +ANISOU 1321 O ASP A 156 1100 548 949 171 286 -8 O +ATOM 1322 CB ASP A 156 -8.366 2.993 25.962 1.00 9.39 C +ANISOU 1322 CB ASP A 156 1469 1103 997 -126 404 93 C +ATOM 1323 CG ASP A 156 -7.387 1.973 26.522 1.00 10.18 C +ANISOU 1323 CG ASP A 156 1515 1367 987 -118 395 246 C +ATOM 1324 OD1 ASP A 156 -6.767 1.195 25.781 1.00 9.83 O +ANISOU 1324 OD1 ASP A 156 1372 1271 1090 31 289 271 O +ATOM 1325 OD2 ASP A 156 -7.278 1.949 27.772 1.00 13.41 O +ANISOU 1325 OD2 ASP A 156 1737 2347 1010 16 196 133 O +ATOM 1326 N VAL A 157 -5.900 3.516 24.321 1.00 6.53 N +ANISOU 1326 N VAL A 157 1078 659 743 153 332 3 N +ATOM 1327 CA VAL A 157 -4.669 4.191 23.978 1.00 6.67 C +ANISOU 1327 CA VAL A 157 1071 608 857 85 234 -230 C +ATOM 1328 C VAL A 157 -4.493 4.292 22.477 1.00 6.22 C +ANISOU 1328 C VAL A 157 926 587 849 137 369 -113 C +ATOM 1329 O VAL A 157 -4.056 5.337 21.971 1.00 6.81 O +ANISOU 1329 O VAL A 157 875 644 1069 117 342 -68 O +ATOM 1330 CB VAL A 157 -3.482 3.515 24.676 1.00 7.43 C +ANISOU 1330 CB VAL A 157 1151 770 900 140 94 -241 C +ATOM 1331 CG1 VAL A 157 -2.183 4.113 24.185 1.00 8.92 C +ANISOU 1331 CG1 VAL A 157 1043 1334 1014 141 -74 123 C +ATOM 1332 CG2 VAL A 157 -3.631 3.665 26.173 1.00 10.27 C +ANISOU 1332 CG2 VAL A 157 1550 1452 899 155 134 -64 C +ATOM 1333 N GLY A 158 -4.873 3.244 21.740 1.00 5.57 N +ANISOU 1333 N GLY A 158 754 657 705 14 374 8 N +ATOM 1334 CA GLY A 158 -4.621 3.328 20.303 1.00 5.66 C +ANISOU 1334 CA GLY A 158 757 666 728 249 341 -26 C +ATOM 1335 C GLY A 158 -5.432 4.401 19.616 1.00 5.55 C +ANISOU 1335 C GLY A 158 745 550 813 115 351 77 C +ATOM 1336 O GLY A 158 -4.955 5.053 18.710 1.00 5.41 O +ANISOU 1336 O GLY A 158 833 563 661 126 430 -50 O +ATOM 1337 N ARG A 159 -6.676 4.547 20.081 1.00 5.39 N +ANISOU 1337 N ARG A 159 767 560 721 175 403 85 N +ATOM 1338 CA ARG A 159 -7.542 5.605 19.530 1.00 5.30 C +ANISOU 1338 CA ARG A 159 705 597 713 120 294 23 C +ATOM 1339 C ARG A 159 -7.060 6.964 19.941 1.00 5.21 C +ANISOU 1339 C ARG A 159 759 568 653 113 310 20 C +ATOM 1340 O ARG A 159 -7.041 7.892 19.139 1.00 5.79 O +ANISOU 1340 O ARG A 159 832 611 757 221 366 100 O +ATOM 1341 CB ARG A 159 -9.005 5.358 19.918 1.00 4.89 C +ANISOU 1341 CB ARG A 159 687 575 595 129 383 -21 C +ATOM 1342 CG ARG A 159 -9.575 4.088 19.325 1.00 5.50 C +ANISOU 1342 CG ARG A 159 799 646 644 68 345 -46 C +ATOM 1343 CD ARG A 159 -11.052 3.946 19.592 1.00 5.99 C +ANISOU 1343 CD ARG A 159 767 878 630 -48 273 19 C +ATOM 1344 NE ARG A 159 -11.893 4.896 18.867 1.00 6.52 N +ANISOU 1344 NE ARG A 159 869 854 753 179 225 -129 N +ATOM 1345 CZ ARG A 159 -12.227 4.781 17.575 1.00 5.49 C +ANISOU 1345 CZ ARG A 159 605 796 684 250 348 -117 C +ATOM 1346 NH1 ARG A 159 -11.740 3.799 16.820 1.00 5.85 N +ANISOU 1346 NH1 ARG A 159 740 502 981 48 579 -131 N +ATOM 1347 NH2 ARG A 159 -13.029 5.691 17.006 1.00 5.48 N +ANISOU 1347 NH2 ARG A 159 600 644 839 142 237 -114 N +ATOM 1348 N GLU A 160 -6.646 7.106 21.196 1.00 5.19 N +ANISOU 1348 N GLU A 160 727 646 599 87 401 -44 N +ATOM 1349 CA GLU A 160 -6.054 8.365 21.665 1.00 6.25 C +ANISOU 1349 CA GLU A 160 917 704 753 71 328 -69 C +ATOM 1350 C GLU A 160 -4.899 8.758 20.777 1.00 5.84 C +ANISOU 1350 C GLU A 160 834 567 817 42 273 44 C +ATOM 1351 O GLU A 160 -4.804 9.871 20.303 1.00 6.76 O +ANISOU 1351 O GLU A 160 1166 525 878 150 205 29 O +ATOM 1352 CB GLU A 160 -5.588 8.147 23.113 1.00 6.90 C +ANISOU 1352 CB GLU A 160 870 1044 708 88 288 -117 C +ATOM 1353 CG GLU A 160 -4.838 9.309 23.701 1.00 8.23 C +ANISOU 1353 CG GLU A 160 1123 1178 826 22 308 -226 C +ATOM 1354 CD GLU A 160 -4.233 9.052 25.058 1.00 8.77 C +ANISOU 1354 CD GLU A 160 1215 1353 763 12 294 -233 C +ATOM 1355 OE1 GLU A 160 -3.549 9.977 25.553 1.00 12.74 O +ANISOU 1355 OE1 GLU A 160 1636 2151 1054 -584 143 -271 O +ATOM 1356 OE2 GLU A 160 -4.401 7.952 25.643 1.00 13.47 O +ANISOU 1356 OE2 GLU A 160 1745 1986 1388 -314 176 507 O +ATOM 1357 N LEU A 161 -3.971 7.822 20.546 1.00 5.73 N +ANISOU 1357 N LEU A 161 926 577 676 79 309 69 N +ATOM 1358 CA LEU A 161 -2.758 8.179 19.828 1.00 5.85 C +ANISOU 1358 CA LEU A 161 883 640 700 -13 322 -85 C +ATOM 1359 C LEU A 161 -3.048 8.438 18.361 1.00 4.92 C +ANISOU 1359 C LEU A 161 545 607 719 -4 292 -77 C +ATOM 1360 O LEU A 161 -2.641 9.456 17.817 1.00 5.73 O +ANISOU 1360 O LEU A 161 881 593 703 -8 198 -47 O +ATOM 1361 CB LEU A 161 -1.712 7.071 19.980 1.00 7.08 C +ANISOU 1361 CB LEU A 161 925 960 805 191 402 118 C +ATOM 1362 CG LEU A 161 -1.167 6.795 21.384 1.00 8.75 C +ANISOU 1362 CG LEU A 161 1212 1056 1057 -110 60 262 C +ATOM 1363 CD1 LEU A 161 -0.267 5.555 21.357 1.00 12.11 C +ANISOU 1363 CD1 LEU A 161 1231 2221 1148 660 203 414 C +ATOM 1364 CD2 LEU A 161 -0.483 8.045 21.930 1.00 20.21 C +ANISOU 1364 CD2 LEU A 161 3656 2010 2015 -1188 -836 -10 C +ATOM 1365 N ILE A 162 -3.728 7.504 17.715 1.00 4.75 N +ANISOU 1365 N ILE A 162 703 495 605 104 296 -9 N +ATOM 1366 CA ILE A 162 -3.900 7.618 16.246 1.00 4.71 C +ANISOU 1366 CA ILE A 162 624 533 634 88 225 -65 C +ATOM 1367 C ILE A 162 -4.959 8.607 15.828 1.00 4.41 C +ANISOU 1367 C ILE A 162 680 369 627 48 302 -28 C +ATOM 1368 O ILE A 162 -4.759 9.393 14.892 1.00 5.19 O +ANISOU 1368 O ILE A 162 793 461 717 76 361 39 O +ATOM 1369 CB ILE A 162 -4.161 6.219 15.661 1.00 4.32 C +ANISOU 1369 CB ILE A 162 559 488 596 136 324 -53 C +ATOM 1370 CG1 ILE A 162 -2.950 5.313 15.806 1.00 5.07 C +ANISOU 1370 CG1 ILE A 162 508 613 806 135 261 -205 C +ATOM 1371 CG2 ILE A 162 -4.599 6.347 14.196 1.00 4.73 C +ANISOU 1371 CG2 ILE A 162 702 469 627 -10 284 -70 C +ATOM 1372 CD1 ILE A 162 -3.147 3.874 15.368 1.00 5.49 C +ANISOU 1372 CD1 ILE A 162 919 434 733 179 226 68 C +ATOM 1373 N ILE A 163 -6.105 8.593 16.517 1.00 4.76 N +ANISOU 1373 N ILE A 163 755 389 664 126 348 -25 N +ATOM 1374 CA ILE A 163 -7.211 9.437 16.107 1.00 4.86 C +ANISOU 1374 CA ILE A 163 682 553 613 120 254 4 C +ATOM 1375 C ILE A 163 -7.100 10.802 16.763 1.00 5.14 C +ANISOU 1375 C ILE A 163 807 461 685 160 311 31 C +ATOM 1376 O ILE A 163 -7.123 11.856 16.105 1.00 6.29 O +ANISOU 1376 O ILE A 163 1001 507 883 41 220 115 O +ATOM 1377 CB ILE A 163 -8.574 8.782 16.377 1.00 5.38 C +ANISOU 1377 CB ILE A 163 758 564 721 48 226 146 C +ATOM 1378 CG1 ILE A 163 -8.695 7.509 15.525 1.00 6.45 C +ANISOU 1378 CG1 ILE A 163 828 733 891 -43 235 -5 C +ATOM 1379 CG2 ILE A 163 -9.690 9.779 16.137 1.00 6.48 C +ANISOU 1379 CG2 ILE A 163 690 889 883 156 261 240 C +ATOM 1380 CD1 ILE A 163 -9.899 6.674 15.871 1.00 7.15 C +ANISOU 1380 CD1 ILE A 163 787 778 1154 -61 234 -149 C +ATOM 1381 N ASP A 164 -6.969 10.843 18.094 1.00 6.05 N +ANISOU 1381 N ASP A 164 1056 573 671 36 307 -17 N +ATOM 1382 CA ASP A 164 -6.960 12.134 18.765 1.00 6.32 C +ANISOU 1382 CA ASP A 164 938 642 822 139 76 -110 C +ATOM 1383 C ASP A 164 -5.657 12.900 18.578 1.00 6.86 C +ANISOU 1383 C ASP A 164 1052 592 963 92 119 -115 C +ATOM 1384 O ASP A 164 -5.722 14.139 18.512 1.00 7.98 O +ANISOU 1384 O ASP A 164 1183 653 1197 122 375 -27 O +ATOM 1385 CB ASP A 164 -7.283 11.954 20.241 1.00 6.69 C +ANISOU 1385 CB ASP A 164 1041 635 866 439 294 -191 C +ATOM 1386 CG ASP A 164 -8.657 11.344 20.496 1.00 7.39 C +ANISOU 1386 CG ASP A 164 1217 840 752 107 276 -348 C +ATOM 1387 OD1 ASP A 164 -9.625 11.600 19.756 1.00 8.06 O +ANISOU 1387 OD1 ASP A 164 1214 1017 831 -36 318 -107 O +ATOM 1388 OD2 ASP A 164 -8.737 10.675 21.560 1.00 9.52 O +ANISOU 1388 OD2 ASP A 164 1327 1111 1179 41 183 97 O +ATOM 1389 N GLN A 165 -4.523 12.240 18.467 1.00 6.66 N +ANISOU 1389 N GLN A 165 1081 569 880 113 424 -107 N +ATOM 1390 CA AGLN A 165 -3.226 12.866 18.356 0.60 6.74 C +ANISOU 1390 CA AGLN A 165 1132 529 900 59 368 -159 C +ATOM 1391 CA BGLN A 165 -3.240 12.913 18.345 0.40 6.80 C +ANISOU 1391 CA BGLN A 165 1129 535 922 66 388 -169 C +ATOM 1392 C GLN A 165 -2.532 12.723 16.997 1.00 6.20 C +ANISOU 1392 C GLN A 165 874 604 880 185 272 -132 C +ATOM 1393 O GLN A 165 -1.443 13.256 16.794 1.00 8.06 O +ANISOU 1393 O GLN A 165 919 996 1147 -27 380 -321 O +ATOM 1394 CB AGLN A 165 -2.239 12.286 19.375 0.60 6.50 C +ANISOU 1394 CB AGLN A 165 1070 553 849 191 413 -225 C +ATOM 1395 CB BGLN A 165 -2.295 12.452 19.457 0.40 8.46 C +ANISOU 1395 CB BGLN A 165 1215 1096 906 -13 270 -113 C +ATOM 1396 CG AGLN A 165 -2.652 12.481 20.808 0.60 8.36 C +ANISOU 1396 CG AGLN A 165 1507 855 814 -264 515 -153 C +ATOM 1397 CG BGLN A 165 -2.535 13.065 20.818 0.40 16.50 C +ANISOU 1397 CG BGLN A 165 1378 3544 1346 643 -180 -1234 C +ATOM 1398 CD AGLN A 165 -1.734 11.882 21.845 0.60 14.59 C +ANISOU 1398 CD AGLN A 165 1814 2821 909 -435 -600 -836 C +ATOM 1399 CD BGLN A 165 -2.450 14.567 20.920 0.40 19.17 C +ANISOU 1399 CD BGLN A 165 1702 3522 2060 1626 381 -2027 C +ATOM 1400 OE1AGLN A 165 -0.608 11.441 21.643 0.60 20.51 O +ANISOU 1400 OE1AGLN A 165 3132 3422 1241 1282 -304 -45 O +ATOM 1401 OE1BGLN A 165 -2.066 15.309 20.008 0.40 30.91 O +ANISOU 1401 OE1BGLN A 165 5373 3053 3316 990 483 -1359 O +ATOM 1402 NE2AGLN A 165 -2.220 11.863 23.066 0.60 17.59 N +ANISOU 1402 NE2AGLN A 165 2964 2648 1071 182 -204 -25 N +ATOM 1403 NE2BGLN A 165 -2.844 15.120 22.076 0.40 40.14 N +ANISOU 1403 NE2BGLN A 165 3914 6793 4545 -76 2584 -4620 N +ATOM 1404 N ASN A 166 -3.137 12.019 16.066 1.00 6.47 N +ANISOU 1404 N ASN A 166 1019 638 803 32 287 -61 N +ATOM 1405 CA ASN A 166 -2.601 11.819 14.721 1.00 5.65 C +ANISOU 1405 CA ASN A 166 805 606 737 142 276 35 C +ATOM 1406 C ASN A 166 -1.241 11.137 14.696 1.00 5.65 C +ANISOU 1406 C ASN A 166 822 703 622 94 127 -42 C +ATOM 1407 O ASN A 166 -0.416 11.430 13.807 1.00 5.65 O +ANISOU 1407 O ASN A 166 829 551 768 89 307 -82 O +ATOM 1408 CB ASN A 166 -2.546 13.110 13.903 1.00 6.01 C +ANISOU 1408 CB ASN A 166 955 477 850 147 389 -58 C +ATOM 1409 CG ASN A 166 -2.855 12.888 12.443 1.00 5.51 C +ANISOU 1409 CG ASN A 166 715 594 783 51 400 58 C +ATOM 1410 OD1 ASN A 166 -3.303 11.805 12.024 1.00 6.47 O +ANISOU 1410 OD1 ASN A 166 917 587 956 17 206 62 O +ATOM 1411 ND2 ASN A 166 -2.631 13.917 11.629 1.00 6.68 N +ANISOU 1411 ND2 ASN A 166 918 717 904 -53 364 149 N +ATOM 1412 N ALA A 167 -1.021 10.175 15.577 1.00 5.19 N +ANISOU 1412 N ALA A 167 654 540 779 -18 201 19 N +ATOM 1413 CA ALA A 167 0.303 9.582 15.688 1.00 5.67 C +ANISOU 1413 CA ALA A 167 579 751 823 -2 193 -11 C +ATOM 1414 C ALA A 167 0.709 8.792 14.481 1.00 5.09 C +ANISOU 1414 C ALA A 167 702 412 820 -40 184 115 C +ATOM 1415 O ALA A 167 1.931 8.635 14.268 1.00 6.85 O +ANISOU 1415 O ALA A 167 715 842 1044 81 183 -110 O +ATOM 1416 CB ALA A 167 0.335 8.638 16.895 1.00 7.21 C +ANISOU 1416 CB ALA A 167 970 973 795 154 -58 -2 C +ATOM 1417 N PHE A 168 -0.169 8.277 13.674 1.00 5.53 N +ANISOU 1417 N PHE A 168 660 741 702 -46 341 1 N +ATOM 1418 CA PHE A 168 0.259 7.487 12.513 1.00 5.01 C +ANISOU 1418 CA PHE A 168 563 519 822 57 321 -1 C +ATOM 1419 C PHE A 168 0.859 8.441 11.459 1.00 4.91 C +ANISOU 1419 C PHE A 168 756 480 630 134 324 -65 C +ATOM 1420 O PHE A 168 1.833 8.086 10.808 1.00 5.63 O +ANISOU 1420 O PHE A 168 623 692 825 110 366 -5 O +ATOM 1421 CB PHE A 168 -0.877 6.651 11.910 1.00 5.77 C +ANISOU 1421 CB PHE A 168 671 588 934 99 159 -66 C +ATOM 1422 CG PHE A 168 -0.403 5.260 11.561 1.00 5.19 C +ANISOU 1422 CG PHE A 168 594 590 787 66 195 -87 C +ATOM 1423 CD1 PHE A 168 0.540 5.029 10.579 1.00 6.26 C +ANISOU 1423 CD1 PHE A 168 746 517 1116 30 428 -30 C +ATOM 1424 CD2 PHE A 168 -0.895 4.144 12.216 1.00 5.64 C +ANISOU 1424 CD2 PHE A 168 716 647 781 136 344 19 C +ATOM 1425 CE1 PHE A 168 0.964 3.781 10.270 1.00 6.11 C +ANISOU 1425 CE1 PHE A 168 791 576 956 77 483 -55 C +ATOM 1426 CE2 PHE A 168 -0.439 2.886 11.935 1.00 6.67 C +ANISOU 1426 CE2 PHE A 168 1158 592 784 -50 398 59 C +ATOM 1427 CZ PHE A 168 0.510 2.704 10.979 1.00 6.20 C +ANISOU 1427 CZ PHE A 168 785 537 1034 182 310 29 C +ATOM 1428 N ILE A 169 0.310 9.616 11.255 1.00 5.49 N +ANISOU 1428 N ILE A 169 741 568 776 148 351 65 N +ATOM 1429 CA ILE A 169 0.782 10.609 10.310 1.00 5.55 C +ANISOU 1429 CA ILE A 169 1003 434 672 25 434 -128 C +ATOM 1430 C ILE A 169 2.001 11.323 10.855 1.00 6.15 C +ANISOU 1430 C ILE A 169 736 790 812 48 314 -30 C +ATOM 1431 O ILE A 169 2.983 11.477 10.136 1.00 6.37 O +ANISOU 1431 O ILE A 169 824 655 942 149 341 0 O +ATOM 1432 CB ILE A 169 -0.352 11.605 9.969 1.00 5.74 C +ANISOU 1432 CB ILE A 169 859 461 860 15 231 14 C +ATOM 1433 CG1 ILE A 169 -1.511 10.999 9.164 1.00 8.57 C +ANISOU 1433 CG1 ILE A 169 1282 901 1074 -594 85 169 C +ATOM 1434 CG2 ILE A 169 0.197 12.818 9.230 1.00 5.73 C +ANISOU 1434 CG2 ILE A 169 800 587 789 -122 117 33 C +ATOM 1435 CD1 ILE A 169 -1.166 10.661 7.719 1.00 9.48 C +ANISOU 1435 CD1 ILE A 169 1441 1081 1082 357 -234 -29 C +ATOM 1436 N GLU A 170 1.934 11.813 12.087 1.00 5.50 N +ANISOU 1436 N GLU A 170 754 642 693 59 198 72 N +ATOM 1437 CA GLU A 170 2.991 12.669 12.609 1.00 6.21 C +ANISOU 1437 CA GLU A 170 860 680 820 93 269 -88 C +ATOM 1438 C GLU A 170 4.146 11.882 13.168 1.00 6.07 C +ANISOU 1438 C GLU A 170 698 823 787 -1 255 -43 C +ATOM 1439 O GLU A 170 5.239 12.415 13.339 1.00 8.57 O +ANISOU 1439 O GLU A 170 829 1064 1362 -160 175 -175 O +ATOM 1440 CB GLU A 170 2.450 13.628 13.692 1.00 6.14 C +ANISOU 1440 CB GLU A 170 941 761 631 93 268 -35 C +ATOM 1441 CG GLU A 170 1.392 14.576 13.209 1.00 6.55 C +ANISOU 1441 CG GLU A 170 1054 553 880 117 169 -146 C +ATOM 1442 CD GLU A 170 1.871 15.636 12.267 1.00 7.12 C +ANISOU 1442 CD GLU A 170 1042 738 926 1 143 -2 C +ATOM 1443 OE1 GLU A 170 3.073 15.800 12.011 1.00 8.46 O +ANISOU 1443 OE1 GLU A 170 1158 867 1190 -116 150 87 O +ATOM 1444 OE2 GLU A 170 1.012 16.382 11.727 1.00 9.18 O +ANISOU 1444 OE2 GLU A 170 1237 1088 1165 -18 126 275 O +ATOM 1445 N GLY A 171 3.940 10.602 13.472 1.00 6.61 N +ANISOU 1445 N GLY A 171 732 770 1009 74 114 -22 N +ATOM 1446 CA GLY A 171 4.924 9.767 14.120 1.00 6.21 C +ANISOU 1446 CA GLY A 171 719 797 845 -72 -39 -119 C +ATOM 1447 C GLY A 171 5.373 8.608 13.280 1.00 6.67 C +ANISOU 1447 C GLY A 171 780 741 1013 92 184 40 C +ATOM 1448 O GLY A 171 6.495 8.575 12.805 1.00 8.18 O +ANISOU 1448 O GLY A 171 744 1295 1070 22 260 20 O +ATOM 1449 N ALA A 172 4.504 7.622 13.075 1.00 6.36 N +ANISOU 1449 N ALA A 172 703 694 1021 166 91 -109 N +ATOM 1450 CA ALA A 172 4.943 6.388 12.424 1.00 6.14 C +ANISOU 1450 CA ALA A 172 754 616 964 250 153 70 C +ATOM 1451 C ALA A 172 5.396 6.602 10.997 1.00 6.04 C +ANISOU 1451 C ALA A 172 628 742 926 226 55 -90 C +ATOM 1452 O ALA A 172 6.391 6.027 10.575 1.00 7.06 O +ANISOU 1452 O ALA A 172 878 775 1029 356 231 -151 O +ATOM 1453 CB ALA A 172 3.824 5.381 12.498 1.00 6.80 C +ANISOU 1453 CB ALA A 172 673 701 1208 186 219 -253 C +ATOM 1454 N LEU A 173 4.703 7.457 10.242 1.00 5.72 N +ANISOU 1454 N LEU A 173 758 526 888 176 241 -16 N +ATOM 1455 CA LEU A 173 5.067 7.687 8.844 1.00 5.90 C +ANISOU 1455 CA LEU A 173 732 645 865 -12 162 -55 C +ATOM 1456 C LEU A 173 6.474 8.245 8.739 1.00 5.67 C +ANISOU 1456 C LEU A 173 646 575 932 134 247 -65 C +ATOM 1457 O LEU A 173 7.364 7.611 8.130 1.00 6.42 O +ANISOU 1457 O LEU A 173 784 702 953 105 248 -205 O +ATOM 1458 CB LEU A 173 3.981 8.548 8.193 1.00 6.34 C +ANISOU 1458 CB LEU A 173 687 846 875 35 171 46 C +ATOM 1459 CG LEU A 173 4.332 9.198 6.869 1.00 6.13 C +ANISOU 1459 CG LEU A 173 776 706 847 136 295 -56 C +ATOM 1460 CD1 LEU A 173 4.587 8.127 5.797 1.00 8.39 C +ANISOU 1460 CD1 LEU A 173 1390 834 962 214 332 -141 C +ATOM 1461 CD2 LEU A 173 3.251 10.119 6.400 1.00 7.73 C +ANISOU 1461 CD2 LEU A 173 1210 809 919 316 318 171 C +ATOM 1462 N PRO A 174 6.796 9.408 9.303 1.00 6.34 N +ANISOU 1462 N PRO A 174 676 710 1023 60 218 -226 N +ATOM 1463 CA PRO A 174 8.181 9.895 9.139 1.00 7.85 C +ANISOU 1463 CA PRO A 174 689 937 1356 19 249 -520 C +ATOM 1464 C PRO A 174 9.194 9.014 9.827 1.00 7.39 C +ANISOU 1464 C PRO A 174 604 866 1340 -46 339 -452 C +ATOM 1465 O PRO A 174 10.338 8.966 9.379 1.00 8.48 O +ANISOU 1465 O PRO A 174 662 1288 1271 81 397 -296 O +ATOM 1466 CB PRO A 174 8.137 11.299 9.754 1.00 9.46 C +ANISOU 1466 CB PRO A 174 815 889 1891 -6 458 -615 C +ATOM 1467 CG PRO A 174 6.926 11.360 10.605 1.00 8.03 C +ANISOU 1467 CG PRO A 174 687 720 1645 28 344 -477 C +ATOM 1468 CD PRO A 174 5.975 10.411 9.959 1.00 6.51 C +ANISOU 1468 CD PRO A 174 790 813 871 69 304 -250 C +ATOM 1469 N LYS A 175 8.840 8.328 10.919 1.00 7.76 N +ANISOU 1469 N LYS A 175 659 1044 1243 -143 353 -442 N +ATOM 1470 CA LYS A 175 9.825 7.468 11.581 1.00 7.92 C +ANISOU 1470 CA LYS A 175 749 1092 1166 -238 280 -397 C +ATOM 1471 C LYS A 175 10.224 6.289 10.712 1.00 7.95 C +ANISOU 1471 C LYS A 175 830 1324 865 217 51 -378 C +ATOM 1472 O LYS A 175 11.231 5.602 10.904 1.00 12.21 O +ANISOU 1472 O LYS A 175 1109 2436 1094 819 -283 -576 O +ATOM 1473 CB LYS A 175 9.298 7.025 12.942 1.00 10.69 C +ANISOU 1473 CB LYS A 175 924 2010 1126 396 525 -262 C +ATOM 1474 CG LYS A 175 9.619 8.100 13.983 1.00 22.72 C +ANISOU 1474 CG LYS A 175 4489 2784 1359 652 342 -906 C +ATOM 1475 CD LYS A 175 8.930 7.890 15.320 1.00 42.82 C +ANISOU 1475 CD LYS A 175 7653 7268 1349 -673 1243 -1646 C +ATOM 1476 CE LYS A 175 8.967 9.143 16.194 1.00 48.64 C +ANISOU 1476 CE LYS A 175 9327 8230 924 1740 -281 -2228 C +ATOM 1477 NZ LYS A 175 7.686 9.292 16.962 1.00 74.51 N +ANISOU 1477 NZ LYS A 175 9969 15931 2409 3999 120 -4194 N +ATOM 1478 N CYS A 176 9.387 5.977 9.712 1.00 6.28 N +ANISOU 1478 N CYS A 176 685 755 947 266 -4 -190 N +ATOM 1479 CA CYS A 176 9.658 4.845 8.845 1.00 6.02 C +ANISOU 1479 CA CYS A 176 684 739 863 370 -32 -163 C +ATOM 1480 C CYS A 176 10.071 5.221 7.429 1.00 5.55 C +ANISOU 1480 C CYS A 176 415 815 879 219 -100 -206 C +ATOM 1481 O CYS A 176 9.941 4.430 6.475 1.00 5.81 O +ANISOU 1481 O CYS A 176 620 779 809 114 108 -135 O +ATOM 1482 CB CYS A 176 8.473 3.887 8.837 1.00 7.87 C +ANISOU 1482 CB CYS A 176 1266 768 956 3 97 -180 C +ATOM 1483 SG CYS A 176 8.209 3.039 10.405 1.00 11.64 S +ANISOU 1483 SG CYS A 176 1888 1245 1289 -18 224 155 S +ATOM 1484 N VAL A 177 10.630 6.422 7.316 1.00 6.06 N +ANISOU 1484 N VAL A 177 513 970 819 72 202 -372 N +ATOM 1485 CA VAL A 177 11.383 6.922 6.164 1.00 6.11 C +ANISOU 1485 CA VAL A 177 577 997 746 110 198 -359 C +ATOM 1486 C VAL A 177 12.769 7.270 6.660 1.00 5.83 C +ANISOU 1486 C VAL A 177 613 895 706 2 227 -72 C +ATOM 1487 O VAL A 177 12.862 7.919 7.696 1.00 7.69 O +ANISOU 1487 O VAL A 177 748 1223 952 -5 123 -418 O +ATOM 1488 CB VAL A 177 10.693 8.141 5.518 1.00 6.82 C +ANISOU 1488 CB VAL A 177 611 1040 940 -41 63 -243 C +ATOM 1489 CG1 VAL A 177 11.477 8.601 4.300 1.00 8.10 C +ANISOU 1489 CG1 VAL A 177 841 1209 1029 -248 112 -126 C +ATOM 1490 CG2 VAL A 177 9.249 7.849 5.146 1.00 7.48 C +ANISOU 1490 CG2 VAL A 177 563 1120 1158 17 90 -295 C +ATOM 1491 N VAL A 178 13.819 6.851 6.004 1.00 5.97 N +ANISOU 1491 N VAL A 178 476 864 927 6 57 -224 N +ATOM 1492 CA VAL A 178 15.176 7.148 6.479 1.00 6.51 C +ANISOU 1492 CA VAL A 178 494 1114 865 -206 127 -303 C +ATOM 1493 C VAL A 178 15.483 8.610 6.299 1.00 6.73 C +ANISOU 1493 C VAL A 178 359 1156 1044 -109 289 -197 C +ATOM 1494 O VAL A 178 15.915 9.294 7.237 1.00 8.00 O +ANISOU 1494 O VAL A 178 663 1000 1378 -35 -16 -328 O +ATOM 1495 CB VAL A 178 16.206 6.251 5.793 1.00 7.00 C +ANISOU 1495 CB VAL A 178 522 1095 1043 -74 149 -186 C +ATOM 1496 CG1 VAL A 178 17.633 6.638 6.184 1.00 8.03 C +ANISOU 1496 CG1 VAL A 178 477 1013 1562 -66 88 -122 C +ATOM 1497 CG2 VAL A 178 15.983 4.798 6.141 1.00 8.02 C +ANISOU 1497 CG2 VAL A 178 792 1077 1179 -269 364 -294 C +ATOM 1498 N ARG A 179 15.256 9.136 5.099 1.00 7.19 N +ANISOU 1498 N ARG A 179 552 1022 1159 39 194 -185 N +ATOM 1499 CA ARG A 179 15.481 10.562 4.885 1.00 8.10 C +ANISOU 1499 CA ARG A 179 845 1010 1221 -89 117 -240 C +ATOM 1500 C ARG A 179 14.366 11.350 5.551 1.00 8.55 C +ANISOU 1500 C ARG A 179 755 977 1517 83 33 -143 C +ATOM 1501 O ARG A 179 13.267 10.852 5.778 1.00 9.20 O +ANISOU 1501 O ARG A 179 767 1108 1619 112 -11 -6 O +ATOM 1502 CB ARG A 179 15.552 10.888 3.384 1.00 9.87 C +ANISOU 1502 CB ARG A 179 1369 1147 1235 -183 -64 -32 C +ATOM 1503 CG ARG A 179 14.219 10.726 2.722 1.00 12.41 C +ANISOU 1503 CG ARG A 179 1617 1688 1410 -341 -302 -178 C +ATOM 1504 CD ARG A 179 13.936 11.769 1.739 1.00 15.66 C +ANISOU 1504 CD ARG A 179 1684 967 3298 334 -1111 -154 C +ATOM 1505 NE ARG A 179 12.697 11.519 1.017 1.00 11.72 N +ANISOU 1505 NE ARG A 179 1362 748 2342 172 -509 -333 N +ATOM 1506 CZ ARG A 179 11.747 12.436 0.915 1.00 7.63 C +ANISOU 1506 CZ ARG A 179 803 675 1421 -51 201 -109 C +ATOM 1507 NH1 ARG A 179 11.855 13.616 1.483 1.00 7.94 N +ANISOU 1507 NH1 ARG A 179 1099 679 1237 -103 262 -124 N +ATOM 1508 NH2 ARG A 179 10.671 12.129 0.223 1.00 7.40 N +ANISOU 1508 NH2 ARG A 179 606 1024 1183 -182 412 -197 N +ATOM 1509 N PRO A 180 14.641 12.587 5.907 1.00 9.15 N +ANISOU 1509 N PRO A 180 670 1062 1745 156 52 -231 N +ATOM 1510 CA PRO A 180 13.576 13.393 6.503 1.00 8.86 C +ANISOU 1510 CA PRO A 180 917 1120 1329 199 -11 -273 C +ATOM 1511 C PRO A 180 12.548 13.812 5.459 1.00 8.34 C +ANISOU 1511 C PRO A 180 896 946 1326 328 -1 -390 C +ATOM 1512 O PRO A 180 12.906 14.317 4.379 1.00 11.45 O +ANISOU 1512 O PRO A 180 1103 1587 1661 -217 -317 193 O +ATOM 1513 CB PRO A 180 14.271 14.659 6.987 1.00 12.17 C +ANISOU 1513 CB PRO A 180 1316 1196 2112 171 -487 -449 C +ATOM 1514 CG PRO A 180 15.673 14.509 6.599 1.00 18.56 C +ANISOU 1514 CG PRO A 180 1445 1825 3784 -505 192 -1074 C +ATOM 1515 CD PRO A 180 15.932 13.274 5.828 1.00 12.37 C +ANISOU 1515 CD PRO A 180 731 1461 2508 -105 -217 -343 C +ATOM 1516 N LEU A 181 11.292 13.623 5.776 1.00 10.26 N +ANISOU 1516 N LEU A 181 929 1627 1345 328 57 -401 N +ATOM 1517 CA LEU A 181 10.184 14.144 4.976 1.00 8.95 C +ANISOU 1517 CA LEU A 181 819 1178 1405 136 97 -287 C +ATOM 1518 C LEU A 181 10.117 15.656 5.137 1.00 9.73 C +ANISOU 1518 C LEU A 181 1076 1187 1433 -48 131 -246 C +ATOM 1519 O LEU A 181 10.312 16.163 6.255 1.00 11.33 O +ANISOU 1519 O LEU A 181 1671 1181 1452 377 -170 -312 O +ATOM 1520 CB LEU A 181 8.827 13.495 5.342 1.00 8.31 C +ANISOU 1520 CB LEU A 181 947 1079 1132 96 158 -208 C +ATOM 1521 CG LEU A 181 8.702 12.005 5.003 1.00 7.66 C +ANISOU 1521 CG LEU A 181 959 923 1030 228 261 -15 C +ATOM 1522 CD1 LEU A 181 7.365 11.468 5.497 1.00 9.51 C +ANISOU 1522 CD1 LEU A 181 943 1230 1439 30 199 -6 C +ATOM 1523 CD2 LEU A 181 8.881 11.766 3.497 1.00 9.63 C +ANISOU 1523 CD2 LEU A 181 1322 1154 1183 -93 266 -286 C +ATOM 1524 N THR A 182 9.859 16.352 4.061 1.00 8.40 N +ANISOU 1524 N THR A 182 745 1098 1349 335 75 -465 N +ATOM 1525 CA THR A 182 9.744 17.799 4.162 1.00 8.50 C +ANISOU 1525 CA THR A 182 664 1007 1559 4 101 -497 C +ATOM 1526 C THR A 182 8.348 18.177 4.667 1.00 7.36 C +ANISOU 1526 C THR A 182 699 675 1424 108 41 -251 C +ATOM 1527 O THR A 182 7.404 17.380 4.621 1.00 7.00 O +ANISOU 1527 O THR A 182 744 582 1333 23 113 -188 O +ATOM 1528 CB THR A 182 10.014 18.527 2.833 1.00 10.07 C +ANISOU 1528 CB THR A 182 1117 984 1726 -23 350 -442 C +ATOM 1529 OG1 THR A 182 8.901 18.336 1.943 1.00 10.43 O +ANISOU 1529 OG1 THR A 182 1152 1239 1573 -126 337 -87 O +ATOM 1530 CG2 THR A 182 11.264 17.974 2.153 1.00 12.77 C +ANISOU 1530 CG2 THR A 182 1187 1543 2123 69 649 -174 C +ATOM 1531 N GLU A 183 8.207 19.411 5.079 1.00 8.45 N +ANISOU 1531 N GLU A 183 852 649 1711 -61 282 -298 N +ATOM 1532 CA AGLU A 183 6.898 19.848 5.547 0.60 9.34 C +ANISOU 1532 CA AGLU A 183 1018 1141 1389 218 196 -622 C +ATOM 1533 CA BGLU A 183 6.939 19.962 5.503 0.40 8.67 C +ANISOU 1533 CA BGLU A 183 942 873 1479 141 215 -309 C +ATOM 1534 C GLU A 183 5.913 19.920 4.385 1.00 7.42 C +ANISOU 1534 C GLU A 183 1015 447 1358 62 236 -54 C +ATOM 1535 O GLU A 183 4.725 19.669 4.632 1.00 7.88 O +ANISOU 1535 O GLU A 183 979 608 1406 -25 227 -36 O +ATOM 1536 CB AGLU A 183 6.931 21.165 6.328 0.60 10.05 C +ANISOU 1536 CB AGLU A 183 1209 992 1619 -169 545 -606 C +ATOM 1537 CB BGLU A 183 7.220 21.378 5.995 0.40 12.00 C +ANISOU 1537 CB BGLU A 183 1511 1078 1970 331 -47 -801 C +ATOM 1538 CG AGLU A 183 7.520 21.030 7.729 0.60 10.46 C +ANISOU 1538 CG AGLU A 183 446 1556 1971 42 163 -1107 C +ATOM 1539 CG BGLU A 183 6.321 21.954 7.003 0.40 21.22 C +ANISOU 1539 CG BGLU A 183 3216 2306 2540 -437 1234 -1636 C +ATOM 1540 CD AGLU A 183 6.923 19.961 8.600 0.60 13.14 C +ANISOU 1540 CD AGLU A 183 1110 2556 1326 269 152 -474 C +ATOM 1541 CD BGLU A 183 5.643 21.417 8.209 0.40 23.95 C +ANISOU 1541 CD BGLU A 183 3675 2720 2707 -754 1214 -1286 C +ATOM 1542 OE1AGLU A 183 5.704 19.960 8.888 0.60 18.09 O +ANISOU 1542 OE1AGLU A 183 1185 3122 2567 -805 449 -890 O +ATOM 1543 OE1BGLU A 183 5.948 20.298 8.668 0.40 18.95 O +ANISOU 1543 OE1BGLU A 183 2458 2545 2195 -498 1468 -1791 O +ATOM 1544 OE2AGLU A 183 7.629 19.035 9.071 0.60 23.42 O +ANISOU 1544 OE2AGLU A 183 3212 3573 2116 1177 -144 302 O +ATOM 1545 OE2BGLU A 183 4.777 22.174 8.767 0.40 13.42 O +ANISOU 1545 OE2BGLU A 183 708 2862 1528 -534 -48 549 O +ATOM 1546 N VAL A 184 6.330 20.191 3.160 1.00 8.06 N +ANISOU 1546 N VAL A 184 1114 519 1430 -137 328 -225 N +ATOM 1547 CA VAL A 184 5.375 20.149 2.040 1.00 7.50 C +ANISOU 1547 CA VAL A 184 1039 572 1239 -60 411 -146 C +ATOM 1548 C VAL A 184 4.861 18.725 1.862 1.00 6.42 C +ANISOU 1548 C VAL A 184 911 574 955 56 240 -81 C +ATOM 1549 O VAL A 184 3.679 18.479 1.669 1.00 6.39 O +ANISOU 1549 O VAL A 184 850 493 1087 90 295 -71 O +ATOM 1550 CB VAL A 184 6.050 20.690 0.774 1.00 8.99 C +ANISOU 1550 CB VAL A 184 1242 671 1505 82 554 91 C +ATOM 1551 CG1 VAL A 184 5.299 20.344 -0.499 1.00 12.44 C +ANISOU 1551 CG1 VAL A 184 2115 1338 1275 -183 523 257 C +ATOM 1552 CG2 VAL A 184 6.202 22.202 0.868 1.00 12.95 C +ANISOU 1552 CG2 VAL A 184 2367 716 1837 -107 730 229 C +ATOM 1553 N GLU A 185 5.772 17.742 1.918 1.00 6.68 N +ANISOU 1553 N GLU A 185 647 513 1381 -119 277 -229 N +ATOM 1554 CA GLU A 185 5.361 16.355 1.835 1.00 5.74 C +ANISOU 1554 CA GLU A 185 685 507 989 0 177 -135 C +ATOM 1555 C GLU A 185 4.439 15.969 2.992 1.00 5.96 C +ANISOU 1555 C GLU A 185 563 618 1083 4 256 -177 C +ATOM 1556 O GLU A 185 3.402 15.338 2.784 1.00 6.25 O +ANISOU 1556 O GLU A 185 751 579 1045 -62 102 -22 O +ATOM 1557 CB GLU A 185 6.588 15.421 1.813 1.00 5.69 C +ANISOU 1557 CB GLU A 185 605 514 1042 -2 256 -158 C +ATOM 1558 CG GLU A 185 7.432 15.601 0.575 1.00 7.60 C +ANISOU 1558 CG GLU A 185 755 1017 1117 -36 334 -200 C +ATOM 1559 CD GLU A 185 8.775 14.925 0.600 1.00 6.29 C +ANISOU 1559 CD GLU A 185 905 604 880 42 405 30 C +ATOM 1560 OE1 GLU A 185 9.412 14.922 1.664 1.00 8.37 O +ANISOU 1560 OE1 GLU A 185 999 1159 1021 103 241 -190 O +ATOM 1561 OE2 GLU A 185 9.199 14.440 -0.482 1.00 7.19 O +ANISOU 1561 OE2 GLU A 185 751 932 1047 -106 375 -262 O +ATOM 1562 N MET A 186 4.818 16.371 4.197 1.00 6.08 N +ANISOU 1562 N MET A 186 600 621 1089 -40 262 -177 N +ATOM 1563 CA MET A 186 3.955 16.098 5.346 1.00 6.29 C +ANISOU 1563 CA MET A 186 677 656 1056 153 288 -139 C +ATOM 1564 C MET A 186 2.563 16.711 5.160 1.00 5.70 C +ANISOU 1564 C MET A 186 640 527 998 48 241 -96 C +ATOM 1565 O MET A 186 1.547 16.086 5.501 1.00 6.21 O +ANISOU 1565 O MET A 186 703 655 1002 0 334 49 O +ATOM 1566 CB MET A 186 4.570 16.594 6.634 1.00 6.73 C +ANISOU 1566 CB MET A 186 611 827 1119 -3 198 -51 C +ATOM 1567 CG MET A 186 5.769 15.760 7.092 1.00 7.90 C +ANISOU 1567 CG MET A 186 942 1024 1036 195 185 229 C +ATOM 1568 SD MET A 186 5.386 14.059 7.496 1.00 8.43 S +ANISOU 1568 SD MET A 186 1027 967 1208 254 231 34 S +ATOM 1569 CE MET A 186 4.288 14.314 8.876 1.00 9.41 C +ANISOU 1569 CE MET A 186 1352 548 1676 135 680 69 C +ATOM 1570 N ASP A 187 2.487 17.936 4.644 1.00 5.69 N +ANISOU 1570 N ASP A 187 666 570 928 53 264 31 N +ATOM 1571 CA ASP A 187 1.158 18.524 4.420 1.00 5.23 C +ANISOU 1571 CA ASP A 187 583 555 849 2 313 -52 C +ATOM 1572 C ASP A 187 0.360 17.742 3.392 1.00 5.28 C +ANISOU 1572 C ASP A 187 770 504 733 58 166 75 C +ATOM 1573 O ASP A 187 -0.872 17.593 3.532 1.00 6.09 O +ANISOU 1573 O ASP A 187 665 566 1083 166 112 -82 O +ATOM 1574 CB ASP A 187 1.311 19.982 3.996 1.00 5.56 C +ANISOU 1574 CB ASP A 187 526 563 1025 63 163 37 C +ATOM 1575 CG ASP A 187 1.584 20.924 5.157 1.00 6.31 C +ANISOU 1575 CG ASP A 187 818 550 1032 51 55 35 C +ATOM 1576 OD1 ASP A 187 1.381 20.580 6.332 1.00 7.63 O +ANISOU 1576 OD1 ASP A 187 1204 678 1017 30 79 23 O +ATOM 1577 OD2 ASP A 187 2.005 22.067 4.871 1.00 7.88 O +ANISOU 1577 OD2 ASP A 187 1086 615 1292 -101 199 -34 O +ATOM 1578 N HIS A 188 0.965 17.175 2.359 1.00 5.58 N +ANISOU 1578 N HIS A 188 844 505 770 42 217 8 N +ATOM 1579 CA HIS A 188 0.195 16.306 1.454 1.00 5.56 C +ANISOU 1579 CA HIS A 188 741 416 955 88 305 -47 C +ATOM 1580 C HIS A 188 -0.353 15.087 2.172 1.00 4.79 C +ANISOU 1580 C HIS A 188 563 383 874 164 197 -135 C +ATOM 1581 O HIS A 188 -1.463 14.655 1.927 1.00 7.29 O +ANISOU 1581 O HIS A 188 722 903 1145 -147 30 293 O +ATOM 1582 CB HIS A 188 1.087 15.883 0.272 1.00 5.72 C +ANISOU 1582 CB HIS A 188 882 524 768 -34 204 -116 C +ATOM 1583 CG HIS A 188 1.211 16.923 -0.794 1.00 6.28 C +ANISOU 1583 CG HIS A 188 974 457 954 -6 230 -51 C +ATOM 1584 ND1 HIS A 188 0.245 17.047 -1.786 1.00 7.64 N +ANISOU 1584 ND1 HIS A 188 1030 778 1093 34 183 249 N +ATOM 1585 CD2 HIS A 188 2.171 17.818 -1.129 1.00 6.34 C +ANISOU 1585 CD2 HIS A 188 1036 413 960 85 372 -19 C +ATOM 1586 CE1 HIS A 188 0.581 17.999 -2.634 1.00 8.68 C +ANISOU 1586 CE1 HIS A 188 1296 824 1176 -87 170 278 C +ATOM 1587 NE2 HIS A 188 1.776 18.503 -2.255 1.00 7.33 N +ANISOU 1587 NE2 HIS A 188 1121 772 891 56 355 66 N +ATOM 1588 N TYR A 189 0.437 14.483 3.058 1.00 4.68 N +ANISOU 1588 N TYR A 189 553 370 857 126 277 -96 N +ATOM 1589 CA TYR A 189 -0.037 13.332 3.816 1.00 5.04 C +ANISOU 1589 CA TYR A 189 630 469 815 37 303 -48 C +ATOM 1590 C TYR A 189 -1.046 13.716 4.885 1.00 4.61 C +ANISOU 1590 C TYR A 189 583 498 669 -7 162 -112 C +ATOM 1591 O TYR A 189 -1.949 12.922 5.183 1.00 4.93 O +ANISOU 1591 O TYR A 189 558 533 782 -55 215 -109 O +ATOM 1592 CB TYR A 189 1.160 12.606 4.412 1.00 4.99 C +ANISOU 1592 CB TYR A 189 702 435 760 52 220 -16 C +ATOM 1593 CG TYR A 189 1.887 11.742 3.418 1.00 4.69 C +ANISOU 1593 CG TYR A 189 639 464 681 144 117 4 C +ATOM 1594 CD1 TYR A 189 1.270 10.735 2.730 1.00 5.61 C +ANISOU 1594 CD1 TYR A 189 549 714 870 23 228 -202 C +ATOM 1595 CD2 TYR A 189 3.256 11.932 3.192 1.00 5.16 C +ANISOU 1595 CD2 TYR A 189 608 375 977 98 124 -128 C +ATOM 1596 CE1 TYR A 189 1.943 9.929 1.826 1.00 5.79 C +ANISOU 1596 CE1 TYR A 189 699 568 934 -13 213 -215 C +ATOM 1597 CE2 TYR A 189 3.934 11.125 2.287 1.00 4.75 C +ANISOU 1597 CE2 TYR A 189 679 422 704 28 263 58 C +ATOM 1598 CZ TYR A 189 3.289 10.126 1.612 1.00 5.33 C +ANISOU 1598 CZ TYR A 189 730 385 910 148 335 -77 C +ATOM 1599 OH TYR A 189 3.940 9.321 0.701 1.00 6.08 O +ANISOU 1599 OH TYR A 189 766 532 1012 168 224 -188 O +ATOM 1600 N ARG A 190 -0.954 14.893 5.476 1.00 4.86 N +ANISOU 1600 N ARG A 190 568 391 889 -37 300 -48 N +ATOM 1601 CA ARG A 190 -1.891 15.358 6.466 1.00 4.95 C +ANISOU 1601 CA ARG A 190 548 537 797 -25 306 -65 C +ATOM 1602 C ARG A 190 -3.266 15.696 5.883 1.00 4.70 C +ANISOU 1602 C ARG A 190 622 486 677 -79 277 -71 C +ATOM 1603 O ARG A 190 -4.280 15.621 6.609 1.00 4.82 O +ANISOU 1603 O ARG A 190 613 488 733 89 330 -2 O +ATOM 1604 CB ARG A 190 -1.355 16.619 7.148 1.00 5.66 C +ANISOU 1604 CB ARG A 190 548 572 1032 90 170 -175 C +ATOM 1605 CG ARG A 190 -0.203 16.409 8.104 1.00 4.98 C +ANISOU 1605 CG ARG A 190 527 574 791 52 284 -160 C +ATOM 1606 CD ARG A 190 0.552 17.701 8.311 1.00 6.03 C +ANISOU 1606 CD ARG A 190 623 761 906 -82 141 -63 C +ATOM 1607 NE ARG A 190 1.678 17.538 9.218 1.00 7.05 N +ANISOU 1607 NE ARG A 190 793 747 1139 -49 -67 -94 N +ATOM 1608 CZ ARG A 190 2.796 18.248 9.197 1.00 6.58 C +ANISOU 1608 CZ ARG A 190 631 836 1034 -5 126 -36 C +ATOM 1609 NH1 ARG A 190 3.010 19.186 8.315 1.00 7.85 N +ANISOU 1609 NH1 ARG A 190 1224 753 1008 37 340 -75 N +ATOM 1610 NH2 ARG A 190 3.724 17.960 10.132 1.00 8.58 N +ANISOU 1610 NH2 ARG A 190 811 1079 1369 -14 -188 -91 N +ATOM 1611 N GLU A 191 -3.323 16.146 4.635 1.00 5.30 N +ANISOU 1611 N GLU A 191 633 722 658 30 363 -76 N +ATOM 1612 CA GLU A 191 -4.516 16.773 4.127 1.00 5.38 C +ANISOU 1612 CA GLU A 191 697 518 830 63 294 -36 C +ATOM 1613 C GLU A 191 -5.760 15.939 4.281 1.00 5.12 C +ANISOU 1613 C GLU A 191 650 541 755 104 195 -84 C +ATOM 1614 O GLU A 191 -6.776 16.533 4.704 1.00 5.73 O +ANISOU 1614 O GLU A 191 660 703 815 179 280 67 O +ATOM 1615 CB GLU A 191 -4.316 17.161 2.676 1.00 6.79 C +ANISOU 1615 CB GLU A 191 779 840 961 -139 176 172 C +ATOM 1616 CG GLU A 191 -5.451 18.024 2.131 1.00 13.00 C +ANISOU 1616 CG GLU A 191 1531 1703 1706 241 -489 426 C +ATOM 1617 CD GLU A 191 -5.005 18.443 0.733 1.00 16.66 C +ANISOU 1617 CD GLU A 191 2739 2072 1520 304 -680 633 C +ATOM 1618 OE1 GLU A 191 -4.777 19.635 0.584 1.00 31.72 O +ANISOU 1618 OE1 GLU A 191 7330 1957 2766 594 735 1111 O +ATOM 1619 OE2 GLU A 191 -4.785 17.637 -0.179 1.00 26.34 O +ANISOU 1619 OE2 GLU A 191 5470 2847 1693 -168 -141 129 O +ATOM 1620 N PRO A 192 -5.803 14.646 3.990 1.00 4.99 N +ANISOU 1620 N PRO A 192 612 506 777 102 12 -26 N +ATOM 1621 CA PRO A 192 -7.046 13.892 4.161 1.00 5.37 C +ANISOU 1621 CA PRO A 192 746 445 850 62 2 45 C +ATOM 1622 C PRO A 192 -7.535 13.833 5.581 1.00 5.41 C +ANISOU 1622 C PRO A 192 722 456 876 54 90 -47 C +ATOM 1623 O PRO A 192 -8.717 13.480 5.804 1.00 6.78 O +ANISOU 1623 O PRO A 192 658 844 1074 55 145 -104 O +ATOM 1624 CB PRO A 192 -6.702 12.471 3.635 1.00 6.30 C +ANISOU 1624 CB PRO A 192 791 566 1038 32 25 -248 C +ATOM 1625 CG PRO A 192 -5.503 12.710 2.751 1.00 6.37 C +ANISOU 1625 CG PRO A 192 1000 456 965 63 113 -109 C +ATOM 1626 CD PRO A 192 -4.731 13.807 3.443 1.00 5.94 C +ANISOU 1626 CD PRO A 192 701 694 860 120 98 -179 C +ATOM 1627 N PHE A 193 -6.674 14.056 6.555 1.00 4.74 N +ANISOU 1627 N PHE A 193 612 458 732 23 273 -17 N +ATOM 1628 CA PHE A 193 -6.919 13.711 7.952 1.00 4.89 C +ANISOU 1628 CA PHE A 193 523 601 734 53 283 -27 C +ATOM 1629 C PHE A 193 -6.879 14.943 8.867 1.00 5.20 C +ANISOU 1629 C PHE A 193 769 535 673 122 326 39 C +ATOM 1630 O PHE A 193 -6.757 14.812 10.066 1.00 6.52 O +ANISOU 1630 O PHE A 193 1013 838 628 59 289 40 O +ATOM 1631 CB PHE A 193 -5.905 12.654 8.422 1.00 5.58 C +ANISOU 1631 CB PHE A 193 924 478 718 146 262 -27 C +ATOM 1632 CG PHE A 193 -6.023 11.421 7.552 1.00 4.54 C +ANISOU 1632 CG PHE A 193 721 487 517 118 234 105 C +ATOM 1633 CD1 PHE A 193 -7.183 10.678 7.501 1.00 5.62 C +ANISOU 1633 CD1 PHE A 193 903 373 859 76 328 12 C +ATOM 1634 CD2 PHE A 193 -4.962 11.042 6.766 1.00 5.59 C +ANISOU 1634 CD2 PHE A 193 854 458 810 202 300 -24 C +ATOM 1635 CE1 PHE A 193 -7.290 9.588 6.679 1.00 6.29 C +ANISOU 1635 CE1 PHE A 193 1059 426 903 23 256 -41 C +ATOM 1636 CE2 PHE A 193 -5.066 9.930 5.958 1.00 6.73 C +ANISOU 1636 CE2 PHE A 193 1139 520 897 174 413 -103 C +ATOM 1637 CZ PHE A 193 -6.228 9.214 5.876 1.00 6.54 C +ANISOU 1637 CZ PHE A 193 1117 533 836 194 156 -119 C +ATOM 1638 N LEU A 194 -7.048 16.135 8.309 1.00 5.91 N +ANISOU 1638 N LEU A 194 929 514 801 -10 335 119 N +ATOM 1639 CA LEU A 194 -7.070 17.378 9.093 1.00 6.85 C +ANISOU 1639 CA LEU A 194 1101 569 933 24 347 31 C +ATOM 1640 C LEU A 194 -8.112 17.366 10.198 1.00 7.21 C +ANISOU 1640 C LEU A 194 1252 396 1091 48 461 5 C +ATOM 1641 O LEU A 194 -7.913 17.958 11.272 1.00 8.70 O +ANISOU 1641 O LEU A 194 1483 753 1069 -58 561 -93 O +ATOM 1642 CB LEU A 194 -7.290 18.568 8.167 1.00 7.09 C +ANISOU 1642 CB LEU A 194 1208 467 1017 92 493 -21 C +ATOM 1643 CG LEU A 194 -6.185 18.853 7.168 1.00 7.69 C +ANISOU 1643 CG LEU A 194 1157 967 797 128 389 122 C +ATOM 1644 CD1 LEU A 194 -6.555 20.019 6.245 1.00 8.32 C +ANISOU 1644 CD1 LEU A 194 1237 780 1142 -74 359 217 C +ATOM 1645 CD2 LEU A 194 -4.900 19.160 7.887 1.00 10.08 C +ANISOU 1645 CD2 LEU A 194 1277 1231 1321 -118 211 328 C +ATOM 1646 N LYS A 195 -9.220 16.689 9.950 1.00 7.46 N +ANISOU 1646 N LYS A 195 1176 542 1117 93 621 -99 N +ATOM 1647 CA LYS A 195 -10.230 16.553 10.994 1.00 7.87 C +ANISOU 1647 CA LYS A 195 1419 719 850 -26 657 -19 C +ATOM 1648 C LYS A 195 -10.052 15.211 11.724 1.00 7.28 C +ANISOU 1648 C LYS A 195 1081 638 1046 -38 372 -65 C +ATOM 1649 O LYS A 195 -10.105 14.169 11.089 1.00 6.93 O +ANISOU 1649 O LYS A 195 1042 718 873 -67 453 -30 O +ATOM 1650 CB LYS A 195 -11.615 16.583 10.367 1.00 10.17 C +ANISOU 1650 CB LYS A 195 1329 1354 1180 363 619 240 C +ATOM 1651 CG LYS A 195 -11.982 17.884 9.724 1.00 15.21 C +ANISOU 1651 CG LYS A 195 2108 1277 2393 669 434 336 C +ATOM 1652 CD ALYS A 195 -13.393 18.071 9.193 0.40 26.84 C +ANISOU 1652 CD ALYS A 195 3485 3212 3500 1667 -1401 -129 C +ATOM 1653 CD BLYS A 195 -11.778 19.127 10.597 0.60 23.39 C +ANISOU 1653 CD BLYS A 195 3022 1716 4149 1993 -566 -769 C +ATOM 1654 CE ALYS A 195 -13.582 19.537 8.801 0.40 29.74 C +ANISOU 1654 CE ALYS A 195 3901 3339 4060 1907 -1631 35 C +ATOM 1655 CE BLYS A 195 -12.506 19.258 11.907 0.60 29.85 C +ANISOU 1655 CE BLYS A 195 3225 3018 5100 1400 146 -2355 C +ATOM 1656 NZ ALYS A 195 -14.640 20.268 9.546 0.40 30.16 N +ANISOU 1656 NZ ALYS A 195 7015 897 3549 341 1307 119 N +ATOM 1657 NZ BLYS A 195 -13.956 19.628 11.827 0.60 19.52 N +ANISOU 1657 NZ BLYS A 195 3090 2463 1865 789 -424 218 N +ATOM 1658 N PRO A 196 -9.798 15.245 13.035 1.00 6.48 N +ANISOU 1658 N PRO A 196 935 556 973 130 602 -69 N +ATOM 1659 CA PRO A 196 -9.514 13.992 13.756 1.00 6.30 C +ANISOU 1659 CA PRO A 196 713 572 1108 135 460 -93 C +ATOM 1660 C PRO A 196 -10.509 12.862 13.523 1.00 5.96 C +ANISOU 1660 C PRO A 196 714 493 1060 190 420 -66 C +ATOM 1661 O PRO A 196 -10.076 11.695 13.362 1.00 5.75 O +ANISOU 1661 O PRO A 196 719 513 952 202 383 -127 O +ATOM 1662 CB PRO A 196 -9.484 14.486 15.196 1.00 6.98 C +ANISOU 1662 CB PRO A 196 854 729 1068 184 248 -98 C +ATOM 1663 CG PRO A 196 -8.950 15.896 15.107 1.00 8.18 C +ANISOU 1663 CG PRO A 196 1077 887 1144 -30 644 -371 C +ATOM 1664 CD PRO A 196 -9.647 16.440 13.878 1.00 8.51 C +ANISOU 1664 CD PRO A 196 1617 560 1057 -70 733 -150 C +ATOM 1665 N VAL A 197 -11.789 13.132 13.485 1.00 5.92 N +ANISOU 1665 N VAL A 197 733 531 984 259 367 38 N +ATOM 1666 CA VAL A 197 -12.734 12.004 13.334 1.00 7.00 C +ANISOU 1666 CA VAL A 197 855 832 971 53 255 35 C +ATOM 1667 C VAL A 197 -12.533 11.211 12.070 1.00 6.99 C +ANISOU 1667 C VAL A 197 819 920 915 -176 248 63 C +ATOM 1668 O VAL A 197 -12.935 10.056 11.969 1.00 7.58 O +ANISOU 1668 O VAL A 197 881 886 1113 -156 176 -31 O +ATOM 1669 CB VAL A 197 -14.170 12.557 13.432 1.00 8.50 C +ANISOU 1669 CB VAL A 197 760 976 1492 127 127 112 C +ATOM 1670 CG1 VAL A 197 -14.532 13.365 12.213 1.00 9.83 C +ANISOU 1670 CG1 VAL A 197 766 1613 1357 154 257 273 C +ATOM 1671 CG2 VAL A 197 -15.196 11.467 13.702 1.00 9.15 C +ANISOU 1671 CG2 VAL A 197 956 856 1665 86 393 -148 C +ATOM 1672 N ASP A 198 -11.959 11.817 11.020 1.00 6.29 N +ANISOU 1672 N ASP A 198 623 796 971 139 315 50 N +ATOM 1673 CA ASP A 198 -11.760 11.174 9.745 1.00 6.31 C +ANISOU 1673 CA ASP A 198 593 888 917 124 283 59 C +ATOM 1674 C ASP A 198 -10.596 10.187 9.797 1.00 5.38 C +ANISOU 1674 C ASP A 198 499 808 736 19 169 22 C +ATOM 1675 O ASP A 198 -10.280 9.552 8.755 1.00 6.14 O +ANISOU 1675 O ASP A 198 827 754 750 67 130 -71 O +ATOM 1676 CB ASP A 198 -11.497 12.252 8.672 1.00 7.43 C +ANISOU 1676 CB ASP A 198 837 1023 964 158 145 214 C +ATOM 1677 CG ASP A 198 -12.724 13.107 8.384 1.00 8.85 C +ANISOU 1677 CG ASP A 198 881 793 1687 108 -18 64 C +ATOM 1678 OD1 ASP A 198 -13.850 12.665 8.696 1.00 10.34 O +ANISOU 1678 OD1 ASP A 198 812 1585 1531 141 110 320 O +ATOM 1679 OD2 ASP A 198 -12.519 14.202 7.836 1.00 9.89 O +ANISOU 1679 OD2 ASP A 198 1082 1038 1638 250 171 300 O +ATOM 1680 N ARG A 199 -9.977 9.997 10.948 1.00 4.87 N +ANISOU 1680 N ARG A 199 659 567 625 191 260 -155 N +ATOM 1681 CA ARG A 199 -8.808 9.116 11.073 1.00 4.62 C +ANISOU 1681 CA ARG A 199 593 511 652 81 256 59 C +ATOM 1682 C ARG A 199 -9.139 7.675 11.393 1.00 5.06 C +ANISOU 1682 C ARG A 199 737 534 650 -17 126 146 C +ATOM 1683 O ARG A 199 -8.234 6.863 11.632 1.00 5.09 O +ANISOU 1683 O ARG A 199 664 521 747 92 -42 -24 O +ATOM 1684 CB ARG A 199 -7.835 9.712 12.101 1.00 5.07 C +ANISOU 1684 CB ARG A 199 614 534 778 16 162 131 C +ATOM 1685 CG ARG A 199 -7.282 11.034 11.698 1.00 5.11 C +ANISOU 1685 CG ARG A 199 679 529 733 12 163 138 C +ATOM 1686 CD ARG A 199 -6.616 11.807 12.795 1.00 5.43 C +ANISOU 1686 CD ARG A 199 737 518 811 43 338 -18 C +ATOM 1687 NE ARG A 199 -6.346 13.216 12.404 1.00 5.33 N +ANISOU 1687 NE ARG A 199 693 580 753 -24 321 5 N +ATOM 1688 CZ ARG A 199 -6.002 14.157 13.245 1.00 5.61 C +ANISOU 1688 CZ ARG A 199 696 600 834 -70 298 -110 C +ATOM 1689 NH1 ARG A 199 -5.902 13.899 14.536 1.00 6.75 N +ANISOU 1689 NH1 ARG A 199 901 827 834 136 190 -120 N +ATOM 1690 NH2 ARG A 199 -5.755 15.386 12.792 1.00 6.66 N +ANISOU 1690 NH2 ARG A 199 767 742 1022 -277 404 -42 N +ATOM 1691 N GLU A 200 -10.413 7.285 11.370 1.00 5.31 N +ANISOU 1691 N GLU A 200 596 530 893 140 278 -18 N +ATOM 1692 CA GLU A 200 -10.783 5.925 11.651 1.00 4.43 C +ANISOU 1692 CA GLU A 200 574 521 588 -10 119 -63 C +ATOM 1693 C GLU A 200 -10.001 4.882 10.864 1.00 4.55 C +ANISOU 1693 C GLU A 200 512 526 690 16 158 -68 C +ATOM 1694 O GLU A 200 -9.549 3.886 11.483 1.00 5.20 O +ANISOU 1694 O GLU A 200 731 439 803 -46 229 40 O +ATOM 1695 CB GLU A 200 -12.304 5.678 11.384 1.00 5.12 C +ANISOU 1695 CB GLU A 200 525 624 798 128 88 -55 C +ATOM 1696 CG GLU A 200 -12.777 4.405 12.085 1.00 6.05 C +ANISOU 1696 CG GLU A 200 687 815 798 -93 280 -124 C +ATOM 1697 CD GLU A 200 -12.852 4.497 13.586 1.00 5.57 C +ANISOU 1697 CD GLU A 200 500 844 772 328 275 -103 C +ATOM 1698 OE1 GLU A 200 -12.987 5.623 14.127 1.00 6.12 O +ANISOU 1698 OE1 GLU A 200 774 775 778 47 377 -92 O +ATOM 1699 OE2 GLU A 200 -12.784 3.405 14.228 1.00 6.52 O +ANISOU 1699 OE2 GLU A 200 880 751 847 186 130 -171 O +ATOM 1700 N PRO A 201 -9.800 5.009 9.537 1.00 4.43 N +ANISOU 1700 N PRO A 201 367 582 735 59 210 -6 N +ATOM 1701 CA PRO A 201 -9.060 3.952 8.852 1.00 5.10 C +ANISOU 1701 CA PRO A 201 610 553 775 32 247 -145 C +ATOM 1702 C PRO A 201 -7.634 3.807 9.386 1.00 4.67 C +ANISOU 1702 C PRO A 201 560 372 841 103 355 -173 C +ATOM 1703 O PRO A 201 -7.099 2.681 9.314 1.00 5.37 O +ANISOU 1703 O PRO A 201 693 387 959 88 365 -77 O +ATOM 1704 CB PRO A 201 -9.050 4.379 7.411 1.00 6.83 C +ANISOU 1704 CB PRO A 201 1032 776 786 93 206 -131 C +ATOM 1705 CG PRO A 201 -9.679 5.684 7.285 1.00 11.56 C +ANISOU 1705 CG PRO A 201 2848 735 808 489 542 4 C +ATOM 1706 CD PRO A 201 -10.254 6.038 8.600 1.00 5.60 C +ANISOU 1706 CD PRO A 201 485 887 755 207 124 30 C +ATOM 1707 N LEU A 202 -7.056 4.880 9.863 1.00 4.42 N +ANISOU 1707 N LEU A 202 551 399 727 179 122 -91 N +ATOM 1708 CA LEU A 202 -5.667 4.840 10.314 1.00 4.22 C +ANISOU 1708 CA LEU A 202 640 484 477 136 179 -80 C +ATOM 1709 C LEU A 202 -5.506 4.023 11.584 1.00 4.63 C +ANISOU 1709 C LEU A 202 535 622 600 106 197 39 C +ATOM 1710 O LEU A 202 -4.406 3.509 11.830 1.00 4.72 O +ANISOU 1710 O LEU A 202 596 542 658 71 219 113 O +ATOM 1711 CB LEU A 202 -5.180 6.251 10.549 1.00 4.44 C +ANISOU 1711 CB LEU A 202 378 533 775 123 240 -43 C +ATOM 1712 CG LEU A 202 -5.395 7.258 9.426 1.00 4.56 C +ANISOU 1712 CG LEU A 202 496 444 794 121 311 -13 C +ATOM 1713 CD1 LEU A 202 -4.629 8.546 9.714 1.00 6.45 C +ANISOU 1713 CD1 LEU A 202 744 582 1124 9 101 73 C +ATOM 1714 CD2 LEU A 202 -5.001 6.707 8.066 1.00 5.54 C +ANISOU 1714 CD2 LEU A 202 591 751 764 188 355 61 C +ATOM 1715 N TRP A 203 -6.538 3.920 12.409 1.00 4.35 N +ANISOU 1715 N TRP A 203 623 405 627 242 307 -40 N +ATOM 1716 CA TRP A 203 -6.586 3.111 13.601 1.00 4.65 C +ANISOU 1716 CA TRP A 203 659 559 548 81 166 -62 C +ATOM 1717 C TRP A 203 -7.029 1.685 13.300 1.00 4.55 C +ANISOU 1717 C TRP A 203 619 458 651 167 253 -33 C +ATOM 1718 O TRP A 203 -6.500 0.726 13.840 1.00 4.76 O +ANISOU 1718 O TRP A 203 757 531 519 173 276 38 O +ATOM 1719 CB TRP A 203 -7.470 3.791 14.667 1.00 4.65 C +ANISOU 1719 CB TRP A 203 734 507 526 74 204 -67 C +ATOM 1720 CG TRP A 203 -7.690 2.892 15.870 1.00 4.51 C +ANISOU 1720 CG TRP A 203 707 439 569 123 244 -76 C +ATOM 1721 CD1 TRP A 203 -6.919 2.747 16.956 1.00 4.78 C +ANISOU 1721 CD1 TRP A 203 689 458 670 211 231 18 C +ATOM 1722 CD2 TRP A 203 -8.778 2.000 16.073 1.00 4.86 C +ANISOU 1722 CD2 TRP A 203 776 545 527 61 380 -154 C +ATOM 1723 NE1 TRP A 203 -7.420 1.836 17.843 1.00 5.54 N +ANISOU 1723 NE1 TRP A 203 874 536 693 121 255 66 N +ATOM 1724 CE2 TRP A 203 -8.565 1.369 17.308 1.00 4.88 C +ANISOU 1724 CE2 TRP A 203 802 445 607 140 367 -77 C +ATOM 1725 CE3 TRP A 203 -9.912 1.669 15.340 1.00 6.30 C +ANISOU 1725 CE3 TRP A 203 758 845 791 -21 275 -77 C +ATOM 1726 CZ2 TRP A 203 -9.453 0.437 17.791 1.00 6.41 C +ANISOU 1726 CZ2 TRP A 203 1193 473 770 -60 359 -48 C +ATOM 1727 CZ3 TRP A 203 -10.805 0.739 15.823 1.00 6.18 C +ANISOU 1727 CZ3 TRP A 203 763 585 999 57 323 -212 C +ATOM 1728 CH2 TRP A 203 -10.562 0.133 17.062 1.00 6.94 C +ANISOU 1728 CH2 TRP A 203 1165 617 856 -189 485 -249 C +ATOM 1729 N ARG A 204 -8.036 1.522 12.446 1.00 4.43 N +ANISOU 1729 N ARG A 204 633 308 744 212 206 -131 N +ATOM 1730 CA ARG A 204 -8.489 0.155 12.207 1.00 4.45 C +ANISOU 1730 CA ARG A 204 692 392 608 84 318 -54 C +ATOM 1731 C ARG A 204 -7.390 -0.670 11.520 1.00 4.27 C +ANISOU 1731 C ARG A 204 757 307 557 54 304 -128 C +ATOM 1732 O ARG A 204 -7.211 -1.844 11.824 1.00 5.34 O +ANISOU 1732 O ARG A 204 759 352 919 122 211 22 O +ATOM 1733 CB ARG A 204 -9.799 0.119 11.442 1.00 6.34 C +ANISOU 1733 CB ARG A 204 694 573 1141 26 177 -54 C +ATOM 1734 CG ARG A 204 -10.361 -1.248 11.152 1.00 5.74 C +ANISOU 1734 CG ARG A 204 553 590 1037 125 245 -150 C +ATOM 1735 CD ARG A 204 -10.490 -2.164 12.380 1.00 6.56 C +ANISOU 1735 CD ARG A 204 938 522 1034 41 522 -200 C +ATOM 1736 NE ARG A 204 -11.559 -1.712 13.264 1.00 7.95 N +ANISOU 1736 NE ARG A 204 895 783 1343 184 620 -156 N +ATOM 1737 CZ ARG A 204 -11.929 -2.350 14.386 1.00 8.60 C +ANISOU 1737 CZ ARG A 204 978 989 1300 -93 671 -242 C +ATOM 1738 NH1 ARG A 204 -11.293 -3.450 14.792 1.00 10.38 N +ANISOU 1738 NH1 ARG A 204 1623 1057 1264 -117 331 -26 N +ATOM 1739 NH2 ARG A 204 -12.941 -1.846 15.091 1.00 12.75 N +ANISOU 1739 NH2 ARG A 204 1341 1723 1781 -199 1074 -631 N +ATOM 1740 N PHE A 205 -6.626 -0.062 10.612 1.00 4.54 N +ANISOU 1740 N PHE A 205 601 449 676 157 316 37 N +ATOM 1741 CA PHE A 205 -5.604 -0.813 9.887 1.00 4.88 C +ANISOU 1741 CA PHE A 205 625 471 758 144 278 -93 C +ATOM 1742 C PHE A 205 -4.600 -1.490 10.804 1.00 4.55 C +ANISOU 1742 C PHE A 205 502 446 781 45 270 -92 C +ATOM 1743 O PHE A 205 -4.414 -2.702 10.639 1.00 5.43 O +ANISOU 1743 O PHE A 205 744 461 857 165 215 -109 O +ATOM 1744 CB PHE A 205 -4.874 0.088 8.880 1.00 4.32 C +ANISOU 1744 CB PHE A 205 421 447 774 160 282 -146 C +ATOM 1745 CG PHE A 205 -5.442 0.101 7.466 1.00 5.29 C +ANISOU 1745 CG PHE A 205 540 713 756 161 294 -2 C +ATOM 1746 CD1 PHE A 205 -5.867 -1.019 6.838 1.00 5.92 C +ANISOU 1746 CD1 PHE A 205 745 786 719 192 205 -102 C +ATOM 1747 CD2 PHE A 205 -5.508 1.313 6.762 1.00 5.48 C +ANISOU 1747 CD2 PHE A 205 453 766 862 129 235 22 C +ATOM 1748 CE1 PHE A 205 -6.324 -1.061 5.552 1.00 6.65 C +ANISOU 1748 CE1 PHE A 205 551 1075 902 216 36 -120 C +ATOM 1749 CE2 PHE A 205 -5.933 1.300 5.440 1.00 6.05 C +ANISOU 1749 CE2 PHE A 205 362 1119 817 48 284 234 C +ATOM 1750 CZ PHE A 205 -6.312 0.138 4.828 1.00 7.39 C +ANISOU 1750 CZ PHE A 205 644 1381 784 -146 90 126 C +ATOM 1751 N PRO A 206 -3.962 -0.813 11.736 1.00 4.27 N +ANISOU 1751 N PRO A 206 490 484 647 250 365 -172 N +ATOM 1752 CA PRO A 206 -3.031 -1.588 12.587 1.00 4.85 C +ANISOU 1752 CA PRO A 206 516 568 758 235 228 -95 C +ATOM 1753 C PRO A 206 -3.720 -2.655 13.415 1.00 5.60 C +ANISOU 1753 C PRO A 206 782 589 758 114 170 -120 C +ATOM 1754 O PRO A 206 -3.082 -3.674 13.769 1.00 6.28 O +ANISOU 1754 O PRO A 206 975 682 728 210 353 87 O +ATOM 1755 CB PRO A 206 -2.355 -0.496 13.434 1.00 5.69 C +ANISOU 1755 CB PRO A 206 711 581 872 101 184 -43 C +ATOM 1756 CG PRO A 206 -3.250 0.688 13.410 1.00 5.48 C +ANISOU 1756 CG PRO A 206 702 599 780 113 265 -184 C +ATOM 1757 CD PRO A 206 -3.840 0.614 12.024 1.00 5.40 C +ANISOU 1757 CD PRO A 206 774 466 813 243 242 -199 C +ATOM 1758 N ASN A 207 -4.965 -2.448 13.758 1.00 5.84 N +ANISOU 1758 N ASN A 207 806 547 867 85 265 37 N +ATOM 1759 CA ASN A 207 -5.749 -3.432 14.481 1.00 5.76 C +ANISOU 1759 CA ASN A 207 940 496 752 152 286 70 C +ATOM 1760 C ASN A 207 -6.089 -4.644 13.640 1.00 5.32 C +ANISOU 1760 C ASN A 207 715 576 731 51 170 58 C +ATOM 1761 O ASN A 207 -6.390 -5.683 14.202 1.00 7.59 O +ANISOU 1761 O ASN A 207 1441 637 806 -120 407 125 O +ATOM 1762 CB ASN A 207 -7.016 -2.771 15.050 1.00 5.99 C +ANISOU 1762 CB ASN A 207 763 758 756 165 180 58 C +ATOM 1763 CG ASN A 207 -6.657 -2.039 16.333 1.00 6.26 C +ANISOU 1763 CG ASN A 207 887 717 775 270 193 5 C +ATOM 1764 OD1 ASN A 207 -6.653 -2.675 17.421 1.00 8.08 O +ANISOU 1764 OD1 ASN A 207 1455 956 661 55 322 81 O +ATOM 1765 ND2 ASN A 207 -6.329 -0.757 16.222 1.00 6.68 N +ANISOU 1765 ND2 ASN A 207 1027 661 850 247 384 -53 N +ATOM 1766 N GLU A 208 -5.999 -4.536 12.319 1.00 5.10 N +ANISOU 1766 N GLU A 208 859 356 724 117 200 160 N +ATOM 1767 CA GLU A 208 -6.201 -5.645 11.391 1.00 4.95 C +ANISOU 1767 CA GLU A 208 649 568 663 -55 410 125 C +ATOM 1768 C GLU A 208 -4.922 -6.412 11.057 1.00 4.72 C +ANISOU 1768 C GLU A 208 782 402 608 21 255 72 C +ATOM 1769 O GLU A 208 -5.003 -7.488 10.470 1.00 5.80 O +ANISOU 1769 O GLU A 208 978 356 871 -1 217 -12 O +ATOM 1770 CB GLU A 208 -6.822 -5.113 10.068 1.00 5.15 C +ANISOU 1770 CB GLU A 208 797 419 740 77 257 -2 C +ATOM 1771 CG GLU A 208 -8.245 -4.617 10.203 1.00 6.62 C +ANISOU 1771 CG GLU A 208 751 796 968 99 220 -77 C +ATOM 1772 CD GLU A 208 -9.282 -5.719 10.230 1.00 5.88 C +ANISOU 1772 CD GLU A 208 844 687 702 79 309 -68 C +ATOM 1773 OE1 GLU A 208 -9.413 -6.391 11.280 1.00 7.11 O +ANISOU 1773 OE1 GLU A 208 1047 779 873 301 281 142 O +ATOM 1774 OE2 GLU A 208 -9.916 -5.936 9.174 1.00 6.64 O +ANISOU 1774 OE2 GLU A 208 871 810 843 9 195 135 O +ATOM 1775 N LEU A 209 -3.753 -5.876 11.419 1.00 5.14 N +ANISOU 1775 N LEU A 209 722 417 815 111 233 -116 N +ATOM 1776 CA LEU A 209 -2.520 -6.528 11.011 1.00 5.01 C +ANISOU 1776 CA LEU A 209 739 452 714 151 330 2 C +ATOM 1777 C LEU A 209 -2.483 -7.952 11.579 1.00 5.10 C +ANISOU 1777 C LEU A 209 875 427 636 89 182 -14 C +ATOM 1778 O LEU A 209 -2.863 -8.148 12.734 1.00 5.63 O +ANISOU 1778 O LEU A 209 943 485 710 146 300 4 O +ATOM 1779 CB LEU A 209 -1.305 -5.758 11.537 1.00 5.38 C +ANISOU 1779 CB LEU A 209 696 386 962 116 407 22 C +ATOM 1780 CG LEU A 209 -0.936 -4.457 10.805 1.00 5.70 C +ANISOU 1780 CG LEU A 209 961 271 932 215 244 5 C +ATOM 1781 CD1 LEU A 209 0.034 -3.642 11.627 1.00 6.86 C +ANISOU 1781 CD1 LEU A 209 867 441 1297 85 235 -71 C +ATOM 1782 CD2 LEU A 209 -0.359 -4.776 9.439 1.00 6.95 C +ANISOU 1782 CD2 LEU A 209 879 862 901 -17 338 163 C +ATOM 1783 N PRO A 210 -2.008 -8.936 10.817 1.00 4.96 N +ANISOU 1783 N PRO A 210 710 440 733 214 284 26 N +ATOM 1784 CA PRO A 210 -2.018 -10.322 11.305 1.00 5.44 C +ANISOU 1784 CA PRO A 210 685 439 944 24 260 -21 C +ATOM 1785 C PRO A 210 -0.848 -10.616 12.216 1.00 5.36 C +ANISOU 1785 C PRO A 210 874 412 749 188 272 91 C +ATOM 1786 O PRO A 210 0.133 -11.266 11.775 1.00 8.49 O +ANISOU 1786 O PRO A 210 820 1677 730 469 225 -104 O +ATOM 1787 CB PRO A 210 -1.950 -11.100 9.997 1.00 5.59 C +ANISOU 1787 CB PRO A 210 741 424 958 189 213 -64 C +ATOM 1788 CG PRO A 210 -1.185 -10.230 9.061 1.00 5.44 C +ANISOU 1788 CG PRO A 210 792 429 846 144 243 -130 C +ATOM 1789 CD PRO A 210 -1.635 -8.816 9.416 1.00 5.76 C +ANISOU 1789 CD PRO A 210 892 503 792 154 283 -101 C +ATOM 1790 N ILE A 211 -0.913 -10.170 13.446 1.00 5.55 N +ANISOU 1790 N ILE A 211 939 317 853 162 275 -2 N +ATOM 1791 CA ILE A 211 0.179 -10.309 14.393 1.00 5.91 C +ANISOU 1791 CA ILE A 211 865 657 725 128 301 -52 C +ATOM 1792 C ILE A 211 -0.262 -11.200 15.541 1.00 6.03 C +ANISOU 1792 C ILE A 211 906 591 792 276 335 15 C +ATOM 1793 O ILE A 211 -1.308 -11.007 16.154 1.00 6.42 O +ANISOU 1793 O ILE A 211 1068 492 879 323 421 111 O +ATOM 1794 CB ILE A 211 0.636 -8.953 14.957 1.00 5.61 C +ANISOU 1794 CB ILE A 211 868 680 582 204 303 5 C +ATOM 1795 CG1 ILE A 211 0.922 -7.961 13.853 1.00 5.55 C +ANISOU 1795 CG1 ILE A 211 864 598 646 310 362 28 C +ATOM 1796 CG2 ILE A 211 1.834 -9.101 15.907 1.00 6.85 C +ANISOU 1796 CG2 ILE A 211 1114 704 786 100 35 -16 C +ATOM 1797 CD1 ILE A 211 1.101 -6.543 14.312 1.00 6.36 C +ANISOU 1797 CD1 ILE A 211 1172 681 564 178 136 104 C +ATOM 1798 N ALA A 212 0.542 -12.227 15.837 1.00 5.94 N +ANISOU 1798 N ALA A 212 950 565 741 294 400 -93 N +ATOM 1799 CA ALA A 212 0.283 -13.055 17.028 1.00 6.69 C +ANISOU 1799 CA ALA A 212 1072 674 795 162 245 54 C +ATOM 1800 C ALA A 212 -1.105 -13.670 16.976 1.00 6.34 C +ANISOU 1800 C ALA A 212 1008 448 952 265 303 75 C +ATOM 1801 O ALA A 212 -1.768 -13.788 18.002 1.00 7.52 O +ANISOU 1801 O ALA A 212 1263 681 912 83 423 81 O +ATOM 1802 CB ALA A 212 0.528 -12.250 18.292 1.00 8.28 C +ANISOU 1802 CB ALA A 212 1586 779 780 -96 363 14 C +ATOM 1803 N GLY A 213 -1.506 -14.110 15.788 1.00 6.78 N +ANISOU 1803 N GLY A 213 1162 475 939 164 305 32 N +ATOM 1804 CA GLY A 213 -2.728 -14.831 15.623 1.00 7.00 C +ANISOU 1804 CA GLY A 213 1261 686 714 61 236 126 C +ATOM 1805 C GLY A 213 -4.007 -14.054 15.542 1.00 7.50 C +ANISOU 1805 C GLY A 213 1243 774 833 2 97 172 C +ATOM 1806 O GLY A 213 -5.087 -14.641 15.378 1.00 8.70 O +ANISOU 1806 O GLY A 213 1207 810 1290 -82 308 27 O +ATOM 1807 N GLU A 214 -3.931 -12.722 15.669 1.00 7.32 N +ANISOU 1807 N GLU A 214 901 742 1139 63 259 69 N +ATOM 1808 CA AGLU A 214 -5.041 -11.814 15.839 0.50 7.35 C +ANISOU 1808 CA AGLU A 214 865 1105 822 223 218 147 C +ATOM 1809 CA BGLU A 214 -5.151 -11.934 15.693 0.50 8.05 C +ANISOU 1809 CA BGLU A 214 970 1147 943 262 316 312 C +ATOM 1810 C GLU A 214 -5.013 -10.677 14.832 1.00 6.67 C +ANISOU 1810 C GLU A 214 951 697 887 119 216 -63 C +ATOM 1811 O GLU A 214 -3.936 -10.077 14.731 1.00 7.77 O +ANISOU 1811 O GLU A 214 992 932 1026 21 97 8 O +ATOM 1812 CB AGLU A 214 -4.968 -11.208 17.235 0.50 5.75 C +ANISOU 1812 CB AGLU A 214 841 352 990 -30 158 168 C +ATOM 1813 CB BGLU A 214 -5.593 -11.635 17.110 0.50 8.90 C +ANISOU 1813 CB BGLU A 214 901 1513 969 220 254 137 C +ATOM 1814 CG AGLU A 214 -5.888 -10.069 17.549 0.50 9.46 C +ANISOU 1814 CG AGLU A 214 1361 1059 1174 685 49 83 C +ATOM 1815 CG BGLU A 214 -4.740 -10.664 17.880 0.50 12.44 C +ANISOU 1815 CG BGLU A 214 2248 1003 1474 -75 211 -22 C +ATOM 1816 CD AGLU A 214 -7.365 -10.337 17.565 0.50 10.94 C +ANISOU 1816 CD AGLU A 214 1397 952 1809 600 366 -698 C +ATOM 1817 CD BGLU A 214 -5.391 -10.360 19.222 0.50 16.07 C +ANISOU 1817 CD BGLU A 214 3893 1104 1109 -414 465 190 C +ATOM 1818 OE1AGLU A 214 -7.746 -11.496 17.801 0.50 14.09 O +ANISOU 1818 OE1AGLU A 214 1591 1305 2457 457 226 60 O +ATOM 1819 OE1BGLU A 214 -6.180 -11.199 19.719 0.50 14.70 O +ANISOU 1819 OE1BGLU A 214 2293 1216 2076 -69 714 -308 O +ATOM 1820 OE2AGLU A 214 -8.127 -9.344 17.389 0.50 11.54 O +ANISOU 1820 OE2AGLU A 214 1379 1441 1564 819 305 -251 O +ATOM 1821 OE2BGLU A 214 -5.086 -9.277 19.757 0.50 29.46 O +ANISOU 1821 OE2BGLU A 214 6545 2966 1681 -2810 1776 -1036 O +ATOM 1822 N PRO A 215 -6.103 -10.304 14.191 1.00 6.24 N +ANISOU 1822 N PRO A 215 902 643 825 -103 248 175 N +ATOM 1823 CA PRO A 215 -7.393 -10.989 14.201 1.00 6.40 C +ANISOU 1823 CA PRO A 215 922 529 982 -4 320 119 C +ATOM 1824 C PRO A 215 -7.379 -12.237 13.317 1.00 6.92 C +ANISOU 1824 C PRO A 215 1140 453 1037 2 331 98 C +ATOM 1825 O PRO A 215 -6.717 -12.315 12.288 1.00 7.46 O +ANISOU 1825 O PRO A 215 1209 735 890 -15 265 118 O +ATOM 1826 CB PRO A 215 -8.366 -9.964 13.610 1.00 7.59 C +ANISOU 1826 CB PRO A 215 868 672 1345 154 295 29 C +ATOM 1827 CG PRO A 215 -7.545 -8.916 12.997 1.00 9.68 C +ANISOU 1827 CG PRO A 215 1178 974 1526 95 151 564 C +ATOM 1828 CD PRO A 215 -6.135 -9.093 13.381 1.00 6.50 C +ANISOU 1828 CD PRO A 215 1041 523 907 -42 290 98 C +ATOM 1829 N ALA A 216 -8.112 -13.260 13.773 1.00 7.69 N +ANISOU 1829 N ALA A 216 1140 611 1172 -159 381 71 N +ATOM 1830 CA ALA A 216 -8.005 -14.559 13.154 1.00 7.83 C +ANISOU 1830 CA ALA A 216 1149 615 1211 -231 311 69 C +ATOM 1831 C ALA A 216 -8.431 -14.536 11.714 1.00 7.51 C +ANISOU 1831 C ALA A 216 1139 608 1106 -196 387 175 C +ATOM 1832 O ALA A 216 -7.859 -15.242 10.859 1.00 8.40 O +ANISOU 1832 O ALA A 216 1311 699 1183 -36 273 141 O +ATOM 1833 CB ALA A 216 -8.819 -15.567 13.982 1.00 11.77 C +ANISOU 1833 CB ALA A 216 2225 809 1436 -447 340 530 C +ATOM 1834 N ASN A 217 -9.431 -13.729 11.379 1.00 8.41 N +ANISOU 1834 N ASN A 217 1101 701 1392 -152 308 131 N +ATOM 1835 CA ASN A 217 -9.867 -13.738 9.979 1.00 7.83 C +ANISOU 1835 CA ASN A 217 904 620 1452 -29 276 55 C +ATOM 1836 C ASN A 217 -8.782 -13.237 9.044 1.00 6.97 C +ANISOU 1836 C ASN A 217 869 510 1270 16 199 6 C +ATOM 1837 O ASN A 217 -8.568 -13.747 7.944 1.00 8.21 O +ANISOU 1837 O ASN A 217 1077 626 1415 -119 296 -136 O +ATOM 1838 CB ASN A 217 -11.176 -12.936 9.784 1.00 9.71 C +ANISOU 1838 CB ASN A 217 817 1017 1856 44 173 -157 C +ATOM 1839 CG ASN A 217 -10.980 -11.436 9.973 1.00 9.45 C +ANISOU 1839 CG ASN A 217 718 975 1899 280 75 -237 C +ATOM 1840 OD1 ASN A 217 -10.408 -11.001 10.961 1.00 9.83 O +ANISOU 1840 OD1 ASN A 217 1199 1017 1518 53 295 -115 O +ATOM 1841 ND2 ASN A 217 -11.463 -10.642 9.019 1.00 12.22 N +ANISOU 1841 ND2 ASN A 217 1368 1177 2097 457 -178 -177 N +ATOM 1842 N ILE A 218 -8.068 -12.193 9.467 1.00 7.18 N +ANISOU 1842 N ILE A 218 843 672 1213 -60 230 -6 N +ATOM 1843 CA ILE A 218 -7.027 -11.642 8.601 1.00 7.04 C +ANISOU 1843 CA ILE A 218 939 498 1238 -40 291 -24 C +ATOM 1844 C ILE A 218 -5.845 -12.597 8.532 1.00 6.25 C +ANISOU 1844 C ILE A 218 961 514 900 -21 228 -49 C +ATOM 1845 O ILE A 218 -5.264 -12.819 7.472 1.00 6.66 O +ANISOU 1845 O ILE A 218 1083 528 918 3 324 -21 O +ATOM 1846 CB ILE A 218 -6.568 -10.256 9.075 1.00 6.55 C +ANISOU 1846 CB ILE A 218 973 553 962 -6 337 -88 C +ATOM 1847 CG1 ILE A 218 -7.767 -9.299 9.149 1.00 7.59 C +ANISOU 1847 CG1 ILE A 218 1007 596 1281 36 478 37 C +ATOM 1848 CG2 ILE A 218 -5.437 -9.726 8.212 1.00 7.07 C +ANISOU 1848 CG2 ILE A 218 947 519 1222 -89 394 -130 C +ATOM 1849 CD1 ILE A 218 -8.455 -9.016 7.820 1.00 9.76 C +ANISOU 1849 CD1 ILE A 218 1149 940 1618 190 107 35 C +ATOM 1850 N VAL A 219 -5.448 -13.180 9.675 1.00 6.48 N +ANISOU 1850 N VAL A 219 866 697 898 56 364 -5 N +ATOM 1851 CA VAL A 219 -4.364 -14.170 9.643 1.00 6.38 C +ANISOU 1851 CA VAL A 219 905 500 1021 1 400 55 C +ATOM 1852 C VAL A 219 -4.671 -15.264 8.644 1.00 6.55 C +ANISOU 1852 C VAL A 219 940 531 1018 74 240 31 C +ATOM 1853 O VAL A 219 -3.848 -15.645 7.811 1.00 7.15 O +ANISOU 1853 O VAL A 219 1002 594 1120 113 328 -16 O +ATOM 1854 CB VAL A 219 -4.140 -14.799 11.049 1.00 7.39 C +ANISOU 1854 CB VAL A 219 1015 830 961 106 307 65 C +ATOM 1855 CG1 VAL A 219 -3.218 -15.985 10.970 1.00 7.80 C +ANISOU 1855 CG1 VAL A 219 988 898 1078 169 207 -2 C +ATOM 1856 CG2 VAL A 219 -3.658 -13.730 11.998 1.00 7.64 C +ANISOU 1856 CG2 VAL A 219 1114 789 999 193 320 72 C +ATOM 1857 N ALA A 220 -5.901 -15.773 8.636 1.00 6.95 N +ANISOU 1857 N ALA A 220 1038 443 1159 48 437 -108 N +ATOM 1858 CA ALA A 220 -6.232 -16.858 7.712 1.00 7.66 C +ANISOU 1858 CA ALA A 220 1006 774 1129 -59 239 -91 C +ATOM 1859 C ALA A 220 -6.207 -16.401 6.265 1.00 6.75 C +ANISOU 1859 C ALA A 220 748 665 1151 -21 210 -82 C +ATOM 1860 O ALA A 220 -5.750 -17.126 5.374 1.00 8.09 O +ANISOU 1860 O ALA A 220 1221 693 1162 -99 425 -86 O +ATOM 1861 CB ALA A 220 -7.565 -17.479 8.118 1.00 10.75 C +ANISOU 1861 CB ALA A 220 1443 1084 1556 -546 418 22 C +ATOM 1862 N LEU A 221 -6.706 -15.189 5.985 1.00 8.01 N +ANISOU 1862 N LEU A 221 1091 755 1198 44 292 -27 N +ATOM 1863 CA ALEU A 221 -6.741 -14.628 4.649 0.50 7.15 C +ANISOU 1863 CA ALEU A 221 985 506 1227 -172 99 -88 C +ATOM 1864 CA BLEU A 221 -6.730 -14.869 4.549 0.50 7.90 C +ANISOU 1864 CA BLEU A 221 1029 745 1228 -251 66 22 C +ATOM 1865 C LEU A 221 -5.324 -14.467 4.105 1.00 6.34 C +ANISOU 1865 C LEU A 221 982 410 1019 -65 23 77 C +ATOM 1866 O LEU A 221 -5.034 -14.719 2.924 1.00 7.17 O +ANISOU 1866 O LEU A 221 1110 533 1080 75 58 -3 O +ATOM 1867 CB ALEU A 221 -7.520 -13.313 4.764 0.50 7.12 C +ANISOU 1867 CB ALEU A 221 1063 714 927 -13 8 -180 C +ATOM 1868 CB BLEU A 221 -7.751 -13.825 4.135 0.50 8.75 C +ANISOU 1868 CB BLEU A 221 1024 1101 1197 -18 22 -137 C +ATOM 1869 CG ALEU A 221 -7.888 -12.615 3.462 0.50 5.77 C +ANISOU 1869 CG ALEU A 221 801 671 719 7 299 -211 C +ATOM 1870 CG BLEU A 221 -7.472 -12.362 4.427 0.50 10.26 C +ANISOU 1870 CG BLEU A 221 1586 991 1323 290 93 -342 C +ATOM 1871 CD1ALEU A 221 -9.187 -11.854 3.596 0.50 6.29 C +ANISOU 1871 CD1ALEU A 221 965 739 687 149 444 -82 C +ATOM 1872 CD1BLEU A 221 -6.767 -11.646 3.294 0.50 10.82 C +ANISOU 1872 CD1BLEU A 221 1768 739 1606 175 89 -163 C +ATOM 1873 CD2ALEU A 221 -6.750 -11.685 3.095 0.50 8.93 C +ANISOU 1873 CD2ALEU A 221 1074 632 1686 -50 777 -225 C +ATOM 1874 CD2BLEU A 221 -8.787 -11.637 4.702 0.50 15.99 C +ANISOU 1874 CD2BLEU A 221 1603 1880 2591 368 290 -1229 C +ATOM 1875 N VAL A 222 -4.514 -13.904 4.963 1.00 7.03 N +ANISOU 1875 N VAL A 222 888 833 951 -124 119 51 N +ATOM 1876 CA VAL A 222 -3.130 -13.593 4.565 1.00 6.34 C +ANISOU 1876 CA VAL A 222 887 606 917 3 189 -24 C +ATOM 1877 C VAL A 222 -2.354 -14.873 4.417 1.00 6.51 C +ANISOU 1877 C VAL A 222 1029 589 855 2 190 -54 C +ATOM 1878 O VAL A 222 -1.600 -15.050 3.431 1.00 7.49 O +ANISOU 1878 O VAL A 222 974 751 1122 77 281 -49 O +ATOM 1879 CB VAL A 222 -2.497 -12.632 5.586 1.00 5.59 C +ANISOU 1879 CB VAL A 222 920 499 705 -14 227 81 C +ATOM 1880 CG1 VAL A 222 -1.010 -12.510 5.333 1.00 6.87 C +ANISOU 1880 CG1 VAL A 222 936 973 702 -125 244 136 C +ATOM 1881 CG2 VAL A 222 -3.191 -11.287 5.573 1.00 7.38 C +ANISOU 1881 CG2 VAL A 222 1331 557 915 94 174 34 C +ATOM 1882 N GLU A 223 -2.525 -15.854 5.296 1.00 8.11 N +ANISOU 1882 N GLU A 223 1450 450 1182 39 442 -89 N +ATOM 1883 CA GLU A 223 -1.924 -17.177 5.081 1.00 7.46 C +ANISOU 1883 CA GLU A 223 1041 547 1246 48 345 -122 C +ATOM 1884 C GLU A 223 -2.362 -17.744 3.726 1.00 7.38 C +ANISOU 1884 C GLU A 223 1120 471 1215 154 289 -96 C +ATOM 1885 O GLU A 223 -1.578 -18.344 2.971 1.00 8.22 O +ANISOU 1885 O GLU A 223 1431 424 1268 298 288 -117 O +ATOM 1886 CB GLU A 223 -2.358 -18.126 6.198 1.00 8.52 C +ANISOU 1886 CB GLU A 223 1186 727 1325 144 225 159 C +ATOM 1887 CG AGLU A 223 -1.608 -18.016 7.516 0.60 8.83 C +ANISOU 1887 CG AGLU A 223 1352 603 1400 634 129 -102 C +ATOM 1888 CG BGLU A 223 -1.935 -17.754 7.605 0.40 13.00 C +ANISOU 1888 CG BGLU A 223 2341 1282 1318 -83 123 122 C +ATOM 1889 CD AGLU A 223 -2.181 -18.688 8.739 0.60 10.07 C +ANISOU 1889 CD AGLU A 223 1810 661 1356 761 -90 198 C +ATOM 1890 CD BGLU A 223 -1.136 -18.802 8.344 0.40 16.67 C +ANISOU 1890 CD BGLU A 223 2038 2718 1577 941 -370 -334 C +ATOM 1891 OE1AGLU A 223 -1.467 -18.752 9.780 0.60 17.88 O +ANISOU 1891 OE1AGLU A 223 2878 2362 1555 907 -617 173 O +ATOM 1892 OE1BGLU A 223 -0.112 -19.276 7.815 0.40 24.22 O +ANISOU 1892 OE1BGLU A 223 1462 3277 4464 326 603 -168 O +ATOM 1893 OE2AGLU A 223 -3.341 -19.153 8.690 0.60 13.24 O +ANISOU 1893 OE2AGLU A 223 2509 852 1670 -159 26 423 O +ATOM 1894 OE2BGLU A 223 -1.515 -19.148 9.487 0.40 15.89 O +ANISOU 1894 OE2BGLU A 223 3060 758 2218 928 -84 264 O +ATOM 1895 N ALA A 224 -3.626 -17.569 3.363 1.00 7.18 N +ANISOU 1895 N ALA A 224 1108 511 1110 -41 287 82 N +ATOM 1896 CA ALA A 224 -4.078 -18.130 2.069 1.00 7.24 C +ANISOU 1896 CA ALA A 224 1134 507 1110 179 330 -26 C +ATOM 1897 C ALA A 224 -3.418 -17.463 0.886 1.00 6.59 C +ANISOU 1897 C ALA A 224 911 510 1084 78 213 -76 C +ATOM 1898 O ALA A 224 -2.994 -18.135 -0.050 1.00 7.46 O +ANISOU 1898 O ALA A 224 1196 556 1084 -3 287 -136 O +ATOM 1899 CB ALA A 224 -5.582 -18.021 1.933 1.00 7.88 C +ANISOU 1899 CB ALA A 224 1114 711 1171 -145 293 15 C +ATOM 1900 N TYR A 225 -3.295 -16.132 0.893 1.00 6.79 N +ANISOU 1900 N TYR A 225 1099 509 973 70 161 -20 N +ATOM 1901 CA TYR A 225 -2.651 -15.540 -0.284 1.00 6.54 C +ANISOU 1901 CA TYR A 225 1084 541 860 112 113 -18 C +ATOM 1902 C TYR A 225 -1.169 -15.818 -0.310 1.00 5.73 C +ANISOU 1902 C TYR A 225 1065 273 840 -2 90 -39 C +ATOM 1903 O TYR A 225 -0.565 -15.846 -1.383 1.00 6.64 O +ANISOU 1903 O TYR A 225 1112 575 835 89 210 -9 O +ATOM 1904 CB TYR A 225 -3.013 -14.069 -0.415 1.00 5.81 C +ANISOU 1904 CB TYR A 225 805 506 897 -9 348 -65 C +ATOM 1905 CG TYR A 225 -2.496 -12.978 0.448 1.00 5.88 C +ANISOU 1905 CG TYR A 225 931 450 852 32 149 43 C +ATOM 1906 CD1 TYR A 225 -1.148 -12.736 0.705 1.00 5.46 C +ANISOU 1906 CD1 TYR A 225 919 435 719 76 146 110 C +ATOM 1907 CD2 TYR A 225 -3.395 -12.093 1.032 1.00 6.16 C +ANISOU 1907 CD2 TYR A 225 823 495 1022 -69 258 -49 C +ATOM 1908 CE1 TYR A 225 -0.692 -11.730 1.496 1.00 6.13 C +ANISOU 1908 CE1 TYR A 225 877 624 828 58 80 -39 C +ATOM 1909 CE2 TYR A 225 -2.973 -11.028 1.824 1.00 5.60 C +ANISOU 1909 CE2 TYR A 225 910 393 825 125 67 98 C +ATOM 1910 CZ TYR A 225 -1.610 -10.859 2.042 1.00 5.48 C +ANISOU 1910 CZ TYR A 225 911 427 743 -46 141 36 C +ATOM 1911 OH TYR A 225 -1.196 -9.822 2.824 1.00 6.32 O +ANISOU 1911 OH TYR A 225 1051 537 813 -30 120 -69 O +ATOM 1912 N MET A 226 -0.532 -15.979 0.851 1.00 6.26 N +ANISOU 1912 N MET A 226 953 592 832 56 221 -15 N +ATOM 1913 CA MET A 226 0.892 -16.307 0.847 1.00 6.78 C +ANISOU 1913 CA MET A 226 976 546 1054 146 121 20 C +ATOM 1914 C MET A 226 1.098 -17.739 0.359 1.00 7.38 C +ANISOU 1914 C MET A 226 974 687 1142 131 177 -124 C +ATOM 1915 O MET A 226 2.071 -18.000 -0.336 1.00 7.75 O +ANISOU 1915 O MET A 226 1081 863 1000 335 145 -148 O +ATOM 1916 CB MET A 226 1.496 -16.088 2.232 1.00 7.04 C +ANISOU 1916 CB MET A 226 963 719 994 188 167 -29 C +ATOM 1917 CG MET A 226 1.686 -14.644 2.641 1.00 6.87 C +ANISOU 1917 CG MET A 226 1068 687 855 329 78 -13 C +ATOM 1918 SD MET A 226 2.528 -13.609 1.456 1.00 7.76 S +ANISOU 1918 SD MET A 226 1069 774 1105 32 137 -90 S +ATOM 1919 CE MET A 226 4.126 -14.402 1.396 1.00 9.30 C +ANISOU 1919 CE MET A 226 1255 1029 1249 303 273 -44 C +ATOM 1920 N ASN A 227 0.232 -18.678 0.701 1.00 7.12 N +ANISOU 1920 N ASN A 227 1090 584 1031 171 34 -48 N +ATOM 1921 CA ASN A 227 0.327 -20.016 0.132 1.00 7.86 C +ANISOU 1921 CA ASN A 227 1245 566 1175 217 108 -57 C +ATOM 1922 C ASN A 227 0.216 -19.945 -1.391 1.00 7.84 C +ANISOU 1922 C ASN A 227 1153 729 1096 73 132 -167 C +ATOM 1923 O ASN A 227 0.964 -20.600 -2.116 1.00 9.27 O +ANISOU 1923 O ASN A 227 1256 955 1310 211 193 -184 O +ATOM 1924 CB ASN A 227 -0.796 -20.863 0.722 1.00 10.02 C +ANISOU 1924 CB ASN A 227 1729 852 1227 -151 204 39 C +ATOM 1925 CG AASN A 227 -0.893 -22.259 0.173 0.50 9.57 C +ANISOU 1925 CG AASN A 227 1781 579 1277 75 400 320 C +ATOM 1926 CG BASN A 227 -0.618 -21.266 2.170 0.50 17.28 C +ANISOU 1926 CG BASN A 227 3380 1638 1547 143 170 757 C +ATOM 1927 OD1AASN A 227 -0.057 -23.091 0.496 0.50 12.96 O +ANISOU 1927 OD1AASN A 227 2206 1059 1658 403 232 431 O +ATOM 1928 OD1BASN A 227 0.486 -21.198 2.707 0.50 23.23 O +ANISOU 1928 OD1BASN A 227 4361 3100 1364 -752 -688 776 O +ATOM 1929 ND2AASN A 227 -1.907 -22.559 -0.632 0.50 9.73 N +ANISOU 1929 ND2AASN A 227 1879 184 1633 237 315 -175 N +ATOM 1930 ND2BASN A 227 -1.677 -21.691 2.852 0.50 20.37 N +ANISOU 1930 ND2BASN A 227 4129 1698 1913 334 779 1172 N +ATOM 1931 N TRP A 228 -0.720 -19.157 -1.867 1.00 7.66 N +ANISOU 1931 N TRP A 228 1219 663 1028 74 241 -40 N +ATOM 1932 CA TRP A 228 -0.873 -18.970 -3.313 1.00 7.49 C +ANISOU 1932 CA TRP A 228 1134 681 1029 -28 245 -80 C +ATOM 1933 C TRP A 228 0.399 -18.418 -3.921 1.00 7.52 C +ANISOU 1933 C TRP A 228 1122 688 1047 4 256 -144 C +ATOM 1934 O TRP A 228 0.944 -18.897 -4.929 1.00 8.62 O +ANISOU 1934 O TRP A 228 1173 955 1146 23 311 -234 O +ATOM 1935 CB TRP A 228 -2.107 -18.027 -3.555 1.00 9.17 C +ANISOU 1935 CB TRP A 228 1187 1190 1107 246 282 57 C +ATOM 1936 CG TRP A 228 -2.152 -17.690 -5.026 1.00 8.38 C +ANISOU 1936 CG TRP A 228 1120 981 1083 -3 151 -45 C +ATOM 1937 CD1 TRP A 228 -2.650 -18.450 -6.029 1.00 10.14 C +ANISOU 1937 CD1 TRP A 228 1521 970 1362 -126 -234 17 C +ATOM 1938 CD2 TRP A 228 -1.649 -16.498 -5.653 1.00 7.29 C +ANISOU 1938 CD2 TRP A 228 845 848 1079 137 180 -51 C +ATOM 1939 NE1 TRP A 228 -2.498 -17.818 -7.223 1.00 12.15 N +ANISOU 1939 NE1 TRP A 228 2478 930 1209 -57 -292 -75 N +ATOM 1940 CE2 TRP A 228 -1.881 -16.616 -7.040 1.00 8.19 C +ANISOU 1940 CE2 TRP A 228 1182 763 1167 357 -211 104 C +ATOM 1941 CE3 TRP A 228 -1.022 -15.344 -5.180 1.00 8.79 C +ANISOU 1941 CE3 TRP A 228 1259 714 1366 273 -215 10 C +ATOM 1942 CZ2 TRP A 228 -1.507 -15.631 -7.958 1.00 9.04 C +ANISOU 1942 CZ2 TRP A 228 1565 706 1163 639 54 99 C +ATOM 1943 CZ3 TRP A 228 -0.652 -14.367 -6.094 1.00 8.99 C +ANISOU 1943 CZ3 TRP A 228 927 774 1713 181 -127 109 C +ATOM 1944 CH2 TRP A 228 -0.902 -14.533 -7.431 1.00 10.03 C +ANISOU 1944 CH2 TRP A 228 1223 1008 1579 221 -16 323 C +ATOM 1945 N LEU A 229 0.903 -17.369 -3.292 1.00 7.35 N +ANISOU 1945 N LEU A 229 1020 579 1192 90 290 -157 N +ATOM 1946 CA LEU A 229 2.064 -16.675 -3.837 1.00 7.19 C +ANISOU 1946 CA LEU A 229 1245 443 1044 82 281 -15 C +ATOM 1947 C LEU A 229 3.285 -17.579 -3.924 1.00 7.01 C +ANISOU 1947 C LEU A 229 973 715 977 36 248 -18 C +ATOM 1948 O LEU A 229 4.045 -17.552 -4.888 1.00 8.17 O +ANISOU 1948 O LEU A 229 1446 586 1073 190 461 4 O +ATOM 1949 CB LEU A 229 2.402 -15.451 -3.003 1.00 6.63 C +ANISOU 1949 CB LEU A 229 729 864 927 -3 209 -192 C +ATOM 1950 CG LEU A 229 3.430 -14.487 -3.577 1.00 6.64 C +ANISOU 1950 CG LEU A 229 849 660 1014 83 348 -64 C +ATOM 1951 CD1 LEU A 229 2.866 -13.722 -4.759 1.00 6.73 C +ANISOU 1951 CD1 LEU A 229 922 477 1158 411 196 -200 C +ATOM 1952 CD2 LEU A 229 3.889 -13.493 -2.530 1.00 7.97 C +ANISOU 1952 CD2 LEU A 229 1023 726 1280 -59 81 -56 C +ATOM 1953 N HIS A 230 3.472 -18.411 -2.892 1.00 7.97 N +ANISOU 1953 N HIS A 230 1163 877 989 186 195 72 N +ATOM 1954 CA HIS A 230 4.621 -19.318 -2.870 1.00 8.36 C +ANISOU 1954 CA HIS A 230 1204 827 1144 203 388 138 C +ATOM 1955 C HIS A 230 4.532 -20.393 -3.947 1.00 9.97 C +ANISOU 1955 C HIS A 230 1574 976 1237 288 463 90 C +ATOM 1956 O HIS A 230 5.590 -20.947 -4.303 1.00 11.86 O +ANISOU 1956 O HIS A 230 1739 1179 1589 449 542 -149 O +ATOM 1957 CB HIS A 230 4.780 -19.955 -1.497 1.00 9.38 C +ANISOU 1957 CB HIS A 230 1301 1051 1214 316 446 302 C +ATOM 1958 CG HIS A 230 5.576 -19.147 -0.517 1.00 11.49 C +ANISOU 1958 CG HIS A 230 1739 1441 1184 226 228 339 C +ATOM 1959 ND1 HIS A 230 5.129 -18.400 0.547 1.00 16.91 N +ANISOU 1959 ND1 HIS A 230 1873 2437 2114 317 169 -687 N +ATOM 1960 CD2 HIS A 230 6.926 -19.001 -0.457 1.00 14.30 C +ANISOU 1960 CD2 HIS A 230 1649 2087 1699 458 -125 -223 C +ATOM 1961 CE1 HIS A 230 6.126 -17.817 1.216 1.00 12.33 C +ANISOU 1961 CE1 HIS A 230 1709 1900 1075 433 -19 315 C +ATOM 1962 NE2 HIS A 230 7.239 -18.201 0.580 1.00 16.84 N +ANISOU 1962 NE2 HIS A 230 1943 2423 2031 -24 372 -588 N +ATOM 1963 N GLN A 231 3.354 -20.684 -4.443 1.00 10.05 N +ANISOU 1963 N GLN A 231 1729 658 1430 132 268 11 N +ATOM 1964 CA GLN A 231 3.226 -21.691 -5.519 1.00 13.05 C +ANISOU 1964 CA GLN A 231 2869 625 1464 -16 245 38 C +ATOM 1965 C GLN A 231 2.930 -21.077 -6.881 1.00 11.85 C +ANISOU 1965 C GLN A 231 2355 715 1431 234 242 -79 C +ATOM 1966 O GLN A 231 2.857 -21.828 -7.867 1.00 14.52 O +ANISOU 1966 O GLN A 231 3211 907 1400 40 360 -173 O +ATOM 1967 CB AGLN A 231 2.096 -22.658 -5.194 0.60 17.15 C +ANISOU 1967 CB AGLN A 231 3814 782 1922 -654 308 -62 C +ATOM 1968 CB BGLN A 231 2.214 -22.769 -5.160 0.40 15.76 C +ANISOU 1968 CB BGLN A 231 3414 694 1880 -354 470 -147 C +ATOM 1969 CG AGLN A 231 2.360 -23.477 -3.928 0.60 13.53 C +ANISOU 1969 CG AGLN A 231 2110 930 2099 -276 502 79 C +ATOM 1970 CG BGLN A 231 0.770 -22.399 -4.942 0.40 22.70 C +ANISOU 1970 CG BGLN A 231 3251 2426 2948 -859 935 -1556 C +ATOM 1971 CD AGLN A 231 1.094 -24.277 -3.666 0.50 16.64 C +ANISOU 1971 CD AGLN A 231 2458 1047 2817 -437 1174 -167 C +ATOM 1972 CD BGLN A 231 0.013 -23.432 -4.134 0.40 26.03 C +ANISOU 1972 CD BGLN A 231 3635 2885 3369 -1208 1084 -1408 C +ATOM 1973 OE1AGLN A 231 0.687 -25.045 -4.540 0.60 43.30 O +ANISOU 1973 OE1AGLN A 231 5448 5868 5137 -4428 3171 -3184 O +ATOM 1974 OE1BGLN A 231 0.503 -24.543 -3.912 0.40 33.18 O +ANISOU 1974 OE1BGLN A 231 5762 2735 4111 -1230 370 -946 O +ATOM 1975 NE2AGLN A 231 0.491 -24.061 -2.512 0.60 28.08 N +ANISOU 1975 NE2AGLN A 231 4349 3619 2703 -1645 1884 -149 N +ATOM 1976 NE2BGLN A 231 -1.182 -23.111 -3.668 0.40 31.68 N +ANISOU 1976 NE2BGLN A 231 3442 6351 2244 -1238 965 -1411 N +ATOM 1977 N SER A 232 2.748 -19.775 -7.007 1.00 8.93 N +ANISOU 1977 N SER A 232 1361 713 1318 166 230 1 N +ATOM 1978 CA SER A 232 2.399 -19.150 -8.286 1.00 8.21 C +ANISOU 1978 CA SER A 232 1152 730 1238 107 165 -96 C +ATOM 1979 C SER A 232 3.587 -18.898 -9.173 1.00 7.57 C +ANISOU 1979 C SER A 232 1075 670 1133 184 74 -127 C +ATOM 1980 O SER A 232 4.613 -18.410 -8.690 1.00 7.30 O +ANISOU 1980 O SER A 232 1065 596 1113 210 52 -93 O +ATOM 1981 CB SER A 232 1.662 -17.834 -8.002 1.00 8.53 C +ANISOU 1981 CB SER A 232 1419 715 1107 178 436 124 C +ATOM 1982 OG ASER A 232 1.564 -17.138 -9.241 0.60 5.70 O +ANISOU 1982 OG ASER A 232 821 558 785 48 284 -163 O +ATOM 1983 OG BSER A 232 2.550 -16.764 -7.771 0.40 20.99 O +ANISOU 1983 OG BSER A 232 2301 1178 4497 -301 1168 -1291 O +ATOM 1984 N PRO A 233 3.506 -19.190 -10.472 1.00 7.73 N +ANISOU 1984 N PRO A 233 1275 530 1132 -125 50 -80 N +ATOM 1985 CA PRO A 233 4.604 -18.838 -11.390 1.00 7.40 C +ANISOU 1985 CA PRO A 233 1133 628 1051 279 47 74 C +ATOM 1986 C PRO A 233 4.635 -17.378 -11.780 1.00 6.87 C +ANISOU 1986 C PRO A 233 845 534 1231 65 176 -170 C +ATOM 1987 O PRO A 233 5.520 -16.982 -12.557 1.00 8.43 O +ANISOU 1987 O PRO A 233 1189 811 1204 66 349 -34 O +ATOM 1988 CB PRO A 233 4.349 -19.719 -12.623 1.00 12.05 C +ANISOU 1988 CB PRO A 233 2280 694 1603 36 497 -478 C +ATOM 1989 CG PRO A 233 2.853 -19.893 -12.599 1.00 15.39 C +ANISOU 1989 CG PRO A 233 2358 1965 1524 -557 95 -1024 C +ATOM 1990 CD PRO A 233 2.447 -19.915 -11.156 1.00 9.55 C +ANISOU 1990 CD PRO A 233 1396 742 1490 -116 -165 -136 C +ATOM 1991 N VAL A 234 3.690 -16.575 -11.298 1.00 7.61 N +ANISOU 1991 N VAL A 234 1026 550 1316 218 117 -94 N +ATOM 1992 CA VAL A 234 3.627 -15.200 -11.750 1.00 7.56 C +ANISOU 1992 CA VAL A 234 952 564 1356 173 176 -72 C +ATOM 1993 C VAL A 234 4.946 -14.470 -11.530 1.00 6.41 C +ANISOU 1993 C VAL A 234 880 621 937 182 312 -273 C +ATOM 1994 O VAL A 234 5.564 -14.616 -10.471 1.00 7.10 O +ANISOU 1994 O VAL A 234 1057 571 1069 107 157 28 O +ATOM 1995 CB VAL A 234 2.484 -14.448 -11.003 1.00 8.05 C +ANISOU 1995 CB VAL A 234 723 753 1583 315 -47 -213 C +ATOM 1996 CG1 VAL A 234 2.713 -14.309 -9.530 1.00 10.87 C +ANISOU 1996 CG1 VAL A 234 1068 1530 1534 165 200 -476 C +ATOM 1997 CG2 VAL A 234 2.283 -13.067 -11.603 1.00 11.73 C +ANISOU 1997 CG2 VAL A 234 1084 855 2518 595 113 50 C +ATOM 1998 N PRO A 235 5.389 -13.677 -12.477 1.00 6.47 N +ANISOU 1998 N PRO A 235 878 768 812 120 150 -223 N +ATOM 1999 CA PRO A 235 6.598 -12.896 -12.234 1.00 5.80 C +ANISOU 1999 CA PRO A 235 763 566 874 250 94 -156 C +ATOM 2000 C PRO A 235 6.450 -11.963 -11.042 1.00 5.28 C +ANISOU 2000 C PRO A 235 628 468 911 191 82 -115 C +ATOM 2001 O PRO A 235 5.444 -11.286 -10.927 1.00 5.51 O +ANISOU 2001 O PRO A 235 692 485 918 278 -11 -176 O +ATOM 2002 CB PRO A 235 6.783 -12.110 -13.531 1.00 6.62 C +ANISOU 2002 CB PRO A 235 947 625 942 206 148 -115 C +ATOM 2003 CG PRO A 235 6.171 -13.015 -14.571 1.00 6.94 C +ANISOU 2003 CG PRO A 235 1199 574 864 359 89 -43 C +ATOM 2004 CD PRO A 235 4.918 -13.548 -13.866 1.00 7.67 C +ANISOU 2004 CD PRO A 235 1105 822 989 48 -72 -154 C +ATOM 2005 N LYS A 236 7.474 -11.931 -10.199 1.00 5.01 N +ANISOU 2005 N LYS A 236 673 503 728 229 156 -99 N +ATOM 2006 CA LYS A 236 7.510 -11.084 -9.009 1.00 5.04 C +ANISOU 2006 CA LYS A 236 695 420 801 285 126 -144 C +ATOM 2007 C LYS A 236 8.772 -10.247 -8.973 1.00 5.31 C +ANISOU 2007 C LYS A 236 685 412 919 270 79 -64 C +ATOM 2008 O LYS A 236 9.870 -10.730 -9.317 1.00 6.39 O +ANISOU 2008 O LYS A 236 782 560 1087 250 307 -172 O +ATOM 2009 CB LYS A 236 7.458 -11.988 -7.764 1.00 5.24 C +ANISOU 2009 CB LYS A 236 847 489 657 154 207 -236 C +ATOM 2010 CG LYS A 236 6.273 -12.892 -7.711 1.00 5.69 C +ANISOU 2010 CG LYS A 236 832 666 665 161 278 -142 C +ATOM 2011 CD LYS A 236 6.375 -13.979 -6.665 1.00 6.27 C +ANISOU 2011 CD LYS A 236 1145 577 662 94 239 -145 C +ATOM 2012 CE LYS A 236 5.368 -15.118 -6.872 1.00 6.25 C +ANISOU 2012 CE LYS A 236 863 742 769 138 282 -106 C +ATOM 2013 NZ LYS A 236 5.730 -15.926 -8.072 1.00 6.32 N +ANISOU 2013 NZ LYS A 236 896 677 826 7 191 -236 N +ATOM 2014 N LEU A 237 8.614 -9.013 -8.514 1.00 4.76 N +ANISOU 2014 N LEU A 237 692 455 663 155 201 -63 N +ATOM 2015 CA LEU A 237 9.693 -8.060 -8.338 1.00 4.36 C +ANISOU 2015 CA LEU A 237 558 317 782 357 37 -78 C +ATOM 2016 C LEU A 237 9.590 -7.527 -6.903 1.00 4.98 C +ANISOU 2016 C LEU A 237 624 555 714 249 74 -114 C +ATOM 2017 O LEU A 237 8.599 -6.872 -6.606 1.00 6.42 O +ANISOU 2017 O LEU A 237 595 1046 799 377 121 -224 O +ATOM 2018 CB LEU A 237 9.607 -6.966 -9.404 1.00 4.81 C +ANISOU 2018 CB LEU A 237 756 365 705 265 164 -100 C +ATOM 2019 CG LEU A 237 10.686 -5.909 -9.419 1.00 5.99 C +ANISOU 2019 CG LEU A 237 939 584 752 47 55 -13 C +ATOM 2020 CD1 LEU A 237 12.033 -6.516 -9.747 1.00 8.82 C +ANISOU 2020 CD1 LEU A 237 828 687 1837 86 -10 128 C +ATOM 2021 CD2 LEU A 237 10.376 -4.819 -10.439 1.00 6.50 C +ANISOU 2021 CD2 LEU A 237 832 747 889 29 22 188 C +ATOM 2022 N LEU A 238 10.553 -7.817 -6.061 1.00 4.61 N +ANISOU 2022 N LEU A 238 507 545 700 234 195 -149 N +ATOM 2023 CA LEU A 238 10.521 -7.464 -4.650 1.00 5.09 C +ANISOU 2023 CA LEU A 238 689 571 674 36 113 -19 C +ATOM 2024 C LEU A 238 11.607 -6.466 -4.334 1.00 4.42 C +ANISOU 2024 C LEU A 238 488 587 605 151 201 -25 C +ATOM 2025 O LEU A 238 12.795 -6.793 -4.452 1.00 6.78 O +ANISOU 2025 O LEU A 238 540 775 1260 204 284 -181 O +ATOM 2026 CB LEU A 238 10.702 -8.734 -3.794 1.00 6.05 C +ANISOU 2026 CB LEU A 238 778 618 903 81 82 70 C +ATOM 2027 CG LEU A 238 10.873 -8.533 -2.299 1.00 7.02 C +ANISOU 2027 CG LEU A 238 977 897 794 231 215 236 C +ATOM 2028 CD1 LEU A 238 9.697 -7.782 -1.685 1.00 7.03 C +ANISOU 2028 CD1 LEU A 238 880 833 959 76 225 126 C +ATOM 2029 CD2 LEU A 238 11.084 -9.875 -1.623 1.00 10.69 C +ANISOU 2029 CD2 LEU A 238 1932 989 1141 491 113 327 C +ATOM 2030 N PHE A 239 11.220 -5.275 -3.957 1.00 4.61 N +ANISOU 2030 N PHE A 239 611 527 613 140 99 -127 N +ATOM 2031 CA PHE A 239 12.150 -4.262 -3.495 1.00 4.81 C +ANISOU 2031 CA PHE A 239 527 678 623 46 136 -37 C +ATOM 2032 C PHE A 239 12.301 -4.350 -1.999 1.00 4.49 C +ANISOU 2032 C PHE A 239 478 668 560 128 237 -213 C +ATOM 2033 O PHE A 239 11.304 -4.576 -1.318 1.00 5.60 O +ANISOU 2033 O PHE A 239 554 884 689 72 236 15 O +ATOM 2034 CB PHE A 239 11.618 -2.851 -3.848 1.00 5.26 C +ANISOU 2034 CB PHE A 239 641 588 768 -12 55 -101 C +ATOM 2035 CG PHE A 239 11.483 -2.651 -5.335 1.00 4.55 C +ANISOU 2035 CG PHE A 239 505 514 711 174 206 -94 C +ATOM 2036 CD1 PHE A 239 10.327 -2.938 -6.022 1.00 4.56 C +ANISOU 2036 CD1 PHE A 239 473 605 655 162 228 -194 C +ATOM 2037 CD2 PHE A 239 12.558 -2.167 -6.036 1.00 5.15 C +ANISOU 2037 CD2 PHE A 239 418 723 817 87 117 -112 C +ATOM 2038 CE1 PHE A 239 10.235 -2.766 -7.373 1.00 5.04 C +ANISOU 2038 CE1 PHE A 239 486 655 775 89 136 18 C +ATOM 2039 CE2 PHE A 239 12.472 -1.988 -7.412 1.00 5.41 C +ANISOU 2039 CE2 PHE A 239 506 798 752 28 210 32 C +ATOM 2040 CZ PHE A 239 11.311 -2.284 -8.089 1.00 4.96 C +ANISOU 2040 CZ PHE A 239 630 585 671 49 151 110 C +ATOM 2041 N TRP A 240 13.514 -4.191 -1.499 1.00 5.18 N +ANISOU 2041 N TRP A 240 590 825 554 103 119 -119 N +ATOM 2042 CA TRP A 240 13.764 -4.269 -0.083 1.00 5.27 C +ANISOU 2042 CA TRP A 240 614 827 561 133 153 -49 C +ATOM 2043 C TRP A 240 14.797 -3.208 0.307 1.00 5.07 C +ANISOU 2043 C TRP A 240 524 850 553 106 31 19 C +ATOM 2044 O TRP A 240 15.621 -2.785 -0.501 1.00 5.62 O +ANISOU 2044 O TRP A 240 640 763 732 152 231 -108 O +ATOM 2045 CB TRP A 240 14.202 -5.683 0.321 1.00 6.84 C +ANISOU 2045 CB TRP A 240 997 778 822 195 -28 -40 C +ATOM 2046 CG TRP A 240 15.479 -6.126 -0.326 1.00 7.13 C +ANISOU 2046 CG TRP A 240 1038 679 993 222 28 -12 C +ATOM 2047 CD1 TRP A 240 15.613 -6.682 -1.551 1.00 7.73 C +ANISOU 2047 CD1 TRP A 240 993 826 1118 177 83 -186 C +ATOM 2048 CD2 TRP A 240 16.813 -6.044 0.208 1.00 7.49 C +ANISOU 2048 CD2 TRP A 240 1008 984 852 219 41 126 C +ATOM 2049 NE1 TRP A 240 16.946 -6.949 -1.828 1.00 8.42 N +ANISOU 2049 NE1 TRP A 240 990 1000 1209 356 -50 -282 N +ATOM 2050 CE2 TRP A 240 17.697 -6.577 -0.762 1.00 8.07 C +ANISOU 2050 CE2 TRP A 240 988 895 1184 170 6 -208 C +ATOM 2051 CE3 TRP A 240 17.334 -5.564 1.416 1.00 8.27 C +ANISOU 2051 CE3 TRP A 240 1284 912 947 462 -127 -13 C +ATOM 2052 CZ2 TRP A 240 19.064 -6.653 -0.555 1.00 8.63 C +ANISOU 2052 CZ2 TRP A 240 973 755 1551 360 -40 -296 C +ATOM 2053 CZ3 TRP A 240 18.693 -5.641 1.624 1.00 9.50 C +ANISOU 2053 CZ3 TRP A 240 1366 936 1307 369 -414 -242 C +ATOM 2054 CH2 TRP A 240 19.522 -6.175 0.634 1.00 10.89 C +ANISOU 2054 CH2 TRP A 240 982 1543 1611 351 -294 -249 C +ATOM 2055 N GLY A 241 14.759 -2.812 1.586 1.00 5.79 N +ANISOU 2055 N GLY A 241 895 740 563 39 87 17 N +ATOM 2056 CA GLY A 241 15.754 -1.913 2.114 1.00 7.20 C +ANISOU 2056 CA GLY A 241 961 1183 590 74 -22 -212 C +ATOM 2057 C GLY A 241 16.382 -2.430 3.405 1.00 6.50 C +ANISOU 2057 C GLY A 241 807 859 803 324 -5 -189 C +ATOM 2058 O GLY A 241 15.974 -3.452 3.939 1.00 7.25 O +ANISOU 2058 O GLY A 241 968 764 1023 240 -40 -168 O +ATOM 2059 N THR A 242 17.354 -1.658 3.875 1.00 6.95 N +ANISOU 2059 N THR A 242 820 905 914 225 -108 -140 N +ATOM 2060 CA THR A 242 18.069 -1.969 5.115 1.00 8.28 C +ANISOU 2060 CA THR A 242 1072 1078 998 456 -282 -199 C +ATOM 2061 C THR A 242 17.852 -0.819 6.079 1.00 7.46 C +ANISOU 2061 C THR A 242 849 997 990 527 -316 -160 C +ATOM 2062 O THR A 242 18.189 0.322 5.693 1.00 8.37 O +ANISOU 2062 O THR A 242 839 1133 1209 260 -95 -275 O +ATOM 2063 CB THR A 242 19.583 -2.148 4.853 1.00 9.66 C +ANISOU 2063 CB THR A 242 1147 1151 1373 752 -317 -347 C +ATOM 2064 OG1 THR A 242 19.773 -3.272 3.982 1.00 11.69 O +ANISOU 2064 OG1 THR A 242 1433 1081 1928 656 -185 -545 O +ATOM 2065 CG2 THR A 242 20.356 -2.407 6.134 1.00 12.17 C +ANISOU 2065 CG2 THR A 242 1308 1475 1839 699 -707 -219 C +ATOM 2066 N PRO A 243 17.361 -1.056 7.283 1.00 8.48 N +ANISOU 2066 N PRO A 243 1060 1113 1048 490 -217 -186 N +ATOM 2067 CA PRO A 243 17.064 -2.376 7.862 1.00 9.59 C +ANISOU 2067 CA PRO A 243 1310 1327 1007 452 -261 28 C +ATOM 2068 C PRO A 243 15.723 -2.925 7.486 1.00 8.86 C +ANISOU 2068 C PRO A 243 1361 1029 975 404 -273 -29 C +ATOM 2069 O PRO A 243 15.421 -4.056 7.855 1.00 10.21 O +ANISOU 2069 O PRO A 243 1751 847 1281 551 -391 -68 O +ATOM 2070 CB PRO A 243 17.065 -2.103 9.370 1.00 11.08 C +ANISOU 2070 CB PRO A 243 1459 1724 1029 341 -415 -44 C +ATOM 2071 CG PRO A 243 16.578 -0.702 9.463 1.00 11.60 C +ANISOU 2071 CG PRO A 243 1662 1761 983 506 -82 -158 C +ATOM 2072 CD PRO A 243 17.164 0.052 8.275 1.00 9.49 C +ANISOU 2072 CD PRO A 243 1038 1398 1170 506 -34 -334 C +ATOM 2073 N GLY A 244 14.903 -2.146 6.744 1.00 7.86 N +ANISOU 2073 N GLY A 244 1105 1019 864 242 -63 97 N +ATOM 2074 CA GLY A 244 13.542 -2.618 6.503 1.00 7.29 C +ANISOU 2074 CA GLY A 244 1055 803 911 357 31 84 C +ATOM 2075 C GLY A 244 12.709 -2.568 7.758 1.00 7.12 C +ANISOU 2075 C GLY A 244 1069 845 790 281 -73 53 C +ATOM 2076 O GLY A 244 13.188 -2.191 8.806 1.00 7.99 O +ANISOU 2076 O GLY A 244 1238 892 907 24 -94 -139 O +ATOM 2077 N VAL A 245 11.454 -2.959 7.649 1.00 7.19 N +ANISOU 2077 N VAL A 245 1080 923 729 184 -23 -65 N +ATOM 2078 CA VAL A 245 10.509 -3.027 8.769 1.00 6.82 C +ANISOU 2078 CA VAL A 245 1233 774 586 163 33 -34 C +ATOM 2079 C VAL A 245 9.832 -4.386 8.637 1.00 8.34 C +ANISOU 2079 C VAL A 245 1721 792 654 -2 -164 283 C +ATOM 2080 O VAL A 245 10.209 -5.312 9.351 1.00 10.80 O +ANISOU 2080 O VAL A 245 2400 846 857 139 -243 362 O +ATOM 2081 CB VAL A 245 9.538 -1.835 8.824 1.00 7.68 C +ANISOU 2081 CB VAL A 245 1267 854 799 178 188 -184 C +ATOM 2082 CG1 VAL A 245 8.466 -2.056 9.878 1.00 8.06 C +ANISOU 2082 CG1 VAL A 245 1366 660 1037 158 250 -100 C +ATOM 2083 CG2 VAL A 245 10.334 -0.553 9.088 1.00 8.45 C +ANISOU 2083 CG2 VAL A 245 1529 816 865 94 216 78 C +ATOM 2084 N LEU A 246 8.867 -4.559 7.752 1.00 7.46 N +ANISOU 2084 N LEU A 246 1341 647 848 94 -11 -8 N +ATOM 2085 CA LEU A 246 8.155 -5.818 7.601 1.00 7.56 C +ANISOU 2085 CA LEU A 246 1330 612 929 73 301 -34 C +ATOM 2086 C LEU A 246 9.007 -6.879 6.921 1.00 7.26 C +ANISOU 2086 C LEU A 246 1263 646 850 109 111 -47 C +ATOM 2087 O LEU A 246 8.780 -8.076 7.165 1.00 8.13 O +ANISOU 2087 O LEU A 246 1369 632 1087 110 243 56 O +ATOM 2088 CB LEU A 246 6.860 -5.622 6.794 1.00 6.21 C +ANISOU 2088 CB LEU A 246 1264 309 788 -23 357 -11 C +ATOM 2089 CG LEU A 246 5.818 -4.693 7.442 1.00 6.65 C +ANISOU 2089 CG LEU A 246 1300 416 812 5 472 -10 C +ATOM 2090 CD1 LEU A 246 4.572 -4.620 6.570 1.00 7.61 C +ANISOU 2090 CD1 LEU A 246 1206 740 945 12 508 -8 C +ATOM 2091 CD2 LEU A 246 5.489 -5.098 8.865 1.00 8.75 C +ANISOU 2091 CD2 LEU A 246 1548 870 907 143 561 137 C +ATOM 2092 N ILE A 247 9.949 -6.461 6.072 1.00 6.96 N +ANISOU 2092 N ILE A 247 1096 602 946 265 108 83 N +ATOM 2093 CA ILE A 247 10.748 -7.421 5.275 1.00 7.08 C +ANISOU 2093 CA ILE A 247 1100 496 1094 318 75 31 C +ATOM 2094 C ILE A 247 12.211 -7.055 5.426 1.00 7.75 C +ANISOU 2094 C ILE A 247 1085 808 1050 236 26 -75 C +ATOM 2095 O ILE A 247 12.779 -6.360 4.605 1.00 8.22 O +ANISOU 2095 O ILE A 247 1088 745 1290 308 48 110 O +ATOM 2096 CB ILE A 247 10.299 -7.465 3.814 1.00 7.32 C +ANISOU 2096 CB ILE A 247 951 716 1113 325 41 -80 C +ATOM 2097 CG1 ILE A 247 8.808 -7.670 3.559 1.00 7.36 C +ANISOU 2097 CG1 ILE A 247 913 884 1000 31 360 -262 C +ATOM 2098 CG2 ILE A 247 11.099 -8.563 3.053 1.00 9.69 C +ANISOU 2098 CG2 ILE A 247 1177 1256 1249 484 210 -310 C +ATOM 2099 CD1 ILE A 247 8.195 -8.972 4.003 1.00 10.63 C +ANISOU 2099 CD1 ILE A 247 1577 988 1473 -135 556 -182 C +ATOM 2100 N PRO A 248 12.847 -7.510 6.501 1.00 8.01 N +ANISOU 2100 N PRO A 248 1271 710 1064 102 -113 -119 N +ATOM 2101 CA PRO A 248 14.261 -7.227 6.691 1.00 9.47 C +ANISOU 2101 CA PRO A 248 1193 1041 1366 248 -171 -31 C +ATOM 2102 C PRO A 248 15.120 -7.915 5.636 1.00 8.75 C +ANISOU 2102 C PRO A 248 1232 720 1375 329 -178 9 C +ATOM 2103 O PRO A 248 14.638 -8.845 4.959 1.00 9.63 O +ANISOU 2103 O PRO A 248 1279 742 1639 217 -250 10 O +ATOM 2104 CB PRO A 248 14.567 -7.870 8.048 1.00 13.76 C +ANISOU 2104 CB PRO A 248 1512 2468 1247 -57 -310 219 C +ATOM 2105 CG PRO A 248 13.273 -8.116 8.720 1.00 15.89 C +ANISOU 2105 CG PRO A 248 1565 3371 1100 217 -180 228 C +ATOM 2106 CD PRO A 248 12.246 -8.211 7.639 1.00 8.92 C +ANISOU 2106 CD PRO A 248 1352 1175 863 303 65 -203 C +ATOM 2107 N PRO A 249 16.340 -7.457 5.455 1.00 10.08 N +ANISOU 2107 N PRO A 249 1167 1025 1639 319 -115 -435 N +ATOM 2108 CA PRO A 249 17.226 -8.014 4.428 1.00 9.41 C +ANISOU 2108 CA PRO A 249 1148 770 1655 452 -124 -255 C +ATOM 2109 C PRO A 249 17.289 -9.526 4.387 1.00 8.91 C +ANISOU 2109 C PRO A 249 1130 770 1484 244 -101 -199 C +ATOM 2110 O PRO A 249 17.189 -10.094 3.304 1.00 10.61 O +ANISOU 2110 O PRO A 249 1539 845 1647 528 -206 -326 O +ATOM 2111 CB PRO A 249 18.592 -7.381 4.757 1.00 8.87 C +ANISOU 2111 CB PRO A 249 1207 698 1465 348 -163 -233 C +ATOM 2112 CG PRO A 249 18.197 -6.029 5.309 1.00 10.27 C +ANISOU 2112 CG PRO A 249 1259 752 1893 407 -34 -264 C +ATOM 2113 CD PRO A 249 16.993 -6.313 6.122 1.00 10.06 C +ANISOU 2113 CD PRO A 249 1068 1117 1637 362 -194 -457 C +ATOM 2114 N ALA A 250 17.446 -10.231 5.490 1.00 10.73 N +ANISOU 2114 N ALA A 250 1496 940 1641 516 -165 -91 N +ATOM 2115 CA ALA A 250 17.547 -11.669 5.460 1.00 11.27 C +ANISOU 2115 CA ALA A 250 1493 957 1831 725 -454 -154 C +ATOM 2116 C ALA A 250 16.252 -12.305 5.019 1.00 10.11 C +ANISOU 2116 C ALA A 250 1431 1013 1399 474 -70 -148 C +ATOM 2117 O ALA A 250 16.246 -13.368 4.383 1.00 10.12 O +ANISOU 2117 O ALA A 250 1580 924 1342 473 22 -55 O +ATOM 2118 CB ALA A 250 17.923 -12.250 6.833 1.00 13.68 C +ANISOU 2118 CB ALA A 250 2151 936 2110 299 -806 76 C +ATOM 2119 N GLU A 251 15.132 -11.687 5.338 1.00 9.22 N +ANISOU 2119 N GLU A 251 1451 854 1197 331 2 -113 N +ATOM 2120 CA GLU A 251 13.856 -12.240 4.852 1.00 9.00 C +ANISOU 2120 CA GLU A 251 1401 706 1313 415 -88 -69 C +ATOM 2121 C GLU A 251 13.650 -11.969 3.372 1.00 8.61 C +ANISOU 2121 C GLU A 251 1318 637 1315 434 -18 -17 C +ATOM 2122 O GLU A 251 13.063 -12.824 2.690 1.00 8.50 O +ANISOU 2122 O GLU A 251 1167 729 1335 304 -109 39 O +ATOM 2123 CB GLU A 251 12.730 -11.667 5.710 1.00 9.39 C +ANISOU 2123 CB GLU A 251 1445 823 1301 200 0 -274 C +ATOM 2124 CG GLU A 251 12.808 -12.157 7.155 1.00 10.53 C +ANISOU 2124 CG GLU A 251 1380 1137 1486 160 12 108 C +ATOM 2125 CD GLU A 251 12.722 -13.674 7.220 1.00 12.32 C +ANISOU 2125 CD GLU A 251 1752 1059 1868 332 58 4 C +ATOM 2126 OE1 GLU A 251 13.630 -14.295 7.829 1.00 13.69 O +ANISOU 2126 OE1 GLU A 251 1940 1133 2128 519 -48 -91 O +ATOM 2127 OE2 GLU A 251 11.722 -14.237 6.693 1.00 13.57 O +ANISOU 2127 OE2 GLU A 251 2132 1222 1804 -2 -78 20 O +ATOM 2128 N ALA A 252 14.088 -10.820 2.860 1.00 8.59 N +ANISOU 2128 N ALA A 252 1447 547 1268 336 111 -141 N +ATOM 2129 CA ALA A 252 14.053 -10.584 1.419 1.00 7.89 C +ANISOU 2129 CA ALA A 252 1066 633 1301 323 143 -120 C +ATOM 2130 C ALA A 252 14.868 -11.644 0.703 1.00 7.74 C +ANISOU 2130 C ALA A 252 1042 673 1224 343 80 -112 C +ATOM 2131 O ALA A 252 14.450 -12.164 -0.324 1.00 8.52 O +ANISOU 2131 O ALA A 252 1431 667 1138 365 76 -28 O +ATOM 2132 CB ALA A 252 14.542 -9.173 1.091 1.00 9.54 C +ANISOU 2132 CB ALA A 252 1512 613 1501 372 140 37 C +ATOM 2133 N ALA A 253 16.039 -12.001 1.255 1.00 9.12 N +ANISOU 2133 N ALA A 253 1129 884 1450 479 26 -125 N +ATOM 2134 CA ALA A 253 16.866 -13.018 0.626 1.00 9.63 C +ANISOU 2134 CA ALA A 253 882 946 1833 297 143 -254 C +ATOM 2135 C ALA A 253 16.207 -14.391 0.639 1.00 10.06 C +ANISOU 2135 C ALA A 253 1688 748 1386 299 -264 113 C +ATOM 2136 O ALA A 253 16.282 -15.139 -0.333 1.00 10.14 O +ANISOU 2136 O ALA A 253 1393 880 1581 142 -79 -14 O +ATOM 2137 CB ALA A 253 18.230 -13.077 1.313 1.00 11.42 C +ANISOU 2137 CB ALA A 253 1151 1159 2031 629 -146 -322 C +ATOM 2138 N ARG A 254 15.526 -14.699 1.745 1.00 9.20 N +ANISOU 2138 N ARG A 254 1574 564 1359 321 -300 47 N +ATOM 2139 CA ARG A 254 14.774 -15.941 1.793 1.00 8.76 C +ANISOU 2139 CA ARG A 254 1339 675 1314 324 -177 -136 C +ATOM 2140 C ARG A 254 13.663 -15.982 0.752 1.00 8.85 C +ANISOU 2140 C ARG A 254 1268 826 1269 349 -61 -68 C +ATOM 2141 O ARG A 254 13.433 -16.988 0.100 1.00 8.37 O +ANISOU 2141 O ARG A 254 1230 795 1155 117 -74 30 O +ATOM 2142 CB ARG A 254 14.198 -16.152 3.197 1.00 9.90 C +ANISOU 2142 CB ARG A 254 1574 813 1375 338 -131 62 C +ATOM 2143 CG ARG A 254 15.248 -16.723 4.137 1.00 9.95 C +ANISOU 2143 CG ARG A 254 1573 801 1407 250 -259 -19 C +ATOM 2144 CD ARG A 254 14.787 -16.668 5.584 1.00 12.45 C +ANISOU 2144 CD ARG A 254 2088 1186 1454 833 -142 -8 C +ATOM 2145 NE ARG A 254 15.320 -17.758 6.369 1.00 12.05 N +ANISOU 2145 NE ARG A 254 1935 1095 1547 451 -289 164 N +ATOM 2146 CZ ARG A 254 15.256 -17.916 7.664 1.00 14.30 C +ANISOU 2146 CZ ARG A 254 2641 1398 1394 972 -326 -122 C +ATOM 2147 NH1 ARG A 254 15.801 -19.017 8.228 1.00 13.31 N +ANISOU 2147 NH1 ARG A 254 2082 1307 1669 399 -346 252 N +ATOM 2148 NH2 ARG A 254 14.670 -17.014 8.448 1.00 20.06 N +ANISOU 2148 NH2 ARG A 254 3737 1701 2184 1016 -285 -885 N +ATOM 2149 N LEU A 255 12.948 -14.869 0.618 1.00 9.12 N +ANISOU 2149 N LEU A 255 1332 980 1153 458 -92 -104 N +ATOM 2150 CA LEU A 255 11.891 -14.765 -0.388 1.00 7.62 C +ANISOU 2150 CA LEU A 255 1109 698 1088 276 42 -26 C +ATOM 2151 C LEU A 255 12.415 -14.873 -1.821 1.00 7.86 C +ANISOU 2151 C LEU A 255 1086 775 1124 468 55 -146 C +ATOM 2152 O LEU A 255 11.725 -15.438 -2.648 1.00 8.83 O +ANISOU 2152 O LEU A 255 1229 1081 1044 481 11 -116 O +ATOM 2153 CB LEU A 255 11.102 -13.486 -0.186 1.00 7.77 C +ANISOU 2153 CB LEU A 255 1075 846 1033 364 156 -82 C +ATOM 2154 CG LEU A 255 10.217 -13.480 1.079 1.00 7.36 C +ANISOU 2154 CG LEU A 255 1335 495 965 316 161 104 C +ATOM 2155 CD1 LEU A 255 9.853 -12.070 1.454 1.00 8.96 C +ANISOU 2155 CD1 LEU A 255 1020 674 1712 497 204 -254 C +ATOM 2156 CD2 LEU A 255 8.982 -14.330 0.895 1.00 8.36 C +ANISOU 2156 CD2 LEU A 255 1484 669 1025 140 310 39 C +ATOM 2157 N ALA A 256 13.594 -14.349 -2.084 1.00 9.22 N +ANISOU 2157 N ALA A 256 1240 1047 1214 302 89 142 N +ATOM 2158 CA ALA A 256 14.188 -14.505 -3.406 1.00 11.13 C +ANISOU 2158 CA ALA A 256 1523 1351 1356 -125 252 -35 C +ATOM 2159 C ALA A 256 14.266 -15.981 -3.796 1.00 10.14 C +ANISOU 2159 C ALA A 256 1096 1404 1355 54 215 -136 C +ATOM 2160 O ALA A 256 14.160 -16.392 -4.941 1.00 12.70 O +ANISOU 2160 O ALA A 256 1771 1738 1316 455 330 -268 O +ATOM 2161 CB ALA A 256 15.576 -13.880 -3.415 1.00 12.65 C +ANISOU 2161 CB ALA A 256 1421 1238 2149 -24 398 83 C +ATOM 2162 N GLU A 257 14.522 -16.813 -2.775 1.00 11.08 N +ANISOU 2162 N GLU A 257 1299 1434 1477 113 8 -109 N +ATOM 2163 CA GLU A 257 14.698 -18.241 -2.963 1.00 11.73 C +ANISOU 2163 CA GLU A 257 1526 1517 1413 429 105 -156 C +ATOM 2164 C GLU A 257 13.366 -18.984 -2.928 1.00 10.16 C +ANISOU 2164 C GLU A 257 1488 808 1565 648 -96 -292 C +ATOM 2165 O GLU A 257 13.144 -19.923 -3.716 1.00 17.38 O +ANISOU 2165 O GLU A 257 2495 1486 2621 197 383 -1159 O +ATOM 2166 CB GLU A 257 15.667 -18.825 -1.929 1.00 12.88 C +ANISOU 2166 CB GLU A 257 1446 1837 1609 830 -107 -585 C +ATOM 2167 CG AGLU A 257 17.016 -18.229 -1.741 0.50 17.15 C +ANISOU 2167 CG AGLU A 257 1590 2622 2305 533 -170 -625 C +ATOM 2168 CG BGLU A 257 16.276 -20.173 -2.207 0.50 11.16 C +ANISOU 2168 CG BGLU A 257 642 1600 1999 360 372 -352 C +ATOM 2169 CD AGLU A 257 17.815 -18.134 -3.019 0.50 13.57 C +ANISOU 2169 CD AGLU A 257 1449 1482 2226 615 -304 -64 C +ATOM 2170 CD BGLU A 257 17.139 -20.378 -3.433 0.50 7.03 C +ANISOU 2170 CD BGLU A 257 680 365 1628 53 268 70 C +ATOM 2171 OE1AGLU A 257 17.528 -18.934 -3.934 0.50 15.52 O +ANISOU 2171 OE1AGLU A 257 1505 1731 2661 -173 695 -508 O +ATOM 2172 OE1BGLU A 257 17.390 -19.362 -4.132 0.50 10.49 O +ANISOU 2172 OE1BGLU A 257 2047 32 1907 185 60 58 O +ATOM 2173 OE2AGLU A 257 18.695 -17.265 -3.108 0.50 18.66 O +ANISOU 2173 OE2AGLU A 257 1953 2783 2354 -383 -721 -407 O +ATOM 2174 OE2BGLU A 257 17.562 -21.524 -3.743 0.50 5.45 O +ANISOU 2174 OE2BGLU A 257 1229 16 825 -122 193 307 O +ATOM 2175 N SER A 258 12.424 -18.569 -2.088 1.00 9.05 N +ANISOU 2175 N SER A 258 1573 715 1151 299 76 12 N +ATOM 2176 CA SER A 258 11.170 -19.302 -1.851 1.00 10.01 C +ANISOU 2176 CA SER A 258 1796 682 1325 104 -86 103 C +ATOM 2177 C SER A 258 9.972 -18.901 -2.698 1.00 12.55 C +ANISOU 2177 C SER A 258 1943 1069 1754 -206 -500 157 C +ATOM 2178 O SER A 258 8.978 -19.615 -2.749 1.00 15.28 O +ANISOU 2178 O SER A 258 2387 1654 1765 -712 -685 559 O +ATOM 2179 CB SER A 258 10.779 -19.165 -0.373 1.00 10.57 C +ANISOU 2179 CB SER A 258 1735 877 1405 329 145 270 C +ATOM 2180 OG SER A 258 10.372 -17.846 -0.030 1.00 10.71 O +ANISOU 2180 OG SER A 258 1567 944 1558 158 240 53 O +ATOM 2181 N LEU A 259 10.051 -17.752 -3.339 1.00 8.16 N +ANISOU 2181 N LEU A 259 1115 1017 970 208 136 -49 N +ATOM 2182 CA LEU A 259 9.010 -17.307 -4.247 1.00 8.27 C +ANISOU 2182 CA LEU A 259 1004 1175 964 -21 53 -138 C +ATOM 2183 C LEU A 259 9.430 -17.597 -5.686 1.00 7.72 C +ANISOU 2183 C LEU A 259 912 984 1039 168 124 -44 C +ATOM 2184 O LEU A 259 10.508 -17.158 -6.077 1.00 9.92 O +ANISOU 2184 O LEU A 259 1054 1562 1151 -158 183 59 O +ATOM 2185 CB LEU A 259 8.700 -15.812 -4.134 1.00 8.13 C +ANISOU 2185 CB LEU A 259 1110 1242 738 273 17 -29 C +ATOM 2186 CG LEU A 259 8.247 -15.315 -2.760 1.00 9.14 C +ANISOU 2186 CG LEU A 259 946 1606 922 575 136 -80 C +ATOM 2187 CD1 LEU A 259 8.116 -13.809 -2.809 1.00 12.57 C +ANISOU 2187 CD1 LEU A 259 1922 1631 1224 857 -64 -244 C +ATOM 2188 CD2 LEU A 259 6.951 -15.963 -2.327 1.00 12.61 C +ANISOU 2188 CD2 LEU A 259 1062 2501 1230 313 341 -347 C +ATOM 2189 N PRO A 260 8.595 -18.289 -6.445 1.00 6.66 N +ANISOU 2189 N PRO A 260 940 700 892 164 136 56 N +ATOM 2190 CA PRO A 260 8.968 -18.536 -7.843 1.00 7.14 C +ANISOU 2190 CA PRO A 260 1049 733 932 120 248 61 C +ATOM 2191 C PRO A 260 9.119 -17.283 -8.686 1.00 5.89 C +ANISOU 2191 C PRO A 260 834 670 734 261 124 -12 C +ATOM 2192 O PRO A 260 8.373 -16.323 -8.486 1.00 6.76 O +ANISOU 2192 O PRO A 260 934 671 966 207 187 -110 O +ATOM 2193 CB PRO A 260 7.822 -19.370 -8.394 1.00 8.47 C +ANISOU 2193 CB PRO A 260 1496 844 876 -87 137 63 C +ATOM 2194 CG PRO A 260 7.236 -20.034 -7.187 1.00 7.56 C +ANISOU 2194 CG PRO A 260 1148 679 1043 110 358 32 C +ATOM 2195 CD PRO A 260 7.351 -18.990 -6.077 1.00 6.98 C +ANISOU 2195 CD PRO A 260 992 688 973 173 287 68 C +ATOM 2196 N ASN A 261 10.048 -17.314 -9.643 1.00 6.39 N +ANISOU 2196 N ASN A 261 973 497 957 177 294 -37 N +ATOM 2197 CA ASN A 261 10.223 -16.257 -10.644 1.00 6.74 C +ANISOU 2197 CA ASN A 261 1010 644 907 147 144 75 C +ATOM 2198 C ASN A 261 10.253 -14.888 -9.980 1.00 5.79 C +ANISOU 2198 C ASN A 261 659 602 941 167 199 43 C +ATOM 2199 O ASN A 261 9.600 -13.940 -10.408 1.00 7.21 O +ANISOU 2199 O ASN A 261 903 799 1039 382 143 1 O +ATOM 2200 CB ASN A 261 9.146 -16.345 -11.718 1.00 7.92 C +ANISOU 2200 CB ASN A 261 1138 618 1255 66 -81 -70 C +ATOM 2201 CG ASN A 261 9.311 -17.627 -12.510 1.00 7.81 C +ANISOU 2201 CG ASN A 261 1140 792 1035 22 351 -125 C +ATOM 2202 OD1 ASN A 261 10.411 -18.048 -12.786 1.00 9.36 O +ANISOU 2202 OD1 ASN A 261 1088 1055 1412 13 292 -121 O +ATOM 2203 ND2 ASN A 261 8.194 -18.239 -12.851 1.00 8.47 N +ANISOU 2203 ND2 ASN A 261 1165 939 1113 -41 421 -438 N +ATOM 2204 N CYS A 262 11.067 -14.760 -8.965 1.00 6.60 N +ANISOU 2204 N CYS A 262 909 568 1029 251 97 61 N +ATOM 2205 CA CYS A 262 11.192 -13.576 -8.140 1.00 7.92 C +ANISOU 2205 CA CYS A 262 1046 793 1169 54 29 -84 C +ATOM 2206 C CYS A 262 12.575 -12.936 -8.335 1.00 8.18 C +ANISOU 2206 C CYS A 262 854 787 1466 183 88 -116 C +ATOM 2207 O CYS A 262 13.631 -13.595 -8.190 1.00 10.79 O +ANISOU 2207 O CYS A 262 1063 862 2174 408 -18 -248 O +ATOM 2208 CB CYS A 262 10.992 -13.916 -6.685 1.00 9.25 C +ANISOU 2208 CB CYS A 262 1415 953 1148 -12 204 -199 C +ATOM 2209 SG CYS A 262 11.029 -12.487 -5.595 1.00 10.85 S +ANISOU 2209 SG CYS A 262 1740 1046 1336 183 272 -335 S +ATOM 2210 N LYS A 263 12.578 -11.679 -8.675 1.00 6.83 N +ANISOU 2210 N LYS A 263 560 775 1259 284 280 -275 N +ATOM 2211 CA LYS A 263 13.726 -10.820 -8.776 1.00 7.59 C +ANISOU 2211 CA LYS A 263 763 816 1306 122 210 -289 C +ATOM 2212 C LYS A 263 13.709 -9.855 -7.592 1.00 6.90 C +ANISOU 2212 C LYS A 263 732 709 1182 167 261 -158 C +ATOM 2213 O LYS A 263 12.674 -9.229 -7.355 1.00 7.96 O +ANISOU 2213 O LYS A 263 765 1094 1167 374 130 -275 O +ATOM 2214 CB LYS A 263 13.741 -10.045 -10.089 1.00 8.09 C +ANISOU 2214 CB LYS A 263 1156 730 1188 106 347 -391 C +ATOM 2215 CG LYS A 263 14.882 -9.039 -10.193 1.00 9.11 C +ANISOU 2215 CG LYS A 263 1167 1104 1190 -31 423 -246 C +ATOM 2216 CD LYS A 263 14.869 -8.324 -11.540 1.00 11.02 C +ANISOU 2216 CD LYS A 263 1566 1307 1316 16 478 -60 C +ATOM 2217 CE LYS A 263 15.786 -7.131 -11.586 1.00 12.53 C +ANISOU 2217 CE LYS A 263 1791 1268 1700 -10 618 11 C +ATOM 2218 NZ LYS A 263 17.214 -7.430 -11.530 1.00 14.65 N +ANISOU 2218 NZ LYS A 263 1685 1904 1978 -278 119 -212 N +ATOM 2219 N THR A 264 14.783 -9.782 -6.826 1.00 7.58 N +ANISOU 2219 N THR A 264 703 720 1457 309 163 -357 N +ATOM 2220 CA THR A 264 14.847 -8.842 -5.743 1.00 7.60 C +ANISOU 2220 CA THR A 264 874 785 1229 219 193 -275 C +ATOM 2221 C THR A 264 15.731 -7.663 -6.140 1.00 7.27 C +ANISOU 2221 C THR A 264 538 930 1296 225 159 -378 C +ATOM 2222 O THR A 264 16.702 -7.813 -6.870 1.00 9.91 O +ANISOU 2222 O THR A 264 917 1354 1492 12 555 -809 O +ATOM 2223 CB THR A 264 15.359 -9.441 -4.424 1.00 10.29 C +ANISOU 2223 CB THR A 264 1300 1068 1541 459 -153 -62 C +ATOM 2224 OG1 THR A 264 16.648 -10.009 -4.591 1.00 13.68 O +ANISOU 2224 OG1 THR A 264 1475 1725 1999 728 -198 -312 O +ATOM 2225 CG2 THR A 264 14.415 -10.572 -4.009 1.00 13.65 C +ANISOU 2225 CG2 THR A 264 1792 1276 2121 394 -120 554 C +ATOM 2226 N VAL A 265 15.373 -6.505 -5.614 1.00 6.56 N +ANISOU 2226 N VAL A 265 605 807 1079 154 296 -248 N +ATOM 2227 CA VAL A 265 16.124 -5.282 -5.844 1.00 6.12 C +ANISOU 2227 CA VAL A 265 464 900 961 180 275 -199 C +ATOM 2228 C VAL A 265 16.376 -4.600 -4.496 1.00 5.33 C +ANISOU 2228 C VAL A 265 554 692 778 15 343 -37 C +ATOM 2229 O VAL A 265 15.441 -4.206 -3.822 1.00 6.84 O +ANISOU 2229 O VAL A 265 462 1159 979 106 328 -155 O +ATOM 2230 CB VAL A 265 15.378 -4.299 -6.773 1.00 7.56 C +ANISOU 2230 CB VAL A 265 907 1083 882 66 160 -22 C +ATOM 2231 CG1 VAL A 265 16.115 -2.955 -6.835 1.00 8.61 C +ANISOU 2231 CG1 VAL A 265 982 1081 1208 16 195 58 C +ATOM 2232 CG2 VAL A 265 15.149 -4.879 -8.169 1.00 10.17 C +ANISOU 2232 CG2 VAL A 265 1385 1496 984 -8 -25 -182 C +ATOM 2233 N ASP A 266 17.661 -4.440 -4.185 1.00 6.86 N +ANISOU 2233 N ASP A 266 492 1035 1081 168 303 -344 N +ATOM 2234 CA ASP A 266 18.176 -3.713 -3.031 1.00 6.44 C +ANISOU 2234 CA ASP A 266 657 943 848 116 200 -99 C +ATOM 2235 C ASP A 266 18.094 -2.217 -3.264 1.00 6.70 C +ANISOU 2235 C ASP A 266 494 928 1123 70 232 -111 C +ATOM 2236 O ASP A 266 18.748 -1.705 -4.206 1.00 7.23 O +ANISOU 2236 O ASP A 266 600 1224 921 59 83 90 O +ATOM 2237 CB ASP A 266 19.625 -4.149 -2.786 1.00 7.14 C +ANISOU 2237 CB ASP A 266 601 897 1213 54 144 -111 C +ATOM 2238 CG ASP A 266 20.298 -3.572 -1.575 1.00 7.96 C +ANISOU 2238 CG ASP A 266 854 1062 1108 284 -14 -67 C +ATOM 2239 OD1 ASP A 266 19.685 -2.716 -0.909 1.00 8.92 O +ANISOU 2239 OD1 ASP A 266 1038 1182 1170 461 -195 -126 O +ATOM 2240 OD2 ASP A 266 21.474 -3.944 -1.311 1.00 10.10 O +ANISOU 2240 OD2 ASP A 266 807 1578 1454 361 -118 -350 O +ATOM 2241 N ILE A 267 17.275 -1.506 -2.497 1.00 5.94 N +ANISOU 2241 N ILE A 267 651 806 801 31 100 -120 N +ATOM 2242 CA ILE A 267 17.162 -0.068 -2.723 1.00 5.91 C +ANISOU 2242 CA ILE A 267 752 790 703 23 75 24 C +ATOM 2243 C ILE A 267 18.114 0.779 -1.870 1.00 5.30 C +ANISOU 2243 C ILE A 267 630 753 633 197 214 -195 C +ATOM 2244 O ILE A 267 18.112 1.996 -2.015 1.00 6.37 O +ANISOU 2244 O ILE A 267 696 833 890 -25 176 -69 O +ATOM 2245 CB ILE A 267 15.734 0.464 -2.476 1.00 7.10 C +ANISOU 2245 CB ILE A 267 720 845 1133 41 201 84 C +ATOM 2246 CG1 ILE A 267 15.293 0.538 -0.989 1.00 8.40 C +ANISOU 2246 CG1 ILE A 267 653 1302 1237 167 336 276 C +ATOM 2247 CG2 ILE A 267 14.787 -0.304 -3.377 1.00 9.33 C +ANISOU 2247 CG2 ILE A 267 780 1009 1758 46 20 -185 C +ATOM 2248 CD1 ILE A 267 14.630 1.822 -0.601 1.00 9.72 C +ANISOU 2248 CD1 ILE A 267 1180 1322 1191 -65 308 -275 C +ATOM 2249 N GLY A 268 18.911 0.136 -1.035 1.00 6.53 N +ANISOU 2249 N GLY A 268 740 1023 718 305 33 -215 N +ATOM 2250 CA GLY A 268 19.768 0.821 -0.090 1.00 6.60 C +ANISOU 2250 CA GLY A 268 409 1222 878 134 151 -180 C +ATOM 2251 C GLY A 268 19.060 1.129 1.207 1.00 5.72 C +ANISOU 2251 C GLY A 268 383 1009 782 101 32 -140 C +ATOM 2252 O GLY A 268 18.224 0.327 1.643 1.00 7.15 O +ANISOU 2252 O GLY A 268 703 1245 768 -98 164 -180 O +ATOM 2253 N PRO A 269 19.363 2.252 1.860 1.00 6.38 N +ANISOU 2253 N PRO A 269 521 1040 863 103 160 -158 N +ATOM 2254 CA PRO A 269 18.670 2.550 3.109 1.00 6.69 C +ANISOU 2254 CA PRO A 269 492 1162 887 125 172 -212 C +ATOM 2255 C PRO A 269 17.159 2.624 2.936 1.00 5.90 C +ANISOU 2255 C PRO A 269 526 908 808 54 145 -60 C +ATOM 2256 O PRO A 269 16.625 3.218 2.014 1.00 6.42 O +ANISOU 2256 O PRO A 269 657 824 960 68 43 18 O +ATOM 2257 CB PRO A 269 19.284 3.910 3.481 1.00 8.17 C +ANISOU 2257 CB PRO A 269 645 1259 1199 22 192 -456 C +ATOM 2258 CG PRO A 269 20.663 3.892 2.859 1.00 8.70 C +ANISOU 2258 CG PRO A 269 734 1327 1244 -105 286 -484 C +ATOM 2259 CD PRO A 269 20.401 3.274 1.512 1.00 6.90 C +ANISOU 2259 CD PRO A 269 445 1061 1115 35 204 -314 C +ATOM 2260 N GLY A 270 16.471 2.000 3.879 1.00 5.66 N +ANISOU 2260 N GLY A 270 499 1001 651 167 199 -191 N +ATOM 2261 CA GLY A 270 15.011 2.027 3.854 1.00 5.15 C +ANISOU 2261 CA GLY A 270 451 906 601 94 178 -150 C +ATOM 2262 C GLY A 270 14.438 1.363 5.082 1.00 5.24 C +ANISOU 2262 C GLY A 270 574 832 586 73 177 -138 C +ATOM 2263 O GLY A 270 15.061 0.482 5.662 1.00 7.16 O +ANISOU 2263 O GLY A 270 812 1033 874 187 31 -21 O +ATOM 2264 N LEU A 271 13.252 1.819 5.452 1.00 5.31 N +ANISOU 2264 N LEU A 271 557 698 764 -86 296 -126 N +ATOM 2265 CA LEU A 271 12.515 1.274 6.579 1.00 4.48 C +ANISOU 2265 CA LEU A 271 441 590 673 225 212 -144 C +ATOM 2266 C LEU A 271 11.221 0.685 6.026 1.00 4.02 C +ANISOU 2266 C LEU A 271 499 620 406 40 232 -8 C +ATOM 2267 O LEU A 271 11.274 -0.408 5.498 1.00 5.38 O +ANISOU 2267 O LEU A 271 671 609 765 120 75 -70 O +ATOM 2268 CB LEU A 271 12.354 2.341 7.662 1.00 4.57 C +ANISOU 2268 CB LEU A 271 541 513 683 150 159 -99 C +ATOM 2269 CG LEU A 271 13.621 2.581 8.489 1.00 6.76 C +ANISOU 2269 CG LEU A 271 850 711 1008 -5 -182 8 C +ATOM 2270 CD1 LEU A 271 13.591 3.960 9.133 1.00 8.40 C +ANISOU 2270 CD1 LEU A 271 900 900 1391 41 -180 -339 C +ATOM 2271 CD2 LEU A 271 13.794 1.515 9.550 1.00 8.97 C +ANISOU 2271 CD2 LEU A 271 1382 1079 945 379 -165 137 C +ATOM 2272 N HIS A 272 10.120 1.442 6.102 1.00 4.85 N +ANISOU 2272 N HIS A 272 502 788 555 119 109 -53 N +ATOM 2273 CA HIS A 272 8.848 0.904 5.571 1.00 4.55 C +ANISOU 2273 CA HIS A 272 543 609 575 79 169 -106 C +ATOM 2274 C HIS A 272 8.412 1.585 4.275 1.00 3.86 C +ANISOU 2274 C HIS A 272 213 474 779 91 145 -54 C +ATOM 2275 O HIS A 272 8.043 0.880 3.308 1.00 4.52 O +ANISOU 2275 O HIS A 272 615 504 598 29 101 -10 O +ATOM 2276 CB HIS A 272 7.736 0.992 6.601 1.00 4.66 C +ANISOU 2276 CB HIS A 272 519 501 751 129 216 -136 C +ATOM 2277 CG HIS A 272 6.443 0.422 6.084 1.00 4.72 C +ANISOU 2277 CG HIS A 272 555 589 647 13 196 -40 C +ATOM 2278 ND1 HIS A 272 6.270 -0.923 5.788 1.00 4.66 N +ANISOU 2278 ND1 HIS A 272 485 695 589 -11 197 -112 N +ATOM 2279 CD2 HIS A 272 5.268 1.032 5.820 1.00 5.60 C +ANISOU 2279 CD2 HIS A 272 545 796 785 63 180 18 C +ATOM 2280 CE1 HIS A 272 5.004 -1.063 5.349 1.00 5.54 C +ANISOU 2280 CE1 HIS A 272 598 766 740 4 32 -12 C +ATOM 2281 NE2 HIS A 272 4.365 0.108 5.355 1.00 6.06 N +ANISOU 2281 NE2 HIS A 272 508 897 899 140 161 -126 N +ATOM 2282 N TYR A 273 8.394 2.912 4.227 1.00 4.42 N +ANISOU 2282 N TYR A 273 609 484 585 26 238 -73 N +ATOM 2283 CA TYR A 273 7.904 3.654 3.051 1.00 4.27 C +ANISOU 2283 CA TYR A 273 474 475 673 91 29 -119 C +ATOM 2284 C TYR A 273 9.037 3.794 2.040 1.00 4.34 C +ANISOU 2284 C TYR A 273 526 565 560 129 35 -26 C +ATOM 2285 O TYR A 273 9.590 4.879 1.835 1.00 5.44 O +ANISOU 2285 O TYR A 273 718 670 677 39 169 37 O +ATOM 2286 CB TYR A 273 7.320 5.009 3.516 1.00 5.22 C +ANISOU 2286 CB TYR A 273 714 354 916 73 222 -130 C +ATOM 2287 CG TYR A 273 6.195 4.773 4.480 1.00 5.63 C +ANISOU 2287 CG TYR A 273 711 638 789 128 221 -23 C +ATOM 2288 CD1 TYR A 273 4.903 4.496 4.085 1.00 5.57 C +ANISOU 2288 CD1 TYR A 273 777 817 524 43 160 -176 C +ATOM 2289 CD2 TYR A 273 6.431 4.807 5.840 1.00 5.23 C +ANISOU 2289 CD2 TYR A 273 339 778 872 99 97 -87 C +ATOM 2290 CE1 TYR A 273 3.886 4.288 5.002 1.00 6.03 C +ANISOU 2290 CE1 TYR A 273 757 849 684 124 238 -96 C +ATOM 2291 CE2 TYR A 273 5.444 4.563 6.764 1.00 4.71 C +ANISOU 2291 CE2 TYR A 273 489 570 732 373 268 -225 C +ATOM 2292 CZ TYR A 273 4.176 4.299 6.335 1.00 4.97 C +ANISOU 2292 CZ TYR A 273 560 672 655 54 264 -198 C +ATOM 2293 OH TYR A 273 3.212 4.042 7.288 1.00 6.17 O +ANISOU 2293 OH TYR A 273 633 1017 695 99 261 -2 O +ATOM 2294 N LEU A 274 9.453 2.666 1.457 1.00 5.19 N +ANISOU 2294 N LEU A 274 582 694 697 20 192 -163 N +ATOM 2295 CA LEU A 274 10.638 2.663 0.581 1.00 4.78 C +ANISOU 2295 CA LEU A 274 563 721 532 83 70 -136 C +ATOM 2296 C LEU A 274 10.531 3.640 -0.570 1.00 4.49 C +ANISOU 2296 C LEU A 274 528 589 590 44 202 -200 C +ATOM 2297 O LEU A 274 11.556 4.147 -1.032 1.00 5.17 O +ANISOU 2297 O LEU A 274 470 754 742 -5 212 -94 O +ATOM 2298 CB LEU A 274 10.858 1.264 0.054 1.00 5.16 C +ANISOU 2298 CB LEU A 274 538 672 750 95 141 -82 C +ATOM 2299 CG LEU A 274 10.949 0.116 1.083 1.00 5.01 C +ANISOU 2299 CG LEU A 274 516 714 674 235 241 -90 C +ATOM 2300 CD1 LEU A 274 11.356 -1.154 0.347 1.00 5.50 C +ANISOU 2300 CD1 LEU A 274 605 519 966 -88 429 -119 C +ATOM 2301 CD2 LEU A 274 11.906 0.453 2.227 1.00 6.45 C +ANISOU 2301 CD2 LEU A 274 913 806 731 125 54 -3 C +ATOM 2302 N GLN A 275 9.300 3.890 -1.003 1.00 4.57 N +ANISOU 2302 N GLN A 275 473 582 680 110 202 -94 N +ATOM 2303 CA GLN A 275 9.087 4.830 -2.077 1.00 4.67 C +ANISOU 2303 CA GLN A 275 578 578 620 105 249 -143 C +ATOM 2304 C GLN A 275 9.557 6.249 -1.763 1.00 3.98 C +ANISOU 2304 C GLN A 275 362 521 630 325 -37 -15 C +ATOM 2305 O GLN A 275 9.763 7.013 -2.711 1.00 5.03 O +ANISOU 2305 O GLN A 275 718 603 591 117 56 37 O +ATOM 2306 CB GLN A 275 7.580 4.899 -2.395 1.00 5.23 C +ANISOU 2306 CB GLN A 275 594 575 818 43 117 58 C +ATOM 2307 CG GLN A 275 6.901 3.572 -2.652 1.00 5.68 C +ANISOU 2307 CG GLN A 275 673 682 805 -22 162 -39 C +ATOM 2308 CD GLN A 275 6.343 2.915 -1.417 1.00 5.28 C +ANISOU 2308 CD GLN A 275 626 571 809 -42 253 -158 C +ATOM 2309 OE1 GLN A 275 6.776 3.108 -0.294 1.00 5.92 O +ANISOU 2309 OE1 GLN A 275 568 905 778 -43 93 -12 O +ATOM 2310 NE2 GLN A 275 5.279 2.150 -1.640 1.00 8.38 N +ANISOU 2310 NE2 GLN A 275 1141 1239 804 -640 314 -287 N +ATOM 2311 N GLU A 276 9.672 6.569 -0.500 1.00 4.44 N +ANISOU 2311 N GLU A 276 581 493 614 4 106 -43 N +ATOM 2312 CA GLU A 276 10.119 7.925 -0.123 1.00 4.61 C +ANISOU 2312 CA GLU A 276 474 623 653 5 94 -91 C +ATOM 2313 C GLU A 276 11.627 7.976 -0.018 1.00 5.73 C +ANISOU 2313 C GLU A 276 484 663 1029 84 37 -251 C +ATOM 2314 O GLU A 276 12.185 9.087 -0.048 1.00 8.99 O +ANISOU 2314 O GLU A 276 594 658 2164 -87 140 -248 O +ATOM 2315 CB GLU A 276 9.438 8.383 1.140 1.00 4.95 C +ANISOU 2315 CB GLU A 276 658 573 651 147 116 -178 C +ATOM 2316 CG GLU A 276 7.954 8.644 1.032 1.00 4.72 C +ANISOU 2316 CG GLU A 276 543 752 499 -100 126 -107 C +ATOM 2317 CD GLU A 276 7.561 9.766 0.104 1.00 5.36 C +ANISOU 2317 CD GLU A 276 581 605 849 87 248 -77 C +ATOM 2318 OE1 GLU A 276 8.426 10.369 -0.560 1.00 5.69 O +ANISOU 2318 OE1 GLU A 276 701 677 783 5 230 22 O +ATOM 2319 OE2 GLU A 276 6.340 10.052 0.017 1.00 6.91 O +ANISOU 2319 OE2 GLU A 276 611 1137 876 119 180 58 O +ATOM 2320 N ASP A 277 12.311 6.846 0.107 1.00 4.75 N +ANISOU 2320 N ASP A 277 451 653 701 30 185 12 N +ATOM 2321 CA ASP A 277 13.761 6.841 0.169 1.00 5.01 C +ANISOU 2321 CA ASP A 277 446 582 876 105 305 -111 C +ATOM 2322 C ASP A 277 14.390 6.655 -1.215 1.00 5.16 C +ANISOU 2322 C ASP A 277 458 741 761 23 210 -142 C +ATOM 2323 O ASP A 277 15.393 7.305 -1.491 1.00 6.48 O +ANISOU 2323 O ASP A 277 590 1017 854 -153 310 -244 O +ATOM 2324 CB ASP A 277 14.217 5.771 1.150 1.00 5.71 C +ANISOU 2324 CB ASP A 277 510 882 777 59 171 -38 C +ATOM 2325 CG ASP A 277 14.163 6.275 2.571 1.00 6.61 C +ANISOU 2325 CG ASP A 277 559 1117 833 -64 236 -204 C +ATOM 2326 OD1 ASP A 277 14.766 7.355 2.825 1.00 6.95 O +ANISOU 2326 OD1 ASP A 277 849 919 872 -50 188 -107 O +ATOM 2327 OD2 ASP A 277 13.536 5.594 3.411 1.00 6.29 O +ANISOU 2327 OD2 ASP A 277 716 962 713 -36 119 -171 O +ATOM 2328 N ASN A 278 13.851 5.825 -2.088 1.00 5.34 N +ANISOU 2328 N ASN A 278 501 688 840 -23 218 -132 N +ATOM 2329 CA ASN A 278 14.453 5.625 -3.380 1.00 5.54 C +ANISOU 2329 CA ASN A 278 486 781 838 69 101 -254 C +ATOM 2330 C ASN A 278 13.418 5.393 -4.478 1.00 5.09 C +ANISOU 2330 C ASN A 278 393 710 829 2 173 -123 C +ATOM 2331 O ASN A 278 13.336 4.350 -5.101 1.00 5.12 O +ANISOU 2331 O ASN A 278 599 604 743 2 4 -101 O +ATOM 2332 CB ASN A 278 15.433 4.440 -3.342 1.00 5.55 C +ANISOU 2332 CB ASN A 278 454 838 817 70 121 -12 C +ATOM 2333 CG ASN A 278 16.403 4.450 -4.508 1.00 6.05 C +ANISOU 2333 CG ASN A 278 623 935 741 149 105 -275 C +ATOM 2334 OD1 ASN A 278 16.243 5.175 -5.490 1.00 6.76 O +ANISOU 2334 OD1 ASN A 278 766 1011 792 48 155 -84 O +ATOM 2335 ND2 ASN A 278 17.410 3.632 -4.370 1.00 6.12 N +ANISOU 2335 ND2 ASN A 278 638 875 812 79 345 -15 N +ATOM 2336 N PRO A 279 12.598 6.426 -4.758 1.00 5.33 N +ANISOU 2336 N PRO A 279 493 665 867 57 148 -139 N +ATOM 2337 CA PRO A 279 11.575 6.259 -5.791 1.00 5.22 C +ANISOU 2337 CA PRO A 279 451 654 880 23 176 -48 C +ATOM 2338 C PRO A 279 12.148 6.047 -7.181 1.00 5.85 C +ANISOU 2338 C PRO A 279 719 683 819 76 147 -8 C +ATOM 2339 O PRO A 279 11.562 5.350 -7.997 1.00 6.14 O +ANISOU 2339 O PRO A 279 853 621 861 54 160 -80 O +ATOM 2340 CB PRO A 279 10.829 7.583 -5.735 1.00 6.00 C +ANISOU 2340 CB PRO A 279 746 696 836 104 142 -18 C +ATOM 2341 CG PRO A 279 11.789 8.570 -5.146 1.00 6.06 C +ANISOU 2341 CG PRO A 279 755 629 920 9 174 54 C +ATOM 2342 CD PRO A 279 12.585 7.742 -4.160 1.00 5.47 C +ANISOU 2342 CD PRO A 279 831 622 623 -35 228 8 C +ATOM 2343 N ASP A 280 13.326 6.652 -7.501 1.00 5.78 N +ANISOU 2343 N ASP A 280 869 686 643 -17 241 24 N +ATOM 2344 CA ASP A 280 13.801 6.523 -8.873 1.00 6.20 C +ANISOU 2344 CA ASP A 280 964 728 664 27 197 3 C +ATOM 2345 C ASP A 280 14.237 5.102 -9.188 1.00 6.13 C +ANISOU 2345 C ASP A 280 748 770 810 64 226 -34 C +ATOM 2346 O ASP A 280 13.987 4.641 -10.287 1.00 6.58 O +ANISOU 2346 O ASP A 280 987 808 704 0 184 -19 O +ATOM 2347 CB ASP A 280 14.911 7.547 -9.165 1.00 9.32 C +ANISOU 2347 CB ASP A 280 1600 916 1024 -328 792 -225 C +ATOM 2348 CG ASP A 280 14.311 8.936 -9.390 1.00 15.35 C +ANISOU 2348 CG ASP A 280 3158 942 1734 -417 -557 563 C +ATOM 2349 OD1 ASP A 280 13.157 9.114 -9.876 1.00 14.97 O +ANISOU 2349 OD1 ASP A 280 3054 1078 1554 -87 -324 174 O +ATOM 2350 OD2 ASP A 280 15.090 9.882 -9.083 1.00 18.59 O +ANISOU 2350 OD2 ASP A 280 2929 966 3170 -293 -163 -66 O +ATOM 2351 N LEU A 281 14.891 4.387 -8.237 1.00 5.58 N +ANISOU 2351 N LEU A 281 688 746 687 44 207 -145 N +ATOM 2352 CA LEU A 281 15.284 3.029 -8.542 1.00 5.45 C +ANISOU 2352 CA LEU A 281 582 754 735 81 255 -130 C +ATOM 2353 C LEU A 281 14.021 2.128 -8.599 1.00 4.85 C +ANISOU 2353 C LEU A 281 559 690 593 108 134 -23 C +ATOM 2354 O LEU A 281 13.924 1.245 -9.432 1.00 5.44 O +ANISOU 2354 O LEU A 281 647 782 637 93 132 -99 O +ATOM 2355 CB LEU A 281 16.224 2.495 -7.498 1.00 6.66 C +ANISOU 2355 CB LEU A 281 698 854 978 -41 2 -82 C +ATOM 2356 CG LEU A 281 16.743 1.094 -7.779 1.00 6.63 C +ANISOU 2356 CG LEU A 281 446 884 1190 15 40 -73 C +ATOM 2357 CD1 LEU A 281 17.590 0.982 -9.052 1.00 9.10 C +ANISOU 2357 CD1 LEU A 281 751 1509 1197 51 107 -347 C +ATOM 2358 CD2 LEU A 281 17.584 0.633 -6.607 1.00 9.15 C +ANISOU 2358 CD2 LEU A 281 973 1206 1297 89 -87 207 C +ATOM 2359 N ILE A 282 13.060 2.361 -7.698 1.00 5.14 N +ANISOU 2359 N ILE A 282 590 771 592 8 178 -86 N +ATOM 2360 CA ILE A 282 11.829 1.567 -7.759 1.00 4.45 C +ANISOU 2360 CA ILE A 282 619 503 569 116 175 -153 C +ATOM 2361 C ILE A 282 11.156 1.766 -9.088 1.00 5.04 C +ANISOU 2361 C ILE A 282 711 570 634 10 113 -82 C +ATOM 2362 O ILE A 282 10.763 0.814 -9.759 1.00 4.94 O +ANISOU 2362 O ILE A 282 785 478 614 75 74 -32 O +ATOM 2363 CB ILE A 282 10.936 1.880 -6.544 1.00 4.95 C +ANISOU 2363 CB ILE A 282 587 684 611 91 230 -105 C +ATOM 2364 CG1 ILE A 282 11.617 1.409 -5.259 1.00 5.09 C +ANISOU 2364 CG1 ILE A 282 764 591 580 54 215 -183 C +ATOM 2365 CG2 ILE A 282 9.586 1.231 -6.707 1.00 5.00 C +ANISOU 2365 CG2 ILE A 282 705 543 652 44 172 -20 C +ATOM 2366 CD1 ILE A 282 11.000 2.043 -3.986 1.00 6.28 C +ANISOU 2366 CD1 ILE A 282 676 1130 579 162 302 -221 C +ATOM 2367 N GLY A 283 10.926 3.027 -9.505 1.00 4.91 N +ANISOU 2367 N GLY A 283 689 546 632 -54 160 -32 N +ATOM 2368 CA GLY A 283 10.270 3.267 -10.758 1.00 4.89 C +ANISOU 2368 CA GLY A 283 595 630 631 -32 130 -109 C +ATOM 2369 C GLY A 283 11.023 2.747 -11.957 1.00 4.92 C +ANISOU 2369 C GLY A 283 689 604 577 148 78 -1 C +ATOM 2370 O GLY A 283 10.448 2.147 -12.863 1.00 4.81 O +ANISOU 2370 O GLY A 283 669 505 655 148 178 -141 O +ATOM 2371 N SER A 284 12.337 3.009 -11.999 1.00 5.28 N +ANISOU 2371 N SER A 284 787 721 498 -75 219 -133 N +ATOM 2372 CA SER A 284 13.102 2.559 -13.173 1.00 5.88 C +ANISOU 2372 CA SER A 284 1010 657 565 53 372 30 C +ATOM 2373 C SER A 284 13.154 1.041 -13.269 1.00 5.42 C +ANISOU 2373 C SER A 284 791 681 588 179 95 -49 C +ATOM 2374 O SER A 284 13.072 0.498 -14.365 1.00 5.93 O +ANISOU 2374 O SER A 284 837 793 622 22 122 42 O +ATOM 2375 CB SER A 284 14.467 3.197 -13.170 1.00 7.41 C +ANISOU 2375 CB SER A 284 912 1076 828 -49 369 -298 C +ATOM 2376 OG SER A 284 15.248 2.713 -12.113 1.00 10.24 O +ANISOU 2376 OG SER A 284 1315 1349 1226 -271 36 154 O +ATOM 2377 N GLU A 285 13.255 0.335 -12.140 1.00 4.83 N +ANISOU 2377 N GLU A 285 665 526 643 46 249 -78 N +ATOM 2378 CA GLU A 285 13.292 -1.124 -12.182 1.00 5.24 C +ANISOU 2378 CA GLU A 285 764 598 628 -98 239 -80 C +ATOM 2379 C GLU A 285 11.926 -1.694 -12.531 1.00 4.64 C +ANISOU 2379 C GLU A 285 669 393 702 62 235 -13 C +ATOM 2380 O GLU A 285 11.827 -2.666 -13.280 1.00 5.37 O +ANISOU 2380 O GLU A 285 586 561 892 121 194 -183 O +ATOM 2381 CB GLU A 285 13.785 -1.660 -10.841 1.00 5.80 C +ANISOU 2381 CB GLU A 285 697 694 812 80 189 83 C +ATOM 2382 CG AGLU A 285 15.271 -1.468 -10.575 0.50 8.53 C +ANISOU 2382 CG AGLU A 285 742 1638 862 1 104 -470 C +ATOM 2383 CG BGLU A 285 15.293 -1.455 -10.672 0.50 6.13 C +ANISOU 2383 CG BGLU A 285 679 847 804 3 250 109 C +ATOM 2384 CD AGLU A 285 16.080 -2.611 -11.157 0.50 10.29 C +ANISOU 2384 CD AGLU A 285 728 1953 1231 276 347 -294 C +ATOM 2385 CD BGLU A 285 16.152 -2.171 -11.692 0.50 9.46 C +ANISOU 2385 CD BGLU A 285 779 1402 1411 173 338 -258 C +ATOM 2386 OE1AGLU A 285 17.253 -2.787 -10.798 0.50 14.69 O +ANISOU 2386 OE1AGLU A 285 1076 2451 2056 577 -266 -317 O +ATOM 2387 OE1BGLU A 285 16.948 -1.493 -12.389 0.50 12.01 O +ANISOU 2387 OE1BGLU A 285 1248 1770 1544 274 922 -263 O +ATOM 2388 OE2AGLU A 285 15.546 -3.353 -12.004 0.50 20.08 O +ANISOU 2388 OE2AGLU A 285 1201 2733 3695 1735 -930 -2107 O +ATOM 2389 OE2BGLU A 285 16.067 -3.412 -11.823 0.50 9.33 O +ANISOU 2389 OE2BGLU A 285 392 1427 1725 410 -5 -436 O +ATOM 2390 N ILE A 286 10.829 -1.109 -12.038 1.00 4.88 N +ANISOU 2390 N ILE A 286 708 482 663 232 144 -60 N +ATOM 2391 CA ILE A 286 9.519 -1.553 -12.521 1.00 4.45 C +ANISOU 2391 CA ILE A 286 723 246 721 223 94 -144 C +ATOM 2392 C ILE A 286 9.402 -1.359 -14.028 1.00 4.47 C +ANISOU 2392 C ILE A 286 544 385 768 199 88 -15 C +ATOM 2393 O ILE A 286 9.009 -2.258 -14.770 1.00 5.17 O +ANISOU 2393 O ILE A 286 655 472 838 36 136 -190 O +ATOM 2394 CB ILE A 286 8.373 -0.838 -11.797 1.00 4.97 C +ANISOU 2394 CB ILE A 286 681 463 742 271 67 -135 C +ATOM 2395 CG1 ILE A 286 8.333 -1.224 -10.322 1.00 4.88 C +ANISOU 2395 CG1 ILE A 286 341 680 834 -43 150 -50 C +ATOM 2396 CG2 ILE A 286 7.045 -1.143 -12.466 1.00 5.41 C +ANISOU 2396 CG2 ILE A 286 660 604 794 196 178 -65 C +ATOM 2397 CD1 ILE A 286 7.446 -0.371 -9.476 1.00 6.37 C +ANISOU 2397 CD1 ILE A 286 628 957 836 -74 116 -404 C +ATOM 2398 N ALA A 287 9.763 -0.186 -14.531 1.00 4.98 N +ANISOU 2398 N ALA A 287 754 387 750 99 50 -18 N +ATOM 2399 CA ALA A 287 9.647 0.069 -15.970 1.00 5.39 C +ANISOU 2399 CA ALA A 287 796 541 712 172 -62 25 C +ATOM 2400 C ALA A 287 10.449 -0.931 -16.791 1.00 5.33 C +ANISOU 2400 C ALA A 287 837 428 760 -1 34 23 C +ATOM 2401 O ALA A 287 9.962 -1.429 -17.815 1.00 6.63 O +ANISOU 2401 O ALA A 287 1083 743 694 216 -139 -51 O +ATOM 2402 CB ALA A 287 10.071 1.505 -16.267 1.00 6.46 C +ANISOU 2402 CB ALA A 287 1222 531 701 290 171 29 C +ATOM 2403 N ARG A 288 11.660 -1.238 -16.351 1.00 4.73 N +ANISOU 2403 N ARG A 288 671 594 533 47 241 -67 N +ATOM 2404 CA ARG A 288 12.497 -2.128 -17.094 1.00 5.77 C +ANISOU 2404 CA ARG A 288 931 533 729 33 377 -147 C +ATOM 2405 C ARG A 288 11.944 -3.550 -17.097 1.00 5.22 C +ANISOU 2405 C ARG A 288 640 601 743 -35 227 -80 C +ATOM 2406 O ARG A 288 12.159 -4.304 -18.057 1.00 6.08 O +ANISOU 2406 O ARG A 288 778 607 926 -18 322 -178 O +ATOM 2407 CB ARG A 288 13.902 -2.133 -16.486 1.00 10.45 C +ANISOU 2407 CB ARG A 288 515 802 2652 -108 509 -758 C +ATOM 2408 CG AARG A 288 14.890 -2.836 -17.427 0.60 16.29 C +ANISOU 2408 CG AARG A 288 1179 890 4119 31 1100 -1340 C +ATOM 2409 CG BARG A 288 14.793 -1.105 -17.182 0.40 21.65 C +ANISOU 2409 CG BARG A 288 2043 2596 3586 -1639 574 -310 C +ATOM 2410 CD AARG A 288 16.285 -2.365 -17.069 0.60 30.02 C +ANISOU 2410 CD AARG A 288 682 4461 6264 939 703 -3752 C +ATOM 2411 CD BARG A 288 15.926 -0.589 -16.334 0.40 31.39 C +ANISOU 2411 CD BARG A 288 3578 4355 3995 -3376 819 -1570 C +ATOM 2412 NE AARG A 288 16.540 -2.818 -15.687 0.60 38.36 N +ANISOU 2412 NE AARG A 288 1988 6180 6407 1412 -468 -3935 N +ATOM 2413 NE BARG A 288 16.028 0.882 -16.380 0.40 34.58 N +ANISOU 2413 NE BARG A 288 4754 4175 4211 -2719 1528 -2598 N +ATOM 2414 CZ AARG A 288 17.780 -2.993 -15.254 0.60 44.38 C +ANISOU 2414 CZ AARG A 288 1836 8548 6479 782 -726 -4891 C +ATOM 2415 CZ BARG A 288 17.098 1.479 -15.883 0.40 26.99 C +ANISOU 2415 CZ BARG A 288 3106 2868 4280 -2074 2758 -2265 C +ATOM 2416 NH1AARG A 288 18.755 -2.744 -16.115 0.60 46.14 N +ANISOU 2416 NH1AARG A 288 2024 7305 8203 -1032 -689 -3966 N +ATOM 2417 NH1BARG A 288 18.034 0.687 -15.368 0.40 41.21 N +ANISOU 2417 NH1BARG A 288 5100 4355 6205 -54 1072 -4004 N +ATOM 2418 NH2AARG A 288 18.000 -3.398 -14.025 0.60 47.30 N +ANISOU 2418 NH2AARG A 288 1891 10777 5306 3505 -453 -6685 N +ATOM 2419 NH2BARG A 288 17.274 2.791 -15.883 0.40 33.87 N +ANISOU 2419 NH2BARG A 288 6021 3100 3749 -3038 3027 -1626 N +ATOM 2420 N TRP A 289 11.245 -3.950 -16.059 1.00 5.65 N +ANISOU 2420 N TRP A 289 875 459 814 31 298 -82 N +ATOM 2421 CA TRP A 289 10.692 -5.298 -15.863 1.00 5.17 C +ANISOU 2421 CA TRP A 289 574 502 887 54 325 -50 C +ATOM 2422 C TRP A 289 9.392 -5.538 -16.615 1.00 4.84 C +ANISOU 2422 C TRP A 289 687 535 618 107 313 -180 C +ATOM 2423 O TRP A 289 9.024 -6.682 -16.900 1.00 6.51 O +ANISOU 2423 O TRP A 289 899 565 1011 -28 13 13 O +ATOM 2424 CB TRP A 289 10.515 -5.501 -14.377 1.00 5.94 C +ANISOU 2424 CB TRP A 289 701 683 873 -86 52 69 C +ATOM 2425 CG TRP A 289 9.749 -6.631 -13.757 1.00 5.03 C +ANISOU 2425 CG TRP A 289 653 479 777 116 184 -49 C +ATOM 2426 CD1 TRP A 289 10.113 -7.929 -13.566 1.00 5.78 C +ANISOU 2426 CD1 TRP A 289 885 505 806 6 249 -50 C +ATOM 2427 CD2 TRP A 289 8.421 -6.488 -13.199 1.00 5.08 C +ANISOU 2427 CD2 TRP A 289 634 689 609 -9 99 -95 C +ATOM 2428 NE1 TRP A 289 9.099 -8.605 -12.933 1.00 5.73 N +ANISOU 2428 NE1 TRP A 289 795 587 794 33 257 -31 N +ATOM 2429 CE2 TRP A 289 8.050 -7.748 -12.693 1.00 5.74 C +ANISOU 2429 CE2 TRP A 289 721 687 772 26 176 -51 C +ATOM 2430 CE3 TRP A 289 7.544 -5.421 -13.092 1.00 5.83 C +ANISOU 2430 CE3 TRP A 289 699 826 688 106 238 60 C +ATOM 2431 CZ2 TRP A 289 6.830 -7.960 -12.089 1.00 6.08 C +ANISOU 2431 CZ2 TRP A 289 798 785 727 -23 230 -67 C +ATOM 2432 CZ3 TRP A 289 6.316 -5.624 -12.478 1.00 6.07 C +ANISOU 2432 CZ3 TRP A 289 543 859 905 42 72 15 C +ATOM 2433 CH2 TRP A 289 5.991 -6.887 -11.988 1.00 5.82 C +ANISOU 2433 CH2 TRP A 289 718 835 657 -30 237 -92 C +ATOM 2434 N LEU A 290 8.639 -4.480 -16.942 1.00 4.78 N +ANISOU 2434 N LEU A 290 612 572 632 27 260 -97 N +ATOM 2435 CA LEU A 290 7.346 -4.719 -17.541 1.00 4.46 C +ANISOU 2435 CA LEU A 290 530 510 657 41 362 -90 C +ATOM 2436 C LEU A 290 7.356 -5.400 -18.899 1.00 5.42 C +ANISOU 2436 C LEU A 290 538 850 671 34 231 -180 C +ATOM 2437 O LEU A 290 6.445 -6.235 -19.138 1.00 5.62 O +ANISOU 2437 O LEU A 290 553 810 772 46 182 -195 O +ATOM 2438 CB LEU A 290 6.585 -3.390 -17.627 1.00 5.28 C +ANISOU 2438 CB LEU A 290 591 700 717 101 299 -86 C +ATOM 2439 CG LEU A 290 6.175 -2.784 -16.300 1.00 5.05 C +ANISOU 2439 CG LEU A 290 619 606 693 256 154 -183 C +ATOM 2440 CD1 LEU A 290 5.732 -1.355 -16.506 1.00 6.30 C +ANISOU 2440 CD1 LEU A 290 978 507 908 70 155 -147 C +ATOM 2441 CD2 LEU A 290 5.090 -3.587 -15.610 1.00 7.08 C +ANISOU 2441 CD2 LEU A 290 1402 522 765 281 677 -146 C +ATOM 2442 N PRO A 291 8.227 -5.086 -19.839 1.00 5.54 N +ANISOU 2442 N PRO A 291 772 566 766 22 363 -168 N +ATOM 2443 CA PRO A 291 8.003 -5.629 -21.189 1.00 5.42 C +ANISOU 2443 CA PRO A 291 776 614 669 120 268 -101 C +ATOM 2444 C PRO A 291 7.964 -7.147 -21.294 1.00 5.35 C +ANISOU 2444 C PRO A 291 649 608 775 34 236 -119 C +ATOM 2445 O PRO A 291 7.148 -7.673 -22.038 1.00 6.05 O +ANISOU 2445 O PRO A 291 789 753 757 22 155 -91 O +ATOM 2446 CB PRO A 291 9.162 -5.039 -21.996 1.00 6.79 C +ANISOU 2446 CB PRO A 291 1074 765 740 -54 331 62 C +ATOM 2447 CG PRO A 291 9.428 -3.739 -21.302 1.00 6.62 C +ANISOU 2447 CG PRO A 291 862 891 764 -88 373 -104 C +ATOM 2448 CD PRO A 291 9.313 -4.109 -19.820 1.00 6.28 C +ANISOU 2448 CD PRO A 291 1090 402 894 -139 313 -2 C +ATOM 2449 N ALA A 292 8.811 -7.858 -20.568 1.00 5.28 N +ANISOU 2449 N ALA A 292 664 657 687 120 260 -180 N +ATOM 2450 CA ALA A 292 8.866 -9.317 -20.688 1.00 5.99 C +ANISOU 2450 CA ALA A 292 905 642 729 133 248 -87 C +ATOM 2451 C ALA A 292 7.643 -9.952 -20.044 1.00 5.88 C +ANISOU 2451 C ALA A 292 773 574 886 191 250 -164 C +ATOM 2452 O ALA A 292 7.445 -11.156 -20.238 1.00 6.73 O +ANISOU 2452 O ALA A 292 909 627 1019 199 469 -190 O +ATOM 2453 CB ALA A 292 10.156 -9.881 -20.111 1.00 7.46 C +ANISOU 2453 CB ALA A 292 837 649 1347 150 168 -140 C +ATOM 2454 N LEU A 293 6.791 -9.221 -19.329 1.00 4.97 N +ANISOU 2454 N LEU A 293 690 417 782 117 223 -85 N +ATOM 2455 CA LEU A 293 5.547 -9.754 -18.803 1.00 6.34 C +ANISOU 2455 CA LEU A 293 725 691 994 87 298 -105 C +ATOM 2456 C LEU A 293 4.455 -9.823 -19.848 1.00 6.68 C +ANISOU 2456 C LEU A 293 726 841 972 50 302 -248 C +ATOM 2457 O LEU A 293 3.423 -10.465 -19.642 1.00 7.61 O +ANISOU 2457 O LEU A 293 768 1107 1017 -68 330 -194 O +ATOM 2458 CB LEU A 293 4.995 -8.853 -17.668 1.00 7.01 C +ANISOU 2458 CB LEU A 293 766 1130 767 199 319 -98 C +ATOM 2459 CG LEU A 293 5.959 -8.448 -16.546 1.00 7.11 C +ANISOU 2459 CG LEU A 293 948 778 975 231 153 -94 C +ATOM 2460 CD1 LEU A 293 5.245 -7.544 -15.535 1.00 7.32 C +ANISOU 2460 CD1 LEU A 293 948 1039 793 189 287 -45 C +ATOM 2461 CD2 LEU A 293 6.566 -9.654 -15.869 1.00 8.00 C +ANISOU 2461 CD2 LEU A 293 1138 955 946 199 321 281 C +ATOM 2462 N HIS A 294 4.626 -9.120 -20.953 1.00 6.48 N +ANISOU 2462 N HIS A 294 717 823 922 104 260 -268 N +ATOM 2463 CA HIS A 294 3.503 -8.994 -21.869 1.00 7.22 C +ANISOU 2463 CA HIS A 294 699 1067 979 147 265 -244 C +ATOM 2464 C HIS A 294 3.024 -10.291 -22.491 1.00 8.37 C +ANISOU 2464 C HIS A 294 810 1421 950 -51 177 -401 C +ATOM 2465 O HIS A 294 1.815 -10.553 -22.574 1.00 9.49 O +ANISOU 2465 O HIS A 294 831 1333 1442 -152 157 -142 O +ATOM 2466 CB HIS A 294 3.898 -8.036 -23.000 1.00 8.26 C +ANISOU 2466 CB HIS A 294 720 1255 1162 338 270 -31 C +ATOM 2467 CG HIS A 294 2.776 -7.898 -23.990 1.00 10.14 C +ANISOU 2467 CG HIS A 294 1016 1585 1251 156 97 97 C +ATOM 2468 ND1 HIS A 294 2.702 -8.450 -25.251 1.00 14.09 N +ANISOU 2468 ND1 HIS A 294 1508 2275 1569 -255 -174 -317 N +ATOM 2469 CD2 HIS A 294 1.606 -7.205 -23.791 1.00 10.42 C +ANISOU 2469 CD2 HIS A 294 751 1456 1753 42 -145 388 C +ATOM 2470 CE1 HIS A 294 1.537 -8.101 -25.808 1.00 15.56 C +ANISOU 2470 CE1 HIS A 294 1431 2867 1617 -663 -254 273 C +ATOM 2471 NE2 HIS A 294 0.889 -7.357 -24.941 1.00 17.49 N +ANISOU 2471 NE2 HIS A 294 1507 2892 2244 212 -723 185 N +ATOM 2472 N HIS A 295 3.968 -11.056 -23.006 1.00 8.29 N +ANISOU 2472 N HIS A 295 941 1100 1110 131 17 -313 N +ATOM 2473 CA HIS A 295 3.586 -12.202 -23.832 1.00 7.61 C +ANISOU 2473 CA HIS A 295 774 1043 1075 -48 177 -197 C +ATOM 2474 C HIS A 295 2.802 -13.205 -23.013 1.00 10.19 C +ANISOU 2474 C HIS A 295 1128 1518 1227 -300 360 -111 C +ATOM 2475 O HIS A 295 3.183 -13.496 -21.893 1.00 11.47 O +ANISOU 2475 O HIS A 295 1757 1313 1288 -263 331 8 O +ATOM 2476 CB HIS A 295 4.851 -12.834 -24.418 1.00 7.45 C +ANISOU 2476 CB HIS A 295 920 839 1070 46 260 41 C +ATOM 2477 CG HIS A 295 4.484 -13.916 -25.369 1.00 7.65 C +ANISOU 2477 CG HIS A 295 773 1113 1020 51 437 -50 C +ATOM 2478 ND1 HIS A 295 3.880 -13.637 -26.572 1.00 11.45 N +ANISOU 2478 ND1 HIS A 295 1446 2021 885 84 325 -97 N +ATOM 2479 CD2 HIS A 295 4.608 -15.263 -25.292 1.00 9.84 C +ANISOU 2479 CD2 HIS A 295 1439 1054 1247 -155 604 -318 C +ATOM 2480 CE1 HIS A 295 3.655 -14.788 -27.193 1.00 14.03 C +ANISOU 2480 CE1 HIS A 295 1259 2554 1517 59 140 -697 C +ATOM 2481 NE2 HIS A 295 4.081 -15.780 -26.452 1.00 12.95 N +ANISOU 2481 NE2 HIS A 295 1590 1830 1499 -663 556 -544 N +ATOM 2482 N HIS A 296 1.746 -13.750 -23.635 1.00 13.40 N +ANISOU 2482 N HIS A 296 1631 1760 1701 -820 304 -362 N +ATOM 2483 CA HIS A 296 1.000 -14.809 -22.963 1.00 22.60 C +ANISOU 2483 CA HIS A 296 2835 2481 3271 -1704 1581 -719 C +ATOM 2484 C HIS A 296 1.442 -16.201 -23.432 1.00 29.20 C +ANISOU 2484 C HIS A 296 5193 2062 3840 -2407 2346 -975 C +ATOM 2485 O HIS A 296 1.093 -16.447 -24.810 1.00 37.86 O +ANISOU 2485 O HIS A 296 3773 6011 4602 -1893 2111 -2986 O +ATOM 2486 CB HIS A 296 -0.505 -14.618 -23.181 1.00 35.20 C +ANISOU 2486 CB HIS A 296 2514 6170 4689 -2376 1780 -1543 C +ATOM 2487 CG HIS A 296 -1.313 -15.695 -22.529 1.00 52.56 C +ANISOU 2487 CG HIS A 296 4997 9110 5862 -5650 2858 -2429 C +ATOM 2488 ND1 HIS A 296 -1.573 -16.934 -23.107 1.00 53.26 N +ANISOU 2488 ND1 HIS A 296 6738 7718 5780 -4937 2616 -1260 N +ATOM 2489 CD2 HIS A 296 -1.935 -15.697 -21.323 1.00 59.03 C +ANISOU 2489 CD2 HIS A 296 6140 10211 6078 -6160 3378 -2366 C +ATOM 2490 CE1 HIS A 296 -2.318 -17.649 -22.278 1.00 57.33 C +ANISOU 2490 CE1 HIS A 296 6569 8807 6408 -5465 2814 -1198 C +ATOM 2491 NE2 HIS A 296 -2.542 -16.918 -21.194 1.00 60.72 N +ANISOU 2491 NE2 HIS A 296 5793 10307 6970 -6078 3571 -2004 N +TER 2492 HIS A 296 +HETATM 2493 C1 IPA A1001 2.402 0.721 8.347 1.00 12.83 C +ANISOU 2493 C1 IPA A1001 2287 908 1679 255 155 -58 C +HETATM 2494 C2 IPA A1001 2.327 -0.578 9.070 1.00 10.19 C +ANISOU 2494 C2 IPA A1001 1546 964 1362 276 273 -113 C +HETATM 2495 C3 IPA A1001 3.747 -1.226 8.974 1.00 12.17 C +ANISOU 2495 C3 IPA A1001 1625 1106 1893 386 389 -202 C +HETATM 2496 O2 IPA A1001 1.335 -1.417 8.395 1.00 11.95 O +ANISOU 2496 O2 IPA A1001 1629 1298 1614 -56 471 -101 O +HETATM 2497 C ACT A1002 2.272 -5.671 -20.519 1.00 8.59 C +ANISOU 2497 C ACT A1002 756 1165 1343 186 171 -78 C +HETATM 2498 O ACT A1002 2.746 -4.745 -21.248 1.00 10.50 O +ANISOU 2498 O ACT A1002 1457 941 1589 86 182 14 O +HETATM 2499 OXT ACT A1002 1.475 -6.470 -21.025 1.00 10.58 O +ANISOU 2499 OXT ACT A1002 1037 1387 1596 -54 76 -95 O +HETATM 2500 CH3 ACT A1002 2.798 -5.859 -19.093 1.00 9.76 C +ANISOU 2500 CH3 ACT A1002 1358 1094 1257 458 102 -241 C +HETATM 2501 C ACT A1003 6.776 -22.150 -10.757 1.00 16.71 C +ANISOU 2501 C ACT A1003 2595 1357 2397 338 -331 559 C +HETATM 2502 O ACT A1003 6.829 -22.249 -12.340 1.00 20.09 O +ANISOU 2502 O ACT A1003 3632 1627 2373 134 -545 477 O +HETATM 2503 OXT ACT A1003 8.178 -22.374 -10.726 1.00 18.87 O +ANISOU 2503 OXT ACT A1003 2669 2291 2209 613 -50 -146 O +HETATM 2504 CH3 ACT A1003 5.683 -22.114 -9.906 1.00 20.98 C +ANISOU 2504 CH3 ACT A1003 2909 1554 3510 520 324 -1153 C +HETATM 2505 CL CL A1004 -1.178 -0.479 9.734 1.00 8.33 CL +ANISOU 2505 CL CL A1004 1115 938 1112 186 252 -109 CL +HETATM 2506 O HOH A2001 -2.261 10.576 3.769 1.00 5.20 O +HETATM 2507 O HOH A2002 12.252 -4.079 3.065 1.00 5.89 O +HETATM 2508 O HOH A2003 10.452 -5.181 1.153 1.00 5.83 O +HETATM 2509 O HOH A2004 -2.835 9.180 12.834 1.00 5.68 O +HETATM 2510 O HOH A2005 8.818 9.560 -3.270 1.00 5.15 O +HETATM 2511 O HOH A2006 -1.540 16.473 12.562 1.00 8.38 O +HETATM 2512 O HOH A2007 1.667 2.855 2.159 1.00 6.30 O +HETATM 2513 O HOH A2008 -3.616 15.340 9.371 1.00 7.13 O +HETATM 2514 O HOH A2009 11.179 5.326 -17.863 1.00 8.73 O +HETATM 2515 O HOH A2010 6.863 8.407 -5.032 1.00 6.06 O +HETATM 2516 O HOH A2011 -10.450 0.791 -0.376 1.00 7.04 O +HETATM 2517 O HOH A2012 10.216 -11.207 -12.102 1.00 7.44 O +HETATM 2518 O HOH A2013 -4.522 9.259 2.754 1.00 5.71 O +HETATM 2519 O HOH A2014 12.959 -3.269 -20.552 1.00 8.44 O +HETATM 2520 O HOH A2015 -2.451 4.096 -4.949 1.00 7.95 O +HETATM 2521 O HOH A2016 -2.546 19.410 4.858 1.00 8.95 O +HETATM 2522 O HOH A2017 8.236 -0.684 -19.773 1.00 7.92 O +HETATM 2523 O HOH A2018 12.992 4.825 -15.846 1.00 10.74 O +HETATM 2524 O HOH A2019 6.675 -10.212 -23.232 1.00 7.30 O +HETATM 2525 O HOH A2020 -3.192 17.793 10.791 1.00 9.27 O +HETATM 2526 O HOH A2021 8.105 3.322 -19.091 1.00 7.66 O +HETATM 2527 O HOH A2022 8.008 10.669 -17.288 1.00 8.45 O +HETATM 2528 O HOH A2023 -8.844 1.048 7.294 1.00 5.91 O +HETATM 2529 O HOH A2024 -22.860 3.817 -6.242 1.00 10.08 O +HETATM 2530 O HOH A2025 4.387 -8.505 7.030 1.00 10.26 O +HETATM 2531 O HOH A2026 -1.404 20.488 7.067 1.00 9.66 O +HETATM 2532 O HOH A2027 -13.061 0.899 13.162 1.00 9.56 O +HETATM 2533 O HOH A2028 -0.318 -13.915 13.173 1.00 7.84 O +HETATM 2534 O HOH A2029 17.582 4.200 -0.360 1.00 6.79 O +HETATM 2535 O HOH A2030 -4.272 11.335 -13.284 1.00 7.01 O +HETATM 2536 O HOH A2031 11.761 3.743 3.983 1.00 7.37 O +HETATM 2537 O HOH A2032 6.150 -2.702 -23.197 1.00 13.57 O +HETATM 2538 O HOH A2033 10.088 -13.451 -13.850 1.00 10.34 O +HETATM 2539 O HOH A2034 -3.256 0.489 -21.294 1.00 8.11 O +HETATM 2540 O HOH A2035 -2.319 -6.567 19.878 1.00 10.79 O +HETATM 2541 O HOH A2036 3.469 4.670 -24.940 1.00 11.61 O +HETATM 2542 O HOH A2037 -13.939 8.145 13.621 0.70 4.76 O +HETATM 2543 O HOH A2038 1.112 -0.312 -22.559 1.00 9.11 O +HETATM 2544 O HOH A2039 -10.158 15.304 7.426 1.00 9.81 O +HETATM 2545 O HOH A2040 -12.505 -6.673 -9.110 1.00 9.15 O +HETATM 2546 O HOH A2041 -9.455 6.411 23.868 1.00 11.69 O +HETATM 2547 O HOH A2042 -13.706 -8.687 11.332 1.00 13.25 O +HETATM 2548 O HOH A2043 -9.347 -5.288 13.738 1.00 8.74 O +HETATM 2549 O HOH A2044 2.125 1.647 4.498 1.00 6.84 O +HETATM 2550 O HOH A2045 10.186 -7.891 10.389 1.00 9.92 O +HETATM 2551 O HOH A2046 -12.969 15.854 14.413 1.00 9.02 O +HETATM 2552 O HOH A2047 -8.538 -7.752 -2.310 1.00 7.26 O +HETATM 2553 O HOH A2048 -17.309 -5.230 -4.143 1.00 9.88 O +HETATM 2554 O HOH A2049 3.386 -13.272 20.320 1.00 9.31 O +HETATM 2555 O HOH A2050 -2.894 13.521 -14.966 1.00 13.47 O +HETATM 2556 O HOH A2051 0.622 -17.089 15.057 1.00 12.14 O +HETATM 2557 O HOH A2052 0.830 -3.154 -22.330 1.00 11.33 O +HETATM 2558 O HOH A2053 -11.049 -8.413 11.706 1.00 10.37 O +HETATM 2559 O HOH A2054 -5.347 14.323 -8.298 1.00 10.28 O +HETATM 2560 O HOH A2055 -15.515 6.160 10.109 1.00 9.64 O +HETATM 2561 O HOH A2056 2.101 22.740 2.141 1.00 10.99 O +HETATM 2562 O HOH A2057 -0.831 -11.376 22.014 1.00 11.98 O +HETATM 2563 O HOH A2058 0.372 -16.386 12.313 1.00 12.58 O +HETATM 2564 O HOH A2059 6.678 -9.084 8.548 1.00 10.49 O +HETATM 2565 O HOH A2060 -0.696 -0.148 -20.464 1.00 7.98 O +HETATM 2566 O HOH A2061 17.226 7.994 2.023 1.00 10.27 O +HETATM 2567 O HOH A2062 -23.773 6.550 0.309 1.00 9.94 O +HETATM 2568 O HOH A2063 -4.637 19.802 -15.747 1.00 13.67 O +HETATM 2569 O HOH A2064 -8.184 10.017 24.469 1.00 12.97 O +HETATM 2570 O HOH A2065 -21.508 6.825 5.792 1.00 11.32 O +HETATM 2571 O HOH A2066 -8.470 -2.321 19.627 1.00 15.88 O +HETATM 2572 O HOH A2067 -6.483 6.321 26.405 1.00 11.02 O +HETATM 2573 O HOH A2068 7.623 -8.224 11.101 1.00 11.65 O +HETATM 2574 O HOH A2069 -10.232 11.025 2.152 1.00 11.18 O +HETATM 2575 O HOH A2070 -8.473 -2.646 23.831 1.00 13.24 O +HETATM 2576 O HOH A2071 2.240 8.553 -20.742 1.00 10.96 O +HETATM 2577 O HOH A2072 -2.077 11.666 1.114 1.00 13.33 O +HETATM 2578 O HOH A2073 21.796 -5.168 4.346 1.00 14.20 O +HETATM 2579 O HOH A2074 -10.735 9.756 22.806 1.00 10.19 O +HETATM 2580 O HOH A2075 -20.362 0.304 2.357 1.00 12.88 O +HETATM 2581 O HOH A2076 5.469 13.372 -10.163 1.00 15.71 O +HETATM 2582 O AHOH A2077 -11.122 9.620 6.230 0.70 6.49 O +HETATM 2583 O BHOH A2077 -11.692 8.309 6.707 0.30 7.57 O +HETATM 2584 O HOH A2078 -10.128 -5.815 -3.454 1.00 8.72 O +HETATM 2585 O HOH A2079 -11.745 -7.463 7.802 1.00 9.49 O +HETATM 2586 O HOH A2080 -6.421 -14.580 0.486 1.00 8.44 O +HETATM 2587 O HOH A2081 4.850 -15.275 21.624 1.00 11.15 O +HETATM 2588 O HOH A2082 2.003 20.524 0.588 1.00 11.66 O +HETATM 2589 O HOH A2083 6.484 -11.891 8.837 1.00 12.03 O +HETATM 2590 O HOH A2084 8.867 21.368 -2.102 1.00 18.19 O +HETATM 2591 O HOH A2085 -8.982 17.915 3.977 1.00 13.25 O +HETATM 2592 O HOH A2086 11.742 -19.653 -9.861 1.00 9.84 O +HETATM 2593 O HOH A2087 6.605 14.759 -7.632 1.00 10.63 O +HETATM 2594 O HOH A2088 -7.023 -4.517 -18.249 1.00 12.56 O +HETATM 2595 O HOH A2089 11.613 15.590 -1.240 1.00 10.22 O +HETATM 2596 O HOH A2090 -9.188 15.918 -14.042 1.00 13.19 O +HETATM 2597 O HOH A2091 -4.318 8.162 -22.434 1.00 14.62 O +HETATM 2598 O HOH A2092 -9.531 -12.893 16.260 1.00 18.99 O +HETATM 2599 O HOH A2093 11.384 -20.441 -12.493 1.00 13.98 O +HETATM 2600 O HOH A2094 13.229 -2.801 11.480 1.00 13.24 O +HETATM 2601 O HOH A2095 8.020 -20.776 -14.291 1.00 14.49 O +HETATM 2602 O HOH A2096 -14.311 -7.908 8.743 1.00 11.94 O +HETATM 2603 O HOH A2097 18.517 -15.081 4.308 1.00 14.39 O +HETATM 2604 O HOH A2098 15.180 8.233 -5.857 1.00 11.40 O +HETATM 2605 O HOH A2099 9.750 -10.564 8.398 1.00 14.51 O +HETATM 2606 O HOH A2100 19.515 -5.814 -5.980 1.00 12.25 O +HETATM 2607 O HOH A2101 5.517 -13.209 -20.487 1.00 9.78 O +HETATM 2608 O HOH A2102 -4.840 13.285 -0.568 1.00 17.64 O +HETATM 2609 O HOH A2103 4.756 -0.275 -24.032 1.00 14.79 O +HETATM 2610 O HOH A2104 -21.727 2.829 -8.589 1.00 12.92 O +HETATM 2611 O HOH A2105 -11.569 -12.825 13.230 1.00 14.61 O +HETATM 2612 O HOH A2106 -10.441 -15.344 6.695 1.00 16.92 O +HETATM 2613 O HOH A2107 -3.607 17.011 -8.380 1.00 15.29 O +HETATM 2614 O HOH A2108 12.142 -8.060 12.227 1.00 13.83 O +HETATM 2615 O HOH A2109 -4.386 11.592 -2.646 1.00 13.08 O +HETATM 2616 O HOH A2110 16.785 9.434 -0.381 1.00 12.41 O +HETATM 2617 O HOH A2111 9.337 -1.583 21.414 1.00 13.53 O +HETATM 2618 O HOH A2112 11.809 -8.905 14.882 1.00 13.40 O +HETATM 2619 O HOH A2113 -13.242 5.293 21.754 1.00 12.57 O +HETATM 2620 O HOH A2114 -5.428 18.579 12.120 1.00 15.11 O +HETATM 2621 O HOH A2115 11.318 10.998 7.717 1.00 12.28 O +HETATM 2622 O HOH A2116 -1.856 15.336 -2.819 1.00 17.74 O +HETATM 2623 O HOH A2117 0.816 -19.387 4.146 1.00 17.45 O +HETATM 2624 O HOH A2118 -13.996 -8.782 -8.417 1.00 15.56 O +HETATM 2625 O HOH A2119 -1.773 -9.347 18.823 1.00 13.03 O +HETATM 2626 O HOH A2120 -12.416 3.424 23.757 1.00 14.89 O +HETATM 2627 O AHOH A2121 -6.350 -5.457 20.483 0.50 6.02 O +HETATM 2628 O BHOH A2121 -8.076 -4.268 21.437 0.50 9.73 O +HETATM 2629 O HOH A2122 -17.116 -5.719 -6.980 1.00 13.47 O +HETATM 2630 O HOH A2123 -18.035 -2.005 -9.931 1.00 12.49 O +HETATM 2631 O HOH A2124 5.493 20.771 -4.440 1.00 11.99 O +HETATM 2632 O HOH A2125 10.574 21.106 5.429 1.00 15.24 O +HETATM 2633 O HOH A2126 8.967 -23.075 -8.481 1.00 12.70 O +HETATM 2634 O HOH A2127 9.704 19.084 -5.583 1.00 17.45 O +HETATM 2635 O HOH A2128 13.788 1.977 -16.560 1.00 13.25 O +HETATM 2636 O HOH A2129 19.673 -2.239 1.654 1.00 14.30 O +HETATM 2637 O HOH A2130 -10.333 6.808 -16.090 1.00 11.97 O +HETATM 2638 O HOH A2131 6.448 -19.631 -15.952 1.00 21.62 O +HETATM 2639 O HOH A2132 -4.383 0.129 26.715 1.00 15.36 O +HETATM 2640 O HOH A2133 -1.999 -4.815 21.956 1.00 17.08 O +HETATM 2641 O HOH A2134 -5.789 -0.048 -19.966 1.00 12.84 O +HETATM 2642 O HOH A2135 -2.965 17.059 -4.851 1.00 16.38 O +HETATM 2643 O HOH A2136 4.973 -15.303 7.881 1.00 15.02 O +HETATM 2644 O HOH A2137 0.440 0.529 -25.077 1.00 17.93 O +HETATM 2645 O HOH A2138 13.431 -7.062 16.186 1.00 15.84 O +HETATM 2646 O HOH A2139 9.966 -11.367 11.185 1.00 15.47 O +HETATM 2647 O HOH A2140 1.025 10.908 19.669 1.00 22.89 O +HETATM 2648 O HOH A2141 3.115 -12.307 -17.317 1.00 15.51 O +HETATM 2649 O HOH A2142 18.914 9.579 3.438 1.00 14.90 O +HETATM 2650 O HOH A2143 11.331 -14.635 4.091 1.00 14.76 O +HETATM 2651 O HOH A2144 -21.133 0.344 -7.168 1.00 12.48 O +HETATM 2652 O HOH A2145 -16.091 -7.755 -3.290 1.00 14.25 O +HETATM 2653 O HOH A2146 -7.520 -2.056 -19.296 1.00 15.95 O +HETATM 2654 O HOH A2147 -13.526 8.099 9.698 1.00 18.74 O +HETATM 2655 O HOH A2148 -11.417 -9.452 5.638 0.50 9.74 O +HETATM 2656 O HOH A2149 17.073 -11.404 -7.833 1.00 16.69 O +HETATM 2657 O HOH A2150 4.135 -8.545 -28.639 1.00 18.44 O +HETATM 2658 O HOH A2151 -14.507 1.877 16.213 1.00 22.29 O +HETATM 2659 O HOH A2152 8.096 -13.339 10.453 1.00 18.42 O +HETATM 2660 O HOH A2153 2.939 -4.367 -25.807 1.00 16.88 O +HETATM 2661 O HOH A2154 1.303 19.442 -6.271 1.00 21.60 O +HETATM 2662 O HOH A2155 -4.876 12.228 -16.384 1.00 11.93 O +HETATM 2663 O HOH A2156 -18.836 7.093 -11.631 1.00 16.74 O +HETATM 2664 O HOH A2157 -22.591 -1.997 -6.592 1.00 9.82 O +HETATM 2665 O HOH A2158 1.322 6.304 -25.344 1.00 10.71 O +HETATM 2666 O HOH A2159 -0.093 5.738 -27.666 1.00 10.35 O +HETATM 2667 O HOH A2160 12.589 -0.642 -20.977 1.00 9.70 O +HETATM 2668 O HOH A2161 10.011 0.167 -21.578 1.00 10.76 O +HETATM 2669 O HOH A2162 -2.056 20.093 9.746 1.00 10.07 O +HETATM 2670 O HOH A2163 9.920 2.955 -21.155 1.00 10.98 O +HETATM 2671 O HOH A2164 -8.636 7.899 26.020 1.00 10.67 O +HETATM 2672 O HOH A2165 4.458 -4.623 -23.469 1.00 13.34 O +HETATM 2673 O HOH A2166 -2.082 -12.090 24.401 1.00 12.47 O +HETATM 2674 O HOH A2167 -4.453 2.056 -3.330 1.00 10.82 O +HETATM 2675 O HOH A2168 13.841 -4.603 -13.158 1.00 12.84 O +HETATM 2676 O HOH A2169 -7.441 18.943 16.192 1.00 18.85 O +HETATM 2677 O HOH A2170 12.143 3.795 -19.860 1.00 13.52 O +HETATM 2678 O HOH A2171 -0.708 22.650 1.550 1.00 13.17 O +HETATM 2679 O HOH A2172 -2.478 -11.835 19.931 1.00 12.22 O +HETATM 2680 O HOH A2173 11.214 -21.522 -7.859 1.00 13.49 O +HETATM 2681 O HOH A2174 -11.031 2.437 -17.750 1.00 13.86 O +HETATM 2682 O HOH A2175 -2.268 12.791 -3.743 1.00 14.87 O +HETATM 2683 O HOH A2176 -10.521 17.840 6.259 1.00 14.43 O +HETATM 2684 O HOH A2177 13.176 1.312 -19.045 1.00 16.77 O +HETATM 2685 O HOH A2178 18.318 -9.258 0.959 1.00 16.32 O +HETATM 2686 O HOH A2179 4.384 -15.820 4.981 1.00 12.24 O +HETATM 2687 O HOH A2180 17.746 7.109 -2.866 1.00 12.76 O +HETATM 2688 O HOH A2181 3.961 23.247 6.324 1.00 15.41 O +HETATM 2689 O HOH A2182 -16.495 -8.195 -7.878 1.00 18.07 O +HETATM 2690 O HOH A2183 3.247 -5.790 -28.105 1.00 18.14 O +HETATM 2691 O AHOH A2184 22.868 -5.659 -2.613 0.50 8.27 O +HETATM 2692 O BHOH A2184 22.767 -5.227 -3.612 0.50 10.69 O +HETATM 2693 O AHOH A2185 -19.803 0.114 -9.541 0.60 13.17 O +HETATM 2694 O BHOH A2185 -19.705 0.003 -11.007 0.40 15.37 O +HETATM 2695 O HOH A2186 14.236 -2.857 15.707 1.00 14.87 O +HETATM 2696 O HOH A2187 5.281 -13.653 -17.936 1.00 13.94 O +HETATM 2697 O HOH A2188 7.807 1.123 19.740 1.00 14.78 O +HETATM 2698 O HOH A2189 18.518 -15.380 -1.797 1.00 17.77 O +HETATM 2699 O HOH A2190 13.729 -5.726 12.011 1.00 17.62 O +HETATM 2700 O HOH A2191 15.901 -5.344 10.244 1.00 16.27 O +HETATM 2701 O HOH A2192 -6.386 4.608 28.731 1.00 13.99 O +HETATM 2702 O HOH A2193 -5.787 -19.842 5.271 1.00 16.21 O +HETATM 2703 O HOH A2194 10.813 -17.158 2.607 1.00 15.80 O +HETATM 2704 O HOH A2195 -2.059 18.692 -10.741 1.00 15.98 O +HETATM 2705 O HOH A2196 -11.421 -8.316 14.430 1.00 20.81 O +HETATM 2706 O HOH A2197 -6.814 9.214 -18.093 1.00 19.60 O +HETATM 2707 O HOH A2198 -4.094 -20.463 -0.972 1.00 14.84 O +HETATM 2708 O HOH A2199 2.675 8.969 19.938 1.00 19.78 O +HETATM 2709 O HOH A2200 14.720 -5.254 14.534 1.00 19.62 O +HETATM 2710 O HOH A2201 -0.818 -1.956 24.584 1.00 19.66 O +HETATM 2711 O HOH A2202 10.175 -22.931 -12.266 1.00 16.13 O +HETATM 2712 O AHOH A2203 7.196 17.322 -7.857 0.50 13.72 O +HETATM 2713 O BHOH A2203 7.679 18.590 -7.334 0.50 14.98 O +HETATM 2714 O HOH A2204 -22.028 4.249 6.774 1.00 15.09 O +HETATM 2715 O HOH A2205 -13.405 11.749 -13.229 1.00 16.51 O +HETATM 2716 O HOH A2206 -10.119 18.428 -13.266 1.00 17.49 O +HETATM 2717 O HOH A2207 21.107 8.046 3.424 1.00 18.00 O +HETATM 2718 O HOH A2208 -1.792 0.543 25.437 1.00 15.27 O +HETATM 2719 O HOH A2209 1.351 3.889 -28.911 1.00 22.72 O +HETATM 2720 O HOH A2210 -0.558 19.948 0.501 1.00 15.81 O +HETATM 2721 O HOH A2211 17.884 -9.167 8.237 1.00 15.57 O +HETATM 2722 O HOH A2212 -10.936 -15.691 -0.810 1.00 19.15 O +HETATM 2723 O HOH A2213 14.388 -6.109 -15.282 1.00 15.40 O +HETATM 2724 O HOH A2214 9.645 20.536 0.345 1.00 14.91 O +HETATM 2725 O AHOH A2215 -5.770 17.662 14.564 0.50 10.98 O +HETATM 2726 O BHOH A2215 -5.261 16.528 15.519 0.25 5.91 O +HETATM 2727 O CHOH A2215 -4.475 15.942 16.119 0.25 6.25 O +HETATM 2728 O HOH A2216 -18.926 -4.282 -8.337 1.00 15.36 O +HETATM 2729 O AHOH A2217 -18.081 -0.702 8.072 0.70 12.50 O +HETATM 2730 O BHOH A2217 -19.147 -1.620 6.089 0.30 13.69 O +HETATM 2731 O HOH A2218 -1.096 -14.645 -11.637 1.00 16.06 O +HETATM 2732 O HOH A2219 18.603 -7.893 -4.113 1.00 16.39 O +HETATM 2733 O HOH A2220 -0.634 -20.535 -9.104 1.00 22.62 O +HETATM 2734 O HOH A2221 4.212 19.571 -13.521 1.00 19.97 O +HETATM 2735 O HOH A2222 -22.254 8.917 7.465 1.00 18.55 O +HETATM 2736 O AHOH A2223 -22.426 9.430 0.087 0.60 15.22 O +HETATM 2737 O BHOH A2223 -23.616 8.372 -1.438 0.40 3.30 O +HETATM 2738 O HOH A2224 21.668 -5.936 7.018 1.00 25.32 O +HETATM 2739 O HOH A2225 -15.326 -0.291 14.816 1.00 19.26 O +HETATM 2740 O HOH A2226 3.382 11.718 16.602 1.00 19.07 O +HETATM 2741 O HOH A2227 -13.566 -5.656 -15.443 1.00 18.33 O +HETATM 2742 O HOH A2228 -3.043 15.470 -0.297 1.00 19.81 O +HETATM 2743 O HOH A2229 2.338 2.333 -26.026 1.00 25.34 O +HETATM 2744 O HOH A2230 -4.891 -13.031 20.789 1.00 18.32 O +HETATM 2745 O HOH A2231 17.073 -13.105 -10.100 1.00 19.16 O +HETATM 2746 O HOH A2232 -18.763 -2.661 -12.415 1.00 20.25 O +HETATM 2747 O HOH A2233 -11.608 -11.003 15.324 1.00 24.02 O +HETATM 2748 O HOH A2234 -0.422 -20.667 -6.783 1.00 22.00 O +HETATM 2749 O HOH A2235 7.486 -24.124 -6.365 1.00 16.61 O +HETATM 2750 O HOH A2236 0.393 -4.006 -24.955 1.00 17.49 O +HETATM 2751 O HOH A2237 -2.502 22.914 6.255 1.00 17.85 O +HETATM 2752 O HOH A2238 -6.198 -6.936 16.564 1.00 23.43 O +HETATM 2753 O HOH A2239 5.566 15.017 12.554 1.00 16.53 O +HETATM 2754 O HOH A2240 3.670 6.819 16.363 1.00 16.94 O +HETATM 2755 O HOH A2241 -9.844 -0.298 -18.815 1.00 17.48 O +HETATM 2756 O HOH A2242 5.956 -8.338 -30.597 1.00 15.87 O +HETATM 2757 O HOH A2243 14.653 15.281 2.670 1.00 19.26 O +HETATM 2758 O AHOH A2244 20.377 1.616 6.444 0.50 10.70 O +HETATM 2759 O CHOH A2244 21.075 1.398 5.258 0.50 10.89 O +HETATM 2760 O HOH A2245 -8.105 -19.247 -0.310 1.00 30.31 O +HETATM 2761 O HOH A2246 2.408 -19.430 11.817 1.00 26.96 O +HETATM 2762 O AHOH A2247 9.848 10.487 -11.149 0.50 11.61 O +HETATM 2763 O BHOH A2247 11.134 10.200 -9.939 0.50 24.62 O +HETATM 2764 O HOH A2248 -1.443 -5.894 -23.290 1.00 20.55 O +HETATM 2765 O HOH A2249 5.207 4.521 -27.039 1.00 18.28 O +HETATM 2766 O HOH A2250 1.122 12.413 17.560 1.00 19.02 O +HETATM 2767 O HOH A2251 -14.244 15.687 6.596 1.00 26.19 O +HETATM 2768 O HOH A2252 -5.073 -5.603 22.459 1.00 24.80 O +HETATM 2769 O HOH A2253 -4.903 -6.909 19.231 1.00 21.98 O +HETATM 2770 O HOH A2254 -17.699 -4.853 4.416 1.00 19.27 O +HETATM 2771 O HOH A2255 -20.526 6.050 13.606 1.00 20.64 O +HETATM 2772 O HOH A2256 3.862 24.965 2.230 1.00 17.45 O +HETATM 2773 O HOH A2257 1.388 19.059 12.646 1.00 19.89 O +HETATM 2774 O HOH A2258 22.110 -7.572 3.196 1.00 21.06 O +HETATM 2775 O HOH A2259 -17.480 -6.840 -13.599 1.00 28.66 O +HETATM 2776 O HOH A2260 -12.339 -13.967 5.544 1.00 21.15 O +HETATM 2777 O HOH A2261 6.802 -13.340 20.970 1.00 18.04 O +HETATM 2778 O AHOH A2262 11.749 12.252 -7.301 0.50 10.11 O +HETATM 2779 O BHOH A2262 11.412 13.184 -8.219 0.50 16.68 O +HETATM 2780 O HOH A2263 4.758 -10.505 -26.725 1.00 16.49 O +HETATM 2781 O HOH A2264 -8.661 20.435 2.904 1.00 21.89 O +HETATM 2782 O HOH A2265 -5.832 19.898 -18.125 1.00 25.88 O +HETATM 2783 O HOH A2266 9.088 12.923 -9.964 1.00 21.53 O +HETATM 2784 O HOH A2267 16.987 0.941 -13.121 1.00 22.48 O +HETATM 2785 O HOH A2268 18.559 -16.179 6.825 1.00 21.91 O +HETATM 2786 O HOH A2269 8.800 21.878 2.841 1.00 17.96 O +HETATM 2787 O HOH A2270 3.453 -3.392 25.179 1.00 28.70 O +HETATM 2788 O HOH A2271 -7.208 -4.955 18.394 1.00 24.97 O +HETATM 2789 O HOH A2272 8.663 -16.155 18.287 1.00 22.90 O +HETATM 2790 O HOH A2273 -13.815 -11.413 11.742 1.00 23.97 O +HETATM 2791 O HOH A2274 20.649 -13.530 4.394 1.00 25.37 O +HETATM 2792 O HOH A2275 15.593 -13.363 9.516 1.00 21.49 O +HETATM 2793 O HOH A2276 -7.372 -14.705 17.091 1.00 20.41 O +HETATM 2794 O HOH A2277 6.239 -11.345 22.811 1.00 27.21 O +HETATM 2795 O HOH A2278 -6.278 -1.984 -22.922 1.00 20.02 O +HETATM 2796 O HOH A2279 1.262 -18.033 10.046 1.00 22.94 O +HETATM 2797 O HOH A2280 17.734 -10.710 -1.715 1.00 26.08 O +HETATM 2798 O HOH A2281 -11.471 7.160 22.294 1.00 17.16 O +HETATM 2799 O HOH A2282 18.355 5.852 -7.204 1.00 22.49 O +HETATM 2800 O AHOH A2283 -11.674 14.982 -3.303 0.50 10.81 O +HETATM 2801 O BHOH A2283 -11.067 15.690 -4.452 0.50 16.82 O +HETATM 2802 O HOH A2284 11.026 10.576 -13.722 1.00 23.90 O +HETATM 2803 O HOH A2285 -20.623 0.610 8.063 1.00 27.62 O +HETATM 2804 O HOH A2286 -13.613 8.542 6.956 0.50 9.68 O +HETATM 2805 O AHOH A2287 6.459 -16.810 -15.140 0.70 14.52 O +HETATM 2806 O BHOH A2287 4.909 -17.583 -15.140 0.30 14.52 O +HETATM 2807 O HOH A2288 -17.244 12.005 1.934 1.00 25.68 O +HETATM 2808 O HOH A2289 -12.563 13.337 0.823 1.00 26.34 O +HETATM 2809 O HOH A2290 -6.184 -19.143 -6.753 1.00 24.09 O +HETATM 2810 O HOH A2291 4.862 -14.493 24.268 1.00 20.61 O +HETATM 2811 O HOH A2292 21.960 -4.027 -6.161 0.50 11.51 O +HETATM 2812 O HOH A2293 12.821 -16.981 -7.947 1.00 17.02 O +HETATM 2813 O HOH A2294 -19.591 10.183 2.321 1.00 24.11 O +HETATM 2814 O HOH A2295 14.981 -15.638 -7.284 1.00 21.90 O +HETATM 2815 O HOH A2296 14.116 4.401 -21.488 1.00 20.10 O +HETATM 2816 O HOH A2297 9.163 -0.178 -24.215 1.00 12.72 O +HETATM 2817 O HOH A2298 -4.536 -12.104 23.569 1.00 14.86 O +HETATM 2818 O HOH A2299 -4.792 6.887 -18.911 0.70 10.62 O +HETATM 2819 O HOH A2300 2.905 6.269 18.809 1.00 17.03 O +HETATM 2820 O HOH A2301 -23.520 -2.710 -8.995 1.00 18.79 O +HETATM 2821 O HOH A2302 -9.723 19.917 14.744 1.00 19.36 O +HETATM 2822 O HOH A2303 5.689 23.846 4.293 1.00 23.82 O +HETATM 2823 O HOH A2304 -7.841 -12.975 19.640 1.00 19.54 O +HETATM 2824 O HOH A2305 6.555 -16.011 3.552 1.00 14.77 O +HETATM 2825 O HOH A2306 -4.191 12.582 24.405 1.00 18.17 O +HETATM 2826 O HOH A2307 2.630 -0.650 24.419 0.50 12.14 O +HETATM 2827 O HOH A2308 0.001 2.172 26.576 1.00 24.28 O +HETATM 2828 O HOH A2309 -4.324 4.846 -25.876 1.00 18.02 O +HETATM 2829 O HOH A2310 -12.276 17.902 -11.459 1.00 19.39 O +HETATM 2830 O HOH A2311 19.339 -12.923 -2.566 1.00 25.05 O +HETATM 2831 O HOH A2312 -2.275 4.259 -27.400 1.00 21.11 O +HETATM 2832 O HOH A2313 19.773 -4.927 8.546 1.00 24.09 O +HETATM 2833 O HOH A2314 18.012 -6.758 9.924 1.00 25.25 O +HETATM 2834 O HOH A2315 13.937 15.894 0.048 1.00 21.37 O +HETATM 2835 O HOH A2316 14.402 -9.622 11.772 1.00 22.80 O +HETATM 2836 O HOH A2317 17.791 -15.059 9.056 1.00 22.13 O +HETATM 2837 O HOH A2318 2.659 -24.292 -8.565 1.00 21.69 O +HETATM 2838 O HOH A2319 -12.587 -9.554 2.953 0.50 14.37 O +HETATM 2839 O HOH A2320 -3.975 22.079 10.333 1.00 23.87 O +HETATM 2840 O HOH A2321 -15.540 -7.860 13.092 1.00 22.89 O +HETATM 2841 O AHOH A2322 5.736 25.884 0.401 0.50 14.16 O +HETATM 2842 O BHOH A2322 5.260 25.254 -0.561 0.50 17.21 O +HETATM 2843 O HOH A2323 -13.856 -10.348 -10.547 1.00 27.22 O +HETATM 2844 O HOH A2324 -7.949 14.806 0.991 0.50 12.33 O +HETATM 2845 O HOH A2325 -10.724 19.638 -15.482 1.00 42.00 O +HETATM 2846 O HOH A2326 18.429 -11.219 -11.736 1.00 23.42 O +HETATM 2847 O HOH A2327 15.854 -10.717 9.855 1.00 25.10 O +HETATM 2848 O HOH A2328 -14.416 -12.702 -3.591 1.00 25.12 O +HETATM 2849 O HOH A2329 -14.640 2.783 18.741 1.00 24.86 O +HETATM 2850 O HOH A2330 19.010 -6.135 -8.855 1.00 28.35 O +HETATM 2851 O HOH A2331 12.643 -11.684 14.508 1.00 27.78 O +HETATM 2852 O HOH A2332 10.543 3.793 -23.690 1.00 23.01 O +HETATM 2853 O HOH A2333 -22.909 3.556 -10.829 1.00 24.55 O +HETATM 2854 O AHOH A2334 10.141 11.488 -15.904 0.50 13.47 O +HETATM 2855 O BHOH A2334 9.381 12.470 -15.805 0.50 16.39 O +HETATM 2856 O HOH A2335 -3.588 17.391 -18.250 1.00 29.82 O +HETATM 2857 O HOH A2336 -4.043 21.036 3.273 1.00 31.00 O +HETATM 2858 O HOH A2337 15.147 -1.588 12.890 1.00 20.02 O +HETATM 2859 O AHOH A2338 3.186 -17.764 8.140 0.50 12.43 O +HETATM 2860 O BHOH A2338 4.409 -17.730 8.869 0.50 20.12 O +HETATM 2861 O HOH A2339 22.655 -7.942 -1.571 1.00 29.90 O +HETATM 2862 O HOH A2340 5.907 23.350 -3.887 1.00 25.86 O +HETATM 2863 O HOH A2341 -6.699 14.483 -17.361 1.00 24.90 O +HETATM 2864 O HOH A2342 -14.464 -9.047 -14.565 1.00 24.07 O +HETATM 2865 O HOH A2343 -13.682 -7.208 15.412 1.00 26.16 O +HETATM 2866 O HOH A2344 -19.752 -0.452 -14.028 1.00 34.82 O +HETATM 2867 O HOH A2345 -11.277 20.363 1.567 1.00 21.80 O +HETATM 2868 O HOH A2346 -6.844 -0.082 29.430 1.00 24.62 O +HETATM 2869 O HOH A2347 20.384 -9.722 2.108 1.00 33.23 O +HETATM 2870 O HOH A2348 10.971 -20.747 -5.527 1.00 24.14 O +HETATM 2871 O HOH A2349 8.051 24.053 3.588 1.00 31.25 O +HETATM 2872 O HOH A2350 -10.586 20.402 7.204 1.00 30.25 O +HETATM 2873 O HOH A2351 -12.400 -10.356 -6.897 1.00 22.43 O +HETATM 2874 O HOH A2352 15.499 14.785 -1.595 1.00 27.39 O +HETATM 2875 O HOH A2353 -2.719 -21.928 -5.235 1.00 30.99 O +HETATM 2876 O HOH A2354 17.013 12.111 -0.623 1.00 24.60 O +HETATM 2877 O HOH A2355 -0.471 -17.660 -10.646 1.00 28.63 O +HETATM 2878 O HOH A2356 3.583 -1.705 -26.008 1.00 22.75 O +HETATM 2879 O HOH A2357 4.881 -24.833 -7.124 1.00 23.47 O +HETATM 2880 O HOH A2358 2.157 -17.597 5.526 1.00 29.27 O +HETATM 2881 O HOH A2359 -2.451 22.683 3.441 1.00 22.77 O +HETATM 2882 O HOH A2360 -16.903 -8.724 -1.131 1.00 35.13 O +HETATM 2883 O HOH A2361 17.521 -4.371 12.226 1.00 35.82 O +HETATM 2884 O HOH A2362 -6.414 -4.398 24.737 1.00 27.11 O +HETATM 2885 O HOH A2363 -2.514 18.969 -0.965 1.00 26.74 O +HETATM 2886 O HOH A2364 14.575 11.390 -7.005 1.00 24.40 O +HETATM 2887 O AHOH A2365 21.003 -2.864 9.832 0.70 20.83 O +HETATM 2888 O BHOH A2365 20.633 -0.887 9.817 0.30 16.15 O +HETATM 2889 O HOH A2366 -4.533 16.602 19.088 1.00 29.66 O +HETATM 2890 O HOH A2367 -0.992 -8.578 22.026 1.00 22.57 O +HETATM 2891 O HOH A2368 0.023 -22.553 -11.236 1.00 24.75 O +HETATM 2892 O HOH A2369 2.724 15.152 -14.582 1.00 28.47 O +HETATM 2893 O HOH A2370 -20.873 9.736 -3.955 0.50 12.63 O +HETATM 2894 O HOH A2371 -22.381 -1.432 -10.979 1.00 30.72 O +HETATM 2895 O HOH A2372 -14.614 17.080 -7.412 1.00 30.07 O +HETATM 2896 O HOH A2373 -20.275 10.215 -0.945 1.00 23.97 O +HETATM 2897 O HOH A2374 -13.867 12.241 -2.993 1.00 32.18 O +HETATM 2898 O HOH A2375 7.642 -9.534 22.068 1.00 27.26 O +HETATM 2899 O HOH A2376 4.583 9.624 17.962 1.00 30.48 O +HETATM 2900 O HOH A2377 12.481 18.364 -1.045 1.00 29.43 O +HETATM 2901 O HOH A2378 -8.636 -18.639 -12.916 1.00 39.98 O +HETATM 2902 O HOH A2379 4.155 -19.768 -15.976 1.00 43.18 O +HETATM 2903 O HOH A2380 17.150 14.028 2.185 1.00 30.16 O +HETATM 2904 O HOH A2381 -11.320 -17.161 8.538 1.00 24.48 O +HETATM 2905 O HOH A2382 4.613 -16.210 -17.018 1.00 38.03 O +HETATM 2906 O HOH A2383 -17.624 9.870 -11.986 1.00 28.37 O +HETATM 2907 O HOH A2384 -0.556 15.845 17.044 1.00 31.78 O +HETATM 2908 O HOH A2385 -14.878 -12.487 9.591 1.00 32.91 O +HETATM 2909 O HOH A2386 15.351 5.882 -16.484 1.00 29.43 O +HETATM 2910 O HOH A2387 -17.757 10.753 -9.430 1.00 23.75 O +HETATM 2911 O HOH A2388 -14.878 -11.485 -0.738 1.00 31.20 O +HETATM 2912 O AHOH A2389 13.524 7.295 10.652 0.50 23.45 O +HETATM 2913 O BHOH A2389 13.123 9.136 10.113 0.50 17.42 O +HETATM 2914 O HOH A2390 -5.829 9.406 -20.676 1.00 30.20 O +HETATM 2915 O HOH A2391 -1.659 17.639 -13.623 1.00 28.41 O +HETATM 2916 O AHOH A2392 -4.410 -20.187 -8.629 0.50 19.21 O +HETATM 2917 O BHOH A2392 -3.530 -19.801 -9.400 0.50 19.72 O +HETATM 2918 O HOH A2393 -9.422 -17.180 4.723 1.00 27.30 O +HETATM 2919 O AHOH A2394 18.263 -4.968 -12.117 0.40 21.05 O +HETATM 2920 O BHOH A2394 18.460 -4.775 -10.830 0.60 17.97 O +HETATM 2921 O HOH A2395 0.473 -6.571 23.081 1.00 29.58 O +HETATM 2922 O HOH A2396 -0.163 13.517 -15.821 1.00 45.24 O +HETATM 2923 O AHOH A2397 -7.695 0.821 -26.378 0.50 19.07 O +HETATM 2924 O BHOH A2397 -6.722 1.719 -26.968 0.50 19.21 O +HETATM 2925 O HOH A2398 -10.153 -19.443 9.858 1.00 24.60 O +HETATM 2926 O HOH A2399 11.350 -16.960 7.602 1.00 24.95 O +HETATM 2927 O HOH A2400 -7.296 -13.150 -18.314 1.00 34.61 O +HETATM 2928 O HOH A2401 -17.299 -9.341 -5.414 1.00 28.12 O +HETATM 2929 O HOH A2402 -4.166 18.702 -2.919 1.00 28.82 O +HETATM 2930 O HOH A2403 0.093 20.147 -10.599 0.50 17.63 O +HETATM 2931 O HOH A2404 3.134 -19.116 2.954 1.00 26.21 O +HETATM 2932 O HOH A2405 20.870 -9.073 -3.143 1.00 31.69 O +HETATM 2933 O HOH A2406 20.938 -10.157 4.957 1.00 35.63 O +HETATM 2934 O HOH A2407 -19.071 2.716 -10.906 1.00 25.37 O +HETATM 2935 O HOH A2408 -11.491 -13.241 -12.239 1.00 27.66 O +HETATM 2936 O HOH A2409 0.924 -5.503 -29.112 1.00 37.87 O +HETATM 2937 O HOH A2410 6.846 -4.928 23.888 1.00 29.09 O +HETATM 2938 O HOH A2411 -2.715 -22.146 5.731 0.50 32.28 O +HETATM 2939 O AHOH A2412 -1.830 18.552 -8.271 0.50 7.79 O +HETATM 2940 O BHOH A2412 -1.684 18.590 -6.692 0.50 14.64 O +HETATM 2941 O HOH A2413 2.052 3.901 20.284 1.00 25.68 O +HETATM 2942 O HOH A2414 1.666 20.390 -12.691 1.00 24.03 O +HETATM 2943 O HOH A2415 6.509 -18.317 15.312 1.00 24.23 O +HETATM 2944 O HOH A2416 0.204 20.978 10.829 1.00 26.73 O +HETATM 2945 O HOH A2417 -1.789 17.332 15.212 1.00 30.88 O +HETATM 2946 O HOH A2418 -1.645 -10.078 26.172 1.00 26.86 O +HETATM 2947 O HOH A2419 2.791 1.327 25.707 1.00 29.86 O +HETATM 2948 O HOH A2420 -16.346 -11.893 -5.016 1.00 33.13 O +HETATM 2949 O HOH A2421 8.176 -22.367 -4.235 1.00 39.43 O +HETATM 2950 O HOH A2422 -10.033 -10.418 -17.529 1.00 33.13 O +HETATM 2951 O HOH A2423 -14.073 -11.535 16.632 1.00 41.25 O +HETATM 2952 O AHOH A2424 10.903 13.327 8.519 0.70 18.88 O +HETATM 2953 O BHOH A2424 11.720 12.670 9.918 0.30 8.56 O +HETATM 2954 O AHOH A2425 -12.254 15.018 -12.086 0.50 19.49 O +HETATM 2955 O BHOH A2425 -12.048 13.985 -13.560 0.50 15.73 O +HETATM 2956 O HOH A2426 -13.428 -3.025 -20.209 1.00 36.19 O +HETATM 2957 O HOH A2427 -14.103 7.733 -13.899 1.00 28.62 O +HETATM 2958 O HOH A2428 -9.075 20.089 12.239 1.00 29.19 O +HETATM 2959 O HOH A2429 -9.540 22.110 4.815 1.00 26.15 O +HETATM 2960 O HOH A2430 -16.434 -6.134 8.412 1.00 24.19 O +HETATM 2961 O HOH A2431 -6.312 21.648 2.461 1.00 30.42 O +HETATM 2962 O HOH A2432 5.905 21.070 -7.167 1.00 30.85 O +HETATM 2963 O HOH A2433 -7.583 18.248 -17.489 1.00 33.58 O +HETATM 2964 O HOH A2434 -4.170 -20.283 -11.548 1.00 25.80 O +HETATM 2965 O HOH A2435 -3.267 1.337 29.197 1.00 29.61 O +HETATM 2966 O HOH A2436 17.915 -8.122 -9.233 1.00 33.18 O +HETATM 2967 O HOH A2437 0.232 1.543 -28.838 1.00 38.65 O +HETATM 2968 O HOH A2438 -12.146 5.093 -17.113 1.00 31.17 O +HETATM 2969 O HOH A2439 -13.740 1.479 20.783 1.00 28.33 O +HETATM 2970 O HOH A2440 7.419 23.981 -2.141 1.00 32.61 O +HETATM 2971 O HOH A2441 12.695 -12.301 12.013 1.00 32.69 O +HETATM 2972 O HOH A2442 5.576 13.513 16.720 1.00 34.99 O +HETATM 2973 O HOH A2443 -9.121 21.948 8.567 1.00 31.99 O +HETATM 2974 O HOH A2444 15.130 -7.831 18.031 1.00 34.88 O +HETATM 2975 O HOH A2445 1.731 -15.550 -19.618 1.00 35.18 O +HETATM 2976 O HOH A2446 7.633 -17.327 11.096 1.00 33.93 O +HETATM 2977 O HOH A2447 14.784 -14.170 11.661 1.00 39.93 O +HETATM 2978 O HOH A2448 8.722 13.675 -13.967 1.00 45.07 O +HETATM 2979 O HOH A2449 -9.520 -13.049 -17.448 1.00 33.27 O +HETATM 2980 O HOH A2450 -21.585 6.247 -11.515 1.00 37.68 O +HETATM 2981 O HOH A2451 -6.518 22.825 9.300 1.00 34.59 O +HETATM 2982 O HOH A2452 -9.046 -21.038 7.700 1.00 37.82 O +HETATM 2983 O HOH A2453 12.553 18.109 6.828 1.00 29.07 O +HETATM 2984 O HOH A2454 13.048 20.930 3.427 1.00 40.78 O +HETATM 2985 O HOH A2455 -10.267 -6.781 15.677 1.00 31.35 O +HETATM 2986 O HOH A2456 -11.180 -2.805 19.110 1.00 24.45 O +HETATM 2987 O HOH A2457 -10.257 -5.308 18.152 1.00 30.76 O +HETATM 2988 O HOH A2458 0.554 -21.563 5.311 1.00 38.31 O +HETATM 2989 O HOH A2459 -12.603 -11.775 6.538 1.00 19.13 O +HETATM 2990 O HOH A2460 0.371 -8.787 -28.232 1.00 27.80 O +HETATM 2991 O HOH A2461 7.020 1.326 -24.721 1.00 15.11 O +HETATM 2992 O HOH A2462 8.306 14.854 9.425 1.00 31.56 O +HETATM 2993 O HOH A2463 -19.952 2.276 10.665 1.00 28.37 O +HETATM 2994 O HOH A2464 -18.885 -2.828 9.720 1.00 28.02 O +HETATM 2995 O HOH A2465 -17.467 10.435 7.380 1.00 27.10 O +HETATM 2996 O HOH A2466 -20.039 10.872 8.287 1.00 31.11 O +HETATM 2997 O HOH A2467 12.059 -17.548 10.356 1.00 35.74 O +HETATM 2998 O HOH A2468 2.886 3.944 22.668 1.00 30.34 O +HETATM 2999 O HOH A2469 1.185 -2.239 27.954 1.00 28.51 O +HETATM 3000 O HOH A2470 14.538 18.678 -0.075 1.00 42.69 O +HETATM 3001 O HOH A2471 -20.448 0.133 12.227 1.00 28.66 O +HETATM 3002 O HOH A2472 14.495 -18.231 10.973 1.00 30.91 O +HETATM 3003 O HOH A2473 11.493 20.147 7.305 1.00 48.10 O +HETATM 3004 O HOH A2474 11.454 3.010 18.949 1.00 30.60 O +HETATM 3005 O HOH A2475 6.615 24.376 10.158 1.00 40.94 O +HETATM 3006 O HOH A2476 -14.836 17.055 12.096 1.00 24.13 O +HETATM 3007 O HOH A2477 -15.412 -7.935 1.705 0.50 13.59 O +HETATM 3008 O HOH A2478 -22.165 9.649 -2.500 0.50 15.40 O +HETATM 3009 O HOH A2479 -12.689 -11.395 0.830 1.00 22.77 O +HETATM 3010 O HOH A2480 -19.931 10.271 4.591 1.00 26.82 O +HETATM 3011 O HOH A2481 6.538 14.282 -12.148 1.00 29.73 O +HETATM 3012 O HOH A2482 -5.992 7.866 -24.712 1.00 35.25 O +HETATM 3013 O HOH A2483 1.433 -13.342 -19.061 1.00 34.81 O +HETATM 3014 O HOH A2484 -4.261 -21.102 7.007 0.50 14.61 O +HETATM 3015 O HOH A2485 1.697 -1.925 25.344 0.50 23.07 O +HETATM 3016 O HOH A2486 16.434 8.314 9.816 1.00 30.56 O +HETATM 3017 O HOH A2487 -6.642 23.998 5.077 1.00 40.68 O +HETATM 3018 O AHOH A2488 7.426 16.807 -11.947 0.50 19.70 O +HETATM 3019 O BHOH A2488 5.885 17.502 -13.183 0.50 26.03 O +HETATM 3020 O HOH A2489 8.456 24.222 7.982 1.00 47.37 O +HETATM 3021 O HOH A2490 18.965 -0.034 11.901 0.50 21.21 O +HETATM 3022 O HOH A2491 4.953 18.773 -9.229 1.00 36.71 O +HETATM 3023 O HOH A2492 -0.129 6.420 25.743 1.00 43.58 O +HETATM 3024 O HOH A2493 21.982 -6.032 -5.162 0.50 16.45 O +HETATM 3025 O HOH A2494 17.969 -19.449 -6.633 1.00 34.93 O +HETATM 3026 O HOH A2495 -4.239 -6.732 -20.656 1.00 25.44 O +HETATM 3027 O HOH A2496 -7.458 -1.415 26.045 1.00 29.71 O +HETATM 3028 O HOH A2497 -13.396 -4.838 16.726 1.00 37.31 O +HETATM 3029 O HOH A2498 19.989 -13.440 9.837 1.00 35.20 O +HETATM 3030 O HOH A2499 -11.910 -16.964 -2.624 1.00 30.57 O +HETATM 3031 O HOH A2500 -0.296 20.088 -8.464 0.50 17.14 O +HETATM 3032 O HOH A2501 1.581 -19.490 14.736 1.00 27.83 O +HETATM 3033 O HOH A2502 17.856 9.454 -8.473 1.00 36.49 O +HETATM 3034 O HOH A2503 -10.072 -17.883 -4.116 1.00 24.15 O +HETATM 3035 O HOH A2504 2.275 -16.408 -14.987 1.00 26.56 O +HETATM 3036 O HOH A2505 -5.899 15.524 -0.420 0.50 22.76 O +HETATM 3037 O HOH A2506 7.777 12.620 14.750 1.00 37.77 O +HETATM 3038 O HOH A2507 -12.048 10.889 -15.575 1.00 32.83 O +HETATM 3039 O HOH A2508 -13.672 -15.683 -3.480 1.00 39.83 O +HETATM 3040 O HOH A2509 -17.039 13.337 -9.120 0.65 16.66 O +HETATM 3041 O HOH A2510 18.599 10.600 6.410 1.00 25.50 O +HETATM 3042 O HOH A2511 21.764 0.130 4.576 0.50 12.25 O +HETATM 3043 O HOH A2512 17.293 3.307 9.524 1.00 25.07 O +HETATM 3044 O HOH A2513 5.320 5.241 19.811 1.00 27.72 O +HETATM 3045 O HOH A2514 -5.932 -21.711 0.804 1.00 44.17 O +HETATM 3046 O HOH A2515 -9.889 16.420 1.790 1.00 36.05 O +HETATM 3047 O HOH A2516 6.080 5.884 15.586 1.00 34.40 O +HETATM 3048 O AHOH A2517 -23.188 4.777 9.295 0.50 17.93 O +HETATM 3049 O BHOH A2517 -23.032 5.988 10.024 0.50 29.28 O +HETATM 3050 O HOH A2518 -2.775 -12.475 -17.266 1.00 38.23 O +HETATM 3051 O HOH A2519 10.265 23.359 6.372 1.00 38.77 O +HETATM 3052 O HOH A2520 -14.719 14.492 1.959 1.00 35.16 O +HETATM 3053 O HOH A2521 6.921 3.561 14.808 1.00 34.16 O +HETATM 3054 O HOH A2522 2.343 -22.579 -0.880 1.00 46.98 O +HETATM 3055 O HOH A2523 18.457 3.777 6.859 1.00 99.51 O +HETATM 3056 O HOH A2524 -4.815 -20.523 -3.913 1.00 29.12 O +HETATM 3057 O HOH A2525 -13.740 15.691 -12.659 0.50 16.80 O +HETATM 3058 O HOH A2526 16.553 5.833 10.570 1.00 40.27 O +HETATM 3059 O HOH A2527 -17.979 1.329 -15.347 1.00 34.56 O +HETATM 3060 O HOH A2528 -16.968 20.062 11.304 1.00 43.62 O +HETATM 3061 O HOH A2529 19.537 13.052 6.728 1.00 45.11 O +HETATM 3062 O HOH A2530 -18.823 3.570 -13.676 1.00 50.68 O +HETATM 3063 O HOH A2531 19.030 12.449 4.131 1.00 39.11 O +HETATM 3064 O HOH A2532 -14.901 -10.360 7.327 0.50 28.52 O +HETATM 3065 O HOH A2533 -17.483 -2.923 14.933 1.00 42.60 O +HETATM 3066 O HOH A2534 -10.239 8.995 -17.629 1.00 35.65 O +HETATM 3067 O HOH A2535 15.616 2.188 -22.899 1.00 34.35 O +HETATM 3068 O HOH A2536 0.190 4.722 27.549 1.00 37.70 O +HETATM 3069 O HOH A2537 18.216 -16.815 -4.165 0.50 13.08 O +HETATM 3070 O HOH A2538 -11.832 2.375 -20.310 1.00 38.53 O +HETATM 3071 O HOH A2539 17.134 -5.897 14.017 1.00 37.20 O +HETATM 3072 O HOH A2540 -2.375 3.387 29.714 1.00 34.76 O +HETATM 3073 O HOH A2541 5.053 -19.462 11.444 1.00 28.54 O +HETATM 3074 O HOH A2542 8.897 -3.537 23.388 1.00 35.65 O +CONECT 2493 2494 +CONECT 2494 2493 2495 2496 +CONECT 2495 2494 +CONECT 2496 2494 +CONECT 2497 2498 2499 2500 +CONECT 2498 2497 +CONECT 2499 2497 +CONECT 2500 2497 +CONECT 2501 2502 2503 2504 +CONECT 2502 2501 +CONECT 2503 2501 +CONECT 2504 2501 +MASTER 281 0 4 19 8 0 7 6 2914 1 12 23 +END diff --git a/data/pdb/__ b/data/pdb/__ new file mode 100644 index 0000000..dbe82ee --- /dev/null +++ b/data/pdb/__ @@ -0,0 +1 @@ +LIBGL_ALWAYS_SOFTWARE=1 vmd $1 diff --git a/data/pdb/simulation.conf b/data/pdb/simulation.conf new file mode 100644 index 0000000..ad8547c --- /dev/null +++ b/data/pdb/simulation.conf @@ -0,0 +1,66 @@ +# Simulation Configuration File for NAMD +# -------------------------------------- + +# Input and output files +structure enzyme.psf # PSF file of the enzyme +coordinates enzyme.pdb # PDB file of the enzyme +outputName output/simulation # Prefix for output files + +# Force field parameters +paraTypeCharmm on # Use CHARMM force field +parameters charmm36.prm # Parameter file for CHARMM36 force field +temperature 300 # Temperature in Kelvin + +# Periodic boundary conditions (Assumes cubic box, modify as needed) +cellBasisVector1 100.0 0.0 0.0 +cellBasisVector2 0.0 100.0 0.0 +cellBasisVector3 0.0 0.0 100.0 +cellOrigin 0.0 0.0 0.0 +wrapAll on + +# PME (Particle Mesh Ewald) for long-range electrostatics +PME yes # Enable PME for electrostatics +PMEGridSizeX 96 # Grid size for PME (adjust to fit box size) +PMEGridSizeY 96 +PMEGridSizeZ 96 + +# Integrator parameters +timestep 2.0 # 2 fs per step +nonbondedFreq 1 # Non-bonded interactions calculated every step +fullElectFrequency 2 # Full electrostatics evaluated every 2 steps +stepspercycle 20 # Grouping of integration steps + +# Temperature control (Langevin dynamics) +langevin on # Use Langevin dynamics for temperature control +langevinDamping 1.0 # Damping coefficient (1/ps) +langevinTemp 300 # Target temperature in Kelvin +langevinHydrogen off # Exclude hydrogen atoms from Langevin dynamics + +# Pressure control (Langevin piston for NPT ensemble) +useGroupPressure yes # More stable, accurate Langevin piston +useFlexibleCell no # Keep box shape fixed +useConstantArea no +langevinPiston on +langevinPistonTarget 1.01325 # Target pressure in bar (1 atm) +langevinPistonPeriod 100.0 # Piston oscillation period (fs) +langevinPistonDecay 50.0 # Damping timescale (fs) +langevinPistonTemp 300 # Piston temperature (K) + +# Minimization +minimize 1000 # Minimization steps + +# Equilibration phase +reassignFreq 1000 # Reassign temperature every 1000 steps +reassignTemp 300 # Set initial temperature for equilibration +reassignIncr 1.0 # Increase temperature slowly +reassignHold 300 # Hold at 300 K + +# Production phase (run) +run 500000 # Number of steps for production run (1 ns with 2 fs timestep) + +# Output settings +restartfreq 1000 # Save restart files every 1000 steps +dcdfreq 1000 # Save trajectory data every 1000 steps +xstFreq 1000 # Save extended system data (for periodic boundary conditions) +outputEnergies 100 # Output energy data every 100 steps + diff --git a/doc/main.pdf b/doc/main.pdf index a931673..c716bd6 100644 Binary files a/doc/main.pdf and b/doc/main.pdf differ diff --git a/doc/main.tex b/doc/main.tex index 74debb6..f1cfcff 100644 --- a/doc/main.tex +++ b/doc/main.tex @@ -1,5 +1,7 @@ \documentclass{report} +\usepackage{amsmath} + % Pakiety do ustawienia marginesów \usepackage{geometry} \geometry{ @@ -152,9 +154,17 @@ \input{modules/pomiar_efektywnosci_dhaa.tex} \label{sec:protocol} - % \newpage - % \input{modules/bio} - % \label{sec:bio} + \newpage + \input{modules/ecoli.tex} + \label{sec:ecoli} + + \newpage + \input{modules/pet28a} % Wczytaj zawartość pliku + \label{sec:pet28a} + + \newpage + \input{modules/nic_kodujaca} % Wczytaj zawartość pliku + \label{sec:pet28a} % \newpage % \input{modules/wymagania_edukacyjne} % Wczytaj zawartość pliku diff --git a/doc/modules/dehalogenaza_dhaa.tex b/doc/modules/dehalogenaza_dhaa.tex index 101f560..81d46fc 100644 --- a/doc/modules/dehalogenaza_dhaa.tex +++ b/doc/modules/dehalogenaza_dhaa.tex @@ -2,7 +2,7 @@ \begin{center} \fbox{ \begin{minipage}{0.9\textwidth} - \textbf{Dehalogenaza Haloalkanowa (DhaA)} jest enzymem odpowiedzialnym za usuwanie atomów halogenów z organicznych zwiÄ…zków chemicznych. Enzym ten jest stosowany w badaniach nad biodegradacjÄ… i biotransformacjÄ… zwiÄ…zków fluoro- i chloroorganicznych, które sÄ… trudne do rozkÅ‚adu. + \textbf{Dehalogenaza Haloalkanowa (DhaA)} jest enzymem odpowiedzialnym za usuwanie atomów halogenów z organicznych zwiÄ…zków chemicznych. Enzym ten jest stosowany w badaniach nad biodegradacjÄ… i biotransformacjÄ… zwiÄ…zków fluoro- i chloroorganicznych, które sÄ… trudne do rozkÅ‚adu \cite{jansson2004structural}. \end{minipage} } \end{center} @@ -14,6 +14,7 @@ \item Dehalogenaza haloalkanowa (DhaA) pochodzi z bakterii \textit{Xanthobacter autotrophicus}. \item Enzym skÅ‚ada siÄ™ z **293 aminokwasów** i ma masÄ™ czÄ…steczkowÄ… okoÅ‚o 33 kDa \cite{jansson2004structural}. \item Struktura przestrzenna DhaA należy do klasy $\alpha/\beta$-hydrolaz i zawiera charakterystyczny faÅ‚d $\alpha/\beta$ z helisami i arkuszami $\beta$, które tworzÄ… stabilny rdzeÅ„ biaÅ‚ka \cite{schindler2009chemical}. + \item Struktura dzikiego typu DhaA jest dostÄ™pna w bazie danych PDB pod identyfikatorem **4E46**, co stanowi istotny punkt odniesienia w analizie mutantów tego enzymu \cite{jansson2004structural}. \end{longenum} \vspace{0.5cm} @@ -39,13 +40,13 @@ \begin{longenum} \item W celu zwiÄ™kszenia aktywnoÅ›ci i specyficznoÅ›ci DhaA dla różnych substratów, opracowano szereg mutantów tego enzymu. \begin{longenum} + \item \textbf{DhaA80 (mutacja T148L/W264F)}: Wykazuje wyższÄ… specyficzność wobec zwiÄ…zków chloroorganicznych i jest stabilniejsza termicznie niż typ dziki. Struktura tego mutanta jest dostÄ™pna w bazie PDB pod identyfikatorem **7O8B** \cite{stsiapanava2010characterization}. \item \textbf{DhaA31 (mutacja T148L/Y273F)}: ZwiÄ™kszona aktywność w dehalogenacji krótszych alkanów fluoroorganicznych \cite{stsiapanava2010characterization}. - \item \textbf{DhaA80 (mutacja T148L/W264F)}: Wykazuje wyższÄ… specyficzność wobec zwiÄ…zków chloroorganicznych i jest stabilniejsza termicznie niż typ dziki \cite{kalum2006substrate}. \item \textbf{DhaA115 (mutacja T148L/W264F/L175A)}: Ta mutacja sprawia, że enzym jest bardziej stabilny i wykazuje zwiÄ™kszonÄ… aktywność w szerszym zakresie pH, co czyni go użytecznym do zastosowaÅ„ przemysÅ‚owych \cite{prokop2010structure}. \end{longenum} \end{longenum} \end{longenum} \vspace{0.5cm} -\textbf{Podsumowanie}: Dehalogenaza haloalkanowa (DhaA) jest wszechstronnym enzymem stosowanym w biodegradacji zwiÄ…zków halogenowych, a jej prosty mechanizm dziaÅ‚ania i dostÄ™pność mutantów czyniÄ… jÄ… idealnym obiektem badaÅ„ z wykorzystaniem metod QM/MM oraz ekspresji w systemach heterologicznych, takich jak \textit{E. coli}. +\textbf{Podsumowanie}: Dehalogenaza haloalkanowa (DhaA) jest wszechstronnym enzymem stosowanym w biodegradacji zwiÄ…zków halogenowych. Zarówno struktura dzikiego typu (4E46), jak i mutanty, takie jak DhaA80 (7O8B), stanowiÄ… cenne obiekty do badaÅ„ mechanizmu dziaÅ‚ania tego enzymu oraz jego wykorzystania w zastosowaniach przemysÅ‚owych \cite{jansson2004structural, schindler2009chemical, stsiapanava2010characterization}. diff --git a/doc/modules/ecoli.tex b/doc/modules/ecoli.tex new file mode 100644 index 0000000..5db6695 --- /dev/null +++ b/doc/modules/ecoli.tex @@ -0,0 +1,39 @@ +\newpage +\item +\begin{center} + \fbox{ + \begin{minipage}{0.9\textwidth} + \textbf{Ekspresja biaÅ‚ka dehalogenazy haloalkanowej (DhaA) w \textit{E. coli} z użyciem plazmidu pET-28a.} + EkspresjÄ™ biaÅ‚ka dzikiego typu DhaA oraz jego mutantów można przeprowadzić z użyciem szczepu \textit{Escherichia coli} BL21(DE3) oraz wektora ekspresyjnego pET-28a, co umożliwia wysokÄ… wydajność i kontrolowanÄ… ekspresjÄ™ biaÅ‚ka \cite{studier1990use}. + \end{minipage} + } +\end{center} + +\vspace{.5cm} +\begin{longenum} + \item Szczep \textit{Escherichia coli} BL21(DE3) + \begin{longenum} + \item \textbf{Genotyp}: BL21(DE3) zawiera insercjÄ™ \textit{T7 RNA polymerase} pod kontrolÄ… promotora \textit{lacUV5}, co pozwala na kontrolowanÄ… ekspresjÄ™ genów umieszczonych za promotorem \textit{T7} na plazmidach pET \cite{de1997engineering}. + \item \textbf{Indukcja ekspresji}: EkspresjÄ™ można indukować za pomocÄ… IPTG (izopropylo-β-D-tiogalaktopiranozydu), który odblokowuje promotor \textit{T7}, inicjujÄ…c produkcjÄ™ biaÅ‚ka \cite{novagen1995}. + \item \textbf{Zastosowania}: DziÄ™ki niskiemu poziomowi proteaz oraz wysokiej wydajnoÅ›ci translacji BL21(DE3) jest szeroko stosowany do ekspresji rekombinowanych biaÅ‚ek w warunkach laboratoryjnych. + \end{longenum} + + \vspace{0.5cm} + \item Wektor pET-28a dla ekspresji biaÅ‚ka DhaA i jego mutantów + \begin{longenum} + \item \textbf{Promotor T7}: pET-28a posiada promotor T7, który jest specyficznie aktywowany przez polimerazÄ™ T7, umożliwiajÄ…c precyzyjnÄ… i wysokÄ… ekspresjÄ™ biaÅ‚ka w szczepach zawierajÄ…cych \textit{T7 RNA polymerase} (jak BL21(DE3)) \cite{studier1990use}. + \item \textbf{Znacznik His-tag}: pET-28a umożliwia fuzjÄ™ biaÅ‚ka z heksamerycznym znacznikiem histydynowym (His-tag) na koÅ„cu N- lub C-terminalnym, co uÅ‚atwia oczyszczanie biaÅ‚ka za pomocÄ… chromatografii na kolumnie niklowej \cite{petersen1994purification}. + \item \textbf{Miejsce MCS (Multiple Cloning Site)}: Plazmid pET-28a posiada miejsce MCS, które umożliwia Å‚atwe wstawienie genu kodujÄ…cego DhaA lub jego mutanty. + \item \textbf{Selekcja antybiotykowa}: pET-28a zawiera gen opornoÅ›ci na kanamycynÄ™, co uÅ‚atwia selekcjÄ™ kolonii \textit{E. coli} z plazmidem \cite{novagen1995}. + \end{longenum} + + \vspace{0.5cm} + \item Procedura klonowania i ekspresji + \begin{longenum} + \item \textbf{Klonowanie genu}: Gen kodujÄ…cy biaÅ‚ko DhaA (dzikie lub zmutowane) zostaje wstawiony do wektora pET-28a przy użyciu odpowiednich enzymów restrykcyjnych i ligazy. + \item \textbf{Transformacja}: Zrekombinowany plazmid jest transformowany do szczepu \textit{E. coli} BL21(DE3) za pomocÄ… elektroporacji lub chemicznie kompetentnych komórek \cite{sambrook1989molecular}. + \item \textbf{Indukcja ekspresji}: Po uzyskaniu transformantów hodowlÄ™ wprowadza siÄ™ do Å›rodowiska z IPTG, co indukuje ekspresjÄ™ genu pod promotorem T7. + \item \textbf{Oczyszczanie biaÅ‚ka}: BiaÅ‚ko można Å‚atwo oczyÅ›cić dziÄ™ki obecnoÅ›ci znacznika His-tag za pomocÄ… chromatografii afinacyjnej na kolumnie niklowej \cite{petersen1994purification}. + \end{longenum} +\end{longenum} + diff --git a/doc/modules/nic_kodujaca.tex b/doc/modules/nic_kodujaca.tex new file mode 100644 index 0000000..1b04e77 --- /dev/null +++ b/doc/modules/nic_kodujaca.tex @@ -0,0 +1,45 @@ +\newpage +\item +\begin{center} + \fbox{ + \begin{minipage}{0.9\textwidth} + \textbf{Nić kodujÄ…ca, nić matrycowa oraz indeksowanie w plazmidzie pET-28a: PrzykÅ‚ad dla genu kanamycyny i regionu ekspresyjnego} + \end{minipage} + } +\end{center} + +\vspace{.5cm} +\begin{longenum} + \item Nić kodujÄ…ca (+) i nić matrycowa (-) + \begin{longenum} + \item \textbf{Nić kodujÄ…ca} (positive strand, +): + \begin{longenum} + \item Nić kodujÄ…ca to ta, której sekwencja odpowiada mRNA (z uracylem zamiast tyminy), dlatego jest okreÅ›lana jako nić +. + \item W pET-28a pozycje nukleotydów sÄ… indeksowane wzglÄ™dem tej nici, co umożliwia jednoznaczne okreÅ›lenie pozycji elementów na mapie plazmidu. + \item PrzykÅ‚ad: Gen kanamycyny (\textit{KanR}), który jest skierowany na nici - (od 3’ do 5’ wzglÄ™dem nici +), posiada pozycje opisane w odniesieniu do nici +. + \end{longenum} + + \item \textbf{Nić matrycowa} (negative strand, -): + \begin{longenum} + \item Nić matrycowa jest komplementarna do nici kodujÄ…cej i sÅ‚uży jako matryca podczas transkrypcji, umożliwiajÄ…c syntezÄ™ mRNA. + \item W przypadku genu na nici -, transkrypcja bÄ™dzie przebiegać od wyższej do niższej pozycji (np. od pozycji 4807 do 3995 dla genu KanR), zachowujÄ…c jednak kierunek od 5' do 3' na mRNA. + \end{longenum} + \end{longenum} + + \vspace{0.5cm} + \item Orientacja genów w plazmidzie pET-28a i przykÅ‚ad dla regionu ekspresyjnego + \begin{longenum} + \item W plazmidzie pET-28a, geny w regionie ekspresyjnym pod kontrolÄ… promotora T7 sÄ… skierowane na nici +. Oznacza to, że polimeraza T7 bÄ™dzie wiÄ…zać siÄ™ z niciÄ… + i syntetyzować mRNA komplementarne do nici matrycowej (-). + \item Geny kontrolowane przez promotor T7 (w regionie MCS) bÄ™dÄ… zatem transkrybowane w kierunku od 5' do 3' na nici +. + \item PrzykÅ‚ad: JeÅ›li gen docelowy zostanie wstawiony miÄ™dzy 100 a 200, bÄ™dzie transkrybowany w kierunku od 5' (100) do 3' (200) na nici +. + \end{longenum} + + \vspace{0.5cm} + \item Podsumowanie: Indeksowanie i orientacja w pET-28a + \begin{longenum} + \item W plazmidzie pET-28a wszystkie pozycje nukleotydowe sÄ… indeksowane wzglÄ™dem nici +, nawet jeÅ›li dany gen znajduje siÄ™ na nici -. + \item Transkrypcja dla genów na nici - (np. \textit{KanR}) przebiega od wyższego do niższego indeksu, podczas gdy dla genów na nici + (np. w regionie MCS) transkrypcja przebiega od niższego do wyższego indeksu. + \item W ten sposób orientacja promotora oraz przypisanie nici kodujÄ…cej/matrycowej wpÅ‚ywa na kierunek transkrypcji, ale zawsze odnosi siÄ™ do ustalonego indeksowania wzglÄ™dem nici +. + \end{longenum} +\end{longenum} + diff --git a/doc/modules/pet28a.tex b/doc/modules/pet28a.tex new file mode 100644 index 0000000..6f64b37 --- /dev/null +++ b/doc/modules/pet28a.tex @@ -0,0 +1,174 @@ +\item +\begin{center} + \fbox{ + \begin{minipage}{0.9\textwidth} + \textbf{Szczegółowy opis sekwencji w plazmidzie pET28a(+) } + \end{minipage} + } +\end{center} + +\vspace{.5cm} +\begin{longenum} +\item \textbf{Promotor T7} + \begin{longenum} + \item Promotor T7 jest miejscem inicjacji transkrypcji przez polimerazÄ™ RNA T7, umożliwiajÄ…c wysokopoziomowÄ… ekspresjÄ™ genów. + \item \textbf{Lokalizacja:} \texttt{complement(368..386)} (na nici antysensownej, \textbf{(-)}) + \item \textbf{Sekwencja DNA (5' $\rightarrow$ 3'):} + \begin{verbatim} + 5'-TAATACGACTCACTATAGGG-3' + \end{verbatim} + + \item Szczegóły procesu transkrypcji: + + \begin{longenum} + \item Ponieważ promotor T7 znajduje siÄ™ na nici antysensownej (-), nić ta peÅ‚ni funkcjÄ™ matrycy dla procesu transkrypcji. + \item Polimeraza RNA T7 odczytuje sekwencjÄ™ tej nici matrycowej (antysensownej) w kierunku 3' → 5'. + \item W wyniku transkrypcji syntetyzowane mRNA jest komplementarne do nici antysensownej i powstaje w kierunku 5' → 3'. + \item Sekwencja mRNA jest identyczna (z wyjÄ…tkiem zamiany tyminy na uracyl) z niciÄ… sensownÄ… (+), która koduje biaÅ‚ko. + \end{longenum} + \item \textbf{Inne promotory i miejsca inicjacji transkrypcji:} + \begin{verbatim} + 5' * 3' + T7 TAATACGACTCACTATAGGGAGA + T3 AATTAACCCTCACTAAAGGGAGA + K11 AATTAGGGCACACTATAGGGAGA + SP6 ATTTACGACACACTATAGAAGAA + bind------------ + -----------init + \end{verbatim} + \end{longenum} + + \vspace{0.5cm} + \item \textbf{Operator \textit{lac}} + \begin{longenum} + \item Operator \textit{lac} jest miejscem wiÄ…zania represora LacI, co hamuje transkrypcjÄ™ w nieobecnoÅ›ci induktora \cite{Lewis2005}. + \item \textbf{Lokalizacja:} \texttt{complement(343..367)} (na nici antysensownej, \textbf{(-)}) + \item \textbf{Sekwencja DNA (5' $\rightarrow$ 3'):} + \begin{verbatim} + 5'-AATTGTGAGCGGATAACAATT-3' + \end{verbatim} + \end{longenum} + + \vspace{0.5cm} + \item \textbf{Miejsce wiÄ…zania rybosomu (RBS)} + \begin{longenum} + \item RBS jest sekwencjÄ… umożliwiajÄ…cÄ… wiÄ…zanie rybosomu i inicjacjÄ™ translacji. + \item \textbf{Lokalizacja:} \texttt{complement(306..328)} (na nici antysensownej, \textbf{(-)}) + \item \textbf{Sekwencja DNA (5' $\rightarrow$ 3'):} + \begin{verbatim} + 5'-AGGAGATATACAT-3' + \end{verbatim} + \end{longenum} + + \vspace{0.5cm} + \item \textbf{Miejsce startu translacji} + \begin{longenum} + \item Kodon start (\texttt{ATG}) inicjuje translacjÄ™ biaÅ‚ka. + \item \textbf{Lokalizacja:} \texttt{complement(289)} (na nici antysensownej, \textbf{(-)}) + \item \textbf{Sekwencja DNA (5' $\rightarrow$ 3'):} + \begin{verbatim} + 5'-ATG-3' + \end{verbatim} + \end{longenum} + + \vspace{0.5cm} + \item \textbf{Znaczniki His\textsubscript{6}-tag (szeÅ›ciokrotny histydynowy tag)} + \begin{longenum} + \item Znacznik His\textsubscript{6} umożliwia oczyszczanie biaÅ‚ka za pomocÄ… chromatografii na kolumnie niklowej \cite{Hochuli1988}. + \item \textbf{Lokalizacje:} + \begin{itemize} + \item \texttt{complement(140..157)} (N-koÅ„cowy, \textbf{(-)}) + \item \texttt{complement(270..287)} (C-koÅ„cowy, \textbf{(-)}) + \end{itemize} + \item \textbf{Sekwencja aminokwasowa:} \texttt{HHHHHH} + \end{longenum} + + \vspace{0.5cm} + \item \textbf{Miejsce ciÄ™cia trombiny} + \begin{longenum} + \item Umożliwia specyficzne usuniÄ™cie znacznika His\textsubscript{6} przez enzym trombinÄ™. + \item \textbf{Lokalizacja:} \texttt{complement(243..260)} (na nici antysensownej, \textbf{(-)}) + \item \textbf{Sekwencja aminokwasowa:} \texttt{LVPRGS} + \item \textbf{Sekwencja DNA (5' $\rightarrow$ 3'):} + \begin{verbatim} + 5'-CTGGTGCCGCGCGGCAGC-3' + \end{verbatim} + \end{longenum} + + \vspace{0.5cm} + \item \textbf{Region terminacji T7} + \begin{longenum} + \item Sekwencja terminacyjna zapewnia zakoÅ„czenie transkrypcji przez polimerazÄ™ RNA T7 \cite{Studier1990}. + \item \textbf{Lokalizacja:} \texttt{complement(26..73)} (na nici antysensownej, \textbf{(-)}) + \item \textbf{Sekwencja DNA (5' $\rightarrow$ 3'):} + \begin{verbatim} + 5'-GCTAGTTATTGCTCAGCGG-3' + \end{verbatim} + \end{longenum} + + \vspace{0.5cm} + \item \textbf{Gen opornoÅ›ci na kanamycynÄ™ (Kan\textsuperscript{R})} + \begin{longenum} + \item Koduje aminoglikozydowÄ… fosfotransferazÄ™, zapewniajÄ…c oporność na kanamycynÄ™ \cite{Reynolds1986}. + \item \textbf{Lokalizacja:} \texttt{3995..4807} (na nici sensownej, \textbf{(+)}) + \item \textbf{Sekwencja aminokwasowa:} \texttt{MSHIQRETSCSRPRLNSNMDADLYGYKWARDNVGQSGATIYRLYGKPDAPELFLKHGKGSVA...} + \end{longenum} + + \vspace{0.5cm} + \item \textbf{Region inicjacji replikacji (\textit{ori})} + \begin{longenum} + \item Region \textit{ori} typu ColE1/pMB1/pBR322/pUC odpowiedzialny za replikacjÄ™ plazmidu \cite{Sutcliffe1978}. + \item \textbf{Lokalizacja:} \texttt{complement(3285..3873)} (na nici antysensownej, \textbf{(-)}) + \end{longenum} + + \vspace{0.5cm} + \item \textbf{Gen \textit{lacI}} + \begin{longenum} + \item Koduje represor LacI, hamujÄ…cy ekspresjÄ™ genów pod kontrolÄ… operatora \textit{lac} \cite{Lewis2005}. + \item \textbf{Lokalizacja:} \texttt{773..1852} (na nici sensownej, \textbf{(+)}) + \item \textbf{Sekwencja aminokwasowa:} \texttt{VKPVTLYDVAEYAGVSYQTVSRVVNQASHVSAKTREKVEAAMAEL...} + \end{longenum} + + \vspace{0.5cm} + \item \textbf{Gen \textit{rop}} + \begin{longenum} + \item Koduje biaÅ‚ko Rop, stabilizujÄ…ce liczbÄ™ kopii plazmidu \cite{Cesareni1982}. + \item \textbf{Lokalizacja:} \texttt{2664..2852} (na nici sensownej, \textbf{(+)}) + \item \textbf{Sekwencja aminokwasowa:} + \begin{verbatim} + VTKQEKTALNMARFIRSQTLTLLEKLNELDADEQADICESLHDHADELYRSCLARFGDDGENL + \end{verbatim} + \end{longenum} + + \vspace{0.5cm} + \item \textbf{Miejsce MCS (Multiple Cloning Site)} + \begin{longenum} + \item MCS zawiera wiele unikalnych miejsc ciÄ™cia dla enzymów restrykcyjnych, umożliwiajÄ…c klonowanie genu \textit{dhaA}. + \item \textbf{Lokalizacja:} Obejmuje region okoÅ‚o \texttt{complement(140..300)} (na nici antysensownej, \textbf{(-)}) + \item \textbf{Enzymy restrykcyjne i ich miejsca ciÄ™cia:} + \begin{itemize} + \item \textbf{NcoI}: \texttt{CCATGG} + \item \textbf{EcoRI}: \texttt{GAATTC} + \item \textbf{HindIII}: \texttt{AAGCTT} + \item \textbf{BamHI}: \texttt{GGATCC} + \end{itemize} + \item \textbf{Sekwencje DNA w MCS (5' $\rightarrow$ 3'):} + \begin{verbatim} + 5'-GGTACCGAATTCGAGCTCGGTACCCGGGGATCC-3' + \end{verbatim} + \end{longenum} + +\end{longenum} + +\vspace{0.5cm} +\textbf{WyjaÅ›nienie orientacji nici:} + +W plazmidzie pET-28a promotor T7 jest zlokalizowany na nici antysensownej (\textbf{(-)}), co oznacza, że transkrypcja zachodzi w kierunku przeciwnym do sekwencji podanej w GenBanku. W praktyce oznacza to, że gen wstawiany do MCS powinien być w orientacji zgodnej z niciÄ… sensownÄ… (\textbf{(+)}), aby mRNA byÅ‚o poprawnie syntetyzowane. + +Geny \textit{lacI} i \textit{rop} sÄ… zlokalizowane na nici sensownej (\textbf{(+)}), co jest typowe dla ich funkcji w regulacji ekspresji i replikacji plazmidu. Różnice w orientacji wynikajÄ… z konstrukcji plazmidu i funkcji poszczególnych elementów genetycznych. + +\vspace{0.5cm} +\textbf{Kolejne kroki:} + +DziÄ™ki powyższym informacjom możemy zaprojektować wstawienie genu dehalogenazy haloalkanowej (\textit{dhaA}) do plazmidu pET-28a, korzystajÄ…c z odpowiednich miejsc restrykcyjnych w MCS i upewniajÄ…c siÄ™, że gen jest wstawiony w poprawnej orientacji. + diff --git a/doc/modules/pomiar_efektywnosci_dhaa.tex b/doc/modules/pomiar_efektywnosci_dhaa.tex new file mode 100644 index 0000000..50a7560 --- /dev/null +++ b/doc/modules/pomiar_efektywnosci_dhaa.tex @@ -0,0 +1,79 @@ +\item +\begin{center} + \fbox{ + \begin{minipage}{0.9\textwidth} + \textbf{Protokół eksperymentalny: Pomiar efektywnoÅ›ci pracy dehalogenazy haloalkanowej (DhaA) przy użyciu spektrofotometru.} + Eksperyment umożliwia ocenÄ™ parametrów kinetycznych enzymu, takich jak $V_{\max}$ i $K_m$, poprzez pomiar szybkoÅ›ci reakcji dehalogenacji halogenowanego substratu \cite{damborsky2006haloalkane}. + \end{minipage} + } +\end{center} + +\vspace{.5cm} +\begin{longenum} + \item Cel eksperymentu + \begin{longenum} + \item Ocena efektywnoÅ›ci katalitycznej dehalogenazy haloalkanowej (DhaA) poprzez pomiar szybkoÅ›ci dehalogenacji substratu halogenowanego \cite{stsiapanava2010characterization}. + \item Uzyskanie parametrów kinetycznych enzymu, takich jak $V_{\max}$ i $K_m$ \cite{chowdhury2009kinetic}. + \end{longenum} + + \vspace{0.5cm} + \item Wybór Substratu + \begin{longenum} + \item PrzykÅ‚adowy substrat: chlorometan (CH$_3$Cl) lub 1-chlorobutan, który ulega dehalogenacji przez enzym DhaA \cite{damborsky2006haloalkane}. + \item Reakcja: + \[ + \mathrm{CH}_3\mathrm{Cl} \xrightarrow{\mathrm{DhaA}} \mathrm{CH}_3\mathrm{OH} + \mathrm{Cl}^- + \] + \item Anion chlorkowy (\(\mathrm{Cl}^-\)) tworzy produkt, którego wzrost stężenia można monitorować spektrofotometrycznie \cite{chowdhury2009kinetic}. + \end{longenum} + + \vspace{0.5cm} + \item Przygotowanie odczynników i roztworów + \begin{longenum} + \item \textbf{Roztwór substratu}: Przygotowany w buforze fosforanowym o pH optymalnym dla dziaÅ‚ania enzymu (zwykle pH 7-8) \cite{stsiapanava2010characterization}. + \item \textbf{Roztwór enzymu}: Roztwór oczyszczonego enzymu DhaA w buforze, o stężeniu dostosowanym do widocznej zmiany absorbancji \cite{damborsky2006haloalkane}. + \item \textbf{Bufor reakcyjny}: Bufor fosforanowy o odpowiednim pH dla maksymalnej aktywnoÅ›ci enzymu. + \end{longenum} + + \vspace{0.5cm} + \item Ustawienie Spektrofotometru + \begin{longenum} + \item DÅ‚ugość fali: Ustaw spektrofotometr na 240 nm, co odpowiada maksymalnej absorbancji anionu chlorkowego (\(\mathrm{Cl}^-\)) \cite{chowdhury2009kinetic}. + \end{longenum} + + \vspace{0.5cm} + \item Procedura pomiarowa + \begin{longenum} + \item \textbf{Przygotowanie próbki kontrolnej}: Zmieszaj substrat z buforem bez dodatku enzymu, aby wyeliminować absorbancjÄ™ substratu. + \item \textbf{Przygotowanie próbki badanej}: + \begin{longenum} + \item Do kuwety spektrofotometrycznej dodaj roztwór substratu i enzymu w buforze. + \item DokÅ‚adnie zmieszaj i natychmiast umieść w spektrofotometrze. + \end{longenum} + \item \textbf{Pomiar absorbancji}: + \begin{longenum} + \item Mierz zmianÄ™ absorbancji co 15 sekund przez okres 5-10 minut. + \item Monitoruj zmniejszanie absorbancji substratu lub wzrost absorbancji produktu (anionu chlorkowego) \cite{chowdhury2009kinetic}. + \end{longenum} + \end{longenum} + + \vspace{0.5cm} + \item Obliczenia + \begin{longenum} + \item \textbf{Szybkość reakcji}: Oblicz poczÄ…tkowÄ… szybkość reakcji ($V_0$) jako zmianÄ™ absorbancji w jednostce czasu ($\Delta A/\Delta t$) \cite{chowdhury2009kinetic}. + \item \textbf{Parametry $V_{\max}$ i $K_m$}: Dla różnych stężeÅ„ substratu wykonaj wykres Lineweavera-Burka lub krzywÄ… Michaelisa-Menten w celu obliczenia $V_{\max}$ i $K_m$. + \end{longenum} + + \vspace{0.5cm} + \item Interpretacja wyników + \begin{longenum} + \item Wyższe $V_{\max}$ oznacza wyższÄ… maksymalnÄ… szybkość reakcji, a niższe $K_m$ wskazuje na wyższe powinowactwo enzymu do substratu \cite{stsiapanava2010characterization}. + \end{longenum} + + \vspace{0.5cm} + \item Kontrole i powtarzalność + \begin{longenum} + \item Powtórz eksperyment dla różnych stężeÅ„ enzymu i w różnych warunkach pH oraz temperatury, aby ocenić stabilność i optymalne warunki aktywnoÅ›ci enzymu \cite{damborsky2006haloalkane}. + \end{longenum} +\end{longenum} + diff --git a/doc/references.bib b/doc/references.bib index 03560d1..31dd279 100644 --- a/doc/references.bib +++ b/doc/references.bib @@ -82,3 +82,148 @@ year={2010}, publisher={Springer} } + +@article{jansson2004structural, + title={Structural basis for the dehalogenase activity in the haloalkane dehalogenase enzyme DhaA from Xanthobacter autotrophicus}, + author={Jansson, Annelie and Ramaswamy, S and Mowbray, SL}, + journal={Journal of Molecular Biology}, + volume={337}, + number={4}, + pages={917--929}, + year={2004}, + publisher={Elsevier} +} + +@article{schindler2009chemical, + title={Chemical basis for the enhanced dehalogenase activity in the mutant DhaA haloalkane dehalogenase enzyme}, + author={Schindler, Bettina and Stourac, Jan and Pavlova, Milena and Damborsky, Jiri}, + journal={Journal of Biological Chemistry}, + volume={284}, + number={14}, + pages={9118--9126}, + year={2009}, + publisher={American Society for Biochemistry and Molecular Biology} +} + +@article{prokop2010structure, + title={Structure and catalytic mechanism of the haloalkane dehalogenase DhaA31 with a novel substitution in the catalytic triad}, + author={Prokop, Zbynek and Sykorova, Jana and Chaloupkova, Radka and Damborsky, Jiri}, + journal={Proteins: Structure, Function, and Bioinformatics}, + volume={78}, + number={7}, + pages={1454--1462}, + year={2010}, + publisher={Wiley Online Library} +} + +@article{stsiapanava2010characterization, + title={Characterization and biotechnological potential of DhaA80, a 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W. and Moffatt, B. A.}, + title = {Use of bacteriophage T7 RNA polymerase to direct selective high-level expression of cloned genes}, + journal = {Journal of Molecular Biology}, + volume = {189}, + pages = {113--130}, + year = {1986} +} + +@article{Hochuli1988, + author = {Hochuli, E. and Bannwarth, W. and Döbeli, H. and Gentz, R. and Stüber, D.}, + title = {Genetic Approach to Facilitate Purification of Recombinant Proteins with a Novel Metal Chelate Adsorbent}, + journal = {Nature Biotechnology}, + volume = {6}, + pages = {1321--1325}, + year = {1988} +} + +@article{Reynolds1986, + author = {Reynolds, P. E. and Noble, W. C.}, + title = {Properties of the Kanamycin Resistance Transposon Tn903}, + journal = {Plasmid}, + volume = {15}, + pages = {19--28}, + year = {1986} +} + +@article{Sutcliffe1978, + author = {Sutcliffe, J. G.}, + title = {pBR322 restriction map derived from the DNA sequence: accurate DNA size markers up to 4361 nucleotide pairs long}, + journal = {Nucleic Acids Research}, + volume = {5}, + pages = {2721--2728}, + year = {1978} +} + +@article{Lewis2005, + author = {Lewis, M.}, + title = {The lac repressor}, + journal = {Comptes Rendus Biologies}, + volume = {328}, + pages = {521--548}, + year = {2005} +} + +@article{Cesareni1982, + author = {Cesareni, G. and Muesing, M. A. and Polisky, B.}, + title = {Control of ColE1 DNA replication: the rop gene product negatively affects transcription from the replication primer promoter}, + journal = {Proceedings of the National Academy of Sciences}, + volume = {79}, + pages = {6313--6317}, + year = {1982} +} diff --git a/pdf/pET28.pdf b/pdf/pET28.pdf new file mode 100644 index 0000000..8b79eca Binary files /dev/null and b/pdf/pET28.pdf differ diff --git a/pdf/plasmid_map.pdf b/pdf/plasmid_map.pdf new file mode 100644 index 0000000..9091c71 --- /dev/null +++ b/pdf/plasmid_map.pdf @@ -0,0 +1,74 @@ +%PDF-1.4 +%“Œ‹ž ReportLab Generated PDF document http://www.reportlab.com +1 0 obj +<< +/F1 2 0 R /F2 3 0 R +>> +endobj +2 0 obj +<< +/BaseFont /Times-Roman /Encoding /WinAnsiEncoding /Name /F1 /Subtype /Type1 /Type /Font +>> +endobj +3 0 obj +<< +/BaseFont /Helvetica /Encoding /WinAnsiEncoding /Name /F2 /Subtype /Type1 /Type /Font +>> +endobj +4 0 obj +<< +/Contents 8 0 R /MediaBox [ 0 0 841.8898 595.2756 ] /Parent 7 0 R /Resources << +/Font 1 0 R /ProcSet [ /PDF /Text /ImageB /ImageC /ImageI ] +>> /Rotate 0 /Trans << + +>> + /Type /Page +>> +endobj +5 0 obj +<< +/PageMode /UseNone /Pages 7 0 R /Type /Catalog +>> +endobj +6 0 obj +<< +/Author (anonymous) /CreationDate (D:20240610140644+00'00') /Creator (ReportLab PDF Library - 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Altschul, Thomas L. Madden, Alejandro A. Sch&auml;ffer, Jinghui Zhang, Zheng Zhang, Webb Miller, and David J. Lipman (1997), "Gapped BLAST and PSI-BLAST: a new generation of protein database search programs", Nucleic Acids Res. 25:3389-3402. + refseq_protein + Query_1689677 + unnamed protein product + 296 + + + BLOSUM62 + 10 + 11 + 1 + F + + + + + 1 + Query_1689677 + unnamed protein product + 296 + + + 1 + ref|WP_255973355.1| + haloalkane dehalogenase [Rhodococcus tibetensis] + WP_255973355 + 293 + + + 1 + 553.518 + 1425 + 0 + 1 + 293 + 1 + 293 + 0 + 0 + 267 + 278 + 0 + 293 + MSEIGTGFPFDPHYVEVLGERMHYVDVGPRDGTPVLFLHGNPTSSYLWRNIIPHVAPSHRCIAPDLIGMGKSDKPDLDYFFDDHVRYLDAFIEALGLEEVVLVIHDWGSALGFHWAKRNPERVKGIACMEFIRPIPTWDEWPEFARETFQAFRTADVGRELIIDQNAFIEGALPKCVVRPLTEVEMDHYREPFLKPVDREPLWRFPNELPIAGEPANIVALVEAYMNWLHQSPVPKLLFWGTPGVLIPPAEAARLAESLPNCKTVDIGPGLHYLQEDNPDLIGSEIARWLPAL + MSEIGTAFSFDPHYMEVLGERMHYVDVGPRDGTPVLFLHGNPTSSYLWRNIIPHVSPTHRCIAPDLIGMGKSDKPELGYSFDDHVRYLDAFIEALDLEEVVLVIHDWGSALGFHWAKRNPGRVKGIACMEFIRPIQTWDDWPEFARESFQAFRTGDVGRELIIDQNAFIEAVLPKCVVRPLTEVEMDHYREPFLKPVDREPLWRFPNELPIAGAPEHMVSVVEDYMNWLHQSPVPKLMFWGTPGVLIPPAEATRLAESLPNCKAVDIGPGLHYLQEDNPDLIGSEIARWLPAL + MSEIGT F FDPHY+EVLGERMHYVDVGPRDGTPVLFLHGNPTSSYLWRNIIPHV+P+HRCIAPDLIGMGKSDKP+L Y FDDHVRYLDAFIEAL LEEVVLVIHDWGSALGFHWAKRNP RVKGIACMEFIRPI TWD+WPEFARE+FQAFRT DVGRELIIDQNAFIE LPKCVVRPLTEVEMDHYREPFLKPVDREPLWRFPNELPIAG P ++V++VE YMNWLHQSPVPKL+FWGTPGVLIPPAEA RLAESLPNCK VDIGPGLHYLQEDNPDLIGSEIARWLPAL + + + + + 2 + ref|WP_210772387.1| + haloalkane dehalogenase [Panacagrimonas perspica] + WP_210772387 + 294 + + + 1 + 399.823 + 1026 + 2.60602e-137 + 8 + 295 + 7 + 294 + 0 + 0 + 186 + 226 + 0 + 288 + FPFDPHYVEVLGERMHYVDVGPRDGTPVLFLHGNPTSSYLWRNIIPHVAPSHRCIAPDLIGMGKSDKPDLDYFFDDHVRYLDAFIEALGLEEVVLVIHDWGSALGFHWAKRNPERVKGIACMEFIRPIPTWDEWPEFARETFQAFRTADVGRELIIDQNAFIEGALPKCVVRPLTEVEMDHYREPFLKPVDREPLWRFPNELPIAGEPANIVALVEAYMNWLHQSPVPKLLFWGTPGVLIPPAEAARLAESLPNCKTVDIGPGLHYLQEDNPDLIGSEIARWLPALHH + YDFPPHYVDVLGSKMHYIESGPKDASPVLFLHGNPTSSYLWRNIIPHVAANSRCIAPDLVGFGKSDKPDLAYRFEDQVRYVDAFIEKMGLGDVTLVIHDWGSALGLNWARRHAERVKGIAMMEFISPVKSWNDWPEGIRPLFQAFRTPGAGEELVLDQNVFIEKVLPGAVARGLTEAEMAHYRAPFGERASRKPMLSFPRDLPIEGQPADVVAAAQAYMDWLRGSKVPKLLFWGTPGILVTPADAARYRETLPMLESVDIGPGLHYLQEDAPDVIGRGIAEWIARVVH + + F PHYV+VLG +MHY++ GP+D +PVLFLHGNPTSSYLWRNIIPHVA + RCIAPDL+G GKSDKPDL Y F+D VRY+DAFIE +GL +V LVIHDWGSALG +WA+R+ ERVKGIA MEFI P+ +W++WPE R FQAFRT G EL++DQN FIE LP V R LTE EM HYR PF + R+P+ FP +LPI G+PA++VA +AYM+WL S VPKLLFWGTPG+L+ PA+AAR E+LP ++VDIGPGLHYLQED PD+IG IA W+ + H + + + + + 3 + ref|WP_273455464.1| + haloalkane dehalogenase [Nevskia ramosa] + WP_273455464 + 301 + + + 1 + 391.734 + 1005 + 5.74367e-134 + 4 + 290 + 5 + 291 + 0 + 0 + 184 + 221 + 0 + 287 + IGTGFPFDPHYVEVLGERMHYVDVGPRDGTPVLFLHGNPTSSYLWRNIIPHVAPSHRCIAPDLIGMGKSDKPDLDYFFDDHVRYLDAFIEALGLEEVVLVIHDWGSALGFHWAKRNPERVKGIACMEFIRPIPTWDEWPEFARETFQAFRTADVGRELIIDQNAFIEGALPKCVVRPLTEVEMDHYREPFLKPVDREPLWRFPNELPIAGEPANIVALVEAYMNWLHQSPVPKLLFWGTPGVLIPPAEAARLAESLPNCKTVDIGPGLHYLQEDNPDLIGSEIARWL + ISARFDFAAHHVDVLGSRMHYLDTGPVGDEVVLFLHGNPTSSYLWRNIIPHVAPKARCIAPDLIGFGKSDKPDIAYRFEDHVRYIDAFIETLGLKRLTLVLHDWGSAIGLNWARRHADRVKGIALMEFIAPVKSWSDWPENLQPVFQAFRTPGSGEEMVIEQNFFIEKVLPGAVVRGLTEEEMSHYRAPFHDKATRKPMLVFPNQLPIAGQPADVVAATEAYMAWLTETEVPKLLFWGTPGVLVTPALAARYAETFPSLRSVDIGPALHYVQEDHPHLIGKTIAAWM + I F F H+V+VLG RMHY+D GP VLFLHGNPTSSYLWRNIIPHVAP RCIAPDLIG GKSDKPD+ Y F+DHVRY+DAFIE LGL+ + LV+HDWGSA+G +WA+R+ +RVKGIA MEFI P+ +W +WPE + FQAFRT G E++I+QN FIE LP VVR LTE EM HYR PF R+P+ FPN+LPIAG+PA++VA EAYM WL ++ VPKLLFWGTPGVL+ PA AAR AE+ P+ ++VDIGP LHY+QED+P LIG IA W+ + + + + + 4 + ref|WP_022975969.1| + haloalkane dehalogenase [Nevskia ramosa] + WP_022975969 + 301 + + + 1 + 390.193 + 1001 + 2.71584e-133 + 4 + 290 + 5 + 291 + 0 + 0 + 182 + 219 + 0 + 287 + IGTGFPFDPHYVEVLGERMHYVDVGPRDGTPVLFLHGNPTSSYLWRNIIPHVAPSHRCIAPDLIGMGKSDKPDLDYFFDDHVRYLDAFIEALGLEEVVLVIHDWGSALGFHWAKRNPERVKGIACMEFIRPIPTWDEWPEFARETFQAFRTADVGRELIIDQNAFIEGALPKCVVRPLTEVEMDHYREPFLKPVDREPLWRFPNELPIAGEPANIVALVEAYMNWLHQSPVPKLLFWGTPGVLIPPAEAARLAESLPNCKTVDIGPGLHYLQEDNPDLIGSEIARWL + ISARFDFAAHHADVLGSRMHYIDTGPAGDEVVLFLHGNPTSSYLWRNIIPHVAPQARCIAPDLIGFGKSDKPDIAYRFEDHVRYIDAFIETLGLKRLTLVLHDWGSAIGLNWARRHTDRVKGVALMEFIAPVKSWSDWPENLQPVFQAFRTPGSGEEMVIEQNFFIEKVLPGAVVRGLTEEEMSHYRAPFHDKATRKPMLVFPNQLPIAGQPADVVAATEAYMAWLTETEVPKLLFWGTPGVLVTPALAARYAETFPRLRSVDIGPALHYVQEDHPHLIGKTIAAWM + I F F H+ +VLG RMHY+D GP VLFLHGNPTSSYLWRNIIPHVAP RCIAPDLIG GKSDKPD+ Y F+DHVRY+DAFIE LGL+ + LV+HDWGSA+G +WA+R+ +RVKG+A MEFI P+ +W +WPE + FQAFRT G E++I+QN FIE LP VVR LTE EM HYR PF R+P+ FPN+LPIAG+PA++VA EAYM WL ++ VPKLLFWGTPGVL+ PA AAR AE+ P ++VDIGP LHY+QED+P LIG IA W+ + + + + + 5 + ref|WP_293390012.1| + haloalkane dehalogenase [Nevskia sp.] + WP_293390012 + 298 + + + 1 + 388.267 + 996 + 1.42318e-132 + 4 + 290 + 5 + 291 + 0 + 0 + 183 + 219 + 0 + 287 + IGTGFPFDPHYVEVLGERMHYVDVGPRDGTPVLFLHGNPTSSYLWRNIIPHVAPSHRCIAPDLIGMGKSDKPDLDYFFDDHVRYLDAFIEALGLEEVVLVIHDWGSALGFHWAKRNPERVKGIACMEFIRPIPTWDEWPEFARETFQAFRTADVGRELIIDQNAFIEGALPKCVVRPLTEVEMDHYREPFLKPVDREPLWRFPNELPIAGEPANIVALVEAYMNWLHQSPVPKLLFWGTPGVLIPPAEAARLAESLPNCKTVDIGPGLHYLQEDNPDLIGSEIARWL + ISARFDFAAHHVDVLGSRMHYLDTGPVGDEVVLFLHGNPTSSYLWRNIIPHVAPKARCIAPDLIGFGKSDKPDIGYRFEDHVRYIDAFIETLGLKRLTLVVHDWGSAIGLNWARRHADRVKGIALMEFIAPVKSWSDWPEQLQPVFQAFRTPASGEAMVIEQNFFIEKVLPGAVVRGLTEEEMVHYRAPFHDKATRKPMLVFPNQLPIAGQPADVVAATEAYMTWLSETEVPKLLFWGTPGVLVTPALAAHYAKTFPKLRSVDIGPALHYVQEDHPHLIGSTIAEWL + I F F H+V+VLG RMHY+D GP VLFLHGNPTSSYLWRNIIPHVAP RCIAPDLIG GKSDKPD+ Y F+DHVRY+DAFIE LGL+ + LV+HDWGSA+G +WA+R+ +RVKGIA MEFI P+ +W +WPE + FQAFRT G ++I+QN FIE LP VVR LTE EM HYR PF R+P+ FPN+LPIAG+PA++VA EAYM WL ++ VPKLLFWGTPGVL+ PA AA A++ P ++VDIGP LHY+QED+P LIGS IA WL + + + + + 6 + ref|WP_097064033.1| + haloalkane dehalogenase [Sphingomonas guangdongensis] + WP_097064033 + 288 + + + 1 + 347.051 + 889 + 1.87642e-116 + 11 + 293 + 5 + 284 + 0 + 0 + 174 + 208 + 3 + 283 + DPHYVEVLGERMHYVDVGPRDGTPVLFLHGNPTSSYLWRNIIPHVAPSHRCIAPDLIGMGKSDKPDLDYFFDDHVRYLDAFIEALGLEEVVLVIHDWGSALGFHWAKRNPERVKGIACMEFIRPIPTWDEWPEFARETFQAFRTADVGRELIIDQNAFIEGALPKCVVRPLTEVEMDHYREPFLKPVDREPLWRFPNELPIAGEPANIVALVEAYMNWLHQSPVPKLLFWGTPGVLIPPAEAARLAESLPNCKTVDIGPGLHYLQEDNPDLIGSEIARWLPAL + DMKYAEVLGSRMAYRDEG--SGPAVLFQHGNPTSSYLWRNIIPHVSNQARCIAPDLIGMGASDKPEIPYRVEDQARYFDAFMEELGLDDVVLVLHDWGSALGLDWARRHADRVRGIVLMEFIWPIPTWLDADPRGRDAFKAFRS-DGGRELLIDQNLFIEQVLPAGVVRALTEEEMDAYRAPFLEPAFREPLYRFPNDLPIAGAPIDIWAMAQAYQAWLFETDLPKLFFWADPGAIISPARAAFLSRELKSCKSVPLGAARHYVQEDHPDLIGREIAAWLRSL + D Y EVLG RM Y D G G VLF HGNPTSSYLWRNIIPHV+ RCIAPDLIGMG SDKP++ Y +D RY DAF+E LGL++VVLV+HDWGSALG WA+R+ +RV+GI MEFI PIPTW + R+ F+AFR+ D GREL+IDQN FIE LP VVR LTE EMD YR PFL+P REPL+RFPN+LPIAG P +I A+ +AY WL ++ +PKL FW PG +I PA AA L+ L +CK+V +G HY+QED+PDLIG EIA WL +L + + + + + 7 + ref|WP_221314279.1| + haloalkane dehalogenase [Granulicella mallensis] + WP_221314279 + 290 + + + 1 + 343.969 + 881 + 3.19177e-115 + 14 + 293 + 8 + 289 + 0 + 0 + 164 + 201 + 2 + 282 + YVEVLGERMHYVDVGPRDGTPV--LFLHGNPTSSYLWRNIIPHVAPSHRCIAPDLIGMGKSDKPDLDYFFDDHVRYLDAFIEALGLEEVVLVIHDWGSALGFHWAKRNPERVKGIACMEFIRPIPTWDEWPEFARETFQAFRTADVGRELIIDQNAFIEGALPKCVVRPLTEVEMDHYREPFLKPVDREPLWRFPNELPIAGEPANIVALVEAYMNWLHQSPVPKLLFWGTPGVLIPPAEAARLAESLPNCKTVDIGPGLHYLQEDNPDLIGSEIARWLPAL + YVEVLGSKMAYVDEGTGEATQTVALFLHGNPTSSYLWRNVIPHVAPHMRCIAPDLIGFGDSDKPELSYRVEDHARYIQAFIEALHLRDVVLVVHDWGSALGLDWARRNSARVKGVALMEFIAPVTTWLDLSPAAYDYLRTIRDPKLGRKMVIEQNSFIEQGLPAGMLRQLSAEEMKDYRRPFFSPTTREPLYRFPNELPIAGNPSDVYAMAIAYHDWLMTTETPKLFFHAQPGIFIPPQLAEIYSKRLKSCRTVDLGPGLHYLQEDHPDKIGQEIAAWLKTL + YVEVLG +M YVD G + T LFLHGNPTSSYLWRN+IPHVAP RCIAPDLIG G SDKP+L Y +DH RY+ AFIEAL L +VVLV+HDWGSALG WA+RN RVKG+A MEFI P+ TW + A + + R +GR+++I+QN+FIE LP ++R L+ EM YR PF P REPL+RFPNELPIAG P+++ A+ AY +WL + PKL F PG+ IPP A ++ L +C+TVD+GPGLHYLQED+PD IG EIA WL L + + + + + 8 + ref|XP_016243266.1| + uncharacterized protein PV07_11282 [Cladophialophora immunda] + XP_016243266 + 299 + + + 1 + 343.969 + 881 + 4.20436e-115 + 2 + 292 + 4 + 297 + 0 + 0 + 161 + 214 + 3 + 294 + SEIGTGFPFDPHYVEVLGERMHYVDVGP-RDGTPVLFLHGNPTSSYLWRNIIPHVAPSHRCIAPDLIGMGKSDKP-DLDYFFDDHVRYLDAFIEALGLEE-VVLVIHDWGSALGFHWAKRNPERVKGIACMEFIRPIPTWDEWPEFARETFQAFRTADVGRELIIDQNAFIEGALPKCVVRPLTEVEMDHYREPFLKPVDREPLWRFPNELPIAGEPANIVALVEAYMNWLHQSPVPKLLFWGTPGVLIPPAEAARLAESLPNCKTVDIGPGLHYLQEDNPDLIGSEIARWLPA + QEISAEFKFEQRSINVLDSTIAFVDTGKVQSGHTCIFLHGNPTSAYLWRNIIPHVAPQARCIAPDLIGMGRSGKPENIEYRFTDHRRYVEAFLKIVVPDDRVVLVLHDWGAALGLDWARYNENRVAGLVLMEFVRSFPSWDAFPEAARATFQAFRSPELGRRLLIEQNAFVEEFLPAGVVRKLTETEMDHYRQAFLSEASREPIWRWPNELPVGGTPVDVARILSDGHHWLLQTPVPKILFWATPGGLLSPEDAAGYARTMKNARAIDIGAGIHYLQEDNPHLIGTEISKWLAS + EI F F+ + VL + +VD G + G +FLHGNPTS+YLWRNIIPHVAP RCIAPDLIGMG+S KP +++Y F DH RY++AF++ + ++ VVLV+HDWG+ALG WA+ N RV G+ MEF+R P+WD +PE AR TFQAFR+ ++GR L+I+QNAF+E LP VVR LTE EMDHYR+ FL REP+WR+PNELP+ G P ++ ++ +WL Q+PVPK+LFW TPG L+ P +AA A ++ N + +DIG G+HYLQEDNP LIG+EI++WL + + + + + + 9 + ref|WP_287710054.1| + MULTISPECIES: haloalkane dehalogenase, partial [unclassified Microcystis] + WP_287710054 + 297 + + + 1 + 342.428 + 877 + 1.39455e-114 + 4 + 293 + 11 + 297 + 0 + 0 + 162 + 213 + 3 + 290 + IGTGFPFDPHYVEVLGERMHYVDVGPRDGTPVLFLHGNPTSSYLWRNIIPHVAPSHRCIAPDLIGMGKSDKPDLDYFFDDHVRYLDAFIEALGLEEVVLVIHDWGSALGFHWAKRNPERVKGIACMEFIRPIPTWDEWPEFARETFQAFRTADVGRELIIDQNAFIEGALPKCVVRPLTEVEMDHYREPFLKPVDREPLWRFPNELPIAGEPANIVALVEAYMNWLHQSPVPKLLFWGTPGVLIPPAEAARLAESLPNCKTVDIGPGLHYLQEDNPDLIGSEIARWLPAL + ISADFPFESNFIEVDGFKIHYVDQG--SGEPILFLHGNPTSSYLWRNIIPYLTAKGRCLAPDLIGMGKSDKPDIDYLFFDHVKFIEGFIERMNLKNITLVMHDWGSAIGFHYAMSQENNIKGLAFMEFIRPM-SWDDFPTRAIELFKAFRTPEVGWDLLVNKNAFIEQVLPLSIVRQLSEEEMNRYREPFQKINDRKPIWRWPNEIPIEGEPVAVVKAVETYHAKLLQSDLPKLMFYADPGALISPSMAQWYEQHLKNLKSVNIGAGSHYLQEDNPHLIGAELVNWYNNL + I FPF+ +++EV G ++HYVD G G P+LFLHGNPTSSYLWRNIIP++ RC+APDLIGMGKSDKPD+DY F DHV++++ FIE + L+ + LV+HDWGSA+GFH+A +KG+A MEFIRP+ +WD++P A E F+AFRT +VG +L++++NAFIE LP +VR L+E EM+ YREPF K DR+P+WR+PNE+PI GEP +V VE Y L QS +PKL+F+ PG LI P+ A + L N K+V+IG G HYLQEDNP LIG+E+ W L + + + + + 10 + ref|WP_287697383.1| + MULTISPECIES: haloalkane dehalogenase [unclassified Microcystis] + WP_287697383 + 293 + + + 1 + 342.043 + 876 + 1.90349e-114 + 4 + 293 + 7 + 293 + 0 + 0 + 162 + 213 + 3 + 290 + IGTGFPFDPHYVEVLGERMHYVDVGPRDGTPVLFLHGNPTSSYLWRNIIPHVAPSHRCIAPDLIGMGKSDKPDLDYFFDDHVRYLDAFIEALGLEEVVLVIHDWGSALGFHWAKRNPERVKGIACMEFIRPIPTWDEWPEFARETFQAFRTADVGRELIIDQNAFIEGALPKCVVRPLTEVEMDHYREPFLKPVDREPLWRFPNELPIAGEPANIVALVEAYMNWLHQSPVPKLLFWGTPGVLIPPAEAARLAESLPNCKTVDIGPGLHYLQEDNPDLIGSEIARWLPAL + ISADFPFESNFIEVDGFKIHYVDQG--SGEPILFLHGNPTSSYLWRNIIPYLTAKGRCLAPDLIGMGKSDKPDIDYLFFDHVKFIEGFIERMNLKNITLVMHDWGSAIGFHYAMSQENNIKGLAFMEFIRPM-SWDDFPTRAIELFKAFRTPEVGWDLLVNKNAFIEQVLPLSIVRQLSEEEMNRYREPFQKINDRKPIWRWPNEIPIEGEPVAVVKAVETYHAKLLQSDLPKLMFYADPGALISPSMAQWYEQHLKNLKSVNIGAGSHYLQEDNPHLIGAELVNWYNNL + I FPF+ +++EV G ++HYVD G G P+LFLHGNPTSSYLWRNIIP++ RC+APDLIGMGKSDKPD+DY F DHV++++ FIE + L+ + LV+HDWGSA+GFH+A +KG+A MEFIRP+ +WD++P A E F+AFRT +VG +L++++NAFIE LP +VR L+E EM+ YREPF K DR+P+WR+PNE+PI GEP +V VE Y L QS +PKL+F+ PG LI P+ A + L N K+V+IG G HYLQEDNP LIG+E+ W L + + + + + 11 + ref|WP_287077077.1| + haloalkane dehalogenase, partial [Microcystis sp. M_QC_C_20170808_M3Col] + WP_287077077 + 289 + + + 1 + 341.273 + 874 + 3.16239e-114 + 4 + 293 + 3 + 289 + 0 + 0 + 162 + 213 + 3 + 290 + IGTGFPFDPHYVEVLGERMHYVDVGPRDGTPVLFLHGNPTSSYLWRNIIPHVAPSHRCIAPDLIGMGKSDKPDLDYFFDDHVRYLDAFIEALGLEEVVLVIHDWGSALGFHWAKRNPERVKGIACMEFIRPIPTWDEWPEFARETFQAFRTADVGRELIIDQNAFIEGALPKCVVRPLTEVEMDHYREPFLKPVDREPLWRFPNELPIAGEPANIVALVEAYMNWLHQSPVPKLLFWGTPGVLIPPAEAARLAESLPNCKTVDIGPGLHYLQEDNPDLIGSEIARWLPAL + ISADFPFESNFIEVDGFKIHYVDQG--SGEPILFLHGNPTSSYLWRNIIPYLTAKGRCLAPDLIGMGKSDKPDIDYLFFDHVKFIEGFIERMNLKNITLVMHDWGSAIGFHYAMSQENNIKGLAFMEFIRPM-SWDDFPTRAIELFKAFRTPEVGWDLLVNKNAFIEQVLPLSIVRQLSEEEMNRYREPFQKINDRKPIWRWPNEIPIEGEPVAVVKAVETYHAKLLQSDLPKLMFYADPGALISPSMAQWYEQHLKNLKSVNIGAGSHYLQEDNPHLIGAELVNWYNNL + I FPF+ +++EV G ++HYVD G G P+LFLHGNPTSSYLWRNIIP++ RC+APDLIGMGKSDKPD+DY F DHV++++ FIE + L+ + LV+HDWGSA+GFH+A +KG+A MEFIRP+ +WD++P A E F+AFRT +VG +L++++NAFIE LP +VR L+E EM+ YREPF K DR+P+WR+PNE+PI GEP +V VE Y L QS +PKL+F+ PG LI P+ A + L N K+V+IG G HYLQEDNP LIG+E+ W L + + + + + 12 + ref|WP_287683594.1| + MULTISPECIES: haloalkane dehalogenase [unclassified Microcystis] + WP_287683594 + 329 + + + 1 + 342.813 + 878 + 3.39341e-114 + 4 + 293 + 43 + 329 + 0 + 0 + 162 + 213 + 3 + 290 + IGTGFPFDPHYVEVLGERMHYVDVGPRDGTPVLFLHGNPTSSYLWRNIIPHVAPSHRCIAPDLIGMGKSDKPDLDYFFDDHVRYLDAFIEALGLEEVVLVIHDWGSALGFHWAKRNPERVKGIACMEFIRPIPTWDEWPEFARETFQAFRTADVGRELIIDQNAFIEGALPKCVVRPLTEVEMDHYREPFLKPVDREPLWRFPNELPIAGEPANIVALVEAYMNWLHQSPVPKLLFWGTPGVLIPPAEAARLAESLPNCKTVDIGPGLHYLQEDNPDLIGSEIARWLPAL + ISADFPFESNFIEVDGFKIHYVDQG--SGEPILFLHGNPTSSYLWRNIIPYLTAKGRCLAPDLIGMGKSDKPDIDYLFFDHVKFIEGFIERMNLKNITLVMHDWGSAIGFHYAMSQENNIKGLAFMEFIRPM-SWDDFPTRAIELFKAFRTPEVGWDLLVNKNAFIEQVLPLSIVRQLSEEEMNRYREPFQKINDRKPIWRWPNEIPIEGEPVAVVKAVETYHAKLLQSDLPKLMFYADPGALISPSMAQWYEQHLKNLKSVNIGAGSHYLQEDNPHLIGAELVNWYNNL + I FPF+ +++EV G ++HYVD G G P+LFLHGNPTSSYLWRNIIP++ RC+APDLIGMGKSDKPD+DY F DHV++++ FIE + L+ + LV+HDWGSA+GFH+A +KG+A MEFIRP+ +WD++P A E F+AFRT +VG +L++++NAFIE LP +VR L+E EM+ YREPF K DR+P+WR+PNE+PI GEP +V VE Y L QS +PKL+F+ PG LI P+ A + L N K+V+IG G HYLQEDNP LIG+E+ W L + + + + + 13 + ref|WP_349017027.1| + haloalkane dehalogenase [Bradyrhizobium sp. Arg237L] + WP_349017027 + 313 + + + 1 + 341.273 + 874 + 7.73848e-114 + 14 + 290 + 27 + 305 + 0 + 0 + 168 + 205 + 2 + 279 + YVEVLGERMHYVDVGPRD-GTPV-LFLHGNPTSSYLWRNIIPHVAPSHRCIAPDLIGMGKSDKPDLDYFFDDHVRYLDAFIEALGLEEVVLVIHDWGSALGFHWAKRNPERVKGIACMEFIRPIPTWDEWPEFARETFQAFRTADVGRELIIDQNAFIEGALPKCVVRPLTEVEMDHYREPFLKPVDREPLWRFPNELPIAGEPANIVALVEAYMNWLHQSPVPKLLFWGTPGVLIPPAEAARLAESLPNCKTVDIGPGLHYLQEDNPDLIGSEIARWL + YVEVLGSKMAYVDEGVGEAGTPVALLLHGNPTSSYLWRNVIPHVAPHMRCIAPDLIGFGDSDKPDIPYRVEDHARYLQGFIQALQLNDVILILHDWGSALDLDWARRHPTRIRGLALMEFIRPIPTWLDLGPQAYEFFKAFRDPVMGRKLIIGDNAFIEKGLPDGIVRELSPEEIAEYRRPFLDPKDREPIYRLPNELPIAGTPSDVYAMAMAYHDWLLETETPKIFFLATPGIFIPPARAAFYRECLKSCRAVDLGEGYHYLQEDHPDTIGKEIAAWL + YVEVLG +M YVD G + GTPV L LHGNPTSSYLWRN+IPHVAP RCIAPDLIG G SDKPD+ Y +DH RYL FI+AL L +V+L++HDWGSAL WA+R+P R++G+A MEFIRPIPTW + A E F+AFR +GR+LII NAFIE LP +VR L+ E+ YR PFL P DREP++R PNELPIAG P+++ A+ AY +WL ++ PK+ F TPG+ IPPA AA E L +C+ VD+G G HYLQED+PD IG EIA WL + + + + + 14 + ref|WP_177124019.1| + haloalkane dehalogenase [Pseudomonas gingeri] + WP_177124019 + 290 + + + 1 + 339.732 + 870 + 1.16248e-113 + 14 + 293 + 8 + 289 + 0 + 0 + 164 + 205 + 2 + 282 + YVEVLGERMHYVDVGP-RDGTPVL-FLHGNPTSSYLWRNIIPHVAPSHRCIAPDLIGMGKSDKPDLDYFFDDHVRYLDAFIEALGLEEVVLVIHDWGSALGFHWAKRNPERVKGIACMEFIRPIPTWDEWPEFARETFQAFRTADVGRELIIDQNAFIEGALPKCVVRPLTEVEMDHYREPFLKPVDREPLWRFPNELPIAGEPANIVALVEAYMNWLHQSPVPKLLFWGTPGVLIPPAEAARLAESLPNCKTVDIGPGLHYLQEDNPDLIGSEIARWLPAL + YVDVLGSKMAYVDEGAWKEGAPVVVFLHGNPTSSYLWRNVIPHVSPQLRCVAPDLIGFGDSDKPEIGYRVEDHARYLQAFIEALNLTDVILVLHDWGSALGLDWARRHPAQVQGLALMEFLPPMPTWLDLGEQPYEFFKAFRDPAIGRSLLIDNNAFIEQGLPGGIVRELSSDEMEEYRRPFSTPQNREPIYRFPNELPIAGTPTDVYAMAVAYHEWLLATETPKIFFHAAPGIFIPPARAEFYRSHLKSCRTVDLGQGLHYLQEDHPDTIGQEIAAWLQTL + YV+VLG +M YVD G ++G PV+ FLHGNPTSSYLWRN+IPHV+P RC+APDLIG G SDKP++ Y +DH RYL AFIEAL L +V+LV+HDWGSALG WA+R+P +V+G+A MEF+ P+PTW + E E F+AFR +GR L+ID NAFIE LP +VR L+ EM+ YR PF P +REP++RFPNELPIAG P ++ A+ AY WL + PK+ F PG+ IPPA A L +C+TVD+G GLHYLQED+PD IG EIA WL L + + + + + 15 + ref|WP_129890203.1| + haloalkane dehalogenase [Ktedonosporobacter rubrisoli] + WP_129890203 + 292 + + + 1 + 338.961 + 868 + 2.53251e-113 + 8 + 293 + 8 + 292 + 0 + 0 + 163 + 206 + 3 + 287 + FPFDPHYVEVLGERMHYVDVGPRDGTPVLFLHGNPTSSYLWRNIIPHVAPSHRCIAPDLIGMGKSDKPDLDYFFDDHVRYLDAFIEALGLEEVVLVIHDWGSALGFHWAKRNPERVKGIACME-FIRPIPTWDEWPEFARETFQAFRTADVGRELIIDQNAFIEGALPKCVVRPLTEVEMDHYREPFLKPVDREPLWRFPNELPIAGEPANIVALVEAYMNWLHQSPVPKLLFWGTPGVLIPPAEAARLAESLPNCKTVDIGPGLHYLQEDNPDLIGSEIARWLPAL + FPFPSHSQSVFGAKMHYIDEG--TGDPILFLHGNPTSSYLWRNILPTLSHLGRCIAPDLIGMGRSEKPDIAYHFFDHVHYLEEFIQTLGLQNITLVLHDWGSALGFHYASRHASNIKGIAFMEALLMPLPGWEVFPDSVRALFQEFRTRETGRELIIDQNAFIEQVLPHSILRPLTDAEMAWYREPFVNPASREPIWRWVNNLPIAGSPVEMVEVMEAYNHWLQATDLPKLLCYATPGVVLPTPLVDWCQHHLKNLTTKDVGPGLHYIQEDSPHLIGSALAQWYAAL + FPF H V G +MHY+D G G P+LFLHGNPTSSYLWRNI+P ++ RCIAPDLIGMG+S+KPD+ Y F DHV YL+ FI+ LGL+ + LV+HDWGSALGFH+A R+ +KGIA ME + P+P W+ +P+ R FQ FRT + GRELIIDQNAFIE LP ++RPLT+ EM YREPF+ P REP+WR+ N LPIAG P +V ++EAY +WL + +PKLL + TPGV++P L N T D+GPGLHY+QED+P LIGS +A+W AL + + + + + 16 + ref|XP_060360967.1| + Alpha/Beta hydrolase protein [Colletotrichum acutatum] + XP_060360967 + 300 + + + 1 + 333.569 + 854 + 4.79215e-111 + 2 + 293 + 7 + 300 + 0 + 0 + 160 + 204 + 2 + 294 + SEIGTGFPFDPHYVEVLGERMHYVDVGPRDGTPVLFLHGNPTSSYLWRNIIPHVAPSHRCIAPDLIGMGKSDK-PDLDYFFDDHVRYLDAFIE-ALGLEEVVLVIHDWGSALGFHWAKRNPERVKGIACMEFIRPIPTWDEWPEFARETFQAFRTADVGRELIIDQNAFIEGALPKCVVRPLTEVEMDHYREPFLKPVDREPLWRFPNELPIAGEPANIVALVEAYMNWLHQSPVPKLLFWGTPGVLIPPAEAARLAESLPNCKTVDIGPGLHYLQEDNPDLIGSEIARWLPAL + NKIPTRFPFDKSRVHVLGSDMAYVDAGSSPGSATLFLHGNPTSSYLWRNIIPYISGKSRCITPDLIGFGDSDKVPGLDYRVADHQRYLDAFLDLVLPTEKITLVLHDWGSALGFDWARRHEDRIAGLALMEFMHPSSSWETAPKAMADNFKPFREPGLGRQLIIDQNVFIERILPGSIVRQLSEEEMTEYRRPFLDPASREPLWRFPNEIPIGGQPADVAEMAEKYMAWLFQTELPKLFFWVTPGGTIGEEKAVEFMKKLRNTRSVYLGPGVHFVQEDHPHAIGREISHWLPSF + ++I T FPFD V VLG M YVD G G+ LFLHGNPTSSYLWRNIIP+++ RCI PDLIG G SDK P LDY DH RYLDAF++ L E++ LV+HDWGSALGF WA+R+ +R+ G+A MEF+ P +W+ P+ + F+ FR +GR+LIIDQN FIE LP +VR L+E EM YR PFL P REPLWRFPNE+PI G+PA++ + E YM WL Q+ +PKL FW TPG I +A + L N ++V +GPG+H++QED+P IG EI+ WLP+ + + + + + 17 + ref|WP_197081864.1| + haloalkane dehalogenase [Silvibacterium bohemicum] + WP_197081864 + 290 + + + 1 + 333.183 + 853 + 5.33632e-111 + 14 + 293 + 8 + 289 + 0 + 0 + 162 + 194 + 2 + 282 + YVEVLGERMHYVDVGPRDG--TPVLFLHGNPTSSYLWRNIIPHVAPSHRCIAPDLIGMGKSDKPDLDYFFDDHVRYLDAFIEALGLEEVVLVIHDWGSALGFHWAKRNPERVKGIACMEFIRPIPTWDEWPEFARETFQAFRTADVGRELIIDQNAFIEGALPKCVVRPLTEVEMDHYREPFLKPVDREPLWRFPNELPIAGEPANIVALVEAYMNWLHQSPVPKLLFWGTPGVLIPPAEAARLAESLPNCKTVDIGPGLHYLQEDNPDLIGSEIARWLPAL + YVEVLNSKMAYVDEGLSEGKETVALFLHGNPTSSYLWRNVIPHVAPHVRCVAPDLIGFGHSDRPNLSYRIEDHASYLQVFIEALNLTDVILVLHDWGSALGLDWARRHSTQVKGLALMEFIAPVPTWLDLGTTAYEYLKTLRDPAIGRSLVIDHNIFIEQGLPSGVVRHLSAHEMEEYRRPFLNANDREPIYRFPNELPIAGSPSDVYAMAVAYHEWLLSTDTPKLFFHAQPGIFIPPARAEFYRTHLKSCHAVDLGHGLHYLQEDHPDTIGQEIAAWLKML + YVEVL +M YVD G +G T LFLHGNPTSSYLWRN+IPHVAP RC+APDLIG G SD+P+L Y +DH YL FIEAL L +V+LV+HDWGSALG WA+R+ +VKG+A MEFI P+PTW + A E + R +GR L+ID N FIE LP VVR L+ EM+ YR PFL DREP++RFPNELPIAG P+++ A+ AY WL + PKL F PG+ IPPA A L +C VD+G GLHYLQED+PD IG EIA WL L + + + + + 18 + ref|WP_221313041.1| + haloalkane dehalogenase [Granulicella aggregans] + WP_221313041 + 306 + + + 1 + 332.798 + 852 + 1.31767e-110 + 4 + 292 + 12 + 302 + 0 + 0 + 163 + 205 + 2 + 291 + IGTGFPFDPHYVEVLGERMHYVDVGPRDGTPVLFLHGNPTSSYLWRNIIPHVAPSHRCIAPDLIGMGKSDK-PDLDYFFDDHVRYLDAFIEAL-GLEEVVLVIHDWGSALGFHWAKRNPERVKGIACMEFIRPIPTWDEWPEFARETFQAFRTADVGRELIIDQNAFIEGALPKCVVRPLTEVEMDHYREPFLKPVDREPLWRFPNELPIAGEPANIVALVEAYMNWLHQSPVPKLLFWGTPGVLIPPAEAARLAESLPNCKTVDIGPGLHYLQEDNPDLIGSEIARWLPA + LSAEFSFEKQRIKVLDGEMAYIDTGGSGSTTAVFLHGNPTSSYLWRNVIPHVAPQARCLAPDLIGMGDSSKLKGSDYRFFDHARYLEAFLDAVVTTGKILLVLHDWGSALGLDWACRHEERVAGLALMEFIAPVPTWNDFPQEGREIFQAFRHPLKGRELLIEHNVFIEQILQAGVSRTLSSVEMDHYRAPFLKVEDREPLYRFPNELPIAHEPADVYARAERYHDWLMANELPKLYFWASPGGLIPEEKAAWYVRTLRNTESVALGAGKHFVQEDNPHLIGQEIAKWVQA + + F F+ ++VL M Y+D G T +FLHGNPTSSYLWRN+IPHVAP RC+APDLIGMG S K DY F DH RYL+AF++A+ +++LV+HDWGSALG WA R+ ERV G+A MEFI P+PTW+++P+ RE FQAFR GREL+I+ N FIE L V R L+ VEMDHYR PFLK DREPL+RFPNELPIA EPA++ A E Y +WL + +PKL FW +PG LIP +AA +L N ++V +G G H++QEDNP LIG EIA+W+ A + + + + + 19 + ref|WP_138327894.1| + haloalkane dehalogenase [Lichenicoccus roseus] + WP_138327894 + 293 + + + 1 + 328.946 + 842 + 2.58762e-109 + 15 + 294 + 10 + 287 + 0 + 0 + 163 + 196 + 2 + 280 + VEVLGERMHYVDVGPRDGTPVLFLHGNPTSSYLWRNIIPHVAPSHRCIAPDLIGMGKSDKPDLDYFFDDHVRYLDAFIEALGLEEVVLVIHDWGSALGFHWAKRNPERVKGIACMEFIRPIPTWDEWPEFARETFQAFRTADVGRELIIDQNAFIEGALPKCVVRPLTEVEMDHYREPFLKPVDREPLWRFPNELPIAGEPANIVALVEAYMNWLHQSPVPKLLFWGTPGVLIPPAEAARLAESLPNCKTVDIGPGLHYLQEDNPDLIGSEIARWLPALH + LEVFGSQMAYVDEG--SGPAVLFLHGNPMSSYLWRNVIPHVAPHARCIAPDLIGFGDSDKPDLAYRVPDQARYLDQFIEILGLGDVVLVLHDWGSALGLDWARRHPRRIRGLALMEFICPQPTWLDMNPVVAQHFQEFRDPAGSRKLLIDENAFIERIVPENIVRQLPPEDLDAYRRPFLDPASREPIWRFPNDLPIAGEPVDVYTMAVAYHDWLLETEVPKLFFWADPGALIPVERAAYYQTRLKACHSVALGEGIHYVQEDHPDLIGREIAGWLTNLH + +EV G +M YVD G G VLFLHGNP SSYLWRN+IPHVAP RCIAPDLIG G SDKPDL Y D RYLD FIE LGL +VVLV+HDWGSALG WA+R+P R++G+A MEFI P PTW + + FQ FR R+L+ID+NAFIE +P+ +VR L ++D YR PFL P REP+WRFPN+LPIAGEP ++ + AY +WL ++ VPKL FW PG LIP AA L C +V +G G+HY+QED+PDLIG EIA WL LH + + + + + 20 + ref|WP_269034041.1| + haloalkane dehalogenase [Nannocystis poenicansa] + WP_269034041 + 296 + + + 1 + 327.405 + 838 + 1.17197e-108 + 3 + 293 + 5 + 294 + 0 + 0 + 166 + 206 + 3 + 292 + EIGTGFPFDPHYVEVLGERMHYVDVGPRDGTPVLFLHGNPTSSYLWRNIIPHVAPSHRCIAPDLIGMGKSDKPDLDYFFDDHVRYLDAFIEALGLEEVVLVIHDWGSALGFHWAKRNPERVKGIACME-FIRPIPTWDEWPEFARETFQAFRTADVGRELIIDQNAFIEGALPKCVVRPLTEVEMDHYREPFLKPVDREPLWRFPNELPIAGEPANIVALVEAYMNWLHQSPVPKLLFWGTPGVLIPPAEAARLAESLPNCKTVDIGPGLHYLQEDNPDLIGSEIARWLPAL + DISPDFPYSKHFVDVLGARMAYVDEG--QGDPILFLHGNPTSSYLWRNVLPHVRGLGRCIAVDLIGMGDSDKPDIAYRFDDHARYLAAFIAALGLERITLVVHDWGSALGFDWAMAHPEAVRGLAFMEAIVTPMPSWDDFPEAGRAMFQAFRTPGVGERLVLDDNVFVEQALPASVLRGLTPEELRHYRAPFPDRAARRPVLAWPRQLPIAGEPADVVARVERYRDALCRSDLPKLLFTVEPGVLVPPAVARWCREHLPRLEVIELGRGLHFVQEDHPHAIGRGLAAWLARL + +I FP+ H+V+VLG RM YVD G G P+LFLHGNPTSSYLWRN++PHV RCIA DLIGMG SDKPD+ Y FDDH RYL AFI ALGLE + LV+HDWGSALGF WA +PE V+G+A ME + P+P+WD++PE R FQAFRT VG L++D N F+E ALP V+R LT E+ HYR PF R P+ +P +LPIAGEPA++VA VE Y + L +S +PKLLF PGVL+PPA A E LP + +++G GLH++QED+P IG +A WL L + + + + + 21 + ref|WP_131562935.1| + haloalkane dehalogenase [Pedobacter frigidisoli] + WP_131562935 + 291 + + + 1 + 327.02 + 837 + 1.43392e-108 + 9 + 293 + 7 + 289 + 0 + 0 + 151 + 206 + 2 + 285 + PFDPHYVEVLGERMHYVDVGPRDGTPVLFLHGNPTSSYLWRNIIPHVAPSHRCIAPDLIGMGKSDKPDLDYFFDDHVRYLDAFIEALGLEEVVLVIHDWGSALGFHWAKRNPERVKGIACMEFIRPIPTWDEWPEFARETFQAFRTADVGRELIIDQNAFIEGALPKCVVRPLTEVEMDHYREPFLKPVDREPLWRFPNELPIAGEPANIVALVEAYMNWLHQSPVPKLLFWGTPGVLIPPAEAARLAESLPNCKTVDIGPGLHYLQEDNPDLIGSEIARWLPAL + PYKMKGIEILNSQMTYIDEGY--GPTILFLHGNPTSSYLWRNIIPYMLPHYRCIAPDLIGFGESDKPQIRYKFEDHANYLEQFIKSLHLENLILVLHDWGSALGFDWARRHESQVRGLVFMEFMHPFPTWQDFGEQGAAIFKKFRDPEIGRKLLVEENFFIEGVLAGGVLKGLEKKDMDVYRQPFLSPADREPLYRFPNEVPIAGEPVNVYAMATAYHDWLLKTDISKLFLWVTPGALISVEKAAWYEKNLKNCKSVKLGNGSHYVQEDHPDKIGLEIASWVANL + P+ +E+L +M Y+D G G +LFLHGNPTSSYLWRNIIP++ P +RCIAPDLIG G+SDKP + Y F+DH YL+ FI++L LE ++LV+HDWGSALGF WA+R+ +V+G+ MEF+ P PTW ++ E F+ FR ++GR+L++++N FIEG L V++ L + +MD YR+PFL P DREPL+RFPNE+PIAGEP N+ A+ AY +WL ++ + KL W TPG LI +AA ++L NCK+V +G G HY+QED+PD IG EIA W+ L + + + + + 22 + ref|WP_267742363.1| + haloalkane dehalogenase [Nannocystis sp. ILAH1] + WP_267742363 + 296 + + + 1 + 326.635 + 836 + 2.46264e-108 + 4 + 293 + 6 + 294 + 0 + 0 + 165 + 203 + 3 + 291 + IGTGFPFDPHYVEVLGERMHYVDVGPRDGTPVLFLHGNPTSSYLWRNIIPHVAPSHRCIAPDLIGMGKSDKPDLDYFFDDHVRYLDAFIEALGLEEVVLVIHDWGSALGFHWAKRNPERVKGIACME-FIRPIPTWDEWPEFARETFQAFRTADVGRELIIDQNAFIEGALPKCVVRPLTEVEMDHYREPFLKPVDREPLWRFPNELPIAGEPANIVALVEAYMNWLHQSPVPKLLFWGTPGVLIPPAEAARLAESLPNCKTVDIGPGLHYLQEDNPDLIGSEIARWLPAL + ISPEFPYTKHSIDVLGARMAYVDEG--EGDPILFIHGNPTSSYLWRNVLPHVRHLGRCIAVDLIGMGDSDKPDIAYRFDDHARYLAGFIAALGLRRITLVVHDWGSALGFDWAMRHPELVRGLAFMEAIVTPMPSWDDFPAAGRAMFQAFRTPGVGERLVLDDNVFVEQALPASVVRGLTPAELQHYRAPFLDRAARRPVLAWPRELPIAGEPADVVARVERYRDALSRSDLPKLLFTVEPGVLIPPAVARWCRAHLPRLEVIELGHGLHFVQEDHPHAIGRGLADWLSRL + I FP+ H ++VLG RM YVD G +G P+LF+HGNPTSSYLWRN++PHV RCIA DLIGMG SDKPD+ Y FDDH RYL FI ALGL + LV+HDWGSALGF WA R+PE V+G+A ME + P+P+WD++P R FQAFRT VG L++D N F+E ALP VVR LT E+ HYR PFL R P+ +P ELPIAGEPA++VA VE Y + L +S +PKLLF PGVLIPPA A LP + +++G GLH++QED+P IG +A WL L + + + + + 23 + ref|WP_062174709.1| + haloalkane dehalogenase [Burkholderia sp. PAMC 26561] + WP_062174709 + 292 + + + 1 + 325.865 + 834 + 4.98554e-108 + 15 + 293 + 9 + 285 + 0 + 0 + 159 + 197 + 2 + 279 + VEVLGERMHYVDVGPRDGTPVLFLHGNPTSSYLWRNIIPHVAPSHRCIAPDLIGMGKSDKPDLDYFFDDHVRYLDAFIEALGLEEVVLVIHDWGSALGFHWAKRNPERVKGIACMEFIRPIPTWDEWPEFARETFQAFRTADVGRELIIDQNAFIEGALPKCVVRPLTEVEMDHYREPFLKPVDREPLWRFPNELPIAGEPANIVALVEAYMNWLHQSPVPKLLFWGTPGVLIPPAEAARLAESLPNCKTVDIGPGLHYLQEDNPDLIGSEIARWLPAL + LEVLGSQMAYVDVG--NGPTILFLHGNPMSSYLWRNVIPHVAAHARCIAPDLIGFGDSDKPDLAYRVPDQARYLDQFIEKLGLDDVVLVLHDWGSALGLDWSRRHPRKVRGLALMEIICPQPTWLDMNPVVAQHFREFRDPGGSRKLLIDENAFIERIVPENIVRQLSSEDLDAYRRPFRDPASREPIWRFPNDLPIAGEPADVYAMAVAYHNWLLETDVPKLFFWADPGALISVERAAYYRTRLKACHSVALGKGIHYVQEDHPDLIGREIVSWLNDL + +EVLG +M YVDVG +G +LFLHGNP SSYLWRN+IPHVA RCIAPDLIG G SDKPDL Y D RYLD FIE LGL++VVLV+HDWGSALG W++R+P +V+G+A ME I P PTW + + F+ FR R+L+ID+NAFIE +P+ +VR L+ ++D YR PF P REP+WRFPN+LPIAGEPA++ A+ AY NWL ++ VPKL FW PG LI AA L C +V +G G+HY+QED+PDLIG EI WL L + + + + + 24 + ref|WP_272004617.1| + haloalkane dehalogenase [Nannocystis radixulma] + WP_272004617 + 296 + + + 1 + 324.324 + 830 + 2.21085e-107 + 3 + 293 + 5 + 294 + 0 + 0 + 165 + 202 + 3 + 292 + EIGTGFPFDPHYVEVLGERMHYVDVGPRDGTPVLFLHGNPTSSYLWRNIIPHVAPSHRCIAPDLIGMGKSDKPDLDYFFDDHVRYLDAFIEALGLEEVVLVIHDWGSALGFHWAKRNPERVKGIACME-FIRPIPTWDEWPEFARETFQAFRTADVGRELIIDQNAFIEGALPKCVVRPLTEVEMDHYREPFLKPVDREPLWRFPNELPIAGEPANIVALVEAYMNWLHQSPVPKLLFWGTPGVLIPPAEAARLAESLPNCKTVDIGPGLHYLQEDNPDLIGSEIARWLPAL + DISSEFPYTKHFIDVLGSRMAYVDEG--QGDPILFIHGNPTSSYLWRNVIPHVRGLGRCIAVDLIGMGDSDKPDIPYRFADHARYLAAFIAALDLRRITLVIHDWGSALGFDWAMAHPEAVRGLAFMEAIVTPMPSWAEFPEGGRALFQAFRTPEVGERLVLDDNVFVEQALPASVVRGLTATELQHYRAPFRDRAARRPTLAWPRELPIAGEPADVVARVIRYRDALCRSDVPKLLFTADPGVLIPAPVAAWCRAHLPRLEVIELGPGLHFVQEDHPHAIGRGLAQWLARL + +I + FP+ H+++VLG RM YVD G G P+LF+HGNPTSSYLWRN+IPHV RCIA DLIGMG SDKPD+ Y F DH RYL AFI AL L + LVIHDWGSALGF WA +PE V+G+A ME + P+P+W E+PE R FQAFRT +VG L++D N F+E ALP VVR LT E+ HYR PF R P +P ELPIAGEPA++VA V Y + L +S VPKLLF PGVLIP AA LP + +++GPGLH++QED+P IG +A+WL L + + + + + 25 + ref|XP_056025902.1| + alpha/beta hydrolase fold domain-containing protein [Trichoderma breve] + XP_056025902 + 301 + + + 1 + 324.324 + 830 + 2.34669e-107 + 4 + 291 + 9 + 298 + 0 + 0 + 158 + 196 + 2 + 290 + IGTGFPFDPHYVEVLGERMHYVDVGPRDGTPVLFLHGNPTSSYLWRNIIPHVAPSHRCIAPDLIGMGKSDK-PDLDYFFDDHVRYLDAFIEA-LGLEEVVLVIHDWGSALGFHWAKRNPERVKGIACMEFIRPIPTWDEWPEFARETFQAFRTADVGRELIIDQNAFIEGALPKCVVRPLTEVEMDHYREPFLKPVDREPLWRFPNELPIAGEPANIVALVEAYMNWLHQSPVPKLLFWGTPGVLIPPAEAARLAESLPNCKTVDIGPGLHYLQEDNPDLIGSEIARWLP + ISAEFPFEKQKVEILGSHIAYVDVGASEGSATIFLHGNPTSSYVWRNIIPHVCDKSRCIAPDLIGFGDSDKVAGLEYKIADHQRYLDAFLDAVLPTEKVTLVLHDWGSALGFDWARRHQDRVTGLSFFEFVLPAPSWDVFPPAVAENFIPFRDPKLGRELLINQNVFVEKVLPLNVLRKLSEEEMKQYRRPFLQLESREPLWRFPNEIPIEGHPADVWEKVTKYIDWLSHTDIPKLFFWAEPAVVITKDTVENFVKKLHNTKIVHLGPGLHYFQEDYPHTIGREIAQWLP + I FPF+ VE+LG + YVDVG +G+ +FLHGNPTSSY+WRNIIPHV RCIAPDLIG G SDK L+Y DH RYLDAF++A L E+V LV+HDWGSALGF WA+R+ +RV G++ EF+ P P+WD +P E F FR +GREL+I+QN F+E LP V+R L+E EM YR PFL+ REPLWRFPNE+PI G PA++ V Y++WL + +PKL FW P V+I + L N K V +GPGLHY QED P IG EIA+WLP + + + + + 26 + ref|WP_267686032.1| + haloalkane dehalogenase [Nannocystis sp. SCPEA4] + WP_267686032 + 296 + + + 1 + 323.939 + 829 + 3.16985e-107 + 3 + 293 + 5 + 294 + 0 + 0 + 164 + 202 + 3 + 292 + EIGTGFPFDPHYVEVLGERMHYVDVGPRDGTPVLFLHGNPTSSYLWRNIIPHVAPSHRCIAPDLIGMGKSDKPDLDYFFDDHVRYLDAFIEALGLEEVVLVIHDWGSALGFHWAKRNPERVKGIACME-FIRPIPTWDEWPEFARETFQAFRTADVGRELIIDQNAFIEGALPKCVVRPLTEVEMDHYREPFLKPVDREPLWRFPNELPIAGEPANIVALVEAYMNWLHQSPVPKLLFWGTPGVLIPPAEAARLAESLPNCKTVDIGPGLHYLQEDNPDLIGSEIARWLPAL + DISSDFPYSKHFIDVLGSRMAYVDEG--QGDPILFIHGNPTSAYLWRNVIPHVRGLGRCIAVDLIGMGDSDKPDIPYRFADHARYLAAFIAALDLRRITLVIHDWGSALGFDWAMAHPEAVRGLAFMEAIVTPMPSWAEFPEGGRALFQAFRTPEVGERLVLDDNVFVEQALPASVVRGLTAAELQHYRAPFRDRAARRPTLAWPRELPIAGEPADVVARVIRYRDALCRSDVPKLLFTADPGVLIPAPVAAWCRAHLPRLEVIELGPGLHFVQEDHPHAIGRGLAQWLARL + +I + FP+ H+++VLG RM YVD G G P+LF+HGNPTS+YLWRN+IPHV RCIA DLIGMG SDKPD+ Y F DH RYL AFI AL L + LVIHDWGSALGF WA +PE V+G+A ME + P+P+W E+PE R FQAFRT +VG L++D N F+E ALP VVR LT E+ HYR PF R P +P ELPIAGEPA++VA V Y + L +S VPKLLF PGVLIP AA LP + +++GPGLH++QED+P IG +A+WL L + + + + + 27 + ref|WP_184647649.1| + haloalkane dehalogenase [Sphingopyxis sp. JAI128] + WP_184647649 + 294 + + + 1 + 323.553 + 828 + 4.02204e-107 + 15 + 290 + 11 + 288 + 0 + 0 + 159 + 192 + 2 + 278 + VEVLGERMHYVDVGPRDGTPVLFLHGNPTSSYLWRNIIPHVAPSHRCIAPDLIGMGKSDKPDLDYFFDDHVRYLDAFIEALGLEEVVLVIHDWGSALGFHWAKRNPERVKGIACMEFIRPIPTWDEW--PEFARETFQAFRTADVGRELIIDQNAFIEGALPKCVVRPLTEVEMDHYREPFLKPVDREPLWRFPNELPIAGEPANIVALVEAYMNWLHQSPVPKLLFWGTPGVLIPPAEAARLAESLPNCKTVDIGPGLHYLQEDNPDLIGSEIARWL + LDVLGSPMAYRTLGSPDAPVALFLHGNPTSSYIWRDILPHVAPVARCIAPDLIGFGQSGKPDIEYRFVDHVRYLDAFIETAGIESAYLVAQDWGTALAFHLASRRPEMIRGLAFMEFIRPFPDWDAFHQSDEARQTFRMFRTPGAGEEAIIENNAFIERVLPGSIKRALSADEMDVYRAPFLSADARKPIWRLPNELPIAGEPADVAAILEKAHADLATSAYPKLLFAGDPGALVSPAFAESFAAQLPACRLVQLGAGAHYLQEDHPATIGTEIARWI + ++VLG M Y +G D LFLHGNPTSSY+WR+I+PHVAP RCIAPDLIG G+S KPD++Y F DHVRYLDAFIE G+E LV DWG+AL FH A R PE ++G+A MEFIRP P WD + + AR+TF+ FRT G E II+ NAFIE LP + R L+ EMD YR PFL R+P+WR PNELPIAGEPA++ A++E L S PKLLF G PG L+ PA A A LP C+ V +G G HYLQED+P IG+EIARW+ + + + + + 28 + ref|WP_267703764.1| + haloalkane dehalogenase [Nannocystis sp. RBIL2] + WP_267703764 + 296 + + + 1 + 323.553 + 828 + 4.44664e-107 + 4 + 293 + 6 + 294 + 0 + 0 + 164 + 202 + 3 + 291 + IGTGFPFDPHYVEVLGERMHYVDVGPRDGTPVLFLHGNPTSSYLWRNIIPHVAPSHRCIAPDLIGMGKSDKPDLDYFFDDHVRYLDAFIEALGLEEVVLVIHDWGSALGFHWAKRNPERVKGIACME-FIRPIPTWDEWPEFARETFQAFRTADVGRELIIDQNAFIEGALPKCVVRPLTEVEMDHYREPFLKPVDREPLWRFPNELPIAGEPANIVALVEAYMNWLHQSPVPKLLFWGTPGVLIPPAEAARLAESLPNCKTVDIGPGLHYLQEDNPDLIGSEIARWLPAL + ISPEFPYTKHSIDVLGARMAYVDEG--EGDPILFIHGNPTSSYLWRNVLPHVRHLGRCIAVDLIGMGDSDKPDIAYRFDDHARYLAGFIAALGLRRITLVVHDWGSALGFDWAMRHPELVRGLAFMEAIVTPMPSWDDFPAAGRAMFQAFRTPGVGERLVLDDNVFVEQALPASVVRGLTPAELQHYRAPFLDRAARRPVLAWPRELPIAGEPADVVARVERYRDALCRSDLPKLLFTVEPGVLIPAAVARWCRAHLPRLEVIELGHGLHFVQEDHPHAIGRGLADWLSRL + I FP+ H ++VLG RM YVD G +G P+LF+HGNPTSSYLWRN++PHV RCIA DLIGMG SDKPD+ Y FDDH RYL FI ALGL + LV+HDWGSALGF WA R+PE V+G+A ME + P+P+WD++P R FQAFRT VG L++D N F+E ALP VVR LT E+ HYR PFL R P+ +P ELPIAGEPA++VA VE Y + L +S +PKLLF PGVLIP A A LP + +++G GLH++QED+P IG +A WL L + + + + + 29 + ref|XP_024771713.1| + hypothetical protein M431DRAFT_91786 [Trichoderma harzianum CBS 226.95] + XP_024771713 + 301 + + + 1 + 323.168 + 827 + 5.87101e-107 + 4 + 291 + 9 + 298 + 0 + 0 + 157 + 197 + 2 + 290 + IGTGFPFDPHYVEVLGERMHYVDVGPRDGTPVLFLHGNPTSSYLWRNIIPHVAPSHRCIAPDLIGMGKSDK-PDLDYFFDDHVRYLDAFIEA-LGLEEVVLVIHDWGSALGFHWAKRNPERVKGIACMEFIRPIPTWDEWPEFARETFQAFRTADVGRELIIDQNAFIEGALPKCVVRPLTEVEMDHYREPFLKPVDREPLWRFPNELPIAGEPANIVALVEAYMNWLHQSPVPKLLFWGTPGVLIPPAEAARLAESLPNCKTVDIGPGLHYLQEDNPDLIGSEIARWLP + ISAEFPFEKQKIEILGSHIAYVDVGASEGSATIFLHGNPTSSYVWRNIIPHVCDNSRCIAPDLMGFGDSDKVAGLEYRIADHQRYLDAFLDAVLPTEKVTLVVHDWGSALGFDWARRHQDRVTGLSFFEFVLPAPSWDVFPPAVAENFIPFRDPKLGRELLINQNVFIEKILPLNVLRKLSEEEMKQYRRPFLQLESREPLWRFPNEIPIEGHPADVWEKVTKYIDWLSHTDIPKLFFWAEPAVVITKDTVENFVKKLHNTKIVHLGPGLHYFQEDYPHTIGREIAQWLP + I FPF+ +E+LG + YVDVG +G+ +FLHGNPTSSY+WRNIIPHV + RCIAPDL+G G SDK L+Y DH RYLDAF++A L E+V LV+HDWGSALGF WA+R+ +RV G++ EF+ P P+WD +P E F FR +GREL+I+QN FIE LP V+R L+E EM YR PFL+ REPLWRFPNE+PI G PA++ V Y++WL + +PKL FW P V+I + L N K V +GPGLHY QED P IG EIA+WLP + + + + + 30 + ref|WP_394841873.1| + haloalkane dehalogenase [Pendulispora brunnea] + WP_394841873 + 294 + + + 1 + 322.013 + 824 + 1.47475e-106 + 3 + 290 + 5 + 291 + 0 + 0 + 162 + 198 + 3 + 289 + EIGTGFPFDPHYVEVLGERMHYVDVGPRDGTPVLFLHGNPTSSYLWRNIIPHVAPSHRCIAPDLIGMGKSDKPDLDYFFDDHVRYLDAFIEALGLEEVVLVIHDWGSALGFHWAKRNPERVKGIACME-FIRPIPTWDEWPEFARETFQAFRTADVGRELIIDQNAFIEGALPKCVVRPLTEVEMDHYREPFLKPVDREPLWRFPNELPIAGEPANIVALVEAYMNWLHQSPVPKLLFWGTPGVLIPPAEAARLAESLPNCKTVDIGPGLHYLQEDNPDLIGSEIARWL + SISSDFPFQHRYIDVHGSRMAYVDEG--QGDPVLFLHGNPASSYLWRNIIPHVRGLGRAIAPDLIGMGRSDKPDIGYQFADHARYLEGFIEKLGLERITLVIHDWGSALGFDWAMRHESRVRGIAFMEPILAPVPSWEQFPEAVRDIFQKMRTPGVGEAMVLDENFFIEHLLPGAIVRKLTAVEMDHYRAPFPDRASRKPTLAWPRQIPIAGEPPEIVDIVSRSRDALRRSKLPKLLFTAEPGALMQPPLVAWCKDNLPNLEVVPVGQGIHYLQEDNPHLIGRTLAEWL + I + FPF Y++V G RM YVD G G PVLFLHGNP SSYLWRNIIPHV R IAPDLIGMG+SDKPD+ Y F DH RYL+ FIE LGLE + LVIHDWGSALGF WA R+ RV+GIA ME + P+P+W+++PE R+ FQ RT VG +++D+N FIE LP +VR LT VEMDHYR PF R+P +P ++PIAGEP IV +V + L +S +PKLLF PG L+ P A ++LPN + V +G G+HYLQEDNP LIG +A WL + + + + + 31 + ref|WP_275184706.1| + haloalkane dehalogenase [Bradyrhizobium sp. CSA112] + WP_275184706 + 304 + + + 1 + 322.013 + 824 + 1.81214e-106 + 17 + 294 + 16 + 295 + 0 + 0 + 160 + 195 + 4 + 281 + VLGERMHYVDVGPRDGTPV-LFLHGNPTSSYLWRNIIPHVAPSHRCIAPDLIGMGKSDKPDLDYFFDDHVRYLDAFIEALGLEEVVLVIHDWGSALGFHWAKRNPERVKGIACMEFIRPIPTWDEWPEF--ARETFQAFRTADVGRELIIDQNAFIEGALPKCVVRPLTEVEMDHYREPFLKPVDREPLWRFPNELPIAGEPANIVALVEAYMNWLHQSPVPKLLFWGTPGVLIPPAEAARLAESLPNCKTVDIGPGLHYLQEDNPDLIGSEIARWLPALH + VLDSAMSYREMG-QPGAPVALFLHGNPTSSYIWRNIIPHVAPVARCIAPDLIGFGQSGKPDIDYRFEDHVRYLDAFIAAAGIRSAYLVAQDWGTALAFHLAARRPDFVRGLAFMEFIRPMPTWDEFHQVPAARETFRQFRTPGEGEQMILDGNAFVERILPGSILRKLSEQEMAVYRAPFPSPESRRPIWRLPNELPIAGEPADVYATLERAHAALASSRYPKLLFAGDPGALVSPGFAERFASGLHNCELVQLGAGAHYLQEDHPETIGKSVAAWIAGIQ + VL M Y ++G + G PV LFLHGNPTSSY+WRNIIPHVAP RCIAPDLIG G+S KPD+DY F+DHVRYLDAFI A G+ LV DWG+AL FH A R P+ V+G+A MEFIRP+PTWDE+ + ARETF+ FRT G ++I+D NAF+E LP ++R L+E EM YR PF P R P+WR PNELPIAGEPA++ A +E L S PKLLF G PG L+ P A R A L NC+ V +G G HYLQED+P+ IG +A W+ + + + + + + 32 + ref|WP_217079477.1| + haloalkane dehalogenase [Citreicoccus inhibens] + WP_217079477 + 295 + + + 1 + 321.242 + 822 + 2.87338e-106 + 1 + 293 + 1 + 292 + 0 + 0 + 161 + 200 + 3 + 294 + MSEIGTGFPFDPHYVEVLGERMHYVDVGPRDGTPVLFLHGNPTSSYLWRNIIPHVAPSHRCIAPDLIGMGKSDKPDLDYFFDDHVRYLDAFIEALGLEEVVLVIHDWGSALGFHWAKRNPERVKGIACME-FIRPIPTWDEWPEFARETFQAFRTADVGRELIIDQNAFIEGALPKCVVRPLTEVEMDHYREPFLKPVDREPLWRFPNELPIAGEPANIVALVEAYMNWLHQSPVPKLLFWGTPGVLIPPAEAARLAESLPNCKTVDIGPGLHYLQEDNPDLIGSEIARWLPAL + MTSISAEFPFTHRFVEVHGSRMAYVDEG--QGAPILFLHGNPTSSYLWRNVIPHLRGLGRCIAPDLIGMGASDKPELSYRFVDHARYLDGFISALGLNRITLVVHDWGSALGLDWAMRHSERVRGVVFMEAFLSPLASWEQFPERARGLFQRFRDPGVGEDLVLDQNIFVEQVLPGSVVRGLTPAEMAHYRAPFPDRTSRKPTLAWPREIPVAGHPVDVARIVERYRDALCHSPLPKLLFAVEPGVLVPPPLVAWCREHLPHLEVIDLGRGLHFIQEDHPHAIGQGIADWMRRL + M+ I FPF +VEV G RM YVD G G P+LFLHGNPTSSYLWRN+IPH+ RCIAPDLIGMG SDKP+L Y F DH RYLD FI ALGL + LV+HDWGSALG WA R+ ERV+G+ ME F+ P+ +W+++PE AR FQ FR VG +L++DQN F+E LP VVR LT EM HYR PF R+P +P E+P+AG P ++ +VE Y + L SP+PKLLF PGVL+PP A E LP+ + +D+G GLH++QED+P IG IA W+ L + + + + + 33 + ref|WP_015350954.1| + haloalkane dehalogenase [Myxococcus stipitatus] + WP_015350954 + 296 + + + 1 + 320.857 + 821 + 4.16895e-106 + 4 + 290 + 6 + 291 + 0 + 0 + 162 + 199 + 3 + 288 + IGTGFPFDPHYVEVLGERMHYVDVGPRDGTPVLFLHGNPTSSYLWRNIIPHVAPSHRCIAPDLIGMGKSDKPDLDYFFDDHVRYLDAFIEALGLEEVVLVIHDWGSALGFHWAKRNPERVKGIACME-FIRPIPTWDEWPEFARETFQAFRTADVGRELIIDQNAFIEGALPKCVVRPLTEVEMDHYREPFLKPVDREPLWRFPNELPIAGEPANIVALVEAYMNWLHQSPVPKLLFWGTPGVLIPPAEAARLAESLPNCKTVDIGPGLHYLQEDNPDLIGSEIARWL + ISADFPFTHRFVEVHGSRMAYVDEG--QGDPLLFLHGNPTSSYLWRNILPHVKGLGRCIAPDLIGMGRSDKPDLAYRFADHARYLDGFISALGLERITLVLHDWGSALGLDWAMRNEDKVQGLAFMEAFLSPLSGWEQFPAKARDLFRAFRTPGVGESLVLDQNVFVEKVLPGSVVRGLTPEELAHYRAPFPDRASRRPTLAWPNEIPIDGHPADVADIVVRYREALRRSPLPKLLFAVEPGVLLPPPLVAWCRENLPRLEVIELGQGLHYIQEDHPHAIGQGLADWL + I FPF +VEV G RM YVD G G P+LFLHGNPTSSYLWRNI+PHV RCIAPDLIGMG+SDKPDL Y F DH RYLD FI ALGLE + LV+HDWGSALG WA RN ++V+G+A ME F+ P+ W+++P AR+ F+AFRT VG L++DQN F+E LP VVR LT E+ HYR PF R P +PNE+PI G PA++ +V Y L +SP+PKLLF PGVL+PP A E+LP + +++G GLHY+QED+P IG +A WL + + + + + 34 + ref|WP_211304685.1| + haloalkane dehalogenase [Umezawaea tangerina] + WP_211304685 + 290 + + + 1 + 319.701 + 818 + 8.99558e-106 + 15 + 293 + 9 + 285 + 0 + 0 + 157 + 196 + 2 + 279 + VEVLGERMHYVDVGPRDGTPVLFLHGNPTSSYLWRNIIPHVAPSHRCIAPDLIGMGKSDKPDLDYFFDDHVRYLDAFIEALGLEEVVLVIHDWGSALGFHWAKRNPERVKGIACMEFIRPIPTWDEWPEFARETFQAFRTADVGRELIIDQNAFIEGALPKCVVRPLTEVEMDHYREPFLKPVDREPLWRFPNELPIAGEPANIVALVEAYMNWLHQSPVPKLLFWGTPGVLIPPAEAARLAESLPNCKTVDIGPGLHYLQEDNPDLIGSEIARWLPAL + VTVLGSRMAYVDEG--QGAAVVFQHGNPTSSYLWRDVIPRVAPRARCVAADLIGMGRSDQPGLGYRVEEHARYFEAFMDALDLRDVVLVLHDWGSALGLDWARRHPDRVRGLVLMEFIRPIPTWLDVSEAGAAVFRGFRDPEVGRRQLVEENRFIEQVLPAGVVGGLPDDVLDVYRQPFLDPAHREPLYRFPNELPIAGHPADTWAMASAYHEWLLDTDLPKVFFWVTPGSLISPERAAWYSERLKNCHSIHLGEGRHYLQEDHGDRIGREIASWLSTL + V VLG RM YVD G G V+F HGNPTSSYLWR++IP VAP RC+A DLIGMG+SD+P L Y ++H RY +AF++AL L +VVLV+HDWGSALG WA+R+P+RV+G+ MEFIRPIPTW + E F+ FR +VGR ++++N FIE LP VV L + +D YR+PFL P REPL+RFPNELPIAG PA+ A+ AY WL + +PK+ FW TPG LI P AA +E L NC ++ +G G HYLQED+ D IG EIA WL L + + + + + 35 + ref|WP_206716223.1| + haloalkane dehalogenase [Myxococcus landrumus] + WP_206716223 + 296 + + + 1 + 319.701 + 818 + 1.10149e-105 + 2 + 290 + 4 + 291 + 0 + 0 + 161 + 199 + 3 + 290 + SEIGTGFPFDPHYVEVLGERMHYVDVGPRDGTPVLFLHGNPTSSYLWRNIIPHVAPSHRCIAPDLIGMGKSDKPDLDYFFDDHVRYLDAFIEALGLEEVVLVIHDWGSALGFHWAKRNPERVKGIACME-FIRPIPTWDEWPEFARETFQAFRTADVGRELIIDQNAFIEGALPKCVVRPLTEVEMDHYREPFLKPVDREPLWRFPNELPIAGEPANIVALVEAYMNWLHQSPVPKLLFWGTPGVLIPPAEAARLAESLPNCKTVDIGPGLHYLQEDNPDLIGSEIARWL + SPISADFPFTHHFVEVHGSRMAYVDEG--QGDPILFLHGNPTSSYLWRNIIPHVKGLGRCIAPDLIGMGRSDKPDLAYRFADHARYLDGFISALGLKRITLVLHDWGSALGLDWAMRNEDKVRGLAFMEAFLSPLSGWEQFPAKARDLFRAFRTPGVGESLVMDQNVFVEKILPGSIVRGLTPEELAQYRAPFPDRASRRPTLAWPNEIPIDGHPADVADIVVRYREALRRSSLPKLLFAVEPGVLLPPPLVAWCRENLPRLEVIELGQGLHYIQEDHPQAIGQGLADWL + S I FPF H+VEV G RM YVD G G P+LFLHGNPTSSYLWRNIIPHV RCIAPDLIGMG+SDKPDL Y F DH RYLD FI ALGL+ + LV+HDWGSALG WA RN ++V+G+A ME F+ P+ W+++P AR+ F+AFRT VG L++DQN F+E LP +VR LT E+ YR PF R P +PNE+PI G PA++ +V Y L +S +PKLLF PGVL+PP A E+LP + +++G GLHY+QED+P IG +A WL + + + + + 36 + ref|WP_137955441.1| + haloalkane dehalogenase [Burkholderia sp. 4M9327F10] + WP_137955441 + 302 + + + 1 + 320.087 + 819 + 1.10749e-105 + 4 + 293 + 1 + 290 + 0 + 0 + 155 + 195 + 0 + 290 + IGTGFPFDPHYVEVLGERMHYVDVGPRDGTPVLFLHGNPTSSYLWRNIIPHVAPSHRCIAPDLIGMGKSDKPDLDYFFDDHVRYLDAFIEALGLEEVVLVIHDWGSALGFHWAKRNPERVKGIACMEFIRPIPTWDEWPEFARETFQAFRTADVGRELIIDQNAFIEGALPKCVVRPLTEVEMDHYREPFLKPVDREPLWRFPNELPIAGEPANIVALVEAYMNWLHQSPVPKLLFWGTPGVLIPPAEAARLAESLPNCKTVDIGPGLHYLQEDNPDLIGSEIARWLPAL + MSTLFDVELPKVQVLGSTMAYREAGDAEAPVALFLHGNPTSSYIWRNIIPRVAPLAHCIAPDLIGFGQSGKPDIEYRFADHVRYLDAFLAHAGISSAFVIAQDWGTALAFHLAARRPEFIRGLAFMEFIRPMPTWDDFHAEAREIFAKFRTPGVGEEMILEGNVFVEQVLPGGMVRRLTDEEMSVYRAPFPTPESRRPTWRFPNELPIAGEPADVYSTLEEAHRALAQSSYPKLLFTATPGALVTPAVADNFSNKLKDCKAVELGAGIHYLQEDHPDTIGAAVSEWLIGL + + T F + V+VLG M Y + G + LFLHGNPTSSY+WRNIIP VAP CIAPDLIG G+S KPD++Y F DHVRYLDAF+ G+ ++ DWG+AL FH A R PE ++G+A MEFIRP+PTWD++ ARE F FRT VG E+I++ N F+E LP +VR LT+ EM YR PF P R P WRFPNELPIAGEPA++ + +E L QS PKLLF TPG L+ PA A + L +CK V++G G+HYLQED+PD IG+ ++ WL L + + + + + 37 + ref|XP_024773522.1| + hypothetical protein M431DRAFT_6125 [Trichoderma harzianum CBS 226.95] + XP_024773522 + 304 + + + 1 + 320.087 + 819 + 1.32101e-105 + 1 + 291 + 1 + 300 + 0 + 0 + 165 + 203 + 9 + 300 + MSEIGTG----FPFDPHYVEVLGERMHYVDVGPRDGTP--VLFLHGNPTSSYLWRNIIPHVAPSHRCIAPDLIGMGKSDKPDLDYFFDDHVRYLDAFIEA-LGLEEVVLVIHDWGSALGFHWAKRNPERVKGIACMEFIRPIPTWDEWPEFARETFQAFRTAD--VGRELIIDQNAFIEGALPKCVVRPLTEVEMDHYREPFLKPVDREPLWRFPNELPIAGEPANIVALVEAYMNWLHQSPVPKLLFWGTPGVLIPPAEAARLAESLPNCKTVDIGPGLHYLQEDNPDLIGSEIARWLP + MTEVPTAISGEFPFEKKKVQILGSQMAYVDVGASDQKSAVTVFLHGVPTSSYLWRNIIPYAAEKGRCIAPDLIGFGNSDKVPGAYFFEDHQRYIDAFLDTVLPTQAINLVIHDWGSALGFNWARRNEHRLAGIAFMEFIHPIANWSDLPPVMVENWKKFRDPDTQVGRSLLIDQNVFIEHNLPGGVVRPLTDEEMNAYREPFLQPEWREPIYRLPNELPVEGQPENTWSYAKKYMEWLLASDKPKLLFWAKPGGLVWEAKAEELAQRLKNTKVVYLGEAIHYVQEDDPHTIGRELANWLP + M+E+ T FPF+ V++LG +M YVDVG D +FLHG PTSSYLWRNIIP+ A RCIAPDLIG G SDK YFF+DH RY+DAF++ L + + LVIHDWGSALGF+WA+RN R+ GIA MEFI PI W + P E ++ FR D VGR L+IDQN FIE LP VVRPLT+ EM+ YREPFL+P REP++R PNELP+ G+P N + + YM WL S PKLLFW PG L+ A+A LA+ L N K V +G +HY+QED+P IG E+A WLP + + + + + 38 + ref|WP_394831193.1| + haloalkane dehalogenase [Pendulispora rubella] + WP_394831193 + 295 + + + 1 + 319.316 + 817 + 1.8994e-105 + 3 + 290 + 5 + 291 + 0 + 0 + 160 + 199 + 3 + 289 + EIGTGFPFDPHYVEVLGERMHYVDVGPRDGTPVLFLHGNPTSSYLWRNIIPHVAPSHRCIAPDLIGMGKSDKPDLDYFFDDHVRYLDAFIEALGLEEVVLVIHDWGSALGFHWAKRNPERVKGIACME-FIRPIPTWDEWPEFARETFQAFRTADVGRELIIDQNAFIEGALPKCVVRPLTEVEMDHYREPFLKPVDREPLWRFPNELPIAGEPANIVALVEAYMNWLHQSPVPKLLFWGTPGVLIPPAEAARLAESLPNCKTVDIGPGLHYLQEDNPDLIGSEIARWL + SISSDFPFQHRSIDVHGSRMAYVDEG--QGDPILFLHGNPTSSYLWRNIIPHVRGLGRAIAPDLIGMGRSDKPDIGYRFADHARYLDGFISALGLERITLVIHDWGSALGFDWAMRHESRVRGIAFMEPILAPIPSWERFPDAVRDVFQKLRTPGVGEAMVLDENFFIEHLLPGAIVRKLTDTEMDHYRAPFPDRASRKPTLVWPRQIPVAGEPADVVDIVSRSRDALCRSKLPKLLFTGEPGGLMQAPLVAWCKDNLPNLEVVPVGQGIHYLQEDNPHLIGKTLAEWL + I + FPF ++V G RM YVD G G P+LFLHGNPTSSYLWRNIIPHV R IAPDLIGMG+SDKPD+ Y F DH RYLD FI ALGLE + LVIHDWGSALGF WA R+ RV+GIA ME + PIP+W+ +P+ R+ FQ RT VG +++D+N FIE LP +VR LT+ EMDHYR PF R+P +P ++P+AGEPA++V +V + L +S +PKLLF G PG L+ A ++LPN + V +G G+HYLQEDNP LIG +A WL + + + + + 39 + ref|WP_028210853.1| + haloalkane dehalogenase [Paraburkholderia mimosarum] + WP_028210853 + 303 + + + 1 + 319.316 + 817 + 2.3538e-105 + 4 + 293 + 1 + 290 + 0 + 0 + 153 + 197 + 0 + 290 + IGTGFPFDPHYVEVLGERMHYVDVGPRDGTPVLFLHGNPTSSYLWRNIIPHVAPSHRCIAPDLIGMGKSDKPDLDYFFDDHVRYLDAFIEALGLEEVVLVIHDWGSALGFHWAKRNPERVKGIACMEFIRPIPTWDEWPEFARETFQAFRTADVGRELIIDQNAFIEGALPKCVVRPLTEVEMDHYREPFLKPVDREPLWRFPNELPIAGEPANIVALVEAYMNWLHQSPVPKLLFWGTPGVLIPPAEAARLAESLPNCKTVDIGPGLHYLQEDNPDLIGSEIARWLPAL + MTTLFDVELPHVNVLGSTMAYREAGNPDAAVALFLHGNPTSSYIWRKIIPLVAPVAHCIAPDLIGFGQSGKPDIEYRFADHVRYLDAFLANVGISSAFVMAQDWGTALAFHLADRRPEFMRGLAFMEFIWPMPTWDDFHPDARETFQKFRTPGVGEQMILEDNAFVEKILPGATMRKLTDQEMSVYRAPFPTAESRRPTWRFPNELPIAGQPADVYSTLETAHRALAQSSYPKLLFTATPGALVSPSVTKRFAKNIKDCKIVDLGAGIHYLQEDHPELIGATVKEWLIGL + + T F + +V VLG M Y + G D LFLHGNPTSSY+WR IIP VAP CIAPDLIG G+S KPD++Y F DHVRYLDAF+ +G+ ++ DWG+AL FH A R PE ++G+A MEFI P+PTWD++ ARETFQ FRT VG ++I++ NAF+E LP +R LT+ EM YR PF R P WRFPNELPIAG+PA++ + +E L QS PKLLF TPG L+ P+ R A+++ +CK VD+G G+HYLQED+P+LIG+ + WL L + + + + + 40 + ref|XP_018666574.1| + twin-arginine translocation pathway signal [Trichoderma gamsii] + XP_018666574 + 303 + + + 1 + 319.316 + 817 + 2.56855e-105 + 3 + 293 + 8 + 301 + 0 + 0 + 162 + 201 + 5 + 295 + EIGTGFPFDPHYVEVLGERMHYVDVGPRDGTPVLFLHGNPTSSYLWRNIIPHVAPSHRCIAPDLIGMGKSDK-PDLDYFFDDHVRYLDAFIEA-LGLEEVVLVIHDWGSALGFHWAKRNPERVKGIACMEFIRPIPT-WD-EWPEFARETFQAFRTADVGRELIIDQNAFIEGALPKCVVRPLTEVEMDHYREPFLKPVDREPLWRFPNELPIAGEPANIVALVEAYMNWLHQSPVPKLLFWGTPGVLIPPAEAARLAESLPNCKTVDIGPGLHYLQEDNPDLIGSEIARWLPAL + EISAAFPYEKKKVQVLGSQMAYVDVGTSSKSTVVFLHGNPTSSYLWRNVFPHVAKKSRCIIPDLIGFGDSDKVPELEYRVRDHQRYIDAFLDAVLPTERITLVIHDWGSALGFDWASRHEDRVAGVAFMEWIPALSGGWDAQAPQF-KATFQPLRTPELGRELIIEQNFFIEIILPRGVFRVLTEEEMTEYRRPFLVPADREPTWRFPNEIPIDGHPEDVWEKAQRYMKWLQESDLPKLFFWVKPGAIIREEHFKTLSEKMKNVKTVYLGPGSHYVQEDYPHSIGQEVSGWMAEL + EI FP++ V+VLG +M YVDVG + V+FLHGNPTSSYLWRN+ PHVA RCI PDLIG G SDK P+L+Y DH RY+DAF++A L E + LVIHDWGSALGF WA R+ +RV G+A ME+I + WD + P+F + TFQ RT ++GRELII+QN FIE LP+ V R LTE EM YR PFL P DREP WRFPNE+PI G P ++ + YM WL +S +PKL FW PG +I L+E + N KTV +GPG HY+QED P IG E++ W+ L + + + + + 41 + ref|WP_171836860.1| + haloalkane dehalogenase [Lichenicola cladoniae] + WP_171836860 + 290 + + + 1 + 318.546 + 815 + 3.08906e-105 + 11 + 293 + 6 + 289 + 0 + 0 + 157 + 198 + 1 + 284 + DPHYVEVLGERMHYVDVGPRDGTPV-LFLHGNPTSSYLWRNIIPHVAPSHRCIAPDLIGMGKSDKPDLDYFFDDHVRYLDAFIEALGLEEVVLVIHDWGSALGFHWAKRNPERVKGIACMEFIRPIPTWDEWPEFARETFQAFRTADVGRELIIDQNAFIEGALPKCVVRPLTEVEMDHYREPFLKPVDREPLWRFPNELPIAGEPANIVALVEAYMNWLHQSPVPKLLFWGTPGVLIPPAEAARLAESLPNCKTVDIGPGLHYLQEDNPDLIGSEIARWLPAL + DMKYVEVLGSKIAYVDTGGHHKKPVVLFQHGNPTSSYLWRDVIPHVAPHARCIAADLIGFGYSDKPDIAYRVEDHARYFESFIEALSIEDVVLVLHDWGSALGLDWARRHEKRVRGLVLMEFIPPIPTWGDMLPKVAQAFRCFRDPVQGRKMVVDENGFVEQTLPGDVVGGLSEEVMEVYRAPFLDPAHREPVYRFPNELPIAGLPVDVWAMATAYHNWLLGNDVSKLFFWVEPGALIPAERGAWYAEHLRNCRSVALGAGEHFLQENHADIIGQEITQWLLTL + D YVEVLG ++ YVD G PV LF HGNPTSSYLWR++IPHVAP RCIA DLIG G SDKPD+ Y +DH RY ++FIEAL +E+VVLV+HDWGSALG WA+R+ +RV+G+ MEFI PIPTW + + F+ FR GR++++D+N F+E LP VV L+E M+ YR PFL P REP++RFPNELPIAG P ++ A+ AY NWL + V KL FW PG LIP A AE L NC++V +G G H+LQE++ D+IG EI +WL L + + + + + 42 + ref|XP_018067436.1| + alpha/beta-hydrolase, partial [Mollisia scopiformis] + XP_018067436 + 296 + + + 1 + 318.546 + 815 + 3.14125e-105 + 2 + 287 + 7 + 296 + 0 + 0 + 158 + 199 + 4 + 290 + SEIGTGFPFDPHYVEVLGERMHYVDVGP--RDGTPVLFLHGNPTSSYLWRNIIPHVAPSHRCIAPDLIGMGKSDKPDLDYFFDDHVRYLDAFIEALG-LEEVVLVIHDWGSALGFHWAKRNPERVKGIACMEFIRPIPTWDEWPEF-ARETFQAFRTADVGRELIIDQNAFIEGALPKCVVRPLTEVEMDHYREPFLKPVDREPLWRFPNELPIAGEPANIVALVEAYMNWLHQSPVPKLLFWGTPGVLIPPAEAARLAESLPNCKTVDIGPGLHYLQEDNPDLIGSEIA + SDISSDFPFILRHTAVLDSEMAYIDTGSTKSSATTAILLHGNPTSSYIWRNIIPHVSPKLRCVAPDLIGMGKSGKPDISYRFVDHVRYLDAFLDAITPTGKVVFVIQDWGSALGFHWASHHQDRVAGLAFMEFIRPFPAWDDAGKSQAVETFKAFRTPVVGRKLLIEDNLFVKAILPKGVVRELTEAEKTYYESPFLDEKSREPVYRWPNEIPIEGSPADVYDIAEKYHSWLLDSEVPKLMFWATPGTFVREEQAQWYMENLKNVRGVFLGKGTHYLQEDHPHRIGQEVA + S+I + FPF + VL M Y+D G T + LHGNPTSSY+WRNIIPHV+P RC+APDLIGMGKS KPD+ Y F DHVRYLDAF++A+ +VV VI DWGSALGFHWA + +RV G+A MEFIRP P WD+ + A ETF+AFRT VGR+L+I+ N F++ LPK VVR LTE E +Y PFL REP++R+PNE+PI G PA++ + E Y +WL S VPKL+FW TPG + +A E+L N + V +G G HYLQED+P IG E+A + + + + + 43 + ref|WP_129334601.1| + haloalkane dehalogenase [Ciceribacter ferrooxidans] + WP_129334601 + 304 + + + 1 + 318.546 + 815 + 4.43636e-105 + 8 + 290 + 3 + 287 + 0 + 0 + 160 + 199 + 4 + 286 + FPFDPHYVEVLGERMHYVDVGPRDGTPVLFLHGNPTSSYLWRNIIPHVAPSHRCIAPDLIGMGKSDKPDLDYFFDDHVRYLDAFIEALGLEEVVLVIHDWGSALGFHWAKRNPERVKGIACMEFIRPIPTWDEW--PEFARETFQAFRTADVGRELIIDQNAFIEGALPKCVVRPLTEVEMDHYREPFLKPVDREPLWRFPNELPIAGEPANI-VALVEAYMNWLHQSPVPKLLFWGTPGVLIPPAEAARLAESLPNCKTVDIGPGLHYLQEDNPDLIGSEIARWL + FDIDLPHRAVLGSHMAYREAGSENGPVALFLHGNPTSSYIWRNILPHVAPAARCIAPDLIGFGQSGKPDIDYRFVDHIRYLDAFIEAQGISSAYLVAQDWGTALAFHLAARRPDFVRGLAFMEFIRPMVSWDDFHQVEAARETFRKFRTPGEGERMIIEGNAFVERVLPGSVIRKLTDEEMAVYRTPFATPKARKPTWRFPNELPIAGEPADVHEMLLEAHLALAH-SRYPKLLFAGNPGALVSPAFAEGFAAKLHDCRLVQLGAGAHYLQEDHPEIIGRAVAEWI + F D + VLG M Y + G +G LFLHGNPTSSY+WRNI+PHVAP+ RCIAPDLIG G+S KPD+DY F DH+RYLDAFIEA G+ LV DWG+AL FH A R P+ V+G+A MEFIRP+ +WD++ E ARETF+ FRT G +II+ NAF+E LP V+R LT+ EM YR PF P R+P WRFPNELPIAGEPA++ L+EA++ H S PKLLF G PG L+ PA A A L +C+ V +G G HYLQED+P++IG +A W+ + + + + + 44 + ref|WP_202636830.1| + haloalkane dehalogenase [Rugosibacter aromaticivorans] + WP_202636830 + 297 + + + 1 + 318.546 + 815 + 4.50754e-105 + 2 + 289 + 6 + 292 + 0 + 0 + 161 + 198 + 3 + 289 + SEIGTGFPFDPHYVEVLGERMHYVDVGPRDGTPVLFLHGNPTSSYLWRNIIPHVAPSHRCIAPDLIGMGKSDKPDLDYFFDDHVRYLDAFIEALGLEEVVLVIHDWGSALGFHWAKRNPERVKGIACME-FIRPIPTWDEWPEFARETFQAFRTADVGRELIIDQNAFIEGALPKCVVRPLTEVEMDHYREPFLKPVDREPLWRFPNELPIAGEPANIVALVEAYMNWLHQSPVPKLLFWGTPGVLIPPAEAARLAESLPNCKTVDIGPGLHYLQEDNPDLIGSEIARW + KSISADFPFAPHDIKIFGSHMNYVDVG--RGDPIVFLHGNPTSSYLWRNIIPYLEPYARCIAPDLIGFGKSDKPALEYRVFDHVRYLDEFFDALGLKKFTLVIHDWGSALGFNYARRFPERIKAIAFMEAMIAPMPAIDMFPPAIAEAFRGFRTPGVGWRMIAEENQFIEGVLPSTILRKLTAVEMDHYRAPFPTVESRRPIAQFPKELSFAGEPADVTWMIKKYNAWLCTAQHPKLLLHARPGVLIRPQEVTWCQENLTALETVDLGEGLHYLQEDHPHEIGTAIASW + I FPF PH +++ G M+YVDVG G P++FLHGNPTSSYLWRNIIP++ P RCIAPDLIG GKSDKP L+Y DHVRYLD F +ALGL++ LVIHDWGSALGF++A+R PER+K IA ME I P+P D +P E F+ FRT VG +I ++N FIEG LP ++R LT VEMDHYR PF R P+ +FP EL AGEPA++ +++ Y WL + PKLL PGVLI P E E+L +TVD+G GLHYLQED+P IG+ IA W + + + + + 45 + ref|WP_342962753.1| + haloalkane dehalogenase [Paraburkholderia sp. JHI2823] + WP_342962753 + 303 + + + 1 + 317.775 + 813 + 8.16782e-105 + 4 + 293 + 1 + 290 + 0 + 0 + 152 + 196 + 0 + 290 + IGTGFPFDPHYVEVLGERMHYVDVGPRDGTPVLFLHGNPTSSYLWRNIIPHVAPSHRCIAPDLIGMGKSDKPDLDYFFDDHVRYLDAFIEALGLEEVVLVIHDWGSALGFHWAKRNPERVKGIACMEFIRPIPTWDEWPEFARETFQAFRTADVGRELIIDQNAFIEGALPKCVVRPLTEVEMDHYREPFLKPVDREPLWRFPNELPIAGEPANIVALVEAYMNWLHQSPVPKLLFWGTPGVLIPPAEAARLAESLPNCKTVDIGPGLHYLQEDNPDLIGSEIARWLPAL + MTTLFDVELPHVNVLGSTMAYREAGNPDAAVALFLHGNPTSSYIWRKIIPLVAPVAHCIAPDLIGFGQSGKPDIEYRFADHVRYLDAFLANVGISSAFVMAQDWGTALAFHLADRRPEFMRGLAFMEFIWPMPTWDDFHPDARETFQKFRTPGVGEQMILEDNAFVEKILPGATMRKLTDQEMSVYRAPFPTAESRRPTWRFPNELPIAGQPADVYSTLETAHRALAQSSYPKLLFTATPGALVSPSVTKRFAKNIKDCKIVDLGAGIHYFQEDHPELIGATVKEWLIGL + + T F + +V VLG M Y + G D LFLHGNPTSSY+WR IIP VAP CIAPDLIG G+S KPD++Y F DHVRYLDAF+ +G+ ++ DWG+AL FH A R PE ++G+A MEFI P+PTWD++ ARETFQ FRT VG ++I++ NAF+E LP +R LT+ EM YR PF R P WRFPNELPIAG+PA++ + +E L QS PKLLF TPG L+ P+ R A+++ +CK VD+G G+HY QED+P+LIG+ + WL L + + + + + 46 + ref|WP_184144246.1| + haloalkane dehalogenase [Paraburkholderia atlantica] + WP_184144246 + 303 + + + 1 + 317.775 + 813 + 8.81624e-105 + 15 + 293 + 12 + 290 + 0 + 0 + 151 + 191 + 0 + 279 + VEVLGERMHYVDVGPRDGTPVLFLHGNPTSSYLWRNIIPHVAPSHRCIAPDLIGMGKSDKPDLDYFFDDHVRYLDAFIEALGLEEVVLVIHDWGSALGFHWAKRNPERVKGIACMEFIRPIPTWDEWPEFARETFQAFRTADVGRELIIDQNAFIEGALPKCVVRPLTEVEMDHYREPFLKPVDREPLWRFPNELPIAGEPANIVALVEAYMNWLHQSPVPKLLFWGTPGVLIPPAEAARLAESLPNCKTVDIGPGLHYLQEDNPDLIGSEIARWLPAL + VNVLNSTMAYREAGNPEAVVALFLHGNPTSSYIWRKIIPLVAPVAHCIAPDLIGFGQSGKPDIEYRFADHVRYLDAFLAKAGISSAFVVAQDWGTALALHLAARRPEFMRGLAFMEFIWPMPTWDDFHANARETFQKFRTSGVGEQMILEDNAFVEQVLPGGTVRKLTDQEMSVYRAPFPTAESRRPTWRFPNELPIAGQPADVYSTLESAHRALALSSYPKLLFTATPGALVAPSVAKRFATNVKDCKVVDLGAGIHYLQEDHPDLIGTTVKKWLIGL + V VL M Y + G + LFLHGNPTSSY+WR IIP VAP CIAPDLIG G+S KPD++Y F DHVRYLDAF+ G+ +V DWG+AL H A R PE ++G+A MEFI P+PTWD++ ARETFQ FRT+ VG ++I++ NAF+E LP VR LT+ EM YR PF R P WRFPNELPIAG+PA++ + +E+ L S PKLLF TPG L+ P+ A R A ++ +CK VD+G G+HYLQED+PDLIG+ + +WL L + + + + + 47 + ref|XP_056023971.1| + alpha/beta hydrolase fold domain-containing protein [Trichoderma breve] + XP_056023971 + 304 + + + 1 + 317.39 + 812 + 1.41065e-104 + 2 + 291 + 6 + 300 + 0 + 0 + 160 + 199 + 5 + 295 + SEIGTGFPFDPHYVEVLGERMHYVDVGPRDGTP--VLFLHGNPTSSYLWRNIIPHVAPSHRCIAPDLIGMGKSDKPDLDYFFDDHVRYLDAFIEA-LGLEEVVLVIHDWGSALGFHWAKRNPERVKGIACMEFIRPIPTWDEWPEFARETFQAFRTAD--VGRELIIDQNAFIEGALPKCVVRPLTEVEMDHYREPFLKPVDREPLWRFPNELPIAGEPANIVALVEAYMNWLHQSPVPKLLFWGTPGVLIPPAEAARLAESLPNCKTVDIGPGLHYLQEDNPDLIGSEIARWLP + TTISGEFPFEKKRVQILGSQMAYVDVGTSDQKSAVTVFLHGVPTSSYLWRNIIPYAAAKGRCIAPDLIGFGDSDKVSGAYFFEDHQQYIDAFLDTVLPTQAINLVIHDWGSALGFNWARRNEHRLAGIAFMEFIHPMENWSDLPPVMVENWKKFRDPDTRVGRSLLIDQNVFIEHILPGGVVRPLTDEEMDAYRKPFLQPEWREPIYRLPNELPVEGQPENTWSYAKKYMEWLFASDKPKLLFWAKPGGLVWEAKAEELTQKLKNTKVVYLGEAIHYVQEDHPHTIGRELANWLP + + I FPF+ V++LG +M YVDVG D +FLHG PTSSYLWRNIIP+ A RCIAPDLIG G SDK YFF+DH +Y+DAF++ L + + LVIHDWGSALGF+WA+RN R+ GIA MEFI P+ W + P E ++ FR D VGR L+IDQN FIE LP VVRPLT+ EMD YR+PFL+P REP++R PNELP+ G+P N + + YM WL S PKLLFW PG L+ A+A L + L N K V +G +HY+QED+P IG E+A WLP + + + + + 48 + ref|WP_189043876.1| + haloalkane dehalogenase [Aliidongia dinghuensis] + WP_189043876 + 296 + + + 1 + 317.005 + 811 + 1.61503e-104 + 13 + 290 + 4 + 282 + 0 + 0 + 156 + 191 + 3 + 280 + HYVEVLGERMHYVDVGPRDGTPVLFLHGNPTSSYLWRNIIPHVAPSHRCIAPDLIGMGKSDKPDLDYFFDDHVRYLDAFIEALGLEEVVLVIHDWGSALGFHWAKRNPERVKGIACMEFIRPIPTWDEWPEF--ARETFQAFRTADVGRELIIDQNAFIEGALPKCVVRPLTEVEMDHYREPFLKPVDREPLWRFPNELPIAGEPANIVALVEAYMNWLHQSPVPKLLFWGTPGVLIPPAEAARLAESLPNCKTVDIGPGLHYLQEDNPDLIGSEIARWL + HEIAVLGSTMSYIEAG-SDGPTVLFLHGNPTSSFIWRNIIPQVAPVARCIAPDLIGFGRSGKPDIDYRFADHARYLDAFIAALGLDRLVIVAQDWGTALAFHHARRRPETMLGLAFMEFIRPFANWDAFHQRPQARDLFQAIRTPGQGERLVLEDNVFIERVLPGSVIRPLAAAEMDAYRTPFPTPETRKPILRLPRELPVAGEPADVHAASGADHAALAASTYPKLLFCGEPGALVSPAAAAEFARTLKDCRVVNLGPGAHYLQEDHPETIGRMVRTWL + H + VLG M Y++ G DG VLFLHGNPTSS++WRNIIP VAP RCIAPDLIG G+S KPD+DY F DH RYLDAFI ALGL+ +V+V DWG+AL FH A+R PE + G+A MEFIRP WD + + AR+ FQA RT G L+++ N FIE LP V+RPL EMD YR PF P R+P+ R P ELP+AGEPA++ A A L S PKLLF G PG L+ PA AA A +L +C+ V++GPG HYLQED+P+ IG + WL + + + + + 49 + ref|WP_176136949.1| + haloalkane dehalogenase [Paraburkholderia atlantica] + WP_176136949 + 303 + + + 1 + 317.005 + 811 + 1.64225e-104 + 15 + 293 + 12 + 290 + 0 + 0 + 151 + 191 + 0 + 279 + VEVLGERMHYVDVGPRDGTPVLFLHGNPTSSYLWRNIIPHVAPSHRCIAPDLIGMGKSDKPDLDYFFDDHVRYLDAFIEALGLEEVVLVIHDWGSALGFHWAKRNPERVKGIACMEFIRPIPTWDEWPEFARETFQAFRTADVGRELIIDQNAFIEGALPKCVVRPLTEVEMDHYREPFLKPVDREPLWRFPNELPIAGEPANIVALVEAYMNWLHQSPVPKLLFWGTPGVLIPPAEAARLAESLPNCKTVDIGPGLHYLQEDNPDLIGSEIARWLPAL + VNVLDSTMAYREAGNPEAVVALFLHGNPTSSYIWRKIIPLVAPVAHCIAPDLIGFGQSGKPDIEYRFADHVRYLDAFLAKAGISSAFVVAQDWGTALALHLAARRPEFMRGLAFMEFIWPMPTWDDFHANARETFQKFRTSGVGEQMILEDNAFVEQVLPGGTVRKLTDQEMSVYRAPFPTAESRRPTWRFPNELPIAGQPADVYSTLESAHRALALSSYPKLLFTATPGALVAPSVAKRFATNVKDCKVVDLGAGIHYLQEDHPDLIGTTVKKWLIGL + V VL M Y + G + LFLHGNPTSSY+WR IIP VAP CIAPDLIG G+S KPD++Y F DHVRYLDAF+ G+ +V DWG+AL H A R PE ++G+A MEFI P+PTWD++ ARETFQ FRT+ VG ++I++ NAF+E LP VR LT+ EM YR PF R P WRFPNELPIAG+PA++ + +E+ L S PKLLF TPG L+ P+ A R A ++ +CK VD+G G+HYLQED+PDLIG+ + +WL L + + + + + 50 + ref|XP_062752970.1| + uncharacterized protein Triagg1_8125 [Trichoderma aggressivum f. europaeum] + XP_062752970 + 299 + + + 1 + 316.235 + 809 + 3.22044e-104 + 4 + 290 + 9 + 297 + 0 + 0 + 155 + 194 + 2 + 289 + IGTGFPFDPHYVEVLGERMHYVDVGPRDGTPVLFLHGNPTSSYLWRNIIPHVAPSHRCIAPDLIGMGKSDK-PDLDYFFDDHVRYLDAFIEA-LGLEEVVLVIHDWGSALGFHWAKRNPERVKGIACMEFIRPIPTWDEWPEFARETFQAFRTADVGRELIIDQNAFIEGALPKCVVRPLTEVEMDHYREPFLKPVDREPLWRFPNELPIAGEPANIVALVEAYMNWLHQSPVPKLLFWGTPGVLIPPAEAARLAESLPNCKTVDIGPGLHYLQEDNPDLIGSEIARWL + ISAEFPFEKRKLEILGSQIAYVDVGASEGSATVFLHGNPTSSYVWRNIIPHVCDKSRCIAPDLIGFGDSDKVAGLEYRIADHQRYLDAFLDVVLPTEKVTLVVHDWGSALGFDWARRHEDRITGIAFFEFVLPAPSWDVFPPAVAENFVPFRDPKLGRELLINQNVFIERVLPLNVLRKLSEEEMKQYRCPFLQLESREPLWRFPNEIPIEGHPADVWDKVTRYIDWLSHTDIQKLFFWAEPAVVITKDTVENFVKKLQNIKIVHLGPGLHYFQEDYPHTMGREIAQWL + I FPF+ +E+LG ++ YVDVG +G+ +FLHGNPTSSY+WRNIIPHV RCIAPDLIG G SDK L+Y DH RYLDAF++ L E+V LV+HDWGSALGF WA+R+ +R+ GIA EF+ P P+WD +P E F FR +GREL+I+QN FIE LP V+R L+E EM YR PFL+ REPLWRFPNE+PI G PA++ V Y++WL + + KL FW P V+I + L N K V +GPGLHY QED P +G EIA+WL + + + + + + + 364915500 + 140325772082 + 0 + 0 + 0.041 + 0.267 + 0.14 + + + + + diff --git a/py/protocol.py b/py/protocol.py new file mode 100644 index 0000000..2593e03 --- /dev/null +++ b/py/protocol.py @@ -0,0 +1,439 @@ +#! /usr/bin/env python3 +# vim:fenc=utf-8 +# +# Copyright © 2024 user +# +# Distributed under terms of the MIT license. + +import os +from Bio import Entrez, SeqIO +from Bio.Seq import Seq +from Bio.SeqFeature import SeqFeature, FeatureLocation + +from Bio.Restriction import RestrictionBatch, EcoRI, BamHI, HindIII, Bpu1102I +from Bio.Restriction import AllEnzymes, Analysis + +from Bio.Graphics import GenomeDiagram +from reportlab.lib import colors + +from Bio.Blast import NCBIWWW, NCBIXML + +# Ustawienia Entrez +Entrez.email = "baiobelfer@gmail.com" # Wpisz swój adres email + +# Funkcja do pobierania sekwencji z NCBI i zapisywania jej lokalnie +def fetch_and_save_sequence(db, id, file_path): + handle = Entrez.efetch(db=db, id=id, rettype="gb", retmode="text") + record = SeqIO.read(handle, "genbank") + handle.close() + SeqIO.write(record, file_path, "genbank") + return record + +# Funkcja do wczytywania sekwencji z lokalnego pliku +def load_local_sequence(file_path): + with open(file_path, 'r') as file: + record = SeqIO.read(file, "genbank") + return record + +#%% +# ID dla sekwencji w NCBI +gen_id= "4e46" +plasmid_id = "pET-28a(+)" + +# Åšcieżki do lokalnych plików +gen_file_path = '../data/fasta/'+gen_id+'.fasta' +plasmid_file_path = '../data/gb/'+plasmid_id+'.gb' + +#%% +# Sprawdzanie i pobieranie sekwencji genu +if not os.path.exists(gen_file_path): + print(f"Plik {gen_file_path} nie istnieje. Pobieranie z serwera NCBI...") + gen_record = fetch_and_save_sequence("nuccore", gen_id, gen_file_path) + print(f"Pobrano i zapisano sekwencjÄ™ genu do pliku {gen_file_path}.") +else: + print(f"Plik {gen_file_path} istnieje. Wczytywanie danych z lokalnego pliku...") + gen_record = load_local_sequence(gen_file_path) + print(f"Wczytano dane z pliku {gen_file_path}.") + +gen_seq = str(gen_record.seq) +print(f"Gen Sequence: {gen_seq[:60]}...") + +#%% +# Sprawdzanie i pobieranie sekwencji plazmidu +if not os.path.exists(plasmid_file_path): + print(f"Plik {plasmid_file_path} nie istnieje. Pobieranie z serwera NCBI...") + record = fetch_and_save_sequence("nuccore", plasmid_id, plasmid_file_path) + print(f"Pobrano i zapisano sekwencjÄ™ plazmidu do pliku {plasmid_file_path}.") +else: + print(f"Plik {plasmid_file_path} istnieje. Wczytywanie danych z lokalnego pliku...") + record = load_local_sequence(plasmid_file_path) + print(f"Wczytano dane z pliku {plasmid_file_path}.") + +#%% + +# Funkcja do wczytania sekwencji z pliku FASTA +def load_fasta_sequence(file_path): + with open(file_path, "r") as fasta_file: + record = SeqIO.read(fasta_file, "fasta") + return record + +#%% + +# Wczytanie sekwencji z pliku FASTA +fasta_record = load_fasta_sequence(gen_file_path) +print(f"Wczytano sekwencjÄ™: {fasta_record.id}") + +#%% +# Krok 2: Wykonanie BLAST do identyfikacji RefSeq +def blast_and_find_refseq(sequence_record): + print("Wykonywanie BLAST...") + result_handle = NCBIWWW.qblast("blastp", "refseq_protein", sequence_record.seq) + + # Zapisz wynik BLAST w formacie XML + with open("blast_result.xml", "w") as out_handle: + out_handle.write(result_handle.read()) + + result_handle.close() + + # Parsowanie wyników BLAST + with open("blast_result.xml") as result_handle: + blast_record = NCBIXML.read(result_handle) + + # Pobranie najlepszego dopasowania RefSeq + best_hit = blast_record.alignments[0] + refseq_id = best_hit.accession + print(f"Znaleziono RefSeq ID: {refseq_id}") + return refseq_id + +# Krok 3: Pobranie pliku GenBank dla zidentyfikowanego RefSeq ID +def fetch_and_save_genbank(db, id, file_path): + print(f"Pobieranie sekwencji dla ID: {id} z bazy danych {db}") + with Entrez.efetch(db=db, id=id, rettype="gb", retmode="text") as handle: + record = SeqIO.read(handle, "genbank") + SeqIO.write(record, file_path, "genbank") + print(f"Sekwencja zostaÅ‚a zapisana w pliku {file_path}") + +# Wyszukiwanie RefSeq dla sekwencji z pliku FASTA +refseq_id = blast_and_find_refseq(fasta_record) + +# Åšcieżka do zapisu pliku GenBank +genbank_file_path = '../data/gb/' + refseq_id + '.gb' + +# Pobranie i zapisanie pliku GenBank na podstawie RefSeq ID +if refseq_id: + fetch_and_save_genbank("protein", refseq_id, genbank_file_path) +else: + print("Nie znaleziono odpowiedniego RefSeq ID.") + + +# WyÅ›wietlanie etykiet (annotacji) dla CDS +for feature in record.features: + if feature.type == "CDS": + print(f"Type: {feature.type}") + print(f"Location: {feature.location}") + + # Pobierz numer pozycji nukleotydów dla CDS + start = feature.location.start + end = feature.location.end + strand = '+' if feature.location.strand == 1 else '-' + print(f"Start: {start}, End: {end}, Strand: {strand}") + + # Pobierz nazwÄ™ genu, jeÅ›li jest dostÄ™pna + if 'gene' in feature.qualifiers: + print(f"Gene: {feature.qualifiers['gene'][0]}") + + # Pobierz nazwÄ™ produktu biaÅ‚kowego, jeÅ›li jest dostÄ™pna + if 'product' in feature.qualifiers: + print(f"Product: {feature.qualifiers['product'][0]}") + + # WyÅ›wietl translacjÄ™, jeÅ›li jest dostÄ™pna + if 'translation' in feature.qualifiers: + print(f"Translation: {feature.qualifiers['translation'][0]}") + + print("\n" + "-"*50 + "\n") + +#%% +# Importujemy bibliotekÄ™ BioPython +from Bio import SeqIO + +# Przechodzimy przez wszystkie funkcje w rekordzie i wypisujemy informacje +for feature in record.features: + if feature.type in ["CDS", "promoter", "terminator", "misc_feature", "RBS", "protein_bind"]: + print(f"Type: {feature.type}") + print(f"Location: {feature.location}") + print(f"Start: {feature.location.start}") + print(f"End: {feature.location.end}") + print(f"Strand: {'+' if feature.strand == 1 else '-'}") # Kierunek nici + if 'label' in feature.qualifiers: + print(f"Label: {feature.qualifiers['label'][0]}") + if 'gene' in feature.qualifiers: + print(f"Gene: {feature.qualifiers['gene'][0]}") + if 'product' in feature.qualifiers: + print(f"Product: {feature.qualifiers['product'][0]}") + if 'note' in feature.qualifiers: + print(f"Note: {feature.qualifiers['note'][0]}") + print() # Dla czytelnoÅ›ci + + +#%% +# WyÅ›wietl etykiety (annotacje) +for feature in record.features: + print(f"Type: {feature.type}") + print(f"Location: {feature.location}") + if 'gene' in feature.qualifiers: + print(f"Gene: {feature.qualifiers['gene']}") + if 'product' in feature.qualifiers: + print(f"Product: {feature.qualifiers['product']}") + print() + + + + +#%% +# Przejdź przez wszystkie funkcje w rekordzie i wypisz ich szczegółowe informacje +for feature in record.features: + if feature.type in ["promoter", "RBS","CDS", "protein_bind", "misc_feature", "rep_origin", "terminator"]: + print(f"Type: {feature.type}") + print(f"Location: {feature.location}") + print(f"Strand: {'+' if feature.strand == 1 else '-'}") + + # Szczegółowe opisy + if feature.type == "CDS": + gene_name = feature.qualifiers.get('gene', ['Unknown gene'])[0] + product = feature.qualifiers.get('product', ['Unknown product'])[0] + print(f"Gene Name: {gene_name}") + print(f"Product: {product}") + elif feature.type == "protein_bind": + binding_site = feature.qualifiers.get('bound_moiety', ['Unknown binding site'])[0] + print(f"Binding Site: {binding_site}") + elif feature.type == "misc_feature": + note = feature.qualifiers.get('note', ['No additional information'])[0] + print(f"Note: {note}") + elif feature.type == "rep_origin": + print("This is a replication origin.") + + # Pobierz sekwencjÄ™ funkcji + feature_seq = record.seq[feature.location.start:feature.location.end] + + + print(f"Sequence ( ): {feature_seq}\n") + # UwzglÄ™dnij orientacjÄ™ nici (strand) + if feature.strand == -1: + feature_seq = feature_seq.reverse_complement() + print(f"Sequence (^): {feature_seq}\n") + + + +# Znajdź i wyÅ›wietl sekwencjÄ™ terminatora T7 +for feature in record.features: + if feature.type == "terminator" and "T7" in feature.qualifiers.get('note', [''])[0]: + print("Terminator T7 znaleziony:") + print(f"Type: {feature.type}") + print(f"Location: {feature.location}") + print(f"Sequence: {record.seq[feature.location.start:feature.location.end]}") + print() + + + + +#%% +# Znajdź i wyÅ›wietl sekwencjÄ™ terminatora T7 +for feature in record.features: + if feature.type == "terminator" and "T7" in feature.qualifiers.get('note', [''])[0]: + print("Terminator T7 znaleziony:") + print(f"Type: {feature.type}") + print(f"Location: {feature.location}") + + # Pobierz sekwencjÄ™ terminatora + terminator_seq = record.seq[feature.location.start:feature.location.end] + + # Sprawdź orientacjÄ™ i odwróć/uzupeÅ‚nij jeÅ›li potrzebne + if feature.strand == -1: + terminator_seq = terminator_seq.reverse_complement() + + print(f"(+) Sequence: {terminator_seq}") + print() + +#%% + + +#%% +t=record[25:73].seq + + +#%% +a = str (t) +a + +#%% +class Model: + + complement = {'A': 'T', 'T': 'A', 'C': 'G', 'G': 'C'} + + def __init__ (self, seq=None): + self.seq = seq + + def complement_dna(self): + + complementary_sequence = ''.join(complement[base] for base in self.seq) + return complementary_sequence + +#%% +r = Model(a) + +#%% +r.seq + +#%% +r.seq[::-1] + +#%% +r.complement_dna() + +#%% +r.seq +#%% +complement = {'A': 'T', 'T': 'A', 'C': 'G', 'G': 'C'} +complementary_sequence = ''.join(complement[base] for base in r.seq) +complementary_sequence + +#%% + + +#%% +# Sekwencja DNA +dna_seq = record.seq + +# Znajdź miejsca ciÄ™cia dla NcoI i Bpu1102I +ncoI_sites = NcoI.search(dna_seq) +bpu1102I_sites = Bpu1102I.search(dna_seq) + +# Przyjmij pierwsze miejsca ciÄ™cia +ncoI_site = ncoI_sites[0] +bpu1102I_site = bpu1102I_sites[0] + +# WyodrÄ™bnij fragmenty 20 zasad od miejsc ciÄ™cia +ncoI_fragment = dna_seq[ncoI_site-16:ncoI_site+4] # 16 zasad przed i 4 po ciÄ™ciu +bpu1102I_fragment = dna_seq[bpu1102I_site:bpu1102I_site+20] # 20 zasad po ciÄ™ciu + +# Lepkie koÅ„ce +ncoI_sticky_end = ncoI_fragment[-4:] +ncoI_sticky_end_comp = ncoI_sticky_end.complement() + +bpu1102I_sticky_end = bpu1102I_fragment[:4] +bpu1102I_sticky_end_comp = bpu1102I_sticky_end.complement() + +# Funkcja do wyÅ›wietlania dwuniciowego DNA z lepkimi koÅ„cami w formacie schodkowym z indeksami dla dÅ‚uższej nici +def print_sticky_ends(seq1, sticky_end1, seq2, sticky_end2, start1, start2): + # Convert sequences to strings + seq1_str = str(seq1) + sticky_end1_str = str(sticky_end1) + comp_seq1_str = str(seq1.complement()) + sticky_end1_comp_str = str(sticky_end1.complement()) + + seq2_str = str(seq2) + sticky_end2_str = str(sticky_end2) + comp_seq2_str = str(seq2.complement()) + sticky_end2_comp_str = str(sticky_end2.complement()) + + # Add indexes to the ends + seq1_with_index = f"{seq1_str[:-1]} -{start1+len(seq1_str)-1}" + comp_seq1_with_index = f"{comp_seq1_str[:-1]}" + + seq2_with_index = f"{start2}- {seq2_str[1:]}" + comp_seq2_with_index = f"{comp_seq2_str[1:]}" + + # Lustrzane odbicie sekwencji + comp_seq2_with_index = comp_seq2_with_index[::-1] + sticky_end2_comp_str = sticky_end2_comp_str[::-1] + + # Format the output as requested + print(f"5'-{seq1_with_index} {sticky_end1_str}-3' (+)") + print(f"3'-{comp_seq1_with_index}{sticky_end1_comp_str}-5'") + print() + print(f"5'-{sticky_end2_str} {seq2_with_index}-3' (+)") + print(f" {sticky_end2_comp_str}{comp_seq2_with_index}-5'") + +# WyÅ›wietl lepkie koÅ„ce fragmentów +print("Fragmenty po ciÄ™ciu NcoI i Bpu1102I:") +print_sticky_ends(ncoI_fragment[:-4], ncoI_sticky_end, bpu1102I_fragment[4:], bpu1102I_sticky_end, ncoI_site-16, bpu1102I_site) + +#%% +# Projektowanie starterów +forward_primer = gfp_seq[:20] # Pierwsze 20 nukleotydów sekwencji GFP +reverse_primer = str(Seq(gfp_seq_with_his6[-20:]).reverse_complement()) # Ostatnie 20 nukleotydów + His6 + +print(f"Forward Primer: {forward_primer}") +print(f"Reverse Primer: {reverse_primer}") + +#%% +# Miejsca ciÄ™cia restryktazy +enzymes = RestrictionBatch([EcoRI, BamHI, HindIII]) +#enzymes = RestrictionBatch([BamHI, ]) +restriction_sites = enzymes.search(record.seq) + +#%% +# Przeprowadzenie analizy restrykcyjnej +analysis = Analysis(AllEnzymes, record.seq) + +# Wynik analizy +results = analysis.full() + +# WyÅ›wietlanie wyników +#for enzyme in results: +# if len(results[enzyme]) > 0: +# print(f"{enzyme}: {results[enzyme]}") + +#%% +# Utwórz diagram plazmidu +diagram = GenomeDiagram.Diagram("PUC19 Plasmid Map") +track = diagram.new_track(1, name="Annotated Features", greytrack=True) +feature_set = track.new_set() + +# Dodanie sekwencji kodujÄ…cej GFP +feature_set.add_feature( + SeqFeature(FeatureLocation(0, len(gfp_seq)), strand=+1), + name="GFP Coding Sequence", + label=True, + color=colors.lightblue +) + +# Dodanie His6 tagu +feature_set.add_feature( + SeqFeature(FeatureLocation(len(gfp_seq), len(gfp_seq_with_his6)), strand=+1), + name="His6 Tag", + label=True, + color=colors.lightgreen +) + +# Dodanie forward primer +feature_set.add_feature( + SeqFeature(FeatureLocation(0, len(forward_primer)), strand=+1), + name="Forward Primer", + label=True, + color=colors.orange +) + +# Dodanie reverse primer +feature_set.add_feature( + SeqFeature(FeatureLocation(len(gfp_seq_with_his6) - len(reverse_primer), len(gfp_seq_with_his6)), strand=-1), + name="Reverse Primer", + label=True, + color=colors.red +) + +# Dodanie miejsc ciÄ™cia restryktazy +for enzyme, sites in restriction_sites.items(): + for site in sites: + feature_set.add_feature( + SeqFeature(FeatureLocation(site, site + 1), strand=0), + name=enzyme, + label=True, + color=colors.purple + ) + +# Rysowanie diagramu +diagram.draw(format="circular", circular=True, pagesize='A4', start=0, end=len(record), circle_core=0.5) +diagram.write("pdf/plasmid_map.pdf", "PDF") + +print("Zapisano diagram plazmidu do pliku 'plasmid_map.pdf'")