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Opened 5 months ago
Closed 5 months ago
#17694 closed defect (can't reproduce)
Non-structure sequence still in match_maps
| Reported by: | Owned by: | Eric Pettersen | |
|---|---|---|---|
| Priority: | normal | Milestone: | |
| Component: | Sequence | Version: | |
| Keywords: | Cc: | ||
| Blocked By: | Blocking: | ||
| Notify when closed: | Platform: | all | |
| Project: | ChimeraX |
Description
The following bug report has been submitted:
Platform: macOS-15.3.1-arm64-arm-64bit
ChimeraX Version: 1.9 (2024-12-11 19:11:19 UTC)
Description
Replace this text with list of actions that caused this problem to occur
Log:
Startup Messages
---
note | available bundle cache has not been initialized yet
UCSF ChimeraX version: 1.9 (2024-12-11)
© 2016-2024 Regents of the University of California. All rights reserved.
How to cite UCSF ChimeraX
> open
> /Users/claremorris/GradSchool/Research/Apobec/BORF/RNR_modelling/A3B_fl_from_borf.pdb
Chain information for A3B_fl_from_borf.pdb #1
---
Chain | Description
B | No description available
Computing secondary structure
> ui tool show "Model Loops"
Populating font family aliases took 61 ms. Replace uses of missing font family
"Times" with one that exists to avoid this cost.
> open
> /Users/claremorris/GradSchool/Research/Apobec/BORF/RNR_modelling/FL_a3b_alignment_fromBORF.fasta
No sequences found in FASTA file 'FL_a3b_alignment_fromBORF.fasta'!
> open
> /Users/claremorris/GradSchool/Research/Apobec/BORF/RNR_modelling/FL_a3b_alignment_fromBORF.clustal_num.fasta
No sequences found in FASTA file
'FL_a3b_alignment_fromBORF.clustal_num.fasta'!
> open
> /Users/claremorris/GradSchool/Research/Apobec/BORF/RNR_modelling/clustalo-R20250418-234642-0060-1321012-p1m.clustal_num
Unrecognized file suffix '.clustal_num'
> open
> /Users/claremorris/GradSchool/Research/Apobec/BORF/RNR_modelling/FL_fromBORF.fasta
Summary of feedback from opening
/Users/claremorris/GradSchool/Research/Apobec/BORF/RNR_modelling/FL_fromBORF.fasta
---
notes | Alignment identifier is FL_fromBORF.fasta
Associated A3B_fl_from_borf.pdb chain B to chain B with 0 mismatches
Opened 1 sequence from FL_fromBORF.fasta
> open
> /Users/claremorris/GradSchool/Research/Apobec/BORF/RNR_modelling/A3b_fl_uniprot.fasta
Summary of feedback from opening
/Users/claremorris/GradSchool/Research/Apobec/BORF/RNR_modelling/A3b_fl_uniprot.fasta
---
notes | Alignment identifier is A3b_fl_uniprot.fasta
Associated A3B_fl_from_borf.pdb chain B to sp|Q9UH17|ABC3B_HUMAN DNA dC->dU-
editing enzyme APOBEC-3B OS=Homo sapiens OX=9606 GN=APOBEC3B PE=1 SV=1 with 0
mismatches
Opened 1 sequence from A3b_fl_uniprot.fasta
> ui tool show "Model Loops"
> modeller refine A3b_fl_uniprot.fasta:1:all-missing numModels 5 fast false
> adjacentFlexible 1 protocol standard
Webservices job id: DXFS9NEIZAT5L1ON
Modeller job (ID DXFS9NEIZAT5L1ON) finished
Computing secondary structure
Parameters
---
Chain pairing | ss
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker A3B_fl_from_borf.pdb, chain B (#1) with
sp_Q9UH17_ABC3B_HUMAN_DNA_dC->dU-
editing_enzyme_APOBEC-3B_OS=Homo_sapiens_OX=9606_GN=APOBEC3B_PE=1_SV=1, chain
B (#), sequence alignment score = 1820
RMSD between 344 pruned atom pairs is 0.169 angstroms; (across all 344 pairs:
0.169)
Computing secondary structure
Parameters
---
Chain pairing | ss
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker A3B_fl_from_borf.pdb, chain B (#1) with
sp_Q9UH17_ABC3B_HUMAN_DNA_dC->dU-
editing_enzyme_APOBEC-3B_OS=Homo_sapiens_OX=9606_GN=APOBEC3B_PE=1_SV=1, chain
B (#), sequence alignment score = 1823
RMSD between 343 pruned atom pairs is 0.098 angstroms; (across all 344 pairs:
0.148)
Computing secondary structure
Parameters
---
Chain pairing | ss
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker A3B_fl_from_borf.pdb, chain B (#1) with
sp_Q9UH17_ABC3B_HUMAN_DNA_dC->dU-
editing_enzyme_APOBEC-3B_OS=Homo_sapiens_OX=9606_GN=APOBEC3B_PE=1_SV=1, chain
B (#), sequence alignment score = 1825.4
RMSD between 343 pruned atom pairs is 0.180 angstroms; (across all 344 pairs:
0.212)
Computing secondary structure
Parameters
---
Chain pairing | ss
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker A3B_fl_from_borf.pdb, chain B (#1) with
sp_Q9UH17_ABC3B_HUMAN_DNA_dC->dU-
editing_enzyme_APOBEC-3B_OS=Homo_sapiens_OX=9606_GN=APOBEC3B_PE=1_SV=1, chain
B (#), sequence alignment score = 1823
RMSD between 344 pruned atom pairs is 0.157 angstroms; (across all 344 pairs:
0.157)
Computing secondary structure
Parameters
---
Chain pairing | ss
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker A3B_fl_from_borf.pdb, chain B (#1) with
sp_Q9UH17_ABC3B_HUMAN_DNA_dC->dU-
editing_enzyme_APOBEC-3B_OS=Homo_sapiens_OX=9606_GN=APOBEC3B_PE=1_SV=1, chain
B (#), sequence alignment score = 1826
RMSD between 344 pruned atom pairs is 0.100 angstroms; (across all 344 pairs:
0.100)
Associated sp_Q9UH17_ABC3B_HUMAN_DNA_dC->dU-
editing_enzyme_APOBEC-3B_OS=Homo_sapiens_OX=9606_GN=APOBEC3B_PE=1_SV=1 chain B
to sp|Q9UH17|ABC3B_HUMAN DNA dC->dU-editing enzyme APOBEC-3B OS=Homo sapiens
OX=9606 GN=APOBEC3B PE=1 SV=1 with 0 mismatches
[Repeated 4 time(s)] Chain information for sp_Q9UH17_ABC3B_HUMAN_DNA_dC->dU-
editing_enzyme_APOBEC-3B_OS=Homo_sapiens_OX=9606_GN=APOBEC3B_PE=1_SV=1
---
Chain | Description
2.1/B 2.2/B 2.3/B 2.4/B 2.5/B | No description available
> rename #2 A3B_fl_models
> show /A:210-212
> show #2.3#!1 atoms
[Repeated 1 time(s)]
> hide #2.3#!1 atoms
> show /A:210
> show 210
Expected a collection of one of 'atoms', 'bonds', 'cartoons', 'models',
'pbonds', 'pseudobonds', 'ribbons', or 'surfaces' or a keyword
> show :210
> show :210-212
> hide #!1 models
> hide #!2 models
> show #!2 models
> set bgColor white
> lighting simple
> lighting soft
> lighting full
> lighting flat
> lighting shadows true intensity 0.5
> graphics silhouettes false
> lighting full
> lighting soft
> ui mousemode right "mark maximum"
[Repeated 1 time(s)]
> ui mousemode right "mark plane"
[Repeated 1 time(s)]
> style #2.3 stick
Changed 3242 atom styles
> style #2.3 sphere
Changed 3242 atom styles
> style #2.3 stick
Changed 3242 atom styles
> ui tool show "Basic Actions"
> color #2.3/B #495bff target c
[Repeated 1 time(s)]
> show #2.3 cartoons
> hide #2.3 cartoons
> show #2.3 cartoons
> lighting flat
> show :223 225
Expected a collection of one of 'atoms', 'bonds', 'cartoons', 'models',
'pbonds', 'pseudobonds', 'ribbons', or 'surfaces' or a keyword
> show :223,225
> show :253,255
> show :CYS
> hide :CYS
> show :284,289
> hide :225,223
> save
> /Users/claremorris/GradSchool/Research/Apobec/BORF/RNR_modelling/FL-a3b-loop-
> modeller-model2.3.pdb
> open
> /Users/claremorris/GradSchool/Research/Apobec/BORF/RNR_modelling/A3B_fl_from_borf.pdb
Chain information for A3B_fl_from_borf.pdb #3
---
Chain | Description
B | No description available
Computing secondary structure
> hide #!3 models
> open
> /Users/claremorris/GradSchool/Research/Apobec/BORF/RNR_modelling/Borf2-A3B_J197aligned-
> coot-20.pdb
Chain information for Borf2-A3B_J197aligned-coot-20.pdb #4
---
Chain | Description
A | No description available
B | No description available
> open
> /Users/claremorris/GradSchool/Research/Apobec/BORF/RNR_modelling/FL-a3b-loop-
> modeller-model2.3.pdb
Chain information for FL-a3b-loop-modeller-model2.3.pdb
---
Chain | Description
5.1/B | No description available
5.2/B 5.3/B 5.4/B 5.5/B 5.6/B | No description available
> hide #!4 models
> hide #!5 models
> hide #!5.1 models
> hide #5.2 models
> hide #5.3 models
> hide #5.4 models
> hide #5.5 models
> hide #5.6 models
> hide #!2 models
> show #!2 models
> select add #2.3
3242 atoms, 3348 bonds, 382 residues, 1 model selected
> hide #2.3 models
> hide #!2 models
> show #2.3 models
> save
> /Users/claremorris/GradSchool/Research/Apobec/BORF/RNR_modelling/FL-a3b-loop-
> modeller-model2.3.pdb
> open
> /Users/claremorris/GradSchool/Research/Apobec/BORF/RNR_modelling/Borf2-A3B_J197aligned-
> coot-20.pdb
Chain information for Borf2-A3B_J197aligned-coot-20.pdb #6
---
Chain | Description
A | No description available
B | No description available
> open
> /Users/claremorris/GradSchool/Research/Apobec/BORF/RNR_modelling/Borf2-A3B_J197aligned-
> coot-20_dimer.pdb
Chain information for Borf2-A3B_J197aligned-coot-20_dimer.pdb #7
---
Chain | Description
A C | No description available
B D | No description available
> hide #!6 models
> hide #!7 models
> show #!6 models
> hide #!6 models
> show #!7 models
> hide #2.3 models
> hide #!2 models
> show #!6 models
> hide #!7 models
> show #5.4 models
> hide #!6 models
> show #!7 models
> hide #!7 models
> show #!6 models
> color #6 #ff9484ff
> color #6 #4fb6f4ff
> color #6 #7b9ff4ff
> color #6 #547ef4ff
> color #5.4 #79c4efff
> select add #6
11937 atoms, 12188 bonds, 11 pseudobonds, 1527 residues, 4 models selected
> select subtract #6
3242 atoms, 3348 bonds, 382 residues, 1 model selected
> color #6 #ad3befff
> color #6 #587eefff
> color #6/A #ad3befff
> color #5 #a0a0a0ff models
> color #5 #4061a0ff models
> color #5 #4183a0ff models
> color #5 #60c1ecff models
> color #6/B :401 #a0a0a0ff
> lighting simple
[Repeated 1 time(s)]
> lighting soft
> lighting full
> lighting simple
[Repeated 1 time(s)]
> undo
> lighting simple
> lighting soft
> color #6/B :401 #a0a0a0ff
> color sel byelement
> select clear
> select #6/B:253@CG
1 atom, 1 residue, 1 model selected
> hide #!5 models
> show #!5 models
> hide #5.4 models
> show #5.4 models
> ui mousemode right select
> show #!7 models
> hide #!7 models
Drag select of 3 residues
> hide #6/B
> show #6/B
> undo
[Repeated 1 time(s)]
> hide #!6 models
> show #!6 models
> style sel stick
Changed 21 atom styles
> show sel atoms
[Repeated 1 time(s)]
> hide sel atoms
> hide #6/B ar
Expected a collection of one of 'atoms', 'bonds', 'cartoons', 'models',
'pbonds', 'pseudobonds', 'ribbons', or 'surfaces' or a keyword
> hide #6/B target ar
> color #5 #5681ecff models
> show 5.4/ :212
Expected a collection of one of 'atoms', 'bonds', 'cartoons', 'models',
'pbonds', 'pseudobonds', 'ribbons', or 'surfaces' or a keyword
> show #5.4/ :212
Expected a collection of one of 'atoms', 'bonds', 'cartoons', 'models',
'pbonds', 'pseudobonds', 'ribbons', or 'surfaces' or a keyword
> show #5.4 :212
> style sel stick
Changed 21 atom styles
> show #5.4 :212
> select #5.4/B:212@CZ
1 atom, 1 residue, 1 model selected
> style sel stick
Changed 1 atom style
> color sel byelement
> select #5.4/B:212@CG
1 atom, 1 residue, 1 model selected
> select #5.4/B:212@CD
1 atom, 1 residue, 1 model selected
> select ::name="ARG"
7667 atoms, 7021 bonds, 697 residues, 16 models selected
> select #6/A:71
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #5.4/B:212
11 atoms, 10 bonds, 1 residue, 1 model selected
> color sel byelement
> select #5.4/B:211
11 atoms, 10 bonds, 1 residue, 1 model selected
> style sel stick
Changed 11 atom styles
> style sel stick
Changed 11 atom styles
> show sel atoms
> style sel stick
Changed 11 atom styles
> color bfactor sel
11 atoms, 1 residues, atom bfactor range 0 to 0
> color sel byhetero
> color sel byelement
> select #5.4/B:212
11 atoms, 10 bonds, 1 residue, 1 model selected
> select clear
> select #5.4/B:211
11 atoms, 10 bonds, 1 residue, 1 model selected
> undo
[Repeated 2 time(s)]
> select #5.4/B:211
11 atoms, 10 bonds, 1 residue, 1 model selected
> nucleotides sel atoms
> style nucleic & sel stick
Changed 0 atom styles
> nucleotides sel atoms
> style nucleic & sel stick
Changed 0 atom styles
> nucleotides sel atoms
> style nucleic & sel stick
Changed 0 atom styles
> color sel red
> color sel byelement
> color sel #ffffffff
> color sel #5884f1ff
> color sel byelement
> select #5.4/B:213
9 atoms, 8 bonds, 1 residue, 1 model selected
> select #5.4/B:212
11 atoms, 10 bonds, 1 residue, 1 model selected
> select #5.4/B:211
11 atoms, 10 bonds, 1 residue, 1 model selected
> select #5.4/B:210
11 atoms, 10 bonds, 1 residue, 1 model selected
> show sel atoms
> color sel byelement
Drag select of 1 residues
> select #5.4/B:315
12 atoms, 12 bonds, 1 residue, 1 model selected
> show sel atoms
> color sel byelement
> select #6/A:481
12 atoms, 12 bonds, 1 residue, 1 model selected
> show sel atoms
> select #6/A:181
8 atoms, 7 bonds, 1 residue, 1 model selected
> show sel atoms
> select #6/A:62
8 atoms, 7 bonds, 1 residue, 1 model selected
> show sel atoms
> select #6/A:64
9 atoms, 8 bonds, 1 residue, 1 model selected
> show sel atoms
> select #6/A:180
9 atoms, 8 bonds, 1 residue, 1 model selected
> show sel atoms
> select #6/A:133
8 atoms, 7 bonds, 1 residue, 1 model selected
> show sel atoms
> select clear
> select #6/A:484
11 atoms, 10 bonds, 1 residue, 1 model selected
> show sel atoms
> select #6/A:481
12 atoms, 12 bonds, 1 residue, 1 model selected
> select #6/A:209
4 atoms, 3 bonds, 1 residue, 1 model selected
> coulombic sel
Using Amber 20 recommended default charges and atom types for standard
residues
Coulombic values for Borf2-A3B_J197aligned-coot-20.pdb_A SES surface #6.3:
minimum, -16.31, mean -1.60, maximum 13.84
To also show corresponding color key, enter the above coulombic command and
add key true
> undo
[Repeated 1 time(s)]
> select #6/A:63
9 atoms, 8 bonds, 1 residue, 1 model selected
> select #6/A:64
9 atoms, 8 bonds, 1 residue, 1 model selected
> ui tool show "Color Actions"
> color sel byelement
> select #6/A:62
8 atoms, 7 bonds, 1 residue, 1 model selected
> color sel byelement
> select #6/A:181
8 atoms, 7 bonds, 1 residue, 1 model selected
> color sel byelement
> select clear
> select #6/A:180@CA
1 atom, 1 residue, 1 model selected
> color sel byelement
> select #6/A:179
7 atoms, 6 bonds, 1 residue, 1 model selected
> select #6/A:180@CG
1 atom, 1 residue, 1 model selected
> select #6/A:180@CA
1 atom, 1 residue, 1 model selected
> color sel byelement
> color sel gray
> select #6/A:180@CD
1 atom, 1 residue, 1 model selected
> select clear
> select #6/A:178
4 atoms, 3 bonds, 1 residue, 1 model selected
> select #6/A:179
7 atoms, 6 bonds, 1 residue, 1 model selected
> select #6/A:180
9 atoms, 8 bonds, 1 residue, 1 model selected
> color sel byelement
> select #6/A:133
8 atoms, 7 bonds, 1 residue, 1 model selected
> color sel byelement
Drag select of 4 atoms, 1 residues, 3 bonds
> select #6/A:484@CB
1 atom, 1 residue, 1 model selected
> select #6/A:484
11 atoms, 10 bonds, 1 residue, 1 model selected
> color sel byelement
> select #6/A:481
12 atoms, 12 bonds, 1 residue, 1 model selected
> color sel byelement
> select #5.4/B:372
11 atoms, 10 bonds, 1 residue, 1 model selected
> show sel atoms
> color sel byelement
> select #5.4/B:365
10 atoms, 10 bonds, 1 residue, 1 model selected
> show sel atoms
> color sel byelement
> hide #!6 models
> open
> /Users/claremorris/GradSchool/Research/Apobec/BORF/RNR_modelling/KSHV_Orf61_alignment.fasta
Failed opening file
/Users/claremorris/GradSchool/Research/Apobec/BORF/RNR_modelling/KSHV_Orf61_alignment.fasta:
No sequences found in FASTA file 'KSHV_Orf61_alignment.fasta'!
> open
> /Users/claremorris/GradSchool/Research/Apobec/BORF/RNR_modelling/KSHV_Orf61.fasta
Summary of feedback from opening
/Users/claremorris/GradSchool/Research/Apobec/BORF/RNR_modelling/KSHV_Orf61.fasta
---
note | Alignment identifier is KSHV_Orf61.fasta
Opened 1 sequence from KSHV_Orf61.fasta
Drag select of 3 atoms, 16 residues, 3 bonds
> open
> /Users/claremorris/GradSchool/Research/Apobec/BORF/peptides/a3b_fl_apo/A3Bfl_clust0_fromKevin.pdb
Chain information for A3Bfl_clust0_fromKevin.pdb #8
---
Chain | Description
? | No description available
Computing secondary structure
> matchmaker #8 to #5.4
Computing secondary structure
[Repeated 1 time(s)] Parameters
---
Chain pairing | bb
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker FL-a3b-loop-modeller-model2.3.pdb, chain B (#5.4) with
A3Bfl_clust0_fromKevin.pdb, chain (blank) (#8), sequence alignment score =
1883.1
RMSD between 92 pruned atom pairs is 1.200 angstroms; (across all 382 pairs:
23.289)
> select #8/?:318
19 atoms, 18 bonds, 1 residue, 1 model selected
> select clear
> select #8/?:287
24 atoms, 25 bonds, 1 residue, 1 model selected
> hide sel atoms
> select clear
> show #8/ :210-212
Expected a collection of one of 'atoms', 'bonds', 'cartoons', 'models',
'pbonds', 'pseudobonds', 'ribbons', or 'surfaces' or a keyword
> show #8 :210-212
> show #5.4 :210-212
> hide #!8 models
> show #!4 models
> open
> /Users/claremorris/GradSchool/Research/Apobec/BORF/RNR_modelling/BORF2.fasta
Summary of feedback from opening
/Users/claremorris/GradSchool/Research/Apobec/BORF/RNR_modelling/BORF2.fasta
---
notes | Alignment identifier is BORF2.fasta
Associated Borf2-A3B_J197aligned-coot-20.pdb chain A to sp|P03190|RIR1_EBVB9
Ribonucleoside-diphosphate reductase large subunit OS=Epstein-Barr virus
(strain B95-8) OX=10377 GN=RIR1 PE=1 SV=1 with 0 mismatches
Associated Borf2-A3B_J197aligned-coot-20.pdb chain A to sp|P03190|RIR1_EBVB9
Ribonucleoside-diphosphate reductase large subunit OS=Epstein-Barr virus
(strain B95-8) OX=10377 GN=RIR1 PE=1 SV=1 with 0 mismatches
Associated Borf2-A3B_J197aligned-coot-20_dimer.pdb chain A to
sp|P03190|RIR1_EBVB9 Ribonucleoside-diphosphate reductase large subunit
OS=Epstein-Barr virus (strain B95-8) OX=10377 GN=RIR1 PE=1 SV=1 with 0
mismatches
Associated Borf2-A3B_J197aligned-coot-20_dimer.pdb chain C to
sp|P03190|RIR1_EBVB9 Ribonucleoside-diphosphate reductase large subunit
OS=Epstein-Barr virus (strain B95-8) OX=10377 GN=RIR1 PE=1 SV=1 with 0
mismatches
Opened 1 sequence from BORF2.fasta
> open
> /Users/claremorris/GradSchool/Research/Apobec/BORF/RNR_modelling/borf2_7rw6_monomer_chainA.pdb
Chain information for borf2_7rw6_monomer_chainA.pdb #9
---
Chain | Description
A | No description available
Computing secondary structure
> matchmaker #9 to #4
Computing secondary structure
[Repeated 1 time(s)] Parameters
---
Chain pairing | bb
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker Borf2-A3B_J197aligned-coot-20.pdb, chain A (#4) with
borf2_7rw6_monomer_chainA.pdb, chain A (#9), sequence alignment score = 3059.9
RMSD between 629 pruned atom pairs is 0.605 angstroms; (across all 642 pairs:
0.882)
> hide #!4 models
> hide #5.4 models
> hide #!5 models
> show #!4 models
> hide #!9 models
> ui tool show "Model Loops"
> open
> /Users/claremorris/GradSchool/Research/Apobec/BORF/RNR_modelling/BORF2.fasta
Summary of feedback from opening
/Users/claremorris/GradSchool/Research/Apobec/BORF/RNR_modelling/BORF2.fasta
---
notes | Alignment identifier is BORF2.fasta
Associated Borf2-A3B_J197aligned-coot-20.pdb chain A to sp|P03190|RIR1_EBVB9
Ribonucleoside-diphosphate reductase large subunit OS=Epstein-Barr virus
(strain B95-8) OX=10377 GN=RIR1 PE=1 SV=1 with 0 mismatches
Associated Borf2-A3B_J197aligned-coot-20.pdb chain A to sp|P03190|RIR1_EBVB9
Ribonucleoside-diphosphate reductase large subunit OS=Epstein-Barr virus
(strain B95-8) OX=10377 GN=RIR1 PE=1 SV=1 with 0 mismatches
Associated Borf2-A3B_J197aligned-coot-20_dimer.pdb chain A to
sp|P03190|RIR1_EBVB9 Ribonucleoside-diphosphate reductase large subunit
OS=Epstein-Barr virus (strain B95-8) OX=10377 GN=RIR1 PE=1 SV=1 with 0
mismatches
Associated Borf2-A3B_J197aligned-coot-20_dimer.pdb chain C to
sp|P03190|RIR1_EBVB9 Ribonucleoside-diphosphate reductase large subunit
OS=Epstein-Barr virus (strain B95-8) OX=10377 GN=RIR1 PE=1 SV=1 with 0
mismatches
Associated borf2_7rw6_monomer_chainA.pdb chain A to sp|P03190|RIR1_EBVB9
Ribonucleoside-diphosphate reductase large subunit OS=Epstein-Barr virus
(strain B95-8) OX=10377 GN=RIR1 PE=1 SV=1 with 0 mismatches
Opened 1 sequence from BORF2.fasta
> ui tool show "Model Loops"
> hide #!4 models
> show #!9 models
> ui tool show "Model Loops"
> modeller refine BORF2.fasta:1:all-missing numModels 5 fast false
> adjacentFlexible 1 protocol standard
Webservices job id: CABB7FQNLNCSGVNI
Webservices job id: Q6VO0C9T776AJSRF
Webservices job id: EB1ILZDTMK5ZJ8OD
Webservices job id: BZ300DO08OHLKWKX
Modeller job (ID EB1ILZDTMK5ZJ8OD) finished
Computing secondary structure
Parameters
---
Chain pairing | ss
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker Borf2-A3B_J197aligned-coot-20.pdb, chain A (#6) with
sp_P03190_RIR1_EBVB9_Ribonucleoside-
diphosphate_reductase_large_subunit_OS=Epstein-
Barr_virus_(strain_B95-8)_OX=10377_GN=RIR1_PE=1_SV=1, chain A (#), sequence
alignment score = 3699.7
RMSD between 709 pruned atom pairs is 0.048 angstroms; (across all 709 pairs:
0.048)
Computing secondary structure
Parameters
---
Chain pairing | ss
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker Borf2-A3B_J197aligned-coot-20.pdb, chain A (#6) with
sp_P03190_RIR1_EBVB9_Ribonucleoside-
diphosphate_reductase_large_subunit_OS=Epstein-
Barr_virus_(strain_B95-8)_OX=10377_GN=RIR1_PE=1_SV=1, chain A (#), sequence
alignment score = 3699.7
RMSD between 709 pruned atom pairs is 0.036 angstroms; (across all 709 pairs:
0.036)
Computing secondary structure
Parameters
---
Chain pairing | ss
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker Borf2-A3B_J197aligned-coot-20.pdb, chain A (#6) with
sp_P03190_RIR1_EBVB9_Ribonucleoside-
diphosphate_reductase_large_subunit_OS=Epstein-
Barr_virus_(strain_B95-8)_OX=10377_GN=RIR1_PE=1_SV=1, chain A (#), sequence
alignment score = 3708.7
RMSD between 708 pruned atom pairs is 0.068 angstroms; (across all 709 pairs:
0.114)
Computing secondary structure
Parameters
---
Chain pairing | ss
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker Borf2-A3B_J197aligned-coot-20.pdb, chain A (#6) with
sp_P03190_RIR1_EBVB9_Ribonucleoside-
diphosphate_reductase_large_subunit_OS=Epstein-
Barr_virus_(strain_B95-8)_OX=10377_GN=RIR1_PE=1_SV=1, chain A (#), sequence
alignment score = 3708.7
RMSD between 709 pruned atom pairs is 0.072 angstroms; (across all 709 pairs:
0.072)
Computing secondary structure
Parameters
---
Chain pairing | ss
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker Borf2-A3B_J197aligned-coot-20.pdb, chain A (#6) with
sp_P03190_RIR1_EBVB9_Ribonucleoside-
diphosphate_reductase_large_subunit_OS=Epstein-
Barr_virus_(strain_B95-8)_OX=10377_GN=RIR1_PE=1_SV=1, chain A (#), sequence
alignment score = 3705.7
RMSD between 709 pruned atom pairs is 0.033 angstroms; (across all 709 pairs:
0.033)
Associated sp_P03190_RIR1_EBVB9_Ribonucleoside-
diphosphate_reductase_large_subunit_OS=Epstein-
Barr_virus_(strain_B95-8)_OX=10377_GN=RIR1_PE=1_SV=1 chain A to
sp|P03190|RIR1_EBVB9 Ribonucleoside-diphosphate reductase large subunit
OS=Epstein-Barr virus (strain B95-8) OX=10377 GN=RIR1 PE=1 SV=1 with 0
mismatches
[Repeated 4 time(s)] Chain information for
sp_P03190_RIR1_EBVB9_Ribonucleoside-
diphosphate_reductase_large_subunit_OS=Epstein-
Barr_virus_(strain_B95-8)_OX=10377_GN=RIR1_PE=1_SV=1
---
Chain | Description
10.1/A 10.2/A 10.3/A 10.4/A 10.5/A | No description available
Modeller job (ID CABB7FQNLNCSGVNI) finished
Computing secondary structure
Parameters
---
Chain pairing | ss
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker Borf2-A3B_J197aligned-coot-20.pdb, chain A (#4) with
sp_P03190_RIR1_EBVB9_Ribonucleoside-
diphosphate_reductase_large_subunit_OS=Epstein-
Barr_virus_(strain_B95-8)_OX=10377_GN=RIR1_PE=1_SV=1, chain A (#), sequence
alignment score = 3699.7
RMSD between 709 pruned atom pairs is 0.048 angstroms; (across all 709 pairs:
0.048)
Computing secondary structure
Parameters
---
Chain pairing | ss
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker Borf2-A3B_J197aligned-coot-20.pdb, chain A (#4) with
sp_P03190_RIR1_EBVB9_Ribonucleoside-
diphosphate_reductase_large_subunit_OS=Epstein-
Barr_virus_(strain_B95-8)_OX=10377_GN=RIR1_PE=1_SV=1, chain A (#), sequence
alignment score = 3699.7
RMSD between 709 pruned atom pairs is 0.036 angstroms; (across all 709 pairs:
0.036)
Computing secondary structure
Parameters
---
Chain pairing | ss
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker Borf2-A3B_J197aligned-coot-20.pdb, chain A (#4) with
sp_P03190_RIR1_EBVB9_Ribonucleoside-
diphosphate_reductase_large_subunit_OS=Epstein-
Barr_virus_(strain_B95-8)_OX=10377_GN=RIR1_PE=1_SV=1, chain A (#), sequence
alignment score = 3708.7
RMSD between 708 pruned atom pairs is 0.068 angstroms; (across all 709 pairs:
0.114)
Computing secondary structure
Parameters
---
Chain pairing | ss
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker Borf2-A3B_J197aligned-coot-20.pdb, chain A (#4) with
sp_P03190_RIR1_EBVB9_Ribonucleoside-
diphosphate_reductase_large_subunit_OS=Epstein-
Barr_virus_(strain_B95-8)_OX=10377_GN=RIR1_PE=1_SV=1, chain A (#), sequence
alignment score = 3708.7
RMSD between 709 pruned atom pairs is 0.072 angstroms; (across all 709 pairs:
0.072)
Computing secondary structure
Parameters
---
Chain pairing | ss
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker Borf2-A3B_J197aligned-coot-20.pdb, chain A (#4) with
sp_P03190_RIR1_EBVB9_Ribonucleoside-
diphosphate_reductase_large_subunit_OS=Epstein-
Barr_virus_(strain_B95-8)_OX=10377_GN=RIR1_PE=1_SV=1, chain A (#), sequence
alignment score = 3705.7
RMSD between 709 pruned atom pairs is 0.033 angstroms; (across all 709 pairs:
0.033)
Associated sp_P03190_RIR1_EBVB9_Ribonucleoside-
diphosphate_reductase_large_subunit_OS=Epstein-
Barr_virus_(strain_B95-8)_OX=10377_GN=RIR1_PE=1_SV=1 chain A to
sp|P03190|RIR1_EBVB9 Ribonucleoside-diphosphate reductase large subunit
OS=Epstein-Barr virus (strain B95-8) OX=10377 GN=RIR1 PE=1 SV=1 with 0
mismatches
[Repeated 4 time(s)] Chain information for
sp_P03190_RIR1_EBVB9_Ribonucleoside-
diphosphate_reductase_large_subunit_OS=Epstein-
Barr_virus_(strain_B95-8)_OX=10377_GN=RIR1_PE=1_SV=1
---
Chain | Description
11.1/A 11.2/A 11.3/A 11.4/A 11.5/A | No description available
Modeller job (ID Q6VO0C9T776AJSRF) finished
Computing secondary structure
Parameters
---
Chain pairing | ss
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker borf2_7rw6_monomer_chainA.pdb, chain A (#9) with
sp_P03190_RIR1_EBVB9_Ribonucleoside-
diphosphate_reductase_large_subunit_OS=Epstein-
Barr_virus_(strain_B95-8)_OX=10377_GN=RIR1_PE=1_SV=1, chain A (#), sequence
alignment score = 3216.5
RMSD between 642 pruned atom pairs is 0.109 angstroms; (across all 642 pairs:
0.109)
Computing secondary structure
Parameters
---
Chain pairing | ss
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker borf2_7rw6_monomer_chainA.pdb, chain A (#9) with
sp_P03190_RIR1_EBVB9_Ribonucleoside-
diphosphate_reductase_large_subunit_OS=Epstein-
Barr_virus_(strain_B95-8)_OX=10377_GN=RIR1_PE=1_SV=1, chain A (#), sequence
alignment score = 3229.1
RMSD between 642 pruned atom pairs is 0.107 angstroms; (across all 642 pairs:
0.107)
Computing secondary structure
Parameters
---
Chain pairing | ss
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker borf2_7rw6_monomer_chainA.pdb, chain A (#9) with
sp_P03190_RIR1_EBVB9_Ribonucleoside-
diphosphate_reductase_large_subunit_OS=Epstein-
Barr_virus_(strain_B95-8)_OX=10377_GN=RIR1_PE=1_SV=1, chain A (#), sequence
alignment score = 3198.5
RMSD between 642 pruned atom pairs is 0.106 angstroms; (across all 642 pairs:
0.106)
Computing secondary structure
Parameters
---
Chain pairing | ss
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker borf2_7rw6_monomer_chainA.pdb, chain A (#9) with
sp_P03190_RIR1_EBVB9_Ribonucleoside-
diphosphate_reductase_large_subunit_OS=Epstein-
Barr_virus_(strain_B95-8)_OX=10377_GN=RIR1_PE=1_SV=1, chain A (#), sequence
alignment score = 3229.7
RMSD between 642 pruned atom pairs is 0.093 angstroms; (across all 642 pairs:
0.093)
Computing secondary structure
Parameters
---
Chain pairing | ss
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker borf2_7rw6_monomer_chainA.pdb, chain A (#9) with
sp_P03190_RIR1_EBVB9_Ribonucleoside-
diphosphate_reductase_large_subunit_OS=Epstein-
Barr_virus_(strain_B95-8)_OX=10377_GN=RIR1_PE=1_SV=1, chain A (#), sequence
alignment score = 3229.1
RMSD between 640 pruned atom pairs is 0.079 angstroms; (across all 642 pairs:
0.154)
Associated sp_P03190_RIR1_EBVB9_Ribonucleoside-
diphosphate_reductase_large_subunit_OS=Epstein-
Barr_virus_(strain_B95-8)_OX=10377_GN=RIR1_PE=1_SV=1 chain A to
sp|P03190|RIR1_EBVB9 Ribonucleoside-diphosphate reductase large subunit
OS=Epstein-Barr virus (strain B95-8) OX=10377 GN=RIR1 PE=1 SV=1 with 0
mismatches
[Repeated 4 time(s)] Chain information for
sp_P03190_RIR1_EBVB9_Ribonucleoside-
diphosphate_reductase_large_subunit_OS=Epstein-
Barr_virus_(strain_B95-8)_OX=10377_GN=RIR1_PE=1_SV=1
---
Chain | Description
12.1/A 12.2/A 12.3/A 12.4/A 12.5/A | No description available
> hide #!10 models
> hide #10.1 models
> hide #10.2 models
> hide #10.3 models
> hide #10.4 models
> hide #10.5 models
> hide #!11 models
> hide #11.1 models
> hide #11.2 models
> hide #12.5 models
> show #12.5 models
> hide #12.4 models
> show #12.4 models
> hide #12.4 models
> show #12.4 models
> hide #12.3 models
> hide #12.2 models
> hide #12.1 models
> hide #11.3 models
> hide #!12 models
> hide #11.5 models
> hide #11.4 models
> hide #12.5 models
> hide #12.4 models
> show #12.3 models
> hide #!9 models
> hide #12.3 models
> show #12.5 models
> show #12.4 models
> show #12.3 models
> show #12.2 models
> show #12.1 models
> hide #!12 models
> hide #12.1 models
> hide #12.2 models
> hide #12.3 models
> hide #12.4 models
> hide #12.5 models
> show #!11 models
> show #11.1 models
> show #11.2 models
> show #11.3 models
> show #10.1 models
> show #10.2 models
> show #10.3 models
> hide #!11 models
> hide #11.1 models
> hide #11.2 models
> hide #11.3 models
> show #10.4 models
> show #10.5 models
> hide #10.5 models
> hide #10.3 models
> hide #10.1 models
> hide #10.2 models
> hide #!10 models
> show #!10 models
> hide #!10 models
> hide #10.4 models
> show #!11 models
> show #11.4 models
> show #!9 models
> hide #!12 target m
> show #5.4 models
> hide #!9 models
> save
> /Users/claremorris/GradSchool/Research/Apobec/BORF/RNR_modelling/FL-a3b-loop-
> modeller-model5.4.pdb models #5.4
> save
> /Users/claremorris/GradSchool/Research/Apobec/BORF/RNR_modelling/starting_model-
> BORF2_monomer_loopmodeller_11.4.pdb models #11.4
Modeller job (ID BZ300DO08OHLKWKX) finished
Computing secondary structure
Parameters
---
Chain pairing | ss
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker Borf2-A3B_J197aligned-coot-20_dimer.pdb, chain A (#7) with
sp_P03190_RIR1_EBVB9_Ribonucleoside-
diphosphate_reductase_large_subunit_OS=Epstein-
Barr_virus_(strain_B95-8)_OX=10377_GN=RIR1_PE=1_SV=1, chain A (#), sequence
alignment score = 3705.7
Matchmaker Borf2-A3B_J197aligned-coot-20_dimer.pdb, chain C (#7) with
sp_P03190_RIR1_EBVB9_Ribonucleoside-
diphosphate_reductase_large_subunit_OS=Epstein-
Barr_virus_(strain_B95-8)_OX=10377_GN=RIR1_PE=1_SV=1, chain C (#), sequence
alignment score = 3701.5
RMSD between 1417 pruned atom pairs is 0.073 angstroms; (across all 1418
pairs: 0.099)
Computing secondary structure
Parameters
---
Chain pairing | ss
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker Borf2-A3B_J197aligned-coot-20_dimer.pdb, chain A (#7) with
sp_P03190_RIR1_EBVB9_Ribonucleoside-
diphosphate_reductase_large_subunit_OS=Epstein-
Barr_virus_(strain_B95-8)_OX=10377_GN=RIR1_PE=1_SV=1, chain A (#), sequence
alignment score = 3705.1
Matchmaker Borf2-A3B_J197aligned-coot-20_dimer.pdb, chain C (#7) with
sp_P03190_RIR1_EBVB9_Ribonucleoside-
diphosphate_reductase_large_subunit_OS=Epstein-
Barr_virus_(strain_B95-8)_OX=10377_GN=RIR1_PE=1_SV=1, chain C (#), sequence
alignment score = 3702.1
RMSD between 1417 pruned atom pairs is 0.058 angstroms; (across all 1418
pairs: 0.082)
Computing secondary structure
Parameters
---
Chain pairing | ss
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker Borf2-A3B_J197aligned-coot-20_dimer.pdb, chain A (#7) with
sp_P03190_RIR1_EBVB9_Ribonucleoside-
diphosphate_reductase_large_subunit_OS=Epstein-
Barr_virus_(strain_B95-8)_OX=10377_GN=RIR1_PE=1_SV=1, chain A (#), sequence
alignment score = 3705.7
Matchmaker Borf2-A3B_J197aligned-coot-20_dimer.pdb, chain C (#7) with
sp_P03190_RIR1_EBVB9_Ribonucleoside-
diphosphate_reductase_large_subunit_OS=Epstein-
Barr_virus_(strain_B95-8)_OX=10377_GN=RIR1_PE=1_SV=1, chain C (#), sequence
alignment score = 3699.1
RMSD between 1418 pruned atom pairs is 0.074 angstroms; (across all 1418
pairs: 0.074)
Computing secondary structure
Parameters
---
Chain pairing | ss
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker Borf2-A3B_J197aligned-coot-20_dimer.pdb, chain A (#7) with
sp_P03190_RIR1_EBVB9_Ribonucleoside-
diphosphate_reductase_large_subunit_OS=Epstein-
Barr_virus_(strain_B95-8)_OX=10377_GN=RIR1_PE=1_SV=1, chain A (#), sequence
alignment score = 3705.7
Matchmaker Borf2-A3B_J197aligned-coot-20_dimer.pdb, chain C (#7) with
sp_P03190_RIR1_EBVB9_Ribonucleoside-
diphosphate_reductase_large_subunit_OS=Epstein-
Barr_virus_(strain_B95-8)_OX=10377_GN=RIR1_PE=1_SV=1, chain C (#), sequence
alignment score = 3705.1
RMSD between 1417 pruned atom pairs is 0.071 angstroms; (across all 1418
pairs: 0.096)
Computing secondary structure
Parameters
---
Chain pairing | ss
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker Borf2-A3B_J197aligned-coot-20_dimer.pdb, chain A (#7) with
sp_P03190_RIR1_EBVB9_Ribonucleoside-
diphosphate_reductase_large_subunit_OS=Epstein-
Barr_virus_(strain_B95-8)_OX=10377_GN=RIR1_PE=1_SV=1, chain A (#), sequence
alignment score = 3683.5
Matchmaker Borf2-A3B_J197aligned-coot-20_dimer.pdb, chain C (#7) with
sp_P03190_RIR1_EBVB9_Ribonucleoside-
diphosphate_reductase_large_subunit_OS=Epstein-
Barr_virus_(strain_B95-8)_OX=10377_GN=RIR1_PE=1_SV=1, chain C (#), sequence
alignment score = 3702.7
RMSD between 1416 pruned atom pairs is 0.032 angstroms; (across all 1418
pairs: 0.144)
Associated sp_P03190_RIR1_EBVB9_Ribonucleoside-
diphosphate_reductase_large_subunit_OS=Epstein-
Barr_virus_(strain_B95-8)_OX=10377_GN=RIR1_PE=1_SV=1 chain A to
sp|P03190|RIR1_EBVB9 Ribonucleoside-diphosphate reductase large subunit
OS=Epstein-Barr virus (strain B95-8) OX=10377 GN=RIR1 PE=1 SV=1 with 0
mismatches
Associated sp_P03190_RIR1_EBVB9_Ribonucleoside-
diphosphate_reductase_large_subunit_OS=Epstein-
Barr_virus_(strain_B95-8)_OX=10377_GN=RIR1_PE=1_SV=1 chain C to
sp|P03190|RIR1_EBVB9 Ribonucleoside-diphosphate reductase large subunit
OS=Epstein-Barr virus (strain B95-8) OX=10377 GN=RIR1 PE=1 SV=1 with 0
mismatches
Associated sp_P03190_RIR1_EBVB9_Ribonucleoside-
diphosphate_reductase_large_subunit_OS=Epstein-
Barr_virus_(strain_B95-8)_OX=10377_GN=RIR1_PE=1_SV=1 chain A to
sp|P03190|RIR1_EBVB9 Ribonucleoside-diphosphate reductase large subunit
OS=Epstein-Barr virus (strain B95-8) OX=10377 GN=RIR1 PE=1 SV=1 with 0
mismatches
Associated sp_P03190_RIR1_EBVB9_Ribonucleoside-
diphosphate_reductase_large_subunit_OS=Epstein-
Barr_virus_(strain_B95-8)_OX=10377_GN=RIR1_PE=1_SV=1 chain C to
sp|P03190|RIR1_EBVB9 Ribonucleoside-diphosphate reductase large subunit
OS=Epstein-Barr virus (strain B95-8) OX=10377 GN=RIR1 PE=1 SV=1 with 0
mismatches
Associated sp_P03190_RIR1_EBVB9_Ribonucleoside-
diphosphate_reductase_large_subunit_OS=Epstein-
Barr_virus_(strain_B95-8)_OX=10377_GN=RIR1_PE=1_SV=1 chain A to
sp|P03190|RIR1_EBVB9 Ribonucleoside-diphosphate reductase large subunit
OS=Epstein-Barr virus (strain B95-8) OX=10377 GN=RIR1 PE=1 SV=1 with 0
mismatches
Associated sp_P03190_RIR1_EBVB9_Ribonucleoside-
diphosphate_reductase_large_subunit_OS=Epstein-
Barr_virus_(strain_B95-8)_OX=10377_GN=RIR1_PE=1_SV=1 chain C to
sp|P03190|RIR1_EBVB9 Ribonucleoside-diphosphate reductase large subunit
OS=Epstein-Barr virus (strain B95-8) OX=10377 GN=RIR1 PE=1 SV=1 with 0
mismatches
Associated sp_P03190_RIR1_EBVB9_Ribonucleoside-
diphosphate_reductase_large_subunit_OS=Epstein-
Barr_virus_(strain_B95-8)_OX=10377_GN=RIR1_PE=1_SV=1 chain A to
sp|P03190|RIR1_EBVB9 Ribonucleoside-diphosphate reductase large subunit
OS=Epstein-Barr virus (strain B95-8) OX=10377 GN=RIR1 PE=1 SV=1 with 0
mismatches
Associated sp_P03190_RIR1_EBVB9_Ribonucleoside-
diphosphate_reductase_large_subunit_OS=Epstein-
Barr_virus_(strain_B95-8)_OX=10377_GN=RIR1_PE=1_SV=1 chain C to
sp|P03190|RIR1_EBVB9 Ribonucleoside-diphosphate reductase large subunit
OS=Epstein-Barr virus (strain B95-8) OX=10377 GN=RIR1 PE=1 SV=1 with 0
mismatches
Associated sp_P03190_RIR1_EBVB9_Ribonucleoside-
diphosphate_reductase_large_subunit_OS=Epstein-
Barr_virus_(strain_B95-8)_OX=10377_GN=RIR1_PE=1_SV=1 chain A to
sp|P03190|RIR1_EBVB9 Ribonucleoside-diphosphate reductase large subunit
OS=Epstein-Barr virus (strain B95-8) OX=10377 GN=RIR1 PE=1 SV=1 with 0
mismatches
Associated sp_P03190_RIR1_EBVB9_Ribonucleoside-
diphosphate_reductase_large_subunit_OS=Epstein-
Barr_virus_(strain_B95-8)_OX=10377_GN=RIR1_PE=1_SV=1 chain C to
sp|P03190|RIR1_EBVB9 Ribonucleoside-diphosphate reductase large subunit
OS=Epstein-Barr virus (strain B95-8) OX=10377 GN=RIR1 PE=1 SV=1 with 0
mismatches
Chain information for sp_P03190_RIR1_EBVB9_Ribonucleoside-
diphosphate_reductase_large_subunit_OS=Epstein-
Barr_virus_(strain_B95-8)_OX=10377_GN=RIR1_PE=1_SV=1
---
Chain | Description
13.1/A 13.2/A 13.3/A 13.4/A 13.5/A 13.1/C 13.2/C 13.3/C 13.4/C 13.5/C | No description available
> open /Users/claremorris/Downloads/1brs.pdb
1brs.pdb title:
Protein-protein recognition: crystal structural analysis of A barnase- barstar
complex At 2.0-A resolution [more info...]
Chain information for 1brs.pdb #14
---
Chain | Description | UniProt
A B C | barnase | RNBR_BACAM 1-110
D E F | barstar | BARS_BACAM 1-89
2 atoms have alternate locations. Control/examine alternate locations with
Altloc Explorer [start tool...] or the altlocs command.
> open /Users/claremorris/GradSchool/VSCode/pytraj/setup.py
sys.argv
['/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/__main__.py']
Traceback (most recent call last):
File "/Users/claremorris/GradSchool/VSCode/pytraj/setup.py", line 23, in
<module>
from scripts.base_setup import (check_flag, write_version_py,
get_version_info,
ModuleNotFoundError: No module named 'scripts'
Failed opening file /Users/claremorris/GradSchool/VSCode/pytraj/setup.py:
Error opening python file /Users/claremorris/GradSchool/VSCode/pytraj/setup.py
> open /Users/claremorris/GradSchool/Research/NIK/ligand_firstframe.pdb
> hide #!11 models
> hide #!13 models
> hide #13.1 models
> hide #13.2 models
> show #!7 models
Drag select of 27 residues
> show #!13 models
> hide #!13 models
> show #!11 models
> select #11.4/A:1-826
6540 atoms, 6699 bonds, 826 residues, 1 model selected
> open /Users/claremorris/Downloads/n67b1kflfk.pqr
Summary of feedback from opening /Users/claremorris/Downloads/n67b1kflfk.pqr
---
warnings | Duplicate atom serial number found: 1
Duplicate atom serial number found: 2
Duplicate atom serial number found: 3
Duplicate atom serial number found: 4
Duplicate atom serial number found: 5
19 messages similar to the above omitted
Chain information for n67b1kflfk.pqr #16
---
Chain | Description
A | No description available
Associated n67b1kflfk.pqr chain A to sp|P03190|RIR1_EBVB9 Ribonucleoside-
diphosphate reductase large subunit OS=Epstein-Barr virus (strain B95-8)
OX=10377 GN=RIR1 PE=1 SV=1 with 1 mismatch
Computing secondary structure
> hide #!5 models
> hide #!7 models
> hide #!11 models
> hide #11.4 models
> hide #!14 models
> hide #15 models
> hide #16 models
> show #!4 models
> show #!5 models
> hide #!5 models
> save
> /Users/claremorris/GradSchool/Research/Apobec/BORF/RNR_modelling/BORF2_fla3b_zn.pdb
> open
> /Users/claremorris/Downloads/BORF2_monomer_fromryan_modelledloops11.3_propka.pqr
Summary of feedback from opening
/Users/claremorris/Downloads/BORF2_monomer_fromryan_modelledloops11.3_propka.pqr
---
warnings | Duplicate atom serial number found: 1
Duplicate atom serial number found: 2
Duplicate atom serial number found: 3
Duplicate atom serial number found: 4
Duplicate atom serial number found: 5
19 messages similar to the above omitted
Chain information for BORF2_monomer_fromryan_modelledloops11.3_propka.pqr #17
---
Chain | Description
A | No description available
Associated BORF2_monomer_fromryan_modelledloops11.3_propka.pqr chain A to
sp|P03190|RIR1_EBVB9 Ribonucleoside-diphosphate reductase large subunit
OS=Epstein-Barr virus (strain B95-8) OX=10377 GN=RIR1 PE=1 SV=1 with 1
mismatch
Computing secondary structure
> hide #!4 models
> open
> /Users/claremorris/Downloads/FL-a3b_monomer_fromryan_modelledloops5.4_propka.pqr
Chain information for FL-a3b_monomer_fromryan_modelledloops5.4_propka.pqr #18
---
Chain | Description
B | No description available
Computing secondary structure
> open /Users/claremorris/Downloads/pro4a.mol2
Opened pro4a.mol2 containing 1 structure (27 atoms, 27 bonds)
> hide #17 models
> hide #18 models
> hide #19 models
> show #!9 models
> hide #!9 models
> show #!6 models
> hide #!6 models
> select clear
> log metadata #19
The model has no metadata
> log chains #19
> open
> /Users/claremorris/GradSchool/Research/Apobec/BORF/metadynamics/sim1_borf2_a3b_monomer_metadynamics_rep1_dry.nc
Command cancelled by user
> open
> /Users/claremorris/GradSchool/Research/Apobec/BORF/metadynamics/borf2_a3b_monomer_dry.prmtop
Unrecognized file suffix '.prmtop'
> open
> /Users/claremorris/GradSchool/Research/Apobec/BORF/metadynamics/BORF2_A3Bctd_monomer_wsegid.pdb
Chain information for BORF2_A3Bctd_monomer_wsegid.pdb #20
---
Chain | Description
A | No description available
B | No description available
Associated BORF2_A3Bctd_monomer_wsegid.pdb chain A to sp|P03190|RIR1_EBVB9
Ribonucleoside-diphosphate reductase large subunit OS=Epstein-Barr virus
(strain B95-8) OX=10377 GN=RIR1 PE=1 SV=1 with 0 mismatches
Computing secondary structure
> select add #20
14464 atoms, 14651 bonds, 913 residues, 1 model selected
> select subtract #20
Nothing selected
> show #20 atoms
[Repeated 1 time(s)]
> hide #20 atoms
> ui tool show "Selection Inspector"
> show #20 target m
> view #20 clip false
> open
> /Users/claremorris/GradSchool/Research/Apobec/BORF/metadynamics/sim1_borf2_a3b_monomer_metadynamics_rep1_dry.nc
Specified structure has 14464 atoms whereas the coordinates are for 14458
atoms
> open
> /Users/claremorris/GradSchool/Research/Apobec/BORF/metadynamics/BORF2_a3b_monomer_min_eq.pdb
Summary of feedback from opening
/Users/claremorris/GradSchool/Research/Apobec/BORF/metadynamics/BORF2_a3b_monomer_min_eq.pdb
---
warnings | Ignored bad PDB record found on line 50709
ATOM 50708 O WAT X271a 96.227 95.464 126.284 0.00 0.00 O
Ignored bad PDB record found on line 50710
ATOM 50709 H1 WAT X271a 96.344 95.438 125.420 0.00 0.00 H
Ignored bad PDB record found on line 50711
ATOM 50710 H2 WAT X271a 96.707 96.148 126.535 0.00 0.00 H
Ignored bad PDB record found on line 50712
ATOM 50711 EPW WAT X271a 96.315 95.561 126.194 0.00 0.00
Ignored bad PDB record found on line 50713
ATOM 50712 O WAT X271b 105.471 87.606 41.484 0.00 0.00 O
37303 messages similar to the above omitted
Duplicate atom serial number found: 18700
Duplicate atom serial number found: 18701
Duplicate atom serial number found: 18702
Duplicate atom serial number found: 18703
Duplicate atom serial number found: 18704
5 messages similar to the above omitted
Ignored bad PDB record found on line 100107
ATOM 1870a H2 WAT X5757 105.233 60.529 13.718 0.00 0.00 H
Ignored bad PDB record found on line 100108
ATOM 1870b EPW WAT X5757 104.528 60.229 13.551 0.00 0.00
Ignored bad PDB record found on line 100109
ATOM 1870c O WAT X5758 82.770 76.395 19.845 0.00 0.00 O
Ignored bad PDB record found on line 100110
ATOM 1870d H1 WAT X5758 83.584 76.397 20.160 0.00 0.00 H
Ignored bad PDB record found on line 100111
ATOM 1870e H2 WAT X5758 82.881 76.513 18.988 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 18710
Duplicate atom serial number found: 18711
Duplicate atom serial number found: 18712
Duplicate atom serial number found: 18713
Ignored bad PDB record found on line 100117
ATOM 18714 O WAT X575a 89.609 30.528 47.747 0.00 0.00 O
Ignored bad PDB record found on line 100118
ATOM 18715 H1 WAT X575a 89.919 31.338 47.842 0.00 0.00 H
Ignored bad PDB record found on line 100119
ATOM 18716 H2 WAT X575a 89.479 30.261 48.567 0.00 0.00 H
Ignored bad PDB record found on line 100120
ATOM 18717 EPW WAT X575a 89.636 30.608 47.882 0.00 0.00
Ignored bad PDB record found on line 100121
ATOM 18718 O WAT X575b 89.494 68.269 40.551 0.00 0.00 O
23 messages similar to the above omitted
Duplicate atom serial number found: 18730
Duplicate atom serial number found: 18731
Duplicate atom serial number found: 18732
Duplicate atom serial number found: 18733
Duplicate atom serial number found: 18734
5 messages similar to the above omitted
Ignored bad PDB record found on line 100155
ATOM 1873a H2 WAT X5763 76.549 55.214 16.683 0.00 0.00 H
Ignored bad PDB record found on line 100156
ATOM 1873b EPW WAT X5763 76.979 55.618 17.199 0.00 0.00
Ignored bad PDB record found on line 100157
ATOM 1873c O WAT X5764 102.658 92.783 18.771 0.00 0.00 O
Ignored bad PDB record found on line 100158
ATOM 1873d H1 WAT X5764 101.792 92.697 18.708 0.00 0.00 H
Ignored bad PDB record found on line 100159
ATOM 1873e H2 WAT X5764 102.960 91.993 18.559 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 18740
Duplicate atom serial number found: 18741
Duplicate atom serial number found: 18742
Duplicate atom serial number found: 18743
Duplicate atom serial number found: 18744
5 messages similar to the above omitted
Ignored bad PDB record found on line 100171
ATOM 1874a H2 WAT X5767 85.551 53.974 22.999 0.00 0.00 H
Ignored bad PDB record found on line 100172
ATOM 1874b EPW WAT X5767 85.630 53.355 22.525 0.00 0.00
Ignored bad PDB record found on line 100173
ATOM 1874c O WAT X5768 83.411 42.090 39.902 0.00 0.00 O
Ignored bad PDB record found on line 100174
ATOM 1874d H1 WAT X5768 84.030 42.590 39.545 0.00 0.00 H
Ignored bad PDB record found on line 100175
ATOM 1874e H2 WAT X5768 83.618 41.285 39.637 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 18750
Duplicate atom serial number found: 18751
Duplicate atom serial number found: 18752
Duplicate atom serial number found: 18753
Ignored bad PDB record found on line 100181
ATOM 18754 O WAT X576a 82.581 70.108 9.179 0.00 0.00 O
Ignored bad PDB record found on line 100182
ATOM 18755 H1 WAT X576a 82.612 69.490 9.794 0.00 0.00 H
Ignored bad PDB record found on line 100183
ATOM 18756 H2 WAT X576a 83.099 70.736 9.493 0.00 0.00 H
Ignored bad PDB record found on line 100184
ATOM 18757 EPW WAT X576a 82.662 70.109 9.316 0.00 0.00
Ignored bad PDB record found on line 100185
ATOM 18758 O WAT X576b 113.586 46.201 33.539 0.00 0.00 O
23 messages similar to the above omitted
Duplicate atom serial number found: 18770
Duplicate atom serial number found: 18771
Duplicate atom serial number found: 18772
Duplicate atom serial number found: 18773
Duplicate atom serial number found: 18774
5 messages similar to the above omitted
Ignored bad PDB record found on line 100219
ATOM 1877a H2 WAT X5773 86.738 59.202 40.871 0.00 0.00 H
Ignored bad PDB record found on line 100220
ATOM 1877b EPW WAT X5773 86.185 58.656 40.772 0.00 0.00
Ignored bad PDB record found on line 100221
ATOM 1877c O WAT X5774 125.723 48.653 18.356 0.00 0.00 O
Ignored bad PDB record found on line 100222
ATOM 1877d H1 WAT X5774 125.540 49.432 18.705 0.00 0.00 H
Ignored bad PDB record found on line 100223
ATOM 1877e H2 WAT X5774 126.592 48.666 18.273 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 18780
Duplicate atom serial number found: 18781
Duplicate atom serial number found: 18782
Duplicate atom serial number found: 18783
Duplicate atom serial number found: 18784
5 messages similar to the above omitted
Ignored bad PDB record found on line 100235
ATOM 1878a H2 WAT X5777 87.156 67.149 23.761 0.00 0.00 H
Ignored bad PDB record found on line 100236
ATOM 1878b EPW WAT X5777 86.586 67.634 23.527 0.00 0.00
Ignored bad PDB record found on line 100237
ATOM 1878c O WAT X5778 84.268 65.633 25.199 0.00 0.00 O
Ignored bad PDB record found on line 100238
ATOM 1878d H1 WAT X5778 84.116 65.355 24.386 0.00 0.00 H
Ignored bad PDB record found on line 100239
ATOM 1878e H2 WAT X5778 84.257 66.502 25.124 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 18790
Duplicate atom serial number found: 18791
Duplicate atom serial number found: 18792
Duplicate atom serial number found: 18793
Ignored bad PDB record found on line 100245
ATOM 18794 O WAT X577a 110.755 21.513 63.343 0.00 0.00 O
Ignored bad PDB record found on line 100246
ATOM 18795 H1 WAT X577a 111.580 21.780 63.246 0.00 0.00 H
Ignored bad PDB record found on line 100247
ATOM 18796 H2 WAT X577a 110.404 22.115 63.868 0.00 0.00 H
Ignored bad PDB record found on line 100248
ATOM 18797 EPW WAT X577a 110.825 21.641 63.406 0.00 0.00
Ignored bad PDB record found on line 100249
ATOM 18798 O WAT X577b 87.378 36.615 36.947 0.00 0.00 O
103 messages similar to the above omitted
Duplicate atom serial number found: 18800
Duplicate atom serial number found: 18801
Duplicate atom serial number found: 18802
Duplicate atom serial number found: 18803
Duplicate atom serial number found: 18804
5 messages similar to the above omitted
Ignored bad PDB record found on line 100363
ATOM 1880a H2 WAT X5797 28.187 86.357 33.407 0.00 0.00 H
Ignored bad PDB record found on line 100364
ATOM 1880b EPW WAT X5797 27.474 86.201 33.695 0.00 0.00
Ignored bad PDB record found on line 100365
ATOM 1880c O WAT X5798 75.806 42.902 106.867 0.00 0.00 O
Ignored bad PDB record found on line 100366
ATOM 1880d H1 WAT X5798 75.423 42.201 107.219 0.00 0.00 H
Ignored bad PDB record found on line 100367
ATOM 1880e H2 WAT X5798 76.501 43.034 107.377 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 18810
Duplicate atom serial number found: 18811
Duplicate atom serial number found: 18812
Duplicate atom serial number found: 18813
Ignored bad PDB record found on line 100373
ATOM 18814 O WAT X579a 110.829 53.755 41.634 0.00 0.00 O
Ignored bad PDB record found on line 100374
ATOM 18815 H1 WAT X579a 110.525 54.571 41.679 0.00 0.00 H
Ignored bad PDB record found on line 100375
ATOM 18816 H2 WAT X579a 111.345 53.767 40.930 0.00 0.00 H
Ignored bad PDB record found on line 100376
ATOM 18817 EPW WAT X579a 110.860 53.877 41.537 0.00 0.00
Ignored bad PDB record found on line 100377
ATOM 18818 O WAT X579b 92.434 56.081 29.929 0.00 0.00 O
2023 messages similar to the above omitted
Duplicate atom serial number found: 19000
Duplicate atom serial number found: 19001
Duplicate atom serial number found: 19002
Duplicate atom serial number found: 19003
Duplicate atom serial number found: 19004
5 messages similar to the above omitted
Ignored bad PDB record found on line 102411
ATOM 1900a H2 WAT X5997 80.068 79.455 103.775 0.00 0.00 H
Ignored bad PDB record found on line 102412
ATOM 1900b EPW WAT X5997 79.790 79.547 103.048 0.00 0.00
Ignored bad PDB record found on line 102413
ATOM 1900c O WAT X5998 73.341 10.726 127.362 0.00 0.00 O
Ignored bad PDB record found on line 102414
ATOM 1900d H1 WAT X5998 73.440 10.353 126.579 0.00 0.00 H
Ignored bad PDB record found on line 102415
ATOM 1900e H2 WAT X5998 73.263 11.575 127.176 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 19010
Duplicate atom serial number found: 19011
Duplicate atom serial number found: 19012
Duplicate atom serial number found: 19013
Ignored bad PDB record found on line 102421
ATOM 19014 O WAT X599a 89.759 28.428 74.450 0.00 0.00 O
Ignored bad PDB record found on line 102422
ATOM 19015 H1 WAT X599a 89.134 28.980 74.706 0.00 0.00 H
Ignored bad PDB record found on line 102423
ATOM 19016 H2 WAT X599a 90.417 28.592 74.999 0.00 0.00 H
Ignored bad PDB record found on line 102424
ATOM 19017 EPW WAT X599a 89.764 28.534 74.569 0.00 0.00
Ignored bad PDB record found on line 102425
ATOM 19018 O WAT X599b 63.291 35.209 125.250 0.00 0.00 O
28647 messages similar to the above omitted
Duplicate atom serial number found: 20000
Duplicate atom serial number found: 20001
Duplicate atom serial number found: 20002
Duplicate atom serial number found: 20003
Duplicate atom serial number found: 20004
5 messages similar to the above omitted
Ignored bad PDB record found on line 131083
ATOM 2000a H2 WAT X7597 74.648 105.064 16.987 0.00 0.00 H
Ignored bad PDB record found on line 131084
ATOM 2000b EPW WAT X7597 74.893 105.302 17.692 0.00 0.00
Ignored bad PDB record found on line 131085
ATOM 2000c O WAT X7598 88.309 74.090 17.893 0.00 0.00 O
Ignored bad PDB record found on line 131086
ATOM 2000d H1 WAT X7598 88.402 73.340 17.456 0.00 0.00 H
Ignored bad PDB record found on line 131087
ATOM 2000e H2 WAT X7598 87.874 73.855 18.611 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 20010
Duplicate atom serial number found: 20011
Duplicate atom serial number found: 20012
Duplicate atom serial number found: 20013
Ignored bad PDB record found on line 131093
ATOM 20014 O WAT X759a 71.377 52.587 21.092 0.00 0.00 O
Ignored bad PDB record found on line 131094
ATOM 20015 H1 WAT X759a 71.156 52.548 21.936 0.00 0.00 H
Ignored bad PDB record found on line 131095
ATOM 20016 H2 WAT X759a 70.626 52.783 20.693 0.00 0.00 H
Ignored bad PDB record found on line 131096
ATOM 20017 EPW WAT X759a 71.233 52.610 21.158 0.00 0.00
Ignored bad PDB record found on line 131097
ATOM 20018 O WAT X759b 77.018 38.842 17.773 0.00 0.00 O
487 messages similar to the above omitted
Duplicate atom serial number found: 20200
Duplicate atom serial number found: 20201
Duplicate atom serial number found: 20202
Duplicate atom serial number found: 20203
Duplicate atom serial number found: 20204
5 messages similar to the above omitted
Ignored bad PDB record found on line 131595
ATOM 2020a H2 WAT X7617 71.616 73.947 22.815 0.00 0.00 H
Ignored bad PDB record found on line 131596
ATOM 2020b EPW WAT X7617 71.847 73.382 23.306 0.00 0.00
Ignored bad PDB record found on line 131597
ATOM 2020c O WAT X7618 69.001 67.876 32.536 0.00 0.00 O
Ignored bad PDB record found on line 131598
ATOM 2020d H1 WAT X7618 69.826 67.963 32.267 0.00 0.00 H
Ignored bad PDB record found on line 131599
ATOM 2020e H2 WAT X7618 68.639 67.368 31.926 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 20210
Duplicate atom serial number found: 20211
Duplicate atom serial number found: 20212
Duplicate atom serial number found: 20213
Ignored bad PDB record found on line 131605
ATOM 20214 O WAT X761a 88.226 40.116 9.974 0.00 0.00 O
Ignored bad PDB record found on line 131606
ATOM 20215 H1 WAT X761a 88.592 40.348 9.217 0.00 0.00 H
Ignored bad PDB record found on line 131607
ATOM 20216 H2 WAT X761a 87.372 40.212 9.827 0.00 0.00 H
Ignored bad PDB record found on line 131608
ATOM 20217 EPW WAT X761a 88.154 40.165 9.840 0.00 0.00
Ignored bad PDB record found on line 131609
ATOM 20218 O WAT X761b 68.669 79.154 21.690 0.00 0.00 O
23 messages similar to the above omitted
Duplicate atom serial number found: 20230
Duplicate atom serial number found: 20231
Duplicate atom serial number found: 20232
Duplicate atom serial number found: 20233
Duplicate atom serial number found: 20234
5 messages similar to the above omitted
Ignored bad PDB record found on line 131643
ATOM 2023a H2 WAT X7623 66.896 36.246 6.252 0.00 0.00 H
Ignored bad PDB record found on line 131644
ATOM 2023b EPW WAT X7623 66.402 35.877 6.737 0.00 0.00
Ignored bad PDB record found on line 131645
ATOM 2023c O WAT X7624 80.952 62.052 39.629 0.00 0.00 O
Ignored bad PDB record found on line 131646
ATOM 2023d H1 WAT X7624 81.685 61.644 39.388 0.00 0.00 H
Ignored bad PDB record found on line 131647
ATOM 2023e H2 WAT X7624 80.390 61.400 39.767 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 20240
Duplicate atom serial number found: 20241
Duplicate atom serial number found: 20242
Duplicate atom serial number found: 20243
Duplicate atom serial number found: 20244
5 messages similar to the above omitted
Ignored bad PDB record found on line 131659
ATOM 2024a H2 WAT X7627 43.657 66.362 48.110 0.00 0.00 H
Ignored bad PDB record found on line 131660
ATOM 2024b EPW WAT X7627 43.149 66.202 48.686 0.00 0.00
Ignored bad PDB record found on line 131661
ATOM 2024c O WAT X7628 64.141 86.564 33.796 0.00 0.00 O
Ignored bad PDB record found on line 131662
ATOM 2024d H1 WAT X7628 64.747 87.107 34.112 0.00 0.00 H
Ignored bad PDB record found on line 131663
ATOM 2024e H2 WAT X7628 64.350 85.795 34.150 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 20250
Duplicate atom serial number found: 20251
Duplicate atom serial number found: 20252
Duplicate atom serial number found: 20253
Ignored bad PDB record found on line 131669
ATOM 20254 O WAT X762a 81.020 82.135 38.124 0.00 0.00 O
Ignored bad PDB record found on line 131670
ATOM 20255 H1 WAT X762a 81.127 82.145 38.990 0.00 0.00 H
Ignored bad PDB record found on line 131671
ATOM 20256 H2 WAT X762a 81.836 82.169 37.816 0.00 0.00 H
Ignored bad PDB record found on line 131672
ATOM 20257 EPW WAT X762a 81.157 82.142 38.206 0.00 0.00
Ignored bad PDB record found on line 131673
ATOM 20258 O WAT X762b 67.620 64.784 22.978 0.00 0.00 O
23 messages similar to the above omitted
Duplicate atom serial number found: 20270
Duplicate atom serial number found: 20271
Duplicate atom serial number found: 20272
Duplicate atom serial number found: 20273
Duplicate atom serial number found: 20274
5 messages similar to the above omitted
Ignored bad PDB record found on line 131707
ATOM 2027a H2 WAT X7633 75.880 51.507 30.118 0.00 0.00 H
Ignored bad PDB record found on line 131708
ATOM 2027b EPW WAT X7633 75.821 50.820 30.490 0.00 0.00
Ignored bad PDB record found on line 131709
ATOM 2027c O WAT X7634 54.739 75.814 108.037 0.00 0.00 O
Ignored bad PDB record found on line 131710
ATOM 2027d H1 WAT X7634 54.503 76.541 108.458 0.00 0.00 H
Ignored bad PDB record found on line 131711
ATOM 2027e H2 WAT X7634 53.978 75.452 107.810 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 20280
Duplicate atom serial number found: 20281
Duplicate atom serial number found: 20282
Duplicate atom serial number found: 20283
Duplicate atom serial number found: 20284
5 messages similar to the above omitted
Ignored bad PDB record found on line 131723
ATOM 2028a H2 WAT X7637 84.003 75.522 116.971 0.00 0.00 H
Ignored bad PDB record found on line 131724
ATOM 2028b EPW WAT X7637 84.036 76.038 117.560 0.00 0.00
Ignored bad PDB record found on line 131725
ATOM 2028c O WAT X7638 40.199 79.494 18.928 0.00 0.00 O
Ignored bad PDB record found on line 131726
ATOM 2028d H1 WAT X7638 39.401 79.395 19.268 0.00 0.00 H
Ignored bad PDB record found on line 131727
ATOM 2028e H2 WAT X7638 40.181 80.299 18.593 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 20290
Duplicate atom serial number found: 20291
Duplicate atom serial number found: 20292
Duplicate atom serial number found: 20293
Ignored bad PDB record found on line 131733
ATOM 20294 O WAT X763a 83.372 71.679 29.419 0.00 0.00 O
Ignored bad PDB record found on line 131734
ATOM 20295 H1 WAT X763a 83.548 70.928 29.011 0.00 0.00 H
Ignored bad PDB record found on line 131735
ATOM 20296 H2 WAT X763a 84.118 72.127 29.355 0.00 0.00 H
Ignored bad PDB record found on line 131736
ATOM 20297 EPW WAT X763a 83.508 71.635 29.349 0.00 0.00
Ignored bad PDB record found on line 131737
ATOM 20298 O WAT X763b 78.059 84.989 37.538 0.00 0.00 O
103 messages similar to the above omitted
Duplicate atom serial number found: 20300
Duplicate atom serial number found: 20301
Duplicate atom serial number found: 20302
Duplicate atom serial number found: 20303
Duplicate atom serial number found: 20304
5 messages similar to the above omitted
Ignored bad PDB record found on line 131851
ATOM 2030a H2 WAT X7657 79.020 85.256 122.576 0.00 0.00 H
Ignored bad PDB record found on line 131852
ATOM 2030b EPW WAT X7657 79.288 84.789 122.006 0.00 0.00
Ignored bad PDB record found on line 131853
ATOM 2030c O WAT X7658 93.746 88.854 34.222 0.00 0.00 O
Ignored bad PDB record found on line 131854
ATOM 2030d H1 WAT X7658 92.934 88.556 34.114 0.00 0.00 H
Ignored bad PDB record found on line 131855
ATOM 2030e H2 WAT X7658 93.758 89.119 35.054 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 20310
Duplicate atom serial number found: 20311
Duplicate atom serial number found: 20312
Duplicate atom serial number found: 20313
Ignored bad PDB record found on line 131861
ATOM 20314 O WAT X765a 99.295 46.936 16.611 0.00 0.00 O
Ignored bad PDB record found on line 131862
ATOM 20315 H1 WAT X765a 99.873 46.336 16.355 0.00 0.00 H
Ignored bad PDB record found on line 131863
ATOM 20316 H2 WAT X765a 98.822 46.521 17.215 0.00 0.00 H
Ignored bad PDB record found on line 131864
ATOM 20317 EPW WAT X765a 99.310 46.786 16.663 0.00 0.00
Ignored bad PDB record found on line 131865
ATOM 20318 O WAT X765b 41.946 52.451 39.683 0.00 0.00 O
23 messages similar to the above omitted
Duplicate atom serial number found: 20330
Duplicate atom serial number found: 20331
Duplicate atom serial number found: 20332
Duplicate atom serial number found: 20333
Duplicate atom serial number found: 20334
5 messages similar to the above omitted
Ignored bad PDB record found on line 131899
ATOM 2033a H2 WAT X7663 96.441 82.940 0.755 0.00 0.00 H
Ignored bad PDB record found on line 131900
ATOM 2033b EPW WAT X7663 96.882 82.297 0.831 0.00 0.00
Ignored bad PDB record found on line 131901
ATOM 2033c O WAT X7664 88.272 59.462 36.315 0.00 0.00 O
Ignored bad PDB record found on line 131902
ATOM 2033d H1 WAT X7664 87.592 59.848 36.701 0.00 0.00 H
Ignored bad PDB record found on line 131903
ATOM 2033e H2 WAT X7664 88.573 60.073 35.770 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 20340
Duplicate atom serial number found: 20341
Duplicate atom serial number found: 20342
Duplicate atom serial number found: 20343
Duplicate atom serial number found: 20344
5 messages similar to the above omitted
Ignored bad PDB record found on line 131915
ATOM 2034a H2 WAT X7667 63.070 112.732 9.077 0.00 0.00 H
Ignored bad PDB record found on line 131916
ATOM 2034b EPW WAT X7667 62.326 112.595 8.873 0.00 0.00
Ignored bad PDB record found on line 131917
ATOM 2034c O WAT X7668 111.193 85.334 115.639 0.00 0.00 O
Ignored bad PDB record found on line 131918
ATOM 2034d H1 WAT X7668 111.169 86.194 115.782 0.00 0.00 H
Ignored bad PDB record found on line 131919
ATOM 2034e H2 WAT X7668 111.037 84.991 116.426 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 20350
Duplicate atom serial number found: 20351
Duplicate atom serial number found: 20352
Duplicate atom serial number found: 20353
Ignored bad PDB record found on line 131925
ATOM 20354 O WAT X766a 72.804 61.342 18.437 0.00 0.00 O
Ignored bad PDB record found on line 131926
ATOM 20355 H1 WAT X766a 73.155 62.008 18.880 0.00 0.00 H
Ignored bad PDB record found on line 131927
ATOM 20356 H2 WAT X766a 73.147 60.638 18.821 0.00 0.00 H
Ignored bad PDB record found on line 131928
ATOM 20357 EPW WAT X766a 72.907 61.336 18.559 0.00 0.00
Ignored bad PDB record found on line 131929
ATOM 20358 O WAT X766b 50.742 48.867 4.212 0.00 0.00 O
23 messages similar to the above omitted
Duplicate atom serial number found: 20370
Duplicate atom serial number found: 20371
Duplicate atom serial number found: 20372
Duplicate atom serial number found: 20373
Duplicate atom serial number found: 20374
5 messages similar to the above omitted
Ignored bad PDB record found on line 131963
ATOM 2037a H2 WAT X7673 57.691 87.205 7.462 0.00 0.00 H
Ignored bad PDB record found on line 131964
ATOM 2037b EPW WAT X7673 57.907 86.461 7.580 0.00 0.00
Ignored bad PDB record found on line 131965
ATOM 2037c O WAT X7674 64.939 90.109 45.052 0.00 0.00 O
Ignored bad PDB record found on line 131966
ATOM 2037d H1 WAT X7674 64.242 89.603 44.917 0.00 0.00 H
Ignored bad PDB record found on line 131967
ATOM 2037e H2 WAT X7674 65.296 89.777 45.776 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 20380
Duplicate atom serial number found: 20381
Duplicate atom serial number found: 20382
Duplicate atom serial number found: 20383
Duplicate atom serial number found: 20384
5 messages similar to the above omitted
Ignored bad PDB record found on line 131979
ATOM 2038a H2 WAT X7677 92.225 50.600 127.357 0.00 0.00 H
Ignored bad PDB record found on line 131980
ATOM 2038b EPW WAT X7677 92.429 51.040 127.973 0.00 0.00
Ignored bad PDB record found on line 131981
ATOM 2038c O WAT X7678 45.526 73.644 30.631 0.00 0.00 O
Ignored bad PDB record found on line 131982
ATOM 2038d H1 WAT X7678 45.765 73.489 29.806 0.00 0.00 H
Ignored bad PDB record found on line 131983
ATOM 2038e H2 WAT X7678 45.424 72.846 30.968 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 20390
Duplicate atom serial number found: 20391
Duplicate atom serial number found: 20392
Duplicate atom serial number found: 20393
Ignored bad PDB record found on line 131989
ATOM 20394 O WAT X767a 63.463 49.787 20.520 0.00 0.00 O
Ignored bad PDB record found on line 131990
ATOM 20395 H1 WAT X767a 62.887 49.997 21.141 0.00 0.00 H
Ignored bad PDB record found on line 131991
ATOM 20396 H2 WAT X767a 63.048 49.177 20.054 0.00 0.00 H
Ignored bad PDB record found on line 131992
ATOM 20397 EPW WAT X767a 63.316 49.728 20.543 0.00 0.00
Ignored bad PDB record found on line 131993
ATOM 20398 O WAT X767b 46.208 65.878 1.180 0.00 0.00 O
103 messages similar to the above omitted
Duplicate atom serial number found: 20400
Duplicate atom serial number found: 20401
Duplicate atom serial number found: 20402
Duplicate atom serial number found: 20403
Duplicate atom serial number found: 20404
5 messages similar to the above omitted
Ignored bad PDB record found on line 132107
ATOM 2040a H2 WAT X7697 74.911 69.245 4.048 0.00 0.00 H
Ignored bad PDB record found on line 132108
ATOM 2040b EPW WAT X7697 74.776 69.999 3.878 0.00 0.00
Ignored bad PDB record found on line 132109
ATOM 2040c O WAT X7698 77.835 73.534 27.908 0.00 0.00 O
Ignored bad PDB record found on line 132110
ATOM 2040d H1 WAT X7698 78.349 74.239 27.901 0.00 0.00 H
Ignored bad PDB record found on line 132111
ATOM 2040e H2 WAT X7698 77.455 73.550 27.122 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 20410
Duplicate atom serial number found: 20411
Duplicate atom serial number found: 20412
Duplicate atom serial number found: 20413
Ignored bad PDB record found on line 132117
ATOM 20414 O WAT X769a 100.024 63.762 6.707 0.00 0.00 O
Ignored bad PDB record found on line 132118
ATOM 20415 H1 WAT X769a 100.076 64.633 6.734 0.00 0.00 H
Ignored bad PDB record found on line 132119
ATOM 20416 H2 WAT X769a 100.576 63.504 7.331 0.00 0.00 H
Ignored bad PDB record found on line 132120
ATOM 20417 EPW WAT X769a 100.113 63.853 6.803 0.00 0.00
Ignored bad PDB record found on line 132121
ATOM 20418 O WAT X769b 91.359 52.843 25.498 0.00 0.00 O
487 messages similar to the above omitted
Duplicate atom serial number found: 20600
Duplicate atom serial number found: 20601
Duplicate atom serial number found: 20602
Duplicate atom serial number found: 20603
Duplicate atom serial number found: 20604
5 messages similar to the above omitted
Ignored bad PDB record found on line 132619
ATOM 2060a H2 WAT X7717 61.731 51.731 4.818 0.00 0.00 H
Ignored bad PDB record found on line 132620
ATOM 2060b EPW WAT X7717 61.814 50.952 4.826 0.00 0.00
Ignored bad PDB record found on line 132621
ATOM 2060c O WAT X7718 40.946 57.064 110.206 0.00 0.00 O
Ignored bad PDB record found on line 132622
ATOM 2060d H1 WAT X7718 41.249 57.005 109.390 0.00 0.00 H
Ignored bad PDB record found on line 132623
ATOM 2060e H2 WAT X7718 40.688 56.251 110.389 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 20610
Duplicate atom serial number found: 20611
Duplicate atom serial number found: 20612
Duplicate atom serial number found: 20613
Ignored bad PDB record found on line 132629
ATOM 20614 O WAT X771a 64.283 80.905 113.129 0.00 0.00 O
Ignored bad PDB record found on line 132630
ATOM 20615 H1 WAT X771a 64.406 80.424 112.412 0.00 0.00 H
Ignored bad PDB record found on line 132631
ATOM 20616 H2 WAT X771a 63.962 80.335 113.706 0.00 0.00 H
Ignored bad PDB record found on line 132632
ATOM 20617 EPW WAT X771a 64.253 80.750 113.109 0.00 0.00
Ignored bad PDB record found on line 132633
ATOM 20618 O WAT X771b 79.556 65.853 112.679 0.00 0.00 O
23 messages similar to the above omitted
Duplicate atom serial number found: 20630
Duplicate atom serial number found: 20631
Duplicate atom serial number found: 20632
Duplicate atom serial number found: 20633
Duplicate atom serial number found: 20634
5 messages similar to the above omitted
Ignored bad PDB record found on line 132667
ATOM 2063a H2 WAT X7723 72.543 68.813 120.952 0.00 0.00 H
Ignored bad PDB record found on line 132668
ATOM 2063b EPW WAT X7723 71.835 68.577 120.710 0.00 0.00
Ignored bad PDB record found on line 132669
ATOM 2063c O WAT X7724 82.351 106.479 14.677 0.00 0.00 O
Ignored bad PDB record found on line 132670
ATOM 2063d H1 WAT X7724 81.903 105.748 14.515 0.00 0.00 H
Ignored bad PDB record found on line 132671
ATOM 2063e H2 WAT X7724 82.616 106.736 13.886 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 20640
Duplicate atom serial number found: 20641
Duplicate atom serial number found: 20642
Duplicate atom serial number found: 20643
Duplicate atom serial number found: 20644
5 messages similar to the above omitted
Ignored bad PDB record found on line 132683
ATOM 2064a H2 WAT X7727 72.313 39.762 100.005 0.00 0.00 H
Ignored bad PDB record found on line 132684
ATOM 2064b EPW WAT X7727 72.804 40.153 100.474 0.00 0.00
Ignored bad PDB record found on line 132685
ATOM 2064c O WAT X7728 52.487 24.961 105.913 0.00 0.00 O
Ignored bad PDB record found on line 132686
ATOM 2064d H1 WAT X7728 52.385 24.166 106.258 0.00 0.00 H
Ignored bad PDB record found on line 132687
ATOM 2064e H2 WAT X7728 51.718 25.120 105.533 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 20650
Duplicate atom serial number found: 20651
Duplicate atom serial number found: 20652
Duplicate atom serial number found: 20653
Ignored bad PDB record found on line 132693
ATOM 20654 O WAT X772a 83.926 39.566 12.788 0.00 0.00 O
Ignored bad PDB record found on line 132694
ATOM 20655 H1 WAT X772a 84.171 39.220 13.550 0.00 0.00 H
Ignored bad PDB record found on line 132695
ATOM 20656 H2 WAT X772a 83.487 40.283 13.021 0.00 0.00 H
Ignored bad PDB record found on line 132696
ATOM 20657 EPW WAT X772a 83.898 39.621 12.935 0.00 0.00
Ignored bad PDB record found on line 132697
ATOM 20658 O WAT X772b 80.536 39.800 13.971 0.00 0.00 O
23 messages similar to the above omitted
Duplicate atom serial number found: 20670
Duplicate atom serial number found: 20671
Duplicate atom serial number found: 20672
Duplicate atom serial number found: 20673
Duplicate atom serial number found: 20674
5 messages similar to the above omitted
Ignored bad PDB record found on line 132731
ATOM 2067a H2 WAT X7733 43.869 65.758 17.921 0.00 0.00 H
Ignored bad PDB record found on line 132732
ATOM 2067b EPW WAT X7733 43.876 65.338 17.259 0.00 0.00
Ignored bad PDB record found on line 132733
ATOM 2067c O WAT X7734 120.876 3.806 0.393 0.00 0.00 O
Ignored bad PDB record found on line 132734
ATOM 2067d H1 WAT X7734 121.230 3.041 0.617 0.00 0.00 H
Ignored bad PDB record found on line 132735
ATOM 2067e H2 WAT X7734 120.021 3.636 0.367 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 20680
Duplicate atom serial number found: 20681
Duplicate atom serial number found: 20682
Duplicate atom serial number found: 20683
Duplicate atom serial number found: 20684
5 messages similar to the above omitted
Ignored bad PDB record found on line 132747
ATOM 2068a H2 WAT X7737 69.231 52.986 31.133 0.00 0.00 H
Ignored bad PDB record found on line 132748
ATOM 2068b EPW WAT X7737 68.834 53.567 30.787 0.00 0.00
Ignored bad PDB record found on line 132749
ATOM 2068c O WAT X7738 47.519 31.270 100.401 0.00 0.00 O
Ignored bad PDB record found on line 132750
ATOM 2068d H1 WAT X7738 46.732 31.293 100.026 0.00 0.00 H
Ignored bad PDB record found on line 132751
ATOM 2068e H2 WAT X7738 47.341 31.320 101.254 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 20690
Duplicate atom serial number found: 20691
Duplicate atom serial number found: 20692
Duplicate atom serial number found: 20693
Ignored bad PDB record found on line 132757
ATOM 20694 O WAT X773a 109.623 44.833 11.200 0.00 0.00 O
Ignored bad PDB record found on line 132758
ATOM 20695 H1 WAT X773a 110.463 44.621 11.302 0.00 0.00 H
Ignored bad PDB record found on line 132759
ATOM 20696 H2 WAT X773a 109.587 45.663 11.466 0.00 0.00 H
Ignored bad PDB record found on line 132760
ATOM 20697 EPW WAT X773a 109.742 44.925 11.254 0.00 0.00
Ignored bad PDB record found on line 132761
ATOM 20698 O WAT X773b 51.395 37.521 122.299 0.00 0.00 O
103 messages similar to the above omitted
Duplicate atom serial number found: 20700
Duplicate atom serial number found: 20701
Duplicate atom serial number found: 20702
Duplicate atom serial number found: 20703
Duplicate atom serial number found: 20704
5 messages similar to the above omitted
Ignored bad PDB record found on line 132875
ATOM 2070a H2 WAT X7757 79.579 23.048 13.158 0.00 0.00 H
Ignored bad PDB record found on line 132876
ATOM 2070b EPW WAT X7757 79.121 23.198 12.540 0.00 0.00
Ignored bad PDB record found on line 132877
ATOM 2070c O WAT X7758 102.664 54.958 114.310 0.00 0.00 O
Ignored bad PDB record found on line 132878
ATOM 2070d H1 WAT X7758 101.809 55.102 114.406 0.00 0.00 H
Ignored bad PDB record found on line 132879
ATOM 2070e H2 WAT X7758 102.760 54.862 113.448 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 20710
Duplicate atom serial number found: 20711
Duplicate atom serial number found: 20712
Duplicate atom serial number found: 20713
Ignored bad PDB record found on line 132885
ATOM 20714 O WAT X775a 78.719 33.411 122.119 0.00 0.00 O
Ignored bad PDB record found on line 132886
ATOM 20715 H1 WAT X775a 79.174 33.228 121.398 0.00 0.00 H
Ignored bad PDB record found on line 132887
ATOM 20716 H2 WAT X775a 77.993 32.934 122.030 0.00 0.00 H
Ignored bad PDB record found on line 132888
ATOM 20717 EPW WAT X775a 78.679 33.313 121.999 0.00 0.00
Ignored bad PDB record found on line 132889
ATOM 20718 O WAT X775b 88.816 43.494 116.838 0.00 0.00 O
23 messages similar to the above omitted
Duplicate atom serial number found: 20730
Duplicate atom serial number found: 20731
Duplicate atom serial number found: 20732
Duplicate atom serial number found: 20733
Duplicate atom serial number found: 20734
5 messages similar to the above omitted
Ignored bad PDB record found on line 132923
ATOM 2073a H2 WAT X7763 78.569 58.562 107.544 0.00 0.00 H
Ignored bad PDB record found on line 132924
ATOM 2073b EPW WAT X7763 78.389 57.940 107.986 0.00 0.00
Ignored bad PDB record found on line 132925
ATOM 2073c O WAT X7764 67.268 72.749 28.084 0.00 0.00 O
Ignored bad PDB record found on line 132926
ATOM 2073d H1 WAT X7764 67.021 72.230 28.740 0.00 0.00 H
Ignored bad PDB record found on line 132927
ATOM 2073e H2 WAT X7764 67.529 73.478 28.485 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 20740
Duplicate atom serial number found: 20741
Duplicate atom serial number found: 20742
Duplicate atom serial number found: 20743
Duplicate atom serial number found: 20744
5 messages similar to the above omitted
Ignored bad PDB record found on line 132939
ATOM 2074a H2 WAT X7767 71.820 85.730 99.852 0.00 0.00 H
Ignored bad PDB record found on line 132940
ATOM 2074b EPW WAT X7767 72.480 85.835 99.443 0.00 0.00
Ignored bad PDB record found on line 132941
ATOM 2074c O WAT X7768 77.767 46.007 119.485 0.00 0.00 O
Ignored bad PDB record found on line 132942
ATOM 2074d H1 WAT X7768 77.071 45.565 119.198 0.00 0.00 H
Ignored bad PDB record found on line 132943
ATOM 2074e H2 WAT X7768 78.442 45.527 119.211 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 20750
Duplicate atom serial number found: 20751
Duplicate atom serial number found: 20752
Duplicate atom serial number found: 20753
Ignored bad PDB record found on line 132949
ATOM 20754 O WAT X776a 53.245 55.163 3.360 0.00 0.00 O
Ignored bad PDB record found on line 132950
ATOM 20755 H1 WAT X776a 52.536 55.314 3.847 0.00 0.00 H
Ignored bad PDB record found on line 132951
ATOM 20756 H2 WAT X776a 53.294 54.293 3.333 0.00 0.00 H
Ignored bad PDB record found on line 132952
ATOM 20757 EPW WAT X776a 53.147 55.057 3.428 0.00 0.00
Ignored bad PDB record found on line 132953
ATOM 20758 O WAT X776b 53.488 54.948 124.209 0.00 0.00 O
23 messages similar to the above omitted
Duplicate atom serial number found: 20770
Duplicate atom serial number found: 20771
Duplicate atom serial number found: 20772
Duplicate atom serial number found: 20773
Duplicate atom serial number found: 20774
5 messages similar to the above omitted
Ignored bad PDB record found on line 132987
ATOM 2077a H2 WAT X7773 49.230 68.841 127.696 0.00 0.00 H
Ignored bad PDB record found on line 132988
ATOM 2077b EPW WAT X7773 48.947 69.501 127.382 0.00 0.00
Ignored bad PDB record found on line 132989
ATOM 2077c O WAT X7774 116.207 32.927 90.279 0.00 0.00 O
Ignored bad PDB record found on line 132990
ATOM 2077d H1 WAT X7774 116.508 32.730 91.074 0.00 0.00 H
Ignored bad PDB record found on line 132991
ATOM 2077e H2 WAT X7774 116.183 32.155 89.872 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 20780
Duplicate atom serial number found: 20781
Duplicate atom serial number found: 20782
Duplicate atom serial number found: 20783
Duplicate atom serial number found: 20784
5 messages similar to the above omitted
Ignored bad PDB record found on line 133003
ATOM 2078a H2 WAT X7777 84.147 60.522 108.221 0.00 0.00 H
Ignored bad PDB record found on line 133004
ATOM 2078b EPW WAT X7777 84.863 60.802 108.067 0.00 0.00
Ignored bad PDB record found on line 133005
ATOM 2078c O WAT X7778 84.480 80.967 116.492 0.00 0.00 O
Ignored bad PDB record found on line 133006
ATOM 2078d H1 WAT X7778 84.773 81.551 115.913 0.00 0.00 H
Ignored bad PDB record found on line 133007
ATOM 2078e H2 WAT X7778 84.588 81.367 117.260 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 20790
Duplicate atom serial number found: 20791
Duplicate atom serial number found: 20792
Duplicate atom serial number found: 20793
Ignored bad PDB record found on line 133013
ATOM 20794 O WAT X777a 66.746 80.833 117.112 0.00 0.00 O
Ignored bad PDB record found on line 133014
ATOM 20795 H1 WAT X777a 66.541 79.985 117.144 0.00 0.00 H
Ignored bad PDB record found on line 133015
ATOM 20796 H2 WAT X777a 67.026 81.007 117.920 0.00 0.00 H
Ignored bad PDB record found on line 133016
ATOM 20797 EPW WAT X777a 66.757 80.733 117.236 0.00 0.00
Ignored bad PDB record found on line 133017
ATOM 20798 O WAT X777b 111.474 53.700 124.212 0.00 0.00 O
103 messages similar to the above omitted
Duplicate atom serial number found: 20800
Duplicate atom serial number found: 20801
Duplicate atom serial number found: 20802
Duplicate atom serial number found: 20803
Duplicate atom serial number found: 20804
5 messages similar to the above omitted
Ignored bad PDB record found on line 133131
ATOM 2080a H2 WAT X7797 85.234 54.035 113.131 0.00 0.00 H
Ignored bad PDB record found on line 133132
ATOM 2080b EPW WAT X7797 85.201 53.735 113.854 0.00 0.00
Ignored bad PDB record found on line 133133
ATOM 2080c O WAT X7798 84.225 36.211 124.584 0.00 0.00 O
Ignored bad PDB record found on line 133134
ATOM 2080d H1 WAT X7798 84.055 36.249 125.439 0.00 0.00 H
Ignored bad PDB record found on line 133135
ATOM 2080e H2 WAT X7798 83.884 36.952 124.274 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 20810
Duplicate atom serial number found: 20811
Duplicate atom serial number found: 20812
Duplicate atom serial number found: 20813
Ignored bad PDB record found on line 133141
ATOM 20814 O WAT X779a 72.608 37.730 115.419 0.00 0.00 O
Ignored bad PDB record found on line 133142
ATOM 20815 H1 WAT X779a 72.538 38.507 115.029 0.00 0.00 H
Ignored bad PDB record found on line 133143
ATOM 20816 H2 WAT X779a 73.126 37.889 116.102 0.00 0.00 H
Ignored bad PDB record found on line 133144
ATOM 20817 EPW WAT X779a 72.674 37.868 115.462 0.00 0.00
Ignored bad PDB record found on line 133145
ATOM 20818 O WAT X779b 53.646 48.489 99.214 0.00 0.00 O
2023 messages similar to the above omitted
Duplicate atom serial number found: 21000
Duplicate atom serial number found: 21001
Duplicate atom serial number found: 21002
Duplicate atom serial number found: 21003
Duplicate atom serial number found: 21004
5 messages similar to the above omitted
Ignored bad PDB record found on line 135179
ATOM 2100a H2 WAT X7997 77.709 68.548 23.365 0.00 0.00 H
Ignored bad PDB record found on line 135180
ATOM 2100b EPW WAT X7997 77.757 69.312 23.533 0.00 0.00
Ignored bad PDB record found on line 135181
ATOM 2100c O WAT X7998 80.774 85.460 6.104 0.00 0.00 O
Ignored bad PDB record found on line 135182
ATOM 2100d H1 WAT X7998 81.491 85.382 5.614 0.00 0.00 H
Ignored bad PDB record found on line 135183
ATOM 2100e H2 WAT X7998 80.673 86.322 6.186 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 21010
Duplicate atom serial number found: 21011
Duplicate atom serial number found: 21012
Duplicate atom serial number found: 21013
Ignored bad PDB record found on line 135189
ATOM 21014 O WAT X799a 95.154 63.017 120.175 0.00 0.00 O
Ignored bad PDB record found on line 135190
ATOM 21015 H1 WAT X799a 94.387 62.611 120.088 0.00 0.00 H
Ignored bad PDB record found on line 135191
ATOM 21016 H2 WAT X799a 95.625 62.710 119.508 0.00 0.00 H
Ignored bad PDB record found on line 135192
ATOM 21017 EPW WAT X799a 95.110 62.912 120.063 0.00 0.00
Ignored bad PDB record found on line 135193
ATOM 21018 O WAT X799b 83.712 59.921 29.648 0.00 0.00 O
8167 messages similar to the above omitted
Duplicate atom serial number found: 23000
Duplicate atom serial number found: 23001
Duplicate atom serial number found: 23002
Duplicate atom serial number found: 23003
Duplicate atom serial number found: 23004
5 messages similar to the above omitted
Ignored bad PDB record found on line 143371
ATOM 2300a H2 WAT X8197 66.326 33.121 40.632 0.00 0.00 H
Ignored bad PDB record found on line 143372
ATOM 2300b EPW WAT X8197 66.928 33.623 40.640 0.00 0.00
Ignored bad PDB record found on line 143373
ATOM 2300c O WAT X8198 85.410 23.620 59.415 0.00 0.00 O
Ignored bad PDB record found on line 143374
ATOM 2300d H1 WAT X8198 85.439 24.157 58.728 0.00 0.00 H
Ignored bad PDB record found on line 143375
ATOM 2300e H2 WAT X8198 84.583 23.344 59.425 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 23010
Duplicate atom serial number found: 23011
Duplicate atom serial number found: 23012
Duplicate atom serial number found: 23013
Ignored bad PDB record found on line 143381
ATOM 23014 O WAT X819a 92.880 45.151 21.091 0.00 0.00 O
Ignored bad PDB record found on line 143382
ATOM 23015 H1 WAT X819a 92.389 45.200 20.372 0.00 0.00 H
Ignored bad PDB record found on line 143383
ATOM 23016 H2 WAT X819a 93.522 44.606 20.864 0.00 0.00 H
Ignored bad PDB record found on line 143384
ATOM 23017 EPW WAT X819a 92.902 45.078 20.952 0.00 0.00
Ignored bad PDB record found on line 143385
ATOM 23018 O WAT X819b 91.198 7.319 72.882 0.00 0.00 O
487 messages similar to the above omitted
Duplicate atom serial number found: 23200
Duplicate atom serial number found: 23201
Duplicate atom serial number found: 23202
Duplicate atom serial number found: 23203
Duplicate atom serial number found: 23204
5 messages similar to the above omitted
Ignored bad PDB record found on line 143883
ATOM 2320a H2 WAT X8217 57.945 19.054 11.434 0.00 0.00 H
Ignored bad PDB record found on line 143884
ATOM 2320b EPW WAT X8217 57.825 19.335 10.712 0.00 0.00
Ignored bad PDB record found on line 143885
ATOM 2320c O WAT X8218 82.587 22.117 23.776 0.00 0.00 O
Ignored bad PDB record found on line 143886
ATOM 2320d H1 WAT X8218 82.699 22.430 24.583 0.00 0.00 H
Ignored bad PDB record found on line 143887
ATOM 2320e H2 WAT X8218 82.970 22.714 23.269 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 23210
Duplicate atom serial number found: 23211
Duplicate atom serial number found: 23212
Duplicate atom serial number found: 23213
Ignored bad PDB record found on line 143893
ATOM 23214 O WAT X821a 93.606 42.307 47.073 0.00 0.00 O
Ignored bad PDB record found on line 143894
ATOM 23215 H1 WAT X821a 93.340 42.460 47.889 0.00 0.00 H
Ignored bad PDB record found on line 143895
ATOM 23216 H2 WAT X821a 94.472 42.401 47.118 0.00 0.00 H
Ignored bad PDB record found on line 143896
ATOM 23217 EPW WAT X821a 93.694 42.343 47.200 0.00 0.00
Ignored bad PDB record found on line 143897
ATOM 23218 O WAT X821b 53.124 10.614 50.270 0.00 0.00 O
23 messages similar to the above omitted
Duplicate atom serial number found: 23230
Duplicate atom serial number found: 23231
Duplicate atom serial number found: 23232
Duplicate atom serial number found: 23233
Duplicate atom serial number found: 23234
5 messages similar to the above omitted
Ignored bad PDB record found on line 143931
ATOM 2323a H2 WAT X8223 119.932 127.017 1.914 0.00 0.00 H
Ignored bad PDB record found on line 143932
ATOM 2323b EPW WAT X8223 119.391 127.505 1.625 0.00 0.00
Ignored bad PDB record found on line 143933
ATOM 2323c O WAT X8224 78.996 33.949 29.915 0.00 0.00 O
Ignored bad PDB record found on line 143934
ATOM 2323d H1 WAT X8224 79.218 34.491 30.562 0.00 0.00 H
Ignored bad PDB record found on line 143935
ATOM 2323e H2 WAT X8224 79.691 33.965 29.387 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 23240
Duplicate atom serial number found: 23241
Duplicate atom serial number found: 23242
Duplicate atom serial number found: 23243
Duplicate atom serial number found: 23244
5 messages similar to the above omitted
Ignored bad PDB record found on line 143947
ATOM 2324a H2 WAT X8227 22.996 19.019 36.886 0.00 0.00 H
Ignored bad PDB record found on line 143948
ATOM 2324b EPW WAT X8227 23.092 19.791 36.792 0.00 0.00
Ignored bad PDB record found on line 143949
ATOM 2324c O WAT X8228 55.564 14.215 35.595 0.00 0.00 O
Ignored bad PDB record found on line 143950
ATOM 2324d H1 WAT X8228 55.603 13.679 34.908 0.00 0.00 H
Ignored bad PDB record found on line 143951
ATOM 2324e H2 WAT X8228 55.957 13.764 36.230 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 23250
Duplicate atom serial number found: 23251
Duplicate atom serial number found: 23252
Duplicate atom serial number found: 23253
Ignored bad PDB record found on line 143957
ATOM 23254 O WAT X822a 70.575 10.729 50.736 0.00 0.00 O
Ignored bad PDB record found on line 143958
ATOM 23255 H1 WAT X822a 70.999 10.687 49.974 0.00 0.00 H
Ignored bad PDB record found on line 143959
ATOM 23256 H2 WAT X822a 70.862 11.474 51.089 0.00 0.00 H
Ignored bad PDB record found on line 143960
ATOM 23257 EPW WAT X822a 70.680 10.833 50.675 0.00 0.00
Ignored bad PDB record found on line 143961
ATOM 23258 O WAT X822b 119.873 32.622 52.521 0.00 0.00 O
23 messages similar to the above omitted
Duplicate atom serial number found: 23270
Duplicate atom serial number found: 23271
Duplicate atom serial number found: 23272
Duplicate atom serial number found: 23273
Duplicate atom serial number found: 23274
5 messages similar to the above omitted
Ignored bad PDB record found on line 143995
ATOM 2327a H2 WAT X8233 113.567 1.346 13.577 0.00 0.00 H
Ignored bad PDB record found on line 143996
ATOM 2327b EPW WAT X8233 114.173 1.633 13.170 0.00 0.00
Ignored bad PDB record found on line 143997
ATOM 2327c O WAT X8234 24.692 25.323 123.855 0.00 0.00 O
Ignored bad PDB record found on line 143998
ATOM 2327d H1 WAT X8234 25.485 24.970 123.947 0.00 0.00 H
Ignored bad PDB record found on line 143999
ATOM 2327e H2 WAT X8234 24.760 26.089 124.267 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 23280
Duplicate atom serial number found: 23281
Duplicate atom serial number found: 23282
Duplicate atom serial number found: 23283
Duplicate atom serial number found: 23284
5 messages similar to the above omitted
Ignored bad PDB record found on line 144011
ATOM 2328a H2 WAT X8237 61.867 16.941 26.379 0.00 0.00 H
Ignored bad PDB record found on line 144012
ATOM 2328b EPW WAT X8237 62.107 17.677 26.503 0.00 0.00
Ignored bad PDB record found on line 144013
ATOM 2328c O WAT X8238 100.541 8.408 29.955 0.00 0.00 O
Ignored bad PDB record found on line 144014
ATOM 2328d H1 WAT X8238 100.618 8.994 29.313 0.00 0.00 H
Ignored bad PDB record found on line 144015
ATOM 2328e H2 WAT X8238 99.679 8.338 30.067 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 23290
Duplicate atom serial number found: 23291
Duplicate atom serial number found: 23292
Duplicate atom serial number found: 23293
Ignored bad PDB record found on line 144021
ATOM 23294 O WAT X823a 56.867 125.567 11.966 0.00 0.00 O
Ignored bad PDB record found on line 144022
ATOM 23295 H1 WAT X823a 57.242 125.848 11.230 0.00 0.00 H
Ignored bad PDB record found on line 144023
ATOM 23296 H2 WAT X823a 56.219 125.055 11.683 0.00 0.00 H
Ignored bad PDB record found on line 144024
ATOM 23297 EPW WAT X823a 56.827 125.533 11.816 0.00 0.00
Ignored bad PDB record found on line 144025
ATOM 23298 O WAT X823b 71.517 13.361 37.181 0.00 0.00 O
103 messages similar to the above omitted
Duplicate atom serial number found: 23300
Duplicate atom serial number found: 23301
Duplicate atom serial number found: 23302
Duplicate atom serial number found: 23303
Duplicate atom serial number found: 23304
5 messages similar to the above omitted
Ignored bad PDB record found on line 144139
ATOM 2330a H2 WAT X8257 84.469 38.339 5.785 0.00 0.00 H
Ignored bad PDB record found on line 144140
ATOM 2330b EPW WAT X8257 84.889 38.753 6.301 0.00 0.00
Ignored bad PDB record found on line 144141
ATOM 2330c O WAT X8258 77.907 11.124 120.944 0.00 0.00 O
Ignored bad PDB record found on line 144142
ATOM 2330d H1 WAT X8258 77.624 10.410 121.359 0.00 0.00 H
Ignored bad PDB record found on line 144143
ATOM 2330e H2 WAT X8258 77.760 10.944 120.103 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 23310
Duplicate atom serial number found: 23311
Duplicate atom serial number found: 23312
Duplicate atom serial number found: 23313
Ignored bad PDB record found on line 144149
ATOM 23314 O WAT X825a 66.025 40.483 20.630 0.00 0.00 O
Ignored bad PDB record found on line 144150
ATOM 23315 H1 WAT X825a 65.192 40.221 20.625 0.00 0.00 H
Ignored bad PDB record found on line 144151
ATOM 23316 H2 WAT X825a 66.452 39.814 20.267 0.00 0.00 H
Ignored bad PDB record found on line 144152
ATOM 23317 EPW WAT X825a 65.965 40.345 20.576 0.00 0.00
Ignored bad PDB record found on line 144153
ATOM 23318 O WAT X825b 58.229 21.502 22.577 0.00 0.00 O
23 messages similar to the above omitted
Duplicate atom serial number found: 23330
Duplicate atom serial number found: 23331
Duplicate atom serial number found: 23332
Duplicate atom serial number found: 23333
Duplicate atom serial number found: 23334
5 messages similar to the above omitted
Ignored bad PDB record found on line 144187
ATOM 2333a H2 WAT X8263 83.201 13.452 7.103 0.00 0.00 H
Ignored bad PDB record found on line 144188
ATOM 2333b EPW WAT X8263 82.555 13.356 6.668 0.00 0.00
Ignored bad PDB record found on line 144189
ATOM 2333c O WAT X8264 95.385 8.258 55.764 0.00 0.00 O
Ignored bad PDB record found on line 144190
ATOM 2333d H1 WAT X8264 94.824 7.661 56.063 0.00 0.00 H
Ignored bad PDB record found on line 144191
ATOM 2333e H2 WAT X8264 94.880 8.803 55.307 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 23340
Duplicate atom serial number found: 23341
Duplicate atom serial number found: 23342
Duplicate atom serial number found: 23343
Duplicate atom serial number found: 23344
5 messages similar to the above omitted
Ignored bad PDB record found on line 144203
ATOM 2334a H2 WAT X8267 96.613 110.503 13.273 0.00 0.00 H
Ignored bad PDB record found on line 144204
ATOM 2334b EPW WAT X8267 95.840 110.375 13.290 0.00 0.00
Ignored bad PDB record found on line 144205
ATOM 2334c O WAT X8268 70.450 2.001 29.843 0.00 0.00 O
Ignored bad PDB record found on line 144206
ATOM 2334d H1 WAT X8268 70.788 1.750 30.607 0.00 0.00 H
Ignored bad PDB record found on line 144207
ATOM 2334e H2 WAT X8268 70.909 2.714 29.640 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 23350
Duplicate atom serial number found: 23351
Duplicate atom serial number found: 23352
Duplicate atom serial number found: 23353
Ignored bad PDB record found on line 144213
ATOM 23354 O WAT X826a 62.532 32.808 15.043 0.00 0.00 O
Ignored bad PDB record found on line 144214
ATOM 23355 H1 WAT X826a 62.277 33.030 14.239 0.00 0.00 H
Ignored bad PDB record found on line 144215
ATOM 23356 H2 WAT X826a 62.391 33.532 15.510 0.00 0.00 H
Ignored bad PDB record found on line 144216
ATOM 23357 EPW WAT X826a 62.473 32.948 14.993 0.00 0.00
Ignored bad PDB record found on line 144217
ATOM 23358 O WAT X826b 109.477 50.246 56.595 0.00 0.00 O
23 messages similar to the above omitted
Duplicate atom serial number found: 23370
Duplicate atom serial number found: 23371
Duplicate atom serial number found: 23372
Duplicate atom serial number found: 23373
Duplicate atom serial number found: 23374
5 messages similar to the above omitted
Ignored bad PDB record found on line 144251
ATOM 2337a H2 WAT X8273 80.058 26.376 49.697 0.00 0.00 H
Ignored bad PDB record found on line 144252
ATOM 2337b EPW WAT X8273 79.282 26.319 49.789 0.00 0.00
Ignored bad PDB record found on line 144253
ATOM 2337c O WAT X8274 50.784 51.889 28.566 0.00 0.00 O
Ignored bad PDB record found on line 144254
ATOM 2337d H1 WAT X8274 50.414 51.927 27.777 0.00 0.00 H
Ignored bad PDB record found on line 144255
ATOM 2337e H2 WAT X8274 51.025 52.714 28.719 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 23380
Duplicate atom serial number found: 23381
Duplicate atom serial number found: 23382
Duplicate atom serial number found: 23383
Duplicate atom serial number found: 23384
5 messages similar to the above omitted
Ignored bad PDB record found on line 144267
ATOM 2338a H2 WAT X8277 68.401 11.505 37.264 0.00 0.00 H
Ignored bad PDB record found on line 144268
ATOM 2338b EPW WAT X8277 67.625 11.415 37.331 0.00 0.00
Ignored bad PDB record found on line 144269
ATOM 2338c O WAT X8278 74.578 37.957 45.569 0.00 0.00 O
Ignored bad PDB record found on line 144270
ATOM 2338d H1 WAT X8278 75.386 37.819 45.867 0.00 0.00 H
Ignored bad PDB record found on line 144271
ATOM 2338e H2 WAT X8278 74.493 37.371 44.928 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 23390
Duplicate atom serial number found: 23391
Duplicate atom serial number found: 23392
Duplicate atom serial number found: 23393
Ignored bad PDB record found on line 144277
ATOM 23394 O WAT X827a 64.511 16.830 51.483 0.00 0.00 O
Ignored bad PDB record found on line 144278
ATOM 23395 H1 WAT X827a 63.742 17.012 51.114 0.00 0.00 H
Ignored bad PDB record found on line 144279
ATOM 23396 H2 WAT X827a 64.294 16.370 52.192 0.00 0.00 H
Ignored bad PDB record found on line 144280
ATOM 23397 EPW WAT X827a 64.365 16.789 51.533 0.00 0.00
Ignored bad PDB record found on line 144281
ATOM 23398 O WAT X827b 59.822 17.353 28.468 0.00 0.00 O
103 messages similar to the above omitted
Duplicate atom serial number found: 23400
Duplicate atom serial number found: 23401
Duplicate atom serial number found: 23402
Duplicate atom serial number found: 23403
Duplicate atom serial number found: 23404
5 messages similar to the above omitted
Ignored bad PDB record found on line 144395
ATOM 2340a H2 WAT X8297 80.026 12.418 20.448 0.00 0.00 H
Ignored bad PDB record found on line 144396
ATOM 2340b EPW WAT X8297 79.698 13.033 20.089 0.00 0.00
Ignored bad PDB record found on line 144397
ATOM 2340c O WAT X8298 70.475 12.233 24.042 0.00 0.00 O
Ignored bad PDB record found on line 144398
ATOM 2340d H1 WAT X8298 69.919 12.567 24.625 0.00 0.00 H
Ignored bad PDB record found on line 144399
ATOM 2340e H2 WAT X8298 70.988 12.908 23.838 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 23410
Duplicate atom serial number found: 23411
Duplicate atom serial number found: 23412
Duplicate atom serial number found: 23413
Ignored bad PDB record found on line 144405
ATOM 23414 O WAT X829a 29.315 10.826 29.008 0.00 0.00 O
Ignored bad PDB record found on line 144406
ATOM 23415 H1 WAT X829a 29.997 10.404 29.353 0.00 0.00 H
Ignored bad PDB record found on line 144407
ATOM 23416 H2 WAT X829a 29.516 10.882 28.161 0.00 0.00 H
Ignored bad PDB record found on line 144408
ATOM 23417 EPW WAT X829a 29.446 10.772 28.933 0.00 0.00
Ignored bad PDB record found on line 144409
ATOM 23418 O WAT X829b 40.316 7.308 80.815 0.00 0.00 O
487 messages similar to the above omitted
Duplicate atom serial number found: 23600
Duplicate atom serial number found: 23601
Duplicate atom serial number found: 23602
Duplicate atom serial number found: 23603
Duplicate atom serial number found: 23604
5 messages similar to the above omitted
Ignored bad PDB record found on line 144907
ATOM 2360a H2 WAT X8317 83.002 20.837 3.263 0.00 0.00 H
Ignored bad PDB record found on line 144908
ATOM 2360b EPW WAT X8317 83.780 20.810 3.356 0.00 0.00
Ignored bad PDB record found on line 144909
ATOM 2360c O WAT X8318 39.612 7.740 24.141 0.00 0.00 O
Ignored bad PDB record found on line 144910
ATOM 2360d H1 WAT X8318 39.759 8.285 23.476 0.00 0.00 H
Ignored bad PDB record found on line 144911
ATOM 2360e H2 WAT X8318 39.553 6.959 23.757 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 23610
Duplicate atom serial number found: 23611
Duplicate atom serial number found: 23612
Duplicate atom serial number found: 23613
Ignored bad PDB record found on line 144917
ATOM 23614 O WAT X831a 48.049 12.365 37.833 0.00 0.00 O
Ignored bad PDB record found on line 144918
ATOM 23615 H1 WAT X831a 48.515 12.404 38.570 0.00 0.00 H
Ignored bad PDB record found on line 144919
ATOM 23616 H2 WAT X831a 48.535 12.807 37.259 0.00 0.00 H
Ignored bad PDB record found on line 144920
ATOM 23617 EPW WAT X831a 48.189 12.436 37.857 0.00 0.00
Ignored bad PDB record found on line 144921
ATOM 23618 O WAT X831b 113.306 37.851 112.785 0.00 0.00 O
23 messages similar to the above omitted
Duplicate atom serial number found: 23630
Duplicate atom serial number found: 23631
Duplicate atom serial number found: 23632
Duplicate atom serial number found: 23633
Duplicate atom serial number found: 23634
5 messages similar to the above omitted
Ignored bad PDB record found on line 144955
ATOM 2363a H2 WAT X8323 73.227 2.341 127.999 0.00 0.00 H
Ignored bad PDB record found on line 144956
ATOM 2363b EPW WAT X8323 73.717 2.249 128.604 0.00 0.00
Ignored bad PDB record found on line 144957
ATOM 2363c O WAT X8324 85.029 2.214 15.043 0.00 0.00 O
Ignored bad PDB record found on line 144958
ATOM 2363d H1 WAT X8324 84.160 2.179 15.116 0.00 0.00 H
Ignored bad PDB record found on line 144959
ATOM 2363e H2 WAT X8324 85.287 1.418 15.287 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 23640
Duplicate atom serial number found: 23641
Duplicate atom serial number found: 23642
Duplicate atom serial number found: 23643
Duplicate atom serial number found: 23644
5 messages similar to the above omitted
Ignored bad PDB record found on line 144971
ATOM 2364a H2 WAT X8327 82.535 24.647 5.656 0.00 0.00 H
Ignored bad PDB record found on line 144972
ATOM 2364b EPW WAT X8327 83.247 24.902 5.447 0.00 0.00
Ignored bad PDB record found on line 144973
ATOM 2364c O WAT X8328 75.263 125.963 126.893 0.00 0.00 O
Ignored bad PDB record found on line 144974
ATOM 2364d H1 WAT X8328 75.534 126.736 126.593 0.00 0.00 H
Ignored bad PDB record found on line 144975
ATOM 2364e H2 WAT X8328 74.786 126.171 127.594 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 23650
Duplicate atom serial number found: 23651
Duplicate atom serial number found: 23652
Duplicate atom serial number found: 23653
Ignored bad PDB record found on line 144981
ATOM 23654 O WAT X832a 97.583 10.291 44.010 0.00 0.00 O
Ignored bad PDB record found on line 144982
ATOM 23655 H1 WAT X832a 98.348 10.371 44.422 0.00 0.00 H
Ignored bad PDB record found on line 144983
ATOM 23656 H2 WAT X832a 97.658 9.535 43.581 0.00 0.00 H
Ignored bad PDB record found on line 144984
ATOM 23657 EPW WAT X832a 97.707 10.191 44.008 0.00 0.00
Ignored bad PDB record found on line 144985
ATOM 23658 O WAT X832b 46.744 9.007 116.502 0.00 0.00 O
23 messages similar to the above omitted
Duplicate atom serial number found: 23670
Duplicate atom serial number found: 23671
Duplicate atom serial number found: 23672
Duplicate atom serial number found: 23673
Duplicate atom serial number found: 23674
5 messages similar to the above omitted
Ignored bad PDB record found on line 145019
ATOM 2367a H2 WAT X8333 70.094 125.334 10.452 0.00 0.00 H
Ignored bad PDB record found on line 145020
ATOM 2367b EPW WAT X8333 69.664 124.820 10.045 0.00 0.00
Ignored bad PDB record found on line 145021
ATOM 2367c O WAT X8334 58.798 126.505 21.021 0.00 0.00 O
Ignored bad PDB record found on line 145022
ATOM 2367d H1 WAT X8334 58.228 127.133 21.225 0.00 0.00 H
Ignored bad PDB record found on line 145023
ATOM 2367e H2 WAT X8334 58.877 126.573 20.155 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 23680
Duplicate atom serial number found: 23681
Duplicate atom serial number found: 23682
Duplicate atom serial number found: 23683
Duplicate atom serial number found: 23684
5 messages similar to the above omitted
Ignored bad PDB record found on line 145035
ATOM 2368a H2 WAT X8337 77.728 4.439 23.055 0.00 0.00 H
Ignored bad PDB record found on line 145036
ATOM 2368b EPW WAT X8337 78.496 4.594 23.088 0.00 0.00
Ignored bad PDB record found on line 145037
ATOM 2368c O WAT X8338 81.715 127.525 19.797 0.00 0.00 O
Ignored bad PDB record found on line 145038
ATOM 2368d H1 WAT X8338 81.858 126.909 20.399 0.00 0.00 H
Ignored bad PDB record found on line 145039
ATOM 2368e H2 WAT X8338 82.442 128.007 19.820 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 23690
Duplicate atom serial number found: 23691
Duplicate atom serial number found: 23692
Duplicate atom serial number found: 23693
Ignored bad PDB record found on line 145045
ATOM 23694 O WAT X833a 53.824 17.210 32.271 0.00 0.00 O
Ignored bad PDB record found on line 145046
ATOM 23695 H1 WAT X833a 53.464 16.415 32.243 0.00 0.00 H
Ignored bad PDB record found on line 145047
ATOM 23696 H2 WAT X833a 54.633 17.058 32.562 0.00 0.00 H
Ignored bad PDB record found on line 145048
ATOM 23697 EPW WAT X833a 53.890 17.070 32.310 0.00 0.00
Ignored bad PDB record found on line 145049
ATOM 23698 O WAT X833b 56.307 10.950 16.370 0.00 0.00 O
103 messages similar to the above omitted
Duplicate atom serial number found: 23700
Duplicate atom serial number found: 23701
Duplicate atom serial number found: 23702
Duplicate atom serial number found: 23703
Duplicate atom serial number found: 23704
5 messages similar to the above omitted
Ignored bad PDB record found on line 145163
ATOM 2370a H2 WAT X8357 80.886 21.073 10.904 0.00 0.00 H
Ignored bad PDB record found on line 145164
ATOM 2370b EPW WAT X8357 80.243 21.463 10.684 0.00 0.00
Ignored bad PDB record found on line 145165
ATOM 2370c O WAT X8358 58.856 9.961 8.892 0.00 0.00 O
Ignored bad PDB record found on line 145166
ATOM 2370d H1 WAT X8358 58.582 9.228 8.506 0.00 0.00 H
Ignored bad PDB record found on line 145167
ATOM 2370e H2 WAT X8358 59.121 9.692 9.679 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 23710
Duplicate atom serial number found: 23711
Duplicate atom serial number found: 23712
Duplicate atom serial number found: 23713
Ignored bad PDB record found on line 145173
ATOM 23714 O WAT X835a 101.165 13.282 116.776 0.00 0.00 O
Ignored bad PDB record found on line 145174
ATOM 23715 H1 WAT X835a 101.722 13.475 116.133 0.00 0.00 H
Ignored bad PDB record found on line 145175
ATOM 23716 H2 WAT X835a 100.787 12.544 116.505 0.00 0.00 H
Ignored bad PDB record found on line 145176
ATOM 23717 EPW WAT X835a 101.191 13.202 116.641 0.00 0.00
Ignored bad PDB record found on line 145177
ATOM 23718 O WAT X835b 112.135 25.879 114.138 0.00 0.00 O
23 messages similar to the above omitted
Duplicate atom serial number found: 23730
Duplicate atom serial number found: 23731
Duplicate atom serial number found: 23732
Duplicate atom serial number found: 23733
Duplicate atom serial number found: 23734
5 messages similar to the above omitted
Ignored bad PDB record found on line 145211
ATOM 2373a H2 WAT X8363 94.194 3.555 123.987 0.00 0.00 H
Ignored bad PDB record found on line 145212
ATOM 2373b EPW WAT X8363 94.006 3.258 123.286 0.00 0.00
Ignored bad PDB record found on line 145213
ATOM 2373c O WAT X8364 83.943 10.811 3.329 0.00 0.00 O
Ignored bad PDB record found on line 145214
ATOM 2373d H1 WAT X8364 84.412 11.283 2.763 0.00 0.00 H
Ignored bad PDB record found on line 145215
ATOM 2373e H2 WAT X8364 84.520 10.238 3.645 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 23740
Duplicate atom serial number found: 23741
Duplicate atom serial number found: 23742
Duplicate atom serial number found: 23743
Duplicate atom serial number found: 23744
5 messages similar to the above omitted
Ignored bad PDB record found on line 145227
ATOM 2374a H2 WAT X8367 49.449 32.428 22.634 0.00 0.00 H
Ignored bad PDB record found on line 145228
ATOM 2374b EPW WAT X8367 49.717 33.011 22.183 0.00 0.00
Ignored bad PDB record found on line 145229
ATOM 2374c O WAT X8368 58.503 32.934 0.000 0.00 0.00 O
Ignored bad PDB record found on line 145230
ATOM 2374d H1 WAT X8368 58.408 33.034 0.862 0.00 0.00 H
Ignored bad PDB record found on line 145231
ATOM 2374e H2 WAT X8368 59.354 32.765 -0.094 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 23750
Duplicate atom serial number found: 23751
Duplicate atom serial number found: 23752
Duplicate atom serial number found: 23753
Ignored bad PDB record found on line 145237
ATOM 23754 O WAT X836a 106.624 30.917 1.037 0.00 0.00 O
Ignored bad PDB record found on line 145238
ATOM 23755 H1 WAT X836a 107.193 30.692 0.415 0.00 0.00 H
Ignored bad PDB record found on line 145239
ATOM 23756 H2 WAT X836a 106.845 30.409 1.710 0.00 0.00 H
Ignored bad PDB record found on line 145240
ATOM 23757 EPW WAT X836a 106.741 30.809 1.044 0.00 0.00
Ignored bad PDB record found on line 145241
ATOM 23758 O WAT X836b 77.375 13.655 18.305 0.00 0.00 O
23 messages similar to the above omitted
Duplicate atom serial number found: 23770
Duplicate atom serial number found: 23771
Duplicate atom serial number found: 23772
Duplicate atom serial number found: 23773
Duplicate atom serial number found: 23774
5 messages similar to the above omitted
Ignored bad PDB record found on line 145275
ATOM 2377a H2 WAT X8373 2.095 30.938 43.294 0.00 0.00 H
Ignored bad PDB record found on line 145276
ATOM 2377b EPW WAT X8373 2.848 30.723 43.254 0.00 0.00
Ignored bad PDB record found on line 145277
ATOM 2377c O WAT X8374 46.869 50.397 20.018 0.00 0.00 O
Ignored bad PDB record found on line 145278
ATOM 2377d H1 WAT X8374 47.181 49.839 20.611 0.00 0.00 H
Ignored bad PDB record found on line 145279
ATOM 2377e H2 WAT X8374 47.252 50.144 19.277 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 23780
Duplicate atom serial number found: 23781
Duplicate atom serial number found: 23782
Duplicate atom serial number found: 23783
Duplicate atom serial number found: 23784
5 messages similar to the above omitted
Ignored bad PDB record found on line 145291
ATOM 2378a H2 WAT X8377 79.368 34.979 101.618 0.00 0.00 H
Ignored bad PDB record found on line 145292
ATOM 2378b EPW WAT X8377 79.696 35.638 101.889 0.00 0.00
Ignored bad PDB record found on line 145293
ATOM 2378c O WAT X8378 38.939 37.266 23.507 0.00 0.00 O
Ignored bad PDB record found on line 145294
ATOM 2378d H1 WAT X8378 39.449 37.766 24.008 0.00 0.00 H
Ignored bad PDB record found on line 145295
ATOM 2378e H2 WAT X8378 39.317 37.310 22.721 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 23790
Duplicate atom serial number found: 23791
Duplicate atom serial number found: 23792
Duplicate atom serial number found: 23793
Ignored bad PDB record found on line 145301
ATOM 23794 O WAT X837a 69.279 28.023 26.822 0.00 0.00 O
Ignored bad PDB record found on line 145302
ATOM 23795 H1 WAT X837a 70.065 27.993 27.201 0.00 0.00 H
Ignored bad PDB record found on line 145303
ATOM 23796 H2 WAT X837a 69.121 27.191 26.614 0.00 0.00 H
Ignored bad PDB record found on line 145304
ATOM 23797 EPW WAT X837a 69.372 27.896 26.847 0.00 0.00
Ignored bad PDB record found on line 145305
ATOM 23798 O WAT X837b 58.253 6.342 14.499 0.00 0.00 O
103 messages similar to the above omitted
Duplicate atom serial number found: 23800
Duplicate atom serial number found: 23801
Duplicate atom serial number found: 23802
Duplicate atom serial number found: 23803
Duplicate atom serial number found: 23804
5 messages similar to the above omitted
Ignored bad PDB record found on line 145419
ATOM 2380a H2 WAT X8397 61.789 27.543 33.471 0.00 0.00 H
Ignored bad PDB record found on line 145420
ATOM 2380b EPW WAT X8397 61.259 27.482 34.045 0.00 0.00
Ignored bad PDB record found on line 145421
ATOM 2380c O WAT X8398 52.921 44.397 26.097 0.00 0.00 O
Ignored bad PDB record found on line 145422
ATOM 2380d H1 WAT X8398 52.136 44.764 25.998 0.00 0.00 H
Ignored bad PDB record found on line 145423
ATOM 2380e H2 WAT X8398 53.406 45.039 26.433 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 23810
Duplicate atom serial number found: 23811
Duplicate atom serial number found: 23812
Duplicate atom serial number found: 23813
Ignored bad PDB record found on line 145429
ATOM 23814 O WAT X839a 50.392 31.410 8.629 0.00 0.00 O
Ignored bad PDB record found on line 145430
ATOM 23815 H1 WAT X839a 50.611 32.211 8.359 0.00 0.00 H
Ignored bad PDB record found on line 145431
ATOM 23816 H2 WAT X839a 50.512 31.444 9.492 0.00 0.00 H
Ignored bad PDB record found on line 145432
ATOM 23817 EPW WAT X839a 50.442 31.533 8.716 0.00 0.00
Ignored bad PDB record found on line 145433
ATOM 23818 O WAT X839b 75.215 35.335 8.175 0.00 0.00 O
2023 messages similar to the above omitted
Duplicate atom serial number found: 24000
Duplicate atom serial number found: 24001
Duplicate atom serial number found: 24002
Duplicate atom serial number found: 24003
Duplicate atom serial number found: 24004
5 messages similar to the above omitted
Ignored bad PDB record found on line 147467
ATOM 2400a H2 WAT X8597 59.238 3.672 25.534 0.00 0.00 H
Ignored bad PDB record found on line 147468
ATOM 2400b EPW WAT X8597 58.691 3.610 24.976 0.00 0.00
Ignored bad PDB record found on line 147469
ATOM 2400c O WAT X8598 42.349 6.855 49.980 0.00 0.00 O
Ignored bad PDB record found on line 147470
ATOM 2400d H1 WAT X8598 42.944 6.772 50.612 0.00 0.00 H
Ignored bad PDB record found on line 147471
ATOM 2400e H2 WAT X8598 42.769 6.579 49.266 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 24010
Duplicate atom serial number found: 24011
Duplicate atom serial number found: 24012
Duplicate atom serial number found: 24013
Ignored bad PDB record found on line 147477
ATOM 24014 O WAT X859a 50.664 25.638 33.638 0.00 0.00 O
Ignored bad PDB record found on line 147478
ATOM 24015 H1 WAT X859a 51.382 26.127 33.556 0.00 0.00 H
Ignored bad PDB record found on line 147479
ATOM 24016 H2 WAT X859a 50.580 25.264 32.854 0.00 0.00 H
Ignored bad PDB record found on line 147480
ATOM 24017 EPW WAT X859a 50.758 25.655 33.510 0.00 0.00
Ignored bad PDB record found on line 147481
ATOM 24018 O WAT X859b 82.791 104.796 31.711 0.00 0.00 O
487 messages similar to the above omitted
Duplicate atom serial number found: 24200
Duplicate atom serial number found: 24201
Duplicate atom serial number found: 24202
Duplicate atom serial number found: 24203
Duplicate atom serial number found: 24204
5 messages similar to the above omitted
Ignored bad PDB record found on line 147979
ATOM 2420a H2 WAT X8617 75.379 102.688 9.528 0.00 0.00 H
Ignored bad PDB record found on line 147980
ATOM 2420b EPW WAT X8617 75.504 102.956 8.802 0.00 0.00
Ignored bad PDB record found on line 147981
ATOM 2420c O WAT X8618 34.352 30.550 56.127 0.00 0.00 O
Ignored bad PDB record found on line 147982
ATOM 2420d H1 WAT X8618 34.451 31.346 56.470 0.00 0.00 H
Ignored bad PDB record found on line 147983
ATOM 2420e H2 WAT X8618 34.340 30.026 56.824 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 24210
Duplicate atom serial number found: 24211
Duplicate atom serial number found: 24212
Duplicate atom serial number found: 24213
Ignored bad PDB record found on line 147989
ATOM 24214 O WAT X861a 78.141 106.813 20.158 0.00 0.00 O
Ignored bad PDB record found on line 147990
ATOM 24215 H1 WAT X861a 77.446 106.860 20.683 0.00 0.00 H
Ignored bad PDB record found on line 147991
ATOM 24216 H2 WAT X861a 78.425 105.995 20.267 0.00 0.00 H
Ignored bad PDB record found on line 147992
ATOM 24217 EPW WAT X861a 78.080 106.699 20.252 0.00 0.00
Ignored bad PDB record found on line 147993
ATOM 24218 O WAT X861b 98.024 27.057 52.953 0.00 0.00 O
23 messages similar to the above omitted
Duplicate atom serial number found: 24230
Duplicate atom serial number found: 24231
Duplicate atom serial number found: 24232
Duplicate atom serial number found: 24233
Duplicate atom serial number found: 24234
5 messages similar to the above omitted
Ignored bad PDB record found on line 148027
ATOM 2423a H2 WAT X8623 59.075 24.509 29.004 0.00 0.00 H
Ignored bad PDB record found on line 148028
ATOM 2423b EPW WAT X8623 58.722 25.004 28.508 0.00 0.00
Ignored bad PDB record found on line 148029
ATOM 2423c O WAT X8624 72.976 114.907 42.157 0.00 0.00 O
Ignored bad PDB record found on line 148030
ATOM 2423d H1 WAT X8624 72.762 114.449 42.868 0.00 0.00 H
Ignored bad PDB record found on line 148031
ATOM 2423e H2 WAT X8624 72.346 114.707 41.587 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 24240
Duplicate atom serial number found: 24241
Duplicate atom serial number found: 24242
Duplicate atom serial number found: 24243
Duplicate atom serial number found: 24244
5 messages similar to the above omitted
Ignored bad PDB record found on line 148043
ATOM 2424a H2 WAT X8627 82.535 29.838 21.603 0.00 0.00 H
Ignored bad PDB record found on line 148044
ATOM 2424b EPW WAT X8627 82.430 29.260 22.122 0.00 0.00
Ignored bad PDB record found on line 148045
ATOM 2424c O WAT X8628 91.593 125.167 6.335 0.00 0.00 O
Ignored bad PDB record found on line 148046
ATOM 2424d H1 WAT X8628 91.729 125.683 5.645 0.00 0.00 H
Ignored bad PDB record found on line 148047
ATOM 2424e H2 WAT X8628 91.809 125.671 7.014 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 24250
Duplicate atom serial number found: 24251
Duplicate atom serial number found: 24252
Duplicate atom serial number found: 24253
Ignored bad PDB record found on line 148053
ATOM 24254 O WAT X862a 99.685 5.817 20.076 0.00 0.00 O
Ignored bad PDB record found on line 148054
ATOM 24255 H1 WAT X862a 99.494 6.250 20.809 0.00 0.00 H
Ignored bad PDB record found on line 148055
ATOM 24256 H2 WAT X862a 99.673 6.437 19.463 0.00 0.00 H
Ignored bad PDB record found on line 148056
ATOM 24257 EPW WAT X862a 99.655 5.973 20.094 0.00 0.00
Ignored bad PDB record found on line 148057
ATOM 24258 O WAT X862b 78.753 23.235 19.983 0.00 0.00 O
23 messages similar to the above omitted
Duplicate atom serial number found: 24270
Duplicate atom serial number found: 24271
Duplicate atom serial number found: 24272
Duplicate atom serial number found: 24273
Duplicate atom serial number found: 24274
5 messages similar to the above omitted
Ignored bad PDB record found on line 148091
ATOM 2427a H2 WAT X8633 77.739 22.321 40.873 0.00 0.00 H
Ignored bad PDB record found on line 148092
ATOM 2427b EPW WAT X8633 77.812 21.711 41.360 0.00 0.00
Ignored bad PDB record found on line 148093
ATOM 2427c O WAT X8634 61.525 12.067 53.930 0.00 0.00 O
Ignored bad PDB record found on line 148094
ATOM 2427d H1 WAT X8634 60.713 11.908 54.209 0.00 0.00 H
Ignored bad PDB record found on line 148095
ATOM 2427e H2 WAT X8634 61.415 12.670 53.310 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 24280
Duplicate atom serial number found: 24281
Duplicate atom serial number found: 24282
Duplicate atom serial number found: 24283
Duplicate atom serial number found: 24284
5 messages similar to the above omitted
Ignored bad PDB record found on line 148107
ATOM 2428a H2 WAT X8637 85.449 7.797 41.614 0.00 0.00 H
Ignored bad PDB record found on line 148108
ATOM 2428b EPW WAT X8637 84.950 8.165 41.135 0.00 0.00
Ignored bad PDB record found on line 148109
ATOM 2428c O WAT X8638 56.553 117.579 24.434 0.00 0.00 O
Ignored bad PDB record found on line 148110
ATOM 2428d H1 WAT X8638 56.664 117.362 25.272 0.00 0.00 H
Ignored bad PDB record found on line 148111
ATOM 2428e H2 WAT X8638 57.340 117.867 24.191 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 24290
Duplicate atom serial number found: 24291
Duplicate atom serial number found: 24292
Duplicate atom serial number found: 24293
Ignored bad PDB record found on line 148117
ATOM 24294 O WAT X863a 81.937 128.834 9.543 0.00 0.00 O
Ignored bad PDB record found on line 148118
ATOM 24295 H1 WAT X863a 82.459 128.182 9.795 0.00 0.00 H
Ignored bad PDB record found on line 148119
ATOM 24296 H2 WAT X863a 82.491 129.431 9.230 0.00 0.00 H
Ignored bad PDB record found on line 148120
ATOM 24297 EPW WAT X863a 82.096 128.826 9.534 0.00 0.00
Ignored bad PDB record found on line 148121
ATOM 24298 O WAT X863b 106.475 6.868 23.234 0.00 0.00 O
103 messages similar to the above omitted
Duplicate atom serial number found: 24300
Duplicate atom serial number found: 24301
Duplicate atom serial number found: 24302
Duplicate atom serial number found: 24303
Duplicate atom serial number found: 24304
5 messages similar to the above omitted
Ignored bad PDB record found on line 148235
ATOM 2430a H2 WAT X8657 74.487 17.689 8.741 0.00 0.00 H
Ignored bad PDB record found on line 148236
ATOM 2430b EPW WAT X8657 75.152 17.889 9.103 0.00 0.00
Ignored bad PDB record found on line 148237
ATOM 2430c O WAT X8658 47.259 113.235 28.847 0.00 0.00 O
Ignored bad PDB record found on line 148238
ATOM 2430d H1 WAT X8658 47.554 112.804 29.546 0.00 0.00 H
Ignored bad PDB record found on line 148239
ATOM 2430e H2 WAT X8658 46.394 113.123 28.887 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 24310
Duplicate atom serial number found: 24311
Duplicate atom serial number found: 24312
Duplicate atom serial number found: 24313
Ignored bad PDB record found on line 148245
ATOM 24314 O WAT X865a 39.401 4.566 34.388 0.00 0.00 O
Ignored bad PDB record found on line 148246
ATOM 24315 H1 WAT X865a 39.574 5.363 34.698 0.00 0.00 H
Ignored bad PDB record found on line 148247
ATOM 24316 H2 WAT X865a 39.217 4.708 33.547 0.00 0.00 H
Ignored bad PDB record found on line 148248
ATOM 24317 EPW WAT X865a 39.399 4.705 34.310 0.00 0.00
Ignored bad PDB record found on line 148249
ATOM 24318 O WAT X865b 42.556 7.825 29.562 0.00 0.00 O
23 messages similar to the above omitted
Duplicate atom serial number found: 24330
Duplicate atom serial number found: 24331
Duplicate atom serial number found: 24332
Duplicate atom serial number found: 24333
Duplicate atom serial number found: 24334
5 messages similar to the above omitted
Ignored bad PDB record found on line 148283
ATOM 2433a H2 WAT X8663 65.542 28.397 15.832 0.00 0.00 H
Ignored bad PDB record found on line 148284
ATOM 2433b EPW WAT X8663 64.856 28.217 15.497 0.00 0.00
Ignored bad PDB record found on line 148285
ATOM 2433c O WAT X8664 60.359 116.302 39.836 0.00 0.00 O
Ignored bad PDB record found on line 148286
ATOM 2433d H1 WAT X8664 59.565 116.286 40.199 0.00 0.00 H
Ignored bad PDB record found on line 148287
ATOM 2433e H2 WAT X8664 60.261 115.833 39.108 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 24340
Duplicate atom serial number found: 24341
Duplicate atom serial number found: 24342
Duplicate atom serial number found: 24343
Duplicate atom serial number found: 24344
5 messages similar to the above omitted
Ignored bad PDB record found on line 148299
ATOM 2434a H2 WAT X8667 72.675 28.000 11.544 0.00 0.00 H
Ignored bad PDB record found on line 148300
ATOM 2434b EPW WAT X8667 72.534 27.808 10.796 0.00 0.00
Ignored bad PDB record found on line 148301
ATOM 2434c O WAT X8668 55.437 13.147 32.489 0.00 0.00 O
Ignored bad PDB record found on line 148302
ATOM 2434d H1 WAT X8668 55.681 13.960 32.689 0.00 0.00 H
Ignored bad PDB record found on line 148303
ATOM 2434e H2 WAT X8668 54.761 13.262 31.950 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 24350
Duplicate atom serial number found: 24351
Duplicate atom serial number found: 24352
Duplicate atom serial number found: 24353
Ignored bad PDB record found on line 148309
ATOM 24354 O WAT X866a 92.039 9.690 0.342 0.00 0.00 O
Ignored bad PDB record found on line 148310
ATOM 24355 H1 WAT X866a 92.546 9.200 -0.172 0.00 0.00 H
Ignored bad PDB record found on line 148311
ATOM 24356 H2 WAT X866a 92.228 9.409 1.146 0.00 0.00 H
Ignored bad PDB record found on line 148312
ATOM 24357 EPW WAT X866a 92.142 9.576 0.385 0.00 0.00
Ignored bad PDB record found on line 148313
ATOM 24358 O WAT X866b 81.184 124.514 43.692 0.00 0.00 O
23 messages similar to the above omitted
Duplicate atom serial number found: 24370
Duplicate atom serial number found: 24371
Duplicate atom serial number found: 24372
Duplicate atom serial number found: 24373
Duplicate atom serial number found: 24374
5 messages similar to the above omitted
Ignored bad PDB record found on line 148347
ATOM 2437a H2 WAT X8673 67.496 29.216 17.629 0.00 0.00 H
Ignored bad PDB record found on line 148348
ATOM 2437b EPW WAT X8673 67.176 29.520 16.981 0.00 0.00
Ignored bad PDB record found on line 148349
ATOM 2437c O WAT X8674 50.842 35.846 37.337 0.00 0.00 O
Ignored bad PDB record found on line 148350
ATOM 2437d H1 WAT X8674 51.566 35.682 37.795 0.00 0.00 H
Ignored bad PDB record found on line 148351
ATOM 2437e H2 WAT X8674 50.406 35.091 37.364 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 24380
Duplicate atom serial number found: 24381
Duplicate atom serial number found: 24382
Duplicate atom serial number found: 24383
Duplicate atom serial number found: 24384
5 messages similar to the above omitted
Ignored bad PDB record found on line 148363
ATOM 2438a H2 WAT X8677 73.834 118.588 122.858 0.00 0.00 H
Ignored bad PDB record found on line 148364
ATOM 2438b EPW WAT X8677 73.456 119.138 123.270 0.00 0.00
Ignored bad PDB record found on line 148365
ATOM 2438c O WAT X8678 59.094 8.560 32.026 0.00 0.00 O
Ignored bad PDB record found on line 148366
ATOM 2438d H1 WAT X8678 59.784 8.758 32.521 0.00 0.00 H
Ignored bad PDB record found on line 148367
ATOM 2438e H2 WAT X8678 58.958 9.286 31.562 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 24390
Duplicate atom serial number found: 24391
Duplicate atom serial number found: 24392
Duplicate atom serial number found: 24393
Ignored bad PDB record found on line 148373
ATOM 24394 O WAT X867a 31.771 111.002 24.025 0.00 0.00 O
Ignored bad PDB record found on line 148374
ATOM 24395 H1 WAT X867a 31.347 111.011 23.263 0.00 0.00 H
Ignored bad PDB record found on line 148375
ATOM 24396 H2 WAT X867a 32.112 111.803 24.080 0.00 0.00 H
Ignored bad PDB record found on line 148376
ATOM 24397 EPW WAT X867a 31.759 111.122 23.920 0.00 0.00
Ignored bad PDB record found on line 148377
ATOM 24398 O WAT X867b 61.667 15.172 25.448 0.00 0.00 O
103 messages similar to the above omitted
Duplicate atom serial number found: 24400
Duplicate atom serial number found: 24401
Duplicate atom serial number found: 24402
Duplicate atom serial number found: 24403
Duplicate atom serial number found: 24404
5 messages similar to the above omitted
Ignored bad PDB record found on line 148491
ATOM 2440a H2 WAT X8697 72.867 40.312 16.703 0.00 0.00 H
Ignored bad PDB record found on line 148492
ATOM 2440b EPW WAT X8697 73.495 40.495 16.271 0.00 0.00
Ignored bad PDB record found on line 148493
ATOM 2440c O WAT X8698 82.897 116.973 12.647 0.00 0.00 O
Ignored bad PDB record found on line 148494
ATOM 2440d H1 WAT X8698 83.378 116.306 12.357 0.00 0.00 H
Ignored bad PDB record found on line 148495
ATOM 2440e H2 WAT X8698 83.395 117.671 12.484 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 24410
Duplicate atom serial number found: 24411
Duplicate atom serial number found: 24412
Duplicate atom serial number found: 24413
Ignored bad PDB record found on line 148501
ATOM 24414 O WAT X869a 86.700 1.703 110.863 0.00 0.00 O
Ignored bad PDB record found on line 148502
ATOM 24415 H1 WAT X869a 85.893 1.551 111.158 0.00 0.00 H
Ignored bad PDB record found on line 148503
ATOM 24416 H2 WAT X869a 86.941 0.937 110.522 0.00 0.00 H
Ignored bad PDB record found on line 148504
ATOM 24417 EPW WAT X869a 86.616 1.567 110.856 0.00 0.00
Ignored bad PDB record found on line 148505
ATOM 24418 O WAT X869b 45.567 16.388 18.677 0.00 0.00 O
487 messages similar to the above omitted
Duplicate atom serial number found: 24600
Duplicate atom serial number found: 24601
Duplicate atom serial number found: 24602
Duplicate atom serial number found: 24603
Duplicate atom serial number found: 24604
5 messages similar to the above omitted
Ignored bad PDB record found on line 149003
ATOM 2460a H2 WAT X8717 81.531 37.679 123.790 0.00 0.00 H
Ignored bad PDB record found on line 149004
ATOM 2460b EPW WAT X8717 80.778 37.625 124.001 0.00 0.00
Ignored bad PDB record found on line 149005
ATOM 2460c O WAT X8718 82.783 8.252 110.244 0.00 0.00 O
Ignored bad PDB record found on line 149006
ATOM 2460d H1 WAT X8718 83.591 8.570 110.325 0.00 0.00 H
Ignored bad PDB record found on line 149007
ATOM 2460e H2 WAT X8718 82.273 8.937 110.422 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 24610
Duplicate atom serial number found: 24611
Duplicate atom serial number found: 24612
Duplicate atom serial number found: 24613
Ignored bad PDB record found on line 149013
ATOM 24614 O WAT X871a 25.548 6.318 75.137 0.00 0.00 O
Ignored bad PDB record found on line 149014
ATOM 24615 H1 WAT X871a 25.903 7.039 75.475 0.00 0.00 H
Ignored bad PDB record found on line 149015
ATOM 24616 H2 WAT X871a 26.159 6.028 74.586 0.00 0.00 H
Ignored bad PDB record found on line 149016
ATOM 24617 EPW WAT X871a 25.691 6.382 75.105 0.00 0.00
Ignored bad PDB record found on line 149017
ATOM 24618 O WAT X871b 61.551 106.287 126.697 0.00 0.00 O
23 messages similar to the above omitted
Duplicate atom serial number found: 24630
Duplicate atom serial number found: 24631
Duplicate atom serial number found: 24632
Duplicate atom serial number found: 24633
Duplicate atom serial number found: 24634
5 messages similar to the above omitted
Ignored bad PDB record found on line 149051
ATOM 2463a H2 WAT X8723 60.025 125.665 125.805 0.00 0.00 H
Ignored bad PDB record found on line 149052
ATOM 2463b EPW WAT X8723 60.083 125.227 126.452 0.00 0.00
Ignored bad PDB record found on line 149053
ATOM 2463c O WAT X8724 46.031 80.846 115.858 0.00 0.00 O
Ignored bad PDB record found on line 149054
ATOM 2463d H1 WAT X8724 45.242 80.714 116.206 0.00 0.00 H
Ignored bad PDB record found on line 149055
ATOM 2463e H2 WAT X8724 46.082 81.714 115.789 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 24640
Duplicate atom serial number found: 24641
Duplicate atom serial number found: 24642
Duplicate atom serial number found: 24643
Duplicate atom serial number found: 24644
5 messages similar to the above omitted
Ignored bad PDB record found on line 149067
ATOM 2464a H2 WAT X8727 60.323 19.659 90.114 0.00 0.00 H
Ignored bad PDB record found on line 149068
ATOM 2464b EPW WAT X8727 59.807 19.492 89.547 0.00 0.00
Ignored bad PDB record found on line 149069
ATOM 2464c O WAT X8728 63.886 13.393 14.689 0.00 0.00 O
Ignored bad PDB record found on line 149070
ATOM 2464d H1 WAT X8728 63.050 13.194 14.835 0.00 0.00 H
Ignored bad PDB record found on line 149071
ATOM 2464e H2 WAT X8728 63.871 13.779 13.907 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 24650
Duplicate atom serial number found: 24651
Duplicate atom serial number found: 24652
Duplicate atom serial number found: 24653
Ignored bad PDB record found on line 149077
ATOM 24654 O WAT X872a 57.344 88.236 105.657 0.00 0.00 O
Ignored bad PDB record found on line 149078
ATOM 24655 H1 WAT X872a 57.184 88.042 106.492 0.00 0.00 H
Ignored bad PDB record found on line 149079
ATOM 24656 H2 WAT X872a 57.992 88.819 105.702 0.00 0.00 H
Ignored bad PDB record found on line 149080
ATOM 24657 EPW WAT X872a 57.416 88.294 105.787 0.00 0.00
Ignored bad PDB record found on line 149081
ATOM 24658 O WAT X872b 89.223 110.549 118.844 0.00 0.00 O
23 messages similar to the above omitted
Duplicate atom serial number found: 24670
Duplicate atom serial number found: 24671
Duplicate atom serial number found: 24672
Duplicate atom serial number found: 24673
Duplicate atom serial number found: 24674
5 messages similar to the above omitted
Ignored bad PDB record found on line 149115
ATOM 2467a H2 WAT X8733 42.641 8.066 103.290 0.00 0.00 H
Ignored bad PDB record found on line 149116
ATOM 2467b EPW WAT X8733 42.973 8.704 102.979 0.00 0.00
Ignored bad PDB record found on line 149117
ATOM 2467c O WAT X8734 53.795 95.823 81.062 0.00 0.00 O
Ignored bad PDB record found on line 149118
ATOM 2467d H1 WAT X8734 53.345 95.465 80.406 0.00 0.00 H
Ignored bad PDB record found on line 149119
ATOM 2467e H2 WAT X8734 53.512 96.648 81.080 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 24680
Duplicate atom serial number found: 24681
Duplicate atom serial number found: 24682
Duplicate atom serial number found: 24683
Duplicate atom serial number found: 24684
5 messages similar to the above omitted
Ignored bad PDB record found on line 149131
ATOM 2468a H2 WAT X8737 77.966 105.795 69.677 0.00 0.00 H
Ignored bad PDB record found on line 149132
ATOM 2468b EPW WAT X8737 78.047 105.871 68.901 0.00 0.00
Ignored bad PDB record found on line 149133
ATOM 2468c O WAT X8738 77.627 105.846 86.399 0.00 0.00 O
Ignored bad PDB record found on line 149134
ATOM 2468d H1 WAT X8738 77.385 105.174 85.897 0.00 0.00 H
Ignored bad PDB record found on line 149135
ATOM 2468e H2 WAT X8738 77.594 105.519 87.208 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 24690
Duplicate atom serial number found: 24691
Duplicate atom serial number found: 24692
Duplicate atom serial number found: 24693
Ignored bad PDB record found on line 149141
ATOM 24694 O WAT X873a 40.605 123.850 89.287 0.00 0.00 O
Ignored bad PDB record found on line 149142
ATOM 24695 H1 WAT X873a 41.114 124.375 88.812 0.00 0.00 H
Ignored bad PDB record found on line 149143
ATOM 24696 H2 WAT X873a 41.077 123.120 89.361 0.00 0.00 H
Ignored bad PDB record found on line 149144
ATOM 24697 EPW WAT X873a 40.750 123.820 89.228 0.00 0.00
Ignored bad PDB record found on line 149145
ATOM 24698 O WAT X873b 58.468 13.938 104.490 0.00 0.00 O
103 messages similar to the above omitted
Duplicate atom serial number found: 24700
Duplicate atom serial number found: 24701
Duplicate atom serial number found: 24702
Duplicate atom serial number found: 24703
Duplicate atom serial number found: 24704
5 messages similar to the above omitted
Ignored bad PDB record found on line 149259
ATOM 2470a H2 WAT X8757 43.658 126.948 122.848 0.00 0.00 H
Ignored bad PDB record found on line 149260
ATOM 2470b EPW WAT X8757 43.014 126.503 122.802 0.00 0.00
Ignored bad PDB record found on line 149261
ATOM 2470c O WAT X8758 26.213 107.038 96.650 0.00 0.00 O
Ignored bad PDB record found on line 149262
ATOM 2470d H1 WAT X8758 25.438 106.641 96.694 0.00 0.00 H
Ignored bad PDB record found on line 149263
ATOM 2470e H2 WAT X8758 26.298 107.232 95.804 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 24710
Duplicate atom serial number found: 24711
Duplicate atom serial number found: 24712
Duplicate atom serial number found: 24713
Ignored bad PDB record found on line 149269
ATOM 24714 O WAT X875a 65.743 3.146 79.812 0.00 0.00 O
Ignored bad PDB record found on line 149270
ATOM 24715 H1 WAT X875a 66.279 3.784 79.553 0.00 0.00 H
Ignored bad PDB record found on line 149271
ATOM 24716 H2 WAT X875a 65.508 2.760 79.065 0.00 0.00 H
Ignored bad PDB record found on line 149272
ATOM 24717 EPW WAT X875a 65.788 3.183 79.663 0.00 0.00
Ignored bad PDB record found on line 149273
ATOM 24718 O WAT X875b 95.313 21.618 111.479 0.00 0.00 O
23 messages similar to the above omitted
Duplicate atom serial number found: 24730
Duplicate atom serial number found: 24731
Duplicate atom serial number found: 24732
Duplicate atom serial number found: 24733
Duplicate atom serial number found: 24734
5 messages similar to the above omitted
Ignored bad PDB record found on line 149307
ATOM 2473a H2 WAT X8763 36.671 128.828 101.595 0.00 0.00 H
Ignored bad PDB record found on line 149308
ATOM 2473b EPW WAT X8763 36.601 128.759 100.817 0.00 0.00
Ignored bad PDB record found on line 149309
ATOM 2473c O WAT X8764 33.639 98.468 99.218 0.00 0.00 O
Ignored bad PDB record found on line 149310
ATOM 2473d H1 WAT X8764 34.511 98.443 99.206 0.00 0.00 H
Ignored bad PDB record found on line 149311
ATOM 2473e H2 WAT X8764 33.412 98.051 98.486 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 24740
Duplicate atom serial number found: 24741
Duplicate atom serial number found: 24742
Duplicate atom serial number found: 24743
Duplicate atom serial number found: 24744
5 messages similar to the above omitted
Ignored bad PDB record found on line 149323
ATOM 2474a H2 WAT X8767 54.149 122.064 94.542 0.00 0.00 H
Ignored bad PDB record found on line 149324
ATOM 2474b EPW WAT X8767 53.391 122.025 94.346 0.00 0.00
Ignored bad PDB record found on line 149325
ATOM 2474c O WAT X8768 22.338 96.548 84.687 0.00 0.00 O
Ignored bad PDB record found on line 149326
ATOM 2474d H1 WAT X8768 22.609 97.291 84.321 0.00 0.00 H
Ignored bad PDB record found on line 149327
ATOM 2474e H2 WAT X8768 21.913 96.814 85.401 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 24750
Duplicate atom serial number found: 24751
Duplicate atom serial number found: 24752
Duplicate atom serial number found: 24753
Ignored bad PDB record found on line 149333
ATOM 24754 O WAT X876a 65.067 9.388 120.193 0.00 0.00 O
Ignored bad PDB record found on line 149334
ATOM 24755 H1 WAT X876a 65.073 8.667 119.703 0.00 0.00 H
Ignored bad PDB record found on line 149335
ATOM 24756 H2 WAT X876a 65.853 9.739 120.051 0.00 0.00 H
Ignored bad PDB record found on line 149336
ATOM 24757 EPW WAT X876a 65.184 9.333 120.100 0.00 0.00
Ignored bad PDB record found on line 149337
ATOM 24758 O WAT X876b 33.771 94.078 92.397 0.00 0.00 O
23 messages similar to the above omitted
Duplicate atom serial number found: 24770
Duplicate atom serial number found: 24771
Duplicate atom serial number found: 24772
Duplicate atom serial number found: 24773
Duplicate atom serial number found: 24774
5 messages similar to the above omitted
Ignored bad PDB record found on line 149371
ATOM 2477a H2 WAT X8773 76.575 117.634 106.131 0.00 0.00 H
Ignored bad PDB record found on line 149372
ATOM 2477b EPW WAT X8773 76.792 117.257 105.479 0.00 0.00
Ignored bad PDB record found on line 149373
ATOM 2477c O WAT X8774 67.141 122.802 128.774 0.00 0.00 O
Ignored bad PDB record found on line 149374
ATOM 2477d H1 WAT X8774 67.365 121.962 128.846 0.00 0.00 H
Ignored bad PDB record found on line 149375
ATOM 2477e H2 WAT X8774 66.580 122.809 128.106 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 24780
Duplicate atom serial number found: 24781
Duplicate atom serial number found: 24782
Duplicate atom serial number found: 24783
Duplicate atom serial number found: 24784
5 messages similar to the above omitted
Ignored bad PDB record found on line 149387
ATOM 2478a H2 WAT X8777 31.360 12.238 79.812 0.00 0.00 H
Ignored bad PDB record found on line 149388
ATOM 2478b EPW WAT X8777 32.117 12.054 79.724 0.00 0.00
Ignored bad PDB record found on line 149389
ATOM 2478c O WAT X8778 34.362 21.639 73.561 0.00 0.00 O
Ignored bad PDB record found on line 149390
ATOM 2478d H1 WAT X8778 34.036 22.247 74.094 0.00 0.00 H
Ignored bad PDB record found on line 149391
ATOM 2478e H2 WAT X8778 34.112 20.888 73.929 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 24790
Duplicate atom serial number found: 24791
Duplicate atom serial number found: 24792
Duplicate atom serial number found: 24793
Ignored bad PDB record found on line 149397
ATOM 24794 O WAT X877a 31.424 104.697 115.765 0.00 0.00 O
Ignored bad PDB record found on line 149398
ATOM 24795 H1 WAT X877a 30.680 105.145 115.845 0.00 0.00 H
Ignored bad PDB record found on line 149399
ATOM 24796 H2 WAT X877a 31.900 105.185 115.221 0.00 0.00 H
Ignored bad PDB record found on line 149400
ATOM 24797 EPW WAT X877a 31.384 104.835 115.697 0.00 0.00
Ignored bad PDB record found on line 149401
ATOM 24798 O WAT X877b 37.169 128.802 79.733 0.00 0.00 O
103 messages similar to the above omitted
Duplicate atom serial number found: 24800
Duplicate atom serial number found: 24801
Duplicate atom serial number found: 24802
Duplicate atom serial number found: 24803
Duplicate atom serial number found: 24804
5 messages similar to the above omitted
Ignored bad PDB record found on line 149515
ATOM 2480a H2 WAT X8797 68.698 87.558 124.521 0.00 0.00 H
Ignored bad PDB record found on line 149516
ATOM 2480b EPW WAT X8797 68.939 87.957 123.891 0.00 0.00
Ignored bad PDB record found on line 149517
ATOM 2480c O WAT X8798 37.280 6.051 100.830 0.00 0.00 O
Ignored bad PDB record found on line 149518
ATOM 2480d H1 WAT X8798 37.797 5.734 100.203 0.00 0.00 H
Ignored bad PDB record found on line 149519
ATOM 2480e H2 WAT X8798 37.068 5.346 101.298 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 24810
Duplicate atom serial number found: 24811
Duplicate atom serial number found: 24812
Duplicate atom serial number found: 24813
Ignored bad PDB record found on line 149525
ATOM 24814 O WAT X879a 68.752 112.024 100.759 0.00 0.00 O
Ignored bad PDB record found on line 149526
ATOM 24815 H1 WAT X879a 68.730 112.068 99.888 0.00 0.00 H
Ignored bad PDB record found on line 149527
ATOM 24816 H2 WAT X879a 69.424 112.537 100.974 0.00 0.00 H
Ignored bad PDB record found on line 149528
ATOM 24817 EPW WAT X879a 68.848 112.106 100.662 0.00 0.00
Ignored bad PDB record found on line 149529
ATOM 24818 O WAT X879b 61.839 127.857 114.313 0.00 0.00 O
2023 messages similar to the above omitted
Duplicate atom serial number found: 25000
Duplicate atom serial number found: 25001
Duplicate atom serial number found: 25002
Duplicate atom serial number found: 25003
Duplicate atom serial number found: 25004
5 messages similar to the above omitted
Ignored bad PDB record found on line 151563
ATOM 2500a H2 WAT X8997 34.395 3.302 14.978 0.00 0.00 H
Ignored bad PDB record found on line 151564
ATOM 2500b EPW WAT X8997 34.361 3.045 15.718 0.00 0.00
Ignored bad PDB record found on line 151565
ATOM 2500c O WAT X8998 66.342 84.194 32.346 0.00 0.00 O
Ignored bad PDB record found on line 151566
ATOM 2500d H1 WAT X8998 66.726 84.385 33.106 0.00 0.00 H
Ignored bad PDB record found on line 151567
ATOM 2500e H2 WAT X8998 66.887 83.618 31.981 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 25010
Duplicate atom serial number found: 25011
Duplicate atom serial number found: 25012
Duplicate atom serial number found: 25013
Ignored bad PDB record found on line 151573
ATOM 25014 O WAT X899a 38.728 105.572 11.423 0.00 0.00 O
Ignored bad PDB record found on line 151574
ATOM 25015 H1 WAT X899a 38.227 104.994 11.003 0.00 0.00 H
Ignored bad PDB record found on line 151575
ATOM 25016 H2 WAT X899a 38.155 106.055 11.869 0.00 0.00 H
Ignored bad PDB record found on line 151576
ATOM 25017 EPW WAT X899a 38.569 105.558 11.427 0.00 0.00
Ignored bad PDB record found on line 151577
ATOM 25018 O WAT X899b 58.812 101.461 127.127 0.00 0.00 O
8167 messages similar to the above omitted
Duplicate atom serial number found: 27000
Duplicate atom serial number found: 27001
Duplicate atom serial number found: 27002
Duplicate atom serial number found: 27003
Duplicate atom serial number found: 27004
5 messages similar to the above omitted
Ignored bad PDB record found on line 159755
ATOM 2700a H2 WAT X9197 48.081 100.978 83.842 0.00 0.00 H
Ignored bad PDB record found on line 159756
ATOM 2700b EPW WAT X9197 48.297 100.479 84.407 0.00 0.00
Ignored bad PDB record found on line 159757
ATOM 2700c O WAT X9198 74.429 107.172 64.341 0.00 0.00 O
Ignored bad PDB record found on line 159758
ATOM 2700d H1 WAT X9198 74.035 106.422 64.551 0.00 0.00 H
Ignored bad PDB record found on line 159759
ATOM 2700e H2 WAT X9198 73.852 107.781 64.580 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 27010
Duplicate atom serial number found: 27011
Duplicate atom serial number found: 27012
Duplicate atom serial number found: 27013
Ignored bad PDB record found on line 159765
ATOM 27014 O WAT X919a 58.932 112.197 96.119 0.00 0.00 O
Ignored bad PDB record found on line 159766
ATOM 27015 H1 WAT X919a 58.873 111.454 95.667 0.00 0.00 H
Ignored bad PDB record found on line 159767
ATOM 27016 H2 WAT X919a 59.029 112.806 95.502 0.00 0.00 H
Ignored bad PDB record found on line 159768
ATOM 27017 EPW WAT X919a 58.938 112.177 95.961 0.00 0.00
Ignored bad PDB record found on line 159769
ATOM 27018 O WAT X919b 23.922 80.329 69.656 0.00 0.00 O
487 messages similar to the above omitted
Duplicate atom serial number found: 27200
Duplicate atom serial number found: 27201
Duplicate atom serial number found: 27202
Duplicate atom serial number found: 27203
Duplicate atom serial number found: 27204
5 messages similar to the above omitted
Ignored bad PDB record found on line 160267
ATOM 2720a H2 WAT X9217 66.855 87.587 54.549 0.00 0.00 H
Ignored bad PDB record found on line 160268
ATOM 2720b EPW WAT X9217 66.359 86.980 54.542 0.00 0.00
Ignored bad PDB record found on line 160269
ATOM 2720c O WAT X9218 45.741 102.210 68.561 0.00 0.00 O
Ignored bad PDB record found on line 160270
ATOM 2720d H1 WAT X9218 46.035 101.452 68.245 0.00 0.00 H
Ignored bad PDB record found on line 160271
ATOM 2720e H2 WAT X9218 45.703 102.724 67.857 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 27210
Duplicate atom serial number found: 27211
Duplicate atom serial number found: 27212
Duplicate atom serial number found: 27213
Ignored bad PDB record found on line 160277
ATOM 27214 O WAT X921a 52.998 91.846 63.764 0.00 0.00 O
Ignored bad PDB record found on line 160278
ATOM 27215 H1 WAT X921a 52.553 91.475 63.111 0.00 0.00 H
Ignored bad PDB record found on line 160279
ATOM 27216 H2 WAT X921a 52.468 92.483 64.037 0.00 0.00 H
Ignored bad PDB record found on line 160280
ATOM 27217 EPW WAT X921a 52.854 91.885 63.708 0.00 0.00
Ignored bad PDB record found on line 160281
ATOM 27218 O WAT X921b 78.424 103.263 78.929 0.00 0.00 O
23 messages similar to the above omitted
Duplicate atom serial number found: 27230
Duplicate atom serial number found: 27231
Duplicate atom serial number found: 27232
Duplicate atom serial number found: 27233
Duplicate atom serial number found: 27234
5 messages similar to the above omitted
Ignored bad PDB record found on line 160315
ATOM 2723a H2 WAT X9223 51.943 89.570 68.969 0.00 0.00 H
Ignored bad PDB record found on line 160316
ATOM 2723b EPW WAT X9223 51.672 90.271 69.194 0.00 0.00
Ignored bad PDB record found on line 160317
ATOM 2723c O WAT X9224 68.893 103.979 48.828 0.00 0.00 O
Ignored bad PDB record found on line 160318
ATOM 2723d H1 WAT X9224 68.194 103.460 48.781 0.00 0.00 H
Ignored bad PDB record found on line 160319
ATOM 2723e H2 WAT X9224 69.193 103.995 48.009 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 27240
Duplicate atom serial number found: 27241
Duplicate atom serial number found: 27242
Duplicate atom serial number found: 27243
Duplicate atom serial number found: 27244
5 messages similar to the above omitted
Ignored bad PDB record found on line 160331
ATOM 2724a H2 WAT X9227 66.216 83.781 96.041 0.00 0.00 H
Ignored bad PDB record found on line 160332
ATOM 2724b EPW WAT X9227 66.665 83.148 95.928 0.00 0.00
Ignored bad PDB record found on line 160333
ATOM 2724c O WAT X9228 57.719 8.719 72.622 0.00 0.00 O
Ignored bad PDB record found on line 160334
ATOM 2724d H1 WAT X9228 57.606 9.382 72.066 0.00 0.00 H
Ignored bad PDB record found on line 160335
ATOM 2724e H2 WAT X9228 58.553 8.492 72.503 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 27250
Duplicate atom serial number found: 27251
Duplicate atom serial number found: 27252
Duplicate atom serial number found: 27253
Ignored bad PDB record found on line 160341
ATOM 27254 O WAT X922a 50.796 88.036 84.026 0.00 0.00 O
Ignored bad PDB record found on line 160342
ATOM 27255 H1 WAT X922a 50.134 88.572 84.215 0.00 0.00 H
Ignored bad PDB record found on line 160343
ATOM 27256 H2 WAT X922a 51.224 88.456 83.392 0.00 0.00 H
Ignored bad PDB record found on line 160344
ATOM 27257 EPW WAT X922a 50.761 88.177 83.960 0.00 0.00
Ignored bad PDB record found on line 160345
ATOM 27258 O WAT X922b 29.949 106.852 117.651 0.00 0.00 O
23 messages similar to the above omitted
Duplicate atom serial number found: 27270
Duplicate atom serial number found: 27271
Duplicate atom serial number found: 27272
Duplicate atom serial number found: 27273
Duplicate atom serial number found: 27274
5 messages similar to the above omitted
Ignored bad PDB record found on line 160379
ATOM 2727a H2 WAT X9233 54.768 119.957 107.910 0.00 0.00 H
Ignored bad PDB record found on line 160380
ATOM 2727b EPW WAT X9233 54.978 119.204 107.852 0.00 0.00
Ignored bad PDB record found on line 160381
ATOM 2727c O WAT X9234 90.035 113.906 24.660 0.00 0.00 O
Ignored bad PDB record found on line 160382
ATOM 2727d H1 WAT X9234 89.657 113.298 25.158 0.00 0.00 H
Ignored bad PDB record found on line 160383
ATOM 2727e H2 WAT X9234 89.457 114.037 24.020 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 27280
Duplicate atom serial number found: 27281
Duplicate atom serial number found: 27282
Duplicate atom serial number found: 27283
Duplicate atom serial number found: 27284
5 messages similar to the above omitted
Ignored bad PDB record found on line 160395
ATOM 2728a H2 WAT X9237 54.539 128.559 29.181 0.00 0.00 H
Ignored bad PDB record found on line 160396
ATOM 2728b EPW WAT X9237 54.503 128.675 29.956 0.00 0.00
Ignored bad PDB record found on line 160397
ATOM 2728c O WAT X9238 31.113 81.555 69.280 0.00 0.00 O
Ignored bad PDB record found on line 160398
ATOM 2728d H1 WAT X9238 31.517 82.325 69.340 0.00 0.00 H
Ignored bad PDB record found on line 160399
ATOM 2728e H2 WAT X9238 31.332 81.151 70.022 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 27290
Duplicate atom serial number found: 27291
Duplicate atom serial number found: 27292
Duplicate atom serial number found: 27293
Ignored bad PDB record found on line 160405
ATOM 27294 O WAT X923a 60.226 90.874 39.975 0.00 0.00 O
Ignored bad PDB record found on line 160406
ATOM 27295 H1 WAT X923a 60.615 91.451 39.450 0.00 0.00 H
Ignored bad PDB record found on line 160407
ATOM 27296 H2 WAT X923a 59.390 90.903 39.729 0.00 0.00 H
Ignored bad PDB record found on line 160408
ATOM 27297 EPW WAT X923a 60.160 90.964 39.861 0.00 0.00
Ignored bad PDB record found on line 160409
ATOM 27298 O WAT X923b 77.085 118.971 49.172 0.00 0.00 O
103 messages similar to the above omitted
Duplicate atom serial number found: 27300
Duplicate atom serial number found: 27301
Duplicate atom serial number found: 27302
Duplicate atom serial number found: 27303
Duplicate atom serial number found: 27304
5 messages similar to the above omitted
Ignored bad PDB record found on line 160523
ATOM 2730a H2 WAT X9257 21.851 117.187 51.795 0.00 0.00 H
Ignored bad PDB record found on line 160524
ATOM 2730b EPW WAT X9257 22.548 116.909 51.568 0.00 0.00
Ignored bad PDB record found on line 160525
ATOM 2730c O WAT X9258 84.161 127.026 69.835 0.00 0.00 O
Ignored bad PDB record found on line 160526
ATOM 2730d H1 WAT X9258 83.697 126.305 69.998 0.00 0.00 H
Ignored bad PDB record found on line 160527
ATOM 2730e H2 WAT X9258 84.507 127.226 70.610 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 27310
Duplicate atom serial number found: 27311
Duplicate atom serial number found: 27312
Duplicate atom serial number found: 27313
Ignored bad PDB record found on line 160533
ATOM 27314 O WAT X925a 45.148 106.960 26.170 0.00 0.00 O
Ignored bad PDB record found on line 160534
ATOM 27315 H1 WAT X925a 45.936 106.754 26.483 0.00 0.00 H
Ignored bad PDB record found on line 160535
ATOM 27316 H2 WAT X925a 44.709 107.225 26.876 0.00 0.00 H
Ignored bad PDB record found on line 160536
ATOM 27317 EPW WAT X925a 45.199 106.968 26.321 0.00 0.00
Ignored bad PDB record found on line 160537
ATOM 27318 O WAT X925b 57.647 94.399 62.313 0.00 0.00 O
23 messages similar to the above omitted
Duplicate atom serial number found: 27330
Duplicate atom serial number found: 27331
Duplicate atom serial number found: 27332
Duplicate atom serial number found: 27333
Duplicate atom serial number found: 27334
5 messages similar to the above omitted
Ignored bad PDB record found on line 160571
ATOM 2733a H2 WAT X9263 54.270 75.015 23.299 0.00 0.00 H
Ignored bad PDB record found on line 160572
ATOM 2733b EPW WAT X9263 54.969 75.278 23.059 0.00 0.00
Ignored bad PDB record found on line 160573
ATOM 2733c O WAT X9264 25.818 97.711 27.553 0.00 0.00 O
Ignored bad PDB record found on line 160574
ATOM 2733d H1 WAT X9264 25.479 98.407 27.150 0.00 0.00 H
Ignored bad PDB record found on line 160575
ATOM 2733e H2 WAT X9264 25.210 97.497 28.141 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 27340
Duplicate atom serial number found: 27341
Duplicate atom serial number found: 27342
Duplicate atom serial number found: 27343
Duplicate atom serial number found: 27344
5 messages similar to the above omitted
Ignored bad PDB record found on line 160587
ATOM 2734a H2 WAT X9267 65.065 99.018 15.533 0.00 0.00 H
Ignored bad PDB record found on line 160588
ATOM 2734b EPW WAT X9267 64.602 99.240 16.126 0.00 0.00
Ignored bad PDB record found on line 160589
ATOM 2734c O WAT X9268 56.586 104.013 82.489 0.00 0.00 O
Ignored bad PDB record found on line 160590
ATOM 2734d H1 WAT X9268 56.916 103.458 81.903 0.00 0.00 H
Ignored bad PDB record found on line 160591
ATOM 2734e H2 WAT X9268 56.365 103.499 83.158 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 27350
Duplicate atom serial number found: 27351
Duplicate atom serial number found: 27352
Duplicate atom serial number found: 27353
Ignored bad PDB record found on line 160597
ATOM 27354 O WAT X926a 39.423 74.437 53.424 0.00 0.00 O
Ignored bad PDB record found on line 160598
ATOM 27355 H1 WAT X926a 38.903 74.974 52.976 0.00 0.00 H
Ignored bad PDB record found on line 160599
ATOM 27356 H2 WAT X926a 39.248 74.629 54.257 0.00 0.00 H
Ignored bad PDB record found on line 160600
ATOM 27357 EPW WAT X926a 39.321 74.545 53.481 0.00 0.00
Ignored bad PDB record found on line 160601
ATOM 27358 O WAT X926b 53.403 89.425 95.015 0.00 0.00 O
23 messages similar to the above omitted
Duplicate atom serial number found: 27370
Duplicate atom serial number found: 27371
Duplicate atom serial number found: 27372
Duplicate atom serial number found: 27373
Duplicate atom serial number found: 27374
5 messages similar to the above omitted
Ignored bad PDB record found on line 160635
ATOM 2737a H2 WAT X9273 62.550 95.118 32.475 0.00 0.00 H
Ignored bad PDB record found on line 160636
ATOM 2737b EPW WAT X9273 61.831 95.423 32.539 0.00 0.00
Ignored bad PDB record found on line 160637
ATOM 2737c O WAT X9274 57.823 65.651 23.572 0.00 0.00 O
Ignored bad PDB record found on line 160638
ATOM 2737d H1 WAT X9274 56.954 65.600 23.514 0.00 0.00 H
Ignored bad PDB record found on line 160639
ATOM 2737e H2 WAT X9274 57.979 65.535 24.423 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 27380
Duplicate atom serial number found: 27381
Duplicate atom serial number found: 27382
Duplicate atom serial number found: 27383
Duplicate atom serial number found: 27384
5 messages similar to the above omitted
Ignored bad PDB record found on line 160651
ATOM 2738a H2 WAT X9277 73.906 100.416 44.697 0.00 0.00 H
Ignored bad PDB record found on line 160652
ATOM 2738b EPW WAT X9277 73.788 100.052 45.381 0.00 0.00
Ignored bad PDB record found on line 160653
ATOM 2738c O WAT X9278 69.622 100.950 29.023 0.00 0.00 O
Ignored bad PDB record found on line 160654
ATOM 2738d H1 WAT X9278 69.362 100.241 29.460 0.00 0.00 H
Ignored bad PDB record found on line 160655
ATOM 2738e H2 WAT X9278 70.445 101.065 29.289 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 27390
Duplicate atom serial number found: 27391
Duplicate atom serial number found: 27392
Duplicate atom serial number found: 27393
Ignored bad PDB record found on line 160661
ATOM 27394 O WAT X927a 45.361 114.365 55.161 0.00 0.00 O
Ignored bad PDB record found on line 160662
ATOM 27395 H1 WAT X927a 44.917 115.025 54.802 0.00 0.00 H
Ignored bad PDB record found on line 160663
ATOM 27396 H2 WAT X927a 44.859 114.122 55.833 0.00 0.00 H
Ignored bad PDB record found on line 160664
ATOM 27397 EPW WAT X927a 45.221 114.427 55.208 0.00 0.00
Ignored bad PDB record found on line 160665
ATOM 27398 O WAT X927b 49.593 117.598 46.074 0.00 0.00 O
103 messages similar to the above omitted
Duplicate atom serial number found: 27400
Duplicate atom serial number found: 27401
Duplicate atom serial number found: 27402
Duplicate atom serial number found: 27403
Duplicate atom serial number found: 27404
5 messages similar to the above omitted
Ignored bad PDB record found on line 160779
ATOM 2740a H2 WAT X9297 43.346 9.106 33.900 0.00 0.00 H
Ignored bad PDB record found on line 160780
ATOM 2740b EPW WAT X9297 43.197 9.493 34.565 0.00 0.00
Ignored bad PDB record found on line 160781
ATOM 2740c O WAT X9298 45.113 88.362 28.812 0.00 0.00 O
Ignored bad PDB record found on line 160782
ATOM 2740d H1 WAT X9298 44.792 87.759 29.354 0.00 0.00 H
Ignored bad PDB record found on line 160783
ATOM 2740e H2 WAT X9298 44.438 88.550 28.292 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 27410
Duplicate atom serial number found: 27411
Duplicate atom serial number found: 27412
Duplicate atom serial number found: 27413
Ignored bad PDB record found on line 160789
ATOM 27414 O WAT X929a 60.873 91.446 49.782 0.00 0.00 O
Ignored bad PDB record found on line 160790
ATOM 27415 H1 WAT X929a 60.298 92.039 50.060 0.00 0.00 H
Ignored bad PDB record found on line 160791
ATOM 27416 H2 WAT X929a 61.165 91.081 50.519 0.00 0.00 H
Ignored bad PDB record found on line 160792
ATOM 27417 EPW WAT X929a 60.831 91.479 49.932 0.00 0.00
Ignored bad PDB record found on line 160793
ATOM 27418 O WAT X929b 67.363 101.324 38.280 0.00 0.00 O
487 messages similar to the above omitted
Duplicate atom serial number found: 27600
Duplicate atom serial number found: 27601
Duplicate atom serial number found: 27602
Duplicate atom serial number found: 27603
Duplicate atom serial number found: 27604
5 messages similar to the above omitted
Ignored bad PDB record found on line 161291
ATOM 2760a H2 WAT X9317 62.841 99.987 52.221 0.00 0.00 H
Ignored bad PDB record found on line 161292
ATOM 2760b EPW WAT X9317 63.381 100.424 51.857 0.00 0.00
Ignored bad PDB record found on line 161293
ATOM 2760c O WAT X9318 32.899 105.032 53.482 0.00 0.00 O
Ignored bad PDB record found on line 161294
ATOM 2760d H1 WAT X9318 33.759 105.147 53.389 0.00 0.00 H
Ignored bad PDB record found on line 161295
ATOM 2760e H2 WAT X9318 32.600 105.837 53.632 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 27610
Duplicate atom serial number found: 27611
Duplicate atom serial number found: 27612
Duplicate atom serial number found: 27613
Ignored bad PDB record found on line 161301
ATOM 27614 O WAT X931a 50.399 104.812 129.389 0.00 0.00 O
Ignored bad PDB record found on line 161302
ATOM 27615 H1 WAT X931a 50.357 104.152 128.820 0.00 0.00 H
Ignored bad PDB record found on line 161303
ATOM 27616 H2 WAT X931a 50.151 105.504 128.919 0.00 0.00 H
Ignored bad PDB record found on line 161304
ATOM 27617 EPW WAT X931a 50.356 104.816 129.236 0.00 0.00
Ignored bad PDB record found on line 161305
ATOM 27618 O WAT X931b 21.055 89.094 42.140 0.00 0.00 O
23 messages similar to the above omitted
Duplicate atom serial number found: 27630
Duplicate atom serial number found: 27631
Duplicate atom serial number found: 27632
Duplicate atom serial number found: 27633
Duplicate atom serial number found: 27634
5 messages similar to the above omitted
Ignored bad PDB record found on line 161339
ATOM 2763a H2 WAT X9323 6.200 4.158 12.537 0.00 0.00 H
Ignored bad PDB record found on line 161340
ATOM 2763b EPW WAT X9323 6.666 4.380 11.947 0.00 0.00
Ignored bad PDB record found on line 161341
ATOM 2763c O WAT X9324 60.457 90.866 23.963 0.00 0.00 O
Ignored bad PDB record found on line 161342
ATOM 2763d H1 WAT X9324 60.732 91.462 23.388 0.00 0.00 H
Ignored bad PDB record found on line 161343
ATOM 2763e H2 WAT X9324 60.595 91.248 24.735 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 27640
Duplicate atom serial number found: 27641
Duplicate atom serial number found: 27642
Duplicate atom serial number found: 27643
Duplicate atom serial number found: 27644
5 messages similar to the above omitted
Ignored bad PDB record found on line 161355
ATOM 2764a H2 WAT X9327 49.220 93.656 117.142 0.00 0.00 H
Ignored bad PDB record found on line 161356
ATOM 2764b EPW WAT X9327 48.964 93.929 117.831 0.00 0.00
Ignored bad PDB record found on line 161357
ATOM 2764c O WAT X9328 61.635 89.189 8.893 0.00 0.00 O
Ignored bad PDB record found on line 161358
ATOM 2764d H1 WAT X9328 61.397 89.691 8.220 0.00 0.00 H
Ignored bad PDB record found on line 161359
ATOM 2764e H2 WAT X9328 60.904 89.118 9.364 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 27650
Duplicate atom serial number found: 27651
Duplicate atom serial number found: 27652
Duplicate atom serial number found: 27653
Ignored bad PDB record found on line 161365
ATOM 27654 O WAT X932a 74.497 84.078 41.822 0.00 0.00 O
Ignored bad PDB record found on line 161366
ATOM 27655 H1 WAT X932a 75.200 83.562 41.807 0.00 0.00 H
Ignored bad PDB record found on line 161367
ATOM 27656 H2 WAT X932a 74.282 84.156 40.980 0.00 0.00 H
Ignored bad PDB record found on line 161368
ATOM 27657 EPW WAT X932a 74.569 84.013 41.695 0.00 0.00
Ignored bad PDB record found on line 161369
ATOM 27658 O WAT X932b 54.062 100.233 42.646 0.00 0.00 O
23 messages similar to the above omitted
Duplicate atom serial number found: 27670
Duplicate atom serial number found: 27671
Duplicate atom serial number found: 27672
Duplicate atom serial number found: 27673
Duplicate atom serial number found: 27674
5 messages similar to the above omitted
Ignored bad PDB record found on line 161403
ATOM 2767a H2 WAT X9333 28.178 119.649 44.218 0.00 0.00 H
Ignored bad PDB record found on line 161404
ATOM 2767b EPW WAT X9333 27.723 119.869 44.817 0.00 0.00
Ignored bad PDB record found on line 161405
ATOM 2767c O WAT X9334 59.902 99.795 4.583 0.00 0.00 O
Ignored bad PDB record found on line 161406
ATOM 2767d H1 WAT X9334 59.261 100.386 4.553 0.00 0.00 H
Ignored bad PDB record found on line 161407
ATOM 2767e H2 WAT X9334 59.491 99.040 4.437 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 27680
Duplicate atom serial number found: 27681
Duplicate atom serial number found: 27682
Duplicate atom serial number found: 27683
Duplicate atom serial number found: 27684
5 messages similar to the above omitted
Ignored bad PDB record found on line 161419
ATOM 2768a H2 WAT X9337 64.367 106.013 34.093 0.00 0.00 H
Ignored bad PDB record found on line 161420
ATOM 2768b EPW WAT X9337 64.769 106.663 34.267 0.00 0.00
Ignored bad PDB record found on line 161421
ATOM 2768c O WAT X9338 70.534 81.102 21.002 0.00 0.00 O
Ignored bad PDB record found on line 161422
ATOM 2768d H1 WAT X9338 70.487 81.123 20.131 0.00 0.00 H
Ignored bad PDB record found on line 161423
ATOM 2768e H2 WAT X9338 71.345 80.819 21.156 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 27690
Duplicate atom serial number found: 27691
Duplicate atom serial number found: 27692
Duplicate atom serial number found: 27693
Ignored bad PDB record found on line 161429
ATOM 27694 O WAT X933a 60.737 101.362 13.037 0.00 0.00 O
Ignored bad PDB record found on line 161430
ATOM 27695 H1 WAT X933a 60.134 100.731 13.039 0.00 0.00 H
Ignored bad PDB record found on line 161431
ATOM 27696 H2 WAT X933a 61.486 100.930 13.155 0.00 0.00 H
Ignored bad PDB record found on line 161432
ATOM 27697 EPW WAT X933a 60.759 101.205 13.054 0.00 0.00
Ignored bad PDB record found on line 161433
ATOM 27698 O WAT X933b 63.985 89.191 26.672 0.00 0.00 O
103 messages similar to the above omitted
Duplicate atom serial number found: 27700
Duplicate atom serial number found: 27701
Duplicate atom serial number found: 27702
Duplicate atom serial number found: 27703
Duplicate atom serial number found: 27704
5 messages similar to the above omitted
Ignored bad PDB record found on line 161547
ATOM 2770a H2 WAT X9357 36.880 84.970 33.648 0.00 0.00 H
Ignored bad PDB record found on line 161548
ATOM 2770b EPW WAT X9357 37.000 84.968 34.423 0.00 0.00
Ignored bad PDB record found on line 161549
ATOM 2770c O WAT X9358 54.226 90.033 48.961 0.00 0.00 O
Ignored bad PDB record found on line 161550
ATOM 2770d H1 WAT X9358 54.621 89.283 48.750 0.00 0.00 H
Ignored bad PDB record found on line 161551
ATOM 2770e H2 WAT X9358 53.546 89.777 49.443 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 27710
Duplicate atom serial number found: 27711
Duplicate atom serial number found: 27712
Duplicate atom serial number found: 27713
Ignored bad PDB record found on line 161557
ATOM 27714 O WAT X935a 127.151 76.285 3.469 0.00 0.00 O
Ignored bad PDB record found on line 161558
ATOM 27715 H1 WAT X935a 126.345 76.048 3.234 0.00 0.00 H
Ignored bad PDB record found on line 161559
ATOM 27716 H2 WAT X935a 127.037 77.073 3.826 0.00 0.00 H
Ignored bad PDB record found on line 161560
ATOM 27717 EPW WAT X935a 127.015 76.366 3.487 0.00 0.00
Ignored bad PDB record found on line 161561
ATOM 27718 O WAT X935b 48.185 95.929 34.312 0.00 0.00 O
23 messages similar to the above omitted
Duplicate atom serial number found: 27730
Duplicate atom serial number found: 27731
Duplicate atom serial number found: 27732
Duplicate atom serial number found: 27733
Duplicate atom serial number found: 27734
5 messages similar to the above omitted
Ignored bad PDB record found on line 161595
ATOM 2773a H2 WAT X9363 64.295 87.530 127.096 0.00 0.00 H
Ignored bad PDB record found on line 161596
ATOM 2773b EPW WAT X9363 63.644 87.446 126.667 0.00 0.00
Ignored bad PDB record found on line 161597
ATOM 2773c O WAT X9364 8.657 84.198 34.575 0.00 0.00 O
Ignored bad PDB record found on line 161598
ATOM 2773d H1 WAT X9364 8.065 84.459 35.160 0.00 0.00 H
Ignored bad PDB record found on line 161599
ATOM 2773e H2 WAT X9364 8.174 83.860 33.932 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 27740
Duplicate atom serial number found: 27741
Duplicate atom serial number found: 27742
Duplicate atom serial number found: 27743
Duplicate atom serial number found: 27744
5 messages similar to the above omitted
Ignored bad PDB record found on line 161611
ATOM 2774a H2 WAT X9367 75.499 58.464 18.169 0.00 0.00 H
Ignored bad PDB record found on line 161612
ATOM 2774b EPW WAT X9367 75.391 57.774 17.813 0.00 0.00
Ignored bad PDB record found on line 161613
ATOM 2774c O WAT X9368 33.605 97.458 25.033 0.00 0.00 O
Ignored bad PDB record found on line 161614
ATOM 2774d H1 WAT X9368 34.027 96.786 24.672 0.00 0.00 H
Ignored bad PDB record found on line 161615
ATOM 2774e H2 WAT X9368 34.222 98.069 25.114 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 27750
Duplicate atom serial number found: 27751
Duplicate atom serial number found: 27752
Duplicate atom serial number found: 27753
Ignored bad PDB record found on line 161621
ATOM 27754 O WAT X936a 68.684 98.196 124.135 0.00 0.00 O
Ignored bad PDB record found on line 161622
ATOM 27755 H1 WAT X936a 68.721 99.016 123.840 0.00 0.00 H
Ignored bad PDB record found on line 161623
ATOM 27756 H2 WAT X936a 69.224 98.199 124.819 0.00 0.00 H
Ignored bad PDB record found on line 161624
ATOM 27757 EPW WAT X936a 68.769 98.317 124.192 0.00 0.00
Ignored bad PDB record found on line 161625
ATOM 27758 O WAT X936b 53.708 96.801 21.850 0.00 0.00 O
23 messages similar to the above omitted
Duplicate atom serial number found: 27770
Duplicate atom serial number found: 27771
Duplicate atom serial number found: 27772
Duplicate atom serial number found: 27773
Duplicate atom serial number found: 27774
5 messages similar to the above omitted
Ignored bad PDB record found on line 161659
ATOM 2777a H2 WAT X9373 30.156 57.596 61.371 0.00 0.00 H
Ignored bad PDB record found on line 161660
ATOM 2777b EPW WAT X9373 29.744 56.944 61.231 0.00 0.00
Ignored bad PDB record found on line 161661
ATOM 2777c O WAT X9374 32.129 96.179 27.662 0.00 0.00 O
Ignored bad PDB record found on line 161662
ATOM 2777d H1 WAT X9374 31.721 96.930 27.841 0.00 0.00 H
Ignored bad PDB record found on line 161663
ATOM 2777e H2 WAT X9374 32.760 96.416 27.109 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 27780
Duplicate atom serial number found: 27781
Duplicate atom serial number found: 27782
Duplicate atom serial number found: 27783
Duplicate atom serial number found: 27784
5 messages similar to the above omitted
Ignored bad PDB record found on line 161675
ATOM 2778a H2 WAT X9377 52.054 4.368 31.865 0.00 0.00 H
Ignored bad PDB record found on line 161676
ATOM 2778b EPW WAT X9377 52.419 3.865 32.343 0.00 0.00
Ignored bad PDB record found on line 161677
ATOM 2778c O WAT X9378 62.121 123.525 3.804 0.00 0.00 O
Ignored bad PDB record found on line 161678
ATOM 2778d H1 WAT X9378 62.184 122.673 3.624 0.00 0.00 H
Ignored bad PDB record found on line 161679
ATOM 2778e H2 WAT X9378 62.943 123.759 3.977 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 27790
Duplicate atom serial number found: 27791
Duplicate atom serial number found: 27792
Duplicate atom serial number found: 27793
Ignored bad PDB record found on line 161685
ATOM 27794 O WAT X937a 30.509 60.410 24.105 0.00 0.00 O
Ignored bad PDB record found on line 161686
ATOM 27795 H1 WAT X937a 30.460 59.687 23.619 0.00 0.00 H
Ignored bad PDB record found on line 161687
ATOM 27796 H2 WAT X937a 29.713 60.476 24.456 0.00 0.00 H
Ignored bad PDB record found on line 161688
ATOM 27797 EPW WAT X937a 30.384 60.313 24.085 0.00 0.00
Ignored bad PDB record found on line 161689
ATOM 27798 O WAT X937b 56.398 107.029 46.770 0.00 0.00 O
103 messages similar to the above omitted
Duplicate atom serial number found: 27800
Duplicate atom serial number found: 27801
Duplicate atom serial number found: 27802
Duplicate atom serial number found: 27803
Duplicate atom serial number found: 27804
5 messages similar to the above omitted
Ignored bad PDB record found on line 161803
ATOM 2780a H2 WAT X9397 41.673 60.359 18.354 0.00 0.00 H
Ignored bad PDB record found on line 161804
ATOM 2780b EPW WAT X9397 42.314 59.912 18.412 0.00 0.00
Ignored bad PDB record found on line 161805
ATOM 2780c O WAT X9398 82.714 103.786 22.716 0.00 0.00 O
Ignored bad PDB record found on line 161806
ATOM 2780d H1 WAT X9398 83.578 103.820 22.603 0.00 0.00 H
Ignored bad PDB record found on line 161807
ATOM 2780e H2 WAT X9398 82.399 103.833 21.903 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 27810
Duplicate atom serial number found: 27811
Duplicate atom serial number found: 27812
Duplicate atom serial number found: 27813
Ignored bad PDB record found on line 161813
ATOM 27814 O WAT X939a 95.381 93.026 32.444 0.00 0.00 O
Ignored bad PDB record found on line 161814
ATOM 27815 H1 WAT X939a 94.681 92.505 32.470 0.00 0.00 H
Ignored bad PDB record found on line 161815
ATOM 27816 H2 WAT X939a 95.068 93.802 32.692 0.00 0.00 H
Ignored bad PDB record found on line 161816
ATOM 27817 EPW WAT X939a 95.231 93.064 32.485 0.00 0.00
Ignored bad PDB record found on line 161817
ATOM 27818 O WAT X939b 50.774 64.917 26.477 0.00 0.00 O
2023 messages similar to the above omitted
Duplicate atom serial number found: 28000
Duplicate atom serial number found: 28001
Duplicate atom serial number found: 28002
Duplicate atom serial number found: 28003
Duplicate atom serial number found: 28004
5 messages similar to the above omitted
Ignored bad PDB record found on line 163851
ATOM 2800a H2 WAT X9597 47.257 27.377 120.495 0.00 0.00 H
Ignored bad PDB record found on line 163852
ATOM 2800b EPW WAT X9597 46.755 26.838 120.763 0.00 0.00
Ignored bad PDB record found on line 163853
ATOM 2800c O WAT X9598 37.127 63.960 114.858 0.00 0.00 O
Ignored bad PDB record found on line 163854
ATOM 2800d H1 WAT X9598 37.968 64.137 114.710 0.00 0.00 H
Ignored bad PDB record found on line 163855
ATOM 2800e H2 WAT X9598 37.150 63.396 115.523 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 28010
Duplicate atom serial number found: 28011
Duplicate atom serial number found: 28012
Duplicate atom serial number found: 28013
Ignored bad PDB record found on line 163861
ATOM 28014 O WAT X959a 45.014 76.432 106.330 0.00 0.00 O
Ignored bad PDB record found on line 163862
ATOM 28015 H1 WAT X959a 44.287 76.557 105.864 0.00 0.00 H
Ignored bad PDB record found on line 163863
ATOM 28016 H2 WAT X959a 44.982 75.585 106.537 0.00 0.00 H
Ignored bad PDB record found on line 163864
ATOM 28017 EPW WAT X959a 44.902 76.325 106.292 0.00 0.00
Ignored bad PDB record found on line 163865
ATOM 28018 O WAT X959b 87.152 89.995 93.939 0.00 0.00 O
487 messages similar to the above omitted
Duplicate atom serial number found: 28200
Duplicate atom serial number found: 28201
Duplicate atom serial number found: 28202
Duplicate atom serial number found: 28203
Duplicate atom serial number found: 28204
5 messages similar to the above omitted
Ignored bad PDB record found on line 164363
ATOM 2820a H2 WAT X9617 34.669 75.440 106.777 0.00 0.00 H
Ignored bad PDB record found on line 164364
ATOM 2820b EPW WAT X9617 34.331 76.147 106.795 0.00 0.00
Ignored bad PDB record found on line 164365
ATOM 2820c O WAT X9618 59.357 77.658 89.526 0.00 0.00 O
Ignored bad PDB record found on line 164366
ATOM 2820d H1 WAT X9618 59.482 78.201 90.197 0.00 0.00 H
Ignored bad PDB record found on line 164367
ATOM 2820e H2 WAT X9618 59.894 77.964 88.911 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 28210
Duplicate atom serial number found: 28211
Duplicate atom serial number found: 28212
Duplicate atom serial number found: 28213
Ignored bad PDB record found on line 164373
ATOM 28214 O WAT X961a 52.348 93.821 97.939 0.00 0.00 O
Ignored bad PDB record found on line 164374
ATOM 28215 H1 WAT X961a 52.597 94.647 97.804 0.00 0.00 H
Ignored bad PDB record found on line 164375
ATOM 28216 H2 WAT X961a 51.534 93.799 97.624 0.00 0.00 H
Ignored bad PDB record found on line 164376
ATOM 28217 EPW WAT X961a 52.264 93.940 97.872 0.00 0.00
Ignored bad PDB record found on line 164377
ATOM 28218 O WAT X961b 64.807 69.475 126.887 0.00 0.00 O
23 messages similar to the above omitted
Duplicate atom serial number found: 28230
Duplicate atom serial number found: 28231
Duplicate atom serial number found: 28232
Duplicate atom serial number found: 28233
Duplicate atom serial number found: 28234
5 messages similar to the above omitted
Ignored bad PDB record found on line 164411
ATOM 2823a H2 WAT X9623 32.068 40.987 99.365 0.00 0.00 H
Ignored bad PDB record found on line 164412
ATOM 2823b EPW WAT X9623 32.672 40.493 99.442 0.00 0.00
Ignored bad PDB record found on line 164413
ATOM 2823c O WAT X9624 47.247 73.675 90.228 0.00 0.00 O
Ignored bad PDB record found on line 164414
ATOM 2823d H1 WAT X9624 46.413 73.880 90.075 0.00 0.00 H
Ignored bad PDB record found on line 164415
ATOM 2823e H2 WAT X9624 47.275 73.563 91.093 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 28240
Duplicate atom serial number found: 28241
Duplicate atom serial number found: 28242
Duplicate atom serial number found: 28243
Duplicate atom serial number found: 28244
5 messages similar to the above omitted
Ignored bad PDB record found on line 164427
ATOM 2824a H2 WAT X9627 61.308 95.512 6.268 0.00 0.00 H
Ignored bad PDB record found on line 164428
ATOM 2824b EPW WAT X9627 62.051 95.622 6.043 0.00 0.00
Ignored bad PDB record found on line 164429
ATOM 2824c O WAT X9628 63.484 55.395 94.084 0.00 0.00 O
Ignored bad PDB record found on line 164430
ATOM 2824d H1 WAT X9628 63.228 56.104 93.645 0.00 0.00 H
Ignored bad PDB record found on line 164431
ATOM 2824e H2 WAT X9628 64.353 55.410 94.009 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 28250
Duplicate atom serial number found: 28251
Duplicate atom serial number found: 28252
Duplicate atom serial number found: 28253
Ignored bad PDB record found on line 164437
ATOM 28254 O WAT X962a 50.665 63.658 110.878 0.00 0.00 O
Ignored bad PDB record found on line 164438
ATOM 28255 H1 WAT X962a 50.414 64.081 111.599 0.00 0.00 H
Ignored bad PDB record found on line 164439
ATOM 28256 H2 WAT X962a 51.485 63.930 110.756 0.00 0.00 H
Ignored bad PDB record found on line 164440
ATOM 28257 EPW WAT X962a 50.749 63.761 110.966 0.00 0.00
Ignored bad PDB record found on line 164441
ATOM 28258 O WAT X962b 50.957 77.041 91.355 0.00 0.00 O
23 messages similar to the above omitted
Duplicate atom serial number found: 28270
Duplicate atom serial number found: 28271
Duplicate atom serial number found: 28272
Duplicate atom serial number found: 28273
Duplicate atom serial number found: 28274
5 messages similar to the above omitted
Ignored bad PDB record found on line 164475
ATOM 2827a H2 WAT X9633 13.296 66.350 91.710 0.00 0.00 H
Ignored bad PDB record found on line 164476
ATOM 2827b EPW WAT X9633 12.767 66.423 92.284 0.00 0.00
Ignored bad PDB record found on line 164477
ATOM 2827c O WAT X9634 66.621 55.568 83.399 0.00 0.00 O
Ignored bad PDB record found on line 164478
ATOM 2827d H1 WAT X9634 67.121 56.157 83.803 0.00 0.00 H
Ignored bad PDB record found on line 164479
ATOM 2827e H2 WAT X9634 66.194 56.038 82.801 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 28280
Duplicate atom serial number found: 28281
Duplicate atom serial number found: 28282
Duplicate atom serial number found: 28283
Duplicate atom serial number found: 28284
5 messages similar to the above omitted
Ignored bad PDB record found on line 164491
ATOM 2828a H2 WAT X9637 46.913 40.801 114.183 0.00 0.00 H
Ignored bad PDB record found on line 164492
ATOM 2828b EPW WAT X9637 47.551 40.984 113.765 0.00 0.00
Ignored bad PDB record found on line 164493
ATOM 2828c O WAT X9638 61.607 59.835 92.222 0.00 0.00 O
Ignored bad PDB record found on line 164494
ATOM 2828d H1 WAT X9638 61.557 60.213 91.437 0.00 0.00 H
Ignored bad PDB record found on line 164495
ATOM 2828e H2 WAT X9638 60.782 59.844 92.507 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 28290
Duplicate atom serial number found: 28291
Duplicate atom serial number found: 28292
Duplicate atom serial number found: 28293
Ignored bad PDB record found on line 164501
ATOM 28294 O WAT X963a 62.709 85.232 85.433 0.00 0.00 O
Ignored bad PDB record found on line 164502
ATOM 28295 H1 WAT X963a 62.336 84.876 84.729 0.00 0.00 H
Ignored bad PDB record found on line 164503
ATOM 28296 H2 WAT X963a 62.375 86.037 85.458 0.00 0.00 H
Ignored bad PDB record found on line 164504
ATOM 28297 EPW WAT X963a 62.604 85.298 85.333 0.00 0.00
Ignored bad PDB record found on line 164505
ATOM 28298 O WAT X963b 59.938 59.806 117.692 0.00 0.00 O
103 messages similar to the above omitted
Duplicate atom serial number found: 28300
Duplicate atom serial number found: 28301
Duplicate atom serial number found: 28302
Duplicate atom serial number found: 28303
Duplicate atom serial number found: 28304
5 messages similar to the above omitted
Ignored bad PDB record found on line 164619
ATOM 2830a H2 WAT X9657 34.603 100.139 103.066 0.00 0.00 H
Ignored bad PDB record found on line 164620
ATOM 2830b EPW WAT X9657 34.925 99.655 103.592 0.00 0.00
Ignored bad PDB record found on line 164621
ATOM 2830c O WAT X9658 27.525 76.559 94.306 0.00 0.00 O
Ignored bad PDB record found on line 164622
ATOM 2830d H1 WAT X9658 27.598 77.420 94.187 0.00 0.00 H
Ignored bad PDB record found on line 164623
ATOM 2830e H2 WAT X9658 26.666 76.437 94.400 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 28310
Duplicate atom serial number found: 28311
Duplicate atom serial number found: 28312
Duplicate atom serial number found: 28313
Ignored bad PDB record found on line 164629
ATOM 28314 O WAT X965a 49.431 89.755 124.560 0.00 0.00 O
Ignored bad PDB record found on line 164630
ATOM 28315 H1 WAT X965a 49.072 90.521 124.771 0.00 0.00 H
Ignored bad PDB record found on line 164631
ATOM 28316 H2 WAT X965a 48.879 89.425 123.971 0.00 0.00 H
Ignored bad PDB record found on line 164632
ATOM 28317 EPW WAT X965a 49.297 89.819 124.504 0.00 0.00
Ignored bad PDB record found on line 164633
ATOM 28318 O WAT X965b 44.088 32.987 89.196 0.00 0.00 O
23 messages similar to the above omitted
Duplicate atom serial number found: 28330
Duplicate atom serial number found: 28331
Duplicate atom serial number found: 28332
Duplicate atom serial number found: 28333
Duplicate atom serial number found: 28334
5 messages similar to the above omitted
Ignored bad PDB record found on line 164667
ATOM 2833a H2 WAT X9663 48.227 66.813 108.270 0.00 0.00 H
Ignored bad PDB record found on line 164668
ATOM 2833b EPW WAT X9663 48.847 66.339 108.344 0.00 0.00
Ignored bad PDB record found on line 164669
ATOM 2833c O WAT X9664 46.943 89.734 84.889 0.00 0.00 O
Ignored bad PDB record found on line 164670
ATOM 2833d H1 WAT X9664 46.605 88.941 84.753 0.00 0.00 H
Ignored bad PDB record found on line 164671
ATOM 2833e H2 WAT X9664 47.556 89.804 84.272 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 28340
Duplicate atom serial number found: 28341
Duplicate atom serial number found: 28342
Duplicate atom serial number found: 28343
Duplicate atom serial number found: 28344
5 messages similar to the above omitted
Ignored bad PDB record found on line 164683
ATOM 2834a H2 WAT X9667 63.034 88.090 100.644 0.00 0.00 H
Ignored bad PDB record found on line 164684
ATOM 2834b EPW WAT X9667 62.617 88.711 100.411 0.00 0.00
Ignored bad PDB record found on line 164685
ATOM 2834c O WAT X9668 64.518 79.470 80.717 0.00 0.00 O
Ignored bad PDB record found on line 164686
ATOM 2834d H1 WAT X9668 63.759 79.840 80.935 0.00 0.00 H
Ignored bad PDB record found on line 164687
ATOM 2834e H2 WAT X9668 64.996 80.138 80.424 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 28350
Duplicate atom serial number found: 28351
Duplicate atom serial number found: 28352
Duplicate atom serial number found: 28353
Ignored bad PDB record found on line 164693
ATOM 28354 O WAT X966a 64.510 57.007 84.889 0.00 0.00 O
Ignored bad PDB record found on line 164694
ATOM 28355 H1 WAT X966a 64.770 56.176 84.838 0.00 0.00 H
Ignored bad PDB record found on line 164695
ATOM 28356 H2 WAT X966a 65.154 57.448 84.499 0.00 0.00 H
Ignored bad PDB record found on line 164696
ATOM 28357 EPW WAT X966a 64.644 56.950 84.824 0.00 0.00
Ignored bad PDB record found on line 164697
ATOM 28358 O WAT X966b 55.463 58.121 110.030 0.00 0.00 O
23 messages similar to the above omitted
Duplicate atom serial number found: 28370
Duplicate atom serial number found: 28371
Duplicate atom serial number found: 28372
Duplicate atom serial number found: 28373
Duplicate atom serial number found: 28374
5 messages similar to the above omitted
Ignored bad PDB record found on line 164731
ATOM 2837a H2 WAT X9673 63.519 72.665 96.074 0.00 0.00 H
Ignored bad PDB record found on line 164732
ATOM 2837b EPW WAT X9673 64.014 72.057 96.061 0.00 0.00
Ignored bad PDB record found on line 164733
ATOM 2837c O WAT X9674 61.855 70.757 77.099 0.00 0.00 O
Ignored bad PDB record found on line 164734
ATOM 2837d H1 WAT X9674 62.426 70.906 76.457 0.00 0.00 H
Ignored bad PDB record found on line 164735
ATOM 2837e H2 WAT X9674 61.119 70.553 76.676 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 28380
Duplicate atom serial number found: 28381
Duplicate atom serial number found: 28382
Duplicate atom serial number found: 28383
Duplicate atom serial number found: 28384
5 messages similar to the above omitted
Ignored bad PDB record found on line 164747
ATOM 2838a H2 WAT X9677 56.067 67.278 89.258 0.00 0.00 H
Ignored bad PDB record found on line 164748
ATOM 2838b EPW WAT X9677 56.053 68.000 89.564 0.00 0.00
Ignored bad PDB record found on line 164749
ATOM 2838c O WAT X9678 26.241 46.356 128.193 0.00 0.00 O
Ignored bad PDB record found on line 164750
ATOM 2838d H1 WAT X9678 26.401 46.052 127.391 0.00 0.00 H
Ignored bad PDB record found on line 164751
ATOM 2838e H2 WAT X9678 26.965 46.801 128.391 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 28390
Duplicate atom serial number found: 28391
Duplicate atom serial number found: 28392
Duplicate atom serial number found: 28393
Ignored bad PDB record found on line 164757
ATOM 28394 O WAT X967a 65.837 50.265 85.559 0.00 0.00 O
Ignored bad PDB record found on line 164758
ATOM 28395 H1 WAT X967a 65.293 50.930 85.409 0.00 0.00 H
Ignored bad PDB record found on line 164759
ATOM 28396 H2 WAT X967a 66.545 50.470 85.091 0.00 0.00 H
Ignored bad PDB record found on line 164760
ATOM 28397 EPW WAT X967a 65.861 50.393 85.468 0.00 0.00
Ignored bad PDB record found on line 164761
ATOM 28398 O WAT X967b 58.942 73.184 91.526 0.00 0.00 O
103 messages similar to the above omitted
Duplicate atom serial number found: 28400
Duplicate atom serial number found: 28401
Duplicate atom serial number found: 28402
Duplicate atom serial number found: 28403
Duplicate atom serial number found: 28404
5 messages similar to the above omitted
Ignored bad PDB record found on line 164875
ATOM 2840a H2 WAT X9697 109.544 88.503 22.432 0.00 0.00 H
Ignored bad PDB record found on line 164876
ATOM 2840b EPW WAT X9697 109.224 89.213 22.520 0.00 0.00
Ignored bad PDB record found on line 164877
ATOM 2840c O WAT X9698 18.579 51.925 16.349 0.00 0.00 O
Ignored bad PDB record found on line 164878
ATOM 2840d H1 WAT X9698 19.107 51.506 16.904 0.00 0.00 H
Ignored bad PDB record found on line 164879
ATOM 2840e H2 WAT X9698 18.946 51.782 15.570 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 28410
Duplicate atom serial number found: 28411
Duplicate atom serial number found: 28412
Duplicate atom serial number found: 28413
Ignored bad PDB record found on line 164885
ATOM 28414 O WAT X969a 26.774 75.138 21.231 0.00 0.00 O
Ignored bad PDB record found on line 164886
ATOM 28415 H1 WAT X969a 27.488 75.371 21.675 0.00 0.00 H
Ignored bad PDB record found on line 164887
ATOM 28416 H2 WAT X969a 26.511 75.882 20.860 0.00 0.00 H
Ignored bad PDB record found on line 164888
ATOM 28417 EPW WAT X969a 26.840 75.282 21.242 0.00 0.00
Ignored bad PDB record found on line 164889
ATOM 28418 O WAT X969b 49.420 74.179 45.193 0.00 0.00 O
487 messages similar to the above omitted
Duplicate atom serial number found: 28600
Duplicate atom serial number found: 28601
Duplicate atom serial number found: 28602
Duplicate atom serial number found: 28603
Duplicate atom serial number found: 28604
5 messages similar to the above omitted
Ignored bad PDB record found on line 165387
ATOM 2860a H2 WAT X9717 80.376 102.062 45.166 0.00 0.00 H
Ignored bad PDB record found on line 165388
ATOM 2860b EPW WAT X9717 80.698 101.352 45.091 0.00 0.00
Ignored bad PDB record found on line 165389
ATOM 2860c O WAT X9718 52.044 107.108 34.059 0.00 0.00 O
Ignored bad PDB record found on line 165390
ATOM 2860d H1 WAT X9718 52.524 107.056 33.332 0.00 0.00 H
Ignored bad PDB record found on line 165391
ATOM 2860e H2 WAT X9718 51.358 106.597 33.889 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 28610
Duplicate atom serial number found: 28611
Duplicate atom serial number found: 28612
Duplicate atom serial number found: 28613
Ignored bad PDB record found on line 165397
ATOM 28614 O WAT X971a 38.303 67.639 34.397 0.00 0.00 O
Ignored bad PDB record found on line 165398
ATOM 28615 H1 WAT X971a 38.089 68.334 34.879 0.00 0.00 H
Ignored bad PDB record found on line 165399
ATOM 28616 H2 WAT X971a 38.766 67.144 34.946 0.00 0.00 H
Ignored bad PDB record found on line 165400
ATOM 28617 EPW WAT X971a 38.340 67.669 34.549 0.00 0.00
Ignored bad PDB record found on line 165401
ATOM 28618 O WAT X971b 63.815 71.571 32.743 0.00 0.00 O
23 messages similar to the above omitted
Duplicate atom serial number found: 28630
Duplicate atom serial number found: 28631
Duplicate atom serial number found: 28632
Duplicate atom serial number found: 28633
Duplicate atom serial number found: 28634
5 messages similar to the above omitted
Ignored bad PDB record found on line 165435
ATOM 2863a H2 WAT X9723 75.062 62.596 7.138 0.00 0.00 H
Ignored bad PDB record found on line 165436
ATOM 2863b EPW WAT X9723 74.487 63.074 7.375 0.00 0.00
Ignored bad PDB record found on line 165437
ATOM 2863c O WAT X9724 109.002 91.673 37.974 0.00 0.00 O
Ignored bad PDB record found on line 165438
ATOM 2863d H1 WAT X9724 109.005 90.801 37.943 0.00 0.00 H
Ignored bad PDB record found on line 165439
ATOM 2863e H2 WAT X9724 108.373 91.896 37.413 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 28640
Duplicate atom serial number found: 28641
Duplicate atom serial number found: 28642
Duplicate atom serial number found: 28643
Duplicate atom serial number found: 28644
5 messages similar to the above omitted
Ignored bad PDB record found on line 165451
ATOM 2864a H2 WAT X9727 38.752 73.085 28.956 0.00 0.00 H
Ignored bad PDB record found on line 165452
ATOM 2864b EPW WAT X9727 39.422 72.882 29.308 0.00 0.00
Ignored bad PDB record found on line 165453
ATOM 2864c O WAT X9728 55.299 69.101 28.434 0.00 0.00 O
Ignored bad PDB record found on line 165454
ATOM 2864d H1 WAT X9728 55.420 69.961 28.521 0.00 0.00 H
Ignored bad PDB record found on line 165455
ATOM 2864e H2 WAT X9728 55.760 68.762 29.092 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 28650
Duplicate atom serial number found: 28651
Duplicate atom serial number found: 28652
Duplicate atom serial number found: 28653
Ignored bad PDB record found on line 165461
ATOM 28654 O WAT X972a 31.344 50.376 32.268 0.00 0.00 O
Ignored bad PDB record found on line 165462
ATOM 28655 H1 WAT X972a 30.578 50.090 31.962 0.00 0.00 H
Ignored bad PDB record found on line 165463
ATOM 28656 H2 WAT X972a 31.155 51.165 32.589 0.00 0.00 H
Ignored bad PDB record found on line 165464
ATOM 28657 EPW WAT X972a 31.203 50.450 32.270 0.00 0.00
Ignored bad PDB record found on line 165465
ATOM 28658 O WAT X972b 61.828 70.055 28.606 0.00 0.00 O
23 messages similar to the above omitted
Duplicate atom serial number found: 28670
Duplicate atom serial number found: 28671
Duplicate atom serial number found: 28672
Duplicate atom serial number found: 28673
Duplicate atom serial number found: 28674
5 messages similar to the above omitted
Ignored bad PDB record found on line 165499
ATOM 2867a H2 WAT X9733 14.002 77.310 29.106 0.00 0.00 H
Ignored bad PDB record found on line 165500
ATOM 2867b EPW WAT X9733 13.375 77.190 29.562 0.00 0.00
Ignored bad PDB record found on line 165501
ATOM 2867c O WAT X9734 61.226 51.993 25.133 0.00 0.00 O
Ignored bad PDB record found on line 165502
ATOM 2867d H1 WAT X9734 61.857 52.527 25.411 0.00 0.00 H
Ignored bad PDB record found on line 165503
ATOM 2867e H2 WAT X9734 60.503 52.476 25.201 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 28680
Duplicate atom serial number found: 28681
Duplicate atom serial number found: 28682
Duplicate atom serial number found: 28683
Duplicate atom serial number found: 28684
5 messages similar to the above omitted
Ignored bad PDB record found on line 165515
ATOM 2868a H2 WAT X9737 68.808 110.504 11.191 0.00 0.00 H
Ignored bad PDB record found on line 165516
ATOM 2868b EPW WAT X9737 68.206 110.997 11.095 0.00 0.00
Ignored bad PDB record found on line 165517
ATOM 2868c O WAT X9738 70.916 57.908 107.191 0.00 0.00 O
Ignored bad PDB record found on line 165518
ATOM 2868d H1 WAT X9738 70.977 58.111 106.345 0.00 0.00 H
Ignored bad PDB record found on line 165519
ATOM 2868e H2 WAT X9738 71.182 58.634 107.596 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 28690
Duplicate atom serial number found: 28691
Duplicate atom serial number found: 28692
Duplicate atom serial number found: 28693
Ignored bad PDB record found on line 165525
ATOM 28694 O WAT X973a 66.584 99.631 28.989 0.00 0.00 O
Ignored bad PDB record found on line 165526
ATOM 28695 H1 WAT X973a 66.504 100.440 29.307 0.00 0.00 H
Ignored bad PDB record found on line 165527
ATOM 28696 H2 WAT X973a 65.902 99.208 29.333 0.00 0.00 H
Ignored bad PDB record found on line 165528
ATOM 28697 EPW WAT X973a 66.471 99.688 29.087 0.00 0.00
Ignored bad PDB record found on line 165529
ATOM 28698 O WAT X973b 83.204 59.114 124.669 0.00 0.00 O
103 messages similar to the above omitted
Duplicate atom serial number found: 28700
Duplicate atom serial number found: 28701
Duplicate atom serial number found: 28702
Duplicate atom serial number found: 28703
Duplicate atom serial number found: 28704
5 messages similar to the above omitted
Ignored bad PDB record found on line 165643
ATOM 2870a H2 WAT X9757 69.809 72.710 36.569 0.00 0.00 H
Ignored bad PDB record found on line 165644
ATOM 2870b EPW WAT X9757 69.457 73.355 36.839 0.00 0.00
Ignored bad PDB record found on line 165645
ATOM 2870c O WAT X9758 78.148 94.166 32.706 0.00 0.00 O
Ignored bad PDB record found on line 165646
ATOM 2870d H1 WAT X9758 78.431 93.352 32.842 0.00 0.00 H
Ignored bad PDB record found on line 165647
ATOM 2870e H2 WAT X9758 78.881 94.638 32.685 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 28710
Duplicate atom serial number found: 28711
Duplicate atom serial number found: 28712
Duplicate atom serial number found: 28713
Ignored bad PDB record found on line 165653
ATOM 28714 O WAT X975a 36.762 106.866 37.610 0.00 0.00 O
Ignored bad PDB record found on line 165654
ATOM 28715 H1 WAT X975a 36.462 106.929 38.427 0.00 0.00 H
Ignored bad PDB record found on line 165655
ATOM 28716 H2 WAT X975a 37.527 107.283 37.639 0.00 0.00 H
Ignored bad PDB record found on line 165656
ATOM 28717 EPW WAT X975a 36.831 106.937 37.735 0.00 0.00
Ignored bad PDB record found on line 165657
ATOM 28718 O WAT X975b 42.146 81.083 48.751 0.00 0.00 O
23 messages similar to the above omitted
Duplicate atom serial number found: 28730
Duplicate atom serial number found: 28731
Duplicate atom serial number found: 28732
Duplicate atom serial number found: 28733
Duplicate atom serial number found: 28734
5 messages similar to the above omitted
Ignored bad PDB record found on line 165691
ATOM 2873a H2 WAT X9763 57.856 88.919 26.461 0.00 0.00 H
Ignored bad PDB record found on line 165692
ATOM 2873b EPW WAT X9763 58.237 88.266 26.253 0.00 0.00
Ignored bad PDB record found on line 165693
ATOM 2873c O WAT X9764 65.647 76.962 5.418 0.00 0.00 O
Ignored bad PDB record found on line 165694
ATOM 2873d H1 WAT X9764 65.492 77.155 6.254 0.00 0.00 H
Ignored bad PDB record found on line 165695
ATOM 2873e H2 WAT X9764 66.376 76.484 5.450 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 28740
Duplicate atom serial number found: 28741
Duplicate atom serial number found: 28742
Duplicate atom serial number found: 28743
Duplicate atom serial number found: 28744
5 messages similar to the above omitted
Ignored bad PDB record found on line 165707
ATOM 2874a H2 WAT X9767 90.622 58.300 12.305 0.00 0.00 H
Ignored bad PDB record found on line 165708
ATOM 2874b EPW WAT X9767 90.739 57.669 12.755 0.00 0.00
Ignored bad PDB record found on line 165709
ATOM 2874c O WAT X9768 64.381 83.614 40.006 0.00 0.00 O
Ignored bad PDB record found on line 165710
ATOM 2874d H1 WAT X9768 64.182 84.391 40.348 0.00 0.00 H
Ignored bad PDB record found on line 165711
ATOM 2874e H2 WAT X9768 63.605 83.280 39.791 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 28750
Duplicate atom serial number found: 28751
Duplicate atom serial number found: 28752
Duplicate atom serial number found: 28753
Ignored bad PDB record found on line 165717
ATOM 28754 O WAT X976a 77.437 68.169 13.650 0.00 0.00 O
Ignored bad PDB record found on line 165718
ATOM 28755 H1 WAT X976a 76.641 68.500 13.788 0.00 0.00 H
Ignored bad PDB record found on line 165719
ATOM 28756 H2 WAT X976a 77.972 68.793 13.942 0.00 0.00 H
Ignored bad PDB record found on line 165720
ATOM 28757 EPW WAT X976a 77.398 68.310 13.713 0.00 0.00
Ignored bad PDB record found on line 165721
ATOM 28758 O WAT X976b 62.712 65.703 30.612 0.00 0.00 O
23 messages similar to the above omitted
Duplicate atom serial number found: 28770
Duplicate atom serial number found: 28771
Duplicate atom serial number found: 28772
Duplicate atom serial number found: 28773
Duplicate atom serial number found: 28774
5 messages similar to the above omitted
Ignored bad PDB record found on line 165755
ATOM 2877a H2 WAT X9773 53.510 87.945 42.495 0.00 0.00 H
Ignored bad PDB record found on line 165756
ATOM 2877b EPW WAT X9773 53.337 88.510 41.980 0.00 0.00
Ignored bad PDB record found on line 165757
ATOM 2877c O WAT X9774 79.775 74.464 12.304 0.00 0.00 O
Ignored bad PDB record found on line 165758
ATOM 2877d H1 WAT X9774 80.526 74.328 12.726 0.00 0.00 H
Ignored bad PDB record found on line 165759
ATOM 2877e H2 WAT X9774 79.194 74.007 12.767 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 28780
Duplicate atom serial number found: 28781
Duplicate atom serial number found: 28782
Duplicate atom serial number found: 28783
Duplicate atom serial number found: 28784
5 messages similar to the above omitted
Ignored bad PDB record found on line 165771
ATOM 2878a H2 WAT X9777 35.796 96.778 38.054 0.00 0.00 H
Ignored bad PDB record found on line 165772
ATOM 2878b EPW WAT X9777 35.474 97.007 38.731 0.00 0.00
Ignored bad PDB record found on line 165773
ATOM 2878c O WAT X9778 62.179 58.686 21.515 0.00 0.00 O
Ignored bad PDB record found on line 165774
ATOM 2878d H1 WAT X9778 62.949 58.401 21.220 0.00 0.00 H
Ignored bad PDB record found on line 165775
ATOM 2878e H2 WAT X9778 62.287 59.550 21.570 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 28790
Duplicate atom serial number found: 28791
Duplicate atom serial number found: 28792
Duplicate atom serial number found: 28793
Ignored bad PDB record found on line 165781
ATOM 28794 O WAT X977a 57.247 57.443 28.533 0.00 0.00 O
Ignored bad PDB record found on line 165782
ATOM 28795 H1 WAT X977a 56.418 57.510 28.796 0.00 0.00 H
Ignored bad PDB record found on line 165783
ATOM 28796 H2 WAT X977a 57.303 56.625 28.236 0.00 0.00 H
Ignored bad PDB record found on line 165784
ATOM 28797 EPW WAT X977a 57.133 57.332 28.528 0.00 0.00
Ignored bad PDB record found on line 165785
ATOM 28798 O WAT X977b 19.867 91.210 27.958 0.00 0.00 O
103 messages similar to the above omitted
Duplicate atom serial number found: 28800
Duplicate atom serial number found: 28801
Duplicate atom serial number found: 28802
Duplicate atom serial number found: 28803
Duplicate atom serial number found: 28804
5 messages similar to the above omitted
Ignored bad PDB record found on line 165899
ATOM 2880a H2 WAT X9797 64.483 61.992 128.193 0.00 0.00 H
Ignored bad PDB record found on line 165900
ATOM 2880b EPW WAT X9797 64.350 62.366 127.518 0.00 0.00
Ignored bad PDB record found on line 165901
ATOM 2880c O WAT X9798 45.212 71.018 113.848 0.00 0.00 O
Ignored bad PDB record found on line 165902
ATOM 2880d H1 WAT X9798 45.314 71.764 114.288 0.00 0.00 H
Ignored bad PDB record found on line 165903
ATOM 2880e H2 WAT X9798 44.419 70.744 114.090 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 28810
Duplicate atom serial number found: 28811
Duplicate atom serial number found: 28812
Duplicate atom serial number found: 28813
Ignored bad PDB record found on line 165909
ATOM 28814 O WAT X979a 71.489 37.445 23.039 0.00 0.00 O
Ignored bad PDB record found on line 165910
ATOM 28815 H1 WAT X979a 71.908 37.164 23.751 0.00 0.00 H
Ignored bad PDB record found on line 165911
ATOM 28816 H2 WAT X979a 71.182 38.226 23.277 0.00 0.00 H
Ignored bad PDB record found on line 165912
ATOM 28817 EPW WAT X979a 71.506 37.519 23.179 0.00 0.00
Ignored bad PDB record found on line 165913
ATOM 28818 O WAT X979b 71.930 100.895 30.506 0.00 0.00 O
2023 messages similar to the above omitted
Duplicate atom serial number found: 29000
Duplicate atom serial number found: 29001
Duplicate atom serial number found: 29002
Duplicate atom serial number found: 29003
Duplicate atom serial number found: 29004
5 messages similar to the above omitted
Ignored bad PDB record found on line 167947
ATOM 2900a H2 WAT X9997 59.292 45.635 91.897 0.00 0.00 H
Ignored bad PDB record found on line 167948
ATOM 2900b EPW WAT X9997 58.780 45.119 91.606 0.00 0.00
Ignored bad PDB record found on line 167949
ATOM 2900c O WAT X9998 55.215 55.968 93.125 0.00 0.00 O
Ignored bad PDB record found on line 167950
ATOM 2900d H1 WAT X9998 54.493 55.896 93.610 0.00 0.00 H
Ignored bad PDB record found on line 167951
ATOM 2900e H2 WAT X9998 55.452 56.801 93.234 0.00 0.00 H
1 messages similar to the above omitted
Duplicate atom serial number found: 29010
Duplicate atom serial number found: 29011
Duplicate atom serial number found: 29012
Duplicate atom serial number found: 29013
Ignored bad PDB record found on line 167957
ATOM 29014 O WAT X999a 37.253 62.719 117.258 0.00 0.00 O
Ignored bad PDB record found on line 167958
ATOM 29015 H1 WAT X999a 36.740 62.209 117.746 0.00 0.00 H
Ignored bad PDB record found on line 167959
ATOM 29016 H2 WAT X999a 38.058 62.437 117.443 0.00 0.00 H
Ignored bad PDB record found on line 167960
ATOM 29017 EPW WAT X999a 37.296 62.602 117.358 0.00 0.00
Ignored bad PDB record found on line 167961
ATOM 29018 O WAT X999b 32.417 66.067 91.023 0.00 0.00 O
118983 messages similar to the above omitted
Chain information for BORF2_a3b_monomer_min_eq.pdb #21
---
Chain | Description
X | No description available
Computing secondary structure
> hide #20 models
> close #20
> close #19
> close #10
> close #11
> close #12
> close #13
> close #17
> close #18
> close #16
> close #15
> close #14
> view #21 clip false
> open
> /Users/claremorris/GradSchool/Research/Apobec/BORF/metadynamics/sim1_borf2_a3b_monomer_metadynamics_rep1_dry.nc
Specified structure has 64369 atoms whereas the coordinates are for 14458
atoms
> close #21
> open
> /Users/claremorris/GradSchool/Research/Apobec/BORF/metadynamics/BORF2_a3b_monomer_dry.pdb
Chain information for BORF2_a3b_monomer_dry.pdb #10
---
Chain | Description
X | No description available
Computing secondary structure
> close #10
> open
> /Users/claremorris/GradSchool/Research/Apobec/BORF/metadynamics/BORF2_a3b_monomer_dry.pdb
Chain information for BORF2_a3b_monomer_dry.pdb #10
---
Chain | Description
X | No description available
Computing secondary structure
> select clear
> open
> /Users/claremorris/GradSchool/Research/Apobec/BORF/metadynamics/sim1_borf2_a3b_monomer_metadynamics_rep1_dry.nc
Replaced existing frames of BORF2_a3b_monomer_dry.pdb #10 with 6000 new frames
> surface #10
> hide #!10 surfaces
> color #!10 bychain
Traceback (most recent call last):
File
"/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/triggerset.py", line 149, in invoke
return self._func(self._name, data)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/seq_view/seq_canvas.py", line 1894, in update_swatches
block._colorize_label(aseq)
File
"/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/seq_view/seq_canvas.py", line 1947, in _colorize_label
if struct.overall_color is not None:
^^^^^^^^^^^^^^^^^^^^
AttributeError: 'NoneType' object has no attribute 'overall_color'
Error processing trigger "changes done":
AttributeError: 'NoneType' object has no attribute 'overall_color'
File
"/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/seq_view/seq_canvas.py", line 1947, in _colorize_label
if struct.overall_color is not None:
^^^^^^^^^^^^^^^^^^^^
See log for complete Python traceback.
> show #!10 surfaces
> hide #!10 surfaces
> show #5.3 models
Traceback (most recent call last):
File
"/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/triggerset.py", line 149, in invoke
return self._func(self._name, data)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/seq_view/seq_canvas.py", line 1894, in update_swatches
block._colorize_label(aseq)
File
"/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/seq_view/seq_canvas.py", line 1947, in _colorize_label
if struct.overall_color is not None:
^^^^^^^^^^^^^^^^^^^^
AttributeError: 'NoneType' object has no attribute 'overall_color'
Error processing trigger "changes done":
AttributeError: 'NoneType' object has no attribute 'overall_color'
File
"/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/seq_view/seq_canvas.py", line 1947, in _colorize_label
if struct.overall_color is not None:
^^^^^^^^^^^^^^^^^^^^
See log for complete Python traceback.
> show #!6 models
Traceback (most recent call last):
File
"/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/triggerset.py", line 149, in invoke
return self._func(self._name, data)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/seq_view/seq_canvas.py", line 1894, in update_swatches
block._colorize_label(aseq)
File
"/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/seq_view/seq_canvas.py", line 1947, in _colorize_label
if struct.overall_color is not None:
^^^^^^^^^^^^^^^^^^^^
AttributeError: 'NoneType' object has no attribute 'overall_color'
Error processing trigger "changes done":
AttributeError: 'NoneType' object has no attribute 'overall_color'
File
"/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/seq_view/seq_canvas.py", line 1947, in _colorize_label
if struct.overall_color is not None:
^^^^^^^^^^^^^^^^^^^^
See log for complete Python traceback.
Drag select of 11 residues
Traceback (most recent call last):
File
"/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/triggerset.py", line 149, in invoke
return self._func(self._name, data)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/seq_view/seq_canvas.py", line 1894, in update_swatches
block._colorize_label(aseq)
File
"/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/seq_view/seq_canvas.py", line 1947, in _colorize_label
if struct.overall_color is not None:
^^^^^^^^^^^^^^^^^^^^
AttributeError: 'NoneType' object has no attribute 'overall_color'
Error processing trigger "changes done":
AttributeError: 'NoneType' object has no attribute 'overall_color'
File
"/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/seq_view/seq_canvas.py", line 1947, in _colorize_label
if struct.overall_color is not None:
^^^^^^^^^^^^^^^^^^^^
See log for complete Python traceback.
> show #!8 models
Traceback (most recent call last):
File
"/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/triggerset.py", line 149, in invoke
return self._func(self._name, data)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/seq_view/seq_canvas.py", line 1894, in update_swatches
block._colorize_label(aseq)
File
"/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/seq_view/seq_canvas.py", line 1947, in _colorize_label
if struct.overall_color is not None:
^^^^^^^^^^^^^^^^^^^^
AttributeError: 'NoneType' object has no attribute 'overall_color'
Error processing trigger "changes done":
AttributeError: 'NoneType' object has no attribute 'overall_color'
File
"/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/seq_view/seq_canvas.py", line 1947, in _colorize_label
if struct.overall_color is not None:
^^^^^^^^^^^^^^^^^^^^
See log for complete Python traceback.
> hide #5.3 models
Traceback (most recent call last):
File
"/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/triggerset.py", line 149, in invoke
return self._func(self._name, data)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/seq_view/seq_canvas.py", line 1894, in update_swatches
block._colorize_label(aseq)
File
"/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/seq_view/seq_canvas.py", line 1947, in _colorize_label
if struct.overall_color is not None:
^^^^^^^^^^^^^^^^^^^^
AttributeError: 'NoneType' object has no attribute 'overall_color'
Error processing trigger "changes done":
AttributeError: 'NoneType' object has no attribute 'overall_color'
File
"/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/seq_view/seq_canvas.py", line 1947, in _colorize_label
if struct.overall_color is not None:
^^^^^^^^^^^^^^^^^^^^
See log for complete Python traceback.
> close #5
Traceback (most recent call last):
File
"/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/triggerset.py", line 149, in invoke
return self._func(self._name, data)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/seq_view/seq_canvas.py", line 1894, in update_swatches
block._colorize_label(aseq)
File
"/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/seq_view/seq_canvas.py", line 1947, in _colorize_label
if struct.overall_color is not None:
^^^^^^^^^^^^^^^^^^^^
AttributeError: 'NoneType' object has no attribute 'overall_color'
Error processing trigger "changes done":
AttributeError: 'NoneType' object has no attribute 'overall_color'
File
"/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/seq_view/seq_canvas.py", line 1947, in _colorize_label
if struct.overall_color is not None:
^^^^^^^^^^^^^^^^^^^^
See log for complete Python traceback.
Traceback (most recent call last):
File
"/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/triggerset.py", line 149, in invoke
return self._func(self._name, data)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/seq_view/seq_canvas.py", line 1894, in update_swatches
block._colorize_label(aseq)
File
"/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/seq_view/seq_canvas.py", line 1947, in _colorize_label
if struct.overall_color is not None:
^^^^^^^^^^^^^^^^^^^^
AttributeError: 'NoneType' object has no attribute 'overall_color'
Error processing trigger "changes done":
AttributeError: 'NoneType' object has no attribute 'overall_color'
File
"/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/seq_view/seq_canvas.py", line 1947, in _colorize_label
if struct.overall_color is not None:
^^^^^^^^^^^^^^^^^^^^
See log for complete Python traceback.
> hide #!10 models
Traceback (most recent call last):
File
"/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/triggerset.py", line 149, in invoke
return self._func(self._name, data)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/seq_view/seq_canvas.py", line 1894, in update_swatches
block._colorize_label(aseq)
File
"/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/seq_view/seq_canvas.py", line 1947, in _colorize_label
if struct.overall_color is not None:
^^^^^^^^^^^^^^^^^^^^
AttributeError: 'NoneType' object has no attribute 'overall_color'
Error processing trigger "changes done":
AttributeError: 'NoneType' object has no attribute 'overall_color'
File
"/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/seq_view/seq_canvas.py", line 1947, in _colorize_label
if struct.overall_color is not None:
^^^^^^^^^^^^^^^^^^^^
See log for complete Python traceback.
OpenGL version: 4.1 Metal - 89.3
OpenGL renderer: Apple M1
OpenGL vendor: Apple
Python: 3.11.4
Locale: UTF-8
Qt version: PyQt6 6.7.1, Qt 6.7.1
Qt runtime version: 6.7.3
Qt platform: cocoa
Hardware:
Hardware Overview:
Model Name: MacBook Pro
Model Identifier: MacBookPro17,1
Model Number: MYD92LL/A
Chip: Apple M1
Total Number of Cores: 8 (4 performance and 4 efficiency)
Memory: 8 GB
System Firmware Version: 11881.81.4
OS Loader Version: 11881.81.4
Software:
System Software Overview:
System Version: macOS 15.3.1 (24D70)
Kernel Version: Darwin 24.3.0
Time since boot: 45 days, 15 hours, 10 minutes
Graphics/Displays:
Apple M1:
Chipset Model: Apple M1
Type: GPU
Bus: Built-In
Total Number of Cores: 8
Vendor: Apple (0x106b)
Metal Support: Metal 3
Displays:
Sceptre F27:
Resolution: 1920 x 1080 (1080p FHD - Full High Definition)
UI Looks like: 1920 x 1080 @ 100.00Hz
Main Display: Yes
Mirror: Off
Online: Yes
Rotation: Supported
Installed Packages:
alabaster: 1.0.0
anyio: 4.7.0
appdirs: 1.4.4
appnope: 0.1.4
asttokens: 3.0.0
auditwheel: 6.1.0
autocommand: 2.2.2
babel: 2.16.0
backports.tarfile: 1.2.0
beautifulsoup4: 4.12.3
blockdiag: 3.0.0
blosc2: 3.0.0
build: 1.2.1
certifi: 2023.11.17
cftime: 1.6.4.post1
charset-normalizer: 3.4.0
ChimeraX-AddCharge: 1.5.18
ChimeraX-AddH: 2.2.6
ChimeraX-AlignmentAlgorithms: 2.0.2
ChimeraX-AlignmentHdrs: 3.5
ChimeraX-AlignmentMatrices: 2.1
ChimeraX-Alignments: 2.16.1
ChimeraX-AlphaFold: 1.0.1
ChimeraX-AltlocExplorer: 1.1.2
ChimeraX-AmberInfo: 1.0
ChimeraX-Arrays: 1.1
ChimeraX-Atomic: 1.58.8
ChimeraX-AtomicLibrary: 14.1.11
ChimeraX-AtomSearch: 2.0.1
ChimeraX-AxesPlanes: 2.4
ChimeraX-BasicActions: 1.1.2
ChimeraX-BILD: 1.0
ChimeraX-BlastProtein: 3.0.0
ChimeraX-BondRot: 2.0.4
ChimeraX-BugReporter: 1.0.1
ChimeraX-BuildStructure: 2.13.1
ChimeraX-Bumps: 1.0
ChimeraX-BundleBuilder: 1.4.0
ChimeraX-ButtonPanel: 1.0.1
ChimeraX-CageBuilder: 1.0.1
ChimeraX-CellPack: 1.0
ChimeraX-Centroids: 1.4
ChimeraX-ChangeChains: 1.1
ChimeraX-CheckWaters: 1.4
ChimeraX-ChemGroup: 2.0.1
ChimeraX-Clashes: 2.3
ChimeraX-ColorActions: 1.0.5
ChimeraX-ColorGlobe: 1.0
ChimeraX-ColorKey: 1.5.6
ChimeraX-CommandLine: 1.2.5
ChimeraX-ConnectStructure: 2.0.1
ChimeraX-Contacts: 1.0.1
ChimeraX-Core: 1.9
ChimeraX-CoreFormats: 1.2
ChimeraX-coulombic: 1.4.4
ChimeraX-Crosslinks: 1.0
ChimeraX-Crystal: 1.0
ChimeraX-CrystalContacts: 1.0.1
ChimeraX-DataFormats: 1.2.3
ChimeraX-Dicom: 1.2.6
ChimeraX-DistMonitor: 1.4.2
ChimeraX-DockPrep: 1.1.3
ChimeraX-Dssp: 2.0
ChimeraX-EMDB-SFF: 1.0
ChimeraX-ESMFold: 1.0
ChimeraX-FileHistory: 1.0.1
ChimeraX-FunctionKey: 1.0.1
ChimeraX-Geometry: 1.3
ChimeraX-gltf: 1.0
ChimeraX-Graphics: 1.4.1
ChimeraX-Hbonds: 2.5
ChimeraX-Help: 1.3
ChimeraX-HKCage: 1.3
ChimeraX-IHM: 1.1
ChimeraX-ImageFormats: 1.2
ChimeraX-IMOD: 1.0
ChimeraX-IO: 1.0.3
ChimeraX-ItemsInspection: 1.0.1
ChimeraX-IUPAC: 1.0
ChimeraX-KVFinder: 1.2.1
ChimeraX-Label: 1.1.14
ChimeraX-ListInfo: 1.2.2
ChimeraX-Log: 1.2
ChimeraX-LookingGlass: 1.1
ChimeraX-Maestro: 1.9.1
ChimeraX-Map: 1.3
ChimeraX-MapData: 2.0
ChimeraX-MapEraser: 1.0.1
ChimeraX-MapFilter: 2.0.1
ChimeraX-MapFit: 2.0
ChimeraX-MapSeries: 2.1.1
ChimeraX-Markers: 1.0.1
ChimeraX-Mask: 1.0.2
ChimeraX-MatchMaker: 2.1.6
ChimeraX-MCopy: 1.0
ChimeraX-MDcrds: 2.7.2
ChimeraX-MedicalToolbar: 1.1
ChimeraX-Meeting: 1.0.1
ChimeraX-MLP: 1.1.1
ChimeraX-mmCIF: 2.14.2
ChimeraX-MMTF: 2.2
ChimeraX-ModelArchive: 1.0
ChimeraX-Modeller: 1.5.18
ChimeraX-ModelPanel: 1.5
ChimeraX-ModelSeries: 1.0.1
ChimeraX-Mol2: 2.0.3
ChimeraX-Mole: 1.0
ChimeraX-Morph: 1.0.2
ChimeraX-MouseModes: 1.2
ChimeraX-Movie: 1.0
ChimeraX-MutationScores: 1.0
ChimeraX-Neuron: 1.0
ChimeraX-Nifti: 1.2
ChimeraX-NMRSTAR: 1.0.2
ChimeraX-NRRD: 1.2
ChimeraX-Nucleotides: 2.0.3
ChimeraX-OpenCommand: 1.14
ChimeraX-OrthoPick: 1.0.1
ChimeraX-PDB: 2.7.6
ChimeraX-PDBBio: 1.0.1
ChimeraX-PDBLibrary: 1.0.4
ChimeraX-PDBMatrices: 1.0
ChimeraX-PickBlobs: 1.0.1
ChimeraX-Positions: 1.0
ChimeraX-PresetMgr: 1.1.2
ChimeraX-PubChem: 2.2
ChimeraX-ReadPbonds: 1.0.1
ChimeraX-Registration: 1.1.2
ChimeraX-RemoteControl: 1.0
ChimeraX-RenderByAttr: 1.6.2
ChimeraX-RenumberResidues: 1.1
ChimeraX-ResidueFit: 1.0.1
ChimeraX-RestServer: 1.3.1
ChimeraX-RNALayout: 1.0
ChimeraX-RotamerLibMgr: 4.0
ChimeraX-RotamerLibsDunbrack: 2.0
ChimeraX-RotamerLibsDynameomics: 2.0
ChimeraX-RotamerLibsRichardson: 2.0
ChimeraX-SaveCommand: 1.5.1
ChimeraX-SchemeMgr: 1.0
ChimeraX-SDF: 2.0.2
ChimeraX-Segger: 1.0
ChimeraX-Segment: 1.0.1
ChimeraX-Segmentations: 3.5.6
ChimeraX-SelInspector: 1.0
ChimeraX-SeqView: 2.14
ChimeraX-Shape: 1.0.1
ChimeraX-Shell: 1.0.1
ChimeraX-Shortcuts: 1.2.0
ChimeraX-ShowSequences: 1.0.3
ChimeraX-SideView: 1.0.1
ChimeraX-SimilarStructures: 1.0.1
ChimeraX-Smiles: 2.1.2
ChimeraX-SmoothLines: 1.0
ChimeraX-SpaceNavigator: 1.0
ChimeraX-StdCommands: 1.18.1
ChimeraX-STL: 1.0.1
ChimeraX-Storm: 1.0
ChimeraX-StructMeasure: 1.2.1
ChimeraX-Struts: 1.0.1
ChimeraX-Surface: 1.0.1
ChimeraX-SwapAA: 2.0.1
ChimeraX-SwapRes: 2.5
ChimeraX-TapeMeasure: 1.0
ChimeraX-TaskManager: 1.0
ChimeraX-Test: 1.0
ChimeraX-Toolbar: 1.2.3
ChimeraX-ToolshedUtils: 1.2.4
ChimeraX-Topography: 1.0
ChimeraX-ToQuest: 1.0
ChimeraX-Tug: 1.0.1
ChimeraX-UI: 1.41
ChimeraX-Umap: 1.0
ChimeraX-uniprot: 2.3.1
ChimeraX-UnitCell: 1.0.1
ChimeraX-ViewDockX: 1.4.4
ChimeraX-VIPERdb: 1.0
ChimeraX-Vive: 1.1
ChimeraX-VolumeMenu: 1.0.1
ChimeraX-vrml: 1.0
ChimeraX-VTK: 1.0
ChimeraX-WavefrontOBJ: 1.0
ChimeraX-WebCam: 1.0.2
ChimeraX-WebServices: 1.1.4
ChimeraX-Zone: 1.0.1
colorama: 0.4.6
comm: 0.2.2
contourpy: 1.3.1
cxservices: 1.2.3
cycler: 0.12.1
Cython: 3.0.10
debugpy: 1.8.9
decorator: 5.1.1
docutils: 0.21.2
executing: 2.1.0
filelock: 3.15.4
fonttools: 4.55.3
funcparserlib: 2.0.0a0
glfw: 2.8.0
grako: 3.16.5
h11: 0.14.0
h5py: 3.12.1
html2text: 2024.2.26
httpcore: 1.0.7
httpx: 0.28.1
idna: 3.10
ihm: 1.3
imagecodecs: 2024.6.1
imagesize: 1.4.1
importlib_metadata: 8.0.0
importlib_resources: 6.4.0
inflect: 7.3.1
ipykernel: 6.29.5
ipython: 8.26.0
ipywidgets: 8.1.5
jaraco.context: 5.3.0
jaraco.functools: 4.0.1
jaraco.text: 3.12.1
jedi: 0.19.1
Jinja2: 3.1.4
jupyter_client: 8.6.2
jupyter_core: 5.7.2
jupyterlab_widgets: 3.0.13
kiwisolver: 1.4.7
line_profiler: 4.1.3
lxml: 5.2.2
lz4: 4.3.3
MarkupSafe: 3.0.2
matplotlib: 3.9.2
matplotlib-inline: 0.1.7
more-itertools: 10.3.0
msgpack: 1.0.8
ndindex: 1.9.2
nest-asyncio: 1.6.0
netCDF4: 1.6.5
networkx: 3.3
nibabel: 5.2.0
nptyping: 2.5.0
numexpr: 2.10.2
numpy: 1.26.4
openvr: 1.26.701
ordered-set: 4.1.0
packaging: 23.2
packaging: 24.1
ParmEd: 4.2.2
parso: 0.8.4
pep517: 0.13.1
pexpect: 4.9.0
pillow: 10.4.0
pip: 24.2
pkginfo: 1.11.1
platformdirs: 4.3.6
platformdirs: 4.2.2
prompt_toolkit: 3.0.48
psutil: 6.0.0
ptyprocess: 0.7.0
pure_eval: 0.2.3
py-cpuinfo: 9.0.0
pycollada: 0.8
pydicom: 2.4.4
pyelftools: 0.31
Pygments: 2.18.0
pynmrstar: 3.3.4
pynrrd: 1.0.0
PyOpenGL: 3.1.7
PyOpenGL-accelerate: 3.1.7
pyopenxr: 1.0.3401
pyparsing: 3.2.0
pyproject_hooks: 1.2.0
PyQt6-commercial: 6.7.1
PyQt6-Qt6: 6.7.3
PyQt6-WebEngine-commercial: 6.7.0
PyQt6-WebEngine-Qt6: 6.7.3
PyQt6-WebEngineSubwheel-Qt6: 6.7.3
PyQt6_sip: 13.8.0
python-dateutil: 2.9.0.post0
pytz: 2024.2
pyzmq: 26.2.0
qtconsole: 5.5.2
QtPy: 2.4.2
qtshim: 1.0
RandomWords: 0.4.0
requests: 2.32.3
scipy: 1.14.0
setuptools: 72.1.0
sfftk-rw: 0.8.1
six: 1.16.0
sniffio: 1.3.1
snowballstemmer: 2.2.0
sortedcontainers: 2.4.0
soupsieve: 2.6
Sphinx: 8.0.2
sphinx-autodoc-typehints: 2.2.3
sphinxcontrib-applehelp: 2.0.0
sphinxcontrib-blockdiag: 3.0.0
sphinxcontrib-devhelp: 2.0.0
sphinxcontrib-htmlhelp: 2.1.0
sphinxcontrib-jsmath: 1.0.1
sphinxcontrib-qthelp: 2.0.0
sphinxcontrib-serializinghtml: 2.0.0
stack-data: 0.6.3
superqt: 0.6.3
tables: 3.10.1
tcia_utils: 1.5.1
tifffile: 2024.7.24
tinyarray: 1.2.4
tomli: 2.0.1
tornado: 6.4.2
traitlets: 5.14.3
typeguard: 4.3.0
typing_extensions: 4.12.2
typing_extensions: 4.12.2
tzdata: 2024.2
urllib3: 2.2.3
wcwidth: 0.2.13
webcolors: 24.6.0
wheel: 0.43.0
wheel: 0.43.0
wheel-filename: 1.4.1
widgetsnbextension: 4.0.13
zipp: 3.19.2
Change History (2)
comment:1 by , 5 months ago
| Component: | Unassigned → Sequence |
|---|---|
| Owner: | set to |
| Platform: | → all |
| Project: | → ChimeraX |
| Status: | new → accepted |
| Summary: | ChimeraX bug report submission → Non-structure sequence still in match_maps |
comment:2 by , 5 months ago
| Resolution: | → can't reproduce |
|---|---|
| Status: | accepted → closed |
Note:
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A lot has changed since 1.9; would need a more recent (and reproducible) example.