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Opened 18 months ago
Closed 18 months ago
#15050 closed defect (fixed)
Add Charge: loop that checks for isolated atoms within residues: list index out of range
| Reported by: | Owned by: | Eric Pettersen | |
|---|---|---|---|
| Priority: | normal | Milestone: | |
| Component: | Structure Editing | Version: | |
| Keywords: | Cc: | ||
| Blocked By: | Blocking: | ||
| Notify when closed: | Platform: | all | |
| Project: | ChimeraX |
Description
The following bug report has been submitted:
Platform: macOS-13.2.1-x86_64-i386-64bit
ChimeraX Version: 1.7.1 (2024-01-23 01:58:08 UTC)
Description
open mincell.20nm-2.pdb, click electrostatic surface in molecule menu
Log:
UCSF ChimeraX version: 1.7.1 (2024-01-23)
© 2016-2023 Regents of the University of California. All rights reserved.
> open /Users/mitch/Desktop/4pyg.cxs
Log from Thu Apr 25 18:29:39 2024 Startup Messages
---
warning | Replacing fetcher for 'pdb_nmr' and format NMRSTAR from NMRSTAR
bundle with that from NMRSTAR bundle
UCSF ChimeraX version: 1.7.1 (2024-01-23)
© 2016-2023 Regents of the University of California. All rights reserved.
How to cite UCSF ChimeraX
> open /Users/mitch/charmm/charmm-gui-1351004410/4pyg-3mM.psf coords
> /Users/mitch/Downloads/4pyg-3mM.dcd
Summary of feedback from opening /Users/mitch/charmm/charmm-
gui-1351004410/4pyg-3mM.psf
---
notes | * GENERATED BY CHARMM-GUI (HTTP://WWW.CHARMM-GUI.ORG) V3.7 ON APR, 19.
2024. JOB
* READ PDB, MANIPULATE STRUCTURE IF NEEDED, AND GENERATE TOPOLOGY FILE
* DATE: 4/19/24 3: 8:15 CREATED BY USER: apache
Chain information for 4pyg-3mM.psf #1
---
Chain | Description
A | No description available
> color bychain
> color byhetero
> color bypolymer
> rainbow
> save /Users/mitch/Desktop/4pyg.cxs
——— End of log from Thu Apr 25 18:29:39 2024 ———
opened ChimeraX session
> interfaces ~solvent
0 buried areas:
> hbonds reveal true
2316719 hydrogen bonds found in 4080 coordsets
> hide atoms
> surface #1
> transparency #1 0.5
> transparency #1 50
> transparency #1 10
> transparency #1 90
> transparency #1 62
> color #1 snow gray
Expected a collection of one of 'All', 'atoms', 'bonds', 'cartoons', 'labels',
'models', 'pseudobonds', 'ribbons', 'rings', or 'surfaces' or a keyword
> color #1 surfaces gray
Expected a color or one of 'byatom', 'bychain', 'byelement', 'byhetero',
'byidentity', 'bymodel', 'bynucleotide', 'bypolymer', 'fromatoms',
'fromcartoons', 'fromribbons', or 'random' or a keyword
> color #1 gray surfaces
> transparency #1 62
> close #1.1
> hide #1.2 models
> show #1.2 models
> preset "overall look" "publication 2 (depth-cued)"
Using preset: Overall Look / Publication 2 (Depth-Cued)
Preset expands to these ChimeraX commands:
set bg white
graphics silhouettes f
lighting depthCue t
> preset "overall look" interactive
Using preset: Overall Look / Interactive
Preset expands to these ChimeraX commands:
~set bg
graphics silhouettes f
lighting depthCue t
> preset "molecular surfaces" "chain id coloring (opaque)"
Using preset: Molecular Surfaces / Chain ID Coloring (Opaque)
Changed 10 atom styles
Preset expands to these ChimeraX commands:
style (protein|nucleic|solvent) & @@draw_mode=0 stick
surface
color bychain targ s trans 0
> preset "molecular surfaces" "atomic coloring (transparent)"
Using preset: Molecular Surfaces / Atomic Coloring (Transparent)
Changed 0 atom styles
Preset expands to these ChimeraX commands:
style (protein|nucleic|solvent) & @@draw_mode=0 stick
surface
color fromatoms targ s trans 70
> cofr frontCenter
> view
> surface style dot
> surface style solid
> select solvent
10 atoms, 10 residues, 1 model selected
> select Ca
10 atoms, 10 residues, 1 model selected
> show sel atoms
> style sel sphere
Changed 10 atom styles
> color #1 gray surfaces
> color #1 gray surfaces transparency 62
> movie record
> movie encode /Users/mitch/Desktop/movie.mp4 framerate 25.0
Movie saved to /Users/mitch/Desktop/movie.mp4
> color sel bypolymer
> select add #1
10919 atoms, 11033 bonds, 705 residues, 1 model selected
> select subtract #1
1 model selected
> select add #1
10919 atoms, 11033 bonds, 705 residues, 1 model selected
> select subtract #1
1 model selected
> hide #1.2 models
> select add #1
10919 atoms, 11033 bonds, 705 residues, 1 model selected
> color sel byhetero
> color sel bychain
> color sel bypolymer
> rainbow sel
> color sel bypolymer
> select clear
> show #1.2 models
> preset "molecular surfaces" "atomic coloring (transparent)"
Using preset: Molecular Surfaces / Atomic Coloring (Transparent)
Changed 10 atom styles
Preset expands to these ChimeraX commands:
style (protein|nucleic|solvent) & @@draw_mode=0 stick
surface
color fromatoms targ s trans 70
> preset "molecular surfaces" "chain id coloring (opaque)"
Using preset: Molecular Surfaces / Chain ID Coloring (Opaque)
Changed 0 atom styles
Preset expands to these ChimeraX commands:
style (protein|nucleic|solvent) & @@draw_mode=0 stick
surface
color bychain targ s trans 0
> preset "initial styles" "space-filling (single color)"
Using preset: Initial Styles / Space-Filling (Single Color)
Preset implemented in Python; no expansion to individual ChimeraX commands
available.
> preset "initial styles" "space-filling (chain colors)"
Using preset: Initial Styles / Space-Filling (Chain Colors)
Preset implemented in Python; no expansion to individual ChimeraX commands
available.
> preset "initial styles" "original look"
Using preset: Initial Styles / Original Look
Preset implemented in Python; no expansion to individual ChimeraX commands
available.
> preset cartoons/nucleotides licorice/ovals
Using preset: Cartoons/Nucleotides / Licorice/Ovals
Changed 10 atom styles
Preset expands to these ChimeraX commands:
show nucleic
hide protein|solvent|H
surf hide
style (protein|nucleic|solvent) & @@draw_mode=0 stick
cartoon
cartoon style modeh def arrows t arrowshelix f arrowscale 2 wid 2 thick 0.4 sides 12 div 20
cartoon style ~(nucleic|strand) x round
cartoon style (nucleic|strand) x rect
cartoon style protein modeh default arrows f x round width 1 thick 1
cartoon style nucleic x round width 1.6 thick 1.6
nucleotides tube/slab shape ellipsoid
> preset cartoons/nucleotides cylinders/stubs
Using preset: Cartoons/Nucleotides / Cylinders/Stubs
Changed 0 atom styles
Preset expands to these ChimeraX commands:
show nucleic
hide protein|solvent|H
surf hide
style (protein|nucleic|solvent) & @@draw_mode=0 stick
cartoon
cartoon style modeh def arrows t arrowshelix f arrowscale 2 wid 2 thick 0.4 sides 12 div 20
cartoon style ~(nucleic|strand) x round
cartoon style (nucleic|strand) x rect
cartoon style protein modeh tube rad 2 sides 24 thick 0.6
cartoon style nucleic x round width 1.6 thick 1.6
nucleotides stubs
> preset cartoons/nucleotides ribbons/slabs
Using preset: Cartoons/Nucleotides / Ribbons/Slabs
Changed 0 atom styles
Preset expands to these ChimeraX commands:
show nucleic
hide protein|solvent|H
surf hide
style (protein|nucleic|solvent) & @@draw_mode=0 stick
cartoon
cartoon style modeh def arrows t arrowshelix f arrowscale 2 wid 2 thick 0.4 sides 12 div 20
cartoon style ~(nucleic|strand) x round
cartoon style (nucleic|strand) x rect
nucleotides tube/slab shape box
> show #1.2 models
> preset "molecular surfaces" "atomic coloring (transparent)"
Using preset: Molecular Surfaces / Atomic Coloring (Transparent)
Changed 0 atom styles
Preset expands to these ChimeraX commands:
style (protein|nucleic|solvent) & @@draw_mode=0 stick
surface
color fromatoms targ s trans 70
> preset "overall look" "publication 1 (silhouettes)"
Using preset: Overall Look / Publication 1 (Silhouettes)
Preset expands to these ChimeraX commands:
set bg white
graphics silhouettes t
lighting depthCue f
> preset "overall look" "publication 2 (depth-cued)"
Using preset: Overall Look / Publication 2 (Depth-Cued)
Preset expands to these ChimeraX commands:
set bg white
graphics silhouettes f
lighting depthCue t
> preset "overall look" interactive
Using preset: Overall Look / Interactive
Preset expands to these ChimeraX commands:
~set bg
graphics silhouettes f
lighting depthCue t
> hide surfaces
> show surfaces
> color #1 gray surfaces transparency 62
> select @ca
695 atoms, 695 residues, 1 model selected
> select @cal
10 atoms, 10 residues, 1 model selected
> select @cal style sphere
Expected a keyword
> style sphere
Changed 10919 atom styles
> show sel atoms
> rainbow sel
> open /Users/mitch/Dropbox/lammps/mincell/packmol/chl1.aa.pdb
Summary of feedback from opening
/Users/mitch/Dropbox/lammps/mincell/packmol/chl1.aa.pdb
---
warning | Ignored bad PDB record found on line 1
REMARK DATE: 2/ 5/21 14:32:45 CREATED BY USER: nathan
> hide #!1 models
> hide #1.2 models
> open /Users/mitch/Dropbox/lammps/mincell/packmol/chl1.cg.pdb
Summary of feedback from opening
/Users/mitch/Dropbox/lammps/mincell/packmol/chl1.cg.pdb
---
warnings | Ignored bad PDB record found on line 1
CG MAP
Ignored bad PDB record found on line 2
REMARK Generated by map_to_cg.py
> hide #3 models
> show #3 models
> style #2-3 sphere
Changed 85 atom styles
> select add #2
84 atoms, 77 bonds, 11 residues, 2 models selected
> style sel & #2 stick
Changed 74 atom styles
> transparency #3 62
> hide #3 models
> select add #3
95 atoms, 77 bonds, 12 residues, 3 models selected
> select subtract #2
21 atoms, 11 residues, 2 models selected
> hide #2 models
> show #3 models
> transparency #3 62
> transparency #3 62 a
Expected a collection of one of 'All', 'atoms', 'bonds', 'cartoons', 'labels',
'models', 'pseudobonds', 'ribbons', 'rings', or 'surfaces' or a keyword
> transparency #3 62 atoms
> show #2 models
> open /Users/mitch/Downloads/mincell.20nm.pdb
Summary of feedback from opening /Users/mitch/Downloads/mincell.20nm.pdb
---
warnings | Ignored bad PDB record found on line 3
REMARK Packmol generated pdb file
Ignored bad PDB record found on line 4
REMARK Home-Page: http://m3g.iqm.unicamp.br/packmol
mincell.20nm.pdb title:
Built with Packmol [more info...]
Non-standard residues in mincell.20nm.pdb #4
---
CHL — (CHL)
DPP — (DPP)
POP — (POP)
SSM — (SSM)
TLC — (TLC)
TLCL — (TLCL)
> ui tool show "Model Panel"
> hide #2 models
> hide #3 models
> clip
> rainbow #4
> style #4 sphere
Changed 74193 atom styles
> open /Users/mitch/Downloads/mincell.20nm-2.pdb
Summary of feedback from opening /Users/mitch/Downloads/mincell.20nm-2.pdb
---
warnings | Ignored bad PDB record found on line 3
REMARK Packmol generated pdb file
Ignored bad PDB record found on line 4
REMARK Home-Page: http://m3g.iqm.unicamp.br/packmol
Ignored bad PDB record found on line 100005
ATOM 186A0 C13 SSM I 90 -59.931 91.966 6.769
Ignored bad PDB record found on line 100006
ATOM 186A1 C14 SSM I 90 -59.437 95.711 7.551
Ignored bad PDB record found on line 100007
ATOM 186A2 C15 SSM I 90 -59.602 99.601 7.962
93 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 100111
ATOM 1870A NC SSM I 97 54.686 -69.975 -36.257
Ignored bad PDB record found on line 100112
ATOM 1870B PH SSM I 97 57.578 -71.464 -39.028
Ignored bad PDB record found on line 100113
ATOM 1870C GL2 SSM I 97 60.488 -70.455 -38.540
Ignored bad PDB record found on line 100114
ATOM 1870D OAD SSM I 97 62.087 -68.946 -38.708
Ignored bad PDB record found on line 100115
ATOM 1870E C11 SSM I 97 64.534 -70.014 -37.040
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
Duplicate atom serial number found: 18714
5 messages similar to the above omitted
Ignored bad PDB record found on line 100127
ATOM 1871A NC SSM I 98 77.556 43.377 34.266
Ignored bad PDB record found on line 100128
ATOM 1871B PH SSM I 98 79.008 44.417 38.148
Ignored bad PDB record found on line 100129
ATOM 1871C GL2 SSM I 98 81.395 42.679 39.153
Ignored bad PDB record found on line 100130
ATOM 1871D OAD SSM I 98 82.238 40.854 40.059
Ignored bad PDB record found on line 100131
ATOM 1871E C11 SSM I 98 85.371 41.097 39.863
1 messages similar to the above omitted
Duplicate atom serial number found: 18720
Duplicate atom serial number found: 18721
Duplicate atom serial number found: 18722
Duplicate atom serial number found: 18723
Duplicate atom serial number found: 18724
5 messages similar to the above omitted
Ignored bad PDB record found on line 100143
ATOM 1872A NC SSM I 99 -75.479 -55.845 20.411
Ignored bad PDB record found on line 100144
ATOM 1872B PH SSM I 99 -78.349 -56.300 23.545
Ignored bad PDB record found on line 100145
ATOM 1872C GL2 SSM I 99 -81.243 -55.408 22.798
Ignored bad PDB record found on line 100146
ATOM 1872D OAD SSM I 99 -82.800 -53.875 22.502
Ignored bad PDB record found on line 100147
ATOM 1872E C11 SSM I 99 -85.306 -55.339 21.283
1 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 100159
ATOM 1873A NC SSM I 100 42.127 90.671 2.020
Ignored bad PDB record found on line 100160
ATOM 1873B PH SSM I 100 44.711 92.033 5.139
Ignored bad PDB record found on line 100161
ATOM 1873C GL2 SSM I 100 47.677 92.463 4.276
Ignored bad PDB record found on line 100162
ATOM 1873D OAD SSM I 100 49.707 91.730 3.826
Ignored bad PDB record found on line 100163
ATOM 1873E C11 SSM I 100 51.337 94.178 2.703
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 100175
ATOM 1874A NC SSM I 101 29.981 44.099 83.662
Ignored bad PDB record found on line 100176
ATOM 1874B PH SSM I 101 31.460 45.859 87.264
Ignored bad PDB record found on line 100177
ATOM 1874C GL2 SSM I 101 29.778 48.264 88.323
Ignored bad PDB record found on line 100178
ATOM 1874D OAD SSM I 101 29.187 50.388 88.317
Ignored bad PDB record found on line 100179
ATOM 1874E C11 SSM I 101 26.758 50.668 90.299
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
Duplicate atom serial number found: 18754
5 messages similar to the above omitted
Ignored bad PDB record found on line 100191
ATOM 1875A NC SSM I 102 -46.998 -74.833 -46.724
Ignored bad PDB record found on line 100192
ATOM 1875B PH SSM I 102 -51.266 -74.724 -46.920
Ignored bad PDB record found on line 100193
ATOM 1875C GL2 SSM I 102 -52.417 -73.163 -49.362
Ignored bad PDB record found on line 100194
ATOM 1875D OAD SSM I 102 -52.988 -71.302 -50.399
Ignored bad PDB record found on line 100195
ATOM 1875E C11 SSM I 102 -53.822 -72.104 -53.327
1 messages similar to the above omitted
Duplicate atom serial number found: 18760
Duplicate atom serial number found: 18761
Duplicate atom serial number found: 18762
Duplicate atom serial number found: 18763
Duplicate atom serial number found: 18764
5 messages similar to the above omitted
Ignored bad PDB record found on line 100207
ATOM 1876A NC SSM I 103 75.919 37.728 -52.180
Ignored bad PDB record found on line 100208
ATOM 1876B PH SSM I 103 79.728 36.801 -53.882
Ignored bad PDB record found on line 100209
ATOM 1876C GL2 SSM I 103 79.616 35.704 -56.800
Ignored bad PDB record found on line 100210
ATOM 1876D OAD SSM I 103 79.312 34.089 -58.270
Ignored bad PDB record found on line 100211
ATOM 1876E C11 SSM I 103 79.421 35.415 -61.123
1 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 100223
ATOM 1877A NC SSM I 104 -66.677 51.837 -53.523
Ignored bad PDB record found on line 100224
ATOM 1877B PH SSM I 104 -67.256 55.900 -54.713
Ignored bad PDB record found on line 100225
ATOM 1877C GL2 SSM I 104 -66.459 56.517 -57.664
Ignored bad PDB record found on line 100226
ATOM 1877D OAD SSM I 104 -64.979 56.968 -59.236
Ignored bad PDB record found on line 100227
ATOM 1877E C11 SSM I 104 -66.520 56.939 -61.980
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 100239
ATOM 1878A NC SSM I 105 -56.470 79.751 -12.162
Ignored bad PDB record found on line 100240
ATOM 1878B PH SSM I 105 -54.904 81.263 -15.839
Ignored bad PDB record found on line 100241
ATOM 1878C GL2 SSM I 105 -57.032 81.704 -18.076
Ignored bad PDB record found on line 100242
ATOM 1878D OAD SSM I 105 -58.336 80.984 -19.702
Ignored bad PDB record found on line 100243
ATOM 1878E C11 SSM I 105 -60.141 83.413 -20.571
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
Duplicate atom serial number found: 18794
5 messages similar to the above omitted
Ignored bad PDB record found on line 100255
ATOM 1879A NC SSM I 106 -65.252 -38.480 -64.575
Ignored bad PDB record found on line 100256
ATOM 1879B PH SSM I 106 -68.493 -38.807 -67.342
Ignored bad PDB record found on line 100257
ATOM 1879C GL2 SSM I 106 -69.155 -41.722 -68.231
Ignored bad PDB record found on line 100258
ATOM 1879D OAD SSM I 106 -68.801 -43.518 -69.461
Ignored bad PDB record found on line 100259
ATOM 1879E C11 SSM I 106 -70.737 -45.757 -68.389
97 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 100367
ATOM 1880A NC SSM I 113 -29.638 -78.054 53.097
Ignored bad PDB record found on line 100368
ATOM 1880B PH SSM I 113 -32.033 -81.405 51.961
Ignored bad PDB record found on line 100369
ATOM 1880C GL2 SSM I 113 -31.163 -84.117 53.232
Ignored bad PDB record found on line 100370
ATOM 1880D OAD SSM I 113 -29.883 -85.911 53.324
Ignored bad PDB record found on line 100371
ATOM 1880E C11 SSM I 113 -30.658 -87.455 55.955
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
Duplicate atom serial number found: 18814
5 messages similar to the above omitted
Ignored bad PDB record found on line 100383
ATOM 1881A NC SSM I 114 46.565 35.046 -78.919
Ignored bad PDB record found on line 100384
ATOM 1881B PH SSM I 114 48.598 38.623 -77.764
Ignored bad PDB record found on line 100385
ATOM 1881C GL2 SSM I 114 51.558 38.806 -78.729
Ignored bad PDB record found on line 100386
ATOM 1881D OAD SSM I 114 53.703 38.325 -78.555
Ignored bad PDB record found on line 100387
ATOM 1881E C11 SSM I 114 55.112 39.483 -81.121
1 messages similar to the above omitted
Duplicate atom serial number found: 18820
Duplicate atom serial number found: 18821
Duplicate atom serial number found: 18822
Duplicate atom serial number found: 18823
Duplicate atom serial number found: 18824
5 messages similar to the above omitted
Ignored bad PDB record found on line 100399
ATOM 1882A NC SSM I 115 62.219 -66.075 -24.311
Ignored bad PDB record found on line 100400
ATOM 1882B PH SSM I 115 66.044 -67.979 -24.220
Ignored bad PDB record found on line 100401
ATOM 1882C GL2 SSM I 115 65.985 -70.978 -23.366
Ignored bad PDB record found on line 100402
ATOM 1882D OAD SSM I 115 65.897 -72.577 -21.850
Ignored bad PDB record found on line 100403
ATOM 1882E C11 SSM I 115 65.634 -75.301 -23.405
1 messages similar to the above omitted
Duplicate atom serial number found: 18830
Duplicate atom serial number found: 18831
Duplicate atom serial number found: 18832
Duplicate atom serial number found: 18833
Duplicate atom serial number found: 18834
5 messages similar to the above omitted
Ignored bad PDB record found on line 100415
ATOM 1883A NC SSM I 116 25.448 90.517 33.447
Ignored bad PDB record found on line 100416
ATOM 1883B PH SSM I 116 23.474 92.316 36.782
Ignored bad PDB record found on line 100417
ATOM 1883C GL2 SSM I 116 24.704 91.607 39.560
Ignored bad PDB record found on line 100418
ATOM 1883D OAD SSM I 116 24.974 90.271 41.293
Ignored bad PDB record found on line 100419
ATOM 1883E C11 SSM I 116 27.189 91.571 43.114
1 messages similar to the above omitted
Duplicate atom serial number found: 18840
Duplicate atom serial number found: 18841
Duplicate atom serial number found: 18842
Duplicate atom serial number found: 18843
Duplicate atom serial number found: 18844
5 messages similar to the above omitted
Ignored bad PDB record found on line 100431
ATOM 1884A NC SSM I 117 -32.179 75.489 53.522
Ignored bad PDB record found on line 100432
ATOM 1884B PH SSM I 117 -32.020 78.262 56.769
Ignored bad PDB record found on line 100433
ATOM 1884C GL2 SSM I 117 -33.769 80.817 56.385
Ignored bad PDB record found on line 100434
ATOM 1884D OAD SSM I 117 -34.134 82.829 55.561
Ignored bad PDB record found on line 100435
ATOM 1884E C11 SSM I 117 -37.098 83.595 56.295
1 messages similar to the above omitted
Duplicate atom serial number found: 18850
Duplicate atom serial number found: 18851
Duplicate atom serial number found: 18852
Duplicate atom serial number found: 18853
Duplicate atom serial number found: 18854
5 messages similar to the above omitted
Ignored bad PDB record found on line 100447
ATOM 1885A NC SSM I 118 28.921 -82.149 37.841
Ignored bad PDB record found on line 100448
ATOM 1885B PH SSM I 118 31.052 -84.788 35.241
Ignored bad PDB record found on line 100449
ATOM 1885C GL2 SSM I 118 33.653 -85.999 36.465
Ignored bad PDB record found on line 100450
ATOM 1885D OAD SSM I 118 35.786 -85.896 37.014
Ignored bad PDB record found on line 100451
ATOM 1885E C11 SSM I 118 36.439 -88.507 38.646
1 messages similar to the above omitted
Duplicate atom serial number found: 18860
Duplicate atom serial number found: 18861
Duplicate atom serial number found: 18862
Duplicate atom serial number found: 18863
Duplicate atom serial number found: 18864
5 messages similar to the above omitted
Ignored bad PDB record found on line 100463
ATOM 1886A NC SSM I 119 92.333 -4.894 37.995
Ignored bad PDB record found on line 100464
ATOM 1886B PH SSM I 119 95.773 -7.424 38.168
Ignored bad PDB record found on line 100465
ATOM 1886C GL2 SSM I 119 98.428 -6.073 37.245
Ignored bad PDB record found on line 100466
ATOM 1886D OAD SSM I 119 99.836 -5.390 35.691
Ignored bad PDB record found on line 100467
ATOM 1886E C11 SSM I 119 102.114 -3.789 37.160
1 messages similar to the above omitted
Duplicate atom serial number found: 18870
Duplicate atom serial number found: 18871
Duplicate atom serial number found: 18872
Duplicate atom serial number found: 18873
Duplicate atom serial number found: 18874
5 messages similar to the above omitted
Ignored bad PDB record found on line 100479
ATOM 1887A NC SSM I 120 -32.282 -42.329 84.298
Ignored bad PDB record found on line 100480
ATOM 1887B PH SSM I 120 -31.563 -42.452 88.508
Ignored bad PDB record found on line 100481
ATOM 1887C GL2 SSM I 120 -31.226 -39.658 89.852
Ignored bad PDB record found on line 100482
ATOM 1887D OAD SSM I 120 -30.043 -37.873 90.378
Ignored bad PDB record found on line 100483
ATOM 1887E C11 SSM I 120 -32.019 -35.832 91.735
1 messages similar to the above omitted
Duplicate atom serial number found: 18880
Duplicate atom serial number found: 18881
Duplicate atom serial number found: 18882
Duplicate atom serial number found: 18883
Duplicate atom serial number found: 18884
5 messages similar to the above omitted
Ignored bad PDB record found on line 100495
ATOM 1888A NC SSM I 121 -86.119 -43.487 -26.291
Ignored bad PDB record found on line 100496
ATOM 1888B PH SSM I 121 -90.055 -43.413 -27.953
Ignored bad PDB record found on line 100497
ATOM 1888C GL2 SSM I 121 -90.154 -43.552 -31.067
Ignored bad PDB record found on line 100498
ATOM 1888D OAD SSM I 121 -90.014 -42.640 -33.070
Ignored bad PDB record found on line 100499
ATOM 1888E C11 SSM I 121 -90.202 -44.985 -35.161
1 messages similar to the above omitted
Duplicate atom serial number found: 18890
Duplicate atom serial number found: 18891
Duplicate atom serial number found: 18892
Duplicate atom serial number found: 18893
Duplicate atom serial number found: 18894
5 messages similar to the above omitted
Ignored bad PDB record found on line 100511
ATOM 1889A NC SSM I 122 -60.958 -12.129 -77.359
Ignored bad PDB record found on line 100512
ATOM 1889B PH SSM I 122 -63.314 -13.156 -80.773
Ignored bad PDB record found on line 100513
ATOM 1889C GL2 SSM I 122 -65.517 -15.298 -80.237
Ignored bad PDB record found on line 100514
ATOM 1889D OAD SSM I 122 -66.197 -17.379 -79.975
Ignored bad PDB record found on line 100515
ATOM 1889E C11 SSM I 122 -69.221 -17.254 -79.110
97 messages similar to the above omitted
Duplicate atom serial number found: 18900
Duplicate atom serial number found: 18901
Duplicate atom serial number found: 18902
Duplicate atom serial number found: 18903
Duplicate atom serial number found: 18904
5 messages similar to the above omitted
Ignored bad PDB record found on line 100623
ATOM 1890A NC SSM I 129 38.546 9.214 86.890
Ignored bad PDB record found on line 100624
ATOM 1890B PH SSM I 129 39.257 6.408 90.034
Ignored bad PDB record found on line 100625
ATOM 1890C GL2 SSM I 129 42.257 5.671 90.466
Ignored bad PDB record found on line 100626
ATOM 1890D OAD SSM I 129 44.087 4.552 89.958
Ignored bad PDB record found on line 100627
ATOM 1890E C11 SSM I 129 46.398 5.709 91.754
1 messages similar to the above omitted
Duplicate atom serial number found: 18910
Duplicate atom serial number found: 18911
Duplicate atom serial number found: 18912
Duplicate atom serial number found: 18913
Duplicate atom serial number found: 18914
5 messages similar to the above omitted
Ignored bad PDB record found on line 100639
ATOM 1891A NC SSM I 130 62.472 63.588 45.318
Ignored bad PDB record found on line 100640
ATOM 1891B PH SSM I 130 65.454 66.475 44.299
Ignored bad PDB record found on line 100641
ATOM 1891C GL2 SSM I 130 65.085 69.260 45.654
Ignored bad PDB record found on line 100642
ATOM 1891D OAD SSM I 130 64.157 71.255 45.799
Ignored bad PDB record found on line 100643
ATOM 1891E C11 SSM I 130 65.178 72.547 48.481
1 messages similar to the above omitted
Duplicate atom serial number found: 18920
Duplicate atom serial number found: 18921
Duplicate atom serial number found: 18922
Duplicate atom serial number found: 18923
Duplicate atom serial number found: 18924
5 messages similar to the above omitted
Ignored bad PDB record found on line 100655
ATOM 1892A NC SSM I 131 72.577 -52.532 -29.459
Ignored bad PDB record found on line 100656
ATOM 1892B PH SSM I 131 75.849 -54.378 -27.423
Ignored bad PDB record found on line 100657
ATOM 1892C GL2 SSM I 131 75.659 -57.484 -27.204
Ignored bad PDB record found on line 100658
ATOM 1892D OAD SSM I 131 74.905 -59.335 -26.273
Ignored bad PDB record found on line 100659
ATOM 1892E C11 SSM I 131 75.899 -61.729 -28.058
1 messages similar to the above omitted
Duplicate atom serial number found: 18930
Duplicate atom serial number found: 18931
Duplicate atom serial number found: 18932
Duplicate atom serial number found: 18933
Duplicate atom serial number found: 18934
5 messages similar to the above omitted
Ignored bad PDB record found on line 100671
ATOM 1893A NC SSM I 132 22.304 -96.787 -5.388
Ignored bad PDB record found on line 100672
ATOM 1893B PH SSM I 132 21.991-100.827 -4.031
Ignored bad PDB record found on line 100673
ATOM 1893C GL2 SSM I 132 20.969-102.844 -6.179
Ignored bad PDB record found on line 100674
ATOM 1893D OAD SSM I 132 19.367-103.815 -7.343
Ignored bad PDB record found on line 100675
ATOM 1893E C11 SSM I 132 20.771-105.644 -9.486
1 messages similar to the above omitted
Duplicate atom serial number found: 18940
Duplicate atom serial number found: 18941
Duplicate atom serial number found: 18942
Duplicate atom serial number found: 18943
Duplicate atom serial number found: 18944
5 messages similar to the above omitted
Ignored bad PDB record found on line 100687
ATOM 1894A NC SSM I 133 85.166 49.462 12.906
Ignored bad PDB record found on line 100688
ATOM 1894B PH SSM I 133 89.263 49.239 11.711
Ignored bad PDB record found on line 100689
ATOM 1894C GL2 SSM I 133 90.413 51.877 10.508
Ignored bad PDB record found on line 100690
ATOM 1894D OAD SSM I 133 90.702 53.307 8.856
Ignored bad PDB record found on line 100691
ATOM 1894E C11 SSM I 133 92.177 55.814 10.061
1 messages similar to the above omitted
Duplicate atom serial number found: 18950
Duplicate atom serial number found: 18951
Duplicate atom serial number found: 18952
Duplicate atom serial number found: 18953
Duplicate atom serial number found: 18954
5 messages similar to the above omitted
Ignored bad PDB record found on line 100703
ATOM 1895A NC SSM I 134 -4.658 55.090 -81.595
Ignored bad PDB record found on line 100704
ATOM 1895B PH SSM I 134 -1.437 53.892 -84.135
Ignored bad PDB record found on line 100705
ATOM 1895C GL2 SSM I 134 -2.287 53.108 -87.032
Ignored bad PDB record found on line 100706
ATOM 1895D OAD SSM I 134 -3.099 51.693 -88.514
Ignored bad PDB record found on line 100707
ATOM 1895E C11 SSM I 134 -3.393 53.271 -91.222
1 messages similar to the above omitted
Duplicate atom serial number found: 18960
Duplicate atom serial number found: 18961
Duplicate atom serial number found: 18962
Duplicate atom serial number found: 18963
Duplicate atom serial number found: 18964
5 messages similar to the above omitted
Ignored bad PDB record found on line 100719
ATOM 1896A NC SSM I 135 31.433 -27.780 -87.913
Ignored bad PDB record found on line 100720
ATOM 1896B PH SSM I 135 34.803 -30.299 -88.660
Ignored bad PDB record found on line 100721
ATOM 1896C GL2 SSM I 135 34.238 -33.351 -88.353
Ignored bad PDB record found on line 100722
ATOM 1896D OAD SSM I 135 33.982 -35.180 -87.147
Ignored bad PDB record found on line 100723
ATOM 1896E C11 SSM I 135 33.047 -37.451 -89.115
1 messages similar to the above omitted
Duplicate atom serial number found: 18970
Duplicate atom serial number found: 18971
Duplicate atom serial number found: 18972
Duplicate atom serial number found: 18973
Duplicate atom serial number found: 18974
5 messages similar to the above omitted
Ignored bad PDB record found on line 100735
ATOM 1897A NC SSM I 136 -15.927 84.288 51.083
Ignored bad PDB record found on line 100736
ATOM 1897B PH SSM I 136 -17.206 86.621 54.427
Ignored bad PDB record found on line 100737
ATOM 1897C GL2 SSM I 136 -15.517 89.193 54.940
Ignored bad PDB record found on line 100738
ATOM 1897D OAD SSM I 136 -13.748 90.243 55.734
Ignored bad PDB record found on line 100739
ATOM 1897E C11 SSM I 136 -13.953 93.235 54.777
1 messages similar to the above omitted
Duplicate atom serial number found: 18980
Duplicate atom serial number found: 18981
Duplicate atom serial number found: 18982
Duplicate atom serial number found: 18983
Duplicate atom serial number found: 18984
5 messages similar to the above omitted
Ignored bad PDB record found on line 100751
ATOM 1898A NC SSM I 137 -3.442 -90.797 -37.430
Ignored bad PDB record found on line 100752
ATOM 1898B PH SSM I 137 -6.837 -92.990 -38.820
Ignored bad PDB record found on line 100753
ATOM 1898C GL2 SSM I 137 -6.148 -95.591 -40.397
Ignored bad PDB record found on line 100754
ATOM 1898D OAD SSM I 137 -5.543 -96.665 -42.225
Ignored bad PDB record found on line 100755
ATOM 1898E C11 SSM I 137 -5.118 -99.678 -41.418
1 messages similar to the above omitted
Duplicate atom serial number found: 18990
Duplicate atom serial number found: 18991
Duplicate atom serial number found: 18992
Duplicate atom serial number found: 18993
Duplicate atom serial number found: 18994
5 messages similar to the above omitted
Ignored bad PDB record found on line 100767
ATOM 1899A NC SSM I 138 80.790 -48.386 28.438
Ignored bad PDB record found on line 100768
ATOM 1899B PH SSM I 138 84.362 -46.111 29.008
Ignored bad PDB record found on line 100769
ATOM 1899C GL2 SSM I 138 84.818 -45.115 31.929
Ignored bad PDB record found on line 100770
ATOM 1899D OAD SSM I 138 84.457 -43.718 33.596
Ignored bad PDB record found on line 100771
ATOM 1899E C11 SSM I 138 85.936 -44.894 36.114
1633 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 102415
ATOM 1900A NC SSM I 241 83.023 31.741 -37.652
Ignored bad PDB record found on line 102416
ATOM 1900B PH SSM I 241 87.261 31.644 -37.110
Ignored bad PDB record found on line 102417
ATOM 1900C GL2 SSM I 241 88.756 29.583 -38.911
Ignored bad PDB record found on line 102418
ATOM 1900D OAD SSM I 241 89.442 27.543 -39.392
Ignored bad PDB record found on line 102419
ATOM 1900E C11 SSM I 241 90.764 27.670 -42.246
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
Duplicate atom serial number found: 19014
5 messages similar to the above omitted
Ignored bad PDB record found on line 102431
ATOM 1901A NC SSM I 242 -20.380 76.664 -52.727
Ignored bad PDB record found on line 102432
ATOM 1901B PH SSM I 242 -24.350 78.238 -52.592
Ignored bad PDB record found on line 102433
ATOM 1901C GL2 SSM I 242 -24.520 81.350 -52.704
Ignored bad PDB record found on line 102434
ATOM 1901D OAD SSM I 242 -24.413 83.347 -51.776
Ignored bad PDB record found on line 102435
ATOM 1901E C11 SSM I 242 -24.675 85.453 -54.102
1 messages similar to the above omitted
Duplicate atom serial number found: 19020
Duplicate atom serial number found: 19021
Duplicate atom serial number found: 19022
Duplicate atom serial number found: 19023
Duplicate atom serial number found: 19024
5 messages similar to the above omitted
Ignored bad PDB record found on line 102447
ATOM 1902A NC SSM I 243 57.377 -42.592 -69.955
Ignored bad PDB record found on line 102448
ATOM 1902B PH SSM I 243 61.086 -44.690 -70.272
Ignored bad PDB record found on line 102449
ATOM 1902C GL2 SSM I 243 60.925 -47.391 -71.824
Ignored bad PDB record found on line 102450
ATOM 1902D OAD SSM I 243 60.463 -49.543 -71.958
Ignored bad PDB record found on line 102451
ATOM 1902E C11 SSM I 243 60.827 -50.371 -74.973
1 messages similar to the above omitted
Duplicate atom serial number found: 19030
Duplicate atom serial number found: 19031
Duplicate atom serial number found: 19032
Duplicate atom serial number found: 19033
Duplicate atom serial number found: 19034
5 messages similar to the above omitted
Ignored bad PDB record found on line 102463
ATOM 1903A NC SSM I 244 58.141 -55.495 -50.255
Ignored bad PDB record found on line 102464
ATOM 1903B PH SSM I 244 56.897 -59.461 -51.247
Ignored bad PDB record found on line 102465
ATOM 1903C GL2 SSM I 244 57.605 -60.359 -54.149
Ignored bad PDB record found on line 102466
ATOM 1903D OAD SSM I 244 57.234 -60.416 -56.322
Ignored bad PDB record found on line 102467
ATOM 1903E C11 SSM I 244 59.694 -61.879 -57.632
1 messages similar to the above omitted
Duplicate atom serial number found: 19040
Duplicate atom serial number found: 19041
Duplicate atom serial number found: 19042
Duplicate atom serial number found: 19043
Duplicate atom serial number found: 19044
5 messages similar to the above omitted
Ignored bad PDB record found on line 102479
ATOM 1904A NC SSM I 245 0.976 77.447 60.582
Ignored bad PDB record found on line 102480
ATOM 1904B PH SSM I 245 5.099 78.323 61.284
Ignored bad PDB record found on line 102481
ATOM 1904C GL2 SSM I 245 5.732 81.346 61.715
Ignored bad PDB record found on line 102482
ATOM 1904D OAD SSM I 245 6.114 83.388 60.974
Ignored bad PDB record found on line 102483
ATOM 1904E C11 SSM I 245 6.266 85.264 63.497
1 messages similar to the above omitted
Duplicate atom serial number found: 19050
Duplicate atom serial number found: 19051
Duplicate atom serial number found: 19052
Duplicate atom serial number found: 19053
Duplicate atom serial number found: 19054
5 messages similar to the above omitted
Ignored bad PDB record found on line 102495
ATOM 1905A NC SSM I 246 -82.791 52.467 -7.428
Ignored bad PDB record found on line 102496
ATOM 1905B PH SSM I 246 -84.482 54.462 -4.049
Ignored bad PDB record found on line 102497
ATOM 1905C GL2 SSM I 246 -84.288 57.574 -4.145
Ignored bad PDB record found on line 102498
ATOM 1905D OAD SSM I 246 -83.199 59.473 -3.880
Ignored bad PDB record found on line 102499
ATOM 1905E C11 SSM I 246 -85.068 61.760 -4.970
1 messages similar to the above omitted
Duplicate atom serial number found: 19060
Duplicate atom serial number found: 19061
Duplicate atom serial number found: 19062
Duplicate atom serial number found: 19063
Duplicate atom serial number found: 19064
5 messages similar to the above omitted
Ignored bad PDB record found on line 102511
ATOM 1906A NC SSM I 247 50.313 80.056 -32.551
Ignored bad PDB record found on line 102512
ATOM 1906B PH SSM I 247 49.717 84.233 -33.228
Ignored bad PDB record found on line 102513
ATOM 1906C GL2 SSM I 247 51.885 86.079 -31.956
Ignored bad PDB record found on line 102514
ATOM 1906D OAD SSM I 247 52.775 87.163 -30.254
Ignored bad PDB record found on line 102515
ATOM 1906E C11 SSM I 247 55.509 88.357 -31.256
1 messages similar to the above omitted
Duplicate atom serial number found: 19070
Duplicate atom serial number found: 19071
Duplicate atom serial number found: 19072
Duplicate atom serial number found: 19073
Duplicate atom serial number found: 19074
5 messages similar to the above omitted
Ignored bad PDB record found on line 102527
ATOM 1907A NC SSM I 248 35.783 83.947 -26.908
Ignored bad PDB record found on line 102528
ATOM 1907B PH SSM I 248 36.126 86.937 -23.874
Ignored bad PDB record found on line 102529
ATOM 1907C GL2 SSM I 248 38.901 88.356 -23.755
Ignored bad PDB record found on line 102530
ATOM 1907D OAD SSM I 248 41.020 88.456 -23.156
Ignored bad PDB record found on line 102531
ATOM 1907E C11 SSM I 248 42.232 91.032 -24.500
1 messages similar to the above omitted
Duplicate atom serial number found: 19080
Duplicate atom serial number found: 19081
Duplicate atom serial number found: 19082
Duplicate atom serial number found: 19083
Duplicate atom serial number found: 19084
5 messages similar to the above omitted
Ignored bad PDB record found on line 102543
ATOM 1908A NC SSM I 249 -32.363 -80.931 -48.799
Ignored bad PDB record found on line 102544
ATOM 1908B PH SSM I 249 -34.164 -84.723 -48.001
Ignored bad PDB record found on line 102545
ATOM 1908C GL2 SSM I 249 -36.704 -85.340 -49.702
Ignored bad PDB record found on line 102546
ATOM 1908D OAD SSM I 249 -38.859 -85.157 -50.134
Ignored bad PDB record found on line 102547
ATOM 1908E C11 SSM I 249 -39.361 -86.568 -52.903
1 messages similar to the above omitted
Duplicate atom serial number found: 19090
Duplicate atom serial number found: 19091
Duplicate atom serial number found: 19092
Duplicate atom serial number found: 19093
Duplicate atom serial number found: 19094
5 messages similar to the above omitted
Ignored bad PDB record found on line 102559
ATOM 1909A NC SSM I 250 -59.563 70.516 38.467
Ignored bad PDB record found on line 102560
ATOM 1909B PH SSM I 250 -62.655 73.197 37.236
Ignored bad PDB record found on line 102561
ATOM 1909C GL2 SSM I 250 -65.235 73.097 38.986
Ignored bad PDB record found on line 102562
ATOM 1909D OAD SSM I 250 -67.164 72.204 39.575
Ignored bad PDB record found on line 102563
ATOM 1909E C11 SSM I 250 -68.146 73.752 42.134
97 messages similar to the above omitted
Duplicate atom serial number found: 19100
Duplicate atom serial number found: 19101
Duplicate atom serial number found: 19102
Duplicate atom serial number found: 19103
Duplicate atom serial number found: 19104
5 messages similar to the above omitted
Ignored bad PDB record found on line 102671
ATOM 1910A NC SSM I 257 16.515 0.620 92.628
Ignored bad PDB record found on line 102672
ATOM 1910B PH SSM I 257 15.890 -0.789 96.614
Ignored bad PDB record found on line 102673
ATOM 1910C GL2 SSM I 257 18.256 -2.444 97.794
Ignored bad PDB record found on line 102674
ATOM 1910D OAD SSM I 257 19.411 -4.307 98.029
Ignored bad PDB record found on line 102675
ATOM 1910E C11 SSM I 257 21.980 -3.587 99.700
1 messages similar to the above omitted
Duplicate atom serial number found: 19110
Duplicate atom serial number found: 19111
Duplicate atom serial number found: 19112
Duplicate atom serial number found: 19113
Duplicate atom serial number found: 19114
5 messages similar to the above omitted
Ignored bad PDB record found on line 102687
ATOM 1911A NC SSM I 258 -7.686 36.105 88.550
Ignored bad PDB record found on line 102688
ATOM 1911B PH SSM I 258 -7.931 33.884 92.193
Ignored bad PDB record found on line 102689
ATOM 1911C GL2 SSM I 258 -5.176 33.120 93.438
Ignored bad PDB record found on line 102690
ATOM 1911D OAD SSM I 258 -3.374 31.856 93.569
Ignored bad PDB record found on line 102691
ATOM 1911E C11 SSM I 258 -1.443 33.226 95.644
1 messages similar to the above omitted
Duplicate atom serial number found: 19120
Duplicate atom serial number found: 19121
Duplicate atom serial number found: 19122
Duplicate atom serial number found: 19123
Duplicate atom serial number found: 19124
5 messages similar to the above omitted
Ignored bad PDB record found on line 102703
ATOM 1912A NC SSM I 259 -57.735 -33.043 -69.844
Ignored bad PDB record found on line 102704
ATOM 1912B PH SSM I 259 -58.070 -32.787 -74.096
Ignored bad PDB record found on line 102705
ATOM 1912C GL2 SSM I 259 -57.263 -35.383 -75.624
Ignored bad PDB record found on line 102706
ATOM 1912D OAD SSM I 259 -55.771 -36.755 -76.493
Ignored bad PDB record found on line 102707
ATOM 1912E C11 SSM I 259 -57.335 -39.306 -77.474
1 messages similar to the above omitted
Duplicate atom serial number found: 19130
Duplicate atom serial number found: 19131
Duplicate atom serial number found: 19132
Duplicate atom serial number found: 19133
Duplicate atom serial number found: 19134
5 messages similar to the above omitted
Ignored bad PDB record found on line 102719
ATOM 1913A NC SSM I 260 -32.383 82.267 46.701
Ignored bad PDB record found on line 102720
ATOM 1913B PH SSM I 260 -33.513 82.373 50.821
Ignored bad PDB record found on line 102721
ATOM 1913C GL2 SSM I 260 -31.768 84.248 52.601
Ignored bad PDB record found on line 102722
ATOM 1913D OAD SSM I 260 -29.958 84.699 53.776
Ignored bad PDB record found on line 102723
ATOM 1913E C11 SSM I 260 -30.148 87.724 54.628
1 messages similar to the above omitted
Duplicate atom serial number found: 19140
Duplicate atom serial number found: 19141
Duplicate atom serial number found: 19142
Duplicate atom serial number found: 19143
Duplicate atom serial number found: 19144
5 messages similar to the above omitted
Ignored bad PDB record found on line 102735
ATOM 1914A NC SSM I 261 40.585 85.339 -25.915
Ignored bad PDB record found on line 102736
ATOM 1914B PH SSM I 261 42.210 88.342 -28.484
Ignored bad PDB record found on line 102737
ATOM 1914C GL2 SSM I 261 41.157 91.228 -27.942
Ignored bad PDB record found on line 102738
ATOM 1914D OAD SSM I 261 39.650 92.826 -28.133
Ignored bad PDB record found on line 102739
ATOM 1914E C11 SSM I 261 40.608 95.210 -26.314
1 messages similar to the above omitted
Duplicate atom serial number found: 19150
Duplicate atom serial number found: 19151
Duplicate atom serial number found: 19152
Duplicate atom serial number found: 19153
Duplicate atom serial number found: 19154
5 messages similar to the above omitted
Ignored bad PDB record found on line 102751
ATOM 1915A NC SSM I 262 18.059 58.632 -75.616
Ignored bad PDB record found on line 102752
ATOM 1915B PH SSM I 262 17.633 62.791 -76.502
Ignored bad PDB record found on line 102753
ATOM 1915C GL2 SSM I 262 19.248 63.763 -78.987
Ignored bad PDB record found on line 102754
ATOM 1915D OAD SSM I 262 21.105 64.427 -79.973
Ignored bad PDB record found on line 102755
ATOM 1915E C11 SSM I 262 20.470 64.680 -83.046
1 messages similar to the above omitted
Duplicate atom serial number found: 19160
Duplicate atom serial number found: 19161
Duplicate atom serial number found: 19162
Duplicate atom serial number found: 19163
Duplicate atom serial number found: 19164
5 messages similar to the above omitted
Ignored bad PDB record found on line 102767
ATOM 1916A NC SSM I 263 45.203 68.635 56.301
Ignored bad PDB record found on line 102768
ATOM 1916B PH SSM I 263 48.656 69.032 58.788
Ignored bad PDB record found on line 102769
ATOM 1916C GL2 SSM I 263 50.454 71.495 58.134
Ignored bad PDB record found on line 102770
ATOM 1916D OAD SSM I 263 52.009 72.521 56.954
Ignored bad PDB record found on line 102771
ATOM 1916E C11 SSM I 263 52.109 75.500 57.965
1 messages similar to the above omitted
Duplicate atom serial number found: 19170
Duplicate atom serial number found: 19171
Duplicate atom serial number found: 19172
Duplicate atom serial number found: 19173
Duplicate atom serial number found: 19174
5 messages similar to the above omitted
Ignored bad PDB record found on line 102783
ATOM 1917A NC SSM I 264 -86.034 33.218 -30.589
Ignored bad PDB record found on line 102784
ATOM 1917B PH SSM I 264 -87.626 34.838 -26.969
Ignored bad PDB record found on line 102785
ATOM 1917C GL2 SSM I 264 -87.842 37.949 -26.921
Ignored bad PDB record found on line 102786
ATOM 1917D OAD SSM I 264 -86.984 39.963 -26.660
Ignored bad PDB record found on line 102787
ATOM 1917E C11 SSM I 264 -89.228 42.024 -27.452
1 messages similar to the above omitted
Duplicate atom serial number found: 19180
Duplicate atom serial number found: 19181
Duplicate atom serial number found: 19182
Duplicate atom serial number found: 19183
Duplicate atom serial number found: 19184
5 messages similar to the above omitted
Ignored bad PDB record found on line 102799
ATOM 1918A NC SSM I 265 -59.078 46.887 63.091
Ignored bad PDB record found on line 102800
ATOM 1918B PH SSM I 265 -61.699 49.310 60.742
Ignored bad PDB record found on line 102801
ATOM 1918C GL2 SSM I 265 -64.725 48.610 61.030
Ignored bad PDB record found on line 102802
ATOM 1918D OAD SSM I 265 -66.504 47.398 60.553
Ignored bad PDB record found on line 102803
ATOM 1918E C11 SSM I 265 -68.820 48.389 62.441
1 messages similar to the above omitted
Duplicate atom serial number found: 19190
Duplicate atom serial number found: 19191
Duplicate atom serial number found: 19192
Duplicate atom serial number found: 19193
Duplicate atom serial number found: 19194
5 messages similar to the above omitted
Ignored bad PDB record found on line 102815
ATOM 1919A NC SSM I 266 -8.906 43.022 82.935
Ignored bad PDB record found on line 102816
ATOM 1919B PH SSM I 266 -5.691 44.090 85.540
Ignored bad PDB record found on line 102817
ATOM 1919C GL2 SSM I 266 -5.049 47.141 85.631
Ignored bad PDB record found on line 102818
ATOM 1919D OAD SSM I 266 -4.114 48.966 84.820
Ignored bad PDB record found on line 102819
ATOM 1919E C11 SSM I 266 -5.099 51.368 86.601
97 messages similar to the above omitted
Duplicate atom serial number found: 19200
Duplicate atom serial number found: 19201
Duplicate atom serial number found: 19202
Duplicate atom serial number found: 19203
Duplicate atom serial number found: 19204
5 messages similar to the above omitted
Ignored bad PDB record found on line 102927
ATOM 1920A NC SSM I 273 52.143 58.510 -61.847
Ignored bad PDB record found on line 102928
ATOM 1920B PH SSM I 273 54.442 62.083 -61.387
Ignored bad PDB record found on line 102929
ATOM 1920C GL2 SSM I 273 56.740 61.889 -59.287
Ignored bad PDB record found on line 102930
ATOM 1920D OAD SSM I 273 57.507 61.926 -57.220
Ignored bad PDB record found on line 102931
ATOM 1920E C11 SSM I 273 60.546 61.119 -57.356
1 messages similar to the above omitted
Duplicate atom serial number found: 19210
Duplicate atom serial number found: 19211
Duplicate atom serial number found: 19212
Duplicate atom serial number found: 19213
Duplicate atom serial number found: 19214
5 messages similar to the above omitted
Ignored bad PDB record found on line 102943
ATOM 1921A NC SSM I 274 14.950 84.449 -51.297
Ignored bad PDB record found on line 102944
ATOM 1921B PH SSM I 274 12.588 88.009 -51.205
Ignored bad PDB record found on line 102945
ATOM 1921C GL2 SSM I 274 14.098 90.547 -50.200
Ignored bad PDB record found on line 102946
ATOM 1921D OAD SSM I 274 14.903 91.838 -48.604
Ignored bad PDB record found on line 102947
ATOM 1921E C11 SSM I 274 16.562 94.111 -50.015
1 messages similar to the above omitted
Duplicate atom serial number found: 19220
Duplicate atom serial number found: 19221
Duplicate atom serial number found: 19222
Duplicate atom serial number found: 19223
Duplicate atom serial number found: 19224
5 messages similar to the above omitted
Ignored bad PDB record found on line 102959
ATOM 1922A NC SSM I 275 -25.644 53.668 78.502
Ignored bad PDB record found on line 102960
ATOM 1922B PH SSM I 275 -28.677 53.834 81.508
Ignored bad PDB record found on line 102961
ATOM 1922C GL2 SSM I 275 -28.784 51.347 83.387
Ignored bad PDB record found on line 102962
ATOM 1922D OAD SSM I 275 -29.373 49.273 83.853
Ignored bad PDB record found on line 102963
ATOM 1922E C11 SSM I 275 -28.024 48.533 86.600
1 messages similar to the above omitted
Duplicate atom serial number found: 19230
Duplicate atom serial number found: 19231
Duplicate atom serial number found: 19232
Duplicate atom serial number found: 19233
Duplicate atom serial number found: 19234
5 messages similar to the above omitted
Ignored bad PDB record found on line 102975
ATOM 1923A NC SSM I 276 -35.079 5.374 -93.219
Ignored bad PDB record found on line 102976
ATOM 1923B PH SSM I 276 -33.996 4.024 -97.126
Ignored bad PDB record found on line 102977
ATOM 1923C GL2 SSM I 276 -36.302 2.649 -98.713
Ignored bad PDB record found on line 102978
ATOM 1923D OAD SSM I 276 -37.579 0.918 -99.197
Ignored bad PDB record found on line 102979
ATOM 1923E C11 SSM I 276 -39.786 1.940-101.196
1 messages similar to the above omitted
Duplicate atom serial number found: 19240
Duplicate atom serial number found: 19241
Duplicate atom serial number found: 19242
Duplicate atom serial number found: 19243
Duplicate atom serial number found: 19244
5 messages similar to the above omitted
Ignored bad PDB record found on line 102991
ATOM 1924A NC SSM I 277 -79.340 -1.950 50.329
Ignored bad PDB record found on line 102992
ATOM 1924B PH SSM I 277 -82.110 -5.059 51.289
Ignored bad PDB record found on line 102993
ATOM 1924C GL2 SSM I 277 -82.003 -6.028 54.252
Ignored bad PDB record found on line 102994
ATOM 1924D OAD SSM I 277 -81.126 -7.218 55.888
Ignored bad PDB record found on line 102995
ATOM 1924E C11 SSM I 277 -82.613 -6.377 58.531
1 messages similar to the above omitted
Duplicate atom serial number found: 19250
Duplicate atom serial number found: 19251
Duplicate atom serial number found: 19252
Duplicate atom serial number found: 19253
Duplicate atom serial number found: 19254
5 messages similar to the above omitted
Ignored bad PDB record found on line 103007
ATOM 1925A NC SSM I 278 9.986 85.065 47.819
Ignored bad PDB record found on line 103008
ATOM 1925B PH SSM I 278 11.393 88.689 49.593
Ignored bad PDB record found on line 103009
ATOM 1925C GL2 SSM I 278 9.707 91.219 48.896
Ignored bad PDB record found on line 103010
ATOM 1925D OAD SSM I 278 9.134 92.878 47.562
Ignored bad PDB record found on line 103011
ATOM 1925E C11 SSM I 278 6.660 94.305 48.886
1 messages similar to the above omitted
Duplicate atom serial number found: 19260
Duplicate atom serial number found: 19261
Duplicate atom serial number found: 19262
Duplicate atom serial number found: 19263
Duplicate atom serial number found: 19264
5 messages similar to the above omitted
Ignored bad PDB record found on line 103023
ATOM 1926A NC SSM I 279 81.875 -23.245 48.566
Ignored bad PDB record found on line 103024
ATOM 1926B PH SSM I 279 85.178 -23.653 51.246
Ignored bad PDB record found on line 103025
ATOM 1926C GL2 SSM I 279 84.386 -24.165 54.219
Ignored bad PDB record found on line 103026
ATOM 1926D OAD SSM I 279 83.716 -23.487 56.207
Ignored bad PDB record found on line 103027
ATOM 1926E C11 SSM I 279 83.218 -26.070 57.936
1 messages similar to the above omitted
Duplicate atom serial number found: 19270
Duplicate atom serial number found: 19271
Duplicate atom serial number found: 19272
Duplicate atom serial number found: 19273
Duplicate atom serial number found: 19274
5 messages similar to the above omitted
Ignored bad PDB record found on line 103039
ATOM 1927A NC SSM I 280 -35.667 3.523 -87.554
Ignored bad PDB record found on line 103040
ATOM 1927B PH SSM I 280 -34.583 2.173 -91.461
Ignored bad PDB record found on line 103041
ATOM 1927C GL2 SSM I 280 -36.889 0.798 -93.048
Ignored bad PDB record found on line 103042
ATOM 1927D OAD SSM I 280 -38.167 -0.932 -93.532
Ignored bad PDB record found on line 103043
ATOM 1927E C11 SSM I 280 -40.374 0.089 -95.531
1 messages similar to the above omitted
Duplicate atom serial number found: 19280
Duplicate atom serial number found: 19281
Duplicate atom serial number found: 19282
Duplicate atom serial number found: 19283
Duplicate atom serial number found: 19284
5 messages similar to the above omitted
Ignored bad PDB record found on line 103055
ATOM 1928A NC SSM I 281 66.318 39.865 63.345
Ignored bad PDB record found on line 103056
ATOM 1928B PH SSM I 281 69.374 42.853 63.378
Ignored bad PDB record found on line 103057
ATOM 1928C GL2 SSM I 281 69.119 44.949 65.673
Ignored bad PDB record found on line 103058
ATOM 1928D OAD SSM I 281 68.258 46.771 66.568
Ignored bad PDB record found on line 103059
ATOM 1928E C11 SSM I 281 69.367 46.958 69.509
1 messages similar to the above omitted
Duplicate atom serial number found: 19290
Duplicate atom serial number found: 19291
Duplicate atom serial number found: 19292
Duplicate atom serial number found: 19293
Duplicate atom serial number found: 19294
5 messages similar to the above omitted
Ignored bad PDB record found on line 103071
ATOM 1929A NC SSM I 282 -54.517 -67.196 -36.016
Ignored bad PDB record found on line 103072
ATOM 1929B PH SSM I 282 -55.500 -71.311 -36.619
Ignored bad PDB record found on line 103073
ATOM 1929C GL2 SSM I 282 -58.067 -72.268 -35.127
Ignored bad PDB record found on line 103074
ATOM 1929D OAD SSM I 282 -59.136 -72.967 -33.331
Ignored bad PDB record found on line 103075
ATOM 1929E C11 SSM I 282 -62.190 -73.109 -34.080
97 messages similar to the above omitted
Duplicate atom serial number found: 19300
Duplicate atom serial number found: 19301
Duplicate atom serial number found: 19302
Duplicate atom serial number found: 19303
Duplicate atom serial number found: 19304
5 messages similar to the above omitted
Ignored bad PDB record found on line 103183
ATOM 1930A NC SSM I 289 -25.467 -42.998 86.605
Ignored bad PDB record found on line 103184
ATOM 1930B PH SSM I 289 -24.460 -46.439 88.931
Ignored bad PDB record found on line 103185
ATOM 1930C GL2 SSM I 289 -24.710 -46.043 92.015
Ignored bad PDB record found on line 103186
ATOM 1930D OAD SSM I 289 -23.955 -45.332 93.961
Ignored bad PDB record found on line 103187
ATOM 1930E C11 SSM I 289 -26.266 -45.768 96.054
1 messages similar to the above omitted
Duplicate atom serial number found: 19310
Duplicate atom serial number found: 19311
Duplicate atom serial number found: 19312
Duplicate atom serial number found: 19313
Duplicate atom serial number found: 19314
5 messages similar to the above omitted
Ignored bad PDB record found on line 103199
ATOM 1931A NC SSM I 290 -76.220 -32.881 -55.564
Ignored bad PDB record found on line 103200
ATOM 1931B PH SSM I 290 -79.693 -33.794 -53.248
Ignored bad PDB record found on line 103201
ATOM 1931C GL2 SSM I 290 -82.315 -32.427 -54.240
Ignored bad PDB record found on line 103202
ATOM 1931D OAD SSM I 290 -83.686 -30.706 -54.390
Ignored bad PDB record found on line 103203
ATOM 1931E C11 SSM I 290 -85.971 -31.527 -56.394
1 messages similar to the above omitted
Duplicate atom serial number found: 19320
Duplicate atom serial number found: 19321
Duplicate atom serial number found: 19322
Duplicate atom serial number found: 19323
Duplicate atom serial number found: 19324
5 messages similar to the above omitted
Ignored bad PDB record found on line 103215
ATOM 1932A NC SSM I 291 -69.829 65.947 -27.838
Ignored bad PDB record found on line 103216
ATOM 1932B PH SSM I 291 -71.468 67.729 -31.359
Ignored bad PDB record found on line 103217
ATOM 1932C GL2 SSM I 291 -74.577 67.587 -31.563
Ignored bad PDB record found on line 103218
ATOM 1932D OAD SSM I 291 -76.459 66.536 -32.026
Ignored bad PDB record found on line 103219
ATOM 1932E C11 SSM I 291 -78.809 68.425 -31.124
1 messages similar to the above omitted
Duplicate atom serial number found: 19330
Duplicate atom serial number found: 19331
Duplicate atom serial number found: 19332
Duplicate atom serial number found: 19333
Duplicate atom serial number found: 19334
5 messages similar to the above omitted
Ignored bad PDB record found on line 103231
ATOM 1933A NC SSM I 292 90.587 -14.623 20.424
Ignored bad PDB record found on line 103232
ATOM 1933B PH SSM I 292 93.964 -14.411 17.813
Ignored bad PDB record found on line 103233
ATOM 1933C GL2 SSM I 292 95.836 -11.966 18.304
Ignored bad PDB record found on line 103234
ATOM 1933D OAD SSM I 292 96.371 -9.838 18.080
Ignored bad PDB record found on line 103235
ATOM 1933E C11 SSM I 292 98.917 -9.342 19.864
1 messages similar to the above omitted
Duplicate atom serial number found: 19340
Duplicate atom serial number found: 19341
Duplicate atom serial number found: 19342
Duplicate atom serial number found: 19343
Duplicate atom serial number found: 19344
5 messages similar to the above omitted
Ignored bad PDB record found on line 103247
ATOM 1934A NC SSM I 293 71.607 -63.625 -1.036
Ignored bad PDB record found on line 103248
ATOM 1934B PH SSM I 293 74.939 -65.781 0.548
Ignored bad PDB record found on line 103249
ATOM 1934C GL2 SSM I 293 74.977 -68.819 -0.157
Ignored bad PDB record found on line 103250
ATOM 1934D OAD SSM I 293 74.333 -70.905 0.152
Ignored bad PDB record found on line 103251
ATOM 1934E C11 SSM I 293 75.565 -72.601 -2.196
1 messages similar to the above omitted
Duplicate atom serial number found: 19350
Duplicate atom serial number found: 19351
Duplicate atom serial number found: 19352
Duplicate atom serial number found: 19353
Duplicate atom serial number found: 19354
5 messages similar to the above omitted
Ignored bad PDB record found on line 103263
ATOM 1935A NC SSM I 294 -5.748 -95.540 28.877
Ignored bad PDB record found on line 103264
ATOM 1935B PH SSM I 294 -7.092 -99.455 27.816
Ignored bad PDB record found on line 103265
ATOM 1935C GL2 SSM I 294 -4.959-101.703 28.169
Ignored bad PDB record found on line 103266
ATOM 1935D OAD SSM I 294 -3.201-102.851 27.497
Ignored bad PDB record found on line 103267
ATOM 1935E C11 SSM I 294 -2.419-104.790 29.850
1 messages similar to the above omitted
Duplicate atom serial number found: 19360
Duplicate atom serial number found: 19361
Duplicate atom serial number found: 19362
Duplicate atom serial number found: 19363
Duplicate atom serial number found: 19364
5 messages similar to the above omitted
Ignored bad PDB record found on line 103279
ATOM 1936A NC SSM I 295 -7.852 -98.054 -5.460
Ignored bad PDB record found on line 103280
ATOM 1936B PH SSM I 295 -7.246-102.086 -6.741
Ignored bad PDB record found on line 103281
ATOM 1936C GL2 SSM I 295 -4.269-102.849 -7.273
Ignored bad PDB record found on line 103282
ATOM 1936D OAD SSM I 295 -2.455-102.884 -8.525
Ignored bad PDB record found on line 103283
ATOM 1936E C11 SSM I 295 -0.148-104.100 -6.762
1 messages similar to the above omitted
Duplicate atom serial number found: 19370
Duplicate atom serial number found: 19371
Duplicate atom serial number found: 19372
Duplicate atom serial number found: 19373
Duplicate atom serial number found: 19374
5 messages similar to the above omitted
Ignored bad PDB record found on line 103295
ATOM 1937A NC SSM I 296 50.037 86.113 -1.888
Ignored bad PDB record found on line 103296
ATOM 1937B PH SSM I 296 50.796 88.363 1.664
Ignored bad PDB record found on line 103297
ATOM 1937C GL2 SSM I 296 53.802 89.031 2.164
Ignored bad PDB record found on line 103298
ATOM 1937D OAD SSM I 296 55.829 88.513 2.859
Ignored bad PDB record found on line 103299
ATOM 1937E C11 SSM I 296 57.708 90.914 2.074
1 messages similar to the above omitted
Duplicate atom serial number found: 19380
Duplicate atom serial number found: 19381
Duplicate atom serial number found: 19382
Duplicate atom serial number found: 19383
Duplicate atom serial number found: 19384
5 messages similar to the above omitted
Ignored bad PDB record found on line 103311
ATOM 1938A NC SSM I 297 16.925 -88.635 34.142
Ignored bad PDB record found on line 103312
ATOM 1938B PH SSM I 297 20.284 -90.348 36.153
Ignored bad PDB record found on line 103313
ATOM 1938C GL2 SSM I 297 19.680 -91.411 39.022
Ignored bad PDB record found on line 103314
ATOM 1938D OAD SSM I 297 19.375 -91.127 41.188
Ignored bad PDB record found on line 103315
ATOM 1938E C11 SSM I 297 18.463 -93.904 42.357
1 messages similar to the above omitted
Duplicate atom serial number found: 19390
Duplicate atom serial number found: 19391
Duplicate atom serial number found: 19392
Duplicate atom serial number found: 19393
Duplicate atom serial number found: 19394
5 messages similar to the above omitted
Ignored bad PDB record found on line 103327
ATOM 1939A NC SSM I 298 67.007 72.363 16.542
Ignored bad PDB record found on line 103328
ATOM 1939B PH SSM I 298 70.049 74.564 14.502
Ignored bad PDB record found on line 103329
ATOM 1939C GL2 SSM I 298 69.828 77.662 14.791
Ignored bad PDB record found on line 103330
ATOM 1939D OAD SSM I 298 68.977 79.620 14.240
Ignored bad PDB record found on line 103331
ATOM 1939E C11 SSM I 298 70.140 81.728 16.269
97 messages similar to the above omitted
Duplicate atom serial number found: 19400
Duplicate atom serial number found: 19401
Duplicate atom serial number found: 19402
Duplicate atom serial number found: 19403
Duplicate atom serial number found: 19404
5 messages similar to the above omitted
Ignored bad PDB record found on line 103439
ATOM 1940A NC SSM I 305 -52.175 -49.694 -62.084
Ignored bad PDB record found on line 103440
ATOM 1940B PH SSM I 305 -54.116 -53.477 -61.653
Ignored bad PDB record found on line 103441
ATOM 1940C GL2 SSM I 305 -57.225 -53.328 -61.455
Ignored bad PDB record found on line 103442
ATOM 1940D OAD SSM I 305 -59.098 -52.992 -60.342
Ignored bad PDB record found on line 103443
ATOM 1940E C11 SSM I 305 -61.442 -53.096 -62.441
1 messages similar to the above omitted
Duplicate atom serial number found: 19410
Duplicate atom serial number found: 19411
Duplicate atom serial number found: 19412
Duplicate atom serial number found: 19413
Duplicate atom serial number found: 19414
5 messages similar to the above omitted
Ignored bad PDB record found on line 103455
ATOM 1941A NC SSM I 306 -8.557 -91.611 17.346
Ignored bad PDB record found on line 103456
ATOM 1941B PH SSM I 306 -9.446 -95.282 15.347
Ignored bad PDB record found on line 103457
ATOM 1941C GL2 SSM I 306 -7.461 -97.609 15.958
Ignored bad PDB record found on line 103458
ATOM 1941D OAD SSM I 306 -5.558 -98.683 15.661
Ignored bad PDB record found on line 103459
ATOM 1941E C11 SSM I 306 -5.457-100.979 17.812
1 messages similar to the above omitted
Duplicate atom serial number found: 19420
Duplicate atom serial number found: 19421
Duplicate atom serial number found: 19422
Duplicate atom serial number found: 19423
Duplicate atom serial number found: 19424
5 messages similar to the above omitted
Ignored bad PDB record found on line 103471
ATOM 1942A NC SSM I 307 66.537 -30.266 67.435
Ignored bad PDB record found on line 103472
ATOM 1942B PH SSM I 307 68.349 -31.452 71.119
Ignored bad PDB record found on line 103473
ATOM 1942C GL2 SSM I 307 69.140 -34.466 71.269
Ignored bad PDB record found on line 103474
ATOM 1942D OAD SSM I 307 68.669 -36.596 71.586
Ignored bad PDB record found on line 103475
ATOM 1942E C11 SSM I 307 71.269 -38.225 70.880
1 messages similar to the above omitted
Duplicate atom serial number found: 19430
Duplicate atom serial number found: 19431
Duplicate atom serial number found: 19432
Duplicate atom serial number found: 19433
Duplicate atom serial number found: 19434
5 messages similar to the above omitted
Ignored bad PDB record found on line 103487
ATOM 1943A NC SSM I 308 -71.318 36.084 -60.086
Ignored bad PDB record found on line 103488
ATOM 1943B PH SSM I 308 -73.568 39.106 -62.102
Ignored bad PDB record found on line 103489
ATOM 1943C GL2 SSM I 308 -75.580 38.030 -64.229
Ignored bad PDB record found on line 103490
ATOM 1943D OAD SSM I 308 -76.078 37.262 -66.235
Ignored bad PDB record found on line 103491
ATOM 1943E C11 SSM I 308 -79.104 36.397 -66.159
1 messages similar to the above omitted
Duplicate atom serial number found: 19440
Duplicate atom serial number found: 19441
Duplicate atom serial number found: 19442
Duplicate atom serial number found: 19443
Duplicate atom serial number found: 19444
5 messages similar to the above omitted
Ignored bad PDB record found on line 103503
ATOM 1944A NC SSM I 309 39.180 10.522 -88.514
Ignored bad PDB record found on line 103504
ATOM 1944B PH SSM I 309 39.964 8.133 -91.970
Ignored bad PDB record found on line 103505
ATOM 1944C GL2 SSM I 309 40.595 9.756 -94.558
Ignored bad PDB record found on line 103506
ATOM 1944D OAD SSM I 309 39.991 10.926 -96.326
Ignored bad PDB record found on line 103507
ATOM 1944E C11 SSM I 309 42.632 12.014 -97.650
1 messages similar to the above omitted
Duplicate atom serial number found: 19450
Duplicate atom serial number found: 19451
Duplicate atom serial number found: 19452
Duplicate atom serial number found: 19453
Duplicate atom serial number found: 19454
5 messages similar to the above omitted
Ignored bad PDB record found on line 103519
ATOM 1945A NC SSM I 310 42.906 -63.218 -64.518
Ignored bad PDB record found on line 103520
ATOM 1945B PH SSM I 310 43.088 -67.418 -65.285
Ignored bad PDB record found on line 103521
ATOM 1945C GL2 SSM I 310 42.526 -68.225 -68.245
Ignored bad PDB record found on line 103522
ATOM 1945D OAD SSM I 310 41.169 -68.653 -69.930
Ignored bad PDB record found on line 103523
ATOM 1945E C11 SSM I 310 42.973 -69.071 -72.475
1 messages similar to the above omitted
Duplicate atom serial number found: 19460
Duplicate atom serial number found: 19461
Duplicate atom serial number found: 19462
Duplicate atom serial number found: 19463
Duplicate atom serial number found: 19464
5 messages similar to the above omitted
Ignored bad PDB record found on line 103535
ATOM 1946A NC SSM I 311 -4.465 84.875 -52.067
Ignored bad PDB record found on line 103536
ATOM 1946B PH SSM I 311 -7.828 87.111 -50.670
Ignored bad PDB record found on line 103537
ATOM 1946C GL2 SSM I 311 -7.153 89.984 -49.661
Ignored bad PDB record found on line 103538
ATOM 1946D OAD SSM I 311 -6.424 91.397 -48.134
Ignored bad PDB record found on line 103539
ATOM 1946E C11 SSM I 311 -6.305 94.234 -49.494
1 messages similar to the above omitted
Duplicate atom serial number found: 19470
Duplicate atom serial number found: 19471
Duplicate atom serial number found: 19472
Duplicate atom serial number found: 19473
Duplicate atom serial number found: 19474
5 messages similar to the above omitted
Ignored bad PDB record found on line 103551
ATOM 1947A NC SSM I 312 8.761 -65.205 66.512
Ignored bad PDB record found on line 103552
ATOM 1947B PH SSM I 312 9.136 -69.460 66.399
Ignored bad PDB record found on line 103553
ATOM 1947C GL2 SSM I 312 11.978 -70.535 67.104
Ignored bad PDB record found on line 103554
ATOM 1947D OAD SSM I 312 14.071 -71.005 66.594
Ignored bad PDB record found on line 103555
ATOM 1947E C11 SSM I 312 15.484 -71.901 69.261
1 messages similar to the above omitted
Duplicate atom serial number found: 19480
Duplicate atom serial number found: 19481
Duplicate atom serial number found: 19482
Duplicate atom serial number found: 19483
Duplicate atom serial number found: 19484
5 messages similar to the above omitted
Ignored bad PDB record found on line 103567
ATOM 1948A NC SSM I 313 -50.799 -84.217 -15.756
Ignored bad PDB record found on line 103568
ATOM 1948B PH SSM I 313 -52.928 -86.041 -18.981
Ignored bad PDB record found on line 103569
ATOM 1948C GL2 SSM I 313 -52.071 -88.973 -19.612
Ignored bad PDB record found on line 103570
ATOM 1948D OAD SSM I 313 -50.732 -90.462 -20.535
Ignored bad PDB record found on line 103571
ATOM 1948E C11 SSM I 313 -51.694 -93.293 -19.552
1 messages similar to the above omitted
Duplicate atom serial number found: 19490
Duplicate atom serial number found: 19491
Duplicate atom serial number found: 19492
Duplicate atom serial number found: 19493
Duplicate atom serial number found: 19494
5 messages similar to the above omitted
Ignored bad PDB record found on line 103583
ATOM 1949A NC SSM I 314 41.196 85.594 -5.135
Ignored bad PDB record found on line 103584
ATOM 1949B PH SSM I 314 39.909 89.662 -5.390
Ignored bad PDB record found on line 103585
ATOM 1949C GL2 SSM I 314 40.331 91.325 -2.786
Ignored bad PDB record found on line 103586
ATOM 1949D OAD SSM I 314 39.743 91.966 -0.760
Ignored bad PDB record found on line 103587
ATOM 1949E C11 SSM I 314 42.076 93.767 0.345
97 messages similar to the above omitted
Duplicate atom serial number found: 19500
Duplicate atom serial number found: 19501
Duplicate atom serial number found: 19502
Duplicate atom serial number found: 19503
Duplicate atom serial number found: 19504
5 messages similar to the above omitted
Ignored bad PDB record found on line 103695
ATOM 1950A NC SSM I 321 29.410 74.820 -58.418
Ignored bad PDB record found on line 103696
ATOM 1950B PH SSM I 321 32.053 78.170 -58.187
Ignored bad PDB record found on line 103697
ATOM 1950C GL2 SSM I 321 34.223 78.272 -60.426
Ignored bad PDB record found on line 103698
ATOM 1950D OAD SSM I 321 36.149 77.662 -61.309
Ignored bad PDB record found on line 103699
ATOM 1950E C11 SSM I 321 36.290 78.954 -64.177
1 messages similar to the above omitted
Duplicate atom serial number found: 19510
Duplicate atom serial number found: 19511
Duplicate atom serial number found: 19512
Duplicate atom serial number found: 19513
Duplicate atom serial number found: 19514
5 messages similar to the above omitted
Ignored bad PDB record found on line 103711
ATOM 1951A NC SSM I 322 85.497 -48.330 10.328
Ignored bad PDB record found on line 103712
ATOM 1951B PH SSM I 322 89.047 -50.558 11.159
Ignored bad PDB record found on line 103713
ATOM 1951C GL2 SSM I 322 88.849 -53.605 10.522
Ignored bad PDB record found on line 103714
ATOM 1951D OAD SSM I 322 88.241 -55.668 11.009
Ignored bad PDB record found on line 103715
ATOM 1951E C11 SSM I 322 88.867 -57.429 8.476
1 messages similar to the above omitted
Duplicate atom serial number found: 19520
Duplicate atom serial number found: 19521
Duplicate atom serial number found: 19522
Duplicate atom serial number found: 19523
Duplicate atom serial number found: 19524
5 messages similar to the above omitted
Ignored bad PDB record found on line 103727
ATOM 1952A NC SSM I 323 -85.741 -42.310 17.356
Ignored bad PDB record found on line 103728
ATOM 1952B PH SSM I 323 -86.590 -46.497 17.259
Ignored bad PDB record found on line 103729
ATOM 1952C GL2 SSM I 323 -86.969 -47.813 20.061
Ignored bad PDB record found on line 103730
ATOM 1952D OAD SSM I 323 -86.193 -48.693 21.928
Ignored bad PDB record found on line 103731
ATOM 1952E C11 SSM I 323 -88.671 -49.199 23.802
1 messages similar to the above omitted
Duplicate atom serial number found: 19530
Duplicate atom serial number found: 19531
Duplicate atom serial number found: 19532
Duplicate atom serial number found: 19533
Duplicate atom serial number found: 19534
5 messages similar to the above omitted
Ignored bad PDB record found on line 103743
ATOM 1953A NC SSM I 324 51.938 -65.079 -42.801
Ignored bad PDB record found on line 103744
ATOM 1953B PH SSM I 324 56.207 -65.278 -42.758
Ignored bad PDB record found on line 103745
ATOM 1953C GL2 SSM I 324 57.372 -68.064 -41.981
Ignored bad PDB record found on line 103746
ATOM 1953D OAD SSM I 324 57.952 -69.597 -40.505
Ignored bad PDB record found on line 103747
ATOM 1953E C11 SSM I 324 58.796 -72.158 -42.130
1 messages similar to the above omitted
Duplicate atom serial number found: 19540
Duplicate atom serial number found: 19541
Duplicate atom serial number found: 19542
Duplicate atom serial number found: 19543
Duplicate atom serial number found: 19544
5 messages similar to the above omitted
Ignored bad PDB record found on line 103759
ATOM 1954A NC SSM I 325 4.968 -65.172 -67.133
Ignored bad PDB record found on line 103760
ATOM 1954B PH SSM I 325 5.630 -64.972 -71.350
Ignored bad PDB record found on line 103761
ATOM 1954C GL2 SSM I 325 8.431 -65.983 -72.277
Ignored bad PDB record found on line 103762
ATOM 1954D OAD SSM I 325 10.596 -65.717 -72.599
Ignored bad PDB record found on line 103763
ATOM 1954E C11 SSM I 325 11.736 -68.506 -73.511
1 messages similar to the above omitted
Duplicate atom serial number found: 19550
Duplicate atom serial number found: 19551
Duplicate atom serial number found: 19552
Duplicate atom serial number found: 19553
Duplicate atom serial number found: 19554
5 messages similar to the above omitted
Ignored bad PDB record found on line 103775
ATOM 1955A NC SSM I 326 15.355 -93.073 -27.490
Ignored bad PDB record found on line 103776
ATOM 1955B PH SSM I 326 17.171 -95.595 -30.422
Ignored bad PDB record found on line 103777
ATOM 1955C GL2 SSM I 326 20.245 -95.989 -30.076
Ignored bad PDB record found on line 103778
ATOM 1955D OAD SSM I 326 22.338 -95.336 -30.312
Ignored bad PDB record found on line 103779
ATOM 1955E C11 SSM I 326 24.128 -97.427 -28.784
1 messages similar to the above omitted
Duplicate atom serial number found: 19560
Duplicate atom serial number found: 19561
Duplicate atom serial number found: 19562
Duplicate atom serial number found: 19563
Duplicate atom serial number found: 19564
5 messages similar to the above omitted
Ignored bad PDB record found on line 103791
ATOM 1956A NC SSM I 327 -3.562 -98.393 13.044
Ignored bad PDB record found on line 103792
ATOM 1956B PH SSM I 327 -5.875-101.754 11.773
Ignored bad PDB record found on line 103793
ATOM 1956C GL2 SSM I 327 -4.203-104.129 10.636
Ignored bad PDB record found on line 103794
ATOM 1956D OAD SSM I 327 -3.083-105.136 9.025
Ignored bad PDB record found on line 103795
ATOM 1956E C11 SSM I 327 -1.782-107.711 10.285
1 messages similar to the above omitted
Duplicate atom serial number found: 19570
Duplicate atom serial number found: 19571
Duplicate atom serial number found: 19572
Duplicate atom serial number found: 19573
Duplicate atom serial number found: 19574
5 messages similar to the above omitted
Ignored bad PDB record found on line 103807
ATOM 1957A NC SSM I 328 67.635 -72.785 -10.152
Ignored bad PDB record found on line 103808
ATOM 1957B PH SSM I 328 69.029 -73.777 -6.236
Ignored bad PDB record found on line 103809
ATOM 1957C GL2 SSM I 328 69.120 -76.834 -5.624
Ignored bad PDB record found on line 103810
ATOM 1957D OAD SSM I 328 68.175 -78.740 -5.044
Ignored bad PDB record found on line 103811
ATOM 1957E C11 SSM I 328 70.363 -80.981 -5.359
1 messages similar to the above omitted
Duplicate atom serial number found: 19580
Duplicate atom serial number found: 19581
Duplicate atom serial number found: 19582
Duplicate atom serial number found: 19583
Duplicate atom serial number found: 19584
5 messages similar to the above omitted
Ignored bad PDB record found on line 103823
ATOM 1958A NC SSM I 329 38.182 -28.441 -87.205
Ignored bad PDB record found on line 103824
ATOM 1958B PH SSM I 329 41.993 -29.152 -89.002
Ignored bad PDB record found on line 103825
ATOM 1958C GL2 SSM I 329 42.266 -31.915 -90.423
Ignored bad PDB record found on line 103826
ATOM 1958D OAD SSM I 329 42.611 -34.093 -90.412
Ignored bad PDB record found on line 103827
ATOM 1958E C11 SSM I 329 42.098 -35.118 -93.343
1 messages similar to the above omitted
Duplicate atom serial number found: 19590
Duplicate atom serial number found: 19591
Duplicate atom serial number found: 19592
Duplicate atom serial number found: 19593
Duplicate atom serial number found: 19594
5 messages similar to the above omitted
Ignored bad PDB record found on line 103839
ATOM 1959A NC SSM I 330 3.302 68.699 -65.225
Ignored bad PDB record found on line 103840
ATOM 1959B PH SSM I 330 0.791 68.949 -68.673
Ignored bad PDB record found on line 103841
ATOM 1959C GL2 SSM I 330 -1.487 71.070 -68.472
Ignored bad PDB record found on line 103842
ATOM 1959D OAD SSM I 330 -3.476 71.745 -67.800
Ignored bad PDB record found on line 103843
ATOM 1959E C11 SSM I 330 -3.721 74.786 -68.572
97 messages similar to the above omitted
Duplicate atom serial number found: 19600
Duplicate atom serial number found: 19601
Duplicate atom serial number found: 19602
Duplicate atom serial number found: 19603
Duplicate atom serial number found: 19604
5 messages similar to the above omitted
Ignored bad PDB record found on line 103951
ATOM 1960A NC SSM I 337 -76.027 -54.839 -34.822
Ignored bad PDB record found on line 103952
ATOM 1960B PH SSM I 337 -78.049 -58.593 -35.112
Ignored bad PDB record found on line 103953
ATOM 1960C GL2 SSM I 337 -81.156 -58.416 -34.910
Ignored bad PDB record found on line 103954
ATOM 1960D OAD SSM I 337 -83.034 -58.251 -33.766
Ignored bad PDB record found on line 103955
ATOM 1960E C11 SSM I 337 -85.358 -57.914 -35.862
1 messages similar to the above omitted
Duplicate atom serial number found: 19610
Duplicate atom serial number found: 19611
Duplicate atom serial number found: 19612
Duplicate atom serial number found: 19613
Duplicate atom serial number found: 19614
5 messages similar to the above omitted
Ignored bad PDB record found on line 103967
ATOM 1961A NC SSM I 338 -89.062 10.622 29.020
Ignored bad PDB record found on line 103968
ATOM 1961B PH SSM I 338 -91.895 11.745 32.016
Ignored bad PDB record found on line 103969
ATOM 1961C GL2 SSM I 338 -92.872 14.702 31.840
Ignored bad PDB record found on line 103970
ATOM 1961D OAD SSM I 338 -92.633 16.863 32.204
Ignored bad PDB record found on line 103971
ATOM 1961E C11 SSM I 338 -95.025 18.306 30.751
1 messages similar to the above omitted
Duplicate atom serial number found: 19620
Duplicate atom serial number found: 19621
Duplicate atom serial number found: 19622
Duplicate atom serial number found: 19623
Duplicate atom serial number found: 19624
5 messages similar to the above omitted
Ignored bad PDB record found on line 103983
ATOM 1962A NC SSM I 339 76.095 -34.044 -55.231
Ignored bad PDB record found on line 103984
ATOM 1962B PH SSM I 339 80.333 -33.573 -55.506
Ignored bad PDB record found on line 103985
ATOM 1962C GL2 SSM I 339 81.941 -36.246 -55.521
Ignored bad PDB record found on line 103986
ATOM 1962D OAD SSM I 339 82.870 -37.973 -54.514
Ignored bad PDB record found on line 103987
ATOM 1962E C11 SSM I 339 83.892 -39.911 -56.774
1 messages similar to the above omitted
Duplicate atom serial number found: 19630
Duplicate atom serial number found: 19631
Duplicate atom serial number found: 19632
Duplicate atom serial number found: 19633
Duplicate atom serial number found: 19634
5 messages similar to the above omitted
Ignored bad PDB record found on line 103999
ATOM 1963A NC SSM I 340 -78.126 61.330 9.555
Ignored bad PDB record found on line 104000
ATOM 1963B PH SSM I 340 -81.151 62.321 12.406
Ignored bad PDB record found on line 104001
ATOM 1963C GL2 SSM I 340 -81.422 65.369 13.009
Ignored bad PDB record found on line 104002
ATOM 1963D OAD SSM I 340 -80.796 67.223 14.026
Ignored bad PDB record found on line 104003
ATOM 1963E C11 SSM I 340 -82.516 69.561 12.807
1 messages similar to the above omitted
Duplicate atom serial number found: 19640
Duplicate atom serial number found: 19641
Duplicate atom serial number found: 19642
Duplicate atom serial number found: 19643
Duplicate atom serial number found: 19644
5 messages similar to the above omitted
Ignored bad PDB record found on line 104015
ATOM 1964A NC SSM I 341 37.214 -71.086 59.681
Ignored bad PDB record found on line 104016
ATOM 1964B PH SSM I 341 37.465 -75.344 59.933
Ignored bad PDB record found on line 104017
ATOM 1964C GL2 SSM I 341 40.339 -76.452 60.422
Ignored bad PDB record found on line 104018
ATOM 1964D OAD SSM I 341 42.349 -77.042 59.733
Ignored bad PDB record found on line 104019
ATOM 1964E C11 SSM I 341 44.029 -77.740 62.302
1 messages similar to the above omitted
Duplicate atom serial number found: 19650
Duplicate atom serial number found: 19651
Duplicate atom serial number found: 19652
Duplicate atom serial number found: 19653
Duplicate atom serial number found: 19654
5 messages similar to the above omitted
Ignored bad PDB record found on line 104031
ATOM 1965A NC SSM I 342 16.340 72.085 -66.535
Ignored bad PDB record found on line 104032
ATOM 1965B PH SSM I 342 16.413 74.839 -69.801
Ignored bad PDB record found on line 104033
ATOM 1965C GL2 SSM I 342 14.629 77.368 -69.411
Ignored bad PDB record found on line 104034
ATOM 1965D OAD SSM I 342 12.688 78.414 -69.443
Ignored bad PDB record found on line 104035
ATOM 1965E C11 SSM I 342 13.175 81.285 -68.248
1 messages similar to the above omitted
Duplicate atom serial number found: 19660
Duplicate atom serial number found: 19661
Duplicate atom serial number found: 19662
Duplicate atom serial number found: 19663
Duplicate atom serial number found: 19664
5 messages similar to the above omitted
Ignored bad PDB record found on line 104047
ATOM 1966A NC SSM I 343 42.452 -72.900 42.691
Ignored bad PDB record found on line 104048
ATOM 1966B PH SSM I 343 42.732 -76.754 40.866
Ignored bad PDB record found on line 104049
ATOM 1966C GL2 SSM I 343 45.521 -77.411 39.634
Ignored bad PDB record found on line 104050
ATOM 1966D OAD SSM I 343 47.028 -77.280 38.030
Ignored bad PDB record found on line 104051
ATOM 1966E C11 SSM I 343 49.644 -78.653 39.118
1 messages similar to the above omitted
Duplicate atom serial number found: 19670
Duplicate atom serial number found: 19671
Duplicate atom serial number found: 19672
Duplicate atom serial number found: 19673
Duplicate atom serial number found: 19674
5 messages similar to the above omitted
Ignored bad PDB record found on line 104063
ATOM 1967A NC SSM I 344 19.481 -8.957 97.308
Ignored bad PDB record found on line 104064
ATOM 1967B PH SSM I 344 17.682 -10.540 100.846
Ignored bad PDB record found on line 104065
ATOM 1967C GL2 SSM I 344 19.517 -12.446 102.498
Ignored bad PDB record found on line 104066
ATOM 1967D OAD SSM I 344 20.445 -14.406 102.895
Ignored bad PDB record found on line 104067
ATOM 1967E C11 SSM I 344 22.483 -13.993 105.259
1 messages similar to the above omitted
Duplicate atom serial number found: 19680
Duplicate atom serial number found: 19681
Duplicate atom serial number found: 19682
Duplicate atom serial number found: 19683
Duplicate atom serial number found: 19684
5 messages similar to the above omitted
Ignored bad PDB record found on line 104079
ATOM 1968A NC SSM I 345 -43.221 -38.026 -81.515
Ignored bad PDB record found on line 104080
ATOM 1968B PH SSM I 345 -43.230 -41.245 -84.325
Ignored bad PDB record found on line 104081
ATOM 1968C GL2 SSM I 345 -45.939 -42.775 -84.542
Ignored bad PDB record found on line 104082
ATOM 1968D OAD SSM I 345 -47.402 -44.268 -83.839
Ignored bad PDB record found on line 104083
ATOM 1968E C11 SSM I 345 -49.969 -43.950 -85.633
1 messages similar to the above omitted
Duplicate atom serial number found: 19690
Duplicate atom serial number found: 19691
Duplicate atom serial number found: 19692
Duplicate atom serial number found: 19693
Duplicate atom serial number found: 19694
5 messages similar to the above omitted
Ignored bad PDB record found on line 104095
ATOM 1969A NC SSM I 346 -26.011 -91.009 30.778
Ignored bad PDB record found on line 104096
ATOM 1969B PH SSM I 346 -26.486 -93.191 34.422
Ignored bad PDB record found on line 104097
ATOM 1969C GL2 SSM I 346 -29.226 -94.652 34.715
Ignored bad PDB record found on line 104098
ATOM 1969D OAD SSM I 346 -31.378 -94.692 35.191
Ignored bad PDB record found on line 104099
ATOM 1969E C11 SSM I 346 -32.429 -97.563 34.444
97 messages similar to the above omitted
Duplicate atom serial number found: 19700
Duplicate atom serial number found: 19701
Duplicate atom serial number found: 19702
Duplicate atom serial number found: 19703
Duplicate atom serial number found: 19704
5 messages similar to the above omitted
Ignored bad PDB record found on line 104207
ATOM 1970A NC SSM I 353 -90.240 2.895 -25.534
Ignored bad PDB record found on line 104208
ATOM 1970B PH SSM I 353 -94.239 1.417 -25.246
Ignored bad PDB record found on line 104209
ATOM 1970C GL2 SSM I 353 -96.419 3.622 -24.906
Ignored bad PDB record found on line 104210
ATOM 1970D OAD SSM I 353 -97.574 5.057 -23.695
Ignored bad PDB record found on line 104211
ATOM 1970E C11 SSM I 353 -99.345 6.726 -25.693
1 messages similar to the above omitted
Duplicate atom serial number found: 19710
Duplicate atom serial number found: 19711
Duplicate atom serial number found: 19712
Duplicate atom serial number found: 19713
Duplicate atom serial number found: 19714
5 messages similar to the above omitted
Ignored bad PDB record found on line 104223
ATOM 1971A NC SSM I 354 -55.269 -36.980 74.669
Ignored bad PDB record found on line 104224
ATOM 1971B PH SSM I 354 -58.016 -38.140 77.730
Ignored bad PDB record found on line 104225
ATOM 1971C GL2 SSM I 354 -60.936 -37.129 77.308
Ignored bad PDB record found on line 104226
ATOM 1971D OAD SSM I 354 -62.503 -35.582 77.417
Ignored bad PDB record found on line 104227
ATOM 1971E C11 SSM I 354 -65.055 -36.762 76.000
1 messages similar to the above omitted
Duplicate atom serial number found: 19720
Duplicate atom serial number found: 19721
Duplicate atom serial number found: 19722
Duplicate atom serial number found: 19723
Duplicate atom serial number found: 19724
5 messages similar to the above omitted
Ignored bad PDB record found on line 104239
ATOM 1972A NC SSM I 355 38.255 -67.973 57.112
Ignored bad PDB record found on line 104240
ATOM 1972B PH SSM I 355 36.471 -70.358 60.177
Ignored bad PDB record found on line 104241
ATOM 1972C GL2 SSM I 355 35.607 -73.213 59.266
Ignored bad PDB record found on line 104242
ATOM 1972D OAD SSM I 355 34.211 -74.614 58.291
Ignored bad PDB record found on line 104243
ATOM 1972E C11 SSM I 355 35.623 -77.428 58.243
1 messages similar to the above omitted
Duplicate atom serial number found: 19730
Duplicate atom serial number found: 19731
Duplicate atom serial number found: 19732
Duplicate atom serial number found: 19733
Duplicate atom serial number found: 19734
5 messages similar to the above omitted
Ignored bad PDB record found on line 104255
ATOM 1973A NC SSM I 356 57.669 43.029 62.647
Ignored bad PDB record found on line 104256
ATOM 1973B PH SSM I 356 61.548 42.081 64.171
Ignored bad PDB record found on line 104257
ATOM 1973C GL2 SSM I 356 63.843 43.909 63.114
Ignored bad PDB record found on line 104258
ATOM 1973D OAD SSM I 356 65.321 44.506 61.590
Ignored bad PDB record found on line 104259
ATOM 1973E C11 SSM I 356 66.628 47.191 62.584
1 messages similar to the above omitted
Duplicate atom serial number found: 19740
Duplicate atom serial number found: 19741
Duplicate atom serial number found: 19742
Duplicate atom serial number found: 19743
Duplicate atom serial number found: 19744
5 messages similar to the above omitted
Ignored bad PDB record found on line 104271
ATOM 1974A NC SSM I 357 -53.551 -81.645 6.110
Ignored bad PDB record found on line 104272
ATOM 1974B PH SSM I 357 -57.094 -83.650 4.812
Ignored bad PDB record found on line 104273
ATOM 1974C GL2 SSM I 357 -57.478 -86.511 5.995
Ignored bad PDB record found on line 104274
ATOM 1974D OAD SSM I 357 -57.070 -88.677 6.041
Ignored bad PDB record found on line 104275
ATOM 1974E C11 SSM I 357 -58.499 -89.824 8.600
1 messages similar to the above omitted
Duplicate atom serial number found: 19750
Duplicate atom serial number found: 19751
Duplicate atom serial number found: 19752
Duplicate atom serial number found: 19753
Duplicate atom serial number found: 19754
5 messages similar to the above omitted
Ignored bad PDB record found on line 104287
ATOM 1975A NC SSM I 358 22.967 80.120 -50.932
Ignored bad PDB record found on line 104288
ATOM 1975B PH SSM I 358 25.865 82.953 -49.576
Ignored bad PDB record found on line 104289
ATOM 1975C GL2 SSM I 358 28.499 83.018 -51.244
Ignored bad PDB record found on line 104290
ATOM 1975D OAD SSM I 358 30.492 82.241 -51.781
Ignored bad PDB record found on line 104291
ATOM 1975E C11 SSM I 358 31.465 83.873 -54.291
1 messages similar to the above omitted
Duplicate atom serial number found: 19760
Duplicate atom serial number found: 19761
Duplicate atom serial number found: 19762
Duplicate atom serial number found: 19763
Duplicate atom serial number found: 19764
5 messages similar to the above omitted
Ignored bad PDB record found on line 104303
ATOM 1976A NC SSM I 359 -66.206 -74.550 -4.324
Ignored bad PDB record found on line 104304
ATOM 1976B PH SSM I 359 -67.600 -74.816 -8.355
Ignored bad PDB record found on line 104305
ATOM 1976C GL2 SSM I 359 -66.944 -77.511 -9.783
Ignored bad PDB record found on line 104306
ATOM 1976D OAD SSM I 359 -65.586 -78.867 -10.869
Ignored bad PDB record found on line 104307
ATOM 1976E C11 SSM I 359 -67.087 -81.617 -11.171
1 messages similar to the above omitted
Duplicate atom serial number found: 19770
Duplicate atom serial number found: 19771
Duplicate atom serial number found: 19772
Duplicate atom serial number found: 19773
Duplicate atom serial number found: 19774
5 messages similar to the above omitted
Ignored bad PDB record found on line 104319
ATOM 1977A NC SSM I 360 -81.195 -35.666 -33.345
Ignored bad PDB record found on line 104320
ATOM 1977B PH SSM I 360 -83.289 -36.963 -36.837
Ignored bad PDB record found on line 104321
ATOM 1977C GL2 SSM I 360 -82.892 -39.973 -37.549
Ignored bad PDB record found on line 104322
ATOM 1977D OAD SSM I 360 -81.746 -41.638 -38.432
Ignored bad PDB record found on line 104323
ATOM 1977E C11 SSM I 360 -83.269 -44.292 -37.691
1 messages similar to the above omitted
Duplicate atom serial number found: 19780
Duplicate atom serial number found: 19781
Duplicate atom serial number found: 19782
Duplicate atom serial number found: 19783
Duplicate atom serial number found: 19784
5 messages similar to the above omitted
Ignored bad PDB record found on line 104335
ATOM 1978A NC SSM I 361 -84.401 -38.392 14.156
Ignored bad PDB record found on line 104336
ATOM 1978B PH SSM I 361 -85.287 -42.567 13.931
Ignored bad PDB record found on line 104337
ATOM 1978C GL2 SSM I 361 -85.628 -43.975 16.693
Ignored bad PDB record found on line 104338
ATOM 1978D OAD SSM I 361 -84.827 -44.924 18.515
Ignored bad PDB record found on line 104339
ATOM 1978E C11 SSM I 361 -87.277 -45.475 20.414
1 messages similar to the above omitted
Duplicate atom serial number found: 19790
Duplicate atom serial number found: 19791
Duplicate atom serial number found: 19792
Duplicate atom serial number found: 19793
Duplicate atom serial number found: 19794
5 messages similar to the above omitted
Ignored bad PDB record found on line 104351
ATOM 1979A NC SSM I 362 -14.546 -77.058 61.717
Ignored bad PDB record found on line 104352
ATOM 1979B PH SSM I 362 -16.613 -80.044 63.970
Ignored bad PDB record found on line 104353
ATOM 1979C GL2 SSM I 362 -14.762 -82.000 65.543
Ignored bad PDB record found on line 104354
ATOM 1979D OAD SSM I 362 -13.446 -83.765 65.675
Ignored bad PDB record found on line 104355
ATOM 1979E C11 SSM I 362 -12.220 -83.779 68.574
97 messages similar to the above omitted
Duplicate atom serial number found: 19800
Duplicate atom serial number found: 19801
Duplicate atom serial number found: 19802
Duplicate atom serial number found: 19803
Duplicate atom serial number found: 19804
5 messages similar to the above omitted
Ignored bad PDB record found on line 104463
ATOM 1980A NC SSM I 369 20.844 91.525 -21.828
Ignored bad PDB record found on line 104464
ATOM 1980B PH SSM I 369 21.915 92.725 -25.787
Ignored bad PDB record found on line 104465
ATOM 1980C GL2 SSM I 369 20.596 95.385 -26.742
Ignored bad PDB record found on line 104466
ATOM 1980D OAD SSM I 369 18.911 96.545 -27.564
Ignored bad PDB record found on line 104467
ATOM 1980E C11 SSM I 369 19.741 99.579 -27.440
1 messages similar to the above omitted
Duplicate atom serial number found: 19810
Duplicate atom serial number found: 19811
Duplicate atom serial number found: 19812
Duplicate atom serial number found: 19813
Duplicate atom serial number found: 19814
5 messages similar to the above omitted
Ignored bad PDB record found on line 104479
ATOM 1981A NC SSM I 370 72.935 11.525 67.436
Ignored bad PDB record found on line 104480
ATOM 1981B PH SSM I 370 76.167 9.318 69.153
Ignored bad PDB record found on line 104481
ATOM 1981C GL2 SSM I 370 78.913 10.796 69.121
Ignored bad PDB record found on line 104482
ATOM 1981D OAD SSM I 370 80.769 11.450 68.126
Ignored bad PDB record found on line 104483
ATOM 1981E C11 SSM I 370 82.259 13.364 70.133
1 messages similar to the above omitted
Duplicate atom serial number found: 19820
Duplicate atom serial number found: 19821
Duplicate atom serial number found: 19822
Duplicate atom serial number found: 19823
Duplicate atom serial number found: 19824
5 messages similar to the above omitted
Ignored bad PDB record found on line 104495
ATOM 1982A NC SSM I 371 14.201 12.731 -97.483
Ignored bad PDB record found on line 104496
ATOM 1982B PH SSM I 371 17.150 14.284-100.158
Ignored bad PDB record found on line 104497
ATOM 1982C GL2 SSM I 371 17.945 12.356-102.478
Ignored bad PDB record found on line 104498
ATOM 1982D OAD SSM I 371 19.067 10.644-103.298
Ignored bad PDB record found on line 104499
ATOM 1982E C11 SSM I 371 18.020 10.184-106.231
1 messages similar to the above omitted
Duplicate atom serial number found: 19830
Duplicate atom serial number found: 19831
Duplicate atom serial number found: 19832
Duplicate atom serial number found: 19833
Duplicate atom serial number found: 19834
5 messages similar to the above omitted
Ignored bad PDB record found on line 104511
ATOM 1983A NC SSM I 372 -82.068 13.043 -54.424
Ignored bad PDB record found on line 104512
ATOM 1983B PH SSM I 372 -86.113 12.933 -53.049
Ignored bad PDB record found on line 104513
ATOM 1983C GL2 SSM I 372 -87.986 15.063 -54.346
Ignored bad PDB record found on line 104514
ATOM 1983D OAD SSM I 372 -88.802 17.105 -54.513
Ignored bad PDB record found on line 104515
ATOM 1983E C11 SSM I 372 -90.665 17.141 -57.051
1 messages similar to the above omitted
Duplicate atom serial number found: 19840
Duplicate atom serial number found: 19841
Duplicate atom serial number found: 19842
Duplicate atom serial number found: 19843
Duplicate atom serial number found: 19844
5 messages similar to the above omitted
Ignored bad PDB record found on line 104527
ATOM 1984A NC SSM I 373 -1.167 -88.734 -43.529
Ignored bad PDB record found on line 104528
ATOM 1984B PH SSM I 373 -3.451 -92.346 -43.488
Ignored bad PDB record found on line 104529
ATOM 1984C GL2 SSM I 373 -4.937 -92.976 -46.156
Ignored bad PDB record found on line 104530
ATOM 1984D OAD SSM I 373 -6.613 -92.721 -47.567
Ignored bad PDB record found on line 104531
ATOM 1984E C11 SSM I 373 -5.875 -94.336 -50.166
1 messages similar to the above omitted
Duplicate atom serial number found: 19850
Duplicate atom serial number found: 19851
Duplicate atom serial number found: 19852
Duplicate atom serial number found: 19853
Duplicate atom serial number found: 19854
5 messages similar to the above omitted
Ignored bad PDB record found on line 104543
ATOM 1985A NC SSM I 374 -56.504 26.300 77.797
Ignored bad PDB record found on line 104544
ATOM 1985B PH SSM I 374 -57.979 29.269 80.493
Ignored bad PDB record found on line 104545
ATOM 1985C GL2 SSM I 374 -60.535 30.762 79.511
Ignored bad PDB record found on line 104546
ATOM 1985D OAD SSM I 374 -61.559 32.302 78.310
Ignored bad PDB record found on line 104547
ATOM 1985E C11 SSM I 374 -64.651 31.821 78.647
1 messages similar to the above omitted
Duplicate atom serial number found: 19860
Duplicate atom serial number found: 19861
Duplicate atom serial number found: 19862
Duplicate atom serial number found: 19863
Duplicate atom serial number found: 19864
5 messages similar to the above omitted
Ignored bad PDB record found on line 104559
ATOM 1986A NC SSM I 375 41.385 -35.552 -83.181
Ignored bad PDB record found on line 104560
ATOM 1986B PH SSM I 375 44.395 -38.277 -84.514
Ignored bad PDB record found on line 104561
ATOM 1986C GL2 SSM I 375 43.307 -41.005 -85.565
Ignored bad PDB record found on line 104562
ATOM 1986D OAD SSM I 375 42.536 -43.048 -85.261
Ignored bad PDB record found on line 104563
ATOM 1986E C11 SSM I 375 41.655 -44.123 -88.085
1 messages similar to the above omitted
Duplicate atom serial number found: 19870
Duplicate atom serial number found: 19871
Duplicate atom serial number found: 19872
Duplicate atom serial number found: 19873
Duplicate atom serial number found: 19874
5 messages similar to the above omitted
Ignored bad PDB record found on line 104575
ATOM 1987A NC SSM I 376 10.367 91.393 39.237
Ignored bad PDB record found on line 104576
ATOM 1987B PH SSM I 376 13.455 92.991 41.722
Ignored bad PDB record found on line 104577
ATOM 1987C GL2 SSM I 376 14.418 95.848 40.925
Ignored bad PDB record found on line 104578
ATOM 1987D OAD SSM I 376 15.611 97.236 39.695
Ignored bad PDB record found on line 104579
ATOM 1987E C11 SSM I 376 14.754 100.153 40.512
1 messages similar to the above omitted
Duplicate atom serial number found: 19880
Duplicate atom serial number found: 19881
Duplicate atom serial number found: 19882
Duplicate atom serial number found: 19883
Duplicate atom serial number found: 19884
5 messages similar to the above omitted
Ignored bad PDB record found on line 104591
ATOM 1988A NC SSM I 377 0.113 -83.891 -41.781
Ignored bad PDB record found on line 104592
ATOM 1988B PH SSM I 377 2.892 -85.871 -44.354
Ignored bad PDB record found on line 104593
ATOM 1988C GL2 SSM I 377 4.450 -88.222 -43.022
Ignored bad PDB record found on line 104594
ATOM 1988D OAD SSM I 377 6.069 -89.027 -41.759
Ignored bad PDB record found on line 104595
ATOM 1988E C11 SSM I 377 5.567 -92.123 -41.489
1 messages similar to the above omitted
Duplicate atom serial number found: 19890
Duplicate atom serial number found: 19891
Duplicate atom serial number found: 19892
Duplicate atom serial number found: 19893
Duplicate atom serial number found: 19894
5 messages similar to the above omitted
Ignored bad PDB record found on line 104607
ATOM 1989A NC SSM I 378 -88.470 44.809 -12.830
Ignored bad PDB record found on line 104608
ATOM 1989B PH SSM I 378 -92.324 42.981 -12.574
Ignored bad PDB record found on line 104609
ATOM 1989C GL2 SSM I 378 -94.112 44.036 -10.245
Ignored bad PDB record found on line 104610
ATOM 1989D OAD SSM I 378 -94.735 44.091 -8.131
Ignored bad PDB record found on line 104611
ATOM 1989E C11 SSM I 378 -96.860 46.398 -7.862
97 messages similar to the above omitted
Duplicate atom serial number found: 19900
Duplicate atom serial number found: 19901
Duplicate atom serial number found: 19902
Duplicate atom serial number found: 19903
Duplicate atom serial number found: 19904
5 messages similar to the above omitted
Ignored bad PDB record found on line 104719
ATOM 1990A NC SSM I 385 -0.513 22.671 -94.276
Ignored bad PDB record found on line 104720
ATOM 1990B PH SSM I 385 -3.151 25.221 -96.465
Ignored bad PDB record found on line 104721
ATOM 1990C GL2 SSM I 385 -2.005 26.263 -99.172
Ignored bad PDB record found on line 104722
ATOM 1990D OAD SSM I 385 -0.762 27.636-100.369
Ignored bad PDB record found on line 104723
ATOM 1990E C11 SSM I 385 -0.841 26.591-103.337
1 messages similar to the above omitted
Duplicate atom serial number found: 19910
Duplicate atom serial number found: 19911
Duplicate atom serial number found: 19912
Duplicate atom serial number found: 19913
Duplicate atom serial number found: 19914
5 messages similar to the above omitted
Ignored bad PDB record found on line 104735
ATOM 1991A NC SSM I 386 91.611 -6.183 39.056
Ignored bad PDB record found on line 104736
ATOM 1991B PH SSM I 386 95.549 -4.820 38.111
Ignored bad PDB record found on line 104737
ATOM 1991C GL2 SSM I 386 97.021 -3.373 40.449
Ignored bad PDB record found on line 104738
ATOM 1991D OAD SSM I 386 97.433 -1.606 41.703
Ignored bad PDB record found on line 104739
ATOM 1991E C11 SSM I 386 99.343 -2.553 44.020
1 messages similar to the above omitted
Duplicate atom serial number found: 19920
Duplicate atom serial number found: 19921
Duplicate atom serial number found: 19922
Duplicate atom serial number found: 19923
Duplicate atom serial number found: 19924
5 messages similar to the above omitted
Ignored bad PDB record found on line 104751
ATOM 1992A NC SSM I 387 -52.655 82.889 -10.705
Ignored bad PDB record found on line 104752
ATOM 1992B PH SSM I 387 -51.613 85.597 -13.843
Ignored bad PDB record found on line 104753
ATOM 1992C GL2 SSM I 387 -53.522 85.525 -16.309
Ignored bad PDB record found on line 104754
ATOM 1992D OAD SSM I 387 -54.233 84.652 -18.204
Ignored bad PDB record found on line 104755
ATOM 1992E C11 SSM I 387 -56.844 86.216 -19.010
1 messages similar to the above omitted
Duplicate atom serial number found: 19930
Duplicate atom serial number found: 19931
Duplicate atom serial number found: 19932
Duplicate atom serial number found: 19933
Duplicate atom serial number found: 19934
5 messages similar to the above omitted
Ignored bad PDB record found on line 104767
ATOM 1993A NC SSM I 388 17.101 3.169 92.231
Ignored bad PDB record found on line 104768
ATOM 1993B PH SSM I 388 16.479 1.762 96.218
Ignored bad PDB record found on line 104769
ATOM 1993C GL2 SSM I 388 18.845 0.108 97.398
Ignored bad PDB record found on line 104770
ATOM 1993D OAD SSM I 388 20.001 -1.754 97.634
Ignored bad PDB record found on line 104771
ATOM 1993E C11 SSM I 388 22.571 -1.033 99.303
1 messages similar to the above omitted
Duplicate atom serial number found: 19940
Duplicate atom serial number found: 19941
Duplicate atom serial number found: 19942
Duplicate atom serial number found: 19943
Duplicate atom serial number found: 19944
5 messages similar to the above omitted
Ignored bad PDB record found on line 104783
ATOM 1994A NC SSM I 389 24.944 54.208 80.131
Ignored bad PDB record found on line 104784
ATOM 1994B PH SSM I 389 29.149 53.500 80.405
Ignored bad PDB record found on line 104785
ATOM 1994C GL2 SSM I 389 30.912 56.071 80.291
Ignored bad PDB record found on line 104786
ATOM 1994D OAD SSM I 389 31.932 57.693 79.201
Ignored bad PDB record found on line 104787
ATOM 1994E C11 SSM I 389 33.084 59.667 81.366
1 messages similar to the above omitted
Duplicate atom serial number found: 19950
Duplicate atom serial number found: 19951
Duplicate atom serial number found: 19952
Duplicate atom serial number found: 19953
Duplicate atom serial number found: 19954
5 messages similar to the above omitted
Ignored bad PDB record found on line 104799
ATOM 1995A NC SSM I 390 -3.234 87.858 43.380
Ignored bad PDB record found on line 104800
ATOM 1995B PH SSM I 390 -2.101 91.821 44.509
Ignored bad PDB record found on line 104801
ATOM 1995C GL2 SSM I 390 -4.363 93.950 44.231
Ignored bad PDB record found on line 104802
ATOM 1995D OAD SSM I 390 -5.591 95.354 43.055
Ignored bad PDB record found on line 104803
ATOM 1995E C11 SSM I 390 -7.818 96.461 44.985
1 messages similar to the above omitted
Duplicate atom serial number found: 19960
Duplicate atom serial number found: 19961
Duplicate atom serial number found: 19962
Duplicate atom serial number found: 19963
Duplicate atom serial number found: 19964
5 messages similar to the above omitted
Ignored bad PDB record found on line 104815
ATOM 1996A NC SSM I 391 -69.824 -3.518 62.738
Ignored bad PDB record found on line 104816
ATOM 1996B PH SSM I 391 -69.923 -3.335 67.007
Ignored bad PDB record found on line 104817
ATOM 1996C GL2 SSM I 391 -71.052 -0.671 68.169
Ignored bad PDB record found on line 104818
ATOM 1996D OAD SSM I 391 -70.854 1.447 68.750
Ignored bad PDB record found on line 104819
ATOM 1996E C11 SSM I 391 -73.721 2.440 69.588
1 messages similar to the above omitted
Duplicate atom serial number found: 19970
Duplicate atom serial number found: 19971
Duplicate atom serial number found: 19972
Duplicate atom serial number found: 19973
Duplicate atom serial number found: 19974
5 messages similar to the above omitted
Ignored bad PDB record found on line 104831
ATOM 1997A NC SSM I 392 -31.869 54.671 -74.187
Ignored bad PDB record found on line 104832
ATOM 1997B PH SSM I 392 -31.560 58.752 -72.956
Ignored bad PDB record found on line 104833
ATOM 1997C GL2 SSM I 392 -30.868 60.753 -75.247
Ignored bad PDB record found on line 104834
ATOM 1997D OAD SSM I 392 -29.447 61.752 -76.606
Ignored bad PDB record found on line 104835
ATOM 1997E C11 SSM I 392 -31.156 63.476 -78.610
1 messages similar to the above omitted
Duplicate atom serial number found: 19980
Duplicate atom serial number found: 19981
Duplicate atom serial number found: 19982
Duplicate atom serial number found: 19983
Duplicate atom serial number found: 19984
5 messages similar to the above omitted
Ignored bad PDB record found on line 104847
ATOM 1998A NC SSM I 393 -58.750 59.732 -50.379
Ignored bad PDB record found on line 104848
ATOM 1998B PH SSM I 393 -61.811 62.393 -51.723
Ignored bad PDB record found on line 104849
ATOM 1998C GL2 SSM I 393 -60.834 65.288 -52.352
Ignored bad PDB record found on line 104850
ATOM 1998D OAD SSM I 393 -60.253 67.328 -51.750
Ignored bad PDB record found on line 104851
ATOM 1998E C11 SSM I 393 -59.181 68.775 -54.332
1 messages similar to the above omitted
Duplicate atom serial number found: 19990
Duplicate atom serial number found: 19991
Duplicate atom serial number found: 19992
Duplicate atom serial number found: 19993
Duplicate atom serial number found: 19994
5 messages similar to the above omitted
Ignored bad PDB record found on line 104863
ATOM 1999A NC SSM I 394 63.925 5.582 -76.652
Ignored bad PDB record found on line 104864
ATOM 1999B PH SSM I 394 66.805 8.263 -78.320
Ignored bad PDB record found on line 104865
ATOM 1999C GL2 SSM I 394 69.617 7.009 -78.814
Ignored bad PDB record found on line 104866
ATOM 1999D OAD SSM I 394 71.610 6.351 -78.137
Ignored bad PDB record found on line 104867
ATOM 1999E C11 SSM I 394 72.967 4.886 -80.570
7150 messages similar to the above omitted
mincell.20nm-2.pdb title:
Built with Packmol [more info...]
Non-standard residues in mincell.20nm-2.pdb #5
---
CHL — (CHL)
CHL1 — (CHL1)
DPP — (DPP)
DPPC — (DPPC)
POP — (POP)
POPG — (popg)
SSM — (SSM)
TLC — (TLC)
TLCL — (TLCL)
> close #4
> coulombic #5
Using Amber 20 recommended default charges and atom types for standard
residues
Traceback (most recent call last):
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/toolbar/tool.py", line 205, in callback
bundle_info.run_provider(session, name, session.toolbar,
display_name=display_name)
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/toolshed/info.py", line 397, in run_provider
return api._api_caller.run_provider(api, session, name, mgr, **kw)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/toolshed/__init__.py", line 1302, in run_provider
return cls._get_func(api, "run_provider")(session, name, mgr, **kw)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/shortcuts/__init__.py", line 66, in run_provider
shortcuts.run_provider(session, name)
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/shortcuts/shortcuts.py", line 1376, in run_provider
keyboard_shortcuts(session).try_shortcut(name)
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/shortcuts/shortcuts.py", line 402, in try_shortcut
self.run_shortcut(keys)
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/shortcuts/shortcuts.py", line 420, in run_shortcut
sc.run(self.session, status = self._enabled)
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/shortcuts/shortcuts.py", line 339, in run
f(s)
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/shortcuts/shortcuts.py", line 72, in func_plus_tip
func(cmd + " %s")(session)
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/shortcuts/shortcuts.py", line 582, in run_expanded_command
run(session, cmd)
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/shortcuts/shortcuts.py", line 525, in run
run_command(session, command, **kw)
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/commands/run.py", line 49, in run
results = command.run(text, log=log, return_json=return_json)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/commands/cli.py", line 2908, in run
result = ci.function(session, **kw_args)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/coulombic/cmd.py", line 99, in cmd_coulombic
assign_charges(session, needs_assignment, his_scheme, charge_method,
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/coulombic/coulombic.py", line 110, in assign_charges
add_charges(session, charged_residues, method=charge_method, status=status,
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/add_charge/charge.py", line 34, in add_charges
uncharged_res_types = add_standard_charges(session, residues, status=status,
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/add_charge/charge.py", line 189, in add_standard_charges
if len(bond_residues[0].atoms) == 1:
~~~~~~~~~~~~~^^^
IndexError: list index out of range
IndexError: list index out of range
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/add_charge/charge.py", line 189, in add_standard_charges
if len(bond_residues[0].atoms) == 1:
~~~~~~~~~~~~~^^^
See log for complete Python traceback.
Failed to send bug report. Bug report server www.rbvi.ucsf.edu is unavailable
OpenGL version: 4.1 Metal - 83
OpenGL renderer: Apple M1
OpenGL vendor: Apple
Python: 3.11.2
Locale: UTF-8
Qt version: PyQt6 6.3.1, Qt 6.3.1
Qt runtime version: 6.3.2
Qt platform: cocoa
Hardware:
Hardware Overview:
Model Name: Mac mini
Model Identifier: Macmini9,1
Model Number: G12N1LL/A
Chip: Unknown
Total Number of Cores: 8 (4 performance and 4 efficiency)
Memory: 16 GB
System Firmware Version: 8419.80.7
OS Loader Version: 8419.80.7
Software:
System Software Overview:
System Version: macOS 13.2.1 (22D68)
Kernel Version: Darwin 22.3.0
Time since boot: 5 days, 20 hours, 53 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:
DELL U3011:
Resolution: 2560 x 1600
UI Looks like: 2560 x 1600 @ 60.00Hz
Main Display: Yes
Mirror: Off
Online: Yes
Installed Packages:
alabaster: 0.7.16
appdirs: 1.4.4
appnope: 0.1.3
asttokens: 2.4.1
Babel: 2.14.0
backcall: 0.2.0
beautifulsoup4: 4.11.2
blockdiag: 3.0.0
blosc2: 2.0.0
build: 0.10.0
certifi: 2022.12.7
cftime: 1.6.3
charset-normalizer: 3.3.2
ChimeraX-AddCharge: 1.5.13
ChimeraX-AddH: 2.2.5
ChimeraX-AlignmentAlgorithms: 2.0.1
ChimeraX-AlignmentHdrs: 3.4.1
ChimeraX-AlignmentMatrices: 2.1
ChimeraX-Alignments: 2.12.2
ChimeraX-AlphaFold: 1.0
ChimeraX-AltlocExplorer: 1.1.1
ChimeraX-AmberInfo: 1.0
ChimeraX-Arrays: 1.1
ChimeraX-Atomic: 1.49.1
ChimeraX-AtomicLibrary: 12.1.5
ChimeraX-AtomSearch: 2.0.1
ChimeraX-AxesPlanes: 2.3.2
ChimeraX-BasicActions: 1.1.2
ChimeraX-BILD: 1.0
ChimeraX-BlastProtein: 2.1.2
ChimeraX-BondRot: 2.0.4
ChimeraX-BugReporter: 1.0.1
ChimeraX-BuildStructure: 2.10.5
ChimeraX-Bumps: 1.0
ChimeraX-BundleBuilder: 1.2.2
ChimeraX-ButtonPanel: 1.0.1
ChimeraX-CageBuilder: 1.0.1
ChimeraX-CellPack: 1.0
ChimeraX-Centroids: 1.3.2
ChimeraX-ChangeChains: 1.1
ChimeraX-CheckWaters: 1.3.2
ChimeraX-ChemGroup: 2.0.1
ChimeraX-Clashes: 2.2.4
ChimeraX-ColorActions: 1.0.3
ChimeraX-ColorGlobe: 1.0
ChimeraX-ColorKey: 1.5.5
ChimeraX-CommandLine: 1.2.5
ChimeraX-ConnectStructure: 2.0.1
ChimeraX-Contacts: 1.0.1
ChimeraX-Core: 1.7.1
ChimeraX-CoreFormats: 1.2
ChimeraX-coulombic: 1.4.2
ChimeraX-Crosslinks: 1.0
ChimeraX-Crystal: 1.0
ChimeraX-CrystalContacts: 1.0.1
ChimeraX-DataFormats: 1.2.3
ChimeraX-Dicom: 1.2
ChimeraX-DistMonitor: 1.4
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: 1.1.1
ChimeraX-Hbonds: 2.4
ChimeraX-Help: 1.2.2
ChimeraX-HKCage: 1.3
ChimeraX-IHM: 1.1
ChimeraX-ImageFormats: 1.2
ChimeraX-IMOD: 1.0
ChimeraX-IO: 1.0.1
ChimeraX-ItemsInspection: 1.0.1
ChimeraX-IUPAC: 1.0
ChimeraX-Label: 1.1.8
ChimeraX-ListInfo: 1.2.2
ChimeraX-Log: 1.1.6
ChimeraX-LookingGlass: 1.1
ChimeraX-Maestro: 1.9.1
ChimeraX-Map: 1.1.4
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: 2.1.2
ChimeraX-MCopy: 1.0
ChimeraX-MDcrds: 2.6.1
ChimeraX-MedicalToolbar: 1.0.2
ChimeraX-Meeting: 1.0.1
ChimeraX-MLP: 1.1.1
ChimeraX-mmCIF: 2.12.1
ChimeraX-MMTF: 2.2
ChimeraX-Modeller: 1.5.14
ChimeraX-ModelPanel: 1.4
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-Neuron: 1.0
ChimeraX-Nifti: 1.1
ChimeraX-NRRD: 1.1
ChimeraX-Nucleotides: 2.0.3
ChimeraX-OpenCommand: 1.13.1
ChimeraX-PDB: 2.7.3
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
ChimeraX-PubChem: 2.1
ChimeraX-ReadPbonds: 1.0.1
ChimeraX-Registration: 1.1.2
ChimeraX-RemoteControl: 1.0
ChimeraX-RenderByAttr: 1.1
ChimeraX-RenumberResidues: 1.1
ChimeraX-ResidueFit: 1.0.1
ChimeraX-RestServer: 1.2
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-SelInspector: 1.0
ChimeraX-SeqView: 2.11
ChimeraX-Shape: 1.0.1
ChimeraX-Shell: 1.0.1
ChimeraX-Shortcuts: 1.1.1
ChimeraX-ShowSequences: 1.0.2
ChimeraX-SideView: 1.0.1
ChimeraX-Smiles: 2.1.2
ChimeraX-SmoothLines: 1.0
ChimeraX-SpaceNavigator: 1.0
ChimeraX-StdCommands: 1.12.4
ChimeraX-STL: 1.0.1
ChimeraX-Storm: 1.0
ChimeraX-StructMeasure: 1.1.2
ChimeraX-Struts: 1.0.1
ChimeraX-Surface: 1.0.1
ChimeraX-SwapAA: 2.0.1
ChimeraX-SwapRes: 2.2.2
ChimeraX-TapeMeasure: 1.0
ChimeraX-TaskManager: 1.0
ChimeraX-Test: 1.0
ChimeraX-Toolbar: 1.1.2
ChimeraX-ToolshedUtils: 1.2.4
ChimeraX-Topography: 1.0
ChimeraX-ToQuest: 1.0
ChimeraX-Tug: 1.0.1
ChimeraX-UI: 1.33.3
ChimeraX-uniprot: 2.3
ChimeraX-UnitCell: 1.0.1
ChimeraX-ViewDockX: 1.3.2
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: 1.1.3
ChimeraX-Zone: 1.0.1
colorama: 0.4.6
comm: 0.2.1
contourpy: 1.2.0
cxservices: 1.2.2
cycler: 0.12.1
Cython: 0.29.33
debugpy: 1.8.0
decorator: 5.1.1
docutils: 0.19
executing: 2.0.1
filelock: 3.9.0
fonttools: 4.47.2
funcparserlib: 2.0.0a0
glfw: 2.6.4
grako: 3.16.5
h5py: 3.10.0
html2text: 2020.1.16
idna: 3.6
ihm: 0.38
imagecodecs: 2023.9.18
imagesize: 1.4.1
ipykernel: 6.23.2
ipython: 8.14.0
ipython-genutils: 0.2.0
ipywidgets: 8.1.1
jedi: 0.18.2
Jinja2: 3.1.2
jupyter-client: 8.2.0
jupyter-core: 5.7.1
jupyterlab-widgets: 3.0.9
kiwisolver: 1.4.5
line-profiler: 4.0.2
lxml: 4.9.2
lz4: 4.3.2
MarkupSafe: 2.1.4
matplotlib: 3.7.2
matplotlib-inline: 0.1.6
msgpack: 1.0.4
nest-asyncio: 1.6.0
netCDF4: 1.6.2
networkx: 3.1
nibabel: 5.0.1
nptyping: 2.5.0
numexpr: 2.8.8
numpy: 1.25.1
openvr: 1.23.701
packaging: 21.3
ParmEd: 3.4.3
parso: 0.8.3
pep517: 0.13.0
pexpect: 4.9.0
pickleshare: 0.7.5
pillow: 10.2.0
pip: 23.0
pkginfo: 1.9.6
platformdirs: 4.1.0
prompt-toolkit: 3.0.43
psutil: 5.9.5
ptyprocess: 0.7.0
pure-eval: 0.2.2
py-cpuinfo: 9.0.0
pycollada: 0.7.2
pydicom: 2.3.0
Pygments: 2.16.1
pynrrd: 1.0.0
PyOpenGL: 3.1.7
PyOpenGL-accelerate: 3.1.7
pyopenxr: 1.0.2801
pyparsing: 3.0.9
pyproject-hooks: 1.0.0
PyQt6-commercial: 6.3.1
PyQt6-Qt6: 6.3.2
PyQt6-sip: 13.4.0
PyQt6-WebEngine-commercial: 6.3.1
PyQt6-WebEngine-Qt6: 6.3.2
python-dateutil: 2.8.2
pytz: 2023.3.post1
pyzmq: 25.1.2
qtconsole: 5.4.3
QtPy: 2.4.1
RandomWords: 0.4.0
requests: 2.31.0
scipy: 1.11.1
setuptools: 67.4.0
setuptools-scm: 7.0.5
sfftk-rw: 0.7.3
six: 1.16.0
snowballstemmer: 2.2.0
sortedcontainers: 2.4.0
soupsieve: 2.5
sphinx: 6.1.3
sphinx-autodoc-typehints: 1.22
sphinxcontrib-applehelp: 1.0.8
sphinxcontrib-blockdiag: 3.0.0
sphinxcontrib-devhelp: 1.0.6
sphinxcontrib-htmlhelp: 2.0.5
sphinxcontrib-jsmath: 1.0.1
sphinxcontrib-qthelp: 1.0.7
sphinxcontrib-serializinghtml: 1.1.10
stack-data: 0.6.3
superqt: 0.5.0
tables: 3.8.0
tcia-utils: 1.5.1
tifffile: 2023.7.18
tinyarray: 1.2.4
tomli: 2.0.1
tornado: 6.4
traitlets: 5.9.0
typing-extensions: 4.9.0
tzdata: 2023.4
urllib3: 2.1.0
wcwidth: 0.2.13
webcolors: 1.12
wheel: 0.38.4
wheel-filename: 1.4.1
widgetsnbextension: 4.0.9
File attachment: mincell.20nm-2.pdb
Attachments (1)
Change History (3)
by , 18 months ago
| Attachment: | mincell.20nm-2.pdb added |
|---|
comment:1 by , 18 months ago
| Component: | Unassigned → Structure Editing |
|---|---|
| Owner: | set to |
| Platform: | → all |
| Project: | → ChimeraX |
| Status: | new → accepted |
| Summary: | ChimeraX bug report submission → Add Charge: loop that checks for isolated atoms within residues: list index out of range |
comment:2 by , 18 months ago
| Resolution: | → fixed |
|---|---|
| Status: | accepted → closed |
Hi Mitch,
Thanks for reporting this problem. I have committed a fix that will be in the next daily build. However, in your case the real root cause is that a bunch of ATOM records from mincell.20nm-2.pdb are being skipped/ignored because they use non-standard hexadecimal numbering in their serial number field. ChimeraX does support a couple of non-standard numbering schemes to get around the 100K atom limit of standard PDB format, but hexadecimal numbering isn't one of them. You either need to get that structure in mmCIF format, or with an extended PDB numbering that ChimeraX does support (namely, Amber and H36, as described here: https://www.cgl.ucsf.edu/chimerax/docs/user/commands/save.html#pdb)
--Eric
Eric Pettersen
UCSF Computer Graphics Lab
Fix: https://github.com/RBVI/ChimeraX/commit/f448e5590df0fa0dea76e3038d4243f9374d206f
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