id summary reporter owner description type status priority milestone component version resolution keywords cc blockedby blocking notify_on_close platform project 15050 Add Charge: loop that checks for isolated atoms within residues: list index out of range alphataubio@… Eric Pettersen "{{{ 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 }}} [attachment:""mincell.20nm-2.pdb""] " defect closed normal Structure Editing fixed all ChimeraX