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#4303 closed defect (duplicate)

Coulombic failure due to unexpected hydrogen name

Reported by:	james.hooker17@…	Owned by:	Eric Pettersen
Priority:	normal	Milestone:
Component:	Surface/Binding Analysis	Version:
Keywords:		Cc:
Blocked By:		Blocking:
Notify when closed:		Platform:	all
Project:	ChimeraX

Description

The following bug report has been submitted:
Platform:        Darwin-20.2.0-x86_64-i386-64bit
ChimeraX Version: 1.1.1 (2020-10-07 08:32:49 UTC)
Description
Tried to calculate the electrostatic surface of parts of PDB model 6H03. KeyError raised.

Log:
UCSF ChimeraX version: 1.1.1 (2020-10-07)  
© 2016-2020 Regents of the University of California. All rights reserved.  

> open "/Users/james/Desktop/Project 1/J175/partial-model-in-map.cxs"

Log from Sun Feb 21 18:46:58 2021UCSF ChimeraX version: 1.1.1 (2020-10-07)  
© 2016-2020 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> open "/Users/james/Desktop/Project
> 1/J175/cryosparc_P1_J175_005_volume_map.mrc"

Opened cryosparc_P1_J175_005_volume_map.mrc, grid size 512,512,512, pixel
0.829, shown at level 0.156, step 2, values float32  

> open "/Users/james/Desktop/Project 1/Coot/CD59/6h03.cif"

Summary of feedback from opening /Users/james/Desktop/Project
1/Coot/CD59/6h03.cif  
---  
notes | Fetching CCD NAG from http://ligand-
expo.rcsb.org/reports/N/NAG/NAG.cif  
Fetching CCD BMA from http://ligand-expo.rcsb.org/reports/B/BMA/BMA.cif  
  
6h03.cif title:  
Open conformation of the membrane attack complex [more info...]  
  
Chain information for 6h03.cif #2  
---  
Chain | Description  
A | Complement C5,Complement C5  
B | Complement component C6  
C | Complement component C8 β chain  
D | Complement component C7  
E | Complement component C8 γ chain  
F | Complement component C8 α chain  
G H I J K L M N O P Q R S T U V W X | Complement component C9  
  
Non-standard residues in 6h03.cif #2  
---  
BMA — beta-D-mannopyranose (beta-D-mannose; D-mannose; mannose)  
NAG — 2-acetamido-2-deoxy-beta-D-glucopyranose (N-acetyl-beta-D-glucosamine;
2-acetamido-2-deoxy-beta-D-glucose; 2-acetamido-2-deoxy-D-glucose;
2-acetamido-2-deoxy-glucose; N-ACETYL-D-GLUCOSAMINE)  
  

> hide #!2 models

> show #!2 models

> ui tool show "Fit in Map"

Fit molecule 6h03.cif (#2) to map cryosparc_P1_J175_005_volume_map.mrc (#1)
using 102310 atoms  
average map value = 0.04612, steps = 236  
shifted from previous position = 30.1  
rotated from previous position = 12.2 degrees  
atoms outside contour = 92092, contour level = 0.15615  
  
Position of 6h03.cif (#2) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
0.98457646 -0.04305185 0.16957515 -21.25286647  
0.02260904 0.99243295 0.12068835 -36.00398287  
-0.17348782 -0.11499298 0.97809948 47.31504119  
Axis -0.55932699 0.81416875 0.15582866  
Axis point 258.77967435 0.00000000 182.02588351  
Rotation angle (degrees) 12.16237852  
Shift along axis -10.05297666  
  

> select #2

102310 atoms, 104690 bonds, 41 pseudobonds, 12857 residues, 2 models selected  

> ui mousemode right "translate selected models"

> ui mousemode right "rotate selected models"

Fit molecule 6h03.cif (#2) to map cryosparc_P1_J175_005_volume_map.mrc (#1)
using 102310 atoms  
average map value = 0.05197, steps = 580  
shifted from previous position = 26.4  
rotated from previous position = 27.1 degrees  
atoms outside contour = 90275, contour level = 0.15615  
  
Position of 6h03.cif (#2) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.86603229 -0.46451113 0.18497969 558.29623472  
0.09296857 0.21391093 0.97241913 -90.45384202  
-0.49126868 0.85934366 -0.14206883 163.67171438  
Axis -0.12796047 0.76526818 0.63086506  
Axis point 300.08268141 0.00000000 34.89190833  
Rotation angle (degrees) 153.77881950  
Shift along axis -37.40652666  
  
Fit map 6h03.cif map 5 in map cryosparc_P1_J175_005_volume_map.mrc using
403939 points  
correlation = 0.3893, correlation about mean = 0.01334, overlap = 7702  
steps = 312, shift = 20.9, angle = 18.6 degrees  
  
Position of 6h03.cif map 5 (#3) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.89642719 -0.24189122 0.37135821 466.73752100  
0.24723822 0.42247781 0.87200101 -172.35371691  
-0.36781999 0.87349936 -0.31891584 159.12443470  
Axis 0.00169046 0.83394794 0.55184053  
Axis point 260.10150872 0.00000000 71.17885452  
Rotation angle (degrees) 153.69304157  
Shift along axis -55.13371626  
  
Average map value = 0.05555 for 102310 atoms, 89244 outside contour  

> show #!3 models

> hide #!2 models

Fit map 6h03.cif map 5 in map cryosparc_P1_J175_005_volume_map.mrc using
403939 points  
correlation = 0.3893, correlation about mean = 0.01333, overlap = 7702  
steps = 60, shift = 0.0133, angle = 0.00343 degrees  
  
Position of 6h03.cif map 5 (#3) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.89644052 -0.24189572 0.37132311 466.74325392  
0.24722320 0.42242860 0.87202911 -172.33466309  
-0.36779762 0.87352191 -0.31887988 159.09938471  
Axis 0.00168430 0.83393367 0.55186212  
Axis point 260.09864373 0.00000000 71.16578331  
Rotation angle (degrees) 153.69475924  
Shift along axis -55.12861815  
  
Average map value = 0.05555 for 102310 atoms, 89234 outside contour  
Fit map 6h03.cif map 4 in map cryosparc_P1_J175_005_volume_map.mrc using
653491 points  
correlation = 0.3722, correlation about mean = 0.006427, overlap = 1.505e+04  
steps = 48, shift = 0.11, angle = 0.118 degrees  
  
Position of 6h03.cif map 4 (#3) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.89708393 -0.24224498 0.36953726 467.43745447  
0.24529203 0.42259472 0.87249385 -171.97652496  
-0.36752175 0.87334476 -0.31968217 159.37202313  
Axis 0.00096288 0.83404774 0.55169144  
Axis point 260.31239515 0.00000000 71.28912877  
Rotation angle (degrees) 153.77759986  
Shift along axis -55.06236565  
  
Average map value = 0.05558 for 102310 atoms, 89209 outside contour  

> show #!3 models

> show #!2 models

> hide #!3 models

Fit map 6h03.cif map 4 in map cryosparc_P1_J175_005_volume_map.mrc using
653491 points  
correlation = 0.4221, correlation about mean = 0.007103, overlap = 1.611e+04  
steps = 1212, shift = 96.4, angle = 61.9 degrees  
  
Position of 6h03.cif map 4 (#3) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.26551310 0.26737090 0.92629131 -29.30163373  
0.74298765 0.66901032 0.01986315 -94.93579495  
-0.61438762 0.69349693 -0.37628428 280.59723236  
Axis 0.38548876 0.88165769 0.27217297  
Axis point 101.33452077 0.00000000 162.32683527  
Rotation angle (degrees) 119.10381312  
Shift along axis -18.62534192  
  
Average map value = 0.0594 for 102310 atoms, 90727 outside contour  

> ui tool show "Show Sequence Viewer"

> sequence chain /X

Alignment identifier is 2/X  

> select /X

4005 atoms, 4095 bonds, 1 pseudobond, 503 residues, 2 models selected  

> delete atoms (#!2 & sel)

> delete bonds (#!2 & sel)

> select /W

3969 atoms, 4058 bonds, 1 pseudobond, 503 residues, 2 models selected  

> select /V

3979 atoms, 4069 bonds, 1 pseudobond, 503 residues, 2 models selected  

> delete atoms (#!2 & sel)

> delete bonds (#!2 & sel)

> select /W

3969 atoms, 4058 bonds, 1 pseudobond, 503 residues, 2 models selected  

> delete atoms (#!2 & sel)

> delete bonds (#!2 & sel)

> select /U

4005 atoms, 4095 bonds, 1 pseudobond, 503 residues, 2 models selected  

> delete atoms (#!2 & sel)

> delete bonds (#!2 & sel)

> lighting soft

> select /T

4005 atoms, 4095 bonds, 1 pseudobond, 503 residues, 2 models selected  

> delete atoms (#!2 & sel)

> delete bonds (#!2 & sel)

> select /S

4005 atoms, 4095 bonds, 1 pseudobond, 503 residues, 2 models selected  

> delete atoms (#!2 & sel)

> delete bonds (#!2 & sel)

> select /R

4005 atoms, 4095 bonds, 1 pseudobond, 503 residues, 2 models selected  

> delete atoms (#!2 & sel)

> delete bonds (#!2 & sel)

> select /Q

4005 atoms, 4095 bonds, 1 pseudobond, 503 residues, 2 models selected  

> delete atoms (#!2 & sel)

> delete bonds (#!2 & sel)

> select /P

4005 atoms, 4094 bonds, 1 pseudobond, 503 residues, 2 models selected  

> delete atoms (#!2 & sel)

> delete bonds (#!2 & sel)

> undo

Undo failed, probably because structures have been modified.  

> hide #!2 models

> show #!2 models

> select #2

66327 atoms, 67890 bonds, 32 pseudobonds, 8330 residues, 2 models selected  

> close #2

> select #3

2 models selected  

> close #3

> ui mousemode right translate

> open "/Users/james/Desktop/Project 1/Coot/CD59/6h03.cif"

6h03.cif title:  
Open conformation of the membrane attack complex [more info...]  
  
Chain information for 6h03.cif #2  
---  
Chain | Description  
A | Complement C5,Complement C5  
B | Complement component C6  
C | Complement component C8 β chain  
D | Complement component C7  
E | Complement component C8 γ chain  
F | Complement component C8 α chain  
G H I J K L M N O P Q R S T U V W X | Complement component C9  
  
Non-standard residues in 6h03.cif #2  
---  
BMA — beta-D-mannopyranose (beta-D-mannose; D-mannose; mannose)  
NAG — 2-acetamido-2-deoxy-beta-D-glucopyranose (N-acetyl-beta-D-glucosamine;
2-acetamido-2-deoxy-beta-D-glucose; 2-acetamido-2-deoxy-D-glucose;
2-acetamido-2-deoxy-glucose; N-ACETYL-D-GLUCOSAMINE)  
  

> select /X

4005 atoms, 4095 bonds, 1 pseudobond, 503 residues, 2 models selected  

> split #2 chains

Split 6h03.cif (#2) into 45 models  
Chain information for 6h03.cif A #2.1  
---  
Chain | Description  
A | No description available  
  
Chain information for 6h03.cif B #2.2  
---  
Chain | Description  
B | No description available  
  
Chain information for 6h03.cif C #2.3  
---  
Chain | Description  
C | No description available  
  
Chain information for 6h03.cif D #2.4  
---  
Chain | Description  
D | No description available  
  
Chain information for 6h03.cif E #2.5  
---  
Chain | Description  
E | No description available  
  
Chain information for 6h03.cif F #2.6  
---  
Chain | Description  
F | No description available  
  
Chain information for 6h03.cif G #2.7  
---  
Chain | Description  
G | No description available  
  
Chain information for 6h03.cif H #2.8  
---  
Chain | Description  
H | No description available  
  
Chain information for 6h03.cif I #2.9  
---  
Chain | Description  
I | No description available  
  
Chain information for 6h03.cif J #2.10  
---  
Chain | Description  
J | No description available  
  
Chain information for 6h03.cif K #2.11  
---  
Chain | Description  
K | No description available  
  
Chain information for 6h03.cif L #2.12  
---  
Chain | Description  
L | No description available  
  
Chain information for 6h03.cif M #2.13  
---  
Chain | Description  
M | No description available  
  
Chain information for 6h03.cif N #2.14  
---  
Chain | Description  
N | No description available  
  
Chain information for 6h03.cif O #2.15  
---  
Chain | Description  
O | No description available  
  
Chain information for 6h03.cif P #2.16  
---  
Chain | Description  
P | No description available  
  
Chain information for 6h03.cif Q #2.17  
---  
Chain | Description  
Q | No description available  
  
Chain information for 6h03.cif R #2.18  
---  
Chain | Description  
R | No description available  
  
Chain information for 6h03.cif S #2.19  
---  
Chain | Description  
S | No description available  
  
Chain information for 6h03.cif T #2.20  
---  
Chain | Description  
T | No description available  
  
Chain information for 6h03.cif U #2.21  
---  
Chain | Description  
U | No description available  
  
Chain information for 6h03.cif V #2.22  
---  
Chain | Description  
V | No description available  
  
Chain information for 6h03.cif W #2.23  
---  
Chain | Description  
W | No description available  
  
Chain information for 6h03.cif X #2.24  
---  
Chain | Description  
X | No description available  
  

> hide #2.45 models

> show #2.45 models

> hide #!2.1 models

> show #!2.1 models

> select #2.6

4031 atoms, 4123 bonds, 5 pseudobonds, 512 residues, 2 models selected  

> ~select #2.6

Nothing selected  

> select #2.24

4005 atoms, 4095 bonds, 1 pseudobond, 503 residues, 2 models selected  

> select #2.23

3969 atoms, 4058 bonds, 1 pseudobond, 503 residues, 2 models selected  

> select #2.24

4005 atoms, 4095 bonds, 1 pseudobond, 503 residues, 2 models selected  

> select #2.23

3969 atoms, 4058 bonds, 1 pseudobond, 503 residues, 2 models selected  

> select #2.24

4005 atoms, 4095 bonds, 1 pseudobond, 503 residues, 2 models selected  

> select #2.24,2.23

Nothing selected  

> select #2/X,W,V

11953 atoms, 12222 bonds, 3 pseudobonds, 1509 residues, 6 models selected  

> select #2/D

5129 atoms, 5268 bonds, 3 pseudobonds, 657 residues, 2 models selected  

> select #2/A

9686 atoms, 9905 bonds, 5 pseudobonds, 1223 residues, 2 models selected  

> select #2/B

5427 atoms, 5563 bonds, 6 pseudobonds, 690 residues, 2 models selected  

> select #2/C

4119 atoms, 4223 bonds, 3 pseudobonds, 513 residues, 2 models selected  

> select #2/D

5129 atoms, 5268 bonds, 3 pseudobonds, 657 residues, 2 models selected  

> select #2/E

1295 atoms, 1324 bonds, 1 pseudobond, 165 residues, 2 models selected  

> select #2/F

4031 atoms, 4123 bonds, 5 pseudobonds, 512 residues, 2 models selected  

> select #2/G

4005 atoms, 4094 bonds, 1 pseudobond, 503 residues, 2 models selected  

> select #2/H

4005 atoms, 4095 bonds, 1 pseudobond, 503 residues, 2 models selected  

> select #2/I

4005 atoms, 4095 bonds, 1 pseudobond, 503 residues, 2 models selected  

> select #2/J

4005 atoms, 4095 bonds, 1 pseudobond, 503 residues, 2 models selected  

> select #2/K

4005 atoms, 4095 bonds, 1 pseudobond, 503 residues, 2 models selected  

> select #2/K-Z

56071 atoms, 57332 bonds, 14 pseudobonds, 7047 residues, 30 models selected  

> select #2/K-Y

56043 atoms, 57303 bonds, 14 pseudobonds, 7045 residues, 29 models selected  

> select #2/K-X

56004 atoms, 57262 bonds, 14 pseudobonds, 7042 residues, 28 models selected  

> select #2/K-W

51999 atoms, 53167 bonds, 13 pseudobonds, 6539 residues, 26 models selected  

> select #2/K-X

56004 atoms, 57262 bonds, 14 pseudobonds, 7042 residues, 28 models selected  

> hide #!2.11 models

> show #!2.11 models

> hide #!2.11 models

> show #!2.11 models

> hide #!2.12 models

> show #!2.12 models

> hide #!2.13 models

> show #!2.13 models

> hide #!2.14 models

> show #!2.14 models

> hide #!2.15 models

> show #!2.15 models

> hide #!2.16 models

> show #!2.16 models

> hide #!2.16 models

> show #!2.16 models

> select #2/K-O,Q-X

51999 atoms, 53168 bonds, 13 pseudobonds, 6539 residues, 26 models selected  

> hide #!2.17 models

> show #!2.17 models

> hide #!2.17 models

> show #!2.17 models

> hide #!2.18 models

> show #!2.18 models

> hide #!2.19 models

> show #!2.19 models

> hide #!2.20 models

> show #!2.20 models

> hide #!2.21 models

> show #!2.21 models

> hide #!2.22 models

> show #!2.22 models

> hide #!2.23 models

> show #!2.23 models

> hide #!2.24 models

> show #!2.24 models

> delete atoms (#!2.11-15,17-24 & sel)

> delete bonds (#!2.11-15,17-24 & sel)

> select #2.45

28 atoms, 29 bonds, 2 residues, 1 model selected  

> select #2.44

28 atoms, 29 bonds, 2 residues, 1 model selected  

> select #2/a-z

50311 atoms, 51500 bonds, 28 pseudobonds, 6318 residues, 43 models selected  

> select #2/a

9714 atoms, 9934 bonds, 5 pseudobonds, 1225 residues, 3 models selected  

> ~select #2.27

9686 atoms, 9905 bonds, 5 pseudobonds, 1223 residues, 2 models selected  

> select #2.27

28 atoms, 29 bonds, 2 residues, 1 model selected  

> select #2.28

28 atoms, 29 bonds, 2 residues, 1 model selected  

> select #2.27

28 atoms, 29 bonds, 2 residues, 1 model selected  

> ~select #2.27

Nothing selected  

> select #2.28

28 atoms, 29 bonds, 2 residues, 1 model selected  

> ~select #2.28

Nothing selected  

> select #2.29

28 atoms, 29 bonds, 2 residues, 1 model selected  

> ~select #2.29

Nothing selected  

> select #2.30

28 atoms, 29 bonds, 2 residues, 1 model selected  

> ~select #2.30

Nothing selected  

> select #2.31

28 atoms, 29 bonds, 2 residues, 1 model selected  

> ~select #2.31

Nothing selected  

> select #2.32

28 atoms, 29 bonds, 2 residues, 1 model selected  

> ~select #2.32

Nothing selected  

> select #2.33

28 atoms, 29 bonds, 2 residues, 1 model selected  

> delete atoms sel

> delete bonds sel

> select #2.45

28 atoms, 29 bonds, 2 residues, 1 model selected  

> delete atoms sel

> delete bonds sel

> select #2.44

28 atoms, 29 bonds, 2 residues, 1 model selected  

> delete atoms sel

> delete bonds sel

> select #2.43

28 atoms, 29 bonds, 2 residues, 1 model selected  

> delete atoms sel

> delete bonds sel

> select #2.42

28 atoms, 29 bonds, 2 residues, 1 model selected  

> delete atoms sel

> delete bonds sel

> select #2.41

28 atoms, 29 bonds, 2 residues, 1 model selected  

> delete atoms sel

> delete bonds sel

> select #2.40

28 atoms, 29 bonds, 2 residues, 1 model selected  

> delete atoms sel

> delete bonds sel

> select #2.39

28 atoms, 29 bonds, 2 residues, 1 model selected  

> delete atoms sel

> delete bonds sel

> select #2.38

28 atoms, 29 bonds, 2 residues, 1 model selected  

> delete atoms sel

> delete bonds sel

> select #2.37

28 atoms, 29 bonds, 2 residues, 1 model selected  

> delete atoms sel

> delete bonds sel

> select #2.36

28 atoms, 29 bonds, 2 residues, 1 model selected  

> delete atoms sel

> delete bonds sel

> select #2.35

28 atoms, 29 bonds, 2 residues, 1 model selected  

> delete atoms sel

> delete bonds sel

> select #2.34

28 atoms, 29 bonds, 2 residues, 1 model selected  

> delete atoms sel

> delete bonds sel

> select #2.32

28 atoms, 29 bonds, 2 residues, 1 model selected  

> ~select #2.32

Nothing selected  

> select #2.31

28 atoms, 29 bonds, 2 residues, 1 model selected  

> ~select #2.31

Nothing selected  

> select #2.30

28 atoms, 29 bonds, 2 residues, 1 model selected  

> ~select #2.30

Nothing selected  

> select #2.29

28 atoms, 29 bonds, 2 residues, 1 model selected  

> ~select #2.29

Nothing selected  

> select #2.29

28 atoms, 29 bonds, 2 residues, 1 model selected  

> select #2.28

28 atoms, 29 bonds, 2 residues, 1 model selected  

> select #2.27

28 atoms, 29 bonds, 2 residues, 1 model selected  

> ~select #2.27

Nothing selected  

> select #2.26

28 atoms, 29 bonds, 2 residues, 1 model selected  

> ~select #2.26

Nothing selected  

> select #2.25

39 atoms, 41 bonds, 3 residues, 1 model selected  

> select #2.16

4005 atoms, 4094 bonds, 1 pseudobond, 503 residues, 2 models selected  

> select #2.10

4005 atoms, 4095 bonds, 1 pseudobond, 503 residues, 2 models selected  

> ~select #2.10

Nothing selected  

> save combined.pdb #2

> open /Users/james/Desktop/combined.pdb

Chain information for combined.pdb  
---  
Chain | Description  
3.1/A | No description available  
3.2/B | No description available  
3.3/C | No description available  
3.4/D | No description available  
3.5/E | No description available  
3.6/F | No description available  
3.7/G 3.8/H 3.9/I 3.10/J 3.11/P | No description available  
  

> hide #!2 models

> select #3

49947 atoms, 51123 bonds, 55 pseudobonds, 6292 residues, 31 models selected  

> fitmap #3 #1

Missing required "in_map" argument  

> fitmap #3 inMap #1

Fit molecules combined.pdb (#3.1), combined.pdb (#3.2), combined.pdb (#3.3),
combined.pdb (#3.4), combined.pdb (#3.5), combined.pdb (#3.6), combined.pdb
(#3.7), combined.pdb (#3.8), combined.pdb (#3.9), combined.pdb (#3.10),
combined.pdb (#3.11), combined.pdb (#3.12), combined.pdb (#3.13), combined.pdb
(#3.14), combined.pdb (#3.15), combined.pdb (#3.16), combined.pdb (#3.17),
combined.pdb (#3.18), combined.pdb (#3.19) to map
cryosparc_P1_J175_005_volume_map.mrc (#1) using 49947 atoms  
average map value = 0.1246, steps = 1596  
shifted from previous position = 80.3  
rotated from previous position = 91.6 degrees  
atoms outside contour = 34701, contour level = 0.15615  
  
Position of combined.pdb (#3.1) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.00252387 -0.12519362 0.99212912 56.51994505  
0.42912669 0.89600160 0.11415524 -180.22574515  
-0.90324079 0.42603719 0.05146253 310.42575915  
Axis 0.15600010 0.94804428 0.27726524  
Axis point 213.16823362 0.00000000 146.48723534  
Rotation angle (degrees) 91.57754443  
Shift along axis -75.97459681  
  
Position of combined.pdb (#3.2) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.00252387 -0.12519362 0.99212912 56.51994505  
0.42912669 0.89600160 0.11415524 -180.22574515  
-0.90324079 0.42603719 0.05146253 310.42575915  
Axis 0.15600010 0.94804428 0.27726524  
Axis point 213.16823362 0.00000000 146.48723534  
Rotation angle (degrees) 91.57754443  
Shift along axis -75.97459681  
  
Position of combined.pdb (#3.3) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.00252387 -0.12519362 0.99212912 56.51994505  
0.42912669 0.89600160 0.11415524 -180.22574515  
-0.90324079 0.42603719 0.05146253 310.42575915  
Axis 0.15600010 0.94804428 0.27726524  
Axis point 213.16823362 0.00000000 146.48723534  
Rotation angle (degrees) 91.57754443  
Shift along axis -75.97459681  
  
Position of combined.pdb (#3.4) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.00252387 -0.12519362 0.99212912 56.51994505  
0.42912669 0.89600160 0.11415524 -180.22574515  
-0.90324079 0.42603719 0.05146253 310.42575915  
Axis 0.15600010 0.94804428 0.27726524  
Axis point 213.16823362 0.00000000 146.48723534  
Rotation angle (degrees) 91.57754443  
Shift along axis -75.97459681  
  
Position of combined.pdb (#3.5) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.00252387 -0.12519362 0.99212912 56.51994505  
0.42912669 0.89600160 0.11415524 -180.22574515  
-0.90324079 0.42603719 0.05146253 310.42575915  
Axis 0.15600010 0.94804428 0.27726524  
Axis point 213.16823362 0.00000000 146.48723534  
Rotation angle (degrees) 91.57754443  
Shift along axis -75.97459681  
  
Position of combined.pdb (#3.6) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.00252387 -0.12519362 0.99212912 56.51994505  
0.42912669 0.89600160 0.11415524 -180.22574515  
-0.90324079 0.42603719 0.05146253 310.42575915  
Axis 0.15600010 0.94804428 0.27726524  
Axis point 213.16823362 0.00000000 146.48723534  
Rotation angle (degrees) 91.57754443  
Shift along axis -75.97459681  
  
Position of combined.pdb (#3.7) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.00252387 -0.12519362 0.99212912 56.51994505  
0.42912669 0.89600160 0.11415524 -180.22574515  
-0.90324079 0.42603719 0.05146253 310.42575915  
Axis 0.15600010 0.94804428 0.27726524  
Axis point 213.16823362 0.00000000 146.48723534  
Rotation angle (degrees) 91.57754443  
Shift along axis -75.97459681  
  
Position of combined.pdb (#3.8) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.00252387 -0.12519362 0.99212912 56.51994505  
0.42912669 0.89600160 0.11415524 -180.22574515  
-0.90324079 0.42603719 0.05146253 310.42575915  
Axis 0.15600010 0.94804428 0.27726524  
Axis point 213.16823362 0.00000000 146.48723534  
Rotation angle (degrees) 91.57754443  
Shift along axis -75.97459681  
  
Position of combined.pdb (#3.9) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.00252387 -0.12519362 0.99212912 56.51994505  
0.42912669 0.89600160 0.11415524 -180.22574515  
-0.90324079 0.42603719 0.05146253 310.42575915  
Axis 0.15600010 0.94804428 0.27726524  
Axis point 213.16823362 0.00000000 146.48723534  
Rotation angle (degrees) 91.57754443  
Shift along axis -75.97459681  
  
Position of combined.pdb (#3.10) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.00252387 -0.12519362 0.99212912 56.51994505  
0.42912669 0.89600160 0.11415524 -180.22574515  
-0.90324079 0.42603719 0.05146253 310.42575915  
Axis 0.15600010 0.94804428 0.27726524  
Axis point 213.16823362 0.00000000 146.48723534  
Rotation angle (degrees) 91.57754443  
Shift along axis -75.97459681  
  
Position of combined.pdb (#3.11) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.00252387 -0.12519362 0.99212912 56.51994505  
0.42912669 0.89600160 0.11415524 -180.22574515  
-0.90324079 0.42603719 0.05146253 310.42575915  
Axis 0.15600010 0.94804428 0.27726524  
Axis point 213.16823362 0.00000000 146.48723534  
Rotation angle (degrees) 91.57754443  
Shift along axis -75.97459681  
  
Position of combined.pdb (#3.12) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.00252387 -0.12519362 0.99212912 56.51994505  
0.42912669 0.89600160 0.11415524 -180.22574515  
-0.90324079 0.42603719 0.05146253 310.42575915  
Axis 0.15600010 0.94804428 0.27726524  
Axis point 213.16823362 0.00000000 146.48723534  
Rotation angle (degrees) 91.57754443  
Shift along axis -75.97459681  
  
Position of combined.pdb (#3.13) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.00252387 -0.12519362 0.99212912 56.51994505  
0.42912669 0.89600160 0.11415524 -180.22574515  
-0.90324079 0.42603719 0.05146253 310.42575915  
Axis 0.15600010 0.94804428 0.27726524  
Axis point 213.16823362 0.00000000 146.48723534  
Rotation angle (degrees) 91.57754443  
Shift along axis -75.97459681  
  
Position of combined.pdb (#3.14) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.00252387 -0.12519362 0.99212912 56.51994505  
0.42912669 0.89600160 0.11415524 -180.22574515  
-0.90324079 0.42603719 0.05146253 310.42575915  
Axis 0.15600010 0.94804428 0.27726524  
Axis point 213.16823362 0.00000000 146.48723534  
Rotation angle (degrees) 91.57754443  
Shift along axis -75.97459681  
  
Position of combined.pdb (#3.15) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.00252387 -0.12519362 0.99212912 56.51994505  
0.42912669 0.89600160 0.11415524 -180.22574515  
-0.90324079 0.42603719 0.05146253 310.42575915  
Axis 0.15600010 0.94804428 0.27726524  
Axis point 213.16823362 0.00000000 146.48723534  
Rotation angle (degrees) 91.57754443  
Shift along axis -75.97459681  
  
Position of combined.pdb (#3.16) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.00252387 -0.12519362 0.99212912 56.51994505  
0.42912669 0.89600160 0.11415524 -180.22574515  
-0.90324079 0.42603719 0.05146253 310.42575915  
Axis 0.15600010 0.94804428 0.27726524  
Axis point 213.16823362 0.00000000 146.48723534  
Rotation angle (degrees) 91.57754443  
Shift along axis -75.97459681  
  
Position of combined.pdb (#3.17) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.00252387 -0.12519362 0.99212912 56.51994505  
0.42912669 0.89600160 0.11415524 -180.22574515  
-0.90324079 0.42603719 0.05146253 310.42575915  
Axis 0.15600010 0.94804428 0.27726524  
Axis point 213.16823362 0.00000000 146.48723534  
Rotation angle (degrees) 91.57754443  
Shift along axis -75.97459681  
  
Position of combined.pdb (#3.18) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.00252387 -0.12519362 0.99212912 56.51994505  
0.42912669 0.89600160 0.11415524 -180.22574515  
-0.90324079 0.42603719 0.05146253 310.42575915  
Axis 0.15600010 0.94804428 0.27726524  
Axis point 213.16823362 0.00000000 146.48723534  
Rotation angle (degrees) 91.57754443  
Shift along axis -75.97459681  
  
Position of combined.pdb (#3.19) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.00252387 -0.12519362 0.99212912 56.51994505  
0.42912669 0.89600160 0.11415524 -180.22574515  
-0.90324079 0.42603719 0.05146253 310.42575915  
Axis 0.15600010 0.94804428 0.27726524  
Axis point 213.16823362 0.00000000 146.48723534  
Rotation angle (degrees) 91.57754443  
Shift along axis -75.97459681  
  

> ~select #3

Nothing selected  

> select #3

49947 atoms, 51123 bonds, 55 pseudobonds, 6292 residues, 31 models selected  

> cartoon hide (#3.12-19#!3.1-11 & sel)

> hide #* target a

> show (#3.12-19#!3.1-11 & sel) target ab

> style (#3.12-19#!3.1-11 & sel) sphere

Changed 49947 atom styles  

> show #!2 models

> hide #!3 models

> ~select #3

Nothing selected  

> select #2

49947 atoms, 51123 bonds, 28 pseudobonds, 6292 residues, 31 models selected  

> style (#2.25-32#!2.1-10,16 & sel) sphere

Changed 49947 atom styles  

> hide #* target a

> show (#2.25-32#!2.1-10,16 & sel) target ab

> fitmap #2 inMap #1

Fit molecules 6h03.cif A (#2.1), 6h03.cif B (#2.2), 6h03.cif C (#2.3),
6h03.cif D (#2.4), 6h03.cif E (#2.5), 6h03.cif F (#2.6), 6h03.cif G (#2.7),
6h03.cif H (#2.8), 6h03.cif I (#2.9), 6h03.cif J (#2.10), 6h03.cif P (#2.16),
6h03.cif Y (#2.25), 6h03.cif Z (#2.26), 6h03.cif a (#2.27), 6h03.cif b
(#2.28), 6h03.cif c (#2.29), 6h03.cif d (#2.30), 6h03.cif e (#2.31), 6h03.cif
f (#2.32) to map cryosparc_P1_J175_005_volume_map.mrc (#1) using 49947 atoms  
average map value = 0.1246, steps = 1596  
shifted from previous position = 80.3  
rotated from previous position = 91.6 degrees  
atoms outside contour = 34701, contour level = 0.15615  
  
Position of 6h03.cif A (#2.1) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.00252387 -0.12519362 0.99212912 56.51994505  
0.42912669 0.89600160 0.11415524 -180.22574515  
-0.90324079 0.42603719 0.05146253 310.42575915  
Axis 0.15600010 0.94804428 0.27726524  
Axis point 213.16823362 0.00000000 146.48723534  
Rotation angle (degrees) 91.57754443  
Shift along axis -75.97459681  
  
Position of 6h03.cif B (#2.2) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.00252387 -0.12519362 0.99212912 56.51994505  
0.42912669 0.89600160 0.11415524 -180.22574515  
-0.90324079 0.42603719 0.05146253 310.42575915  
Axis 0.15600010 0.94804428 0.27726524  
Axis point 213.16823362 0.00000000 146.48723534  
Rotation angle (degrees) 91.57754443  
Shift along axis -75.97459681  
  
Position of 6h03.cif C (#2.3) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.00252387 -0.12519362 0.99212912 56.51994505  
0.42912669 0.89600160 0.11415524 -180.22574515  
-0.90324079 0.42603719 0.05146253 310.42575915  
Axis 0.15600010 0.94804428 0.27726524  
Axis point 213.16823362 0.00000000 146.48723534  
Rotation angle (degrees) 91.57754443  
Shift along axis -75.97459681  
  
Position of 6h03.cif D (#2.4) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.00252387 -0.12519362 0.99212912 56.51994505  
0.42912669 0.89600160 0.11415524 -180.22574515  
-0.90324079 0.42603719 0.05146253 310.42575915  
Axis 0.15600010 0.94804428 0.27726524  
Axis point 213.16823362 0.00000000 146.48723534  
Rotation angle (degrees) 91.57754443  
Shift along axis -75.97459681  
  
Position of 6h03.cif E (#2.5) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.00252387 -0.12519362 0.99212912 56.51994505  
0.42912669 0.89600160 0.11415524 -180.22574515  
-0.90324079 0.42603719 0.05146253 310.42575915  
Axis 0.15600010 0.94804428 0.27726524  
Axis point 213.16823362 0.00000000 146.48723534  
Rotation angle (degrees) 91.57754443  
Shift along axis -75.97459681  
  
Position of 6h03.cif F (#2.6) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.00252387 -0.12519362 0.99212912 56.51994505  
0.42912669 0.89600160 0.11415524 -180.22574515  
-0.90324079 0.42603719 0.05146253 310.42575915  
Axis 0.15600010 0.94804428 0.27726524  
Axis point 213.16823362 0.00000000 146.48723534  
Rotation angle (degrees) 91.57754443  
Shift along axis -75.97459681  
  
Position of 6h03.cif G (#2.7) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.00252387 -0.12519362 0.99212912 56.51994505  
0.42912669 0.89600160 0.11415524 -180.22574515  
-0.90324079 0.42603719 0.05146253 310.42575915  
Axis 0.15600010 0.94804428 0.27726524  
Axis point 213.16823362 0.00000000 146.48723534  
Rotation angle (degrees) 91.57754443  
Shift along axis -75.97459681  
  
Position of 6h03.cif H (#2.8) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.00252387 -0.12519362 0.99212912 56.51994505  
0.42912669 0.89600160 0.11415524 -180.22574515  
-0.90324079 0.42603719 0.05146253 310.42575915  
Axis 0.15600010 0.94804428 0.27726524  
Axis point 213.16823362 0.00000000 146.48723534  
Rotation angle (degrees) 91.57754443  
Shift along axis -75.97459681  
  
Position of 6h03.cif I (#2.9) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.00252387 -0.12519362 0.99212912 56.51994505  
0.42912669 0.89600160 0.11415524 -180.22574515  
-0.90324079 0.42603719 0.05146253 310.42575915  
Axis 0.15600010 0.94804428 0.27726524  
Axis point 213.16823362 0.00000000 146.48723534  
Rotation angle (degrees) 91.57754443  
Shift along axis -75.97459681  
  
Position of 6h03.cif J (#2.10) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.00252387 -0.12519362 0.99212912 56.51994505  
0.42912669 0.89600160 0.11415524 -180.22574515  
-0.90324079 0.42603719 0.05146253 310.42575915  
Axis 0.15600010 0.94804428 0.27726524  
Axis point 213.16823362 0.00000000 146.48723534  
Rotation angle (degrees) 91.57754443  
Shift along axis -75.97459681  
  
Position of 6h03.cif P (#2.16) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.00252387 -0.12519362 0.99212912 56.51994505  
0.42912669 0.89600160 0.11415524 -180.22574515  
-0.90324079 0.42603719 0.05146253 310.42575915  
Axis 0.15600010 0.94804428 0.27726524  
Axis point 213.16823362 0.00000000 146.48723534  
Rotation angle (degrees) 91.57754443  
Shift along axis -75.97459681  
  
Position of 6h03.cif Y (#2.25) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.00252387 -0.12519362 0.99212912 56.51994505  
0.42912669 0.89600160 0.11415524 -180.22574515  
-0.90324079 0.42603719 0.05146253 310.42575915  
Axis 0.15600010 0.94804428 0.27726524  
Axis point 213.16823362 0.00000000 146.48723534  
Rotation angle (degrees) 91.57754443  
Shift along axis -75.97459681  
  
Position of 6h03.cif Z (#2.26) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.00252387 -0.12519362 0.99212912 56.51994505  
0.42912669 0.89600160 0.11415524 -180.22574515  
-0.90324079 0.42603719 0.05146253 310.42575915  
Axis 0.15600010 0.94804428 0.27726524  
Axis point 213.16823362 0.00000000 146.48723534  
Rotation angle (degrees) 91.57754443  
Shift along axis -75.97459681  
  
Position of 6h03.cif a (#2.27) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.00252387 -0.12519362 0.99212912 56.51994505  
0.42912669 0.89600160 0.11415524 -180.22574515  
-0.90324079 0.42603719 0.05146253 310.42575915  
Axis 0.15600010 0.94804428 0.27726524  
Axis point 213.16823362 0.00000000 146.48723534  
Rotation angle (degrees) 91.57754443  
Shift along axis -75.97459681  
  
Position of 6h03.cif b (#2.28) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.00252387 -0.12519362 0.99212912 56.51994505  
0.42912669 0.89600160 0.11415524 -180.22574515  
-0.90324079 0.42603719 0.05146253 310.42575915  
Axis 0.15600010 0.94804428 0.27726524  
Axis point 213.16823362 0.00000000 146.48723534  
Rotation angle (degrees) 91.57754443  
Shift along axis -75.97459681  
  
Position of 6h03.cif c (#2.29) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.00252387 -0.12519362 0.99212912 56.51994505  
0.42912669 0.89600160 0.11415524 -180.22574515  
-0.90324079 0.42603719 0.05146253 310.42575915  
Axis 0.15600010 0.94804428 0.27726524  
Axis point 213.16823362 0.00000000 146.48723534  
Rotation angle (degrees) 91.57754443  
Shift along axis -75.97459681  
  
Position of 6h03.cif d (#2.30) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.00252387 -0.12519362 0.99212912 56.51994505  
0.42912669 0.89600160 0.11415524 -180.22574515  
-0.90324079 0.42603719 0.05146253 310.42575915  
Axis 0.15600010 0.94804428 0.27726524  
Axis point 213.16823362 0.00000000 146.48723534  
Rotation angle (degrees) 91.57754443  
Shift along axis -75.97459681  
  
Position of 6h03.cif e (#2.31) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.00252387 -0.12519362 0.99212912 56.51994505  
0.42912669 0.89600160 0.11415524 -180.22574515  
-0.90324079 0.42603719 0.05146253 310.42575915  
Axis 0.15600010 0.94804428 0.27726524  
Axis point 213.16823362 0.00000000 146.48723534  
Rotation angle (degrees) 91.57754443  
Shift along axis -75.97459681  
  
Position of 6h03.cif f (#2.32) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.00252387 -0.12519362 0.99212912 56.51994505  
0.42912669 0.89600160 0.11415524 -180.22574515  
-0.90324079 0.42603719 0.05146253 310.42575915  
Axis 0.15600010 0.94804428 0.27726524  
Axis point 213.16823362 0.00000000 146.48723534  
Rotation angle (degrees) 91.57754443  
Shift along axis -75.97459681  
  

> ui mousemode right "rotate selected models"

> lighting simple

> ui mousemode right translate

> ui mousemode right "translate selected models"

> fitmap #2 inMap #1

Fit molecules 6h03.cif A (#2.1), 6h03.cif B (#2.2), 6h03.cif C (#2.3),
6h03.cif D (#2.4), 6h03.cif E (#2.5), 6h03.cif F (#2.6), 6h03.cif G (#2.7),
6h03.cif H (#2.8), 6h03.cif I (#2.9), 6h03.cif J (#2.10), 6h03.cif P (#2.16),
6h03.cif Y (#2.25), 6h03.cif Z (#2.26), 6h03.cif a (#2.27), 6h03.cif b
(#2.28), 6h03.cif c (#2.29), 6h03.cif d (#2.30), 6h03.cif e (#2.31), 6h03.cif
f (#2.32) to map cryosparc_P1_J175_005_volume_map.mrc (#1) using 49947 atoms  
average map value = 0.1501, steps = 492  
shifted from previous position = 43.1  
rotated from previous position = 34 degrees  
atoms outside contour = 30634, contour level = 0.15615  
  
Position of 6h03.cif A (#2.1) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
0.21813011 0.38856341 0.89523055 -144.74046275  
0.49249688 0.74811673 -0.44471135 -73.35708776  
-0.84253550 0.53790319 -0.02817949 305.15461403  
Axis 0.49154300 0.86929992 0.05199167  
Axis point 121.98498938 -0.00000000 202.85129157  
Rotation angle (degrees) 91.77452345  
Shift along axis -119.04997260  
  
Position of 6h03.cif B (#2.2) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
0.21813011 0.38856341 0.89523055 -144.74046275  
0.49249688 0.74811673 -0.44471135 -73.35708776  
-0.84253550 0.53790319 -0.02817949 305.15461403  
Axis 0.49154300 0.86929992 0.05199167  
Axis point 121.98498938 -0.00000000 202.85129157  
Rotation angle (degrees) 91.77452345  
Shift along axis -119.04997260  
  
Position of 6h03.cif C (#2.3) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
0.21813011 0.38856341 0.89523055 -144.74046275  
0.49249688 0.74811673 -0.44471135 -73.35708776  
-0.84253550 0.53790319 -0.02817949 305.15461403  
Axis 0.49154300 0.86929992 0.05199167  
Axis point 121.98498938 -0.00000000 202.85129157  
Rotation angle (degrees) 91.77452345  
Shift along axis -119.04997260  
  
Position of 6h03.cif D (#2.4) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
0.21813011 0.38856341 0.89523055 -144.74046275  
0.49249688 0.74811673 -0.44471135 -73.35708776  
-0.84253550 0.53790319 -0.02817949 305.15461403  
Axis 0.49154300 0.86929992 0.05199167  
Axis point 121.98498938 -0.00000000 202.85129157  
Rotation angle (degrees) 91.77452345  
Shift along axis -119.04997260  
  
Position of 6h03.cif E (#2.5) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
0.21813011 0.38856341 0.89523055 -144.74046275  
0.49249688 0.74811673 -0.44471135 -73.35708776  
-0.84253550 0.53790319 -0.02817949 305.15461403  
Axis 0.49154300 0.86929992 0.05199167  
Axis point 121.98498938 -0.00000000 202.85129157  
Rotation angle (degrees) 91.77452345  
Shift along axis -119.04997260  
  
Position of 6h03.cif F (#2.6) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
0.21813011 0.38856341 0.89523055 -144.74046275  
0.49249688 0.74811673 -0.44471135 -73.35708776  
-0.84253550 0.53790319 -0.02817949 305.15461403  
Axis 0.49154300 0.86929992 0.05199167  
Axis point 121.98498938 -0.00000000 202.85129157  
Rotation angle (degrees) 91.77452345  
Shift along axis -119.04997260  
  
Position of 6h03.cif G (#2.7) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
0.21813011 0.38856341 0.89523055 -144.74046275  
0.49249688 0.74811673 -0.44471135 -73.35708776  
-0.84253550 0.53790319 -0.02817949 305.15461403  
Axis 0.49154300 0.86929992 0.05199167  
Axis point 121.98498938 -0.00000000 202.85129157  
Rotation angle (degrees) 91.77452345  
Shift along axis -119.04997260  
  
Position of 6h03.cif H (#2.8) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
0.21813011 0.38856341 0.89523055 -144.74046275  
0.49249688 0.74811673 -0.44471135 -73.35708776  
-0.84253550 0.53790319 -0.02817949 305.15461403  
Axis 0.49154300 0.86929992 0.05199167  
Axis point 121.98498938 -0.00000000 202.85129157  
Rotation angle (degrees) 91.77452345  
Shift along axis -119.04997260  
  
Position of 6h03.cif I (#2.9) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
0.21813011 0.38856341 0.89523055 -144.74046275  
0.49249688 0.74811673 -0.44471135 -73.35708776  
-0.84253550 0.53790319 -0.02817949 305.15461403  
Axis 0.49154300 0.86929992 0.05199167  
Axis point 121.98498938 -0.00000000 202.85129157  
Rotation angle (degrees) 91.77452345  
Shift along axis -119.04997260  
  
Position of 6h03.cif J (#2.10) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
0.21813011 0.38856341 0.89523055 -144.74046275  
0.49249688 0.74811673 -0.44471135 -73.35708776  
-0.84253550 0.53790319 -0.02817949 305.15461403  
Axis 0.49154300 0.86929992 0.05199167  
Axis point 121.98498938 -0.00000000 202.85129157  
Rotation angle (degrees) 91.77452345  
Shift along axis -119.04997260  
  
Position of 6h03.cif P (#2.16) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
0.21813011 0.38856341 0.89523055 -144.74046275  
0.49249688 0.74811673 -0.44471135 -73.35708776  
-0.84253550 0.53790319 -0.02817949 305.15461403  
Axis 0.49154300 0.86929992 0.05199167  
Axis point 121.98498938 -0.00000000 202.85129157  
Rotation angle (degrees) 91.77452345  
Shift along axis -119.04997260  
  
Position of 6h03.cif Y (#2.25) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
0.21813011 0.38856341 0.89523055 -144.74046275  
0.49249688 0.74811673 -0.44471135 -73.35708776  
-0.84253550 0.53790319 -0.02817949 305.15461403  
Axis 0.49154300 0.86929992 0.05199167  
Axis point 121.98498938 -0.00000000 202.85129157  
Rotation angle (degrees) 91.77452345  
Shift along axis -119.04997260  
  
Position of 6h03.cif Z (#2.26) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
0.21813011 0.38856341 0.89523055 -144.74046275  
0.49249688 0.74811673 -0.44471135 -73.35708776  
-0.84253550 0.53790319 -0.02817949 305.15461403  
Axis 0.49154300 0.86929992 0.05199167  
Axis point 121.98498938 -0.00000000 202.85129157  
Rotation angle (degrees) 91.77452345  
Shift along axis -119.04997260  
  
Position of 6h03.cif a (#2.27) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
0.21813011 0.38856341 0.89523055 -144.74046275  
0.49249688 0.74811673 -0.44471135 -73.35708776  
-0.84253550 0.53790319 -0.02817949 305.15461403  
Axis 0.49154300 0.86929992 0.05199167  
Axis point 121.98498938 -0.00000000 202.85129157  
Rotation angle (degrees) 91.77452345  
Shift along axis -119.04997260  
  
Position of 6h03.cif b (#2.28) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
0.21813011 0.38856341 0.89523055 -144.74046275  
0.49249688 0.74811673 -0.44471135 -73.35708776  
-0.84253550 0.53790319 -0.02817949 305.15461403  
Axis 0.49154300 0.86929992 0.05199167  
Axis point 121.98498938 -0.00000000 202.85129157  
Rotation angle (degrees) 91.77452345  
Shift along axis -119.04997260  
  
Position of 6h03.cif c (#2.29) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
0.21813011 0.38856341 0.89523055 -144.74046275  
0.49249688 0.74811673 -0.44471135 -73.35708776  
-0.84253550 0.53790319 -0.02817949 305.15461403  
Axis 0.49154300 0.86929992 0.05199167  
Axis point 121.98498938 -0.00000000 202.85129157  
Rotation angle (degrees) 91.77452345  
Shift along axis -119.04997260  
  
Position of 6h03.cif d (#2.30) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
0.21813011 0.38856341 0.89523055 -144.74046275  
0.49249688 0.74811673 -0.44471135 -73.35708776  
-0.84253550 0.53790319 -0.02817949 305.15461403  
Axis 0.49154300 0.86929992 0.05199167  
Axis point 121.98498938 -0.00000000 202.85129157  
Rotation angle (degrees) 91.77452345  
Shift along axis -119.04997260  
  
Position of 6h03.cif e (#2.31) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
0.21813011 0.38856341 0.89523055 -144.74046275  
0.49249688 0.74811673 -0.44471135 -73.35708776  
-0.84253550 0.53790319 -0.02817949 305.15461403  
Axis 0.49154300 0.86929992 0.05199167  
Axis point 121.98498938 -0.00000000 202.85129157  
Rotation angle (degrees) 91.77452345  
Shift along axis -119.04997260  
  
Position of 6h03.cif f (#2.32) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
0.21813011 0.38856341 0.89523055 -144.74046275  
0.49249688 0.74811673 -0.44471135 -73.35708776  
-0.84253550 0.53790319 -0.02817949 305.15461403  
Axis 0.49154300 0.86929992 0.05199167  
Axis point 121.98498938 -0.00000000 202.85129157  
Rotation angle (degrees) 91.77452345  
Shift along axis -119.04997260  
  
Fit map map 4 in map cryosparc_P1_J175_005_volume_map.mrc using 320421 points  
correlation = 0.5858, correlation about mean = 0.05282, overlap = 2.05e+04  
steps = 480, shift = 53.1, angle = 12.4 degrees  
  
Position of map 4 (#4) relative to cryosparc_P1_J175_005_volume_map.mrc (#1)
coordinates:  
Matrix rotation and translation  
0.34171599 0.49564904 0.79847493 -176.68233320  
0.35125511 0.72068769 -0.59768646 -45.69283971  
-0.87169377 0.48470741 0.07217125 319.69080217  
Axis 0.54242627 0.83698126 -0.07236097  
Axis point 123.48722863 0.00000000 216.28083139  
Rotation angle (degrees) 86.14179711  
Shift along axis -157.21432497  
  
Average map value = 0.01498 for 49947 atoms, 49941 outside contour  

> show #!4 models

Fit map map 4 in map cryosparc_P1_J175_005_volume_map.mrc using 320421 points  
correlation = 0.5858, correlation about mean = 0.05284, overlap = 2.05e+04  
steps = 708, shift = 0.0104, angle = 0.00642 degrees  
  
Position of map 4 (#4) relative to cryosparc_P1_J175_005_volume_map.mrc (#1)
coordinates:  
Matrix rotation and translation  
0.34166220 0.49566684 0.79848690 -176.67236749  
0.35134320 0.72064777 -0.59768282 -45.71187985  
-0.87167935 0.48474857 0.07206892 319.69564427  
Axis 0.54244148 0.83697449 -0.07232526  
Axis point 123.48770721 0.00000000 216.26957546  
Rotation angle (degrees) 86.14742590  
Shift along axis -157.21616798  
  
Average map value = 0.01498 for 49947 atoms, 49941 outside contour  

> ~select #2

Nothing selected  

> select #3

49947 atoms, 51123 bonds, 55 pseudobonds, 6292 residues, 31 models selected  

> show #!3 models

> hide #!3 models

> close #3

> select #2

49947 atoms, 51123 bonds, 28 pseudobonds, 6292 residues, 31 models selected  

> select #4

2 models selected  

> select #2

49947 atoms, 51123 bonds, 28 pseudobonds, 6292 residues, 31 models selected  

> select #4

2 models selected  

> close #4

> select #2

49947 atoms, 51123 bonds, 28 pseudobonds, 6292 residues, 31 models selected  
Fit map map 4 in map cryosparc_P1_J175_005_volume_map.mrc using 320392 points  
correlation = 0.7581, correlation about mean = 0.2533, overlap = 3.436e+04  
steps = 848, shift = 112, angle = 25.3 degrees  
  
Position of map 4 (#3) relative to cryosparc_P1_J175_005_volume_map.mrc (#1)
coordinates:  
Matrix rotation and translation  
0.26158434 0.81273497 0.52061069 -173.73015236  
0.31458275 0.43814523 -0.84206084 -6.12936570  
-0.91247538 0.38404508 -0.14106048 350.61274930  
Axis 0.62854692 0.73465255 -0.25537112  
Axis point 78.20117447 0.00000000 199.24910081  
Rotation angle (degrees) 102.74812121  
Shift along axis -203.23687648  
  
Average map value = 0.0003691 for 44943 atoms, 49947 outside contour  

> select #3

2 models selected  

> ~select #3

Nothing selected  

> show #!3 models

> select #2

49947 atoms, 51123 bonds, 28 pseudobonds, 6292 residues, 31 models selected  

> hide #!3 models

Fit molecules 6h03.cif A (#2.1), 6h03.cif B (#2.2), 6h03.cif C (#2.3),
6h03.cif D (#2.4), 6h03.cif E (#2.5), 6h03.cif F (#2.6), 6h03.cif G (#2.7),
6h03.cif H (#2.8), 6h03.cif I (#2.9), 6h03.cif J (#2.10), 6h03.cif P (#2.16),
6h03.cif Y (#2.25), 6h03.cif Z (#2.26), 6h03.cif a (#2.27), 6h03.cif b
(#2.28), 6h03.cif c (#2.29), 6h03.cif d (#2.30), 6h03.cif e (#2.31), 6h03.cif
f (#2.32) to map cryosparc_P1_J175_005_volume_map.mrc (#1) using 49947 atoms  
average map value = 0.2803, steps = 1624  
shifted from previous position = 208  
rotated from previous position = 22.8 degrees  
atoms outside contour = 15564, contour level = 0.15615  
  
Position of 6h03.cif A (#2.1) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.11384702 0.88588334 0.44972165 84.61520873  
0.24551735 0.46371167 -0.85128886 -111.02869707  
-0.96268379 0.01349777 -0.27029192 484.05809660  
Axis 0.48703460 0.79544514 -0.36064433  
Axis point 230.73896491 0.00000000 143.25996456  
Rotation angle (degrees) 117.40089364  
Shift along axis -221.67951126  
  
Position of 6h03.cif B (#2.2) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.11384702 0.88588334 0.44972165 84.61520873  
0.24551735 0.46371167 -0.85128886 -111.02869707  
-0.96268379 0.01349777 -0.27029192 484.05809660  
Axis 0.48703460 0.79544514 -0.36064433  
Axis point 230.73896491 0.00000000 143.25996456  
Rotation angle (degrees) 117.40089364  
Shift along axis -221.67951126  
  
Position of 6h03.cif C (#2.3) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.11384702 0.88588334 0.44972165 84.61520873  
0.24551735 0.46371167 -0.85128886 -111.02869707  
-0.96268379 0.01349777 -0.27029192 484.05809660  
Axis 0.48703460 0.79544514 -0.36064433  
Axis point 230.73896491 0.00000000 143.25996456  
Rotation angle (degrees) 117.40089364  
Shift along axis -221.67951126  
  
Position of 6h03.cif D (#2.4) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.11384702 0.88588334 0.44972165 84.61520873  
0.24551735 0.46371167 -0.85128886 -111.02869707  
-0.96268379 0.01349777 -0.27029192 484.05809660  
Axis 0.48703460 0.79544514 -0.36064433  
Axis point 230.73896491 0.00000000 143.25996456  
Rotation angle (degrees) 117.40089364  
Shift along axis -221.67951126  
  
Position of 6h03.cif E (#2.5) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.11384702 0.88588334 0.44972165 84.61520873  
0.24551735 0.46371167 -0.85128886 -111.02869707  
-0.96268379 0.01349777 -0.27029192 484.05809660  
Axis 0.48703460 0.79544514 -0.36064433  
Axis point 230.73896491 0.00000000 143.25996456  
Rotation angle (degrees) 117.40089364  
Shift along axis -221.67951126  
  
Position of 6h03.cif F (#2.6) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.11384702 0.88588334 0.44972165 84.61520873  
0.24551735 0.46371167 -0.85128886 -111.02869707  
-0.96268379 0.01349777 -0.27029192 484.05809660  
Axis 0.48703460 0.79544514 -0.36064433  
Axis point 230.73896491 0.00000000 143.25996456  
Rotation angle (degrees) 117.40089364  
Shift along axis -221.67951126  
  
Position of 6h03.cif G (#2.7) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.11384702 0.88588334 0.44972165 84.61520873  
0.24551735 0.46371167 -0.85128886 -111.02869707  
-0.96268379 0.01349777 -0.27029192 484.05809660  
Axis 0.48703460 0.79544514 -0.36064433  
Axis point 230.73896491 0.00000000 143.25996456  
Rotation angle (degrees) 117.40089364  
Shift along axis -221.67951126  
  
Position of 6h03.cif H (#2.8) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.11384702 0.88588334 0.44972165 84.61520873  
0.24551735 0.46371167 -0.85128886 -111.02869707  
-0.96268379 0.01349777 -0.27029192 484.05809660  
Axis 0.48703460 0.79544514 -0.36064433  
Axis point 230.73896491 0.00000000 143.25996456  
Rotation angle (degrees) 117.40089364  
Shift along axis -221.67951126  
  
Position of 6h03.cif I (#2.9) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.11384702 0.88588334 0.44972165 84.61520873  
0.24551735 0.46371167 -0.85128886 -111.02869707  
-0.96268379 0.01349777 -0.27029192 484.05809660  
Axis 0.48703460 0.79544514 -0.36064433  
Axis point 230.73896491 0.00000000 143.25996456  
Rotation angle (degrees) 117.40089364  
Shift along axis -221.67951126  
  
Position of 6h03.cif J (#2.10) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.11384702 0.88588334 0.44972165 84.61520873  
0.24551735 0.46371167 -0.85128886 -111.02869707  
-0.96268379 0.01349777 -0.27029192 484.05809660  
Axis 0.48703460 0.79544514 -0.36064433  
Axis point 230.73896491 0.00000000 143.25996456  
Rotation angle (degrees) 117.40089364  
Shift along axis -221.67951126  
  
Position of 6h03.cif P (#2.16) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.11384702 0.88588334 0.44972165 84.61520873  
0.24551735 0.46371167 -0.85128886 -111.02869707  
-0.96268379 0.01349777 -0.27029192 484.05809660  
Axis 0.48703460 0.79544514 -0.36064433  
Axis point 230.73896491 0.00000000 143.25996456  
Rotation angle (degrees) 117.40089364  
Shift along axis -221.67951126  
  
Position of 6h03.cif Y (#2.25) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.11384702 0.88588334 0.44972165 84.61520873  
0.24551735 0.46371167 -0.85128886 -111.02869707  
-0.96268379 0.01349777 -0.27029192 484.05809660  
Axis 0.48703460 0.79544514 -0.36064433  
Axis point 230.73896491 0.00000000 143.25996456  
Rotation angle (degrees) 117.40089364  
Shift along axis -221.67951126  
  
Position of 6h03.cif Z (#2.26) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.11384702 0.88588334 0.44972165 84.61520873  
0.24551735 0.46371167 -0.85128886 -111.02869707  
-0.96268379 0.01349777 -0.27029192 484.05809660  
Axis 0.48703460 0.79544514 -0.36064433  
Axis point 230.73896491 0.00000000 143.25996456  
Rotation angle (degrees) 117.40089364  
Shift along axis -221.67951126  
  
Position of 6h03.cif a (#2.27) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.11384702 0.88588334 0.44972165 84.61520873  
0.24551735 0.46371167 -0.85128886 -111.02869707  
-0.96268379 0.01349777 -0.27029192 484.05809660  
Axis 0.48703460 0.79544514 -0.36064433  
Axis point 230.73896491 0.00000000 143.25996456  
Rotation angle (degrees) 117.40089364  
Shift along axis -221.67951126  
  
Position of 6h03.cif b (#2.28) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.11384702 0.88588334 0.44972165 84.61520873  
0.24551735 0.46371167 -0.85128886 -111.02869707  
-0.96268379 0.01349777 -0.27029192 484.05809660  
Axis 0.48703460 0.79544514 -0.36064433  
Axis point 230.73896491 0.00000000 143.25996456  
Rotation angle (degrees) 117.40089364  
Shift along axis -221.67951126  
  
Position of 6h03.cif c (#2.29) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.11384702 0.88588334 0.44972165 84.61520873  
0.24551735 0.46371167 -0.85128886 -111.02869707  
-0.96268379 0.01349777 -0.27029192 484.05809660  
Axis 0.48703460 0.79544514 -0.36064433  
Axis point 230.73896491 0.00000000 143.25996456  
Rotation angle (degrees) 117.40089364  
Shift along axis -221.67951126  
  
Position of 6h03.cif d (#2.30) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.11384702 0.88588334 0.44972165 84.61520873  
0.24551735 0.46371167 -0.85128886 -111.02869707  
-0.96268379 0.01349777 -0.27029192 484.05809660  
Axis 0.48703460 0.79544514 -0.36064433  
Axis point 230.73896491 0.00000000 143.25996456  
Rotation angle (degrees) 117.40089364  
Shift along axis -221.67951126  
  
Position of 6h03.cif e (#2.31) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.11384702 0.88588334 0.44972165 84.61520873  
0.24551735 0.46371167 -0.85128886 -111.02869707  
-0.96268379 0.01349777 -0.27029192 484.05809660  
Axis 0.48703460 0.79544514 -0.36064433  
Axis point 230.73896491 0.00000000 143.25996456  
Rotation angle (degrees) 117.40089364  
Shift along axis -221.67951126  
  
Position of 6h03.cif f (#2.32) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.11384702 0.88588334 0.44972165 84.61520873  
0.24551735 0.46371167 -0.85128886 -111.02869707  
-0.96268379 0.01349777 -0.27029192 484.05809660  
Axis 0.48703460 0.79544514 -0.36064433  
Axis point 230.73896491 0.00000000 143.25996456  
Rotation angle (degrees) 117.40089364  
Shift along axis -221.67951126  
  

> ~select #2.25

49908 atoms, 51082 bonds, 28 pseudobonds, 6289 residues, 30 models selected  

> select #2

49947 atoms, 51123 bonds, 28 pseudobonds, 6292 residues, 31 models selected  

> ~select #2

Nothing selected  

> select #2.32

28 atoms, 29 bonds, 2 residues, 1 model selected  

> ~select #2.32

Nothing selected  

> select #2.31

28 atoms, 29 bonds, 2 residues, 1 model selected  

> ~select #2.31

Nothing selected  

> select #2.30

28 atoms, 29 bonds, 2 residues, 1 model selected  

> ~select #2.30

Nothing selected  

> select #2.29

28 atoms, 29 bonds, 2 residues, 1 model selected  

> ~select #2.29

Nothing selected  

> select #2.16

4005 atoms, 4094 bonds, 1 pseudobond, 503 residues, 2 models selected  

> ~select #2.16

Nothing selected  

> select #2.10

4005 atoms, 4095 bonds, 1 pseudobond, 503 residues, 2 models selected  

> delete atoms (#!2.10 & sel)

> delete bonds (#!2.10 & sel)

> select #2.30

28 atoms, 29 bonds, 2 residues, 1 model selected  

> ~select #2.30

Nothing selected  

> ui mousemode right select

> select #2.32/f:2@O4

1 atom, 1 residue, 1 model selected  

> select #2.32

28 atoms, 29 bonds, 2 residues, 1 model selected  

> delete atoms sel

> delete bonds sel

> select #2

45914 atoms, 46999 bonds, 27 pseudobonds, 5787 residues, 28 models selected  
Fit molecules 6h03.cif A (#2.1), 6h03.cif B (#2.2), 6h03.cif C (#2.3),
6h03.cif D (#2.4), 6h03.cif E (#2.5), 6h03.cif F (#2.6), 6h03.cif G (#2.7),
6h03.cif H (#2.8), 6h03.cif I (#2.9), 6h03.cif P (#2.16), 6h03.cif Y (#2.25),
6h03.cif Z (#2.26), 6h03.cif a (#2.27), 6h03.cif b (#2.28), 6h03.cif c
(#2.29), 6h03.cif d (#2.30), 6h03.cif e (#2.31) to map
cryosparc_P1_J175_005_volume_map.mrc (#1) using 45914 atoms  
average map value = -0.001009, steps = 524  
shifted from previous position = 18  
rotated from previous position = 10.1 degrees  
atoms outside contour = 45914, contour level = 0.15615  
  
Position of 6h03.cif A (#2.1) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.11669894 0.92925741 0.35051679 65.04743760  
0.38709214 0.36757528 -0.84560516 -157.20794121  
-0.91462617 0.03700107 -0.40260389 442.30872062  
Axis 0.53979017 0.77374452 -0.33158103  
Axis point 209.72186513 0.00000000 123.46386529  
Rotation angle (degrees) 125.16014549  
Shift along axis -233.18799799  
  
Position of 6h03.cif B (#2.2) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.11669894 0.92925741 0.35051679 65.04743760  
0.38709214 0.36757528 -0.84560516 -157.20794121  
-0.91462617 0.03700107 -0.40260389 442.30872062  
Axis 0.53979017 0.77374452 -0.33158103  
Axis point 209.72186513 0.00000000 123.46386529  
Rotation angle (degrees) 125.16014549  
Shift along axis -233.18799799  
  
Position of 6h03.cif C (#2.3) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.11669894 0.92925741 0.35051679 65.04743760  
0.38709214 0.36757528 -0.84560516 -157.20794121  
-0.91462617 0.03700107 -0.40260389 442.30872062  
Axis 0.53979017 0.77374452 -0.33158103  
Axis point 209.72186513 0.00000000 123.46386529  
Rotation angle (degrees) 125.16014549  
Shift along axis -233.18799799  
  
Position of 6h03.cif D (#2.4) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.11669894 0.92925741 0.35051679 65.04743760  
0.38709214 0.36757528 -0.84560516 -157.20794121  
-0.91462617 0.03700107 -0.40260389 442.30872062  
Axis 0.53979017 0.77374452 -0.33158103  
Axis point 209.72186513 0.00000000 123.46386529  
Rotation angle (degrees) 125.16014549  
Shift along axis -233.18799799  
  
Position of 6h03.cif E (#2.5) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.11669894 0.92925741 0.35051679 65.04743760  
0.38709214 0.36757528 -0.84560516 -157.20794121  
-0.91462617 0.03700107 -0.40260389 442.30872062  
Axis 0.53979017 0.77374452 -0.33158103  
Axis point 209.72186513 0.00000000 123.46386529  
Rotation angle (degrees) 125.16014549  
Shift along axis -233.18799799  
  
Position of 6h03.cif F (#2.6) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.11669894 0.92925741 0.35051679 65.04743760  
0.38709214 0.36757528 -0.84560516 -157.20794121  
-0.91462617 0.03700107 -0.40260389 442.30872062  
Axis 0.53979017 0.77374452 -0.33158103  
Axis point 209.72186513 0.00000000 123.46386529  
Rotation angle (degrees) 125.16014549  
Shift along axis -233.18799799  
  
Position of 6h03.cif G (#2.7) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.11669894 0.92925741 0.35051679 65.04743760  
0.38709214 0.36757528 -0.84560516 -157.20794121  
-0.91462617 0.03700107 -0.40260389 442.30872062  
Axis 0.53979017 0.77374452 -0.33158103  
Axis point 209.72186513 0.00000000 123.46386529  
Rotation angle (degrees) 125.16014549  
Shift along axis -233.18799799  
  
Position of 6h03.cif H (#2.8) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.11669894 0.92925741 0.35051679 65.04743760  
0.38709214 0.36757528 -0.84560516 -157.20794121  
-0.91462617 0.03700107 -0.40260389 442.30872062  
Axis 0.53979017 0.77374452 -0.33158103  
Axis point 209.72186513 0.00000000 123.46386529  
Rotation angle (degrees) 125.16014549  
Shift along axis -233.18799799  
  
Position of 6h03.cif I (#2.9) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.11669894 0.92925741 0.35051679 65.04743760  
0.38709214 0.36757528 -0.84560516 -157.20794121  
-0.91462617 0.03700107 -0.40260389 442.30872062  
Axis 0.53979017 0.77374452 -0.33158103  
Axis point 209.72186513 0.00000000 123.46386529  
Rotation angle (degrees) 125.16014549  
Shift along axis -233.18799799  
  
Position of 6h03.cif P (#2.16) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.11669894 0.92925741 0.35051679 65.04743760  
0.38709214 0.36757528 -0.84560516 -157.20794121  
-0.91462617 0.03700107 -0.40260389 442.30872062  
Axis 0.53979017 0.77374452 -0.33158103  
Axis point 209.72186513 0.00000000 123.46386529  
Rotation angle (degrees) 125.16014549  
Shift along axis -233.18799799  
  
Position of 6h03.cif Y (#2.25) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.11669894 0.92925741 0.35051679 65.04743760  
0.38709214 0.36757528 -0.84560516 -157.20794121  
-0.91462617 0.03700107 -0.40260389 442.30872062  
Axis 0.53979017 0.77374452 -0.33158103  
Axis point 209.72186513 0.00000000 123.46386529  
Rotation angle (degrees) 125.16014549  
Shift along axis -233.18799799  
  
Position of 6h03.cif Z (#2.26) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.11669894 0.92925741 0.35051679 65.04743760  
0.38709214 0.36757528 -0.84560516 -157.20794121  
-0.91462617 0.03700107 -0.40260389 442.30872062  
Axis 0.53979017 0.77374452 -0.33158103  
Axis point 209.72186513 0.00000000 123.46386529  
Rotation angle (degrees) 125.16014549  
Shift along axis -233.18799799  
  
Position of 6h03.cif a (#2.27) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.11669894 0.92925741 0.35051679 65.04743760  
0.38709214 0.36757528 -0.84560516 -157.20794121  
-0.91462617 0.03700107 -0.40260389 442.30872062  
Axis 0.53979017 0.77374452 -0.33158103  
Axis point 209.72186513 0.00000000 123.46386529  
Rotation angle (degrees) 125.16014549  
Shift along axis -233.18799799  
  
Position of 6h03.cif b (#2.28) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.11669894 0.92925741 0.35051679 65.04743760  
0.38709214 0.36757528 -0.84560516 -157.20794121  
-0.91462617 0.03700107 -0.40260389 442.30872062  
Axis 0.53979017 0.77374452 -0.33158103  
Axis point 209.72186513 0.00000000 123.46386529  
Rotation angle (degrees) 125.16014549  
Shift along axis -233.18799799  
  
Position of 6h03.cif c (#2.29) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.11669894 0.92925741 0.35051679 65.04743760  
0.38709214 0.36757528 -0.84560516 -157.20794121  
-0.91462617 0.03700107 -0.40260389 442.30872062  
Axis 0.53979017 0.77374452 -0.33158103  
Axis point 209.72186513 0.00000000 123.46386529  
Rotation angle (degrees) 125.16014549  
Shift along axis -233.18799799  
  
Position of 6h03.cif d (#2.30) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.11669894 0.92925741 0.35051679 65.04743760  
0.38709214 0.36757528 -0.84560516 -157.20794121  
-0.91462617 0.03700107 -0.40260389 442.30872062  
Axis 0.53979017 0.77374452 -0.33158103  
Axis point 209.72186513 0.00000000 123.46386529  
Rotation angle (degrees) 125.16014549  
Shift along axis -233.18799799  
  
Position of 6h03.cif e (#2.31) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.11669894 0.92925741 0.35051679 65.04743760  
0.38709214 0.36757528 -0.84560516 -157.20794121  
-0.91462617 0.03700107 -0.40260389 442.30872062  
Axis 0.53979017 0.77374452 -0.33158103  
Axis point 209.72186513 0.00000000 123.46386529  
Rotation angle (degrees) 125.16014549  
Shift along axis -233.18799799  
  

> ui mousemode right "rotate selected models"

> ui mousemode right "translate selected models"

> ui mousemode right translate

> ui mousemode right "rotate selected models"

> ui mousemode right "translate selected models"

Fit molecules 6h03.cif A (#2.1), 6h03.cif B (#2.2), 6h03.cif C (#2.3),
6h03.cif D (#2.4), 6h03.cif E (#2.5), 6h03.cif F (#2.6), 6h03.cif G (#2.7),
6h03.cif H (#2.8), 6h03.cif I (#2.9), 6h03.cif P (#2.16), 6h03.cif Y (#2.25),
6h03.cif Z (#2.26), 6h03.cif a (#2.27), 6h03.cif b (#2.28), 6h03.cif c
(#2.29), 6h03.cif d (#2.30), 6h03.cif e (#2.31) to map
cryosparc_P1_J175_005_volume_map.mrc (#1) using 45914 atoms  
average map value = 0.1835, steps = 300  
shifted from previous position = 9.22  
rotated from previous position = 9.59 degrees  
atoms outside contour = 23892, contour level = 0.15615  
  
Position of 6h03.cif A (#2.1) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.27812674 0.89164944 0.35722094 134.12134594  
0.35205217 0.44064088 -0.82576927 -158.75309150  
-0.89370285 -0.10390811 -0.43646113 461.52726722  
Axis 0.46820246 0.81135490 -0.34998526  
Axis point 223.69373288 0.00000000 126.68423554  
Rotation angle (degrees) 129.56650900  
Shift along axis -227.53689631  
  
Position of 6h03.cif B (#2.2) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.27812674 0.89164944 0.35722094 134.12134594  
0.35205217 0.44064088 -0.82576927 -158.75309150  
-0.89370285 -0.10390811 -0.43646113 461.52726722  
Axis 0.46820246 0.81135490 -0.34998526  
Axis point 223.69373288 0.00000000 126.68423554  
Rotation angle (degrees) 129.56650900  
Shift along axis -227.53689631  
  
Position of 6h03.cif C (#2.3) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.27812674 0.89164944 0.35722094 134.12134594  
0.35205217 0.44064088 -0.82576927 -158.75309150  
-0.89370285 -0.10390811 -0.43646113 461.52726722  
Axis 0.46820246 0.81135490 -0.34998526  
Axis point 223.69373288 0.00000000 126.68423554  
Rotation angle (degrees) 129.56650900  
Shift along axis -227.53689631  
  
Position of 6h03.cif D (#2.4) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.27812674 0.89164944 0.35722094 134.12134594  
0.35205217 0.44064088 -0.82576927 -158.75309150  
-0.89370285 -0.10390811 -0.43646113 461.52726722  
Axis 0.46820246 0.81135490 -0.34998526  
Axis point 223.69373288 0.00000000 126.68423554  
Rotation angle (degrees) 129.56650900  
Shift along axis -227.53689631  
  
Position of 6h03.cif E (#2.5) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.27812674 0.89164944 0.35722094 134.12134594  
0.35205217 0.44064088 -0.82576927 -158.75309150  
-0.89370285 -0.10390811 -0.43646113 461.52726722  
Axis 0.46820246 0.81135490 -0.34998526  
Axis point 223.69373288 0.00000000 126.68423554  
Rotation angle (degrees) 129.56650900  
Shift along axis -227.53689631  
  
Position of 6h03.cif F (#2.6) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.27812674 0.89164944 0.35722094 134.12134594  
0.35205217 0.44064088 -0.82576927 -158.75309150  
-0.89370285 -0.10390811 -0.43646113 461.52726722  
Axis 0.46820246 0.81135490 -0.34998526  
Axis point 223.69373288 0.00000000 126.68423554  
Rotation angle (degrees) 129.56650900  
Shift along axis -227.53689631  
  
Position of 6h03.cif G (#2.7) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.27812674 0.89164944 0.35722094 134.12134594  
0.35205217 0.44064088 -0.82576927 -158.75309150  
-0.89370285 -0.10390811 -0.43646113 461.52726722  
Axis 0.46820246 0.81135490 -0.34998526  
Axis point 223.69373288 0.00000000 126.68423554  
Rotation angle (degrees) 129.56650900  
Shift along axis -227.53689631  
  
Position of 6h03.cif H (#2.8) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.27812674 0.89164944 0.35722094 134.12134594  
0.35205217 0.44064088 -0.82576927 -158.75309150  
-0.89370285 -0.10390811 -0.43646113 461.52726722  
Axis 0.46820246 0.81135490 -0.34998526  
Axis point 223.69373288 0.00000000 126.68423554  
Rotation angle (degrees) 129.56650900  
Shift along axis -227.53689631  
  
Position of 6h03.cif I (#2.9) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.27812674 0.89164944 0.35722094 134.12134594  
0.35205217 0.44064088 -0.82576927 -158.75309150  
-0.89370285 -0.10390811 -0.43646113 461.52726722  
Axis 0.46820246 0.81135490 -0.34998526  
Axis point 223.69373288 0.00000000 126.68423554  
Rotation angle (degrees) 129.56650900  
Shift along axis -227.53689631  
  
Position of 6h03.cif P (#2.16) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.27812674 0.89164944 0.35722094 134.12134594  
0.35205217 0.44064088 -0.82576927 -158.75309150  
-0.89370285 -0.10390811 -0.43646113 461.52726722  
Axis 0.46820246 0.81135490 -0.34998526  
Axis point 223.69373288 0.00000000 126.68423554  
Rotation angle (degrees) 129.56650900  
Shift along axis -227.53689631  
  
Position of 6h03.cif Y (#2.25) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.27812674 0.89164944 0.35722094 134.12134594  
0.35205217 0.44064088 -0.82576927 -158.75309150  
-0.89370285 -0.10390811 -0.43646113 461.52726722  
Axis 0.46820246 0.81135490 -0.34998526  
Axis point 223.69373288 0.00000000 126.68423554  
Rotation angle (degrees) 129.56650900  
Shift along axis -227.53689631  
  
Position of 6h03.cif Z (#2.26) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.27812674 0.89164944 0.35722094 134.12134594  
0.35205217 0.44064088 -0.82576927 -158.75309150  
-0.89370285 -0.10390811 -0.43646113 461.52726722  
Axis 0.46820246 0.81135490 -0.34998526  
Axis point 223.69373288 0.00000000 126.68423554  
Rotation angle (degrees) 129.56650900  
Shift along axis -227.53689631  
  
Position of 6h03.cif a (#2.27) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.27812674 0.89164944 0.35722094 134.12134594  
0.35205217 0.44064088 -0.82576927 -158.75309150  
-0.89370285 -0.10390811 -0.43646113 461.52726722  
Axis 0.46820246 0.81135490 -0.34998526  
Axis point 223.69373288 0.00000000 126.68423554  
Rotation angle (degrees) 129.56650900  
Shift along axis -227.53689631  
  
Position of 6h03.cif b (#2.28) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.27812674 0.89164944 0.35722094 134.12134594  
0.35205217 0.44064088 -0.82576927 -158.75309150  
-0.89370285 -0.10390811 -0.43646113 461.52726722  
Axis 0.46820246 0.81135490 -0.34998526  
Axis point 223.69373288 0.00000000 126.68423554  
Rotation angle (degrees) 129.56650900  
Shift along axis -227.53689631  
  
Position of 6h03.cif c (#2.29) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.27812674 0.89164944 0.35722094 134.12134594  
0.35205217 0.44064088 -0.82576927 -158.75309150  
-0.89370285 -0.10390811 -0.43646113 461.52726722  
Axis 0.46820246 0.81135490 -0.34998526  
Axis point 223.69373288 0.00000000 126.68423554  
Rotation angle (degrees) 129.56650900  
Shift along axis -227.53689631  
  
Position of 6h03.cif d (#2.30) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.27812674 0.89164944 0.35722094 134.12134594  
0.35205217 0.44064088 -0.82576927 -158.75309150  
-0.89370285 -0.10390811 -0.43646113 461.52726722  
Axis 0.46820246 0.81135490 -0.34998526  
Axis point 223.69373288 0.00000000 126.68423554  
Rotation angle (degrees) 129.56650900  
Shift along axis -227.53689631  
  
Position of 6h03.cif e (#2.31) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.27812674 0.89164944 0.35722094 134.12134594  
0.35205217 0.44064088 -0.82576927 -158.75309150  
-0.89370285 -0.10390811 -0.43646113 461.52726722  
Axis 0.46820246 0.81135490 -0.34998526  
Axis point 223.69373288 0.00000000 126.68423554  
Rotation angle (degrees) 129.56650900  
Shift along axis -227.53689631  
  
Fit molecules 6h03.cif A (#2.1), 6h03.cif B (#2.2), 6h03.cif C (#2.3),
6h03.cif D (#2.4), 6h03.cif E (#2.5), 6h03.cif F (#2.6), 6h03.cif G (#2.7),
6h03.cif H (#2.8), 6h03.cif I (#2.9), 6h03.cif P (#2.16), 6h03.cif Y (#2.25),
6h03.cif Z (#2.26), 6h03.cif a (#2.27), 6h03.cif b (#2.28), 6h03.cif c
(#2.29), 6h03.cif d (#2.30), 6h03.cif e (#2.31) to map
cryosparc_P1_J175_005_volume_map.mrc (#1) using 45914 atoms  
average map value = 0.13, steps = 228  
shifted from previous position = 4.23e-13  
rotated from previous position = 27.7 degrees  
atoms outside contour = 29732, contour level = 0.15615  
  
Position of 6h03.cif A (#2.1) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.56495386 0.82511442 0.00365092 187.83897407  
0.51627811 0.35693901 -0.77849307 -182.81709898  
-0.64364902 -0.43792777 -0.62764258 436.23784511  
Axis 0.42894879 0.81528719 -0.38898551  
Axis point 185.63001803 0.00000000 137.69263890  
Rotation angle (degrees) 156.61069102  
Shift along axis -238.16533782  
  
Position of 6h03.cif B (#2.2) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.56495386 0.82511442 0.00365092 187.83897407  
0.51627811 0.35693901 -0.77849307 -182.81709898  
-0.64364902 -0.43792777 -0.62764258 436.23784511  
Axis 0.42894879 0.81528719 -0.38898551  
Axis point 185.63001803 0.00000000 137.69263890  
Rotation angle (degrees) 156.61069102  
Shift along axis -238.16533782  
  
Position of 6h03.cif C (#2.3) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.56495386 0.82511442 0.00365092 187.83897407  
0.51627811 0.35693901 -0.77849307 -182.81709898  
-0.64364902 -0.43792777 -0.62764258 436.23784511  
Axis 0.42894879 0.81528719 -0.38898551  
Axis point 185.63001803 0.00000000 137.69263890  
Rotation angle (degrees) 156.61069102  
Shift along axis -238.16533782  
  
Position of 6h03.cif D (#2.4) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.56495386 0.82511442 0.00365092 187.83897407  
0.51627811 0.35693901 -0.77849307 -182.81709898  
-0.64364902 -0.43792777 -0.62764258 436.23784511  
Axis 0.42894879 0.81528719 -0.38898551  
Axis point 185.63001803 0.00000000 137.69263890  
Rotation angle (degrees) 156.61069102  
Shift along axis -238.16533782  
  
Position of 6h03.cif E (#2.5) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.56495386 0.82511442 0.00365092 187.83897407  
0.51627811 0.35693901 -0.77849307 -182.81709898  
-0.64364902 -0.43792777 -0.62764258 436.23784511  
Axis 0.42894879 0.81528719 -0.38898551  
Axis point 185.63001803 0.00000000 137.69263890  
Rotation angle (degrees) 156.61069102  
Shift along axis -238.16533782  
  
Position of 6h03.cif F (#2.6) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.56495386 0.82511442 0.00365092 187.83897407  
0.51627811 0.35693901 -0.77849307 -182.81709898  
-0.64364902 -0.43792777 -0.62764258 436.23784511  
Axis 0.42894879 0.81528719 -0.38898551  
Axis point 185.63001803 0.00000000 137.69263890  
Rotation angle (degrees) 156.61069102  
Shift along axis -238.16533782  
  
Position of 6h03.cif G (#2.7) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.56495386 0.82511442 0.00365092 187.83897407  
0.51627811 0.35693901 -0.77849307 -182.81709898  
-0.64364902 -0.43792777 -0.62764258 436.23784511  
Axis 0.42894879 0.81528719 -0.38898551  
Axis point 185.63001803 0.00000000 137.69263890  
Rotation angle (degrees) 156.61069102  
Shift along axis -238.16533782  
  
Position of 6h03.cif H (#2.8) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.56495386 0.82511442 0.00365092 187.83897407  
0.51627811 0.35693901 -0.77849307 -182.81709898  
-0.64364902 -0.43792777 -0.62764258 436.23784511  
Axis 0.42894879 0.81528719 -0.38898551  
Axis point 185.63001803 0.00000000 137.69263890  
Rotation angle (degrees) 156.61069102  
Shift along axis -238.16533782  
  
Position of 6h03.cif I (#2.9) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.56495386 0.82511442 0.00365092 187.83897407  
0.51627811 0.35693901 -0.77849307 -182.81709898  
-0.64364902 -0.43792777 -0.62764258 436.23784511  
Axis 0.42894879 0.81528719 -0.38898551  
Axis point 185.63001803 0.00000000 137.69263890  
Rotation angle (degrees) 156.61069102  
Shift along axis -238.16533782  
  
Position of 6h03.cif P (#2.16) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.56495386 0.82511442 0.00365092 187.83897407  
0.51627811 0.35693901 -0.77849307 -182.81709898  
-0.64364902 -0.43792777 -0.62764258 436.23784511  
Axis 0.42894879 0.81528719 -0.38898551  
Axis point 185.63001803 0.00000000 137.69263890  
Rotation angle (degrees) 156.61069102  
Shift along axis -238.16533782  
  
Position of 6h03.cif Y (#2.25) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.56495386 0.82511442 0.00365092 187.83897407  
0.51627811 0.35693901 -0.77849307 -182.81709898  
-0.64364902 -0.43792777 -0.62764258 436.23784511  
Axis 0.42894879 0.81528719 -0.38898551  
Axis point 185.63001803 0.00000000 137.69263890  
Rotation angle (degrees) 156.61069102  
Shift along axis -238.16533782  
  
Position of 6h03.cif Z (#2.26) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.56495386 0.82511442 0.00365092 187.83897407  
0.51627811 0.35693901 -0.77849307 -182.81709898  
-0.64364902 -0.43792777 -0.62764258 436.23784511  
Axis 0.42894879 0.81528719 -0.38898551  
Axis point 185.63001803 0.00000000 137.69263890  
Rotation angle (degrees) 156.61069102  
Shift along axis -238.16533782  
  
Position of 6h03.cif a (#2.27) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.56495386 0.82511442 0.00365092 187.83897407  
0.51627811 0.35693901 -0.77849307 -182.81709898  
-0.64364902 -0.43792777 -0.62764258 436.23784511  
Axis 0.42894879 0.81528719 -0.38898551  
Axis point 185.63001803 0.00000000 137.69263890  
Rotation angle (degrees) 156.61069102  
Shift along axis -238.16533782  
  
Position of 6h03.cif b (#2.28) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.56495386 0.82511442 0.00365092 187.83897407  
0.51627811 0.35693901 -0.77849307 -182.81709898  
-0.64364902 -0.43792777 -0.62764258 436.23784511  
Axis 0.42894879 0.81528719 -0.38898551  
Axis point 185.63001803 0.00000000 137.69263890  
Rotation angle (degrees) 156.61069102  
Shift along axis -238.16533782  
  
Position of 6h03.cif c (#2.29) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.56495386 0.82511442 0.00365092 187.83897407  
0.51627811 0.35693901 -0.77849307 -182.81709898  
-0.64364902 -0.43792777 -0.62764258 436.23784511  
Axis 0.42894879 0.81528719 -0.38898551  
Axis point 185.63001803 0.00000000 137.69263890  
Rotation angle (degrees) 156.61069102  
Shift along axis -238.16533782  
  
Position of 6h03.cif d (#2.30) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.56495386 0.82511442 0.00365092 187.83897407  
0.51627811 0.35693901 -0.77849307 -182.81709898  
-0.64364902 -0.43792777 -0.62764258 436.23784511  
Axis 0.42894879 0.81528719 -0.38898551  
Axis point 185.63001803 0.00000000 137.69263890  
Rotation angle (degrees) 156.61069102  
Shift along axis -238.16533782  
  
Position of 6h03.cif e (#2.31) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.56495386 0.82511442 0.00365092 187.83897407  
0.51627811 0.35693901 -0.77849307 -182.81709898  
-0.64364902 -0.43792777 -0.62764258 436.23784511  
Axis 0.42894879 0.81528719 -0.38898551  
Axis point 185.63001803 0.00000000 137.69263890  
Rotation angle (degrees) 156.61069102  
Shift along axis -238.16533782  
  
Fit molecules 6h03.cif A (#2.1), 6h03.cif B (#2.2), 6h03.cif C (#2.3),
6h03.cif D (#2.4), 6h03.cif E (#2.5), 6h03.cif F (#2.6), 6h03.cif G (#2.7),
6h03.cif H (#2.8), 6h03.cif I (#2.9), 6h03.cif P (#2.16), 6h03.cif Y (#2.25),
6h03.cif Z (#2.26), 6h03.cif a (#2.27), 6h03.cif b (#2.28), 6h03.cif c
(#2.29), 6h03.cif d (#2.30), 6h03.cif e (#2.31) to map
cryosparc_P1_J175_005_volume_map.mrc (#1) using 45914 atoms  
average map value = 0.13, steps = 228  
shifted from previous position = 4.23e-13  
rotated from previous position = 27.7 degrees  
atoms outside contour = 29732, contour level = 0.15615  
  
Position of 6h03.cif A (#2.1) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.56495386 0.82511442 0.00365092 187.83897407  
0.51627811 0.35693901 -0.77849307 -182.81709898  
-0.64364902 -0.43792777 -0.62764258 436.23784511  
Axis 0.42894879 0.81528719 -0.38898551  
Axis point 185.63001803 0.00000000 137.69263890  
Rotation angle (degrees) 156.61069102  
Shift along axis -238.16533782  
  
Position of 6h03.cif B (#2.2) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.56495386 0.82511442 0.00365092 187.83897407  
0.51627811 0.35693901 -0.77849307 -182.81709898  
-0.64364902 -0.43792777 -0.62764258 436.23784511  
Axis 0.42894879 0.81528719 -0.38898551  
Axis point 185.63001803 0.00000000 137.69263890  
Rotation angle (degrees) 156.61069102  
Shift along axis -238.16533782  
  
Position of 6h03.cif C (#2.3) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.56495386 0.82511442 0.00365092 187.83897407  
0.51627811 0.35693901 -0.77849307 -182.81709898  
-0.64364902 -0.43792777 -0.62764258 436.23784511  
Axis 0.42894879 0.81528719 -0.38898551  
Axis point 185.63001803 0.00000000 137.69263890  
Rotation angle (degrees) 156.61069102  
Shift along axis -238.16533782  
  
Position of 6h03.cif D (#2.4) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.56495386 0.82511442 0.00365092 187.83897407  
0.51627811 0.35693901 -0.77849307 -182.81709898  
-0.64364902 -0.43792777 -0.62764258 436.23784511  
Axis 0.42894879 0.81528719 -0.38898551  
Axis point 185.63001803 0.00000000 137.69263890  
Rotation angle (degrees) 156.61069102  
Shift along axis -238.16533782  
  
Position of 6h03.cif E (#2.5) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.56495386 0.82511442 0.00365092 187.83897407  
0.51627811 0.35693901 -0.77849307 -182.81709898  
-0.64364902 -0.43792777 -0.62764258 436.23784511  
Axis 0.42894879 0.81528719 -0.38898551  
Axis point 185.63001803 0.00000000 137.69263890  
Rotation angle (degrees) 156.61069102  
Shift along axis -238.16533782  
  
Position of 6h03.cif F (#2.6) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.56495386 0.82511442 0.00365092 187.83897407  
0.51627811 0.35693901 -0.77849307 -182.81709898  
-0.64364902 -0.43792777 -0.62764258 436.23784511  
Axis 0.42894879 0.81528719 -0.38898551  
Axis point 185.63001803 0.00000000 137.69263890  
Rotation angle (degrees) 156.61069102  
Shift along axis -238.16533782  
  
Position of 6h03.cif G (#2.7) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.56495386 0.82511442 0.00365092 187.83897407  
0.51627811 0.35693901 -0.77849307 -182.81709898  
-0.64364902 -0.43792777 -0.62764258 436.23784511  
Axis 0.42894879 0.81528719 -0.38898551  
Axis point 185.63001803 0.00000000 137.69263890  
Rotation angle (degrees) 156.61069102  
Shift along axis -238.16533782  
  
Position of 6h03.cif H (#2.8) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.56495386 0.82511442 0.00365092 187.83897407  
0.51627811 0.35693901 -0.77849307 -182.81709898  
-0.64364902 -0.43792777 -0.62764258 436.23784511  
Axis 0.42894879 0.81528719 -0.38898551  
Axis point 185.63001803 0.00000000 137.69263890  
Rotation angle (degrees) 156.61069102  
Shift along axis -238.16533782  
  
Position of 6h03.cif I (#2.9) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.56495386 0.82511442 0.00365092 187.83897407  
0.51627811 0.35693901 -0.77849307 -182.81709898  
-0.64364902 -0.43792777 -0.62764258 436.23784511  
Axis 0.42894879 0.81528719 -0.38898551  
Axis point 185.63001803 0.00000000 137.69263890  
Rotation angle (degrees) 156.61069102  
Shift along axis -238.16533782  
  
Position of 6h03.cif P (#2.16) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.56495386 0.82511442 0.00365092 187.83897407  
0.51627811 0.35693901 -0.77849307 -182.81709898  
-0.64364902 -0.43792777 -0.62764258 436.23784511  
Axis 0.42894879 0.81528719 -0.38898551  
Axis point 185.63001803 0.00000000 137.69263890  
Rotation angle (degrees) 156.61069102  
Shift along axis -238.16533782  
  
Position of 6h03.cif Y (#2.25) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.56495386 0.82511442 0.00365092 187.83897407  
0.51627811 0.35693901 -0.77849307 -182.81709898  
-0.64364902 -0.43792777 -0.62764258 436.23784511  
Axis 0.42894879 0.81528719 -0.38898551  
Axis point 185.63001803 0.00000000 137.69263890  
Rotation angle (degrees) 156.61069102  
Shift along axis -238.16533782  
  
Position of 6h03.cif Z (#2.26) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.56495386 0.82511442 0.00365092 187.83897407  
0.51627811 0.35693901 -0.77849307 -182.81709898  
-0.64364902 -0.43792777 -0.62764258 436.23784511  
Axis 0.42894879 0.81528719 -0.38898551  
Axis point 185.63001803 0.00000000 137.69263890  
Rotation angle (degrees) 156.61069102  
Shift along axis -238.16533782  
  
Position of 6h03.cif a (#2.27) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.56495386 0.82511442 0.00365092 187.83897407  
0.51627811 0.35693901 -0.77849307 -182.81709898  
-0.64364902 -0.43792777 -0.62764258 436.23784511  
Axis 0.42894879 0.81528719 -0.38898551  
Axis point 185.63001803 0.00000000 137.69263890  
Rotation angle (degrees) 156.61069102  
Shift along axis -238.16533782  
  
Position of 6h03.cif b (#2.28) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.56495386 0.82511442 0.00365092 187.83897407  
0.51627811 0.35693901 -0.77849307 -182.81709898  
-0.64364902 -0.43792777 -0.62764258 436.23784511  
Axis 0.42894879 0.81528719 -0.38898551  
Axis point 185.63001803 0.00000000 137.69263890  
Rotation angle (degrees) 156.61069102  
Shift along axis -238.16533782  
  
Position of 6h03.cif c (#2.29) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.56495386 0.82511442 0.00365092 187.83897407  
0.51627811 0.35693901 -0.77849307 -182.81709898  
-0.64364902 -0.43792777 -0.62764258 436.23784511  
Axis 0.42894879 0.81528719 -0.38898551  
Axis point 185.63001803 0.00000000 137.69263890  
Rotation angle (degrees) 156.61069102  
Shift along axis -238.16533782  
  
Position of 6h03.cif d (#2.30) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.56495386 0.82511442 0.00365092 187.83897407  
0.51627811 0.35693901 -0.77849307 -182.81709898  
-0.64364902 -0.43792777 -0.62764258 436.23784511  
Axis 0.42894879 0.81528719 -0.38898551  
Axis point 185.63001803 0.00000000 137.69263890  
Rotation angle (degrees) 156.61069102  
Shift along axis -238.16533782  
  
Position of 6h03.cif e (#2.31) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.56495386 0.82511442 0.00365092 187.83897407  
0.51627811 0.35693901 -0.77849307 -182.81709898  
-0.64364902 -0.43792777 -0.62764258 436.23784511  
Axis 0.42894879 0.81528719 -0.38898551  
Axis point 185.63001803 0.00000000 137.69263890  
Rotation angle (degrees) 156.61069102  
Shift along axis -238.16533782  
  
Fit molecules 6h03.cif A (#2.1), 6h03.cif B (#2.2), 6h03.cif C (#2.3),
6h03.cif D (#2.4), 6h03.cif E (#2.5), 6h03.cif F (#2.6), 6h03.cif G (#2.7),
6h03.cif H (#2.8), 6h03.cif I (#2.9), 6h03.cif P (#2.16), 6h03.cif Y (#2.25),
6h03.cif Z (#2.26), 6h03.cif a (#2.27), 6h03.cif b (#2.28), 6h03.cif c
(#2.29), 6h03.cif d (#2.30), 6h03.cif e (#2.31) to map
cryosparc_P1_J175_005_volume_map.mrc (#1) using 45914 atoms  
average map value = 0.1464, steps = 124  
shifted from previous position = 27.4  
rotated from previous position = 0 degrees  
atoms outside contour = 29197, contour level = 0.15615  
  
Position of 6h03.cif A (#2.1) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.27812674 0.89164944 0.35722094 139.84734674  
0.35205217 0.44064088 -0.82576927 -131.95124787  
-0.89370285 -0.10390811 -0.43646113 462.32962316  
Axis 0.46820246 0.81135490 -0.34998526  
Axis point 221.50886836 0.00000000 134.48513750  
Rotation angle (degrees) 129.56650900  
Shift along axis -203.39097423  
  
Position of 6h03.cif B (#2.2) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.27812674 0.89164944 0.35722094 139.84734674  
0.35205217 0.44064088 -0.82576927 -131.95124787  
-0.89370285 -0.10390811 -0.43646113 462.32962316  
Axis 0.46820246 0.81135490 -0.34998526  
Axis point 221.50886836 0.00000000 134.48513750  
Rotation angle (degrees) 129.56650900  
Shift along axis -203.39097423  
  
Position of 6h03.cif C (#2.3) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.27812674 0.89164944 0.35722094 139.84734674  
0.35205217 0.44064088 -0.82576927 -131.95124787  
-0.89370285 -0.10390811 -0.43646113 462.32962316  
Axis 0.46820246 0.81135490 -0.34998526  
Axis point 221.50886836 0.00000000 134.48513750  
Rotation angle (degrees) 129.56650900  
Shift along axis -203.39097423  
  
Position of 6h03.cif D (#2.4) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.27812674 0.89164944 0.35722094 139.84734674  
0.35205217 0.44064088 -0.82576927 -131.95124787  
-0.89370285 -0.10390811 -0.43646113 462.32962316  
Axis 0.46820246 0.81135490 -0.34998526  
Axis point 221.50886836 0.00000000 134.48513750  
Rotation angle (degrees) 129.56650900  
Shift along axis -203.39097423  
  
Position of 6h03.cif E (#2.5) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.27812674 0.89164944 0.35722094 139.84734674  
0.35205217 0.44064088 -0.82576927 -131.95124787  
-0.89370285 -0.10390811 -0.43646113 462.32962316  
Axis 0.46820246 0.81135490 -0.34998526  
Axis point 221.50886836 0.00000000 134.48513750  
Rotation angle (degrees) 129.56650900  
Shift along axis -203.39097423  
  
Position of 6h03.cif F (#2.6) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.27812674 0.89164944 0.35722094 139.84734674  
0.35205217 0.44064088 -0.82576927 -131.95124787  
-0.89370285 -0.10390811 -0.43646113 462.32962316  
Axis 0.46820246 0.81135490 -0.34998526  
Axis point 221.50886836 0.00000000 134.48513750  
Rotation angle (degrees) 129.56650900  
Shift along axis -203.39097423  
  
Position of 6h03.cif G (#2.7) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.27812674 0.89164944 0.35722094 139.84734674  
0.35205217 0.44064088 -0.82576927 -131.95124787  
-0.89370285 -0.10390811 -0.43646113 462.32962316  
Axis 0.46820246 0.81135490 -0.34998526  
Axis point 221.50886836 0.00000000 134.48513750  
Rotation angle (degrees) 129.56650900  
Shift along axis -203.39097423  
  
Position of 6h03.cif H (#2.8) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.27812674 0.89164944 0.35722094 139.84734674  
0.35205217 0.44064088 -0.82576927 -131.95124787  
-0.89370285 -0.10390811 -0.43646113 462.32962316  
Axis 0.46820246 0.81135490 -0.34998526  
Axis point 221.50886836 0.00000000 134.48513750  
Rotation angle (degrees) 129.56650900  
Shift along axis -203.39097423  
  
Position of 6h03.cif I (#2.9) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.27812674 0.89164944 0.35722094 139.84734674  
0.35205217 0.44064088 -0.82576927 -131.95124787  
-0.89370285 -0.10390811 -0.43646113 462.32962316  
Axis 0.46820246 0.81135490 -0.34998526  
Axis point 221.50886836 0.00000000 134.48513750  
Rotation angle (degrees) 129.56650900  
Shift along axis -203.39097423  
  
Position of 6h03.cif P (#2.16) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.27812674 0.89164944 0.35722094 139.84734674  
0.35205217 0.44064088 -0.82576927 -131.95124787  
-0.89370285 -0.10390811 -0.43646113 462.32962316  
Axis 0.46820246 0.81135490 -0.34998526  
Axis point 221.50886836 0.00000000 134.48513750  
Rotation angle (degrees) 129.56650900  
Shift along axis -203.39097423  
  
Position of 6h03.cif Y (#2.25) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.27812674 0.89164944 0.35722094 139.84734674  
0.35205217 0.44064088 -0.82576927 -131.95124787  
-0.89370285 -0.10390811 -0.43646113 462.32962316  
Axis 0.46820246 0.81135490 -0.34998526  
Axis point 221.50886836 0.00000000 134.48513750  
Rotation angle (degrees) 129.56650900  
Shift along axis -203.39097423  
  
Position of 6h03.cif Z (#2.26) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.27812674 0.89164944 0.35722094 139.84734674  
0.35205217 0.44064088 -0.82576927 -131.95124787  
-0.89370285 -0.10390811 -0.43646113 462.32962316  
Axis 0.46820246 0.81135490 -0.34998526  
Axis point 221.50886836 0.00000000 134.48513750  
Rotation angle (degrees) 129.56650900  
Shift along axis -203.39097423  
  
Position of 6h03.cif a (#2.27) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.27812674 0.89164944 0.35722094 139.84734674  
0.35205217 0.44064088 -0.82576927 -131.95124787  
-0.89370285 -0.10390811 -0.43646113 462.32962316  
Axis 0.46820246 0.81135490 -0.34998526  
Axis point 221.50886836 0.00000000 134.48513750  
Rotation angle (degrees) 129.56650900  
Shift along axis -203.39097423  
  
Position of 6h03.cif b (#2.28) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.27812674 0.89164944 0.35722094 139.84734674  
0.35205217 0.44064088 -0.82576927 -131.95124787  
-0.89370285 -0.10390811 -0.43646113 462.32962316  
Axis 0.46820246 0.81135490 -0.34998526  
Axis point 221.50886836 0.00000000 134.48513750  
Rotation angle (degrees) 129.56650900  
Shift along axis -203.39097423  
  
Position of 6h03.cif c (#2.29) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.27812674 0.89164944 0.35722094 139.84734674  
0.35205217 0.44064088 -0.82576927 -131.95124787  
-0.89370285 -0.10390811 -0.43646113 462.32962316  
Axis 0.46820246 0.81135490 -0.34998526  
Axis point 221.50886836 0.00000000 134.48513750  
Rotation angle (degrees) 129.56650900  
Shift along axis -203.39097423  
  
Position of 6h03.cif d (#2.30) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.27812674 0.89164944 0.35722094 139.84734674  
0.35205217 0.44064088 -0.82576927 -131.95124787  
-0.89370285 -0.10390811 -0.43646113 462.32962316  
Axis 0.46820246 0.81135490 -0.34998526  
Axis point 221.50886836 0.00000000 134.48513750  
Rotation angle (degrees) 129.56650900  
Shift along axis -203.39097423  
  
Position of 6h03.cif e (#2.31) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.27812674 0.89164944 0.35722094 139.84734674  
0.35205217 0.44064088 -0.82576927 -131.95124787  
-0.89370285 -0.10390811 -0.43646113 462.32962316  
Axis 0.46820246 0.81135490 -0.34998526  
Axis point 221.50886836 0.00000000 134.48513750  
Rotation angle (degrees) 129.56650900  
Shift along axis -203.39097423  
  
Fit molecules 6h03.cif A (#2.1), 6h03.cif B (#2.2), 6h03.cif C (#2.3),
6h03.cif D (#2.4), 6h03.cif E (#2.5), 6h03.cif F (#2.6), 6h03.cif G (#2.7),
6h03.cif H (#2.8), 6h03.cif I (#2.9), 6h03.cif P (#2.16), 6h03.cif Y (#2.25),
6h03.cif Z (#2.26), 6h03.cif a (#2.27), 6h03.cif b (#2.28), 6h03.cif c
(#2.29), 6h03.cif d (#2.30), 6h03.cif e (#2.31) to map
cryosparc_P1_J175_005_volume_map.mrc (#1) using 45914 atoms  
average map value = 0.09127, steps = 252  
shifted from previous position = 5.16e-13  
rotated from previous position = 26.2 degrees  
atoms outside contour = 34144, contour level = 0.15615  
  
Position of 6h03.cif A (#2.1) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.66510631 0.70798516 0.23746706 281.04541069  
0.35227640 0.57786714 -0.73618674 -154.78419284  
-0.65843369 -0.40598841 -0.63374954 445.13504829  
Axis 0.32406701 0.87926512 -0.34910374  
Axis point 227.46636272 0.00000000 137.96311011  
Rotation angle (degrees) 149.37213517  
Shift along axis -200.41710858  
  
Position of 6h03.cif B (#2.2) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.66510631 0.70798516 0.23746706 281.04541069  
0.35227640 0.57786714 -0.73618674 -154.78419284  
-0.65843369 -0.40598841 -0.63374954 445.13504829  
Axis 0.32406701 0.87926512 -0.34910374  
Axis point 227.46636272 0.00000000 137.96311011  
Rotation angle (degrees) 149.37213517  
Shift along axis -200.41710858  
  
Position of 6h03.cif C (#2.3) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.66510631 0.70798516 0.23746706 281.04541069  
0.35227640 0.57786714 -0.73618674 -154.78419284  
-0.65843369 -0.40598841 -0.63374954 445.13504829  
Axis 0.32406701 0.87926512 -0.34910374  
Axis point 227.46636272 0.00000000 137.96311011  
Rotation angle (degrees) 149.37213517  
Shift along axis -200.41710858  
  
Position of 6h03.cif D (#2.4) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.66510631 0.70798516 0.23746706 281.04541069  
0.35227640 0.57786714 -0.73618674 -154.78419284  
-0.65843369 -0.40598841 -0.63374954 445.13504829  
Axis 0.32406701 0.87926512 -0.34910374  
Axis point 227.46636272 0.00000000 137.96311011  
Rotation angle (degrees) 149.37213517  
Shift along axis -200.41710858  
  
Position of 6h03.cif E (#2.5) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.66510631 0.70798516 0.23746706 281.04541069  
0.35227640 0.57786714 -0.73618674 -154.78419284  
-0.65843369 -0.40598841 -0.63374954 445.13504829  
Axis 0.32406701 0.87926512 -0.34910374  
Axis point 227.46636272 0.00000000 137.96311011  
Rotation angle (degrees) 149.37213517  
Shift along axis -200.41710858  
  
Position of 6h03.cif F (#2.6) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.66510631 0.70798516 0.23746706 281.04541069  
0.35227640 0.57786714 -0.73618674 -154.78419284  
-0.65843369 -0.40598841 -0.63374954 445.13504829  
Axis 0.32406701 0.87926512 -0.34910374  
Axis point 227.46636272 0.00000000 137.96311011  
Rotation angle (degrees) 149.37213517  
Shift along axis -200.41710858  
  
Position of 6h03.cif G (#2.7) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.66510631 0.70798516 0.23746706 281.04541069  
0.35227640 0.57786714 -0.73618674 -154.78419284  
-0.65843369 -0.40598841 -0.63374954 445.13504829  
Axis 0.32406701 0.87926512 -0.34910374  
Axis point 227.46636272 0.00000000 137.96311011  
Rotation angle (degrees) 149.37213517  
Shift along axis -200.41710858  
  
Position of 6h03.cif H (#2.8) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.66510631 0.70798516 0.23746706 281.04541069  
0.35227640 0.57786714 -0.73618674 -154.78419284  
-0.65843369 -0.40598841 -0.63374954 445.13504829  
Axis 0.32406701 0.87926512 -0.34910374  
Axis point 227.46636272 0.00000000 137.96311011  
Rotation angle (degrees) 149.37213517  
Shift along axis -200.41710858  
  
Position of 6h03.cif I (#2.9) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.66510631 0.70798516 0.23746706 281.04541069  
0.35227640 0.57786714 -0.73618674 -154.78419284  
-0.65843369 -0.40598841 -0.63374954 445.13504829  
Axis 0.32406701 0.87926512 -0.34910374  
Axis point 227.46636272 0.00000000 137.96311011  
Rotation angle (degrees) 149.37213517  
Shift along axis -200.41710858  
  
Position of 6h03.cif P (#2.16) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.66510631 0.70798516 0.23746706 281.04541069  
0.35227640 0.57786714 -0.73618674 -154.78419284  
-0.65843369 -0.40598841 -0.63374954 445.13504829  
Axis 0.32406701 0.87926512 -0.34910374  
Axis point 227.46636272 0.00000000 137.96311011  
Rotation angle (degrees) 149.37213517  
Shift along axis -200.41710858  
  
Position of 6h03.cif Y (#2.25) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.66510631 0.70798516 0.23746706 281.04541069  
0.35227640 0.57786714 -0.73618674 -154.78419284  
-0.65843369 -0.40598841 -0.63374954 445.13504829  
Axis 0.32406701 0.87926512 -0.34910374  
Axis point 227.46636272 0.00000000 137.96311011  
Rotation angle (degrees) 149.37213517  
Shift along axis -200.41710858  
  
Position of 6h03.cif Z (#2.26) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.66510631 0.70798516 0.23746706 281.04541069  
0.35227640 0.57786714 -0.73618674 -154.78419284  
-0.65843369 -0.40598841 -0.63374954 445.13504829  
Axis 0.32406701 0.87926512 -0.34910374  
Axis point 227.46636272 0.00000000 137.96311011  
Rotation angle (degrees) 149.37213517  
Shift along axis -200.41710858  
  
Position of 6h03.cif a (#2.27) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.66510631 0.70798516 0.23746706 281.04541069  
0.35227640 0.57786714 -0.73618674 -154.78419284  
-0.65843369 -0.40598841 -0.63374954 445.13504829  
Axis 0.32406701 0.87926512 -0.34910374  
Axis point 227.46636272 0.00000000 137.96311011  
Rotation angle (degrees) 149.37213517  
Shift along axis -200.41710858  
  
Position of 6h03.cif b (#2.28) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.66510631 0.70798516 0.23746706 281.04541069  
0.35227640 0.57786714 -0.73618674 -154.78419284  
-0.65843369 -0.40598841 -0.63374954 445.13504829  
Axis 0.32406701 0.87926512 -0.34910374  
Axis point 227.46636272 0.00000000 137.96311011  
Rotation angle (degrees) 149.37213517  
Shift along axis -200.41710858  
  
Position of 6h03.cif c (#2.29) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.66510631 0.70798516 0.23746706 281.04541069  
0.35227640 0.57786714 -0.73618674 -154.78419284  
-0.65843369 -0.40598841 -0.63374954 445.13504829  
Axis 0.32406701 0.87926512 -0.34910374  
Axis point 227.46636272 0.00000000 137.96311011  
Rotation angle (degrees) 149.37213517  
Shift along axis -200.41710858  
  
Position of 6h03.cif d (#2.30) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.66510631 0.70798516 0.23746706 281.04541069  
0.35227640 0.57786714 -0.73618674 -154.78419284  
-0.65843369 -0.40598841 -0.63374954 445.13504829  
Axis 0.32406701 0.87926512 -0.34910374  
Axis point 227.46636272 0.00000000 137.96311011  
Rotation angle (degrees) 149.37213517  
Shift along axis -200.41710858  
  
Position of 6h03.cif e (#2.31) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.66510631 0.70798516 0.23746706 281.04541069  
0.35227640 0.57786714 -0.73618674 -154.78419284  
-0.65843369 -0.40598841 -0.63374954 445.13504829  
Axis 0.32406701 0.87926512 -0.34910374  
Axis point 227.46636272 0.00000000 137.96311011  
Rotation angle (degrees) 149.37213517  
Shift along axis -200.41710858  
  

> cofr sel

Fit molecules 6h03.cif A (#2.1), 6h03.cif B (#2.2), 6h03.cif C (#2.3),
6h03.cif D (#2.4), 6h03.cif E (#2.5), 6h03.cif F (#2.6), 6h03.cif G (#2.7),
6h03.cif H (#2.8), 6h03.cif I (#2.9), 6h03.cif P (#2.16), 6h03.cif Y (#2.25),
6h03.cif Z (#2.26), 6h03.cif a (#2.27), 6h03.cif b (#2.28), 6h03.cif c
(#2.29), 6h03.cif d (#2.30), 6h03.cif e (#2.31) to map
cryosparc_P1_J175_005_volume_map.mrc (#1) using 45914 atoms  
average map value = 0.04706, steps = 624  
shifted from previous position = 6.49e-13  
rotated from previous position = 70.6 degrees  
atoms outside contour = 40529, contour level = 0.15615  
  
Position of 6h03.cif A (#2.1) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.58911115 0.80728844 -0.03512024 223.28282620  
-0.37052397 -0.30849991 -0.87609349 321.39813725  
-0.71809473 -0.50310355 0.48086045 514.61014241  
Axis 0.26421856 0.48380539 -0.83433860  
Axis point 298.44169169 240.56047055 0.00000000  
Rotation angle (degrees) 135.10287900  
Shift along axis -214.86948900  
  
Position of 6h03.cif B (#2.2) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.58911115 0.80728844 -0.03512024 223.28282620  
-0.37052397 -0.30849991 -0.87609349 321.39813725  
-0.71809473 -0.50310355 0.48086045 514.61014241  
Axis 0.26421856 0.48380539 -0.83433860  
Axis point 298.44169169 240.56047055 0.00000000  
Rotation angle (degrees) 135.10287900  
Shift along axis -214.86948900  
  
Position of 6h03.cif C (#2.3) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.58911115 0.80728844 -0.03512024 223.28282620  
-0.37052397 -0.30849991 -0.87609349 321.39813725  
-0.71809473 -0.50310355 0.48086045 514.61014241  
Axis 0.26421856 0.48380539 -0.83433860  
Axis point 298.44169169 240.56047055 0.00000000  
Rotation angle (degrees) 135.10287900  
Shift along axis -214.86948900  
  
Position of 6h03.cif D (#2.4) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.58911115 0.80728844 -0.03512024 223.28282620  
-0.37052397 -0.30849991 -0.87609349 321.39813725  
-0.71809473 -0.50310355 0.48086045 514.61014241  
Axis 0.26421856 0.48380539 -0.83433860  
Axis point 298.44169169 240.56047055 0.00000000  
Rotation angle (degrees) 135.10287900  
Shift along axis -214.86948900  
  
Position of 6h03.cif E (#2.5) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.58911115 0.80728844 -0.03512024 223.28282620  
-0.37052397 -0.30849991 -0.87609349 321.39813725  
-0.71809473 -0.50310355 0.48086045 514.61014241  
Axis 0.26421856 0.48380539 -0.83433860  
Axis point 298.44169169 240.56047055 0.00000000  
Rotation angle (degrees) 135.10287900  
Shift along axis -214.86948900  
  
Position of 6h03.cif F (#2.6) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.58911115 0.80728844 -0.03512024 223.28282620  
-0.37052397 -0.30849991 -0.87609349 321.39813725  
-0.71809473 -0.50310355 0.48086045 514.61014241  
Axis 0.26421856 0.48380539 -0.83433860  
Axis point 298.44169169 240.56047055 0.00000000  
Rotation angle (degrees) 135.10287900  
Shift along axis -214.86948900  
  
Position of 6h03.cif G (#2.7) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.58911115 0.80728844 -0.03512024 223.28282620  
-0.37052397 -0.30849991 -0.87609349 321.39813725  
-0.71809473 -0.50310355 0.48086045 514.61014241  
Axis 0.26421856 0.48380539 -0.83433860  
Axis point 298.44169169 240.56047055 0.00000000  
Rotation angle (degrees) 135.10287900  
Shift along axis -214.86948900  
  
Position of 6h03.cif H (#2.8) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.58911115 0.80728844 -0.03512024 223.28282620  
-0.37052397 -0.30849991 -0.87609349 321.39813725  
-0.71809473 -0.50310355 0.48086045 514.61014241  
Axis 0.26421856 0.48380539 -0.83433860  
Axis point 298.44169169 240.56047055 0.00000000  
Rotation angle (degrees) 135.10287900  
Shift along axis -214.86948900  
  
Position of 6h03.cif I (#2.9) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.58911115 0.80728844 -0.03512024 223.28282620  
-0.37052397 -0.30849991 -0.87609349 321.39813725  
-0.71809473 -0.50310355 0.48086045 514.61014241  
Axis 0.26421856 0.48380539 -0.83433860  
Axis point 298.44169169 240.56047055 0.00000000  
Rotation angle (degrees) 135.10287900  
Shift along axis -214.86948900  
  
Position of 6h03.cif P (#2.16) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.58911115 0.80728844 -0.03512024 223.28282620  
-0.37052397 -0.30849991 -0.87609349 321.39813725  
-0.71809473 -0.50310355 0.48086045 514.61014241  
Axis 0.26421856 0.48380539 -0.83433860  
Axis point 298.44169169 240.56047055 0.00000000  
Rotation angle (degrees) 135.10287900  
Shift along axis -214.86948900  
  
Position of 6h03.cif Y (#2.25) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.58911115 0.80728844 -0.03512024 223.28282620  
-0.37052397 -0.30849991 -0.87609349 321.39813725  
-0.71809473 -0.50310355 0.48086045 514.61014241  
Axis 0.26421856 0.48380539 -0.83433860  
Axis point 298.44169169 240.56047055 0.00000000  
Rotation angle (degrees) 135.10287900  
Shift along axis -214.86948900  
  
Position of 6h03.cif Z (#2.26) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.58911115 0.80728844 -0.03512024 223.28282620  
-0.37052397 -0.30849991 -0.87609349 321.39813725  
-0.71809473 -0.50310355 0.48086045 514.61014241  
Axis 0.26421856 0.48380539 -0.83433860  
Axis point 298.44169169 240.56047055 0.00000000  
Rotation angle (degrees) 135.10287900  
Shift along axis -214.86948900  
  
Position of 6h03.cif a (#2.27) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.58911115 0.80728844 -0.03512024 223.28282620  
-0.37052397 -0.30849991 -0.87609349 321.39813725  
-0.71809473 -0.50310355 0.48086045 514.61014241  
Axis 0.26421856 0.48380539 -0.83433860  
Axis point 298.44169169 240.56047055 0.00000000  
Rotation angle (degrees) 135.10287900  
Shift along axis -214.86948900  
  
Position of 6h03.cif b (#2.28) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.58911115 0.80728844 -0.03512024 223.28282620  
-0.37052397 -0.30849991 -0.87609349 321.39813725  
-0.71809473 -0.50310355 0.48086045 514.61014241  
Axis 0.26421856 0.48380539 -0.83433860  
Axis point 298.44169169 240.56047055 0.00000000  
Rotation angle (degrees) 135.10287900  
Shift along axis -214.86948900  
  
Position of 6h03.cif c (#2.29) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.58911115 0.80728844 -0.03512024 223.28282620  
-0.37052397 -0.30849991 -0.87609349 321.39813725  
-0.71809473 -0.50310355 0.48086045 514.61014241  
Axis 0.26421856 0.48380539 -0.83433860  
Axis point 298.44169169 240.56047055 0.00000000  
Rotation angle (degrees) 135.10287900  
Shift along axis -214.86948900  
  
Position of 6h03.cif d (#2.30) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.58911115 0.80728844 -0.03512024 223.28282620  
-0.37052397 -0.30849991 -0.87609349 321.39813725  
-0.71809473 -0.50310355 0.48086045 514.61014241  
Axis 0.26421856 0.48380539 -0.83433860  
Axis point 298.44169169 240.56047055 0.00000000  
Rotation angle (degrees) 135.10287900  
Shift along axis -214.86948900  
  
Position of 6h03.cif e (#2.31) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.58911115 0.80728844 -0.03512024 223.28282620  
-0.37052397 -0.30849991 -0.87609349 321.39813725  
-0.71809473 -0.50310355 0.48086045 514.61014241  
Axis 0.26421856 0.48380539 -0.83433860  
Axis point 298.44169169 240.56047055 0.00000000  
Rotation angle (degrees) 135.10287900  
Shift along axis -214.86948900  
  
Fit molecules 6h03.cif A (#2.1), 6h03.cif B (#2.2), 6h03.cif C (#2.3),
6h03.cif D (#2.4), 6h03.cif E (#2.5), 6h03.cif F (#2.6), 6h03.cif G (#2.7),
6h03.cif H (#2.8), 6h03.cif I (#2.9), 6h03.cif P (#2.16), 6h03.cif Y (#2.25),
6h03.cif Z (#2.26), 6h03.cif a (#2.27), 6h03.cif b (#2.28), 6h03.cif c
(#2.29), 6h03.cif d (#2.30), 6h03.cif e (#2.31) to map
cryosparc_P1_J175_005_volume_map.mrc (#1) using 45914 atoms  
average map value = 0.1079, steps = 288  
shifted from previous position = 77.6  
rotated from previous position = 0 degrees  
atoms outside contour = 34405, contour level = 0.15615  
  
Position of 6h03.cif A (#2.1) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.66510631 0.70798516 0.23746706 297.06932654  
0.35227640 0.57786714 -0.73618674 -87.58573929  
-0.65843369 -0.40598841 -0.63374954 480.56551522  
Axis 0.32406701 0.87926512 -0.34910374  
Axis point 231.43369703 0.00000000 169.14287453  
Rotation angle (degrees) 149.37213517  
Shift along axis -148.50793838  
  
Position of 6h03.cif B (#2.2) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.66510631 0.70798516 0.23746706 297.06932654  
0.35227640 0.57786714 -0.73618674 -87.58573929  
-0.65843369 -0.40598841 -0.63374954 480.56551522  
Axis 0.32406701 0.87926512 -0.34910374  
Axis point 231.43369703 0.00000000 169.14287453  
Rotation angle (degrees) 149.37213517  
Shift along axis -148.50793838  
  
Position of 6h03.cif C (#2.3) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.66510631 0.70798516 0.23746706 297.06932654  
0.35227640 0.57786714 -0.73618674 -87.58573929  
-0.65843369 -0.40598841 -0.63374954 480.56551522  
Axis 0.32406701 0.87926512 -0.34910374  
Axis point 231.43369703 0.00000000 169.14287453  
Rotation angle (degrees) 149.37213517  
Shift along axis -148.50793838  
  
Position of 6h03.cif D (#2.4) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.66510631 0.70798516 0.23746706 297.06932654  
0.35227640 0.57786714 -0.73618674 -87.58573929  
-0.65843369 -0.40598841 -0.63374954 480.56551522  
Axis 0.32406701 0.87926512 -0.34910374  
Axis point 231.43369703 0.00000000 169.14287453  
Rotation angle (degrees) 149.37213517  
Shift along axis -148.50793838  
  
Position of 6h03.cif E (#2.5) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.66510631 0.70798516 0.23746706 297.06932654  
0.35227640 0.57786714 -0.73618674 -87.58573929  
-0.65843369 -0.40598841 -0.63374954 480.56551522  
Axis 0.32406701 0.87926512 -0.34910374  
Axis point 231.43369703 0.00000000 169.14287453  
Rotation angle (degrees) 149.37213517  
Shift along axis -148.50793838  
  
Position of 6h03.cif F (#2.6) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.66510631 0.70798516 0.23746706 297.06932654  
0.35227640 0.57786714 -0.73618674 -87.58573929  
-0.65843369 -0.40598841 -0.63374954 480.56551522  
Axis 0.32406701 0.87926512 -0.34910374  
Axis point 231.43369703 0.00000000 169.14287453  
Rotation angle (degrees) 149.37213517  
Shift along axis -148.50793838  
  
Position of 6h03.cif G (#2.7) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.66510631 0.70798516 0.23746706 297.06932654  
0.35227640 0.57786714 -0.73618674 -87.58573929  
-0.65843369 -0.40598841 -0.63374954 480.56551522  
Axis 0.32406701 0.87926512 -0.34910374  
Axis point 231.43369703 0.00000000 169.14287453  
Rotation angle (degrees) 149.37213517  
Shift along axis -148.50793838  
  
Position of 6h03.cif H (#2.8) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.66510631 0.70798516 0.23746706 297.06932654  
0.35227640 0.57786714 -0.73618674 -87.58573929  
-0.65843369 -0.40598841 -0.63374954 480.56551522  
Axis 0.32406701 0.87926512 -0.34910374  
Axis point 231.43369703 0.00000000 169.14287453  
Rotation angle (degrees) 149.37213517  
Shift along axis -148.50793838  
  
Position of 6h03.cif I (#2.9) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.66510631 0.70798516 0.23746706 297.06932654  
0.35227640 0.57786714 -0.73618674 -87.58573929  
-0.65843369 -0.40598841 -0.63374954 480.56551522  
Axis 0.32406701 0.87926512 -0.34910374  
Axis point 231.43369703 0.00000000 169.14287453  
Rotation angle (degrees) 149.37213517  
Shift along axis -148.50793838  
  
Position of 6h03.cif P (#2.16) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.66510631 0.70798516 0.23746706 297.06932654  
0.35227640 0.57786714 -0.73618674 -87.58573929  
-0.65843369 -0.40598841 -0.63374954 480.56551522  
Axis 0.32406701 0.87926512 -0.34910374  
Axis point 231.43369703 0.00000000 169.14287453  
Rotation angle (degrees) 149.37213517  
Shift along axis -148.50793838  
  
Position of 6h03.cif Y (#2.25) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.66510631 0.70798516 0.23746706 297.06932654  
0.35227640 0.57786714 -0.73618674 -87.58573929  
-0.65843369 -0.40598841 -0.63374954 480.56551522  
Axis 0.32406701 0.87926512 -0.34910374  
Axis point 231.43369703 0.00000000 169.14287453  
Rotation angle (degrees) 149.37213517  
Shift along axis -148.50793838  
  
Position of 6h03.cif Z (#2.26) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.66510631 0.70798516 0.23746706 297.06932654  
0.35227640 0.57786714 -0.73618674 -87.58573929  
-0.65843369 -0.40598841 -0.63374954 480.56551522  
Axis 0.32406701 0.87926512 -0.34910374  
Axis point 231.43369703 0.00000000 169.14287453  
Rotation angle (degrees) 149.37213517  
Shift along axis -148.50793838  
  
Position of 6h03.cif a (#2.27) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.66510631 0.70798516 0.23746706 297.06932654  
0.35227640 0.57786714 -0.73618674 -87.58573929  
-0.65843369 -0.40598841 -0.63374954 480.56551522  
Axis 0.32406701 0.87926512 -0.34910374  
Axis point 231.43369703 0.00000000 169.14287453  
Rotation angle (degrees) 149.37213517  
Shift along axis -148.50793838  
  
Position of 6h03.cif b (#2.28) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.66510631 0.70798516 0.23746706 297.06932654  
0.35227640 0.57786714 -0.73618674 -87.58573929  
-0.65843369 -0.40598841 -0.63374954 480.56551522  
Axis 0.32406701 0.87926512 -0.34910374  
Axis point 231.43369703 0.00000000 169.14287453  
Rotation angle (degrees) 149.37213517  
Shift along axis -148.50793838  
  
Position of 6h03.cif c (#2.29) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.66510631 0.70798516 0.23746706 297.06932654  
0.35227640 0.57786714 -0.73618674 -87.58573929  
-0.65843369 -0.40598841 -0.63374954 480.56551522  
Axis 0.32406701 0.87926512 -0.34910374  
Axis point 231.43369703 0.00000000 169.14287453  
Rotation angle (degrees) 149.37213517  
Shift along axis -148.50793838  
  
Position of 6h03.cif d (#2.30) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.66510631 0.70798516 0.23746706 297.06932654  
0.35227640 0.57786714 -0.73618674 -87.58573929  
-0.65843369 -0.40598841 -0.63374954 480.56551522  
Axis 0.32406701 0.87926512 -0.34910374  
Axis point 231.43369703 0.00000000 169.14287453  
Rotation angle (degrees) 149.37213517  
Shift along axis -148.50793838  
  
Position of 6h03.cif e (#2.31) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.66510631 0.70798516 0.23746706 297.06932654  
0.35227640 0.57786714 -0.73618674 -87.58573929  
-0.65843369 -0.40598841 -0.63374954 480.56551522  
Axis 0.32406701 0.87926512 -0.34910374  
Axis point 231.43369703 0.00000000 169.14287453  
Rotation angle (degrees) 149.37213517  
Shift along axis -148.50793838  
  
Fit molecules 6h03.cif A (#2.1), 6h03.cif B (#2.2), 6h03.cif C (#2.3),
6h03.cif D (#2.4), 6h03.cif E (#2.5), 6h03.cif F (#2.6), 6h03.cif G (#2.7),
6h03.cif H (#2.8), 6h03.cif I (#2.9), 6h03.cif P (#2.16), 6h03.cif Y (#2.25),
6h03.cif Z (#2.26), 6h03.cif a (#2.27), 6h03.cif b (#2.28), 6h03.cif c
(#2.29), 6h03.cif d (#2.30), 6h03.cif e (#2.31) to map
cryosparc_P1_J175_005_volume_map.mrc (#1) using 45914 atoms  
average map value = 0.1067, steps = 304  
shifted from previous position = 94.1  
rotated from previous position = 0 degrees  
atoms outside contour = 33958, contour level = 0.15615  
  
Position of 6h03.cif A (#2.1) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.66510631 0.70798516 0.23746706 247.65924340  
0.35227640 0.57786714 -0.73618674 -7.55488147  
-0.65843369 -0.40598841 -0.63374954 478.45407309  
Axis 0.32406701 0.87926512 -0.34910374  
Axis point 194.64647294 0.00000000 194.44894107  
Rotation angle (degrees) 149.37213517  
Shift along axis -93.41466188  
  
Position of 6h03.cif B (#2.2) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.66510631 0.70798516 0.23746706 247.65924340  
0.35227640 0.57786714 -0.73618674 -7.55488147  
-0.65843369 -0.40598841 -0.63374954 478.45407309  
Axis 0.32406701 0.87926512 -0.34910374  
Axis point 194.64647294 0.00000000 194.44894107  
Rotation angle (degrees) 149.37213517  
Shift along axis -93.41466188  
  
Position of 6h03.cif C (#2.3) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.66510631 0.70798516 0.23746706 247.65924340  
0.35227640 0.57786714 -0.73618674 -7.55488147  
-0.65843369 -0.40598841 -0.63374954 478.45407309  
Axis 0.32406701 0.87926512 -0.34910374  
Axis point 194.64647294 0.00000000 194.44894107  
Rotation angle (degrees) 149.37213517  
Shift along axis -93.41466188  
  
Position of 6h03.cif D (#2.4) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.66510631 0.70798516 0.23746706 247.65924340  
0.35227640 0.57786714 -0.73618674 -7.55488147  
-0.65843369 -0.40598841 -0.63374954 478.45407309  
Axis 0.32406701 0.87926512 -0.34910374  
Axis point 194.64647294 0.00000000 194.44894107  
Rotation angle (degrees) 149.37213517  
Shift along axis -93.41466188  
  
Position of 6h03.cif E (#2.5) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.66510631 0.70798516 0.23746706 247.65924340  
0.35227640 0.57786714 -0.73618674 -7.55488147  
-0.65843369 -0.40598841 -0.63374954 478.45407309  
Axis 0.32406701 0.87926512 -0.34910374  
Axis point 194.64647294 0.00000000 194.44894107  
Rotation angle (degrees) 149.37213517  
Shift along axis -93.41466188  
  
Position of 6h03.cif F (#2.6) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.66510631 0.70798516 0.23746706 247.65924340  
0.35227640 0.57786714 -0.73618674 -7.55488147  
-0.65843369 -0.40598841 -0.63374954 478.45407309  
Axis 0.32406701 0.87926512 -0.34910374  
Axis point 194.64647294 0.00000000 194.44894107  
Rotation angle (degrees) 149.37213517  
Shift along axis -93.41466188  
  
Position of 6h03.cif G (#2.7) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.66510631 0.70798516 0.23746706 247.65924340  
0.35227640 0.57786714 -0.73618674 -7.55488147  
-0.65843369 -0.40598841 -0.63374954 478.45407309  
Axis 0.32406701 0.87926512 -0.34910374  
Axis point 194.64647294 0.00000000 194.44894107  
Rotation angle (degrees) 149.37213517  
Shift along axis -93.41466188  
  
Position of 6h03.cif H (#2.8) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.66510631 0.70798516 0.23746706 247.65924340  
0.35227640 0.57786714 -0.73618674 -7.55488147  
-0.65843369 -0.40598841 -0.63374954 478.45407309  
Axis 0.32406701 0.87926512 -0.34910374  
Axis point 194.64647294 0.00000000 194.44894107  
Rotation angle (degrees) 149.37213517  
Shift along axis -93.41466188  
  
Position of 6h03.cif I (#2.9) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.66510631 0.70798516 0.23746706 247.65924340  
0.35227640 0.57786714 -0.73618674 -7.55488147  
-0.65843369 -0.40598841 -0.63374954 478.45407309  
Axis 0.32406701 0.87926512 -0.34910374  
Axis point 194.64647294 0.00000000 194.44894107  
Rotation angle (degrees) 149.37213517  
Shift along axis -93.41466188  
  
Position of 6h03.cif P (#2.16) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.66510631 0.70798516 0.23746706 247.65924340  
0.35227640 0.57786714 -0.73618674 -7.55488147  
-0.65843369 -0.40598841 -0.63374954 478.45407309  
Axis 0.32406701 0.87926512 -0.34910374  
Axis point 194.64647294 0.00000000 194.44894107  
Rotation angle (degrees) 149.37213517  
Shift along axis -93.41466188  
  
Position of 6h03.cif Y (#2.25) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.66510631 0.70798516 0.23746706 247.65924340  
0.35227640 0.57786714 -0.73618674 -7.55488147  
-0.65843369 -0.40598841 -0.63374954 478.45407309  
Axis 0.32406701 0.87926512 -0.34910374  
Axis point 194.64647294 0.00000000 194.44894107  
Rotation angle (degrees) 149.37213517  
Shift along axis -93.41466188  
  
Position of 6h03.cif Z (#2.26) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.66510631 0.70798516 0.23746706 247.65924340  
0.35227640 0.57786714 -0.73618674 -7.55488147  
-0.65843369 -0.40598841 -0.63374954 478.45407309  
Axis 0.32406701 0.87926512 -0.34910374  
Axis point 194.64647294 0.00000000 194.44894107  
Rotation angle (degrees) 149.37213517  
Shift along axis -93.41466188  
  
Position of 6h03.cif a (#2.27) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.66510631 0.70798516 0.23746706 247.65924340  
0.35227640 0.57786714 -0.73618674 -7.55488147  
-0.65843369 -0.40598841 -0.63374954 478.45407309  
Axis 0.32406701 0.87926512 -0.34910374  
Axis point 194.64647294 0.00000000 194.44894107  
Rotation angle (degrees) 149.37213517  
Shift along axis -93.41466188  
  
Position of 6h03.cif b (#2.28) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.66510631 0.70798516 0.23746706 247.65924340  
0.35227640 0.57786714 -0.73618674 -7.55488147  
-0.65843369 -0.40598841 -0.63374954 478.45407309  
Axis 0.32406701 0.87926512 -0.34910374  
Axis point 194.64647294 0.00000000 194.44894107  
Rotation angle (degrees) 149.37213517  
Shift along axis -93.41466188  
  
Position of 6h03.cif c (#2.29) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.66510631 0.70798516 0.23746706 247.65924340  
0.35227640 0.57786714 -0.73618674 -7.55488147  
-0.65843369 -0.40598841 -0.63374954 478.45407309  
Axis 0.32406701 0.87926512 -0.34910374  
Axis point 194.64647294 0.00000000 194.44894107  
Rotation angle (degrees) 149.37213517  
Shift along axis -93.41466188  
  
Position of 6h03.cif d (#2.30) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.66510631 0.70798516 0.23746706 247.65924340  
0.35227640 0.57786714 -0.73618674 -7.55488147  
-0.65843369 -0.40598841 -0.63374954 478.45407309  
Axis 0.32406701 0.87926512 -0.34910374  
Axis point 194.64647294 0.00000000 194.44894107  
Rotation angle (degrees) 149.37213517  
Shift along axis -93.41466188  
  
Position of 6h03.cif e (#2.31) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.66510631 0.70798516 0.23746706 247.65924340  
0.35227640 0.57786714 -0.73618674 -7.55488147  
-0.65843369 -0.40598841 -0.63374954 478.45407309  
Axis 0.32406701 0.87926512 -0.34910374  
Axis point 194.64647294 0.00000000 194.44894107  
Rotation angle (degrees) 149.37213517  
Shift along axis -93.41466188  
  
Fit molecules 6h03.cif A (#2.1), 6h03.cif B (#2.2), 6h03.cif C (#2.3),
6h03.cif D (#2.4), 6h03.cif E (#2.5), 6h03.cif F (#2.6), 6h03.cif G (#2.7),
6h03.cif H (#2.8), 6h03.cif I (#2.9), 6h03.cif P (#2.16), 6h03.cif Y (#2.25),
6h03.cif Z (#2.26), 6h03.cif a (#2.27), 6h03.cif b (#2.28), 6h03.cif c
(#2.29), 6h03.cif d (#2.30), 6h03.cif e (#2.31) to map
cryosparc_P1_J175_005_volume_map.mrc (#1) using 45914 atoms  
average map value = 0.3016, steps = 1020  
shifted from previous position = 93.8  
rotated from previous position = 41.2 degrees  
atoms outside contour = 11533, contour level = 0.15615  
  
Position of 6h03.cif A (#2.1) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.85812310 0.46349559 -0.22089947 355.53264815  
0.30975898 0.12422355 -0.94266531 96.53993354  
-0.40948030 -0.87734848 -0.25017102 505.93065324  
Axis 0.25927553 0.74857262 -0.61025833  
Axis point 178.69629595 0.00000000 275.72032981  
Rotation angle (degrees) 172.76378633  
Shift along axis -144.30032596  
  
Position of 6h03.cif B (#2.2) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.85812310 0.46349559 -0.22089947 355.53264815  
0.30975898 0.12422355 -0.94266531 96.53993354  
-0.40948030 -0.87734848 -0.25017102 505.93065324  
Axis 0.25927553 0.74857262 -0.61025833  
Axis point 178.69629595 0.00000000 275.72032981  
Rotation angle (degrees) 172.76378633  
Shift along axis -144.30032596  
  
Position of 6h03.cif C (#2.3) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.85812310 0.46349559 -0.22089947 355.53264815  
0.30975898 0.12422355 -0.94266531 96.53993354  
-0.40948030 -0.87734848 -0.25017102 505.93065324  
Axis 0.25927553 0.74857262 -0.61025833  
Axis point 178.69629595 0.00000000 275.72032981  
Rotation angle (degrees) 172.76378633  
Shift along axis -144.30032596  
  
Position of 6h03.cif D (#2.4) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.85812310 0.46349559 -0.22089947 355.53264815  
0.30975898 0.12422355 -0.94266531 96.53993354  
-0.40948030 -0.87734848 -0.25017102 505.93065324  
Axis 0.25927553 0.74857262 -0.61025833  
Axis point 178.69629595 0.00000000 275.72032981  
Rotation angle (degrees) 172.76378633  
Shift along axis -144.30032596  
  
Position of 6h03.cif E (#2.5) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.85812310 0.46349559 -0.22089947 355.53264815  
0.30975898 0.12422355 -0.94266531 96.53993354  
-0.40948030 -0.87734848 -0.25017102 505.93065324  
Axis 0.25927553 0.74857262 -0.61025833  
Axis point 178.69629595 0.00000000 275.72032981  
Rotation angle (degrees) 172.76378633  
Shift along axis -144.30032596  
  
Position of 6h03.cif F (#2.6) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.85812310 0.46349559 -0.22089947 355.53264815  
0.30975898 0.12422355 -0.94266531 96.53993354  
-0.40948030 -0.87734848 -0.25017102 505.93065324  
Axis 0.25927553 0.74857262 -0.61025833  
Axis point 178.69629595 0.00000000 275.72032981  
Rotation angle (degrees) 172.76378633  
Shift along axis -144.30032596  
  
Position of 6h03.cif G (#2.7) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.85812310 0.46349559 -0.22089947 355.53264815  
0.30975898 0.12422355 -0.94266531 96.53993354  
-0.40948030 -0.87734848 -0.25017102 505.93065324  
Axis 0.25927553 0.74857262 -0.61025833  
Axis point 178.69629595 0.00000000 275.72032981  
Rotation angle (degrees) 172.76378633  
Shift along axis -144.30032596  
  
Position of 6h03.cif H (#2.8) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.85812310 0.46349559 -0.22089947 355.53264815  
0.30975898 0.12422355 -0.94266531 96.53993354  
-0.40948030 -0.87734848 -0.25017102 505.93065324  
Axis 0.25927553 0.74857262 -0.61025833  
Axis point 178.69629595 0.00000000 275.72032981  
Rotation angle (degrees) 172.76378633  
Shift along axis -144.30032596  
  
Position of 6h03.cif I (#2.9) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.85812310 0.46349559 -0.22089947 355.53264815  
0.30975898 0.12422355 -0.94266531 96.53993354  
-0.40948030 -0.87734848 -0.25017102 505.93065324  
Axis 0.25927553 0.74857262 -0.61025833  
Axis point 178.69629595 0.00000000 275.72032981  
Rotation angle (degrees) 172.76378633  
Shift along axis -144.30032596  
  
Position of 6h03.cif P (#2.16) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.85812310 0.46349559 -0.22089947 355.53264815  
0.30975898 0.12422355 -0.94266531 96.53993354  
-0.40948030 -0.87734848 -0.25017102 505.93065324  
Axis 0.25927553 0.74857262 -0.61025833  
Axis point 178.69629595 0.00000000 275.72032981  
Rotation angle (degrees) 172.76378633  
Shift along axis -144.30032596  
  
Position of 6h03.cif Y (#2.25) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.85812310 0.46349559 -0.22089947 355.53264815  
0.30975898 0.12422355 -0.94266531 96.53993354  
-0.40948030 -0.87734848 -0.25017102 505.93065324  
Axis 0.25927553 0.74857262 -0.61025833  
Axis point 178.69629595 0.00000000 275.72032981  
Rotation angle (degrees) 172.76378633  
Shift along axis -144.30032596  
  
Position of 6h03.cif Z (#2.26) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.85812310 0.46349559 -0.22089947 355.53264815  
0.30975898 0.12422355 -0.94266531 96.53993354  
-0.40948030 -0.87734848 -0.25017102 505.93065324  
Axis 0.25927553 0.74857262 -0.61025833  
Axis point 178.69629595 0.00000000 275.72032981  
Rotation angle (degrees) 172.76378633  
Shift along axis -144.30032596  
  
Position of 6h03.cif a (#2.27) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.85812310 0.46349559 -0.22089947 355.53264815  
0.30975898 0.12422355 -0.94266531 96.53993354  
-0.40948030 -0.87734848 -0.25017102 505.93065324  
Axis 0.25927553 0.74857262 -0.61025833  
Axis point 178.69629595 0.00000000 275.72032981  
Rotation angle (degrees) 172.76378633  
Shift along axis -144.30032596  
  
Position of 6h03.cif b (#2.28) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.85812310 0.46349559 -0.22089947 355.53264815  
0.30975898 0.12422355 -0.94266531 96.53993354  
-0.40948030 -0.87734848 -0.25017102 505.93065324  
Axis 0.25927553 0.74857262 -0.61025833  
Axis point 178.69629595 0.00000000 275.72032981  
Rotation angle (degrees) 172.76378633  
Shift along axis -144.30032596  
  
Position of 6h03.cif c (#2.29) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.85812310 0.46349559 -0.22089947 355.53264815  
0.30975898 0.12422355 -0.94266531 96.53993354  
-0.40948030 -0.87734848 -0.25017102 505.93065324  
Axis 0.25927553 0.74857262 -0.61025833  
Axis point 178.69629595 0.00000000 275.72032981  
Rotation angle (degrees) 172.76378633  
Shift along axis -144.30032596  
  
Position of 6h03.cif d (#2.30) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.85812310 0.46349559 -0.22089947 355.53264815  
0.30975898 0.12422355 -0.94266531 96.53993354  
-0.40948030 -0.87734848 -0.25017102 505.93065324  
Axis 0.25927553 0.74857262 -0.61025833  
Axis point 178.69629595 0.00000000 275.72032981  
Rotation angle (degrees) 172.76378633  
Shift along axis -144.30032596  
  
Position of 6h03.cif e (#2.31) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.85812310 0.46349559 -0.22089947 355.53264815  
0.30975898 0.12422355 -0.94266531 96.53993354  
-0.40948030 -0.87734848 -0.25017102 505.93065324  
Axis 0.25927553 0.74857262 -0.61025833  
Axis point 178.69629595 0.00000000 275.72032981  
Rotation angle (degrees) 172.76378633  
Shift along axis -144.30032596  
  

> cofr showPivot true

Fit molecules 6h03.cif A (#2.1), 6h03.cif B (#2.2), 6h03.cif C (#2.3),
6h03.cif D (#2.4), 6h03.cif E (#2.5), 6h03.cif F (#2.6), 6h03.cif G (#2.7),
6h03.cif H (#2.8), 6h03.cif I (#2.9), 6h03.cif P (#2.16), 6h03.cif Y (#2.25),
6h03.cif Z (#2.26), 6h03.cif a (#2.27), 6h03.cif b (#2.28), 6h03.cif c
(#2.29), 6h03.cif d (#2.30), 6h03.cif e (#2.31) to map
cryosparc_P1_J175_005_volume_map.mrc (#1) using 45914 atoms  
average map value = 0.3016, steps = 1208  
shifted from previous position = 83.9  
rotated from previous position = 64.5 degrees  
atoms outside contour = 11526, contour level = 0.15615  
  
Position of 6h03.cif A (#2.1) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.98068513 -0.00179130 0.19558492 410.90562194  
-0.15044123 -0.63212862 -0.76011897 364.30311053  
0.12499643 -0.77486141 0.61964965 381.79313994  
Axis -0.08923041 0.42724544 -0.89972177  
Axis point 197.10275763 263.81404578 0.00000000  
Rotation angle (degrees) 175.26146287  
Shift along axis -224.52603098  
  
Position of 6h03.cif B (#2.2) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.98068513 -0.00179130 0.19558492 410.90562194  
-0.15044123 -0.63212862 -0.76011897 364.30311053  
0.12499643 -0.77486141 0.61964965 381.79313994  
Axis -0.08923041 0.42724544 -0.89972177  
Axis point 197.10275763 263.81404578 0.00000000  
Rotation angle (degrees) 175.26146287  
Shift along axis -224.52603098  
  
Position of 6h03.cif C (#2.3) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.98068513 -0.00179130 0.19558492 410.90562194  
-0.15044123 -0.63212862 -0.76011897 364.30311053  
0.12499643 -0.77486141 0.61964965 381.79313994  
Axis -0.08923041 0.42724544 -0.89972177  
Axis point 197.10275763 263.81404578 0.00000000  
Rotation angle (degrees) 175.26146287  
Shift along axis -224.52603098  
  
Position of 6h03.cif D (#2.4) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.98068513 -0.00179130 0.19558492 410.90562194  
-0.15044123 -0.63212862 -0.76011897 364.30311053  
0.12499643 -0.77486141 0.61964965 381.79313994  
Axis -0.08923041 0.42724544 -0.89972177  
Axis point 197.10275763 263.81404578 0.00000000  
Rotation angle (degrees) 175.26146287  
Shift along axis -224.52603098  
  
Position of 6h03.cif E (#2.5) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.98068513 -0.00179130 0.19558492 410.90562194  
-0.15044123 -0.63212862 -0.76011897 364.30311053  
0.12499643 -0.77486141 0.61964965 381.79313994  
Axis -0.08923041 0.42724544 -0.89972177  
Axis point 197.10275763 263.81404578 0.00000000  
Rotation angle (degrees) 175.26146287  
Shift along axis -224.52603098  
  
Position of 6h03.cif F (#2.6) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.98068513 -0.00179130 0.19558492 410.90562194  
-0.15044123 -0.63212862 -0.76011897 364.30311053  
0.12499643 -0.77486141 0.61964965 381.79313994  
Axis -0.08923041 0.42724544 -0.89972177  
Axis point 197.10275763 263.81404578 0.00000000  
Rotation angle (degrees) 175.26146287  
Shift along axis -224.52603098  
  
Position of 6h03.cif G (#2.7) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.98068513 -0.00179130 0.19558492 410.90562194  
-0.15044123 -0.63212862 -0.76011897 364.30311053  
0.12499643 -0.77486141 0.61964965 381.79313994  
Axis -0.08923041 0.42724544 -0.89972177  
Axis point 197.10275763 263.81404578 0.00000000  
Rotation angle (degrees) 175.26146287  
Shift along axis -224.52603098  
  
Position of 6h03.cif H (#2.8) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.98068513 -0.00179130 0.19558492 410.90562194  
-0.15044123 -0.63212862 -0.76011897 364.30311053  
0.12499643 -0.77486141 0.61964965 381.79313994  
Axis -0.08923041 0.42724544 -0.89972177  
Axis point 197.10275763 263.81404578 0.00000000  
Rotation angle (degrees) 175.26146287  
Shift along axis -224.52603098  
  
Position of 6h03.cif I (#2.9) relative to cryosparc_P1_J175_005_volume_map.mrc
(#1) coordinates:  
Matrix rotation and translation  
-0.98068513 -0.00179130 0.19558492 410.90562194  
-0.15044123 -0.63212862 -0.76011897 364.30311053  
0.12499643 -0.77486141 0.61964965 381.79313994  
Axis -0.08923041 0.42724544 -0.89972177  
Axis point 197.10275763 263.81404578 0.00000000  
Rotation angle (degrees) 175.26146287  
Shift along axis -224.52603098  
  
Position of 6h03.cif P (#2.16) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.98068513 -0.00179130 0.19558492 410.90562194  
-0.15044123 -0.63212862 -0.76011897 364.30311053  
0.12499643 -0.77486141 0.61964965 381.79313994  
Axis -0.08923041 0.42724544 -0.89972177  
Axis point 197.10275763 263.81404578 0.00000000  
Rotation angle (degrees) 175.26146287  
Shift along axis -224.52603098  
  
Position of 6h03.cif Y (#2.25) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.98068513 -0.00179130 0.19558492 410.90562194  
-0.15044123 -0.63212862 -0.76011897 364.30311053  
0.12499643 -0.77486141 0.61964965 381.79313994  
Axis -0.08923041 0.42724544 -0.89972177  
Axis point 197.10275763 263.81404578 0.00000000  
Rotation angle (degrees) 175.26146287  
Shift along axis -224.52603098  
  
Position of 6h03.cif Z (#2.26) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.98068513 -0.00179130 0.19558492 410.90562194  
-0.15044123 -0.63212862 -0.76011897 364.30311053  
0.12499643 -0.77486141 0.61964965 381.79313994  
Axis -0.08923041 0.42724544 -0.89972177  
Axis point 197.10275763 263.81404578 0.00000000  
Rotation angle (degrees) 175.26146287  
Shift along axis -224.52603098  
  
Position of 6h03.cif a (#2.27) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.98068513 -0.00179130 0.19558492 410.90562194  
-0.15044123 -0.63212862 -0.76011897 364.30311053  
0.12499643 -0.77486141 0.61964965 381.79313994  
Axis -0.08923041 0.42724544 -0.89972177  
Axis point 197.10275763 263.81404578 0.00000000  
Rotation angle (degrees) 175.26146287  
Shift along axis -224.52603098  
  
Position of 6h03.cif b (#2.28) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.98068513 -0.00179130 0.19558492 410.90562194  
-0.15044123 -0.63212862 -0.76011897 364.30311053  
0.12499643 -0.77486141 0.61964965 381.79313994  
Axis -0.08923041 0.42724544 -0.89972177  
Axis point 197.10275763 263.81404578 0.00000000  
Rotation angle (degrees) 175.26146287  
Shift along axis -224.52603098  
  
Position of 6h03.cif c (#2.29) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.98068513 -0.00179130 0.19558492 410.90562194  
-0.15044123 -0.63212862 -0.76011897 364.30311053  
0.12499643 -0.77486141 0.61964965 381.79313994  
Axis -0.08923041 0.42724544 -0.89972177  
Axis point 197.10275763 263.81404578 0.00000000  
Rotation angle (degrees) 175.26146287  
Shift along axis -224.52603098  
  
Position of 6h03.cif d (#2.30) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.98068513 -0.00179130 0.19558492 410.90562194  
-0.15044123 -0.63212862 -0.76011897 364.30311053  
0.12499643 -0.77486141 0.61964965 381.79313994  
Axis -0.08923041 0.42724544 -0.89972177  
Axis point 197.10275763 263.81404578 0.00000000  
Rotation angle (degrees) 175.26146287  
Shift along axis -224.52603098  
  
Position of 6h03.cif e (#2.31) relative to
cryosparc_P1_J175_005_volume_map.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.98068513 -0.00179130 0.19558492 410.90562194  
-0.15044123 -0.63212862 -0.76011897 364.30311053  
0.12499643 -0.77486141 0.61964965 381.79313994  
Axis -0.08923041 0.42724544 -0.89972177  
Axis point 197.10275763 263.81404578 0.00000000  
Rotation angle (degrees) 175.26146287  
Shift along axis -224.52603098  
  
Fit map map 4 in map cryosparc_P1_J175_005_volume_map.mrc using 294474 points  
correlation = 0.003691, correlation about mean = 0.007943, overlap = 0.09951  
steps = 2000, shift = 26.9, angle = 19.3 degrees  
  
Position of map 4 (#3) relative to cryosparc_P1_J175_005_volume_map.mrc (#1)
coordinates:  
Matrix rotation and translation  
-0.87461839 -0.18286157 0.44900370 399.56424633  
-0.21218085 -0.68835387 -0.69364850 383.40783049  
0.43591509 -0.70194772 0.56324723 369.11367936  
Axis -0.25025261 0.39467079 -0.88408631  
Axis point 149.84765320 272.54220217 0.00000000  
Rotation angle (degrees) 179.04989562  
Shift along axis -275.00047529  
  
Average map value = -0.0001 for 1636 atoms, 45914 outside contour  

> show #!3 models

> hide #!3 models

> select #3

2 models selected  

> close

> open "/Users/james/Desktop/Project 1/Coot/CD59/6h03.cif" format mmcif

6h03.cif title:  
Open conformation of the membrane attack complex [more info...]  
  
Chain information for 6h03.cif #1  
---  
Chain | Description  
A | Complement C5,Complement C5  
B | Complement component C6  
C | Complement component C8 β chain  
D | Complement component C7  
E | Complement component C8 γ chain  
F | Complement component C8 α chain  
G H I J K L M N O P Q R S T U V W X | Complement component C9  
  
Non-standard residues in 6h03.cif #1  
---  
BMA — beta-D-mannopyranose (beta-D-mannose; D-mannose; mannose)  
NAG — 2-acetamido-2-deoxy-beta-D-glucopyranose (N-acetyl-beta-D-glucosamine;
2-acetamido-2-deoxy-beta-D-glucose; 2-acetamido-2-deoxy-D-glucose;
2-acetamido-2-deoxy-glucose; N-ACETYL-D-GLUCOSAMINE)  
  

> open "/Users/james/Desktop/Project
> 1/J175/cryosparc_P1_J175_005_volume_map.mrc"

Opened cryosparc_P1_J175_005_volume_map.mrc, grid size 512,512,512, pixel
0.829, shown at level 0.156, step 2, values float32  

> select /X

4005 atoms, 4095 bonds, 1 pseudobond, 503 residues, 2 models selected  

> delete atoms (#!1 & sel)

> delete bonds (#!1 & sel)

> select /W

3969 atoms, 4058 bonds, 1 pseudobond, 503 residues, 2 models selected  

> delete atoms (#!1 & sel)

> delete bonds (#!1 & sel)

> select /V

3979 atoms, 4069 bonds, 1 pseudobond, 503 residues, 2 models selected  

> delete atoms (#!1 & sel)

> delete bonds (#!1 & sel)

> select /U

4005 atoms, 4095 bonds, 1 pseudobond, 503 residues, 2 models selected  

> delete atoms (#!1 & sel)

> delete bonds (#!1 & sel)

> select /T

4005 atoms, 4095 bonds, 1 pseudobond, 503 residues, 2 models selected  

> delete atoms (#!1 & sel)

> delete bonds (#!1 & sel)

> select /S

4005 atoms, 4095 bonds, 1 pseudobond, 503 residues, 2 models selected  

> delete atoms (#!1 & sel)

> delete bonds (#!1 & sel)

> select /R

4005 atoms, 4095 bonds, 1 pseudobond, 503 residues, 2 models selected  

> delete atoms (#!1 & sel)

> delete bonds (#!1 & sel)

> select /Q

4005 atoms, 4095 bonds, 1 pseudobond, 503 residues, 2 models selected  

> delete atoms (#!1 & sel)

> delete bonds (#!1 & sel)

Fit molecule 6h03.cif (#1) to map cryosparc_P1_J175_005_volume_map.mrc (#2)
using 70332 atoms  
average map value = 0.04771, steps = 464  
shifted from previous position = 59.6  
rotated from previous position = 15.8 degrees  
atoms outside contour = 62516, contour level = 0.15615  
  
Position of 6h03.cif (#1) relative to cryosparc_P1_J175_005_volume_map.mrc
(#2) coordinates:  
Matrix rotation and translation  
0.96216823 0.27093759 -0.02872491 -96.00527430  
-0.27093498 0.96258910 0.00405705 42.10580327  
0.02874949 0.00387902 0.99957912 -26.81630960  
Axis -0.00032672 -0.10547461 -0.99442194  
Axis point 112.97126508 370.09226609 0.00000000  
Rotation angle (degrees) 15.81046905  
Shift along axis 22.25700022  
  

> ui mousemode right "rotate selected models"

> select #1

70332 atoms, 71985 bonds, 33 pseudobonds, 8833 residues, 2 models selected  

> ~select #1

Nothing selected  

> select /P

4005 atoms, 4094 bonds, 1 pseudobond, 503 residues, 2 models selected  

> select /O

4005 atoms, 4095 bonds, 1 pseudobond, 503 residues, 2 models selected  

> delete atoms (#!1 & sel)

> delete bonds (#!1 & sel)

> select /N

4001 atoms, 4091 bonds, 1 pseudobond, 503 residues, 2 models selected  

> delete atoms (#!1 & sel)

> delete bonds (#!1 & sel)

> select /M

4005 atoms, 4095 bonds, 1 pseudobond, 503 residues, 2 models selected  

> delete atoms (#!1 & sel)

> delete bonds (#!1 & sel)

> select /L

4005 atoms, 4095 bonds, 1 pseudobond, 503 residues, 2 models selected  

> delete atoms (#!1 & sel)

> delete bonds (#!1 & sel)

> select /K

4005 atoms, 4095 bonds, 1 pseudobond, 503 residues, 2 models selected  

> delete atoms (#!1 & sel)

> delete bonds (#!1 & sel)

> select /J

4005 atoms, 4095 bonds, 1 pseudobond, 503 residues, 2 models selected  

> delete atoms (#!1 & sel)

> delete bonds (#!1 & sel)

> ui mousemode right select

> select clear

> select clear

> select clear

Drag select of 81 atoms, 86 bonds  

> select clear

Drag select of 196 atoms, 203 bonds  

> delete atoms sel

> delete bonds sel

Drag select of 84 atoms, 87 bonds  

> delete atoms sel

> delete bonds sel

> hide #!2 models

Drag select of 108 atoms, 113 bonds  

> select clear

Drag select of 84 atoms, 87 bonds  

> delete atoms sel

> delete bonds sel

> select clear

Drag select of 28 atoms, 29 bonds  

> delete atoms sel

> delete bonds sel

> show #!2 models

Fit molecule 6h03.cif (#1) to map cryosparc_P1_J175_005_volume_map.mrc (#2)
using 45914 atoms  
average map value = 0.09169, steps = 524  
shifted from previous position = 40.4  
rotated from previous position = 17.7 degrees  
atoms outside contour = 36485, contour level = 0.15615  
  
Position of 6h03.cif (#1) relative to cryosparc_P1_J175_005_volume_map.mrc
(#2) coordinates:  
Matrix rotation and translation  
0.44804128 0.89287963 0.04499970 -186.96676998  
-0.75333298 0.40416376 -0.51878808 431.36235625  
-0.48140256 0.19853872 0.85371773 95.60566610  
Axis 0.38333570 0.28130662 -0.87972742  
Axis point 289.82792468 373.77990992 0.00000000  
Rotation angle (degrees) 69.33144614  
Shift along axis -34.43287781  
  
Fit molecule 6h03.cif (#1) to map cryosparc_P1_J175_005_volume_map.mrc (#2)
using 45914 atoms  
average map value = 0.09169, steps = 80  
shifted from previous position = 0.0155  
rotated from previous position = 0.00661 degrees  
atoms outside contour = 36485, contour level = 0.15615  
  
Position of 6h03.cif (#1) relative to cryosparc_P1_J175_005_volume_map.mrc
(#2) coordinates:  
Matrix rotation and translation  
0.44796160 0.89291629 0.04506565 -186.96174209  
-0.75333414 0.40412045 -0.51882015 431.38432006  
-0.48147491 0.19846200 0.85369476 95.66360042  
Axis 0.38330056 0.28137225 -0.87972174  
Axis point 289.83503469 373.78735929 0.00000000  
Rotation angle (degrees) 69.33591507  
Shift along axis -34.44031273  
  

> select #2

2 models selected  

> ~select #2

Nothing selected  

> select #1

45914 atoms, 47007 bonds, 27 pseudobonds, 5787 residues, 2 models selected  

> ui mousemode right "translate selected models"

> ui mousemode right "rotate selected models"

Fit molecule 6h03.cif (#1) to map cryosparc_P1_J175_005_volume_map.mrc (#2)
using 45914 atoms  
average map value = 0.06729, steps = 372  
shifted from previous position = 26  
rotated from previous position = 14.6 degrees  
atoms outside contour = 38448, contour level = 0.15615  
  
Position of 6h03.cif (#1) relative to cryosparc_P1_J175_005_volume_map.mrc
(#2) coordinates:  
Matrix rotation and translation  
-0.96562010 0.17677571 0.19059951 355.81262316  
0.22240277 0.94138565 0.25363376 -191.72756605  
-0.13459136 0.28730371 -0.94833631 366.75697609  
Axis 0.10199992 0.98513474 0.13822284  
Axis point 203.89355087 0.00000000 181.38462660  
Rotation angle (degrees) 170.49992321  
Shift along axis -101.89043576  
  
Fit molecule 6h03.cif (#1) to map cryosparc_P1_J175_005_volume_map.mrc (#2)
using 45914 atoms  
average map value = 0.06729, steps = 48  
shifted from previous position = 3.15e-13  
rotated from previous position = 0.00709 degrees  
atoms outside contour = 38448, contour level = 0.15615  
  
Position of 6h03.cif (#1) relative to cryosparc_P1_J175_005_volume_map.mrc
(#2) coordinates:  
Matrix rotation and translation  
-0.96563487 0.17672198 0.19057452 355.83746123  
0.22235913 0.94136534 0.25374737 -191.73413575  
-0.13455750 0.28740329 -0.94831094 366.71365748  
Axis 0.10197533 0.98512959 0.13827770  
Axis point 203.89958569 0.00000000 181.37057712  
Rotation angle (degrees) 170.50160815  
Shift along axis -101.88800729  
  
Fit molecule 6h03.cif (#1) to map cryosparc_P1_J175_005_volume_map.mrc (#2)
using 45914 atoms  
average map value = 0.06729, steps = 36  
shifted from previous position = 0.0154  
rotated from previous position = 0.00882 degrees  
atoms outside contour = 38458, contour level = 0.15615  
  
Position of 6h03.cif (#1) relative to cryosparc_P1_J175_005_volume_map.mrc
(#2) coordinates:  
Matrix rotation and translation  
-0.96562201 0.17679955 0.19056776 355.80640498  
0.22241297 0.94139020 0.25360789 -191.72525717  
-0.13456086 0.28727410 -0.94834961 366.77477452  
Axis 0.10200823 0.98513595 0.13820812  
Axis point 203.88864021 0.00000000 181.39518375  
Rotation angle (degrees) 170.50177030  
Shift along axis -101.88900873  
  
Fit molecule 6h03.cif (#1) to map cryosparc_P1_J175_005_volume_map.mrc (#2)
using 45914 atoms  
average map value = 0.1809, steps = 532  
shifted from previous position = 40  
rotated from previous position = 31.8 degrees  
atoms outside contour = 24740, contour level = 0.15615  
  
Position of 6h03.cif (#1) relative to cryosparc_P1_J175_005_volume_map.mrc
(#2) coordinates:  
Matrix rotation and translation  
0.33318651 0.26398179 -0.90515213 231.04774413  
-0.37185116 -0.84540211 -0.38343448 628.95367901  
-0.86643723 0.46433707 -0.18351464 350.09240969  
Axis 0.79946472 -0.03650889 -0.59960258  
Axis point 0.00000000 262.10988645 374.24156765  
Rotation angle (degrees) 147.98022142  
Shift along axis -48.16419062  
  
Fit map 6h03.cif map 4 in map cryosparc_P1_J175_005_volume_map.mrc using
294280 points  
correlation = 0.6218, correlation about mean = 0.04712, overlap = 2.179e+04  
steps = 64, shift = 0.426, angle = 1 degrees  
  
Position of 6h03.cif map 4 (#3) relative to
cryosparc_P1_J175_005_volume_map.mrc (#2) coordinates:  
Matrix rotation and translation  
0.31763249 0.26058356 -0.91170490 237.51451349  
-0.37303118 -0.84962710 -0.37280229 628.23402004  
-0.87175533 0.45850847 -0.17266338 351.29999116  
Axis 0.79474301 -0.03819227 -0.60574326  
Axis point 0.00000000 262.58831352 377.43666426  
Rotation angle (degrees) 148.46589366  
Shift along axis -48.02828265  
  
Average map value = 0.1805 for 45914 atoms, 24538 outside contour  

> show #!3 models

> hide #!2 models

> ~select #1

Nothing selected  

> show #!2 models

> hide #!1 models

> ui mousemode right "translate selected models"

> hide #!3 models

> select #1

45914 atoms, 47007 bonds, 27 pseudobonds, 5787 residues, 2 models selected  

> ~select #1

Nothing selected  

> show #!1 models

> select #1

45914 atoms, 47007 bonds, 27 pseudobonds, 5787 residues, 2 models selected  

> undo

Fit map 6h03.cif map 4 in map cryosparc_P1_J175_005_volume_map.mrc using
294280 points  
correlation = 0.6218, correlation about mean = 0.04708, overlap = 2.179e+04  
steps = 28, shift = 0.00939, angle = 0.0109 degrees  
  
Position of 6h03.cif map 4 (#3) relative to
cryosparc_P1_J175_005_volume_map.mrc (#2) coordinates:  
Matrix rotation and translation  
0.31757301 0.26069935 -0.91169252 237.49765574  
-0.37288520 -0.84966931 -0.37285213 628.21188177  
-0.87183945 0.45836441 -0.17262111 351.35505022  
Axis 0.79472653 -0.03810354 -0.60577048  
Axis point 0.00000000 262.55957447 377.45073335  
Rotation angle (degrees) 148.46914904  
Shift along axis -48.03192261  
  
Average map value = 0.1805 for 45914 atoms, 24544 outside contour  
Fit map 6h03.cif map 4 in map cryosparc_P1_J175_005_volume_map.mrc using
294280 points  
correlation = 0.6345, correlation about mean = 0.04018, overlap = 2.213e+04  
steps = 168, shift = 6.23, angle = 6.95 degrees  
  
Position of 6h03.cif map 4 (#3) relative to
cryosparc_P1_J175_005_volume_map.mrc (#2) coordinates:  
Matrix rotation and translation  
0.20871713 0.22666813 -0.95134575 289.20278474  
-0.38502045 -0.87516703 -0.29298794 621.87081854  
-0.89899746 0.42743917 -0.09539048 353.59395682  
Axis 0.76112467 -0.05530549 -0.64624341  
Axis point 0.00000000 267.56661697 401.97108856  
Rotation angle (degrees) 151.75356521  
Shift along axis -42.78126099  
  
Average map value = 0.1832 for 45914 atoms, 23477 outside contour  
Fit map 6h03.cif map 4 in map cryosparc_P1_J175_005_volume_map.mrc using
294280 points  
correlation = 0.7826, correlation about mean = 0.2817, overlap = 3.394e+04  
steps = 272, shift = 5.08, angle = 16.6 degrees  
  
Position of 6h03.cif map 4 (#3) relative to
cryosparc_P1_J175_005_volume_map.mrc (#2) coordinates:  
Matrix rotation and translation  
-0.03256380 0.08163171 -0.99613045 400.67771096  
-0.36158074 -0.93011388 -0.06440154 576.97805982  
-0.93177196 0.35808442 0.05980450 335.69761045  
Axis 0.68619961 -0.10453074 -0.71986347  
Axis point 423.24912310 218.18119241 -0.00000000  
Rotation angle (degrees) 162.07060411  
Shift along axis -27.02350235  
  
Average map value = 0.3016 for 45914 atoms, 11522 outside contour  

> ui mousemode right "translate selected models"

> ui mousemode right translate

> ~select #1

Nothing selected  

> save "/Users/james/Desktop/Project 1/J175/partial-model-in-map.cxs"

> lighting soft

> show #!3 models

> hide #!1 models

> volume #2 level 0.1646

> show #!1 models

> hide #!3 models

Fit map 6h03.cif map 4 in map cryosparc_P1_J175_005_volume_map.mrc using
294280 points  
correlation = 0.7826, correlation about mean = 0.2817, overlap = 3.394e+04  
steps = 40, shift = 0.00518, angle = 0.0025 degrees  
  
Position of 6h03.cif map 4 (#3) relative to
cryosparc_P1_J175_005_volume_map.mrc (#2) coordinates:  
Matrix rotation and translation  
-0.03257992 0.08160181 -0.99613237 400.68947876  
-0.36155418 -0.93012642 -0.06436954 576.97330647  
-0.93178170 0.35805867 0.05980692 335.70690677  
Axis 0.68619618 -0.10453181 -0.71986658  
Axis point 423.24842966 218.18318788 0.00000000  
Rotation angle (degrees) 162.07304572  
Shift along axis -27.02465723  
  
Average map value = 0.3016 for 45914 atoms, 12458 outside contour  

> hide #!1 models

> show #!3 models

> volume #3 level 0.1073

> volume #2 level 0.1667

> select /P

4005 atoms, 4094 bonds, 1 pseudobond, 503 residues, 2 models selected  

> hide #!2 models

> hide #!3 models

> show #!2 models

> show #!1 models

> select /I

4005 atoms, 4095 bonds, 1 pseudobond, 503 residues, 2 models selected  

> delete atoms (#!1 & sel)

> delete bonds (#!1 & sel)

> ui mousemode right select

> select clear

Drag select of 25 atoms, 26 bonds  
Drag select of 28 atoms, 29 bonds  

> select clear

Drag select of 28 atoms, 29 bonds  

> delete atoms sel

> delete bonds sel

Fit map 6h03.cif map 4 in map cryosparc_P1_J175_005_volume_map.mrc using
268502 points  
correlation = 0.8003, correlation about mean = 0.3097, overlap = 3.294e+04  
steps = 40, shift = 0.0222, angle = 0.0296 degrees  
  
Position of 6h03.cif map 4 (#3) relative to
cryosparc_P1_J175_005_volume_map.mrc (#2) coordinates:  
Matrix rotation and translation  
-0.03298549 0.08190388 -0.99609423 400.67162530  
-0.36165280 -0.93007906 -0.06449970 577.00065964  
-0.93172916 0.35811271 0.06029988 335.57200552  
Axis 0.68603141 -0.10448454 -0.72003047  
Axis point 423.13379857 218.20259386 0.00000000  
Rotation angle (degrees) 162.06050870  
Shift along axis -27.03639618  
  
Average map value = 0.3217 for 41881 atoms, 9128 outside contour  

> ui mousemode right translate

> save "/Users/james/Desktop/Project 1/J175/partial-model-in-map.cxs"
> includeMaps true

opened ChimeraX session  

> hide #!2 models

> lighting simple

> select #1

41881 atoms, 42882 bonds, 26 pseudobonds, 5282 residues, 2 models selected  

> mlp sel

Map values for surface "6h03.cif_A SES surface": minimum -28.11, mean -3.747,
maximum 24.67  
Map values for surface "6h03.cif_C SES surface": minimum -28.74, mean -4.326,
maximum 24.61  
Map values for surface "6h03.cif_D SES surface": minimum -27.43, mean -4.791,
maximum 22.6  
Map values for surface "6h03.cif_E SES surface": minimum -27.62, mean -3.69,
maximum 22.4  
Map values for surface "6h03.cif_F SES surface": minimum -28.89, mean -5.11,
maximum 24.13  
Map values for surface "6h03.cif_B SES surface": minimum -27.91, mean -4.931,
maximum 23.95  
Map values for surface "6h03.cif_G SES surface": minimum -27.86, mean -4.393,
maximum 24.07  
Map values for surface "6h03.cif_P SES surface": minimum -28.65, mean -4.492,
maximum 25.29  
Map values for surface "6h03.cif_H SES surface": minimum -28.11, mean -4.503,
maximum 28.12  

> show #!2 models

> ~select #1

9 models selected  

> hide #!2 models

> show #!2 models

> lighting soft

> hide #!2 models

> hide #1.10 models

> show #1.10 models

> hide #1.9 models

> show #1.9 models

> hide #!1 models

> show #!1 models

> hide #1.2 models

> show #1.2 models

> hide #1 target a

> hide #1.10 models

> show #1.10 models

> hide #1.10 models

> hide #1.9 models

> hide #1.8 models

> show #1.9 models

> hide #1.9 models

> show #1.8 models

> hide #1.8 models

> hide #1.7 models

> show #1.7 models

> hide #1.6 models

> show #1.6 models

> hide #1.6 models

> show #1.6 models

> hide #1.5 models

> show #1.5 models

> hide #1.5 models

> show #1.5 models

> show #1.8 models

> hide #1.8 models

> show #1.8 models

> show #1.9 models

> show #1.10 models

> hide #1.10 models

> hide #1.9 models

> hide #1.8 models

> show #1.8 models

> show #1.9 models

> show #1.10 models

> set bgColor white

> save /Users/james/Desktop/image16.png supersample 3

> save /Users/james/Desktop/image17.png supersample 3

> hide #1.10 models

> hide #1.9 models

> hide #1.8 models

> show #1.8 models

> hide #1.2 models

> hide #1.3 models

> hide #1.4 models

> hide #1.5 models

> hide #1.6 models

> hide #1.1 models

> show #1.1 models

> hide #1.7 models

> show #1.7 models

> hide #1.7 models

> show #1.6 models

> graphics silhouettes true

> graphics silhouettes false

> lighting shadows true intensity 0.5

> lighting shadows false

> lighting soft

> lighting flat

> graphics silhouettes false

> lighting flat

> lighting flat

> lighting flat

> lighting shadows true intensity 0.5

> lighting flat

> lighting shadows true intensity 0.5

> graphics silhouettes false

> lighting full

> lighting simple

> lighting soft

> hide #1.6 models

> show #1.7 models

> hide #1.7 models

> show #1.6 models

> color bfactor

41881 atoms, 5282 residues, 9 surfaces, atom bfactor range 0 to 366  

> rainbow

> coulombic

The following heavy (non-hydrogen) atoms are missing, which may result in
inaccurate electrostatics: /D VAL 346 CG2, /D VAL 346 CG1, /B GLU 629 OE2, /B
GLU 629 CG, /B GLU 629 OE1, and 68 other atoms  

/C GLY 208 HN  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.1.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/toolbar/tool.py", line 202, in callback  
bundle_info.run_provider(session, name, session.toolbar,
display_name=display_name)  
File
"/Applications/ChimeraX-1.1.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/core/toolshed/info.py", line 363, in run_provider  
return api._api_caller.run_provider(api, session, name, mgr, **kw)  
File
"/Applications/ChimeraX-1.1.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/core/toolshed/__init__.py", line 1273, in run_provider  
return cls._get_func(api, "run_provider")(session, name, mgr, **kw)  
File
"/Applications/ChimeraX-1.1.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/shortcuts/__init__.py", line 52, in run_provider  
shortcuts.run_provider(session, name)  
File
"/Applications/ChimeraX-1.1.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/shortcuts/shortcuts.py", line 1221, in run_provider  
keyboard_shortcuts(session).try_shortcut(name)  
File
"/Applications/ChimeraX-1.1.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/shortcuts/shortcuts.py", line 376, in try_shortcut  
self.run_shortcut(keys)  
File
"/Applications/ChimeraX-1.1.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/shortcuts/shortcuts.py", line 394, in run_shortcut  
sc.run(self.session, status = self._enabled)  
File
"/Applications/ChimeraX-1.1.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/shortcuts/shortcuts.py", line 313, in run  
f(s)  
File
"/Applications/ChimeraX-1.1.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/shortcuts/shortcuts.py", line 537, in run_expanded_command  
run(session, cmd)  
File
"/Applications/ChimeraX-1.1.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/shortcuts/shortcuts.py", line 480, in run  
run_command(session, command, **kw)  
File
"/Applications/ChimeraX-1.1.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/core/commands/run.py", line 31, in run  
results = command.run(text, log=log)  
File
"/Applications/ChimeraX-1.1.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/core/commands/cli.py", line 2805, in run  
result = ci.function(session, **kw_args)  
File
"/Applications/ChimeraX-1.1.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/coulombic/cmd.py", line 97, in cmd_coulombic  
assign_charges(session, needs_assignment, his_scheme)  
File
"/Applications/ChimeraX-1.1.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/coulombic/coulombic.py", line 96, in assign_charges  
assign_residue_charges(charged_residues, his_scheme)  
File
"/Applications/ChimeraX-1.1.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/coulombic/coulombic.py", line 161, in assign_residue_charges  
a.charge = res_data[aname]  
KeyError: 'HN'  
  
KeyError: 'HN'  
  
File
"/Applications/ChimeraX-1.1.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/coulombic/coulombic.py", line 161, in assign_residue_charges  
a.charge = res_data[aname]  
  
See log for complete Python traceback.  
  




OpenGL version: 4.1 INTEL-16.1.7
OpenGL renderer: Intel(R) Iris(TM) Plus Graphics 655
OpenGL vendor: Intel Inc.Hardware:

    Hardware Overview:

      Model Name: MacBook Pro
      Model Identifier: MacBookPro15,2
      Processor Name: Quad-Core Intel Core i7
      Processor Speed: 2.7 GHz
      Number of Processors: 1
      Total Number of Cores: 4
      L2 Cache (per Core): 256 KB
      L3 Cache: 8 MB
      Hyper-Threading Technology: Enabled
      Memory: 16 GB
      System Firmware Version: 1554.60.15.0.0 (iBridge: 18.16.13030.0.0,0)

Software:

    System Software Overview:

      System Version: macOS 11.1 (20C69)
      Kernel Version: Darwin 20.2.0
      Time since boot: 10 days 22:00

Graphics/Displays:

    Intel Iris Plus Graphics 655:

      Chipset Model: Intel Iris Plus Graphics 655
      Type: GPU
      Bus: Built-In
      VRAM (Dynamic, Max): 1536 MB
      Vendor: Intel
      Device ID: 0x3ea5
      Revision ID: 0x0001
      Metal Family: Supported, Metal GPUFamily macOS 2
      Displays:
        LG HDR QHD:
          Resolution: 2560 x 1440 (QHD/WQHD - Wide Quad High Definition)
          UI Looks like: 2560 x 1440 @ 59.00Hz
          Framebuffer Depth: 30-Bit Color (ARGB2101010)
          Display Serial Number: 008NTMXNH891
          Main Display: Yes
          Mirror: Off
          Online: Yes
          Rotation: Supported
          Automatically Adjust Brightness: Yes
          Connection Type: Thunderbolt/DisplayPort

PyQt version: 5.12.3
Compiled Qt version: 5.12.4
Runtime Qt version: 5.12.9
Installed Packages:
    alabaster: 0.7.12
    appdirs: 1.4.4
    appnope: 0.1.0
    Babel: 2.8.0
    backcall: 0.2.0
    blockdiag: 2.0.1
    certifi: 2020.6.20
    chardet: 3.0.4
    ChimeraX-AddH: 2.1.3
    ChimeraX-AlignmentAlgorithms: 2.0
    ChimeraX-AlignmentHdrs: 3.2
    ChimeraX-AlignmentMatrices: 2.0
    ChimeraX-Alignments: 2.1
    ChimeraX-Arrays: 1.0
    ChimeraX-Atomic: 1.6.1
    ChimeraX-AtomSearch: 2.0
    ChimeraX-AxesPlanes: 2.0
    ChimeraX-BasicActions: 1.1
    ChimeraX-BILD: 1.0
    ChimeraX-BlastProtein: 1.0.1
    ChimeraX-BondRot: 2.0
    ChimeraX-BugReporter: 1.0
    ChimeraX-BuildStructure: 2.0
    ChimeraX-Bumps: 1.0
    ChimeraX-BundleBuilder: 1.0
    ChimeraX-ButtonPanel: 1.0
    ChimeraX-CageBuilder: 1.0
    ChimeraX-CellPack: 1.0
    ChimeraX-Centroids: 1.1
    ChimeraX-ChemGroup: 2.0
    ChimeraX-Clashes: 2.0
    ChimeraX-Clipper: 0.15.0
    ChimeraX-ColorActions: 1.0
    ChimeraX-ColorGlobe: 1.0
    ChimeraX-CommandLine: 1.1.3
    ChimeraX-ConnectStructure: 2.0
    ChimeraX-Contacts: 1.0
    ChimeraX-Core: 1.1.1
    ChimeraX-CoreFormats: 1.0
    ChimeraX-coulombic: 1.0.1
    ChimeraX-Crosslinks: 1.0
    ChimeraX-Crystal: 1.0
    ChimeraX-DataFormats: 1.0
    ChimeraX-Dicom: 1.0
    ChimeraX-DistMonitor: 1.1
    ChimeraX-DistUI: 1.0
    ChimeraX-Dssp: 2.0
    ChimeraX-EMDB-SFF: 1.0
    ChimeraX-ExperimentalCommands: 1.0
    ChimeraX-FileHistory: 1.0
    ChimeraX-FunctionKey: 1.0
    ChimeraX-Geometry: 1.1
    ChimeraX-gltf: 1.0
    ChimeraX-Graphics: 1.0
    ChimeraX-Hbonds: 2.0
    ChimeraX-Help: 1.0
    ChimeraX-HKCage: 1.3
    ChimeraX-IHM: 1.0
    ChimeraX-ImageFormats: 1.0
    ChimeraX-IMOD: 1.0
    ChimeraX-IO: 1.0
    ChimeraX-ISOLDE: 1.1.0
    ChimeraX-Label: 1.0
    ChimeraX-ListInfo: 1.0
    ChimeraX-Log: 1.1.1
    ChimeraX-LookingGlass: 1.1
    ChimeraX-Map: 1.0.1
    ChimeraX-MapData: 2.0
    ChimeraX-MapEraser: 1.0
    ChimeraX-MapFilter: 2.0
    ChimeraX-MapFit: 2.0
    ChimeraX-MapSeries: 2.0
    ChimeraX-Markers: 1.0
    ChimeraX-Mask: 1.0
    ChimeraX-MatchMaker: 1.1
    ChimeraX-MDcrds: 2.0
    ChimeraX-MedicalToolbar: 1.0.1
    ChimeraX-Meeting: 1.0
    ChimeraX-MLP: 1.0
    ChimeraX-mmCIF: 2.2
    ChimeraX-MMTF: 2.0
    ChimeraX-Modeller: 1.0
    ChimeraX-ModelPanel: 1.0
    ChimeraX-ModelSeries: 1.0
    ChimeraX-Mol2: 2.0
    ChimeraX-Morph: 1.0
    ChimeraX-MouseModes: 1.0
    ChimeraX-Movie: 1.0
    ChimeraX-Neuron: 1.0
    ChimeraX-Nucleotides: 2.0
    ChimeraX-OpenCommand: 1.2.1
    ChimeraX-PDB: 2.1
    ChimeraX-PDBBio: 1.0
    ChimeraX-PickBlobs: 1.0
    ChimeraX-Positions: 1.0
    ChimeraX-PresetMgr: 1.0
    ChimeraX-PubChem: 2.0
    ChimeraX-Read-Pbonds: 1.0
    ChimeraX-Registration: 1.1
    ChimeraX-RemoteControl: 1.0
    ChimeraX-ResidueFit: 1.0
    ChimeraX-RestServer: 1.0
    ChimeraX-RNALayout: 1.0
    ChimeraX-RotamerLibMgr: 2.0
    ChimeraX-RotamerLibsDunbrack: 2.0
    ChimeraX-RotamerLibsDynameomics: 2.0
    ChimeraX-RotamerLibsRichardson: 2.0
    ChimeraX-SaveCommand: 1.2
    ChimeraX-SchemeMgr: 1.0
    ChimeraX-SDF: 2.0
    ChimeraX-Segger: 1.0
    ChimeraX-Segment: 1.0
    ChimeraX-SeqView: 2.2
    ChimeraX-Shape: 1.0.1
    ChimeraX-Shell: 1.0
    ChimeraX-Shortcuts: 1.0
    ChimeraX-ShowAttr: 1.0
    ChimeraX-ShowSequences: 1.0
    ChimeraX-SideView: 1.0
    ChimeraX-Smiles: 2.0
    ChimeraX-SmoothLines: 1.0
    ChimeraX-SpaceNavigator: 1.0
    ChimeraX-StdCommands: 1.0.4
    ChimeraX-STL: 1.0
    ChimeraX-Storm: 1.0
    ChimeraX-Struts: 1.0
    ChimeraX-Surface: 1.0
    ChimeraX-SwapAA: 2.0
    ChimeraX-SwapRes: 2.0
    ChimeraX-TapeMeasure: 1.0
    ChimeraX-Test: 1.0
    ChimeraX-Toolbar: 1.0
    ChimeraX-ToolshedUtils: 1.0
    ChimeraX-Tug: 1.0
    ChimeraX-UI: 1.2.3
    ChimeraX-uniprot: 2.0
    ChimeraX-ViewDockX: 1.0
    ChimeraX-Vive: 1.1
    ChimeraX-VolumeMenu: 1.0
    ChimeraX-VTK: 1.0
    ChimeraX-WavefrontOBJ: 1.0
    ChimeraX-WebCam: 1.0
    ChimeraX-WebServices: 1.0
    ChimeraX-Zone: 1.0
    colorama: 0.4.3
    comtypes: 1.1.7
    cxservices: 1.0
    cycler: 0.10.0
    Cython: 0.29.20
    decorator: 4.4.2
    distlib: 0.3.1
    docutils: 0.16
    filelock: 3.0.12
    funcparserlib: 0.3.6
    grako: 3.16.5
    h5py: 2.10.0
    html2text: 2020.1.16
    idna: 2.10
    ihm: 0.16
    imagecodecs: 2020.5.30
    imagecodecs-lite: 2020.1.31
    imagesize: 1.2.0
    ipykernel: 5.3.0
    ipython: 7.15.0
    ipython-genutils: 0.2.0
    jedi: 0.17.2
    Jinja2: 2.11.2
    jupyter-client: 6.1.3
    jupyter-core: 4.6.3
    kiwisolver: 1.2.0
    line-profiler: 2.1.2
    lxml: 4.5.1
    MarkupSafe: 1.1.1
    matplotlib: 3.2.1
    msgpack: 1.0.0
    netifaces: 0.10.9
    networkx: 2.4
    numexpr: 2.7.1
    numpy: 1.18.5
    numpydoc: 1.0.0
    openvr: 1.12.501
    packaging: 20.4
    parso: 0.7.1
    pexpect: 4.8.0
    pickleshare: 0.7.5
    Pillow: 7.1.2
    pip: 20.2.2
    pkginfo: 1.5.0.1
    prompt-toolkit: 3.0.7
    psutil: 5.7.0
    ptyprocess: 0.6.0
    pycollada: 0.7.1
    pydicom: 2.0.0
    Pygments: 2.6.1
    PyOpenGL: 3.1.5
    PyOpenGL-accelerate: 3.1.5
    pyparsing: 2.4.7
    PyQt5-commercial: 5.12.3
    PyQt5-sip: 4.19.19
    PyQtWebEngine-commercial: 5.12.1
    python-dateutil: 2.8.1
    pytz: 2020.1
    pyzmq: 19.0.2
    qtconsole: 4.7.4
    QtPy: 1.9.0
    RandomWords: 0.3.0
    requests: 2.24.0
    scipy: 1.4.1
    setuptools: 49.4.0
    sfftk-rw: 0.6.6.dev0
    six: 1.15.0
    snowballstemmer: 2.0.0
    sortedcontainers: 2.2.2
    Sphinx: 3.1.1
    sphinxcontrib-applehelp: 1.0.2
    sphinxcontrib-blockdiag: 2.0.0
    sphinxcontrib-devhelp: 1.0.2
    sphinxcontrib-htmlhelp: 1.0.3
    sphinxcontrib-jsmath: 1.0.1
    sphinxcontrib-qthelp: 1.0.3
    sphinxcontrib-serializinghtml: 1.1.4
    suds-jurko: 0.6
    tables: 3.6.1
    tifffile: 2020.6.3
    tinyarray: 1.2.2
    tornado: 6.0.4
    traitlets: 5.0.4
    urllib3: 1.25.10
    wcwidth: 0.2.5
    webcolors: 1.11.1
    wheel: 0.34.2

Change History (2)

comment:1 by Eric Pettersen, 5 years ago

Component:	Unassigned → Surface/Binding Analysis
Owner:	set to Eric Pettersen
Platform:	→ all
Project:	→ ChimeraX
Reporter:	changed from james.hooke17@… to james.hooker17@…
Status:	new → accepted
Summary:	ChimeraX bug report submission → Coulombic failure due to unexpected hydrogen name

comment:2 by Eric Pettersen, 5 years ago

Resolution:	→ duplicate
Status:	accepted → closed

Hi James,

The implicit hydrogen addition to the structure is producing non-standard hydrogen names (possibly due to residue truncation or modification [e.g. glycosylation]). The coulombic in ChimeraX 1.1 requires standard hydrogen names to work. The coulombic in the ChimeraX daily build does not require standard hydrogen names, so if you use that then you will be able to run coulombic on the 6H03 structure.

--Eric

Eric Pettersen
UCSF Computer Graphics Lab

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