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Merge pull request #196 from akohlmey/charmm-cmap-updates 

Some more cmap-related updates for ch2lmp
This commit is contained in:
sjplimp 2016-10-06 13:02:27 -06:00 committed by GitHub
parent 493873fb93 d7d321a512
commit 0f45cd61a5
17 changed files with 33929 additions and 11254 deletions
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61
tools/ch2lmp/README
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@ -8,7 +8,7 @@ lammps2pdb.pl you can convert LAMMPS atom dumps into pdb files.
In this directory, you should find:
1) A perl script called "charmm2lammps.pl"
2) A perl script called "lammps2pdb.pl"
3) An "example" folder containing an example of how to use these tools.
3) Two folders containing examples of how to use these tools.
4) An "other" folder containing other potentially useful tools.
In addition, you will need to provide the following input for
@ -24,11 +24,11 @@ To use the charmm2lammps.pl script, type: "perl charmm2lammps.pl
<forcefield> <project> [-option=value ...]" where <forcefield> is the
name of the CHARMM FF you are using, (i.e. all22_prot), and <project>
is the common name of your *.crd and *.psf files. Possible options
are listed next. If the option requires a parameter, the syntax
should be -option=value (e.g. -border=5).
are listed below. If the option requires a parameter, the syntax
must be like this: -option=value (e.g. -border=5).
-help display available options
-charmm add charmm types to LAMMPS data file
-nohints do not add charmm types and style hints to LAMMPS data file
-water add TIP3P water [default: 1 g/cc]
-ions add (counter)ions using Na+ and Cl- [default: 0 mol/l]
-center recenter atoms
@ -42,9 +42,8 @@ should be -option=value (e.g. -border=5).
-ax rotation around x-axis
-ay rotation around y-axis
-az rotation around z-axis
-cd correction for dihedral for carbohydrate systems
-cmap add CMAP section to data file and fix cmap command lines in
input script" (NOTE: requires use of *.pdb file)
input script" (NOTE: requires use of *.pdb file)
In the "example" folder, you will find example files that were created
by following the steps below. These steps describe how to take a
@ -52,15 +51,16 @@ biomolecule and convert it into LAMMPS input, and then create a *.pdb
trajectory from the LAMMPS output.
1) Get the pdb file you want to model. http://www.rcsb.org/pdb/ For
this example, we will use 1ac7.pdb
this examples, we will use either 1ac7.pdb or 1gb1.pdb
2) If there are multiple models in the pdb file, choose the one you
want and delete the others. Save the pared-down file as 1ac7_pared.pdb
3) Download the charmm FF files and choose the one you want from the
tarball. We will use all27_na for this example.
http://www.pharmacy.umaryland.edu/faculty/amackere/force_fields.htm
toppar_c31b1.tar.gz
tarball. We will use all27_na for 1AC7 and all36_prot for 1GB1. The
required files for the example are included in their folders. You can
download complete CHARMM force field packages from:
http://mackerell.umaryland.edu/charmm_ff.shtml
4) Create a *.pgn file for use with psfgen (you will need to have VMD
installed, http://www.ks.uiuc.edu/Research/vmd/ ). This is the hardest
@ -85,44 +85,50 @@ writepdb 1ac7.pdb
writepsf charmm 1ac7.psf
exit
5) Type "vmd -e 1ac7.pgn" to build the 1ac7.psf file, and the new
For 1GB1 the corresponding 1gb1.psf file has been created with CHARMM-GUI,
http://www.charmm-gui.org
5) Type "vmd -dispdev none -e 1ac7.pgn" to build the 1ac7.psf file, and the new
1ac7.pdb file.
6) Run charmm2lammps.pl by typing:
"perl charmm2lammps.pl all27_na 1ac7 -charmm -border=1 -pdb_ctrl -water -ions"
"perl charmm2lammps.pl all27_na 1ac7 -border=2.0 -pdb_ctrl -water -ions"
or
"perl charmm2lammps.pl all36_prot 1gb1 -border=2.0 -cmap=36 -water -ions"
7) Run lammps by typing: "lmp < 1ac7.in"
7) Run lammps by typing: "lmp_mpi -in 1ac7.in" or "lmp_mpi -in 1gb1.in"
8) Run lammps2pdb.pl by typing: "perl lammps2pdb.pl 1ac7"
** Additional notes:
The charmm2lammps.pl script takes the pdb and psf files for the 1ac7
molecule and converts them into LAMMPS format. The -water option
or 1gb1 molecules and converts them into LAMMPS format. The -water option
embeds the molecule in water on a crystal lattice. The -border option
includes a layer of water surrounding the minimum dimensions of the
molecule. The -pdb_ctrl option produces the 1ac7_ctrl.pdb file that
can be visualized in a standard visualization package such as VMD. The
-charmm option put comments into the LAMMPS data file (everything
can be visualized in a standard visualization package such as VMD. By
default, comments are added into the LAMMPS data file (everything
after the # sign is a comment) for user convenience in tracking atom
types etc. according to CHARMM nomenclature.
types etc. according to CHARMM nomenclature. If this is not desired,
the -nohints option can be used to turn off this function.
The example molecule provided above (i.e., 1ac7) is a DNA fragment.
If instead, a peptide longer than 2 amino acid residues or a protein
is to be modeled, the '-cmap' option should be used. This will add a
section at the end of the data file with the heading of 'CMAP' that
The provided 1ac7 example molecule is a DNA fragment. For peptides
longer than 2 amino acid residues or a protein is to be modeled,
e.g. the 1gb1 binding domain of a protein, the '-cmap' option should
be used. This will add CMAP section at the end of the data file that
will contain cmap crossterm corrections for the phi-psi dihedrals for
the amino acid residues. You will then need to also copy the
appropriate file for the cmap crossterms into your directory and be
sure that you are using the appropriate cmap crossterms that go with
the respective version of the charmm force field that is being used
(e.g, cmap22.data or cmap36.data). This is necessary to account for
the fact that the CHARMM group has provided updated cmap correction
(e.g, charmm22.cmap or charmm36.cmap). This is necessary to account
for the fact that the CHARMM group has provided updated cmap correction
terms for use with the c36 and more recent version of the charmm
protein force field. Copies of cmap22.data and cmap36.data are
provided in the tools/ch2lmp directory.
protein force field. Copies of charmm22.cmap and charmm36.cmap are
provided in the potentials directory.
The default timestep in the LAMMPS *.in file is set to 0.5 fs, which
The default timestep in the LAMMPS *.in file is set to 1.0 fs, which
can typically be increased to 2 fs after equilibration if the bonds
involving H are constrained via shake. Also, after equilibration, the
delay on neigh_modify can probably increased to 5 or so to improve
@ -131,7 +137,7 @@ speed.
The -ions option allows the user to neutralize the simulation cell
with Na+ or Cl- counterions if the molecule has a net charge
Additional salt can be added by increasing the default concentration
(e.g. -ions=0.5).
(i.e., -ions=0.5).
** In the "other" file folder, you will find:
@ -146,3 +152,4 @@ Additional salt can be added by increasing the default concentration
3) A 3rd party perl script called "crd2pdb.pl"
4) A 3rd party fortran code called "pdb_to_crd.f"

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tools/ch2lmp/charmm2lammps.pl
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tools/ch2lmp/example-cmap/1gb1.in Normal file
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@ -0,0 +1,36 @@
# Created by charmm2lammps v1.9.1 on Wed Oct 5 18:08:55 EDT 2016
# Command: charmm2lammps.pl -water -ions -border=2.0 all36_prot 1gb1
units real
neigh_modify delay 2 every 1
atom_style full
bond_style harmonic
angle_style charmm
dihedral_style charmm
improper_style harmonic
pair_style lj/charmm/coul/long 8 12
pair_modify mix arithmetic
kspace_style pppm 1e-6
read_data 1gb1.data
special_bonds charmm
thermo 10
thermo_style multi
timestep 1.0
minimize 0.0 0.0 50 200
reset_timestep 0
fix 1 all nve
fix 2 all shake 1e-6 500 0 m 1.0 a 112
velocity all create 0.0 12345678 dist uniform
restart 500 1gb1.restart1 1gb1.restart2
dump 1 all atom 100 1gb1.dump
dump_modify 1 image yes scale yes
thermo 100
run 1000

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tools/ch2lmp/example-cmap/1gb1.log Normal file
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@ -0,0 +1,256 @@
LAMMPS (5 Oct 2016)
package omp 0
WARNING: OpenMP support not enabled during compilation; using 1 thread only. (../fix_omp.cpp:123)
# Created by charmm2lammps v1.9.1 on Wed Oct 5 18:08:55 EDT 2016
# Command: charmm2lammps.pl -water -ions -border=2.0 all36_prot 1gb1
units real
neigh_modify delay 2 every 1
atom_style full
bond_style harmonic
angle_style charmm
dihedral_style charmm
improper_style harmonic
pair_style lj/charmm/coul/long 8 12
pair_modify mix arithmetic
kspace_style pppm 1e-6
read_data 1gb1.data
orthogonal box = (-20.8413 -14.5892 -13.805) to (23.4963 14.9692 10.827)
2 by 2 by 2 MPI processor grid
reading atoms ...
2833 atoms
scanning bonds ...
4 = max bonds/atom
scanning angles ...
6 = max angles/atom
scanning dihedrals ...
24 = max dihedrals/atom
scanning impropers ...
2 = max impropers/atom
reading bonds ...
2177 bonds
reading angles ...
2209 angles
reading dihedrals ...
2707 dihedrals
reading impropers ...
137 impropers
4 = max # of 1-2 neighbors
9 = max # of 1-3 neighbors
17 = max # of 1-4 neighbors
21 = max # of special neighbors
special_bonds charmm
thermo 10
thermo_style multi
timestep 1.0
minimize 0.0 0.0 50 200
WARNING: Resetting reneighboring criteria during minimization (../min.cpp:168)
PPPM initialization ...
WARNING: Using 12-bit tables for long-range coulomb (../kspace.cpp:316)
G vector (1/distance) = 0.278254
grid = 45 32 30
stencil order = 5
estimated absolute RMS force accuracy = 0.000317429
estimated relative force accuracy = 9.55928e-07
using double precision FFTs
3d grid and FFT values/proc = 15180 5760
Last active /omp style is kspace_style pppm/omp
Neighbor list info ...
1 neighbor list requests
update every 1 steps, delay 0 steps, check yes
max neighbors/atom: 2000, page size: 100000
master list distance cutoff = 14
ghost atom cutoff = 14
binsize = 7 -> bins = 7 5 4
Memory usage per processor = 19.7492 Mbytes
---------------- Step 0 ----- CPU = 0.0000 (sec) ----------------
TotEng = -3599.1065 KinEng = 0.0000 Temp = 0.0000
PotEng = -3599.1065 E_bond = 169.6834 E_angle = 103.6483
E_dihed = 583.9669 E_impro = 0.0335 E_vdwl = -776.0899
E_coul = 35419.6941 E_long = -39100.0428 Press = 3623.5803
---------------- Step 10 ----- CPU = 0.2563 (sec) ----------------
TotEng = -5168.1778 KinEng = 0.0000 Temp = 0.0000
PotEng = -5168.1778 E_bond = 120.7538 E_angle = 171.5023
E_dihed = 583.0143 E_impro = 6.5958 E_vdwl = -1034.8022
E_coul = 34737.4006 E_long = -39752.6424 Press = -10232.1944
---------------- Step 20 ----- CPU = 0.4597 (sec) ----------------
TotEng = -5784.4945 KinEng = 0.0000 Temp = 0.0000
PotEng = -5784.4945 E_bond = 110.1359 E_angle = 262.6659
E_dihed = 573.8164 E_impro = 8.5071 E_vdwl = -1050.9646
E_coul = 34464.2659 E_long = -40152.9212 Press = -10843.0328
---------------- Step 30 ----- CPU = 0.6813 (sec) ----------------
TotEng = -6342.0862 KinEng = 0.0000 Temp = 0.0000
PotEng = -6342.0862 E_bond = 146.0247 E_angle = 272.7224
E_dihed = 557.6616 E_impro = 7.1074 E_vdwl = -984.4028
E_coul = 34031.1722 E_long = -40372.3718 Press = -13674.9873
---------------- Step 40 ----- CPU = 0.8599 (sec) ----------------
TotEng = -6821.3956 KinEng = 0.0000 Temp = 0.0000
PotEng = -6821.3956 E_bond = 147.4491 E_angle = 271.5247
E_dihed = 548.2429 E_impro = 7.1832 E_vdwl = -873.4714
E_coul = 33514.8072 E_long = -40437.1312 Press = -12024.8390
---------------- Step 50 ----- CPU = 1.0662 (sec) ----------------
TotEng = -7278.3435 KinEng = 0.0000 Temp = 0.0000
PotEng = -7278.3435 E_bond = 181.9934 E_angle = 288.9107
E_dihed = 541.0050 E_impro = 7.1673 E_vdwl = -501.3825
E_coul = 32665.6923 E_long = -40461.7297 Press = -10391.9829
Loop time of 1.06631 on 8 procs for 50 steps with 2833 atoms
99.3% CPU use with 8 MPI tasks x 1 OpenMP threads
Minimization stats:
Stopping criterion = max iterations
Energy initial, next-to-last, final =
-3599.10649881 -7238.80368107 -7278.34352699
Force two-norm initial, final = 1109.81 247.325
Force max component initial, final = 107.492 37.5055
Final line search alpha, max atom move = 0.00133024 0.0498915
Iterations, force evaluations = 50 87
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 0.46313 | 0.53526 | 0.61611 | 6.9 | 50.20
Bond | 0.0070326 | 0.01008 | 0.013407 | 1.8 | 0.95
Kspace | 0.3364 | 0.41785 | 0.49165 | 8.0 | 39.19
Neigh | 0.035014 | 0.035175 | 0.035337 | 0.1 | 3.30
Comm | 0.058533 | 0.05973 | 0.060792 | 0.3 | 5.60
Output | 0.00039005 | 0.00040504 | 0.00049496 | 0.2 | 0.04
Modify | 0.0015707 | 0.0022006 | 0.0025775 | 0.6 | 0.21
Other | | 0.005615 | | | 0.53
Nlocal: 354.125 ave 376 max 344 min
Histogram: 3 1 0 1 2 0 0 0 0 1
Nghost: 7405 ave 7531 max 7307 min
Histogram: 1 2 1 0 0 1 1 1 0 1
Neighs: 178281 ave 194848 max 158123 min
Histogram: 2 0 1 0 0 1 0 1 2 1
Total # of neighbors = 1426250
Ave neighs/atom = 503.442
Ave special neighs/atom = 4.67702
Neighbor list builds = 4
Dangerous builds = 0
reset_timestep 0
fix 1 all nve
fix 2 all shake 1e-6 500 0 m 1.0 a 112
168 = # of size 2 clusters
64 = # of size 3 clusters
41 = # of size 4 clusters
658 = # of frozen angles
velocity all create 0.0 12345678 dist uniform
restart 500 1gb1.restart1 1gb1.restart2
dump 1 all atom 100 1gb1.dump
dump_modify 1 image yes scale yes
thermo 100
run 1000
PPPM initialization ...
WARNING: Using 12-bit tables for long-range coulomb (../kspace.cpp:316)
G vector (1/distance) = 0.278254
grid = 45 32 30
stencil order = 5
estimated absolute RMS force accuracy = 0.000317429
estimated relative force accuracy = 9.55928e-07
using double precision FFTs
3d grid and FFT values/proc = 15180 5760
Last active /omp style is kspace_style pppm/omp
Neighbor list info ...
1 neighbor list requests
update every 1 steps, delay 2 steps, check yes
max neighbors/atom: 2000, page size: 100000
master list distance cutoff = 14
ghost atom cutoff = 14
binsize = 7 -> bins = 7 5 4
Memory usage per processor = 20.5221 Mbytes
---------------- Step 0 ----- CPU = 0.0000 (sec) ----------------
TotEng = -7547.0017 KinEng = 0.0000 Temp = 0.0000
PotEng = -7547.0017 E_bond = 52.4535 E_angle = 149.7924
E_dihed = 541.0050 E_impro = 7.1673 E_vdwl = -501.3825
E_coul = 32665.6923 E_long = -40461.7297 Press = -9600.9476
---------------- Step 100 ----- CPU = 0.8242 (sec) ----------------
TotEng = -7049.9503 KinEng = 688.1123 Temp = 113.4757
PotEng = -7738.0625 E_bond = 53.8035 E_angle = 139.7846
E_dihed = 529.5460 E_impro = 6.1806 E_vdwl = 52.8666
E_coul = 31951.7370 E_long = -40471.9810 Press = -5991.4443
---------------- Step 200 ----- CPU = 1.6765 (sec) ----------------
TotEng = -7050.0350 KinEng = 956.0848 Temp = 157.6667
PotEng = -8006.1198 E_bond = 47.1331 E_angle = 140.9769
E_dihed = 517.5474 E_impro = 5.7244 E_vdwl = 635.2166
E_coul = 31127.8100 E_long = -40480.5282 Press = -920.9624
---------------- Step 300 ----- CPU = 2.5246 (sec) ----------------
TotEng = -7050.0984 KinEng = 1049.7346 Temp = 173.1104
PotEng = -8099.8330 E_bond = 47.4551 E_angle = 156.5090
E_dihed = 520.6006 E_impro = 9.4008 E_vdwl = 451.0904
E_coul = 31202.3817 E_long = -40487.2707 Press = -2352.9550
---------------- Step 400 ----- CPU = 3.3982 (sec) ----------------
TotEng = -7050.1671 KinEng = 1099.2465 Temp = 181.2753
PotEng = -8149.4136 E_bond = 56.6375 E_angle = 164.5897
E_dihed = 528.8356 E_impro = 8.8390 E_vdwl = 525.0114
E_coul = 31060.0380 E_long = -40493.3650 Press = -2146.9087
---------------- Step 500 ----- CPU = 4.2800 (sec) ----------------
TotEng = -7050.2027 KinEng = 1134.4924 Temp = 187.0877
PotEng = -8184.6951 E_bond = 53.5903 E_angle = 169.1090
E_dihed = 522.9488 E_impro = 7.9830 E_vdwl = 496.8404
E_coul = 31058.9967 E_long = -40494.1633 Press = -2537.1829
---------------- Step 600 ----- CPU = 5.1548 (sec) ----------------
TotEng = -7050.1894 KinEng = 1122.6756 Temp = 185.1390
PotEng = -8172.8649 E_bond = 47.9283 E_angle = 168.7967
E_dihed = 518.7200 E_impro = 9.2011 E_vdwl = 499.6778
E_coul = 31076.1916 E_long = -40493.3805 Press = -1939.2216
---------------- Step 700 ----- CPU = 6.0377 (sec) ----------------
TotEng = -7050.2850 KinEng = 1154.4452 Temp = 190.3781
PotEng = -8204.7301 E_bond = 54.3594 E_angle = 183.8772
E_dihed = 513.0797 E_impro = 9.6842 E_vdwl = 522.0052
E_coul = 31008.3632 E_long = -40496.0990 Press = -2059.4885
---------------- Step 800 ----- CPU = 6.9161 (sec) ----------------
TotEng = -7050.2852 KinEng = 1146.2741 Temp = 189.0306
PotEng = -8196.5593 E_bond = 48.8126 E_angle = 171.3411
E_dihed = 525.8682 E_impro = 10.5588 E_vdwl = 538.6905
E_coul = 31003.8447 E_long = -40495.6752 Press = -1458.5181
---------------- Step 900 ----- CPU = 7.8101 (sec) ----------------
TotEng = -7050.3025 KinEng = 1154.2134 Temp = 190.3398
PotEng = -8204.5159 E_bond = 51.1010 E_angle = 177.9642
E_dihed = 520.6908 E_impro = 8.9539 E_vdwl = 521.5994
E_coul = 31012.6307 E_long = -40497.4560 Press = -1683.9131
---------------- Step 1000 ----- CPU = 8.7313 (sec) ----------------
TotEng = -7050.3166 KinEng = 1179.9351 Temp = 194.5816
PotEng = -8230.2517 E_bond = 57.8905 E_angle = 190.1556
E_dihed = 518.1288 E_impro = 10.0403 E_vdwl = 557.6413
E_coul = 30933.6472 E_long = -40497.7554 Press = -1643.1247
Loop time of 8.73139 on 8 procs for 1000 steps with 2833 atoms
Performance: 9.895 ns/day, 2.425 hours/ns, 114.529 timesteps/s
99.6% CPU use with 8 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 3.2841 | 3.856 | 4.393 | 17.3 | 44.16
Bond | 0.041216 | 0.074389 | 0.11041 | 7.2 | 0.85
Kspace | 2.8668 | 3.4354 | 4.0036 | 18.9 | 39.35
Neigh | 0.3024 | 0.30315 | 0.30402 | 0.1 | 3.47
Comm | 0.58794 | 0.60511 | 0.61362 | 1.0 | 6.93
Output | 0.010607 | 0.010696 | 0.010783 | 0.0 | 0.12
Modify | 0.40802 | 0.41482 | 0.42598 | 0.8 | 4.75
Other | | 0.03184 | | | 0.36
Nlocal: 354.125 ave 390 max 323 min
Histogram: 2 0 2 0 1 0 0 0 1 2
Nghost: 7219.12 ave 7453 max 6941 min
Histogram: 1 1 1 1 0 0 0 0 2 2
Neighs: 179095 ave 217661 max 144647 min
Histogram: 1 0 1 1 1 2 1 0 0 1
Total # of neighbors = 1432758
Ave neighs/atom = 505.739
Ave special neighs/atom = 4.67702
Neighbor list builds = 39
Dangerous builds = 0
Total wall time: 0:00:09

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tools/ch2lmp/example-cmap/1gb1.pdb Normal file
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@ -0,0 +1,860 @@
REMARK GENERATED BY CHARMM-GUI (HTTP://WWW.CHARMM-GUI.ORG) V1.8 ON OCT, 05. 2016.
REMARK READ PDB, MANIPULATE STRUCTURE IF NEEDED, AND GENERATE TOPOLOGY FILE
REMARK DATE: 10/ 5/16 11:23:33 CREATED BY USER: apache
ATOM 1 N MET P 1 -14.136 1.321 3.616 1.00 0.00 PROA
ATOM 2 HT1 MET P 1 -14.508 1.808 4.456 1.00 0.00 PROA
ATOM 3 HT2 MET P 1 -14.920 1.092 2.972 1.00 0.00 PROA
ATOM 4 HT3 MET P 1 -13.457 1.940 3.129 1.00 0.00 PROA
ATOM 5 CA MET P 1 -13.451 0.063 4.032 1.00 0.00 PROA
ATOM 6 HA MET P 1 -13.936 -0.296 4.928 1.00 0.00 PROA
ATOM 7 CB MET P 1 -13.532 -0.987 2.924 1.00 0.00 PROA
ATOM 8 HB1 MET P 1 -13.322 -1.993 3.346 1.00 0.00 PROA
ATOM 9 HB2 MET P 1 -12.778 -0.762 2.139 1.00 0.00 PROA
ATOM 10 CG MET P 1 -14.934 -0.967 2.313 1.00 0.00 PROA
ATOM 11 HG1 MET P 1 -15.640 -0.688 3.121 1.00 0.00 PROA
ATOM 12 HG2 MET P 1 -15.164 -2.002 1.987 1.00 0.00 PROA
ATOM 13 SD MET P 1 -15.215 0.142 0.911 1.00 0.00 PROA
ATOM 14 CE MET P 1 -17.024 0.090 0.941 1.00 0.00 PROA
ATOM 15 HE1 MET P 1 -17.422 0.459 1.910 1.00 0.00 PROA
ATOM 16 HE2 MET P 1 -17.380 -0.952 0.798 1.00 0.00 PROA
ATOM 17 HE3 MET P 1 -17.440 0.730 0.134 1.00 0.00 PROA
ATOM 18 C MET P 1 -11.981 0.360 4.336 1.00 0.00 PROA
ATOM 19 O MET P 1 -11.557 1.499 4.315 1.00 0.00 PROA
ATOM 20 N THR P 2 -11.236 -0.674 4.615 1.00 0.00 PROA
ATOM 21 HN THR P 2 -11.585 -1.608 4.637 1.00 0.00 PROA
ATOM 22 CA THR P 2 -9.789 -0.480 4.920 1.00 0.00 PROA
ATOM 23 HA THR P 2 -9.471 0.458 4.489 1.00 0.00 PROA
ATOM 24 CB THR P 2 -9.596 -0.471 6.438 1.00 0.00 PROA
ATOM 25 HB THR P 2 -9.784 -1.477 6.870 1.00 0.00 PROA
ATOM 26 OG1 THR P 2 -10.561 0.460 6.921 1.00 0.00 PROA
ATOM 27 HG1 THR P 2 -10.262 0.722 7.795 1.00 0.00 PROA
ATOM 28 CG2 THR P 2 -8.242 0.113 6.829 1.00 0.00 PROA
ATOM 29 HG21 THR P 2 -8.282 1.223 6.800 1.00 0.00 PROA
ATOM 30 HG22 THR P 2 -7.461 -0.233 6.118 1.00 0.00 PROA
ATOM 31 HG23 THR P 2 -7.976 -0.205 7.860 1.00 0.00 PROA
ATOM 32 C THR P 2 -8.972 -1.621 4.305 1.00 0.00 PROA
ATOM 33 O THR P 2 -9.232 -2.779 4.565 1.00 0.00 PROA
ATOM 34 N TYR P 3 -7.999 -1.268 3.504 1.00 0.00 PROA
ATOM 35 HN TYR P 3 -7.779 -0.318 3.295 1.00 0.00 PROA
ATOM 36 CA TYR P 3 -7.158 -2.327 2.856 1.00 0.00 PROA
ATOM 37 HA TYR P 3 -7.689 -3.266 2.911 1.00 0.00 PROA
ATOM 38 CB TYR P 3 -6.895 -1.941 1.399 1.00 0.00 PROA
ATOM 39 HB1 TYR P 3 -6.626 -2.840 0.804 1.00 0.00 PROA
ATOM 40 HB2 TYR P 3 -6.081 -1.187 1.341 1.00 0.00 PROA
ATOM 41 CG TYR P 3 -8.164 -1.328 0.800 1.00 0.00 PROA
ATOM 42 CD1 TYR P 3 -8.527 -0.030 1.101 1.00 0.00 PROA
ATOM 43 HD1 TYR P 3 -7.911 0.559 1.764 1.00 0.00 PROA
ATOM 44 CE1 TYR P 3 -9.672 0.520 0.560 1.00 0.00 PROA
ATOM 45 HE1 TYR P 3 -9.945 1.536 0.803 1.00 0.00 PROA
ATOM 46 CZ TYR P 3 -10.470 -0.218 -0.288 1.00 0.00 PROA
ATOM 47 OH TYR P 3 -11.615 0.333 -0.828 1.00 0.00 PROA
ATOM 48 HH TYR P 3 -11.943 -0.266 -1.503 1.00 0.00 PROA
ATOM 49 CD2 TYR P 3 -8.963 -2.065 -0.048 1.00 0.00 PROA
ATOM 50 HD2 TYR P 3 -8.691 -3.081 -0.292 1.00 0.00 PROA
ATOM 51 CE2 TYR P 3 -10.108 -1.514 -0.588 1.00 0.00 PROA
ATOM 52 HE2 TYR P 3 -10.725 -2.103 -1.251 1.00 0.00 PROA
ATOM 53 C TYR P 3 -5.826 -2.467 3.602 1.00 0.00 PROA
ATOM 54 O TYR P 3 -5.392 -1.551 4.271 1.00 0.00 PROA
ATOM 55 N LYS P 4 -5.205 -3.613 3.467 1.00 0.00 PROA
ATOM 56 HN LYS P 4 -5.555 -4.362 2.910 1.00 0.00 PROA
ATOM 57 CA LYS P 4 -3.902 -3.836 4.174 1.00 0.00 PROA
ATOM 58 HA LYS P 4 -3.795 -3.084 4.942 1.00 0.00 PROA
ATOM 59 CB LYS P 4 -3.908 -5.240 4.786 1.00 0.00 PROA
ATOM 60 HB1 LYS P 4 -3.485 -5.965 4.058 1.00 0.00 PROA
ATOM 61 HB2 LYS P 4 -4.952 -5.537 5.023 1.00 0.00 PROA
ATOM 62 CG LYS P 4 -3.065 -5.252 6.072 1.00 0.00 PROA
ATOM 63 HG1 LYS P 4 -3.715 -5.030 6.945 1.00 0.00 PROA
ATOM 64 HG2 LYS P 4 -2.274 -4.475 6.006 1.00 0.00 PROA
ATOM 65 CD LYS P 4 -2.417 -6.631 6.251 1.00 0.00 PROA
ATOM 66 HD1 LYS P 4 -1.776 -6.627 7.159 1.00 0.00 PROA
ATOM 67 HD2 LYS P 4 -1.785 -6.864 5.367 1.00 0.00 PROA
ATOM 68 CE LYS P 4 -3.508 -7.695 6.397 1.00 0.00 PROA
ATOM 69 HE1 LYS P 4 -4.495 -7.209 6.553 1.00 0.00 PROA
ATOM 70 HE2 LYS P 4 -3.273 -8.366 7.251 1.00 0.00 PROA
ATOM 71 NZ LYS P 4 -3.593 -8.527 5.165 1.00 0.00 PROA
ATOM 72 HZ1 LYS P 4 -2.643 -8.862 4.906 1.00 0.00 PROA
ATOM 73 HZ2 LYS P 4 -3.983 -7.957 4.388 1.00 0.00 PROA
ATOM 74 HZ3 LYS P 4 -4.213 -9.344 5.340 1.00 0.00 PROA
ATOM 75 C LYS P 4 -2.738 -3.736 3.185 1.00 0.00 PROA
ATOM 76 O LYS P 4 -2.705 -4.433 2.202 1.00 0.00 PROA
ATOM 77 N LEU P 5 -1.799 -2.885 3.475 1.00 0.00 PROA
ATOM 78 HN LEU P 5 -1.804 -2.315 4.293 1.00 0.00 PROA
ATOM 79 CA LEU P 5 -0.643 -2.743 2.540 1.00 0.00 PROA
ATOM 80 HA LEU P 5 -0.978 -2.980 1.541 1.00 0.00 PROA
ATOM 81 CB LEU P 5 -0.118 -1.282 2.613 1.00 0.00 PROA
ATOM 82 HB1 LEU P 5 -0.206 -0.921 3.660 1.00 0.00 PROA
ATOM 83 HB2 LEU P 5 -0.747 -0.642 1.958 1.00 0.00 PROA
ATOM 84 CG LEU P 5 1.371 -1.158 2.160 1.00 0.00 PROA
ATOM 85 HG LEU P 5 2.007 -1.789 2.817 1.00 0.00 PROA
ATOM 86 CD1 LEU P 5 1.545 -1.612 0.700 1.00 0.00 PROA
ATOM 87 HD11 LEU P 5 1.588 -0.728 0.028 1.00 0.00 PROA
ATOM 88 HD12 LEU P 5 0.685 -2.247 0.396 1.00 0.00 PROA
ATOM 89 HD13 LEU P 5 2.490 -2.186 0.593 1.00 0.00 PROA
ATOM 90 CD2 LEU P 5 1.783 0.314 2.258 1.00 0.00 PROA
ATOM 91 HD21 LEU P 5 1.678 0.671 3.305 1.00 0.00 PROA
ATOM 92 HD22 LEU P 5 1.131 0.933 1.605 1.00 0.00 PROA
ATOM 93 HD23 LEU P 5 2.843 0.431 1.948 1.00 0.00 PROA
ATOM 94 C LEU P 5 0.470 -3.722 2.927 1.00 0.00 PROA
ATOM 95 O LEU P 5 0.621 -4.067 4.083 1.00 0.00 PROA
ATOM 96 N ILE P 6 1.219 -4.142 1.941 1.00 0.00 PROA
ATOM 97 HN ILE P 6 1.069 -3.868 0.994 1.00 0.00 PROA
ATOM 98 CA ILE P 6 2.351 -5.066 2.198 1.00 0.00 PROA
ATOM 99 HA ILE P 6 2.487 -5.148 3.266 1.00 0.00 PROA
ATOM 100 CB ILE P 6 2.044 -6.433 1.589 1.00 0.00 PROA
ATOM 101 HB ILE P 6 1.757 -6.312 0.523 1.00 0.00 PROA
ATOM 102 CG2 ILE P 6 3.288 -7.319 1.691 1.00 0.00 PROA
ATOM 103 HG21 ILE P 6 3.685 -7.302 2.729 1.00 0.00 PROA
ATOM 104 HG22 ILE P 6 4.076 -6.944 1.004 1.00 0.00 PROA
ATOM 105 HG23 ILE P 6 3.029 -8.367 1.427 1.00 0.00 PROA
ATOM 106 CG1 ILE P 6 0.893 -7.076 2.368 1.00 0.00 PROA
ATOM 107 HG11 ILE P 6 0.164 -6.294 2.672 1.00 0.00 PROA
ATOM 108 HG12 ILE P 6 1.289 -7.571 3.280 1.00 0.00 PROA
ATOM 109 CD ILE P 6 0.199 -8.110 1.481 1.00 0.00 PROA
ATOM 110 HD1 ILE P 6 0.953 -8.676 0.892 1.00 0.00 PROA
ATOM 111 HD2 ILE P 6 -0.492 -7.600 0.776 1.00 0.00 PROA
ATOM 112 HD3 ILE P 6 -0.370 -8.827 2.110 1.00 0.00 PROA
ATOM 113 C ILE P 6 3.620 -4.487 1.568 1.00 0.00 PROA
ATOM 114 O ILE P 6 3.820 -4.572 0.372 1.00 0.00 PROA
ATOM 115 N LEU P 7 4.450 -3.906 2.389 1.00 0.00 PROA
ATOM 116 HN LEU P 7 4.294 -3.848 3.372 1.00 0.00 PROA
ATOM 117 CA LEU P 7 5.702 -3.290 1.859 1.00 0.00 PROA
ATOM 118 HA LEU P 7 5.477 -2.811 0.917 1.00 0.00 PROA
ATOM 119 CB LEU P 7 6.218 -2.272 2.874 1.00 0.00 PROA
ATOM 120 HB1 LEU P 7 7.241 -1.945 2.590 1.00 0.00 PROA
ATOM 121 HB2 LEU P 7 6.257 -2.735 3.883 1.00 0.00 PROA
ATOM 122 CG LEU P 7 5.277 -1.067 2.894 1.00 0.00 PROA
ATOM 123 HG LEU P 7 4.323 -1.329 2.388 1.00 0.00 PROA
ATOM 124 CD1 LEU P 7 4.999 -0.668 4.344 1.00 0.00 PROA
ATOM 125 HD11 LEU P 7 5.948 -0.400 4.855 1.00 0.00 PROA
ATOM 126 HD12 LEU P 7 4.531 -1.517 4.887 1.00 0.00 PROA
ATOM 127 HD13 LEU P 7 4.321 0.212 4.371 1.00 0.00 PROA
ATOM 128 CD2 LEU P 7 5.942 0.104 2.170 1.00 0.00 PROA
ATOM 129 HD21 LEU P 7 6.161 -0.173 1.117 1.00 0.00 PROA
ATOM 130 HD22 LEU P 7 6.897 0.367 2.673 1.00 0.00 PROA
ATOM 131 HD23 LEU P 7 5.264 0.984 2.172 1.00 0.00 PROA
ATOM 132 C LEU P 7 6.776 -4.348 1.607 1.00 0.00 PROA
ATOM 133 O LEU P 7 7.260 -4.974 2.528 1.00 0.00 PROA
ATOM 134 N ASN P 8 7.121 -4.526 0.354 1.00 0.00 PROA
ATOM 135 HN ASN P 8 6.708 -4.023 -0.401 1.00 0.00 PROA
ATOM 136 CA ASN P 8 8.174 -5.517 0.012 1.00 0.00 PROA
ATOM 137 HA ASN P 8 8.344 -6.151 0.870 1.00 0.00 PROA
ATOM 138 CB ASN P 8 7.688 -6.338 -1.187 1.00 0.00 PROA
ATOM 139 HB1 ASN P 8 8.494 -6.405 -1.948 1.00 0.00 PROA
ATOM 140 HB2 ASN P 8 6.799 -5.851 -1.640 1.00 0.00 PROA
ATOM 141 CG ASN P 8 7.314 -7.738 -0.726 1.00 0.00 PROA
ATOM 142 OD1 ASN P 8 8.059 -8.400 -0.030 1.00 0.00 PROA
ATOM 143 ND2 ASN P 8 6.167 -8.225 -1.096 1.00 0.00 PROA
ATOM 144 HD21 ASN P 8 5.897 -9.143 -0.807 1.00 0.00 PROA
ATOM 145 HD22 ASN P 8 5.555 -7.681 -1.670 1.00 0.00 PROA
ATOM 146 C ASN P 8 9.476 -4.775 -0.333 1.00 0.00 PROA
ATOM 147 O ASN P 8 10.211 -5.157 -1.223 1.00 0.00 PROA
ATOM 148 N GLY P 9 9.740 -3.732 0.400 1.00 0.00 PROA
ATOM 149 HN GLY P 9 9.158 -3.426 1.149 1.00 0.00 PROA
ATOM 150 CA GLY P 9 10.969 -2.943 0.122 1.00 0.00 PROA
ATOM 151 HA1 GLY P 9 11.031 -2.141 0.843 1.00 0.00 PROA
ATOM 152 HA2 GLY P 9 10.898 -2.540 -0.878 1.00 0.00 PROA
ATOM 153 C GLY P 9 12.207 -3.827 0.231 1.00 0.00 PROA
ATOM 154 O GLY P 9 12.302 -4.667 1.104 1.00 0.00 PROA
ATOM 155 N LYS P 10 13.133 -3.614 -0.658 1.00 0.00 PROA
ATOM 156 HN LYS P 10 13.058 -2.921 -1.371 1.00 0.00 PROA
ATOM 157 CA LYS P 10 14.377 -4.434 -0.630 1.00 0.00 PROA
ATOM 158 HA LYS P 10 14.098 -5.475 -0.563 1.00 0.00 PROA
ATOM 159 CB LYS P 10 15.182 -4.173 -1.902 1.00 0.00 PROA
ATOM 160 HB1 LYS P 10 15.442 -3.095 -1.967 1.00 0.00 PROA
ATOM 161 HB2 LYS P 10 14.578 -4.450 -2.792 1.00 0.00 PROA
ATOM 162 CG LYS P 10 16.461 -5.011 -1.865 1.00 0.00 PROA
ATOM 163 HG1 LYS P 10 16.245 -6.005 -1.418 1.00 0.00 PROA
ATOM 164 HG2 LYS P 10 17.227 -4.498 -1.245 1.00 0.00 PROA
ATOM 165 CD LYS P 10 16.986 -5.190 -3.291 1.00 0.00 PROA
ATOM 166 HD1 LYS P 10 16.635 -4.350 -3.928 1.00 0.00 PROA
ATOM 167 HD2 LYS P 10 16.605 -6.144 -3.714 1.00 0.00 PROA
ATOM 168 CE LYS P 10 18.516 -5.212 -3.263 1.00 0.00 PROA
ATOM 169 HE1 LYS P 10 18.906 -5.708 -4.177 1.00 0.00 PROA
ATOM 170 HE2 LYS P 10 18.872 -5.746 -2.357 1.00 0.00 PROA
ATOM 171 NZ LYS P 10 19.056 -3.825 -3.224 1.00 0.00 PROA
ATOM 172 HZ1 LYS P 10 18.709 -3.341 -2.371 1.00 0.00 PROA
ATOM 173 HZ2 LYS P 10 18.741 -3.306 -4.069 1.00 0.00 PROA
ATOM 174 HZ3 LYS P 10 20.095 -3.858 -3.206 1.00 0.00 PROA
ATOM 175 C LYS P 10 15.211 -4.054 0.590 1.00 0.00 PROA
ATOM 176 O LYS P 10 15.959 -4.858 1.112 1.00 0.00 PROA
ATOM 177 N THR P 11 15.059 -2.830 1.017 1.00 0.00 PROA
ATOM 178 HN THR P 11 14.445 -2.175 0.583 1.00 0.00 PROA
ATOM 179 CA THR P 11 15.822 -2.358 2.202 1.00 0.00 PROA
ATOM 180 HA THR P 11 16.616 -3.063 2.401 1.00 0.00 PROA
ATOM 181 CB THR P 11 16.392 -0.970 1.905 1.00 0.00 PROA
ATOM 182 HB THR P 11 16.464 -0.361 2.831 1.00 0.00 PROA
ATOM 183 OG1 THR P 11 15.462 -0.382 1.001 1.00 0.00 PROA
ATOM 184 HG1 THR P 11 15.713 0.541 0.926 1.00 0.00 PROA
ATOM 185 CG2 THR P 11 17.707 -1.056 1.134 1.00 0.00 PROA
ATOM 186 HG21 THR P 11 17.549 -1.578 0.166 1.00 0.00 PROA
ATOM 187 HG22 THR P 11 18.456 -1.625 1.725 1.00 0.00 PROA
ATOM 188 HG23 THR P 11 18.092 -0.034 0.927 1.00 0.00 PROA
ATOM 189 C THR P 11 14.901 -2.278 3.423 1.00 0.00 PROA
ATOM 190 O THR P 11 15.353 -2.035 4.524 1.00 0.00 PROA
ATOM 191 N LEU P 12 13.626 -2.483 3.207 1.00 0.00 PROA
ATOM 192 HN LEU P 12 13.244 -2.687 2.309 1.00 0.00 PROA
ATOM 193 CA LEU P 12 12.680 -2.409 4.364 1.00 0.00 PROA
ATOM 194 HA LEU P 12 13.117 -2.937 5.199 1.00 0.00 PROA
ATOM 195 CB LEU P 12 12.445 -0.938 4.715 1.00 0.00 PROA
ATOM 196 HB1 LEU P 12 11.828 -0.460 3.924 1.00 0.00 PROA
ATOM 197 HB2 LEU P 12 13.420 -0.410 4.777 1.00 0.00 PROA
ATOM 198 CG LEU P 12 11.718 -0.839 6.066 1.00 0.00 PROA
ATOM 199 HG LEU P 12 10.802 -1.467 6.040 1.00 0.00 PROA
ATOM 200 CD1 LEU P 12 12.639 -1.322 7.198 1.00 0.00 PROA
ATOM 201 HD11 LEU P 12 13.628 -0.821 7.126 1.00 0.00 PROA
ATOM 202 HD12 LEU P 12 12.791 -2.420 7.119 1.00 0.00 PROA
ATOM 203 HD13 LEU P 12 12.188 -1.077 8.183 1.00 0.00 PROA
ATOM 204 CD2 LEU P 12 11.335 0.619 6.322 1.00 0.00 PROA
ATOM 205 HD21 LEU P 12 10.664 0.985 5.515 1.00 0.00 PROA
ATOM 206 HD22 LEU P 12 12.248 1.252 6.339 1.00 0.00 PROA
ATOM 207 HD23 LEU P 12 10.802 0.705 7.293 1.00 0.00 PROA
ATOM 208 C LEU P 12 11.338 -3.072 4.024 1.00 0.00 PROA
ATOM 209 O LEU P 12 10.709 -2.737 3.041 1.00 0.00 PROA
ATOM 210 N LYS P 13 10.929 -3.996 4.859 1.00 0.00 PROA
ATOM 211 HN LYS P 13 11.448 -4.268 5.666 1.00 0.00 PROA
ATOM 212 CA LYS P 13 9.626 -4.695 4.619 1.00 0.00 PROA
ATOM 213 HA LYS P 13 9.208 -4.328 3.693 1.00 0.00 PROA
ATOM 214 CB LYS P 13 9.869 -6.202 4.541 1.00 0.00 PROA
ATOM 215 HB1 LYS P 13 8.913 -6.724 4.322 1.00 0.00 PROA
ATOM 216 HB2 LYS P 13 10.263 -6.568 5.513 1.00 0.00 PROA
ATOM 217 CG LYS P 13 10.882 -6.493 3.431 1.00 0.00 PROA
ATOM 218 HG1 LYS P 13 11.321 -5.540 3.064 1.00 0.00 PROA
ATOM 219 HG2 LYS P 13 10.375 -7.003 2.585 1.00 0.00 PROA
ATOM 220 CD LYS P 13 11.989 -7.391 3.987 1.00 0.00 PROA
ATOM 221 HD1 LYS P 13 11.550 -8.343 4.356 1.00 0.00 PROA
ATOM 222 HD2 LYS P 13 12.498 -6.880 4.832 1.00 0.00 PROA
ATOM 223 CE LYS P 13 13.001 -7.685 2.877 1.00 0.00 PROA
ATOM 224 HE1 LYS P 13 12.470 -7.896 1.924 1.00 0.00 PROA
ATOM 225 HE2 LYS P 13 13.636 -8.552 3.160 1.00 0.00 PROA
ATOM 226 NZ LYS P 13 13.892 -6.511 2.660 1.00 0.00 PROA
ATOM 227 HZ1 LYS P 13 14.276 -6.193 3.573 1.00 0.00 PROA
ATOM 228 HZ2 LYS P 13 13.348 -5.739 2.225 1.00 0.00 PROA
ATOM 229 HZ3 LYS P 13 14.674 -6.781 2.030 1.00 0.00 PROA
ATOM 230 C LYS P 13 8.653 -4.391 5.765 1.00 0.00 PROA
ATOM 231 O LYS P 13 9.030 -4.407 6.921 1.00 0.00 PROA
ATOM 232 N GLY P 14 7.422 -4.123 5.423 1.00 0.00 PROA
ATOM 233 HN GLY P 14 7.105 -4.114 4.478 1.00 0.00 PROA
ATOM 234 CA GLY P 14 6.422 -3.811 6.484 1.00 0.00 PROA
ATOM 235 HA1 GLY P 14 6.543 -2.777 6.773 1.00 0.00 PROA
ATOM 236 HA2 GLY P 14 6.608 -4.458 7.328 1.00 0.00 PROA
ATOM 237 C GLY P 14 4.996 -4.035 5.973 1.00 0.00 PROA
ATOM 238 O GLY P 14 4.784 -4.706 4.983 1.00 0.00 PROA
ATOM 239 N GLU P 15 4.048 -3.464 6.666 1.00 0.00 PROA
ATOM 240 HN GLU P 15 4.225 -2.910 7.476 1.00 0.00 PROA
ATOM 241 CA GLU P 15 2.628 -3.627 6.257 1.00 0.00 PROA
ATOM 242 HA GLU P 15 2.525 -3.280 5.239 1.00 0.00 PROA
ATOM 243 CB GLU P 15 2.236 -5.102 6.367 1.00 0.00 PROA
ATOM 244 HB1 GLU P 15 2.641 -5.663 5.497 1.00 0.00 PROA
ATOM 245 HB2 GLU P 15 1.129 -5.196 6.371 1.00 0.00 PROA
ATOM 246 CG GLU P 15 2.806 -5.680 7.663 1.00 0.00 PROA
ATOM 247 HG1 GLU P 15 3.031 -4.858 8.375 1.00 0.00 PROA
ATOM 248 HG2 GLU P 15 3.740 -6.241 7.447 1.00 0.00 PROA
ATOM 249 CD GLU P 15 1.779 -6.626 8.288 1.00 0.00 PROA
ATOM 250 OE1 GLU P 15 1.486 -7.614 7.636 1.00 0.00 PROA
ATOM 251 OE2 GLU P 15 1.345 -6.306 9.382 1.00 0.00 PROA
ATOM 252 C GLU P 15 1.734 -2.783 7.176 1.00 0.00 PROA
ATOM 253 O GLU P 15 1.858 -2.839 8.383 1.00 0.00 PROA
ATOM 254 N THR P 16 0.856 -2.020 6.592 1.00 0.00 PROA
ATOM 255 HN THR P 16 0.744 -1.968 5.603 1.00 0.00 PROA
ATOM 256 CA THR P 16 -0.041 -1.168 7.434 1.00 0.00 PROA
ATOM 257 HA THR P 16 -0.175 -1.653 8.389 1.00 0.00 PROA
ATOM 258 CB THR P 16 0.599 0.212 7.613 1.00 0.00 PROA
ATOM 259 HB THR P 16 1.644 0.123 7.979 1.00 0.00 PROA
ATOM 260 OG1 THR P 16 -0.210 0.863 8.588 1.00 0.00 PROA
ATOM 261 HG1 THR P 16 0.176 1.733 8.714 1.00 0.00 PROA
ATOM 262 CG2 THR P 16 0.471 1.058 6.350 1.00 0.00 PROA
ATOM 263 HG21 THR P 16 -0.588 1.357 6.196 1.00 0.00 PROA
ATOM 264 HG22 THR P 16 0.806 0.473 5.467 1.00 0.00 PROA
ATOM 265 HG23 THR P 16 1.088 1.977 6.446 1.00 0.00 PROA
ATOM 266 C THR P 16 -1.410 -1.021 6.767 1.00 0.00 PROA
ATOM 267 O THR P 16 -1.527 -1.123 5.565 1.00 0.00 PROA
ATOM 268 N THR P 17 -2.416 -0.778 7.567 1.00 0.00 PROA
ATOM 269 HN THR P 17 -2.318 -0.680 8.554 1.00 0.00 PROA
ATOM 270 CA THR P 17 -3.792 -0.636 6.999 1.00 0.00 PROA
ATOM 271 HA THR P 17 -3.785 -1.015 5.988 1.00 0.00 PROA
ATOM 272 CB THR P 17 -4.777 -1.426 7.866 1.00 0.00 PROA
ATOM 273 HB THR P 17 -5.713 -1.644 7.310 1.00 0.00 PROA
ATOM 274 OG1 THR P 17 -5.050 -0.572 8.973 1.00 0.00 PROA
ATOM 275 HG1 THR P 17 -4.665 0.279 8.752 1.00 0.00 PROA
ATOM 276 CG2 THR P 17 -4.128 -2.668 8.474 1.00 0.00 PROA
ATOM 277 HG21 THR P 17 -3.389 -2.372 9.249 1.00 0.00 PROA
ATOM 278 HG22 THR P 17 -3.602 -3.245 7.684 1.00 0.00 PROA
ATOM 279 HG23 THR P 17 -4.904 -3.306 8.949 1.00 0.00 PROA
ATOM 280 C THR P 17 -4.211 0.834 6.971 1.00 0.00 PROA
ATOM 281 O THR P 17 -3.964 1.570 7.907 1.00 0.00 PROA
ATOM 282 N THR P 18 -4.838 1.226 5.890 1.00 0.00 PROA
ATOM 283 HN THR P 18 -5.032 0.618 5.124 1.00 0.00 PROA
ATOM 284 CA THR P 18 -5.298 2.643 5.765 1.00 0.00 PROA
ATOM 285 HA THR P 18 -5.145 3.137 6.713 1.00 0.00 PROA
ATOM 286 CB THR P 18 -4.495 3.335 4.659 1.00 0.00 PROA
ATOM 287 HB THR P 18 -3.425 3.041 4.699 1.00 0.00 PROA
ATOM 288 OG1 THR P 18 -4.633 4.727 4.928 1.00 0.00 PROA
ATOM 289 HG1 THR P 18 -4.135 5.179 4.243 1.00 0.00 PROA
ATOM 290 CG2 THR P 18 -5.134 3.128 3.288 1.00 0.00 PROA
ATOM 291 HG21 THR P 18 -6.085 3.699 3.220 1.00 0.00 PROA
ATOM 292 HG22 THR P 18 -5.355 2.050 3.133 1.00 0.00 PROA
ATOM 293 HG23 THR P 18 -4.447 3.487 2.492 1.00 0.00 PROA
ATOM 294 C THR P 18 -6.789 2.682 5.411 1.00 0.00 PROA
ATOM 295 O THR P 18 -7.286 1.830 4.693 1.00 0.00 PROA
ATOM 296 N GLU P 19 -7.472 3.665 5.929 1.00 0.00 PROA
ATOM 297 HN GLU P 19 -7.070 4.355 6.526 1.00 0.00 PROA
ATOM 298 CA GLU P 19 -8.928 3.784 5.629 1.00 0.00 PROA
ATOM 299 HA GLU P 19 -9.328 2.792 5.478 1.00 0.00 PROA
ATOM 300 CB GLU P 19 -9.627 4.475 6.800 1.00 0.00 PROA
ATOM 301 HB1 GLU P 19 -10.239 5.322 6.424 1.00 0.00 PROA
ATOM 302 HB2 GLU P 19 -8.869 4.868 7.510 1.00 0.00 PROA
ATOM 303 CG GLU P 19 -10.527 3.464 7.513 1.00 0.00 PROA
ATOM 304 HG1 GLU P 19 -9.914 2.625 7.907 1.00 0.00 PROA
ATOM 305 HG2 GLU P 19 -11.280 3.062 6.802 1.00 0.00 PROA
ATOM 306 CD GLU P 19 -11.244 4.157 8.673 1.00 0.00 PROA
ATOM 307 OE1 GLU P 19 -10.552 4.850 9.401 1.00 0.00 PROA
ATOM 308 OE2 GLU P 19 -12.443 3.954 8.767 1.00 0.00 PROA
ATOM 309 C GLU P 19 -9.130 4.606 4.354 1.00 0.00 PROA
ATOM 310 O GLU P 19 -8.688 5.735 4.266 1.00 0.00 PROA
ATOM 311 N ALA P 20 -9.790 4.021 3.391 1.00 0.00 PROA
ATOM 312 HN ALA P 20 -10.152 3.095 3.461 1.00 0.00 PROA
ATOM 313 CA ALA P 20 -10.029 4.752 2.111 1.00 0.00 PROA
ATOM 314 HA ALA P 20 -9.928 5.811 2.298 1.00 0.00 PROA
ATOM 315 CB ALA P 20 -9.008 4.287 1.073 1.00 0.00 PROA
ATOM 316 HB1 ALA P 20 -8.854 3.190 1.154 1.00 0.00 PROA
ATOM 317 HB2 ALA P 20 -8.035 4.795 1.245 1.00 0.00 PROA
ATOM 318 HB3 ALA P 20 -9.375 4.519 0.051 1.00 0.00 PROA
ATOM 319 C ALA P 20 -11.446 4.473 1.598 1.00 0.00 PROA
ATOM 320 O ALA P 20 -12.020 3.441 1.883 1.00 0.00 PROA
ATOM 321 N VAL P 21 -11.978 5.402 0.852 1.00 0.00 PROA
ATOM 322 HN VAL P 21 -11.508 6.249 0.615 1.00 0.00 PROA
ATOM 323 CA VAL P 21 -13.357 5.212 0.315 1.00 0.00 PROA
ATOM 324 HA VAL P 21 -13.919 4.616 1.019 1.00 0.00 PROA
ATOM 325 CB VAL P 21 -14.011 6.579 0.122 1.00 0.00 PROA
ATOM 326 HB VAL P 21 -14.390 6.954 1.097 1.00 0.00 PROA
ATOM 327 CG1 VAL P 21 -12.975 7.556 -0.439 1.00 0.00 PROA
ATOM 328 HG11 VAL P 21 -12.464 7.108 -1.318 1.00 0.00 PROA
ATOM 329 HG12 VAL P 21 -12.212 7.784 0.336 1.00 0.00 PROA
ATOM 330 HG13 VAL P 21 -13.475 8.495 -0.760 1.00 0.00 PROA
ATOM 331 CG2 VAL P 21 -15.169 6.449 -0.869 1.00 0.00 PROA
ATOM 332 HG21 VAL P 21 -15.831 5.607 -0.574 1.00 0.00 PROA
ATOM 333 HG22 VAL P 21 -14.774 6.249 -1.888 1.00 0.00 PROA
ATOM 334 HG23 VAL P 21 -15.767 7.385 -0.876 1.00 0.00 PROA
ATOM 335 C VAL P 21 -13.311 4.475 -1.028 1.00 0.00 PROA
ATOM 336 O VAL P 21 -14.244 3.788 -1.393 1.00 0.00 PROA
ATOM 337 N ASP P 22 -12.223 4.635 -1.736 1.00 0.00 PROA
ATOM 338 HN ASP P 22 -11.455 5.197 -1.439 1.00 0.00 PROA
ATOM 339 CA ASP P 22 -12.102 3.952 -3.059 1.00 0.00 PROA
ATOM 340 HA ASP P 22 -12.760 3.096 -3.063 1.00 0.00 PROA
ATOM 341 CB ASP P 22 -12.486 4.934 -4.163 1.00 0.00 PROA
ATOM 342 HB1 ASP P 22 -13.592 4.995 -4.245 1.00 0.00 PROA
ATOM 343 HB2 ASP P 22 -12.068 4.592 -5.134 1.00 0.00 PROA
ATOM 344 CG ASP P 22 -11.925 6.316 -3.828 1.00 0.00 PROA
ATOM 345 OD1 ASP P 22 -11.033 6.349 -2.997 1.00 0.00 PROA
ATOM 346 OD2 ASP P 22 -12.420 7.260 -4.422 1.00 0.00 PROA
ATOM 347 C ASP P 22 -10.663 3.471 -3.281 1.00 0.00 PROA
ATOM 348 O ASP P 22 -9.794 3.702 -2.464 1.00 0.00 PROA
ATOM 349 N ALA P 23 -10.446 2.813 -4.387 1.00 0.00 PROA
ATOM 350 HN ALA P 23 -11.157 2.626 -5.060 1.00 0.00 PROA
ATOM 351 CA ALA P 23 -9.075 2.304 -4.683 1.00 0.00 PROA
ATOM 352 HA ALA P 23 -8.665 1.880 -3.778 1.00 0.00 PROA
ATOM 353 CB ALA P 23 -9.163 1.247 -5.783 1.00 0.00 PROA
ATOM 354 HB1 ALA P 23 -9.758 1.634 -6.637 1.00 0.00 PROA
ATOM 355 HB2 ALA P 23 -9.658 0.333 -5.391 1.00 0.00 PROA
ATOM 356 HB3 ALA P 23 -8.144 0.994 -6.147 1.00 0.00 PROA
ATOM 357 C ALA P 23 -8.168 3.449 -5.149 1.00 0.00 PROA
ATOM 358 O ALA P 23 -7.017 3.524 -4.771 1.00 0.00 PROA
ATOM 359 N ALA P 24 -8.708 4.317 -5.959 1.00 0.00 PROA
ATOM 360 HN ALA P 24 -9.654 4.263 -6.270 1.00 0.00 PROA
ATOM 361 CA ALA P 24 -7.886 5.458 -6.459 1.00 0.00 PROA
ATOM 362 HA ALA P 24 -7.095 5.063 -7.079 1.00 0.00 PROA
ATOM 363 CB ALA P 24 -8.779 6.404 -7.260 1.00 0.00 PROA
ATOM 364 HB1 ALA P 24 -9.597 6.794 -6.617 1.00 0.00 PROA
ATOM 365 HB2 ALA P 24 -9.231 5.862 -8.118 1.00 0.00 PROA
ATOM 366 HB3 ALA P 24 -8.181 7.263 -7.633 1.00 0.00 PROA
ATOM 367 C ALA P 24 -7.259 6.216 -5.287 1.00 0.00 PROA
ATOM 368 O ALA P 24 -6.061 6.419 -5.245 1.00 0.00 PROA
ATOM 369 N THR P 25 -8.080 6.621 -4.358 1.00 0.00 PROA
ATOM 370 HN THR P 25 -9.063 6.459 -4.385 1.00 0.00 PROA
ATOM 371 CA THR P 25 -7.539 7.367 -3.186 1.00 0.00 PROA
ATOM 372 HA THR P 25 -6.955 8.198 -3.551 1.00 0.00 PROA
ATOM 373 CB THR P 25 -8.702 7.863 -2.321 1.00 0.00 PROA
ATOM 374 HB THR P 25 -9.550 8.207 -2.951 1.00 0.00 PROA
ATOM 375 OG1 THR P 25 -8.164 8.955 -1.582 1.00 0.00 PROA
ATOM 376 HG1 THR P 25 -8.880 9.281 -1.032 1.00 0.00 PROA
ATOM 377 CG2 THR P 25 -9.107 6.829 -1.275 1.00 0.00 PROA
ATOM 378 HG21 THR P 25 -8.317 6.741 -0.499 1.00 0.00 PROA
ATOM 379 HG22 THR P 25 -9.243 5.837 -1.757 1.00 0.00 PROA
ATOM 380 HG23 THR P 25 -10.054 7.139 -0.783 1.00 0.00 PROA
ATOM 381 C THR P 25 -6.628 6.456 -2.356 1.00 0.00 PROA
ATOM 382 O THR P 25 -5.731 6.920 -1.681 1.00 0.00 PROA
ATOM 383 N ALA P 26 -6.878 5.175 -2.426 1.00 0.00 PROA
ATOM 384 HN ALA P 26 -7.614 4.788 -2.976 1.00 0.00 PROA
ATOM 385 CA ALA P 26 -6.028 4.225 -1.650 1.00 0.00 PROA
ATOM 386 HA ALA P 26 -5.953 4.586 -0.635 1.00 0.00 PROA
ATOM 387 CB ALA P 26 -6.664 2.836 -1.683 1.00 0.00 PROA
ATOM 388 HB1 ALA P 26 -6.585 2.404 -2.704 1.00 0.00 PROA
ATOM 389 HB2 ALA P 26 -7.739 2.906 -1.409 1.00 0.00 PROA
ATOM 390 HB3 ALA P 26 -6.140 2.163 -0.971 1.00 0.00 PROA
ATOM 391 C ALA P 26 -4.625 4.160 -2.263 1.00 0.00 PROA
ATOM 392 O ALA P 26 -3.639 4.083 -1.557 1.00 0.00 PROA
ATOM 393 N GLU P 27 -4.566 4.197 -3.569 1.00 0.00 PROA
ATOM 394 HN GLU P 27 -5.373 4.262 -4.151 1.00 0.00 PROA
ATOM 395 CA GLU P 27 -3.240 4.141 -4.246 1.00 0.00 PROA
ATOM 396 HA GLU P 27 -2.743 3.229 -3.951 1.00 0.00 PROA
ATOM 397 CB GLU P 27 -3.454 4.176 -5.758 1.00 0.00 PROA
ATOM 398 HB1 GLU P 27 -2.481 4.341 -6.269 1.00 0.00 PROA
ATOM 399 HB2 GLU P 27 -4.142 5.009 -6.019 1.00 0.00 PROA
ATOM 400 CG GLU P 27 -4.058 2.847 -6.217 1.00 0.00 PROA
ATOM 401 HG1 GLU P 27 -5.094 2.750 -5.829 1.00 0.00 PROA
ATOM 402 HG2 GLU P 27 -3.445 2.003 -5.835 1.00 0.00 PROA
ATOM 403 CD GLU P 27 -4.083 2.805 -7.746 1.00 0.00 PROA
ATOM 404 OE1 GLU P 27 -3.856 3.857 -8.321 1.00 0.00 PROA
ATOM 405 OE2 GLU P 27 -4.328 1.723 -8.254 1.00 0.00 PROA
ATOM 406 C GLU P 27 -2.382 5.340 -3.828 1.00 0.00 PROA
ATOM 407 O GLU P 27 -1.185 5.221 -3.659 1.00 0.00 PROA
ATOM 408 N LYS P 28 -3.015 6.470 -3.673 1.00 0.00 PROA
ATOM 409 HN LYS P 28 -3.998 6.570 -3.808 1.00 0.00 PROA
ATOM 410 CA LYS P 28 -2.252 7.690 -3.273 1.00 0.00 PROA
ATOM 411 HA LYS P 28 -1.295 7.675 -3.774 1.00 0.00 PROA
ATOM 412 CB LYS P 28 -3.053 8.928 -3.673 1.00 0.00 PROA
ATOM 413 HB1 LYS P 28 -2.532 9.843 -3.318 1.00 0.00 PROA
ATOM 414 HB2 LYS P 28 -4.062 8.887 -3.211 1.00 0.00 PROA
ATOM 415 CG LYS P 28 -3.184 8.967 -5.199 1.00 0.00 PROA
ATOM 416 HG1 LYS P 28 -2.976 7.959 -5.617 1.00 0.00 PROA
ATOM 417 HG2 LYS P 28 -2.450 9.688 -5.618 1.00 0.00 PROA
ATOM 418 CD LYS P 28 -4.605 9.399 -5.579 1.00 0.00 PROA
ATOM 419 HD1 LYS P 28 -5.340 8.686 -5.147 1.00 0.00 PROA
ATOM 420 HD2 LYS P 28 -4.712 9.399 -6.685 1.00 0.00 PROA
ATOM 421 CE LYS P 28 -4.873 10.806 -5.036 1.00 0.00 PROA
ATOM 422 HE1 LYS P 28 -3.943 11.413 -5.076 1.00 0.00 PROA
ATOM 423 HE2 LYS P 28 -5.246 10.746 -3.991 1.00 0.00 PROA
ATOM 424 NZ LYS P 28 -5.909 11.492 -5.859 1.00 0.00 PROA
ATOM 425 HZ1 LYS P 28 -6.793 10.945 -5.831 1.00 0.00 PROA
ATOM 426 HZ2 LYS P 28 -5.578 11.566 -6.842 1.00 0.00 PROA
ATOM 427 HZ3 LYS P 28 -6.079 12.445 -5.478 1.00 0.00 PROA
ATOM 428 C LYS P 28 -2.012 7.701 -1.759 1.00 0.00 PROA
ATOM 429 O LYS P 28 -0.940 8.046 -1.302 1.00 0.00 PROA
ATOM 430 N VAL P 29 -3.013 7.323 -1.014 1.00 0.00 PROA
ATOM 431 HN VAL P 29 -3.893 7.036 -1.383 1.00 0.00 PROA
ATOM 432 CA VAL P 29 -2.856 7.312 0.469 1.00 0.00 PROA
ATOM 433 HA VAL P 29 -2.684 8.325 0.802 1.00 0.00 PROA
ATOM 434 CB VAL P 29 -4.124 6.745 1.100 1.00 0.00 PROA
ATOM 435 HB VAL P 29 -4.441 5.834 0.549 1.00 0.00 PROA
ATOM 436 CG1 VAL P 29 -3.845 6.393 2.562 1.00 0.00 PROA
ATOM 437 HG11 VAL P 29 -3.206 7.173 3.027 1.00 0.00 PROA
ATOM 438 HG12 VAL P 29 -3.315 5.418 2.622 1.00 0.00 PROA
ATOM 439 HG13 VAL P 29 -4.800 6.335 3.126 1.00 0.00 PROA
ATOM 440 CG2 VAL P 29 -5.233 7.797 1.037 1.00 0.00 PROA
ATOM 441 HG21 VAL P 29 -5.200 8.329 0.062 1.00 0.00 PROA
ATOM 442 HG22 VAL P 29 -5.096 8.540 1.851 1.00 0.00 PROA
ATOM 443 HG23 VAL P 29 -6.225 7.307 1.140 1.00 0.00 PROA
ATOM 444 C VAL P 29 -1.658 6.449 0.869 1.00 0.00 PROA
ATOM 445 O VAL P 29 -0.759 6.907 1.548 1.00 0.00 PROA
ATOM 446 N PHE P 30 -1.666 5.217 0.439 1.00 0.00 PROA
ATOM 447 HN PHE P 30 -2.398 4.834 -0.119 1.00 0.00 PROA
ATOM 448 CA PHE P 30 -0.528 4.320 0.792 1.00 0.00 PROA
ATOM 449 HA PHE P 30 -0.426 4.308 1.867 1.00 0.00 PROA
ATOM 450 CB PHE P 30 -0.802 2.909 0.262 1.00 0.00 PROA
ATOM 451 HB1 PHE P 30 0.155 2.367 0.110 1.00 0.00 PROA
ATOM 452 HB2 PHE P 30 -1.365 2.964 -0.694 1.00 0.00 PROA
ATOM 453 CG PHE P 30 -1.647 2.113 1.269 1.00 0.00 PROA
ATOM 454 CD1 PHE P 30 -1.175 1.860 2.549 1.00 0.00 PROA
ATOM 455 HD1 PHE P 30 -0.204 2.228 2.846 1.00 0.00 PROA
ATOM 456 CE1 PHE P 30 -1.941 1.139 3.447 1.00 0.00 PROA
ATOM 457 HE1 PHE P 30 -1.567 0.948 4.442 1.00 0.00 PROA
ATOM 458 CZ PHE P 30 -3.175 0.665 3.077 1.00 0.00 PROA
ATOM 459 HZ PHE P 30 -3.770 0.099 3.779 1.00 0.00 PROA
ATOM 460 CD2 PHE P 30 -2.895 1.631 0.911 1.00 0.00 PROA
ATOM 461 HD2 PHE P 30 -3.279 1.820 -0.081 1.00 0.00 PROA
ATOM 462 CE2 PHE P 30 -3.652 0.911 1.813 1.00 0.00 PROA
ATOM 463 HE2 PHE P 30 -4.624 0.539 1.523 1.00 0.00 PROA
ATOM 464 C PHE P 30 0.769 4.851 0.169 1.00 0.00 PROA
ATOM 465 O PHE P 30 1.797 4.892 0.814 1.00 0.00 PROA
ATOM 466 N LYS P 31 0.697 5.245 -1.075 1.00 0.00 PROA
ATOM 467 HN LYS P 31 -0.141 5.214 -1.614 1.00 0.00 PROA
ATOM 468 CA LYS P 31 1.924 5.773 -1.741 1.00 0.00 PROA
ATOM 469 HA LYS P 31 2.643 4.971 -1.815 1.00 0.00 PROA
ATOM 470 CB LYS P 31 1.560 6.300 -3.128 1.00 0.00 PROA
ATOM 471 HB1 LYS P 31 0.797 7.102 -3.036 1.00 0.00 PROA
ATOM 472 HB2 LYS P 31 1.141 5.476 -3.744 1.00 0.00 PROA
ATOM 473 CG LYS P 31 2.818 6.858 -3.798 1.00 0.00 PROA
ATOM 474 HG1 LYS P 31 3.716 6.553 -3.220 1.00 0.00 PROA
ATOM 475 HG2 LYS P 31 2.768 7.968 -3.824 1.00 0.00 PROA
ATOM 476 CD LYS P 31 2.913 6.313 -5.225 1.00 0.00 PROA
ATOM 477 HD1 LYS P 31 1.946 6.466 -5.750 1.00 0.00 PROA
ATOM 478 HD2 LYS P 31 3.138 5.225 -5.197 1.00 0.00 PROA
ATOM 479 CE LYS P 31 4.027 7.051 -5.971 1.00 0.00 PROA
ATOM 480 HE1 LYS P 31 4.328 6.475 -6.872 1.00 0.00 PROA
ATOM 481 HE2 LYS P 31 4.901 7.197 -5.301 1.00 0.00 PROA
ATOM 482 NZ LYS P 31 3.558 8.393 -6.417 1.00 0.00 PROA
ATOM 483 HZ1 LYS P 31 3.277 8.956 -5.589 1.00 0.00 PROA
ATOM 484 HZ2 LYS P 31 2.743 8.282 -7.053 1.00 0.00 PROA
ATOM 485 HZ3 LYS P 31 4.327 8.879 -6.921 1.00 0.00 PROA
ATOM 486 C LYS P 31 2.521 6.902 -0.903 1.00 0.00 PROA
ATOM 487 O LYS P 31 3.724 7.036 -0.802 1.00 0.00 PROA
ATOM 488 N GLN P 32 1.664 7.692 -0.318 1.00 0.00 PROA
ATOM 489 HN GLN P 32 0.676 7.589 -0.405 1.00 0.00 PROA
ATOM 490 CA GLN P 32 2.162 8.811 0.528 1.00 0.00 PROA
ATOM 491 HA GLN P 32 2.870 9.387 -0.049 1.00 0.00 PROA
ATOM 492 CB GLN P 32 0.977 9.679 0.954 1.00 0.00 PROA
ATOM 493 HB1 GLN P 32 0.370 9.138 1.710 1.00 0.00 PROA
ATOM 494 HB2 GLN P 32 0.338 9.899 0.072 1.00 0.00 PROA
ATOM 495 CG GLN P 32 1.498 10.987 1.552 1.00 0.00 PROA
ATOM 496 HG1 GLN P 32 2.470 10.809 2.059 1.00 0.00 PROA
ATOM 497 HG2 GLN P 32 0.768 11.380 2.292 1.00 0.00 PROA
ATOM 498 CD GLN P 32 1.689 12.012 0.432 1.00 0.00 PROA
ATOM 499 OE1 GLN P 32 0.814 12.229 -0.382 1.00 0.00 PROA
ATOM 500 NE2 GLN P 32 2.817 12.664 0.356 1.00 0.00 PROA
ATOM 501 HE21 GLN P 32 2.957 13.337 -0.370 1.00 0.00 PROA
ATOM 502 HE22 GLN P 32 3.541 12.490 1.024 1.00 0.00 PROA
ATOM 503 C GLN P 32 2.864 8.248 1.766 1.00 0.00 PROA
ATOM 504 O GLN P 32 3.748 8.870 2.321 1.00 0.00 PROA
ATOM 505 N TYR P 33 2.453 7.076 2.171 1.00 0.00 PROA
ATOM 506 HN TYR P 33 1.726 6.565 1.719 1.00 0.00 PROA
ATOM 507 CA TYR P 33 3.087 6.449 3.367 1.00 0.00 PROA
ATOM 508 HA TYR P 33 3.263 7.219 4.104 1.00 0.00 PROA
ATOM 509 CB TYR P 33 2.153 5.373 3.922 1.00 0.00 PROA
ATOM 510 HB1 TYR P 33 1.898 4.637 3.130 1.00 0.00 PROA
ATOM 511 HB2 TYR P 33 1.227 5.836 4.326 1.00 0.00 PROA
ATOM 512 CG TYR P 33 2.858 4.632 5.060 1.00 0.00 PROA
ATOM 513 CD1 TYR P 33 3.761 3.627 4.784 1.00 0.00 PROA
ATOM 514 HD1 TYR P 33 3.972 3.363 3.758 1.00 0.00 PROA
ATOM 515 CE1 TYR P 33 4.397 2.957 5.808 1.00 0.00 PROA
ATOM 516 HE1 TYR P 33 5.101 2.171 5.578 1.00 0.00 PROA
ATOM 517 CZ TYR P 33 4.141 3.283 7.124 1.00 0.00 PROA
ATOM 518 OH TYR P 33 4.779 2.613 8.148 1.00 0.00 PROA
ATOM 519 HH TYR P 33 5.566 2.198 7.786 1.00 0.00 PROA
ATOM 520 CD2 TYR P 33 2.601 4.959 6.376 1.00 0.00 PROA
ATOM 521 HD2 TYR P 33 1.896 5.745 6.606 1.00 0.00 PROA
ATOM 522 CE2 TYR P 33 3.238 4.289 7.400 1.00 0.00 PROA
ATOM 523 HE2 TYR P 33 3.028 4.554 8.426 1.00 0.00 PROA
ATOM 524 C TYR P 33 4.428 5.815 2.979 1.00 0.00 PROA
ATOM 525 O TYR P 33 5.450 6.110 3.566 1.00 0.00 PROA
ATOM 526 N ALA P 34 4.392 4.958 1.998 1.00 0.00 PROA
ATOM 527 HN ALA P 34 3.554 4.713 1.517 1.00 0.00 PROA
ATOM 528 CA ALA P 34 5.655 4.296 1.553 1.00 0.00 PROA
ATOM 529 HA ALA P 34 5.977 3.617 2.328 1.00 0.00 PROA
ATOM 530 CB ALA P 34 5.391 3.543 0.251 1.00 0.00 PROA
ATOM 531 HB1 ALA P 34 4.590 4.051 -0.328 1.00 0.00 PROA
ATOM 532 HB2 ALA P 34 5.064 2.505 0.474 1.00 0.00 PROA
ATOM 533 HB3 ALA P 34 6.315 3.519 -0.366 1.00 0.00 PROA
ATOM 534 C ALA P 34 6.747 5.346 1.321 1.00 0.00 PROA
ATOM 535 O ALA P 34 7.920 5.072 1.481 1.00 0.00 PROA
ATOM 536 N ASN P 35 6.335 6.526 0.948 1.00 0.00 PROA
ATOM 537 HN ASN P 35 5.373 6.753 0.817 1.00 0.00 PROA
ATOM 538 CA ASN P 35 7.333 7.607 0.699 1.00 0.00 PROA
ATOM 539 HA ASN P 35 8.067 7.240 -0.003 1.00 0.00 PROA
ATOM 540 CB ASN P 35 6.612 8.830 0.136 1.00 0.00 PROA
ATOM 541 HB1 ASN P 35 5.985 9.295 0.927 1.00 0.00 PROA
ATOM 542 HB2 ASN P 35 5.962 8.527 -0.712 1.00 0.00 PROA
ATOM 543 CG ASN P 35 7.646 9.846 -0.355 1.00 0.00 PROA
ATOM 544 OD1 ASN P 35 8.378 9.599 -1.293 1.00 0.00 PROA
ATOM 545 ND2 ASN P 35 7.739 10.998 0.251 1.00 0.00 PROA
ATOM 546 HD21 ASN P 35 8.409 11.673 -0.058 1.00 0.00 PROA
ATOM 547 HD22 ASN P 35 7.140 11.206 1.024 1.00 0.00 PROA
ATOM 548 C ASN P 35 8.040 7.987 2.004 1.00 0.00 PROA
ATOM 549 O ASN P 35 9.203 8.340 2.004 1.00 0.00 PROA
ATOM 550 N ASP P 36 7.321 7.905 3.090 1.00 0.00 PROA
ATOM 551 HN ASP P 36 6.368 7.613 3.095 1.00 0.00 PROA
ATOM 552 CA ASP P 36 7.935 8.261 4.404 1.00 0.00 PROA
ATOM 553 HA ASP P 36 8.432 9.214 4.302 1.00 0.00 PROA
ATOM 554 CB ASP P 36 6.839 8.336 5.465 1.00 0.00 PROA
ATOM 555 HB1 ASP P 36 7.288 8.246 6.477 1.00 0.00 PROA
ATOM 556 HB2 ASP P 36 6.111 7.510 5.314 1.00 0.00 PROA
ATOM 557 CG ASP P 36 6.114 9.679 5.349 1.00 0.00 PROA
ATOM 558 OD1 ASP P 36 6.773 10.673 5.604 1.00 0.00 PROA
ATOM 559 OD2 ASP P 36 4.942 9.634 5.012 1.00 0.00 PROA
ATOM 560 C ASP P 36 8.973 7.208 4.814 1.00 0.00 PROA
ATOM 561 O ASP P 36 9.514 7.262 5.902 1.00 0.00 PROA
ATOM 562 N ASN P 37 9.223 6.272 3.932 1.00 0.00 PROA
ATOM 563 HN ASN P 37 8.774 6.228 3.043 1.00 0.00 PROA
ATOM 564 CA ASN P 37 10.226 5.203 4.244 1.00 0.00 PROA
ATOM 565 HA ASN P 37 10.768 5.492 5.132 1.00 0.00 PROA
ATOM 566 CB ASN P 37 9.496 3.878 4.465 1.00 0.00 PROA
ATOM 567 HB1 ASN P 37 10.234 3.060 4.607 1.00 0.00 PROA
ATOM 568 HB2 ASN P 37 8.861 3.646 3.584 1.00 0.00 PROA
ATOM 569 CG ASN P 37 8.615 3.988 5.711 1.00 0.00 PROA
ATOM 570 OD1 ASN P 37 8.880 3.378 6.728 1.00 0.00 PROA
ATOM 571 ND2 ASN P 37 7.559 4.754 5.675 1.00 0.00 PROA
ATOM 572 HD21 ASN P 37 6.973 4.836 6.481 1.00 0.00 PROA
ATOM 573 HD22 ASN P 37 7.336 5.259 4.841 1.00 0.00 PROA
ATOM 574 C ASN P 37 11.217 5.050 3.084 1.00 0.00 PROA
ATOM 575 O ASN P 37 12.339 4.625 3.277 1.00 0.00 PROA
ATOM 576 N GLY P 38 10.778 5.401 1.903 1.00 0.00 PROA
ATOM 577 HN GLY P 38 9.857 5.749 1.744 1.00 0.00 PROA
ATOM 578 CA GLY P 38 11.677 5.286 0.718 1.00 0.00 PROA
ATOM 579 HA1 GLY P 38 12.698 5.232 1.067 1.00 0.00 PROA
ATOM 580 HA2 GLY P 38 11.541 6.160 0.099 1.00 0.00 PROA
ATOM 581 C GLY P 38 11.343 4.029 -0.088 1.00 0.00 PROA
ATOM 582 O GLY P 38 12.215 3.240 -0.398 1.00 0.00 PROA
ATOM 583 N VAL P 39 10.082 3.872 -0.408 1.00 0.00 PROA
ATOM 584 HN VAL P 39 9.371 4.521 -0.148 1.00 0.00 PROA
ATOM 585 CA VAL P 39 9.654 2.674 -1.200 1.00 0.00 PROA
ATOM 586 HA VAL P 39 10.538 2.146 -1.527 1.00 0.00 PROA
ATOM 587 CB VAL P 39 8.785 1.778 -0.316 1.00 0.00 PROA
ATOM 588 HB VAL P 39 7.810 2.275 -0.122 1.00 0.00 PROA
ATOM 589 CG1 VAL P 39 8.551 0.443 -1.028 1.00 0.00 PROA
ATOM 590 HG11 VAL P 39 9.518 0.024 -1.381 1.00 0.00 PROA
ATOM 591 HG12 VAL P 39 7.888 0.594 -1.906 1.00 0.00 PROA
ATOM 592 HG13 VAL P 39 8.085 -0.282 -0.328 1.00 0.00 PROA
ATOM 593 CG2 VAL P 39 9.510 1.523 1.007 1.00 0.00 PROA
ATOM 594 HG21 VAL P 39 9.539 2.454 1.612 1.00 0.00 PROA
ATOM 595 HG22 VAL P 39 10.553 1.196 0.810 1.00 0.00 PROA
ATOM 596 HG23 VAL P 39 8.976 0.740 1.586 1.00 0.00 PROA
ATOM 597 C VAL P 39 8.848 3.117 -2.426 1.00 0.00 PROA
ATOM 598 O VAL P 39 7.652 3.318 -2.344 1.00 0.00 PROA
ATOM 599 N ASP P 40 9.528 3.258 -3.538 1.00 0.00 PROA
ATOM 600 HN ASP P 40 10.509 3.090 -3.602 1.00 0.00 PROA
ATOM 601 CA ASP P 40 8.827 3.690 -4.789 1.00 0.00 PROA
ATOM 602 HA ASP P 40 7.762 3.601 -4.632 1.00 0.00 PROA
ATOM 603 CB ASP P 40 9.208 5.139 -5.101 1.00 0.00 PROA
ATOM 604 HB1 ASP P 40 8.693 5.473 -6.027 1.00 0.00 PROA
ATOM 605 HB2 ASP P 40 10.307 5.216 -5.247 1.00 0.00 PROA
ATOM 606 CG ASP P 40 8.787 6.035 -3.935 1.00 0.00 PROA
ATOM 607 OD1 ASP P 40 9.169 5.697 -2.827 1.00 0.00 PROA
ATOM 608 OD2 ASP P 40 8.107 7.008 -4.219 1.00 0.00 PROA
ATOM 609 C ASP P 40 9.236 2.793 -5.962 1.00 0.00 PROA
ATOM 610 O ASP P 40 10.392 2.738 -6.332 1.00 0.00 PROA
ATOM 611 N GLY P 41 8.275 2.108 -6.519 1.00 0.00 PROA
ATOM 612 HN GLY P 41 7.327 2.149 -6.214 1.00 0.00 PROA
ATOM 613 CA GLY P 41 8.583 1.213 -7.670 1.00 0.00 PROA
ATOM 614 HA1 GLY P 41 9.151 0.369 -7.307 1.00 0.00 PROA
ATOM 615 HA2 GLY P 41 9.162 1.769 -8.392 1.00 0.00 PROA
ATOM 616 C GLY P 41 7.287 0.722 -8.317 1.00 0.00 PROA
ATOM 617 O GLY P 41 6.571 1.487 -8.932 1.00 0.00 PROA
ATOM 618 N GLU P 42 7.014 -0.545 -8.162 1.00 0.00 PROA
ATOM 619 HN GLU P 42 7.604 -1.174 -7.661 1.00 0.00 PROA
ATOM 620 CA GLU P 42 5.765 -1.105 -8.753 1.00 0.00 PROA
ATOM 621 HA GLU P 42 5.430 -0.441 -9.536 1.00 0.00 PROA
ATOM 622 CB GLU P 42 6.054 -2.489 -9.311 1.00 0.00 PROA
ATOM 623 HB1 GLU P 42 5.161 -2.869 -9.852 1.00 0.00 PROA
ATOM 624 HB2 GLU P 42 6.293 -3.186 -8.479 1.00 0.00 PROA
ATOM 625 CG GLU P 42 7.242 -2.407 -10.272 1.00 0.00 PROA
ATOM 626 HG1 GLU P 42 8.083 -3.021 -9.885 1.00 0.00 PROA
ATOM 627 HG2 GLU P 42 7.576 -1.352 -10.369 1.00 0.00 PROA
ATOM 628 CD GLU P 42 6.818 -2.934 -11.644 1.00 0.00 PROA
ATOM 629 OE1 GLU P 42 6.254 -2.140 -12.379 1.00 0.00 PROA
ATOM 630 OE2 GLU P 42 7.081 -4.102 -11.880 1.00 0.00 PROA
ATOM 631 C GLU P 42 4.692 -1.213 -7.673 1.00 0.00 PROA
ATOM 632 O GLU P 42 5.001 -1.443 -6.522 1.00 0.00 PROA
ATOM 633 N TRP P 43 3.457 -1.056 -8.070 1.00 0.00 PROA
ATOM 634 HN TRP P 43 3.207 -0.886 -9.020 1.00 0.00 PROA
ATOM 635 CA TRP P 43 2.343 -1.130 -7.075 1.00 0.00 PROA
ATOM 636 HA TRP P 43 2.751 -1.433 -6.122 1.00 0.00 PROA
ATOM 637 CB TRP P 43 1.697 0.244 -6.975 1.00 0.00 PROA
ATOM 638 HB1 TRP P 43 0.683 0.156 -6.529 1.00 0.00 PROA
ATOM 639 HB2 TRP P 43 1.613 0.699 -7.985 1.00 0.00 PROA
ATOM 640 CG TRP P 43 2.573 1.127 -6.086 1.00 0.00 PROA
ATOM 641 CD1 TRP P 43 3.740 1.623 -6.479 1.00 0.00 PROA
ATOM 642 HD1 TRP P 43 4.222 1.510 -7.437 1.00 0.00 PROA
ATOM 643 NE1 TRP P 43 4.179 2.297 -5.406 1.00 0.00 PROA
ATOM 644 HE1 TRP P 43 5.027 2.777 -5.396 1.00 0.00 PROA
ATOM 645 CE2 TRP P 43 3.336 2.255 -4.322 1.00 0.00 PROA
ATOM 646 CD2 TRP P 43 2.306 1.476 -4.830 1.00 0.00 PROA
ATOM 647 CE3 TRP P 43 1.220 1.177 -4.011 1.00 0.00 PROA
ATOM 648 HE3 TRP P 43 0.401 0.575 -4.374 1.00 0.00 PROA
ATOM 649 CZ3 TRP P 43 1.176 1.650 -2.715 1.00 0.00 PROA
ATOM 650 HZ3 TRP P 43 0.332 1.414 -2.084 1.00 0.00 PROA
ATOM 651 CZ2 TRP P 43 3.284 2.724 -3.026 1.00 0.00 PROA
ATOM 652 HZ2 TRP P 43 4.081 3.331 -2.623 1.00 0.00 PROA
ATOM 653 CH2 TRP P 43 2.205 2.421 -2.224 1.00 0.00 PROA
ATOM 654 HH2 TRP P 43 2.167 2.789 -1.209 1.00 0.00 PROA
ATOM 655 C TRP P 43 1.302 -2.160 -7.508 1.00 0.00 PROA
ATOM 656 O TRP P 43 0.940 -2.232 -8.665 1.00 0.00 PROA
ATOM 657 N THR P 44 0.846 -2.936 -6.556 1.00 0.00 PROA
ATOM 658 HN THR P 44 1.148 -2.869 -5.608 1.00 0.00 PROA
ATOM 659 CA THR P 44 -0.177 -3.982 -6.872 1.00 0.00 PROA
ATOM 660 HA THR P 44 -0.449 -3.891 -7.913 1.00 0.00 PROA
ATOM 661 CB THR P 44 0.417 -5.364 -6.586 1.00 0.00 PROA
ATOM 662 HB THR P 44 -0.384 -6.119 -6.436 1.00 0.00 PROA
ATOM 663 OG1 THR P 44 1.166 -5.198 -5.386 1.00 0.00 PROA
ATOM 664 HG1 THR P 44 0.937 -4.328 -5.050 1.00 0.00 PROA
ATOM 665 CG2 THR P 44 1.438 -5.765 -7.646 1.00 0.00 PROA
ATOM 666 HG21 THR P 44 2.271 -5.030 -7.671 1.00 0.00 PROA
ATOM 667 HG22 THR P 44 0.955 -5.789 -8.646 1.00 0.00 PROA
ATOM 668 HG23 THR P 44 1.856 -6.767 -7.409 1.00 0.00 PROA
ATOM 669 C THR P 44 -1.437 -3.780 -6.019 1.00 0.00 PROA
ATOM 670 O THR P 44 -1.434 -3.037 -5.058 1.00 0.00 PROA
ATOM 671 N TYR P 45 -2.486 -4.453 -6.402 1.00 0.00 PROA
ATOM 672 HN TYR P 45 -2.481 -5.060 -7.193 1.00 0.00 PROA
ATOM 673 CA TYR P 45 -3.771 -4.336 -5.649 1.00 0.00 PROA
ATOM 674 HA TYR P 45 -3.558 -3.974 -4.654 1.00 0.00 PROA
ATOM 675 CB TYR P 45 -4.683 -3.354 -6.409 1.00 0.00 PROA
ATOM 676 HB1 TYR P 45 -5.144 -3.869 -7.279 1.00 0.00 PROA
ATOM 677 HB2 TYR P 45 -4.088 -2.482 -6.754 1.00 0.00 PROA
ATOM 678 CG TYR P 45 -5.834 -2.816 -5.514 1.00 0.00 PROA
ATOM 679 CD1 TYR P 45 -6.710 -3.665 -4.843 1.00 0.00 PROA
ATOM 680 HD1 TYR P 45 -6.598 -4.735 -4.938 1.00 0.00 PROA
ATOM 681 CE1 TYR P 45 -7.721 -3.149 -4.057 1.00 0.00 PROA
ATOM 682 HE1 TYR P 45 -8.390 -3.819 -3.538 1.00 0.00 PROA
ATOM 683 CZ TYR P 45 -7.884 -1.789 -3.928 1.00 0.00 PROA
ATOM 684 OH TYR P 45 -8.900 -1.276 -3.148 1.00 0.00 PROA
ATOM 685 HH TYR P 45 -9.563 -1.961 -3.036 1.00 0.00 PROA
ATOM 686 CD2 TYR P 45 -6.009 -1.456 -5.377 1.00 0.00 PROA
ATOM 687 HD2 TYR P 45 -5.342 -0.779 -5.890 1.00 0.00 PROA
ATOM 688 CE2 TYR P 45 -7.024 -0.948 -4.594 1.00 0.00 PROA
ATOM 689 HE2 TYR P 45 -7.145 0.121 -4.503 1.00 0.00 PROA
ATOM 690 C TYR P 45 -4.430 -5.718 -5.575 1.00 0.00 PROA
ATOM 691 O TYR P 45 -4.613 -6.372 -6.583 1.00 0.00 PROA
ATOM 692 N ASP P 46 -4.769 -6.130 -4.381 1.00 0.00 PROA
ATOM 693 HN ASP P 46 -4.610 -5.595 -3.555 1.00 0.00 PROA
ATOM 694 CA ASP P 46 -5.428 -7.463 -4.213 1.00 0.00 PROA
ATOM 695 HA ASP P 46 -5.326 -8.014 -5.136 1.00 0.00 PROA
ATOM 696 CB ASP P 46 -4.758 -8.209 -3.063 1.00 0.00 PROA
ATOM 697 HB1 ASP P 46 -5.134 -7.821 -2.092 1.00 0.00 PROA
ATOM 698 HB2 ASP P 46 -3.657 -8.065 -3.111 1.00 0.00 PROA
ATOM 699 CG ASP P 46 -5.079 -9.701 -3.171 1.00 0.00 PROA
ATOM 700 OD1 ASP P 46 -5.981 -10.007 -3.934 1.00 0.00 PROA
ATOM 701 OD2 ASP P 46 -4.404 -10.450 -2.485 1.00 0.00 PROA
ATOM 702 C ASP P 46 -6.918 -7.275 -3.896 1.00 0.00 PROA
ATOM 703 O ASP P 46 -7.348 -7.468 -2.776 1.00 0.00 PROA
ATOM 704 N ASP P 47 -7.675 -6.902 -4.890 1.00 0.00 PROA
ATOM 705 HN ASP P 47 -7.331 -6.745 -5.812 1.00 0.00 PROA
ATOM 706 CA ASP P 47 -9.135 -6.693 -4.658 1.00 0.00 PROA
ATOM 707 HA ASP P 47 -9.255 -6.014 -3.827 1.00 0.00 PROA
ATOM 708 CB ASP P 47 -9.765 -6.113 -5.924 1.00 0.00 PROA
ATOM 709 HB1 ASP P 47 -9.872 -6.910 -6.691 1.00 0.00 PROA
ATOM 710 HB2 ASP P 47 -9.121 -5.302 -6.328 1.00 0.00 PROA
ATOM 711 CG ASP P 47 -11.145 -5.545 -5.587 1.00 0.00 PROA
ATOM 712 OD1 ASP P 47 -11.204 -4.803 -4.621 1.00 0.00 PROA
ATOM 713 OD2 ASP P 47 -12.063 -5.887 -6.314 1.00 0.00 PROA
ATOM 714 C ASP P 47 -9.817 -8.022 -4.309 1.00 0.00 PROA
ATOM 715 O ASP P 47 -11.022 -8.087 -4.169 1.00 0.00 PROA
ATOM 716 N ALA P 48 -9.029 -9.055 -4.174 1.00 0.00 PROA
ATOM 717 HN ALA P 48 -8.040 -9.008 -4.287 1.00 0.00 PROA
ATOM 718 CA ALA P 48 -9.617 -10.385 -3.833 1.00 0.00 PROA
ATOM 719 HA ALA P 48 -10.605 -10.443 -4.266 1.00 0.00 PROA
ATOM 720 CB ALA P 48 -8.717 -11.486 -4.391 1.00 0.00 PROA
ATOM 721 HB1 ALA P 48 -7.763 -11.523 -3.823 1.00 0.00 PROA
ATOM 722 HB2 ALA P 48 -8.487 -11.281 -5.458 1.00 0.00 PROA
ATOM 723 HB3 ALA P 48 -9.223 -12.471 -4.299 1.00 0.00 PROA
ATOM 724 C ALA P 48 -9.733 -10.543 -2.313 1.00 0.00 PROA
ATOM 725 O ALA P 48 -10.513 -11.338 -1.828 1.00 0.00 PROA
ATOM 726 N THR P 49 -8.953 -9.783 -1.593 1.00 0.00 PROA
ATOM 727 HN THR P 49 -8.311 -9.129 -1.986 1.00 0.00 PROA
ATOM 728 CA THR P 49 -9.008 -9.880 -0.103 1.00 0.00 PROA
ATOM 729 HA THR P 49 -9.991 -10.226 0.181 1.00 0.00 PROA
ATOM 730 CB THR P 49 -7.931 -10.858 0.378 1.00 0.00 PROA
ATOM 731 HB THR P 49 -7.905 -10.909 1.487 1.00 0.00 PROA
ATOM 732 OG1 THR P 49 -6.708 -10.324 -0.119 1.00 0.00 PROA
ATOM 733 HG1 THR P 49 -6.660 -10.587 -1.041 1.00 0.00 PROA
ATOM 734 CG2 THR P 49 -8.073 -12.227 -0.285 1.00 0.00 PROA
ATOM 735 HG21 THR P 49 -7.802 -12.160 -1.360 1.00 0.00 PROA
ATOM 736 HG22 THR P 49 -9.124 -12.579 -0.205 1.00 0.00 PROA
ATOM 737 HG23 THR P 49 -7.395 -12.957 0.207 1.00 0.00 PROA
ATOM 738 C THR P 49 -8.765 -8.503 0.526 1.00 0.00 PROA
ATOM 739 O THR P 49 -8.463 -8.398 1.698 1.00 0.00 PROA
ATOM 740 N LYS P 50 -8.900 -7.477 -0.270 1.00 0.00 PROA
ATOM 741 HN LYS P 50 -9.146 -7.561 -1.232 1.00 0.00 PROA
ATOM 742 CA LYS P 50 -8.681 -6.098 0.261 1.00 0.00 PROA
ATOM 743 HA LYS P 50 -8.734 -5.403 -0.564 1.00 0.00 PROA
ATOM 744 CB LYS P 50 -9.754 -5.779 1.304 1.00 0.00 PROA
ATOM 745 HB1 LYS P 50 -9.674 -4.714 1.610 1.00 0.00 PROA
ATOM 746 HB2 LYS P 50 -9.609 -6.421 2.199 1.00 0.00 PROA
ATOM 747 CG LYS P 50 -11.137 -6.040 0.700 1.00 0.00 PROA
ATOM 748 HG1 LYS P 50 -11.189 -7.083 0.320 1.00 0.00 PROA
ATOM 749 HG2 LYS P 50 -11.315 -5.341 -0.145 1.00 0.00 PROA
ATOM 750 CD LYS P 50 -12.204 -5.829 1.777 1.00 0.00 PROA
ATOM 751 HD1 LYS P 50 -13.042 -5.229 1.363 1.00 0.00 PROA
ATOM 752 HD2 LYS P 50 -11.764 -5.284 2.639 1.00 0.00 PROA
ATOM 753 CE LYS P 50 -12.722 -7.192 2.237 1.00 0.00 PROA
ATOM 754 HE1 LYS P 50 -13.261 -7.695 1.406 1.00 0.00 PROA
ATOM 755 HE2 LYS P 50 -13.397 -7.068 3.110 1.00 0.00 PROA
ATOM 756 NZ LYS P 50 -11.588 -8.065 2.649 1.00 0.00 PROA
ATOM 757 HZ1 LYS P 50 -11.286 -7.811 3.611 1.00 0.00 PROA
ATOM 758 HZ2 LYS P 50 -10.793 -7.935 1.991 1.00 0.00 PROA
ATOM 759 HZ3 LYS P 50 -11.892 -9.059 2.632 1.00 0.00 PROA
ATOM 760 C LYS P 50 -7.292 -5.994 0.899 1.00 0.00 PROA
ATOM 761 O LYS P 50 -7.162 -5.705 2.072 1.00 0.00 PROA
ATOM 762 N THR P 51 -6.288 -6.235 0.103 1.00 0.00 PROA
ATOM 763 HN THR P 51 -6.402 -6.471 -0.859 1.00 0.00 PROA
ATOM 764 CA THR P 51 -4.889 -6.164 0.622 1.00 0.00 PROA
ATOM 765 HA THR P 51 -4.893 -5.621 1.555 1.00 0.00 PROA
ATOM 766 CB THR P 51 -4.382 -7.596 0.825 1.00 0.00 PROA
ATOM 767 HB THR P 51 -4.060 -8.046 -0.138 1.00 0.00 PROA
ATOM 768 OG1 THR P 51 -5.500 -8.305 1.349 1.00 0.00 PROA
ATOM 769 HG1 THR P 51 -5.784 -8.903 0.654 1.00 0.00 PROA
ATOM 770 CG2 THR P 51 -3.313 -7.681 1.906 1.00 0.00 PROA
ATOM 771 HG21 THR P 51 -3.765 -7.501 2.905 1.00 0.00 PROA
ATOM 772 HG22 THR P 51 -2.531 -6.912 1.726 1.00 0.00 PROA
ATOM 773 HG23 THR P 51 -2.852 -8.692 1.903 1.00 0.00 PROA
ATOM 774 C THR P 51 -3.991 -5.450 -0.405 1.00 0.00 PROA
ATOM 775 O THR P 51 -3.755 -5.966 -1.479 1.00 0.00 PROA
ATOM 776 N PHE P 52 -3.508 -4.279 -0.063 1.00 0.00 PROA
ATOM 777 HN PHE P 52 -3.697 -3.838 0.811 1.00 0.00 PROA
ATOM 778 CA PHE P 52 -2.630 -3.559 -1.021 1.00 0.00 PROA
ATOM 779 HA PHE P 52 -3.038 -3.680 -2.013 1.00 0.00 PROA
ATOM 780 CB PHE P 52 -2.568 -2.091 -0.645 1.00 0.00 PROA
ATOM 781 HB1 PHE P 52 -1.511 -1.761 -0.554 1.00 0.00 PROA
ATOM 782 HB2 PHE P 52 -3.106 -1.915 0.311 1.00 0.00 PROA
ATOM 783 CG PHE P 52 -3.239 -1.259 -1.734 1.00 0.00 PROA
ATOM 784 CD1 PHE P 52 -2.548 -0.886 -2.874 1.00 0.00 PROA
ATOM 785 HD1 PHE P 52 -1.519 -1.189 -3.003 1.00 0.00 PROA
ATOM 786 CE1 PHE P 52 -3.170 -0.128 -3.846 1.00 0.00 PROA
ATOM 787 HE1 PHE P 52 -2.632 0.153 -4.740 1.00 0.00 PROA
ATOM 788 CZ PHE P 52 -4.475 0.269 -3.674 1.00 0.00 PROA
ATOM 789 HZ PHE P 52 -4.959 0.877 -4.424 1.00 0.00 PROA
ATOM 790 CD2 PHE P 52 -4.545 -0.870 -1.588 1.00 0.00 PROA
ATOM 791 HD2 PHE P 52 -5.095 -1.167 -0.707 1.00 0.00 PROA
ATOM 792 CE2 PHE P 52 -5.162 -0.108 -2.547 1.00 0.00 PROA
ATOM 793 HE2 PHE P 52 -6.190 0.196 -2.415 1.00 0.00 PROA
ATOM 794 C PHE P 52 -1.220 -4.148 -0.952 1.00 0.00 PROA
ATOM 795 O PHE P 52 -0.878 -4.820 0.000 1.00 0.00 PROA
ATOM 796 N THR P 53 -0.429 -3.891 -1.950 1.00 0.00 PROA
ATOM 797 HN THR P 53 -0.697 -3.346 -2.740 1.00 0.00 PROA
ATOM 798 CA THR P 53 0.953 -4.434 -1.924 1.00 0.00 PROA
ATOM 799 HA THR P 53 1.340 -4.338 -0.920 1.00 0.00 PROA
ATOM 800 CB THR P 53 0.917 -5.899 -2.352 1.00 0.00 PROA
ATOM 801 HB THR P 53 0.392 -6.018 -3.323 1.00 0.00 PROA
ATOM 802 OG1 THR P 53 0.195 -6.561 -1.318 1.00 0.00 PROA
ATOM 803 HG1 THR P 53 -0.304 -5.878 -0.864 1.00 0.00 PROA
ATOM 804 CG2 THR P 53 2.309 -6.523 -2.335 1.00 0.00 PROA
ATOM 805 HG21 THR P 53 2.809 -6.315 -1.365 1.00 0.00 PROA
ATOM 806 HG22 THR P 53 2.927 -6.092 -3.152 1.00 0.00 PROA
ATOM 807 HG23 THR P 53 2.232 -7.624 -2.466 1.00 0.00 PROA
ATOM 808 C THR P 53 1.851 -3.649 -2.875 1.00 0.00 PROA
ATOM 809 O THR P 53 1.457 -3.322 -3.971 1.00 0.00 PROA
ATOM 810 N VAL P 54 3.040 -3.359 -2.425 1.00 0.00 PROA
ATOM 811 HN VAL P 54 3.355 -3.618 -1.515 1.00 0.00 PROA
ATOM 812 CA VAL P 54 3.996 -2.606 -3.285 1.00 0.00 PROA
ATOM 813 HA VAL P 54 3.643 -2.647 -4.305 1.00 0.00 PROA
ATOM 814 CB VAL P 54 4.077 -1.152 -2.797 1.00 0.00 PROA
ATOM 815 HB VAL P 54 3.054 -0.725 -2.724 1.00 0.00 PROA
ATOM 816 CG1 VAL P 54 4.745 -1.115 -1.432 1.00 0.00 PROA
ATOM 817 HG11 VAL P 54 5.823 -1.365 -1.528 1.00 0.00 PROA
ATOM 818 HG12 VAL P 54 4.268 -1.857 -0.757 1.00 0.00 PROA
ATOM 819 HG13 VAL P 54 4.654 -0.098 -0.994 1.00 0.00 PROA
ATOM 820 CG2 VAL P 54 4.903 -0.317 -3.776 1.00 0.00 PROA
ATOM 821 HG21 VAL P 54 4.346 -0.183 -4.728 1.00 0.00 PROA
ATOM 822 HG22 VAL P 54 5.863 -0.832 -3.996 1.00 0.00 PROA
ATOM 823 HG23 VAL P 54 5.107 0.684 -3.340 1.00 0.00 PROA
ATOM 824 C VAL P 54 5.370 -3.273 -3.189 1.00 0.00 PROA
ATOM 825 O VAL P 54 5.701 -3.863 -2.179 1.00 0.00 PROA
ATOM 826 N THR P 55 6.137 -3.172 -4.233 1.00 0.00 PROA
ATOM 827 HN THR P 55 5.873 -2.683 -5.061 1.00 0.00 PROA
ATOM 828 CA THR P 55 7.485 -3.812 -4.217 1.00 0.00 PROA
ATOM 829 HA THR P 55 7.793 -3.942 -3.190 1.00 0.00 PROA
ATOM 830 CB THR P 55 7.388 -5.161 -4.932 1.00 0.00 PROA
ATOM 831 HB THR P 55 7.220 -5.024 -6.021 1.00 0.00 PROA
ATOM 832 OG1 THR P 55 6.265 -5.806 -4.338 1.00 0.00 PROA
ATOM 833 HG1 THR P 55 5.512 -5.234 -4.505 1.00 0.00 PROA
ATOM 834 CG2 THR P 55 8.581 -6.064 -4.621 1.00 0.00 PROA
ATOM 835 HG21 THR P 55 9.082 -5.727 -3.688 1.00 0.00 PROA
ATOM 836 HG22 THR P 55 9.316 -6.020 -5.453 1.00 0.00 PROA
ATOM 837 HG23 THR P 55 8.236 -7.111 -4.481 1.00 0.00 PROA
ATOM 838 C THR P 55 8.503 -2.923 -4.940 1.00 0.00 PROA
ATOM 839 O THR P 55 8.412 -2.718 -6.134 1.00 0.00 PROA
ATOM 840 N GLU P 56 9.454 -2.415 -4.204 1.00 0.00 PROA
ATOM 841 HN GLU P 56 9.536 -2.579 -3.224 1.00 0.00 PROA
ATOM 842 CA GLU P 56 10.483 -1.540 -4.842 1.00 0.00 PROA
ATOM 843 HA GLU P 56 9.981 -0.701 -5.300 1.00 0.00 PROA
ATOM 844 CB GLU P 56 11.468 -1.062 -3.776 1.00 0.00 PROA
ATOM 845 HB1 GLU P 56 12.427 -1.614 -3.877 1.00 0.00 PROA
ATOM 846 HB2 GLU P 56 11.049 -1.253 -2.765 1.00 0.00 PROA
ATOM 847 CG GLU P 56 11.713 0.436 -3.959 1.00 0.00 PROA
ATOM 848 HG1 GLU P 56 10.788 1.001 -3.716 1.00 0.00 PROA
ATOM 849 HG2 GLU P 56 12.002 0.645 -5.011 1.00 0.00 PROA
ATOM 850 CD GLU P 56 12.840 0.882 -3.025 1.00 0.00 PROA
ATOM 851 OE1 GLU P 56 12.820 0.421 -1.896 1.00 0.00 PROA
ATOM 852 OE2 GLU P 56 13.656 1.658 -3.493 1.00 0.00 PROA
ATOM 853 C GLU P 56 11.240 -2.317 -5.924 1.00 0.00 PROA
ATOM 854 OT1 GLU P 56 10.918 -3.519 -6.124 1.00 0.00 PROA
ATOM 855 OT2 GLU P 56 12.147 -1.715 -6.559 1.00 0.00 PROA
TER 856 GLU 56
END

3223
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# Created by charmm2lammps v1.9.0 on Mon Oct 3 06:55:39 EDT 2016
# Created by charmm2lammps v1.9.1 on Wed Oct 5 18:18:20 EDT 2016
# Command: charmm2lammps.pl -water -ions -border=2.0 all27_na 1ac7
units real
neigh_modify delay 2 every 1
@ -16,18 +17,20 @@ kspace_style pppm 1e-6
read_data 1ac7.data
special_bonds charmm
thermo 1
thermo 10
thermo_style multi
timestep 0.5
timestep 1.0
minimize 0.0 0.0 1000 10000
minimize 0.0 0.0 50 200
reset_timestep 0
fix 1 all nve
fix 2 all shake 1e-6 500 0 m 1.0 a 93
velocity all create 0.0 12345678 dist uniform
restart 10 1ac7.restart1 1ac7.restart2
dump 1 all atom 10 1ac7.dump
restart 500 1ac7.restart1 1ac7.restart2
dump 1 all atom 100 1ac7.dump
dump_modify 1 image yes scale yes
run 20
thermo 100
run 1000

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LAMMPS (5 Oct 2016)
package omp 0
WARNING: OpenMP support not enabled during compilation; using 1 thread only. (../fix_omp.cpp:123)
# Created by charmm2lammps v1.9.1 on Wed Oct 5 18:18:20 EDT 2016
# Command: charmm2lammps.pl -water -ions -border=2.0 all27_na 1ac7
units real
neigh_modify delay 2 every 1
atom_style full
bond_style harmonic
angle_style charmm
dihedral_style charmm
improper_style harmonic
pair_style lj/charmm/coul/long 8 12
pair_modify mix arithmetic
kspace_style pppm 1e-6
read_data 1ac7.data
orthogonal box = (-14.087 -1.88253 -5.44214) to (10.545 22.7495 33.9691)
2 by 2 by 2 MPI processor grid
reading atoms ...
1968 atoms
scanning bonds ...
3 = max bonds/atom
scanning angles ...
6 = max angles/atom
scanning dihedrals ...
14 = max dihedrals/atom
scanning impropers ...
1 = max impropers/atom
reading bonds ...
1516 bonds
reading angles ...
1491 angles
reading dihedrals ...
1659 dihedrals
reading impropers ...
43 impropers
4 = max # of 1-2 neighbors
7 = max # of 1-3 neighbors
18 = max # of 1-4 neighbors
20 = max # of special neighbors
special_bonds charmm
thermo 10
thermo_style multi
timestep 1.0
minimize 0.0 0.0 50 200
WARNING: Resetting reneighboring criteria during minimization (../min.cpp:168)
PPPM initialization ...
WARNING: Using 12-bit tables for long-range coulomb (../kspace.cpp:316)
G vector (1/distance) = 0.280406
grid = 30 30 40
stencil order = 5
estimated absolute RMS force accuracy = 0.000302577
estimated relative force accuracy = 9.11202e-07
using double precision FFTs
3d grid and FFT values/proc = 13068 4500
Last active /omp style is kspace_style pppm/omp
Neighbor list info ...
1 neighbor list requests
update every 1 steps, delay 0 steps, check yes
max neighbors/atom: 2000, page size: 100000
master list distance cutoff = 14
ghost atom cutoff = 14
binsize = 7 -> bins = 4 4 6
Memory usage per processor = 15.8614 Mbytes
---------------- Step 0 ----- CPU = 0.0000 (sec) ----------------
TotEng = 16313.1962 KinEng = 0.0000 Temp = 0.0000
PotEng = 16313.1962 E_bond = 12014.3479 E_angle = 5414.5475
E_dihed = 557.2338 E_impro = 0.0516 E_vdwl = 1176.0283
E_coul = 28218.0485 E_long = -31067.0615 Press = -18022.1296
---------------- Step 10 ----- CPU = 0.1081 (sec) ----------------
TotEng = -1447.9072 KinEng = 0.0000 Temp = 0.0000
PotEng = -1447.9072 E_bond = 247.8926 E_angle = 2176.8245
E_dihed = 555.8870 E_impro = 1.7628 E_vdwl = -407.3892
E_coul = 27746.6549 E_long = -31769.5399 Press = -1411.7232
---------------- Step 20 ----- CPU = 0.2182 (sec) ----------------
TotEng = -4807.5054 KinEng = 0.0000 Temp = 0.0000
PotEng = -4807.5054 E_bond = 177.3593 E_angle = 555.9353
E_dihed = 551.4306 E_impro = 2.6640 E_vdwl = -581.3001
E_coul = 27120.3184 E_long = -32633.9130 Press = -13576.9371
---------------- Step 30 ----- CPU = 0.3443 (sec) ----------------
TotEng = -5555.1803 KinEng = 0.0000 Temp = 0.0000
PotEng = -5555.1803 E_bond = 147.6057 E_angle = 459.3239
E_dihed = 539.1126 E_impro = 2.8843 E_vdwl = -576.4747
E_coul = 26797.8386 E_long = -32925.4706 Press = -12870.0319
---------------- Step 40 ----- CPU = 0.4657 (sec) ----------------
TotEng = -5973.0779 KinEng = 0.0000 Temp = 0.0000
PotEng = -5973.0779 E_bond = 150.6611 E_angle = 441.4999
E_dihed = 528.1431 E_impro = 3.1819 E_vdwl = -519.1875
E_coul = 26477.1520 E_long = -33054.5284 Press = -13277.6629
---------------- Step 50 ----- CPU = 0.5988 (sec) ----------------
TotEng = -6363.9506 KinEng = 0.0000 Temp = 0.0000
PotEng = -6363.9506 E_bond = 165.0850 E_angle = 401.3082
E_dihed = 518.3931 E_impro = 3.2379 E_vdwl = -463.1261
E_coul = 26138.9684 E_long = -33127.8170 Press = -13085.4188
Loop time of 0.598905 on 8 procs for 50 steps with 1968 atoms
99.2% CPU use with 8 MPI tasks x 1 OpenMP threads
Minimization stats:
Stopping criterion = max iterations
Energy initial, next-to-last, final =
16313.1961904 -6328.33883947 -6363.95060584
Force two-norm initial, final = 9108.55 292.099
Force max component initial, final = 2254.31 67.3492
Final line search alpha, max atom move = 0.00149026 0.100368
Iterations, force evaluations = 50 75
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 0.24051 | 0.28255 | 0.35023 | 7.1 | 47.18
Bond | 0.0022576 | 0.0057876 | 0.0081606 | 2.6 | 0.97
Kspace | 0.18978 | 0.25595 | 0.29717 | 7.2 | 42.74
Neigh | 0.015369 | 0.01561 | 0.015768 | 0.1 | 2.61
Comm | 0.031344 | 0.032818 | 0.034241 | 0.5 | 5.48
Output | 0.00034261 | 0.00035512 | 0.00043511 | 0.2 | 0.06
Modify | 0.0011175 | 0.001414 | 0.0016975 | 0.5 | 0.24
Other | | 0.00442 | | | 0.74
Nlocal: 246 ave 274 max 226 min
Histogram: 2 1 0 1 1 0 1 1 0 1
Nghost: 6331 ave 6591 max 6075 min
Histogram: 1 1 0 0 2 2 0 0 1 1
Neighs: 116074 ave 137552 max 99519 min
Histogram: 1 2 1 1 0 0 0 1 0 2
Total # of neighbors = 928592
Ave neighs/atom = 471.846
Ave special neighs/atom = 4.4065
Neighbor list builds = 3
Dangerous builds = 0
reset_timestep 0
fix 1 all nve
fix 2 all shake 1e-6 500 0 m 1.0 a 93
112 = # of size 2 clusters
26 = # of size 3 clusters
6 = # of size 4 clusters
475 = # of frozen angles
velocity all create 0.0 12345678 dist uniform
restart 500 1ac7.restart1 1ac7.restart2
dump 1 all atom 100 1ac7.dump
dump_modify 1 image yes scale yes
thermo 100
run 1000
PPPM initialization ...
WARNING: Using 12-bit tables for long-range coulomb (../kspace.cpp:316)
G vector (1/distance) = 0.280406
grid = 30 30 40
stencil order = 5
estimated absolute RMS force accuracy = 0.000302577
estimated relative force accuracy = 9.11202e-07
using double precision FFTs
3d grid and FFT values/proc = 13068 4500
Last active /omp style is kspace_style pppm/omp
Neighbor list info ...
1 neighbor list requests
update every 1 steps, delay 2 steps, check yes
max neighbors/atom: 2000, page size: 100000
master list distance cutoff = 14
ghost atom cutoff = 14
binsize = 7 -> bins = 4 4 6
Memory usage per processor = 16.6281 Mbytes
---------------- Step 0 ----- CPU = 0.0000 (sec) ----------------
TotEng = -6507.5910 KinEng = 0.0000 Temp = 0.0000
PotEng = -6507.5910 E_bond = 107.6907 E_angle = 315.0621
E_dihed = 518.3931 E_impro = 3.2379 E_vdwl = -463.1261
E_coul = 26138.9684 E_long = -33127.8170 Press = -12385.0996
---------------- Step 100 ----- CPU = 0.6002 (sec) ----------------
TotEng = -6239.1679 KinEng = 693.7285 Temp = 162.5977
PotEng = -6932.8964 E_bond = 97.8328 E_angle = 278.8843
E_dihed = 517.0395 E_impro = 2.5171 E_vdwl = 25.4169
E_coul = 25297.7912 E_long = -33152.3783 Press = -7082.4023
---------------- Step 200 ----- CPU = 1.2143 (sec) ----------------
TotEng = -6239.2467 KinEng = 973.1878 Temp = 228.0980
PotEng = -7212.4345 E_bond = 100.5993 E_angle = 320.4657
E_dihed = 524.2274 E_impro = 2.4292 E_vdwl = 599.6228
E_coul = 24399.1819 E_long = -33158.9608 Press = -876.3929
---------------- Step 300 ----- CPU = 1.8629 (sec) ----------------
TotEng = -6239.3074 KinEng = 1080.8940 Temp = 253.3425
PotEng = -7320.2014 E_bond = 109.8163 E_angle = 341.6580
E_dihed = 522.9161 E_impro = 3.3533 E_vdwl = 548.9557
E_coul = 24315.8677 E_long = -33162.7685 Press = -2189.9473
---------------- Step 400 ----- CPU = 2.5209 (sec) ----------------
TotEng = -6239.4210 KinEng = 1085.2885 Temp = 254.3725
PotEng = -7324.7096 E_bond = 95.4880 E_angle = 333.0840
E_dihed = 531.5762 E_impro = 4.2236 E_vdwl = 547.4841
E_coul = 24332.2081 E_long = -33168.7736 Press = -1741.7706
---------------- Step 500 ----- CPU = 3.1762 (sec) ----------------
TotEng = -6239.4511 KinEng = 1151.8207 Temp = 269.9665
PotEng = -7391.2719 E_bond = 108.9390 E_angle = 328.6496
E_dihed = 528.8096 E_impro = 3.4706 E_vdwl = 499.9982
E_coul = 24309.7254 E_long = -33170.8642 Press = -2725.2316
---------------- Step 600 ----- CPU = 3.8115 (sec) ----------------
TotEng = -6239.4095 KinEng = 1129.5086 Temp = 264.7369
PotEng = -7368.9182 E_bond = 102.3632 E_angle = 346.1347
E_dihed = 534.3048 E_impro = 3.7134 E_vdwl = 473.9210
E_coul = 24346.7523 E_long = -33176.1075 Press = -2684.1848
---------------- Step 700 ----- CPU = 4.4501 (sec) ----------------
TotEng = -6239.4955 KinEng = 1132.8803 Temp = 265.5272
PotEng = -7372.3758 E_bond = 103.5625 E_angle = 340.8027
E_dihed = 535.9840 E_impro = 4.0448 E_vdwl = 488.9549
E_coul = 24323.6826 E_long = -33169.4072 Press = -2041.9019
---------------- Step 800 ----- CPU = 5.0783 (sec) ----------------
TotEng = -6239.5236 KinEng = 1192.2677 Temp = 279.4465
PotEng = -7431.7912 E_bond = 110.5122 E_angle = 329.8173
E_dihed = 534.5353 E_impro = 5.5900 E_vdwl = 541.3805
E_coul = 24227.6695 E_long = -33181.2961 Press = -1628.5627
---------------- Step 900 ----- CPU = 5.7072 (sec) ----------------
TotEng = -6239.5270 KinEng = 1162.7914 Temp = 272.5378
PotEng = -7402.3184 E_bond = 104.9538 E_angle = 347.6531
E_dihed = 536.4713 E_impro = 4.6832 E_vdwl = 483.3306
E_coul = 24295.7423 E_long = -33175.1528 Press = -1959.1567
---------------- Step 1000 ----- CPU = 6.3345 (sec) ----------------
TotEng = -6239.5020 KinEng = 1128.3312 Temp = 264.4609
PotEng = -7367.8332 E_bond = 102.9814 E_angle = 352.0690
E_dihed = 540.5086 E_impro = 3.6712 E_vdwl = 495.7763
E_coul = 24316.4138 E_long = -33179.2534 Press = -1881.5655
Loop time of 6.33458 on 8 procs for 1000 steps with 1968 atoms
Performance: 13.639 ns/day, 1.760 hours/ns, 157.864 timesteps/s
99.6% CPU use with 8 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 2.2335 | 2.5532 | 3.1707 | 18.5 | 40.31
Bond | 0.01158 | 0.051889 | 0.080867 | 9.9 | 0.82
Kspace | 2.1965 | 2.7773 | 3.0728 | 16.7 | 43.84
Neigh | 0.24407 | 0.24588 | 0.24863 | 0.3 | 3.88
Comm | 0.36894 | 0.37849 | 0.39142 | 1.3 | 5.97
Output | 0.0083764 | 0.0085732 | 0.0087767 | 0.1 | 0.14
Modify | 0.25864 | 0.28389 | 0.2976 | 2.5 | 4.48
Other | | 0.03539 | | | 0.56
Nlocal: 246 ave 290 max 210 min
Histogram: 1 1 0 1 2 0 2 0 0 1
Nghost: 6160.5 ave 6438 max 5877 min
Histogram: 2 0 0 1 0 2 0 1 1 1
Neighs: 116321 ave 144703 max 98946 min
Histogram: 1 2 1 1 0 2 0 0 0 1
Total # of neighbors = 930570
Ave neighs/atom = 472.851
Ave special neighs/atom = 4.4065
Neighbor list builds = 46
Dangerous builds = 0
Total wall time: 0:00:07

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