To Work with autodock we have to consider some steps
steps:
- Fix the protein pdb file
- Convert protein to pdbqt
- Convert ligand to pdbqt
- search all the unique atom in protein as well as ligand file
- create gpf file
- run the autogrid command
1. Fix the protein pdb file
starter command
conda update -n base -c defaults conda
conda install -c conda-forge openbabel pdbfixer
wget https://autodock.scripps.edu/wp-content/uploads/sites/56/2021/10/autodocksuite-4.2.6-x86_64Linux2.tar
tar -xf autodocksuite-4.2.6-x86_64Linux2.tarpdbfixer.py
fixer = PDBFixer(pdbfile=file)
print("Finding missing residues...")
fixer.findMissingResidues()
chains = list(fixer.topology.chains())
keys = fixer.missingResidues.keys()
for key in list(keys):
chain = chains[key[0]]
if key[1] == 0 or key[1] == len(list(chain.residues())):
print("ok")
del fixer.missingResidues[key]
print("Finding nonstandard residues...")
fixer.findNonstandardResidues()
print("Replacing nonstandard residues...")
fixer.replaceNonstandardResidues()
print("Removing heterogens...")
fixer.removeHeterogens(keepWater=True)
print("Finding missing atoms...")
fixer.findMissingAtoms()
print("Adding missing atoms...")
fixer.addMissingAtoms()
print("Adding missing hydrogens...")
fixer.addMissingHydrogens(7)
print("Writing PDB file...")
return app.PDBFile.writeFile(
fixer.topology,
fixer.positions,
open("./7aad.pdb","w"),
keepIds=True)š¾
Spontaneous error if file is not fix before the conversion it might not work
2. Convert protein to pdbqt
pdb_to_pdbqt_converter
_ _
_ __ _ __ ___ | |_ ___(_)_ __
| '_ \| '__/ _ \| __/ _ \ | '_ \
| |_) | | | (_) | || __/ | | | |
| .__/|_| \___/ \__\___|_|_| |_|
|_|
molecule = pybel.readfile("pdb", "./7aad.pdb")
# add hydrogens at given pH
molecule.OBMol.CorrectForPH(pH)
molecule.addh()
# add partial charges to each atom
for atom in molecule.atoms:
atom.OBAtom.GetPartialCharge()
molecule.write("pdbqt","./7aad_.pdbqt", overwrite=True)3. Convert ligand to pdbqt
pdb_to_pdbqt_converter
_ _ _
| (_) __ _ __ _ _ __ __| |
| | |/ _` |/ _` | '_ \ / _` |
| | | (_| | (_| | | | | (_| |
|_|_|\__, |\__,_|_| |_|\__,_|
|___/
molecule = pybel.readstring("smi", smiles)
# add hydrogens at given pH
molecule.OBMol.CorrectForPH(pH)
molecule.addh()
# generate 3D coordinates
molecule.make3D(forcefield="mmff94s", steps=10000)
# add partial charges to each atom
for atom in molecule.atoms:
atom.OBAtom.GetPartialCharge()
molecule.write("pdbqt","mol.pdbqt", overwrite=True)
4. Search all the unique atom in protein as well as ligand file
same file goes for protein and ligand files š
find_atom_types
path = "../olaparib.pdbqt"
i = 0
atom_types = []
with open(path,'r') as file:
for line in file:
if line.startswith('ATOM') or line.startswith('HETATM'):
atom_type = line[:].split()[-1]
atom_types.append(atom_type)
unique_atom = list(set(atom_types))
print("unique atom types : ",unique_atom)config.gpf
npts 118 110 104
gridfld 7aad.maps.fld
spacing 0.569444444444
receptor_types S A NA N HD OA C # we have extract the types in find_atom_types
ligand_types F N C HD A OA NA
receptor 7aad.pdbqt
gridcenter -73.222 24.334 -26.677
smooth 0.5
map 7aad.S.map
map 7aad.A.map
map 7aad.NA.map
map 7aad.N.map
map 7aad.HD.map
map 7aad.OA.map
map 7aad.C.map
elecmap 7aad.e.map
dsolvmap 6vww.d.map
dielectric -0.1465> ./autogrid4 -p config.gpf -l logoutput of log file
log
_______________________________________________________
__________//____________________________/////_________________/________
_________/__/____________/_____________/______________/_______/________
________/____/___________/_____________/______________________/________
________/____/__/_____/_/////___/////__/__////_/_///__/__////_/________
_______/______/_/_____/__/_____/_____/_/_____/_//___/_/_/____//________
_______////////_/_____/__/_____/_____/_/_____/_/______/_/_____/________
_______/______/_/____//__/___/_/_____/_/_____/_/______/_/____//________
_______/______/__////_/___///___/////___/////__/______/__////_/________
_______________________________________________________
______
/ \
/ \
/ \
\ /\ /
\ / \ /
\/ /\ \/
/ \
/____\
______________________________________
| |
| AutoGrid 4.2.6 |
| |
| Garrett M. Morris, TSRI |
| Ruth Huey, TSRI |
| David S. Goodsell, TSRI |
| Arthur J. Olson, TSRI |
| |
| (C) 1989-2009, TSRI |
| The Scripps Research Institute |
|______________________________________|
______________________________________
| |
| Calculation of van der Waals, H-Bond,|
| Electrostatic Potential Energy, & |
| Desolvation Free Energy Grid Maps |
| for AutoDock |
| For help, email autodock@scripps.edu |
|______________________________________|
$Revision: 1.109 $
Compilation parameters: NUM_RECEPTOR_TYPES=20 NEINT=2048
MAX_MAPS=16 NDIEL=16384 MAX_ATOM_TYPES=14
energy_lookup table has 655360 entries of size 8
e_vdW_Hb table has 401408 entries of size 8
Maximum number of maps that can be computed = 16 (defined by MAX_MAPS in "autocomm.h").
This file was created at: 12:10 13" p.m., 03/17/2021
using: "DESKTOP-KH0647F"
GPF> npts 118 110 104 # num.grid points in xyz
Number of grid points in x-direction: 119
Number of grid points in y-direction: 111
Number of grid points in z-direction: 105
GPF> gridfld 6vww.maps.fld # grid_data_file
Creating (AVS-readable) grid maps file : 6vww.maps.fld
Creating (AVS-r
eadable) grid-coordinates extrema file : 6vww.maps.xyz
GPF> spacing 0.569444444444 # spacing(A)
Grid Spacing : 0.569 Angstrom
GPF> receptor_types A C HD Mg N NA OA SA # receptor atom types
GPF> ligand_types A C F NA OA N HD # ligand atom types
Atom type names for ligand atom types 1-7 used for ligand-atom affinity grid maps:
Atom type number 0 corresponds to atom type name "A".
Atom type number 1 corresponds to atom type name "C".
Atom type number 2 corresponds to atom type name "F".
Atom type number 3 corresponds to atom type name "NA".
Atom type number 4 corresponds to atom type name "OA".
Atom type number 5 corresponds to atom type name "N".
Atom type number 6 corresponds to atom type name "HD".
GPF> receptor 6vww.pdbqt # macromolecule
Receptor Input File : 6vww.pdbqt
Receptor Atom Type Assignments:
Atom no. 1, " N " at (-47.374, 30.865, -0.250), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2, " HN1" at (-47.919, 31.432, 0.399), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3, " HN2" at (-46.504, 30.538, 0.170), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 4, " HN3" at (-47.810, 29.959, -0.421), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 5, " CA " at (-47.137, 31.596, -1.490), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 6, " C " at (-48.453, 32.022, -2.131), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 7, " O " at (-48.485, 32.933, -2.957), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 8, " CB " at (-46.322, 30.749, -2.460), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 9, " N " at (-49.531, 31.339, -1.747), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 10, " H " at (-49.423, 30.561, -1.096), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 11, " N " at (-49.547, 31.373, -1.748), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 12, " H " at (-49.480, 30.645, -1.037), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 13, " CA " at (-50.859, 31.680, -2.237), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 14, " CA " at (-50.841, 31.691, -2.334), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 15, " C " at (-51.331, 32.972, -1.584), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 16, " C " at (-51.478, 32.870, -1.611), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 17, " O " at (-51.149, 33.170, -0.377), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 18, " O " at (-51.581, 32.875, -0.379), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 19, " CB " at (-51.842, 30.544, -1.947), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 20, " CB " at (-51.762, 30.475, -2.285), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 21, " CG " at (-51.693, 29.914, -0.560), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 22, " CG " at (-51.708, 29.621, -3.533), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 23, " SD " at (-52.653, 30.703, 0.754), was assigned atom type "SA" (rec_index= 7, atom_type= 7).
Atom no. 24, " SD " at (-51.878, 30.593, -5.041), was assigned atom type "SA" (rec_index= 7, atom_type= 7).
Atom no. 25, " CE " at (-54.199, 29.802, 0.651), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 26, " CE " at (-53.432, 31.429, -4.741), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 27, " N " at (-51.917, 33.861, -2.384), was assigned atom type "NA" (rec_index= 5, atom_type= 5).
Atom no. 28, " CA " at (-52.445, 35.103, -1.839), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 29, " C " at (-53.357, 35.760, -2.859), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 30, " O " at (-53.204, 35.569, -4.067), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 31, " CB " at (-51.323, 36.067, -1.444), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 32, " OG " at (-51.045, 36.994, -2.480), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 33, " HG " at (-50.349, 37.592, -2.235), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 34, " N " at (-54.304, 36.548, -2.348), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 35, " HN " at (-54.396, 36.636, -1.336), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 36, " CA " at (-55.209, 37.284, -3.222), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 37, " C " at (-54.455, 38.311, -4.056), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 38, " O " at (-54.689, 38.432, -5.264), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 39, " CB " at (-56.296, 37.962, -2.389), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 40, " CG " at (-57.146, 39.019, -3.092), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 41, " CD1" at (-58.016, 38.393, -4.167), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 42, " CD2" at (-57.993, 39.783, -2.087), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 43, " N " at (-53.544, 39.057, -3.429), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 44, " HN " at (-53.364, 38.907, -2.436), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 45, " CA " at (-52.803, 40.085, -4.151), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 46, " C " at (-51.873, 39.481, -5.195), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 47, " O " at (-51.602, 40.113, -6.222), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 48, " CB " at (-52.012, 40.951, -3.169), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 49, " CG " at (-52.865, 41.871, -2.296), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 50, " CD " at (-53.629, 41.132, -1.206), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 51, " OE1" at (-53.430, 39.908, -1.052), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 52, " OE2" at (-54.431, 41.780, -0.500), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 53, " N " at (-51.376, 38.267, -4.954), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 54, " HN " at (-51.585, 37.796, -4.074), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 55, " CA " at (-50.534, 37.612, -5.948), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 56, " C " at (-51.358, 37.132, -7.135), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 57, " O " at (-50.904, 37.206, -8.282), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 58, " CB " at (-49.773, 36.450, -5.311), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 59, " CG " at (-49.063, 35.588, -6.332), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 60, " OD1" at (-49.445, 34.441, -6.565), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 61, " ND2" at (-48.028, 36.139, -6.956), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 62, "1HD2" at (-47.712, 37.089, -6.763), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 63, "2HD2" at (-47.549, 35.558, -7.644), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 64, " N " at (-52.570, 36.637, -6.879), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 65, " HN " at (-52.887, 36.546, -5.914), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 66, " CA " at (-53.445, 36.224, -7.973), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 67, " C " at (-53.774, 37.415, -8.861), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 68, " O " at (-53.766, 37.312, -10.095), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 69, " CB " at (-54.719, 35.563, -7.417), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 70, " CG1" at (-55.725, 35.330, -8.533), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 71, " CG2" at (-54.380, 34.253, -6.723), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 72, " N " at (-54.060, 38.565, -8.250), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 73, " HN " at (-54.067, 38.610, -7.231), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 74, " CA " at (-54.362, 39.758, -9.030), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 75, " C " at (-53.143, 40.247, -9.800), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 76, " O " at (-53.287, 40.787, -10.903), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 77, " CB " at (-54.899, 40.858, -8.116), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 78, " N " at (-51.944, 40.066, -9.242), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 79, " HN " at (-51.877, 39.681, -8.300), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 80, " CA " at (-50.729, 40.415, -9.969), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 81, " C " at (-50.625, 39.619, -11.263), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 82, " O " at (-50.315, 40.171, -12.325), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 83, " CB " at (-49.502, 40.174, -9.087), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 84, " CG " at (-48.191, 40.399, -9.794), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 85, " CD1" at (-47.573, 41.637, -9.760), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 86, " CD2" at (-47.574, 39.370, -10.489), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 87, " CE1" at (-46.369, 41.846, -10.408), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 88, " CE2" at (-46.375, 39.575, -11.143), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 89, " CZ " at (-45.770, 40.813, -11.099), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 90, " N " at (-50.877, 38.311, -11.189), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 91, " HN " at (-51.149, 37.898, -10.297), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 92, " CA " at (-50.766, 37.468, -12.374), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 93, " C " at (-51.801, 37.849, -13.422), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 94, " O " at (-51.516, 37.818, -14.624), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 95, " CB " at (-50.916, 35.997, -11.986), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 96, " CG " at (-49.676, 35.439, -11.317), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 97, " OD1" at (-48.846, 34.800, -11.962), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 98, " ND2" at (-49.544, 35.677, -10.017), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 99, "1HD2" at (-48.709, 35.301, -9.567), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 100, "2HD2" at (-50.232, 36.207, -9.482), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 101, " N " at (-53.006, 38.216, -12.987), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 102, " HN " at (-53.191, 38.264, -11.985), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 103, " CA " at (-54.061, 38.549, -13.937), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 104, " C " at (-53.708, 39.813, -14.709), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 105, " O " at (-53.871, 39.875, -15.933), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 106, " CB " at (-55.411, 38.682, -13.209), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 107, " CG1" at (-56.479, 39.189, -14.163), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 108, " CG2" at (-55.822, 37.345, -12.612), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 109, " N " at (-53.202, 40.834, -14.015), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 110, " HN " at (-53.002, 40.727, -13.021), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 111, " CA " at (-52.936, 42.104, -14.681), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 112, " C " at (-51.682, 42.026, -15.544), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 113, " O " at (-51.552, 42.777, -16.517), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 114, " CB " at (-52.838, 43.246, -13.654), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 115, " CG1" at (-54.114, 43.338, -12.836), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 116, " CG2" at (-51.639, 43.054, -12.747), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 117, " N " at (-50.749, 41.131, -15.223), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 118, " HN " at (-50.911, 40.500, -14.438), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 119, " CA " at (-49.502, 41.035, -15.971), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 120, " C " at (-49.480, 39.890, -16.972), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 121, " O " at (-48.842, 40.017, -18.022), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 122, " CB " at (-48.314, 40.880, -15.015), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 123, " CG " at (-48.072, 42.120, -14.179), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 124, " OD1" at (-47.522, 43.111, -14.660), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 125, " ND2" at (-48.471, 42.066, -12.915), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 126, "1HD2" at (-48.308, 42.901, -12.352), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 127, "2HD2" at (-48.927, 41.245, -12.517), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 128, " N " at (-50.153, 38.778, -16.678), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 129, " HN " at (-50.707, 38.748, -15.822), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 130, " CA " at (-50.122, 37.605, -17.540), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 131, " C " at (-51.481, 37.238, -18.118), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 132, " O " at (-51.581, 36.232, -18.830), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 133, " CB " at (-49.555, 36.400, -16.775), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 134, " CG " at (-48.105, 36.558, -16.348), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 135, " CD " at (-47.174, 36.573, -17.550), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 136, " CE " at (-45.715, 36.631, -17.123), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 137, " NZ " at (-44.790, 36.557, -18.288), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 138, " HZ1" at (-43.812, 36.596, -18.002), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 139, " HZ2" at (-45.003, 37.279, -18.977), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 140, " HZ3" at (-44.977, 35.731, -18.857), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 141, " N " at (-52.525, 38.019, -17.848), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 142, " HN " at (-52.382, 38.867, -17.300), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 143, " CA " at (-53.857, 37.696, -18.312), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 144, " C " at (-54.537, 36.567, -17.576), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 145, " O " at (-55.743, 36.367, -17.764), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 146, " N " at (-53.811, 35.826, -16.748), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 147, " HN " at (-52.816, 36.035, -16.668), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 148, " CA " at (-54.345, 34.731, -15.945), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 149, " C " at (-53.276, 34.379, -14.919), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 150, " O " at (-52.193, 34.972, -14.899), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 151, " CB " at (-54.712, 33.522, -16.806), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 152, " CG " at (-53.525, 32.760, -17.307), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 153, " ND1" at (-52.481, 33.364, -17.975), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 154, " HD1" at (-52.415, 34.359, -18.190), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 155, " CD2" at (-53.215, 31.445, -17.234), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 156, " CE1" at (-51.580, 32.452, -18.293), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 157, " NE2" at (-52.001, 31.280, -17.855), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 158, " HE2" at (-51.505, 30.395, -17.961), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 159, " N " at (-53.578, 33.405, -14.068), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 160, " HN " at (-54.504, 32.978, -14.089), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 161, " CA " at (-52.586, 32.947, -13.105), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 162, " C " at (-51.508, 32.147, -13.825), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 163, " O " at (-51.801, 31.129, -14.461), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 164, " CB " at (-53.235, 32.108, -12.009), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 165, " CG " at (-52.286, 31.723, -10.909), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 166, " CD1" at (-52.006, 32.608, -9.879), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 167, " CD2" at (-51.662, 30.486, -10.911), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 168, " CE1" at (-51.128, 32.263, -8.867), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 169, " CE2" at (-50.782, 30.134, -9.902), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 170, " CZ " at (-50.516, 31.024, -8.878), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 171, " N " at (-50.262, 32.610, -13.728), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 172, " HN " at (-50.094, 33.456, -13.183), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 173, " CA " at (-49.132, 31.954, -14.371), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 174, " C " at (-48.066, 31.531, -13.368), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 175, " O " at (-46.978, 31.107, -13.776), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 176, " CB " at (-48.523, 32.873, -15.435), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 177, " CG " at (-47.732, 32.113, -16.481), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 178, " OD1" at (-47.980, 30.901, -16.651), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 179, " OD2" at (-46.854, 32.726, -17.127), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 180, " N " at (-48.345, 31.638, -12.072), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 181, " HN " at (-49.255, 31.997, -11.783), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 182, " CA " at (-47.377, 31.252, -11.064), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 183, " C " at (-46.244, 32.231, -10.862), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 184, " O " at (-45.160, 31.830, -10.428), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 185, " N " at (-46.463, 33.507, -11.160), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 186, " HN " at (-47.391, 33.786, -11.480), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 187, " CA " at (-45.425, 34.520, -11.046), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 188, " C " at (-45.480, 35.199, -9.683), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 189, " O " at (-46.539, 35.300, -9.057), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 190, " CB " at (-45.573, 35.567, -12.152), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 191, " CG " at (-45.697, 34.987, -13.553), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 192, " CD " at (-44.431, 34.293, -14.018), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 193, " OE1" at (-43.328, 34.632, -13.589), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 194, " NE2" at (-44.585, 33.313, -14.902), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 195, "1HE2" at (-45.499, 33.032, -15.257), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 196, "2HE2" at (-43.734, 32.846, -15.215), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 197, " N " at (-44.320, 35.665, -9.228), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 198, " HN " at (-43.471, 35.501, -9.769), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 199, " CA " at (-44.233, 36.403, -7.976), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 200, " C " at (-44.596, 37.866, -8.189), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 201, " O " at (-44.313, 38.453, -9.237), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 202, " CB " at (-42.825, 36.309, -7.388), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 203, " CG " at (-42.476, 34.966, -6.779), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 204, " CD " at (-41.079, 34.951, -6.189), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 205, " OE1" at (-40.211, 35.721, -6.603), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 206, " NE2" at (-40.857, 34.080, -5.212), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 207, "1HE2" at (-39.917, 34.070, -4.815), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 208, "2HE2" at (-41.576, 33.442, -4.869), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 209, " N " at (-45.214, 38.455, -7.181), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 210, " HN " at (-45.428, 37.905, -6.349), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 211, " CA " at (-45.601, 39.853, -7.211), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 212, " C " at (-46.955, 40.057, -6.562), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 213, " O " at (-47.761, 39.137, -6.426), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 214, " N " at (-47.208, 41.296, -6.146), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 215, " HN " at (-46.496, 42.014, -6.277), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 216, " CA " at (-48.466, 41.661, -5.511), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 217, " C " at (-48.904, 43.034, -5.996), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 218, " O " at (-48.076, 43.932, -6.170), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 219, " CB " at (-48.350, 41.672, -3.979), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 220, " CG " at (-48.295, 40.297, -3.331), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 221, " CD " at (-46.898, 39.710, -3.309), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 222, " OE1" at (-45.938, 40.440, -3.634), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 223, " OE2" at (-46.760, 38.517, -2.965), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 224, " N " at (-50.207, 43.187, -6.213), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 225, " HN " at (-50.815, 42.370, -6.152), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 226, " CA " at (-50.799, 44.483, -6.536), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 227, " C " at (-51.872, 44.779, -5.495), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 228, " O " at (-52.469, 43.843, -4.944), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 229, " CB " at (-51.370, 44.506, -7.964), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 230, " CG1" at (-50.279, 44.205, -8.981), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 231, " CG2" at (-52.508, 43.518, -8.100), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 232, " N " at (-52.138, 46.046, -5.176), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 233, " CA " at (-53.154, 46.345, -4.158), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 234, " C " at (-54.554, 46.029, -4.659), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 235, " O " at (-54.910, 46.326, -5.802), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 236, " CB " at (-52.971, 47.846, -3.902), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 237, " CG " at (-52.341, 48.366, -5.151), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 238, " CD " at (-51.464, 47.262, -5.663), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 239, " N " at (-55.356, 45.429, -3.782), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 240, " HN " at (-55.028, 45.311, -2.823), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 241, " CA " at (-56.681, 44.934, -4.130), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 242, " C " at (-57.693, 45.450, -3.117), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 243, " O " at (-57.427, 45.466, -1.910), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 244, " CB " at (-56.709, 43.391, -4.182), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 245, " CG1" at (-58.122, 42.884, -4.409), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 246, " CG2" at (-55.780, 42.883, -5.268), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 247, " N " at (-58.852, 45.878, -3.611), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 248, " HN " at (-58.940, 45.985, -4.621), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 249, " CA " at (-59.999, 46.200, -2.776), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 250, " C " at (-61.192, 45.372, -3.233), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 251, " O " at (-61.442, 45.236, -4.435), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 252, " CB " at (-60.338, 47.692, -2.835), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 253, " OG " at (-60.726, 48.077, -4.141), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 254, " HG " at (-60.936, 49.003, -4.178), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 255, " N " at (-61.920, 44.809, -2.275), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 256, " HN " at (-61.666, 44.982, -1.302), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 257, " CA " at (-63.066, 43.955, -2.556), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 258, " C " at (-64.313, 44.638, -2.018), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 259, " O " at (-64.397, 44.937, -0.820), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 260, " CB " at (-62.902, 42.555, -1.948), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 261, " CG1" at (-61.824, 41.775, -2.703), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 262, " CG2" at (-64.228, 41.809, -1.964), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 263, " CD1" at (-61.669, 40.349, -2.238), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 264, " N " at (-65.289, 44.848, -2.897), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 265, " H " at (-65.139, 44.575, -3.868), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 266, " N " at (-65.265, 44.920, -2.902), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 267, " H " at (-65.121, 44.682, -3.883), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 268, " CA " at (-66.564, 45.452, -2.532), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 269, " CA " at (-66.509, 45.562, -2.500), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 270, " C " at (-67.587, 45.062, -3.592), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 271, " C " at (-67.617, 45.031, -3.395), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 272, " O " at (-67.264, 44.963, -4.779), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 273, " O " at (-67.390, 44.697, -4.561), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 274, " CB " at (-66.430, 46.989, -2.387), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 275, " CB " at (-66.401, 47.107, -2.548), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 276, " CG1" at (-67.750, 47.615, -1.934), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 277, " CG1" at (-67.632, 47.757, -1.915), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 278, " CG2" at (-65.949, 47.616, -3.687), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 279, " CG2" at (-66.199, 47.598, -3.967), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 280, " CD1" at (-67.680, 49.116, -1.752), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 281, " CD1" at (-67.553, 49.264, -1.843), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 282, " N " at (-68.820, 44.805, -3.145), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 283, " H " at (-68.978, 44.787, -2.137), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 284, " N " at (-68.816, 44.943, -2.830), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 285, " H " at (-68.964, 45.403, -1.932), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 286, " CA " at (-69.957, 44.547, -4.035), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 287, " CA " at (-69.939, 44.215, -3.436), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 288, " C " at (-69.752, 43.290, -4.882), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 289, " C " at (-69.447, 42.782, -3.664), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 290, " O " at (-70.062, 43.274, -6.075), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 291, " O " at (-68.804, 42.202, -2.776), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 292, " CB " at (-70.244, 45.753, -4.936), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 293, " CB " at (-70.432, 44.939, -4.677), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 294, " CG " at (-70.363, 47.050, -4.161), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 295, " CG " at (-70.506, 46.443, -4.484), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 296, " OD1" at (-69.750, 48.058, -4.519), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 297, " OD1" at (-69.866, 47.205, -5.209), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 298, " ND2" at (-71.155, 47.034, -3.096), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 299, "1HD2" at (-71.235, 47.907, -2.574), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 300, "2HD2" at (-71.662, 46.200, -2.800), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 301, " ND2" at (-71.288, 46.877, -3.502), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 302, "1HD2" at (-71.818, 46.246, -2.901), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 303, "2HD2" at (-71.338, 47.888, -3.372), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 304, " N " at (-69.235, 42.227, -4.261), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 305, " H " at (-69.009, 42.306, -3.270), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 306, " N " at (-69.723, 42.187, -4.821), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 307, " H " at (-70.372, 42.644, -5.462), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 308, " CA " at (-68.977, 40.951, -4.938), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 309, " CA " at (-69.138, 40.908, -5.214), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 310, " C " at (-68.100, 41.135, -6.177), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 311, " C " at (-68.059, 41.103, -6.267), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 312, " O " at (-68.212, 40.389, -7.153), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 313, " O " at (-67.975, 40.332, -7.227), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 314, " CB " at (-70.286, 40.239, -5.300), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 315, " CB " at (-70.221, 39.965, -5.731), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 316, " CG " at (-70.236, 38.748, -5.022), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 317, " CG " at (-70.334, 38.691, -4.915), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 318, " OD1" at (-69.390, 38.273, -4.264), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 319, " OD1" at (-69.391, 38.286, -4.234), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 320, " ND2" at (-71.149, 38.002, -5.632), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 321, "1HD2" at (-71.850, 38.396, -6.260), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 322, "2HD2" at (-71.115, 37.000, -5.445), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 323, " ND2" at (-71.492, 38.046, -4.988), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 324, "1HD2" at (-72.273, 38.381, -5.552), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 325, "2HD2" at (-71.568, 37.189, -4.439), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 326, " N " at (-67.225, 42.135, -6.132), was assigned atom type "NA" (rec_index= 5, atom_type= 5).
Atom no. 327, " CA " at (-66.319, 42.498, -7.211), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 328, " C " at (-64.916, 42.698, -6.661), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 329, " O " at (-64.742, 43.177, -5.537), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 330, " CB " at (-66.800, 43.780, -7.919), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 331, " OG1" at (-68.182, 43.643, -8.271), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 332, " HG1" at (-68.478, 44.433, -8.707), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 333, " CG2" at (-65.991, 44.047, -9.181), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 334, " N " at (-63.920, 42.320, -7.455), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 335, " HN " at (-64.148, 41.871, -8.342), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 336, " CA " at (-62.517, 42.517, -7.116), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 337, " C " at (-61.997, 43.709, -7.905), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 338, " O " at (-62.174, 43.779, -9.128), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 339, " CB " at (-61.690, 41.256, -7.414), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 340, " CG1" at (-60.240, 41.467, -7.013), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 341, " CG2" at (-62.278, 40.054, -6.695), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 342, " N " at (-61.363, 44.649, -7.208), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 343, " HN " at (-61.279, 44.535, -6.198), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 344, " CA " at (-60.786, 45.831, -7.826), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 345, " C " at (-59.294, 45.894, -7.538), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 346, " O " at (-58.811, 45.343, -6.545), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 347, " CB " at (-61.449, 47.117, -7.316), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 348, " CG " at (-62.913, 47.256, -7.653), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 349, " CD1" at (-63.887, 46.698, -6.838), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 350, " CD2" at (-63.323, 47.962, -8.776), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 351, " CE1" at (-65.225, 46.827, -7.138), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 352, " CE2" at (-64.662, 48.097, -9.083), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 353, " CZ " at (-65.609, 47.528, -8.260), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 354, " OH " at (-66.946, 47.659, -8.558), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 355, " HH " at (-67.211, 48.142, -9.332), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 356, " N " at (-58.567, 46.579, -8.416), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 357, " HN " at (-59.012, 46.905, -9.274), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 358, " CA " at (-57.162, 46.881, -8.198), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 359, " C " at (-56.920, 48.354, -8.494), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 360, " O " at (-57.570, 48.944, -9.362), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 361, " CB " at (-56.240, 46.007, -9.066), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 362, " OG1" at (-54.874, 46.269, -8.725), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 363, " HG1" at (-54.742, 46.091, -7.801), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 364, " CG2" at (-56.452, 46.293, -10.549), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 365, " N " at (-55.993, 48.949, -7.751), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 366, " HN " at (-55.498, 48.403, -7.046), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 367, " CA " at (-55.664, 50.358, -7.914), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 368, " C " at (-54.619, 50.499, -9.014), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 369, " O " at (-53.520, 49.945, -8.907), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 370, " CB " at (-55.154, 50.956, -6.603), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 371, " CG " at (-54.979, 52.468, -6.638), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 372, " CD " at (-54.082, 52.951, -5.506), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 373, " CE " at (-54.767, 52.852, -4.152), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 374, " NZ " at (-55.267, 54.174, -3.682), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 375, " HZ1" at (-55.726, 54.108, -2.774), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 376, " HZ2" at (-55.878, 54.607, -4.375), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 377, " HZ3" at (-54.520, 54.869, -3.669), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 378, " N " at (-54.966, 51.230, -10.070), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 379, " HN " at (-55.900, 51.640, -10.090), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 380, " CA " at (-54.078, 51.474, -11.201), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 381, " C " at (-53.876, 52.978, -11.302), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 382, " O " at (-54.782, 53.703, -11.733), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 383, " CB " at (-54.639, 50.905, -12.510), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 384, " CG1" at (-53.741, 51.279, -13.678), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 385, " CG2" at (-54.790, 49.397, -12.411), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 386, " N " at (-52.692, 53.447, -10.905), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 387, " HN " at (-51.991, 52.785, -10.572), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 388, " CA " at (-52.357, 54.872, -10.928), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 389, " C " at (-53.359, 55.692, -10.119), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 390, " O " at (-53.770, 56.781, -10.522), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 391, " CB " at (-52.252, 55.394, -12.363), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 392, " CG " at (-50.898, 55.114, -12.984), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 393, " OD1" at (-49.876, 55.529, -12.396), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 394, " OD2" at (-50.852, 54.469, -14.053), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 395, " N " at (-53.759, 55.160, -8.967), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 396, " HN " at (-53.461, 54.214, -8.728), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 397, " CA " at (-54.604, 55.884, -8.045), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 398, " C " at (-56.094, 55.694, -8.225), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 399, " O " at (-56.867, 56.252, -7.436), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 400, " N " at (-56.528, 54.936, -9.229), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 401, " HN " at (-55.849, 54.514, -9.862), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 402, " CA " at (-57.948, 54.693, -9.447), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 403, " C " at (-58.198, 53.192, -9.462), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 404, " O " at (-57.336, 52.399, -9.854), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 405, " CB " at (-58.465, 55.348, -10.748), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 406, " CG1" at (-58.257, 56.852, -10.703), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 407, " CG2" at (-57.788, 54.743, -11.968), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 408, " N " at (-59.394, 52.807, -9.026), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 409, " HN " at (-60.070, 53.515, -8.740), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 410, " CA " at (-59.763, 51.401, -8.947), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 411, " C " at (-60.287, 50.914, -10.292), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 412, " O " at (-61.100, 51.586, -10.935), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 413, " CB " at (-60.814, 51.188, -7.860), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 414, " CG " at (-60.344, 51.655, -6.497), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 415, " OD1" at (-59.142, 51.493, -6.195), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 416, " OD2" at (-61.173, 52.189, -5.731), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 417, " N " at (-59.818, 49.743, -10.713), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 418, " HN " at (-59.134, 49.258, -10.133), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 419, " CA " at (-60.233, 49.119, -11.962), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 420, " C " at (-60.799, 47.744, -11.639), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 421, " O " at (-60.149, 46.946, -10.954), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 422, " CB " at (-59.065, 49.011, -12.960), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 423, " CG1" at (-59.505, 48.277, -14.217), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 424, " CG2" at (-58.534, 50.396, -13.303), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 425, " N " at (-62.009, 47.476, -12.123), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 426, " HN " at (-62.497, 48.181, -12.675), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 427, " CA " at (-62.647, 46.191, -11.876), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 428, " C " at (-61.889, 45.076, -12.584), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 429, " O " at (-61.593, 45.172, -13.778), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 430, " CB " at (-64.100, 46.217, -12.347), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 431, " CG " at (-64.717, 44.837, -12.475), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 432, " CD " at (-66.121, 44.872, -13.034), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 433, " OE1" at (-66.846, 45.851, -12.764), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 434, " OE2" at (-66.497, 43.920, -13.750), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 435, " N " at (-61.574, 44.016, -11.843), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 436, " HN " at (-61.800, 44.025, -10.848), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 437, " CA " at (-60.918, 42.845, -12.404), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 438, " C " at (-61.838, 41.648, -12.565), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 439, " O " at (-61.624, 40.842, -13.472), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 440, " CB " at (-59.728, 42.425, -11.533), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 441, " CG " at (-58.516, 43.356, -11.491), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 442, " CD1" at (-57.396, 42.714, -10.688), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 443, " CD2" at (-58.052, 43.696, -12.898), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 444, " N " at (-62.859, 41.517, -11.721), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 445, " HN " at (-63.080, 42.279, -11.080), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 446, " CA " at (-63.665, 40.305, -11.697), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 447, " C " at (-64.957, 40.582, -10.948), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 448, " O " at (-64.924, 41.045, -9.804), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 449, " CB " at (-62.888, 39.162, -11.032), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 450, " CG " at (-63.673, 37.890, -10.883), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 451, " CD1" at (-63.801, 37.012, -11.945), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 452, " CD2" at (-64.261, 37.561, -9.673), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 453, " CE1" at (-64.514, 35.836, -11.809), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 454, " CE2" at (-64.975, 36.386, -9.530), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 455, " CZ " at (-65.102, 35.522, -10.600), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 456, " N " at (-66.086, 40.303, -11.593), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 457, " HN " at (-66.034, 40.023, -12.572), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 458, " CA " at (-67.394, 40.381, -10.958), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 459, " C " at (-67.867, 38.964, -10.660), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 460, " O " at (-68.087, 38.173, -11.583), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 461, " CB " at (-68.402, 41.108, -11.847), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 462, " CG " at (-69.788, 41.215, -11.228), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 463, " CD " at (-70.833, 41.717, -12.205), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 464, " OE1" at (-70.483, 41.955, -13.380), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 465, " OE2" at (-72.004, 41.871, -11.798), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 466, " N " at (-68.019, 38.650, -9.376), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 467, " HN " at (-67.874, 39.369, -8.668), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 468, " CA " at (-68.388, 37.302, -8.956), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 469, " C " at (-69.837, 37.021, -9.335), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 470, " O " at (-70.762, 37.633, -8.791), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 471, " CB " at (-68.174, 37.146, -7.453), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 472, " CG " at (-68.506, 35.755, -6.958), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 473, " OD1" at (-68.500, 34.794, -7.724), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 474, " ND2" at (-68.798, 35.641, -5.668), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 475, "1HD2" at (-68.803, 36.439, -5.032), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 476, "2HD2" at (-69.022, 34.703, -5.334), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 477, " N " at (-70.037, 36.093, -10.270), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 478, " HN " at (-69.226, 35.687, -10.737), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 479, " CA " at (-71.364, 35.635, -10.652), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 480, " C " at (-71.676, 34.245, -10.114), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 481, " O " at (-72.645, 33.622, -10.560), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 482, " CB " at (-71.513, 35.650, -12.176), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 483, " CG " at (-71.362, 37.026, -12.808), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 484, " CD " at (-72.340, 38.024, -12.202), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 485, " CE " at (-73.781, 37.728, -12.601), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 486, " NZ " at (-74.082, 38.148, -13.999), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 487, " HZ1" at (-75.046, 37.950, -14.266), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 488, " HZ2" at (-73.425, 37.730, -14.658), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 489, " HZ3" at (-73.855, 39.132, -14.144), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 490, " N " at (-70.880, 33.748, -9.170), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 491, " HN " at (-70.126, 34.333, -8.810), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 492, " CA " at (-71.037, 32.409, -8.629), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 493, " C " at (-71.659, 32.470, -7.236), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 494, " O " at (-71.891, 33.541, -6.669), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 495, " CB " at (-69.688, 31.687, -8.581), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 496, " OG1" at (-68.989, 32.060, -7.386), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 497, " HG1" at (-68.152, 31.612, -7.356), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 498, " CG2" at (-68.840, 32.062, -9.786), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 499, " N " at (-71.930, 31.293, -6.679), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 500, " HN " at (-71.786, 30.447, -7.230), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 501, " CA " at (-72.424, 31.162, -5.316), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 502, " C " at (-71.300, 31.024, -4.299), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 503, " O " at (-71.577, 30.801, -3.116), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 504, " CB " at (-73.363, 29.958, -5.208), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 505, " OG1" at (-72.664, 28.768, -5.595), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 506, " HG1" at (-73.247, 28.021, -5.528), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 507, " CG2" at (-74.572, 30.145, -6.112), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 508, " N " at (-70.051, 31.144, -4.732), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 509, " HN " at (-69.909, 31.311, -5.728), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 510, " CA " at (-68.872, 31.054, -3.889), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 511, " C " at (-68.465, 32.435, -3.398), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 512, " O " at (-68.890, 33.453, -3.953), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 513, " CB " at (-67.724, 30.417, -4.670), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 514, " CG " at (-67.935, 28.980, -5.147), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 515, " CD1" at (-66.773, 28.528, -6.015), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 516, " CD2" at (-68.113, 28.046, -3.960), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 517, " N " at (-67.655, 32.508, -2.340), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 518, " CA " at (-67.113, 33.806, -1.924), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 519, " C " at (-66.333, 34.459, -3.055), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 520, " O " at (-65.764, 33.787, -3.918), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 521, " CB " at (-66.205, 33.450, -0.743), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 522, " CG " at (-66.799, 32.203, -0.189), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 523, " CD " at (-67.330, 31.442, -1.375), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 524, " N " at (-66.315, 35.793, -3.039), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 525, " HN " at (-66.683, 36.292, -2.229), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 526, " CA " at (-65.775, 36.549, -4.168), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 527, " C " at (-64.298, 36.228, -4.376), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 528, " O " at (-63.855, 35.969, -5.502), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 529, " CB " at (-66.014, 38.057, -3.963), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 530, " CG1" at (-65.603, 38.486, -2.560), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 531, " CG2" at (-65.274, 38.866, -5.017), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 532, " N " at (-63.516, 36.221, -3.293), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 533, " HN " at (-63.922, 36.386, -2.372), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 534, " CA " at (-62.083, 35.979, -3.422), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 535, " C " at (-61.790, 34.541, -3.823), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 536, " O " at (-60.787, 34.277, -4.496), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 537, " CB " at (-61.373, 36.319, -2.113), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 538, " CG " at (-61.772, 35.398, -0.980), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 539, " OD1" at (-62.900, 35.453, -0.487), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 540, " ND2" at (-60.846, 34.548, -0.555), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 541, "1HD2" at (-59.912, 34.502, -0.963), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 542, "2HD2" at (-61.115, 33.927, 0.208), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 543, " N " at (-62.646, 33.604, -3.421), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 544, " HN " at (-63.440, 33.862, -2.836), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 545, " CA " at (-62.458, 32.212, -3.810), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 546, " C " at (-62.745, 32.034, -5.294), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 547, " O " at (-61.944, 31.448, -6.033), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 548, " CB " at (-63.344, 31.296, -2.949), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 549, " CG1" at (-63.216, 29.861, -3.409), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 550, " CG2" at (-62.969, 31.433, -1.483), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 551, " N " at (-63.893, 32.540, -5.753), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 552, " HN " at (-64.530, 33.012, -5.111), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 553, " CA " at (-64.243, 32.423, -7.166), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 554, " C " at (-63.236, 33.153, -8.044), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 555, " O " at (-62.907, 32.690, -9.142), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 556, " CB " at (-65.653, 32.963, -7.403), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 557, " N " at (-62.739, 34.298, -7.572), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 558, " HN " at (-63.073, 34.662, -6.680), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 559, " CA " at (-61.724, 35.035, -8.316), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 560, " C " at (-60.480, 34.185, -8.534), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 561, " O " at (-59.899, 34.184, -9.626), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 562, " CB " at (-61.378, 36.322, -7.567), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 563, " CG " at (-60.200, 37.060, -8.131), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 564, " CD1" at (-60.238, 37.572, -9.416), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 565, " CD2" at (-59.065, 37.265, -7.366), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 566, " CE1" at (-59.158, 38.260, -9.935), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 567, " CE2" at (-57.983, 37.955, -7.877), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 568, " CZ " at (-58.029, 38.453, -9.164), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 569, " N " at (-60.066, 33.444, -7.506), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 570, " HN " at (-60.584, 33.465, -6.627), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 571, " CA " at (-58.881, 32.604, -7.625), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 572, " C " at (-59.114, 31.454, -8.596), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 573, " O " at (-58.240, 31.136, -9.412), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 574, " CB " at (-58.481, 32.080, -6.247), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 575, " CG " at (-57.262, 31.180, -6.242), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 576, " CD " at (-56.836, 30.795, -4.839), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 577, " OE1" at (-57.168, 31.538, -3.892), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 578, " OE2" at (-56.174, 29.747, -4.683), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 579, " N " at (-60.291, 30.828, -8.533), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 580, " HN " at (-60.993, 31.137, -7.861), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 581, " CA " at (-60.581, 29.705, -9.418), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 582, " C " at (-60.658, 30.150, -10.873), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 583, " O " at (-60.141, 29.468, -11.766), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 584, " CB " at (-61.883, 29.028, -8.992), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 585, " CG " at (-61.883, 28.440, -7.581), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 586, " CD1" at (-63.266, 27.936, -7.202), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 587, " CD2" at (-60.858, 27.325, -7.473), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 588, " N " at (-61.299, 31.292, -11.130), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 589, " HN " at (-61.733, 31.814, -10.369), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 590, " CA " at (-61.381, 31.796, -12.496), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 591, " C " at (-60.002, 32.144, -13.038), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 592, " O " at (-59.705, 31.889, -14.210), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 593, " CB " at (-62.299, 33.013, -12.555), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 594, " CG " at (-62.241, 33.729, -13.866), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 595, " CD1" at (-62.831, 33.349, -15.037), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 596, " CD2" at (-61.554, 34.953, -14.140), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 597, " NE1" at (-62.552, 34.263, -16.025), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 598, " HE1" at (-62.874, 34.209, -16.991), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 599, " CE2" at (-61.770, 35.258, -15.499), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 600, " CE3" at (-60.777, 35.821, -13.369), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 601, " CZ2" at (-61.237, 36.393, -16.102), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 602, " CZ3" at (-60.250, 36.947, -13.968), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 603, " CH2" at (-60.482, 37.224, -15.321), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 604, " N " at (-59.145, 32.730, -12.199), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 605, " HN " at (-59.440, 32.964, -11.251), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 606, " CA " at (-57.788, 33.036, -12.635), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 607, " C " at (-57.013, 31.770, -12.971), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 608, " O " at (-56.175, 31.778, -13.880), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 609, " CB " at (-57.059, 33.838, -11.558), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 610, " N " at (-57.283, 30.677, -12.259), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 611, " HN " at (-57.988, 30.734, -11.524), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 612, " CA " at (-56.614, 29.406, -12.487), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 613, " C " at (-57.392, 28.486, -13.422), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 614, " O " at (-57.124, 27.280, -13.451), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 615, " CB " at (-56.359, 28.700, -11.155), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 616, " CG " at (-55.486, 29.485, -10.192), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 617, " CD " at (-55.299, 28.736, -8.884), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 618, " CE " at (-54.358, 29.481, -7.952), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 619, " NZ " at (-54.128, 28.735, -6.686), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 620, " HZ1" at (-53.496, 29.235, -6.060), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 621, " HZ2" at (-53.797, 27.788, -6.868), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 622, " HZ3" at (-55.008, 28.510, -6.223), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 623, " N " at (-58.346, 29.025, -14.179), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 624, " HN " at (-58.537, 30.024, -14.108), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 625, " CA " at (-59.120, 28.213, -15.106), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 626, " C " at (-58.217, 27.618, -16.183), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 627, " O " at (-57.124, 28.116, -16.466), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 628, " CB " at (-60.221, 29.048, -15.758), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 629, " CG " at (-59.701, 30.061, -16.765), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 630, " CD " at (-60.747, 31.110, -17.099), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 631, " NE " at (-60.214, 32.140, -17.985), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 632, " HE " at (-60.408, 32.058, -18.983), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 633, " CZ " at (-59.492, 33.178, -17.575), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 634, " NH1" at (-59.208, 33.327, -16.288), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 635, "1HH1" at (-58.654, 34.124, -15.973), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 636, "2HH1" at (-59.548, 32.643, -15.612), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 637, " NH2" at (-59.050, 34.067, -18.453), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 638, "1HH2" at (-58.496, 34.864, -18.138), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 639, "2HH2" at (-59.268, 33.952, -19.443), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 640, " N " at (-58.690, 26.532, -16.788), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 641, " HN " at (-59.583, 26.139, -16.491), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 642, " CA " at (-57.950, 25.897, -17.868), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 643, " C " at (-58.049, 26.745, -19.131), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 644, " O " at (-59.150, 27.068, -19.589), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 645, " CB " at (-58.491, 24.491, -18.124), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 646, " CG " at (-57.503, 23.610, -18.859), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 647, " OD1" at (-57.238, 23.808, -20.045), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 648, " ND2" at (-56.957, 22.625, -18.157), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 649, "1HD2" at (-57.177, 22.461, -17.175), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 650, "2HD2" at (-56.291, 22.032, -18.652), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 651, " N " at (-56.900, 27.109, -19.692), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 652, " HN " at (-56.026, 26.776, -19.285), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 653, " CA " at (-56.846, 27.968, -20.868), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 654, " C " at (-56.477, 27.175, -22.121), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 655, " O " at (-56.081, 27.756, -23.130), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 656, " CB " at (-55.888, 29.150, -20.653), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 657, " CG1" at (-54.461, 28.647, -20.433), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 658, " CG2" at (-56.350, 30.002, -19.477), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 659, " CD1" at (-53.422, 29.743, -20.429), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 660, " N " at (-56.595, 25.857, -22.066), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 661, " HN " at (-56.844, 25.434, -21.172), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 662, " CA " at (-56.391, 24.980, -23.205), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 663, " C " at (-57.734, 24.467, -23.711), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 664, " O " at (-58.744, 24.552, -23.004), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 665, " CB " at (-55.489, 23.801, -22.813), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 666, " CG " at (-54.052, 24.200, -22.520), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 667, " CD " at (-53.325, 23.131, -21.720), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 668, " CE " at (-53.916, 22.991, -20.325), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 669, " NZ " at (-53.152, 22.027, -19.484), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 670, " HZ1" at (-53.548, 21.933, -18.549), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 671, " HZ2" at (-52.164, 22.276, -19.443), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 672, " HZ3" at (-53.072, 21.120, -19.943), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 673, " N " at (-57.794, 23.956, -24.943), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 674, " CA " at (-59.051, 23.363, -25.427), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 675, " C " at (-59.492, 22.224, -24.522), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 676, " O " at (-58.748, 21.270, -24.284), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 677, " CB " at (-58.690, 22.870, -26.833), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 678, " CG " at (-57.558, 23.733, -27.251), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 679, " CD " at (-56.770, 24.010, -26.002), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 680, " N " at (-60.710, 22.339, -24.003), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 681, " HN " at (-61.288, 23.137, -24.267), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 682, " CA " at (-61.243, 21.354, -23.065), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 683, " C " at (-62.604, 20.895, -23.566), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 684, " O " at (-63.260, 21.591, -24.357), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 685, " CB " at (-61.340, 21.926, -21.631), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 686, " CG1" at (-59.954, 22.158, -21.058), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 687, " CG2" at (-62.141, 23.214, -21.630), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 688, " N " at (-63.050, 19.711, -23.141), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 689, " CA " at (-64.404, 19.270, -23.490), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 690, " C " at (-65.451, 20.243, -22.972), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 691, " O " at (-65.271, 20.898, -21.944), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 692, " CB " at (-64.522, 17.907, -22.800), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 693, " CG " at (-63.121, 17.431, -22.673), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 694, " CD " at (-62.292, 18.658, -22.441), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 695, " N " at (-66.555, 20.338, -23.707), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 696, " HN " at (-66.624, 19.827, -24.587), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 697, " CA " at (-67.664, 21.166, -23.262), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 698, " C " at (-68.305, 20.560, -22.019), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 699, " O " at (-68.335, 19.340, -21.841), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 700, " CB " at (-68.691, 21.329, -24.381), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 701, " CG " at (-68.225, 22.264, -25.489), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 702, " CD " at (-69.249, 22.432, -26.593), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 703, " OE1" at (-69.514, 21.450, -27.318), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 704, " OE2" at (-69.793, 23.548, -26.734), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 705, " N " at (-68.814, 21.437, -21.151), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 706, " HN " at (-68.877, 22.421, -21.412), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 707, " CA " at (-69.283, 21.013, -19.833), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 708, " C " at (-70.375, 19.959, -19.959), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 709, " O " at (-70.433, 19.008, -19.169), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 710, " CB " at (-69.758, 22.232, -19.021), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 711, " CG1" at (-70.308, 21.798, -17.673), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 712, " CG2" at (-68.616, 23.219, -18.837), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 713, " N " at (-71.251, 20.102, -20.958), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 714, " HN " at (-71.180, 20.905, -21.583), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 715, " CA " at (-72.309, 19.117, -21.160), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 716, " C " at (-71.731, 17.723, -21.374), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 717, " O " at (-72.292, 16.731, -20.895), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 718, " CB " at (-73.191, 19.526, -22.342), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 719, " CG " at (-72.444, 19.696, -23.655), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 720, " CD " at (-73.383, 20.088, -24.782), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 721, " CE " at (-72.622, 20.308, -26.080), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 722, " NZ " at (-73.512, 20.788, -27.173), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 723, " HZ1" at (-73.002, 20.936, -28.044), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 724, " HZ2" at (-74.020, 21.627, -26.895), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 725, " HZ3" at (-74.303, 20.159, -27.310), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 726, " N " at (-70.600, 17.631, -22.076), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 727, " HN " at (-70.188, 18.471, -22.483), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 728, " CA " at (-69.946, 16.340, -22.268), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 729, " C " at (-69.475, 15.785, -20.930), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 730, " O " at (-69.717, 14.618, -20.600), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 731, " CB " at (-68.779, 16.473, -23.263), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 732, " CG1" at (-69.295, 16.891, -24.640), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 733, " CG2" at (-68.007, 15.170, -23.353), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 734, " CD1" at (-70.127, 15.832, -25.322), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 735, " N " at (-68.800, 16.620, -20.137), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 736, " HN " at (-68.627, 17.578, -20.441), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 737, " CA " at (-68.308, 16.173, -18.838), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 738, " C " at (-69.458, 15.799, -17.913), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 739, " O " at (-69.351, 14.846, -17.133), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 740, " CB " at (-67.441, 17.261, -18.205), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 741, " CG " at (-66.247, 17.740, -19.035), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 742, " CD1" at (-65.476, 18.820, -18.295), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 743, " CD2" at (-65.335, 16.577, -19.388), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 744, " N " at (-70.567, 16.535, -17.986), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 745, " HN " at (-70.605, 17.332, -18.621), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 746, " CA " at (-71.726, 16.208, -17.163), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 747, " C " at (-72.332, 14.875, -17.578), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 748, " O " at (-72.656, 14.037, -16.728), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 749, " CB " at (-72.768, 17.322, -17.253), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 750, " CG " at (-72.257, 18.641, -16.715), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 751, " OD1" at (-71.292, 18.681, -15.953), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 752, " ND2" at (-72.907, 19.731, -17.106), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 753, "1HD2" at (-72.563, 20.620, -16.743), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 754, "2HD2" at (-73.707, 19.698, -17.738), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 755, " N " at (-72.490, 14.661, -18.886), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 756, " HN " at (-72.189, 15.370, -19.555), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 757, " CA " at (-73.090, 13.422, -19.367), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 758, " C " at (-72.262, 12.207, -18.980), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 759, " O " at (-72.808, 11.110, -18.815), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 760, " CB " at (-73.264, 13.479, -20.882), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 761, " CG " at (-74.224, 14.564, -21.316), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 762, " OD1" at (-75.065, 15.013, -20.539), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 763, " ND2" at (-74.102, 14.995, -22.564), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 764, "1HD2" at (-74.749, 15.727, -22.857), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 765, "2HD2" at (-73.405, 14.623, -23.208), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 766, " N " at (-70.952, 12.377, -18.832), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 767, " HN " at (-70.547, 13.290, -19.040), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 768, " CA " at (-70.076, 11.305, -18.384), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 769, " C " at (-70.013, 11.191, -16.868), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 770, " O " at (-69.319, 10.308, -16.356), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 771, " CB " at (-68.669, 11.507, -18.950), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 772, " CG " at (-68.569, 11.368, -20.469), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 773, " CD1" at (-67.203, 11.800, -20.970), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 774, " CD2" at (-68.862, 9.935, -20.882), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 775, " N " at (-70.717, 12.057, -16.143), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 776, " HN " at (-71.251, 12.787, -16.614), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 777, " CA " at (-70.738, 11.980, -14.697), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 778, " C " at (-69.491, 12.481, -14.011), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 779, " O " at (-69.205, 12.053, -12.888), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 780, " N " at (-68.736, 13.375, -14.648), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 781, " HN " at (-69.012, 13.693, -15.577), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 782, " CA " at (-67.523, 13.906, -14.041), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 783, " C " at (-67.891, 14.764, -12.839), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 784, " O " at (-68.774, 15.629, -12.919), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 785, " CB " at (-66.710, 14.707, -15.068), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 786, " CG1" at (-65.527, 15.384, -14.398), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 787, " CG2" at (-66.241, 13.800, -16.196), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 788, " N " at (-67.217, 14.523, -11.715), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 789, " HN " at (-66.499, 13.799, -11.718), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 790, " CA " at (-67.470, 15.257, -10.483), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 791, " C " at (-66.405, 16.291, -10.157), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 792, " O " at (-66.710, 17.278, -9.483), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 793, " CB " at (-67.585, 14.289, -9.298), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 794, " CG " at (-68.659, 13.240, -9.501), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 795, " OD1" at (-69.742, 13.582, -10.023), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 796, " OD2" at (-68.416, 12.070, -9.137), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 797, " N " at (-65.172, 16.095, -10.623), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 798, " HN " at (-65.005, 15.334, -11.281), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 799, " CA " at (-64.055, 16.939, -10.218), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 800, " C " at (-62.936, 16.762, -11.232), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 801, " O " at (-62.840, 15.727, -11.895), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 802, " CB " at (-63.599, 16.584, -8.779), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 803, " CG1" at (-62.771, 17.713, -8.165), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 804, " CG2" at (-62.824, 15.277, -8.768), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 805, " CD1" at (-62.554, 17.545, -6.674), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 806, " N " at (-62.093, 17.783, -11.364), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 807, " HN " at (-62.240, 18.617, -10.795), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 808, " CA " at (-60.970, 17.757, -12.287), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 809, " C " at (-59.664, 17.605, -11.518), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 810, " O " at (-59.541, 18.051, -10.373), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 811, " CB " at (-60.929, 19.024, -13.145), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 812, " N " at (-58.687, 16.974, -12.165), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 813, " HN " at (-58.847, 16.678, -13.128), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 814, " CA " at (-57.395, 16.690, -11.548), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 815, " C " at (-56.446, 17.859, -11.795), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 816, " O " at (-55.959, 18.046, -12.915), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 817, " CB " at (-56.813, 15.389, -12.093), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 818, " N " at (-56.194, 18.647, -10.747), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 819, " HN " at (-56.744, 18.516, -9.898), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 820, " CA " at (-55.166, 19.690, -10.757), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 821, " C " at (-55.429, 20.743, -11.832), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 822, " O " at (-54.504, 21.258, -12.463), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 823, " CB " at (-53.772, 19.081, -10.920), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 824, " CG " at (-53.491, 17.993, -9.901), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 825, " OD1" at (-53.611, 16.804, -10.196), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 826, " ND2" at (-53.123, 18.396, -8.689), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 827, "1HD2" at (-52.934, 17.664, -8.004), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 828, "2HD2" at (-53.024, 19.381, -8.445), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 829, " N " at (-56.702, 21.073, -12.037), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 830, " HN " at (-57.431, 20.571, -11.531), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 831, " CA " at (-57.085, 22.130, -12.963), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 832, " C " at (-58.500, 22.571, -12.621), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 833, " O " at (-59.189, 21.946, -11.811), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 834, " CB " at (-56.991, 21.671, -14.423), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 835, " OG1" at (-57.184, 22.794, -15.294), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 836, " HG1" at (-56.521, 23.449, -15.107), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 837, " CG2" at (-58.050, 20.625, -14.722), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 838, " N " at (-58.925, 23.663, -13.251), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 839, " HN " at (-58.284, 24.140, -13.886), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 840, " CA " at (-60.266, 24.209, -13.075), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 841, " C " at (-60.914, 24.328, -14.445), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 842, " O " at (-60.437, 25.084, -15.301), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 843, " CB " at (-60.249, 25.572, -12.366), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 844, " CG1" at (-61.629, 26.209, -12.420), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 845, " CG2" at (-59.803, 25.411, -10.929), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 846, " N " at (-61.995, 23.585, -14.652), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 847, " HN " at (-62.259, 22.893, -13.951), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 848, " CA " at (-62.817, 23.725, -15.847), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 849, " C " at (-63.818, 24.843, -15.578), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 850, " O " at (-64.687, 24.716, -14.711), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 851, " CB " at (-63.528, 22.415, -16.201), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 852, " CG1" at (-62.526, 21.259, -16.242), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 853, " CG2" at (-64.250, 22.549, -17.532), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 854, " CD1" at (-61.413, 21.449, -17.248), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 855, " N " at (-63.693, 25.943, -16.312), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 856, " HN " at (-62.968, 25.984, -17.028), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 857, " CA " at (-64.566, 27.091, -16.119), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 858, " C " at (-65.794, 26.953, -17.010), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 859, " O " at (-65.669, 26.791, -18.228), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 860, " CB " at (-63.834, 28.396, -16.422), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 861, " CG " at (-64.624, 29.589, -16.015), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 862, " CD1" at (-65.357, 30.405, -16.825), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 863, " CD2" at (-64.790, 30.088, -14.685), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 864, " NE1" at (-65.959, 31.390, -16.082), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 865, " HE1" at (-66.557, 32.130, -16.451), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 866, " CE2" at (-65.626, 31.217, -14.764), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 867, " CE3" at (-64.305, 29.693, -13.435), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 868, " CZ2" at (-65.989, 31.956, -13.642), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 869, " CZ3" at (-64.667, 30.426, -12.322), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 870, " CH2" at (-65.501, 31.545, -12.432), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 871, " N " at (-66.977, 27.015, -16.401), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 872, " HN " at (-67.003, 27.098, -15.385), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 873, " CA " at (-68.238, 26.969, -17.136), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 874, " C " at (-68.583, 28.396, -17.539), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 875, " O " at (-69.037, 29.194, -16.717), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 876, " CB " at (-69.339, 26.338, -16.290), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 877, " CG " at (-70.598, 26.040, -17.086), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 878, " OD1" at (-70.793, 26.636, -18.167), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 879, " OD2" at (-71.402, 25.204, -16.623), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 880, " N " at (-68.361, 28.719, -18.814), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 881, " HN " at (-67.982, 28.021, -19.454), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 882, " CA " at (-68.655, 30.061, -19.300), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 883, " C " at (-70.147, 30.290, -19.496), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 884, " O " at (-70.579, 31.446, -19.559), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 885, " CB " at (-67.905, 30.319, -20.605), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 886, " CG " at (-66.418, 30.533, -20.423), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 887, " CD1" at (-65.877, 31.811, -20.443), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 888, " CD2" at (-65.558, 29.459, -20.226), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 889, " CE1" at (-64.521, 32.016, -20.278), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 890, " CE2" at (-64.198, 29.655, -20.061), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 891, " CZ " at (-63.686, 30.936, -20.087), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 892, " OH " at (-62.336, 31.144, -19.922), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 893, " HH " at (-61.983, 32.026, -19.940), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 894, " N " at (-70.940, 29.222, -19.598), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 895, " HN " at (-70.533, 28.287, -19.615), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 896, " CA " at (-72.388, 29.386, -19.685), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 897, " C " at (-72.957, 29.917, -18.376), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 898, " O " at (-73.831, 30.792, -18.381), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 899, " CB " at (-73.043, 28.058, -20.060), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 900, " CG " at (-72.605, 27.520, -21.410), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 901, " CD " at (-73.125, 28.390, -22.541), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 902, " CE " at (-72.372, 28.122, -23.832), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 903, " NZ " at (-72.343, 26.674, -24.168), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 904, " HZ1" at (-71.837, 26.494, -25.035), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 905, " HZ2" at (-73.284, 26.282, -24.200), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 906, " HZ3" at (-71.965, 26.122, -23.398), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 907, " N " at (-72.473, 29.405, -17.245), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 908, " HN " at (-71.780, 28.659, -17.299), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 909, " CA " at (-72.899, 29.874, -15.936), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 910, " C " at (-71.957, 30.907, -15.335), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 911, " O " at (-72.266, 31.448, -14.267), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 912, " CB " at (-73.032, 28.693, -14.964), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 913, " CG " at (-73.975, 27.598, -15.427), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 914, " CD " at (-74.070, 26.472, -14.401), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 915, " NE " at (-72.759, 25.947, -14.028), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 916, " HE " at (-72.227, 25.446, -14.740), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 917, " CZ " at (-72.212, 26.078, -12.823), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 918, " NH1" at (-72.867, 26.710, -11.859), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 919, "1HH1" at (-72.447, 26.810, -10.935), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 920, "2HH1" at (-73.790, 27.101, -12.048), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 921, " NH2" at (-71.012, 25.569, -12.577), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 922, "1HH2" at (-70.592, 25.669, -11.653), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 923, "2HH2" at (-70.508, 25.083, -13.319), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 924, " N " at (-70.832, 31.196, -15.991), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 925, " HN " at (-70.684, 30.779, -16.910), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 926, " CA " at (-69.801, 32.084, -15.452), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 927, " C " at (-69.384, 31.637, -14.053), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 928, " O " at (-69.283, 32.431, -13.116), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 929, " CB " at (-70.270, 33.541, -15.453), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 930, " CG " at (-70.413, 34.106, -16.853), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 931, " OD1" at (-69.604, 33.737, -17.731), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 932, " OD2" at (-71.335, 34.919, -17.077), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 933, " N " at (-69.146, 30.338, -13.920), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 934, " HN " at (-69.180, 29.748, -14.752), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 935, " CA " at (-68.839, 29.719, -12.641), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 936, " C " at (-67.995, 28.485, -12.901), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 937, " O " at (-67.980, 27.967, -14.024), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 938, " CB " at (-70.120, 29.346, -11.880), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 939, " N " at (-67.266, 27.995, -11.898), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 940, " CA " at (-66.532, 26.740, -12.081), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 941, " C " at (-67.491, 25.582, -12.307), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 942, " O " at (-68.575, 25.524, -11.723), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 943, " CB " at (-65.753, 26.585, -10.770), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 944, " CG " at (-66.499, 27.417, -9.784), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 945, " CD " at (-67.027, 28.579, -10.566), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 946, " N " at (-67.081, 24.653, -13.172), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 947, " HN " at (-66.151, 24.723, -13.586), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 948, " CA " at (-67.950, 23.540, -13.530), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 949, " C " at (-68.124, 22.542, -12.393), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 950, " O " at (-69.098, 21.782, -12.401), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 951, " CB " at (-67.406, 22.826, -14.769), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 952, " N " at (-67.219, 22.524, -11.418), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 953, " HN " at (-66.473, 23.220, -11.422), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 954, " CA " at (-67.261, 21.542, -10.346), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 955, " C " at (-67.103, 22.228, -8.997), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 956, " O " at (-66.445, 23.264, -8.880), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 957, " CB " at (-66.177, 20.476, -10.529), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 958, " CG " at (-66.173, 19.856, -11.891), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 959, " ND1" at (-65.170, 20.082, -12.808), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 960, " HD1" at (-64.351, 20.671, -12.654), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 961, " CD2" at (-67.060, 19.034, -12.498), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 962, " CE1" at (-65.434, 19.417, -13.919), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 963, " NE2" at (-66.577, 18.774, -13.757), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 964, " HE2" at (-67.027, 18.181, -14.454), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 965, " N " at (-67.712, 21.627, -7.977), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 966, " HN " at (-68.183, 20.737, -8.143), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 967, " CA " at (-67.733, 22.190, -6.631), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 968, " C " at (-66.319, 22.270, -6.068), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 969, " O " at (-65.782, 23.362, -5.845), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 970, " CB " at (-68.638, 21.356, -5.706), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 971, " CG1" at (-69.995, 21.101, -6.364), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 972, " CG2" at (-68.807, 22.043, -4.360), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 973, " CD1" at (-70.873, 20.139, -5.585), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 974, " N " at (-65.712, 21.115, -5.826), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 975, " HN " at (-66.169, 20.248, -6.107), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 976, " CA " at (-64.416, 21.049, -5.173), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 977, " C " at (-63.293, 20.992, -6.204), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 978, " O " at (-63.520, 20.857, -7.408), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 979, " CB " at (-64.355, 19.839, -4.243), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 980, " OG " at (-65.402, 19.879, -3.289), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 981, " HG " at (-65.364, 19.126, -2.711), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 982, " N " at (-62.064, 21.101, -5.710), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 983, " HN " at (-61.953, 21.220, -4.703), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 984, " CA " at (-60.870, 21.059, -6.538), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 985, " C " at (-59.855, 20.113, -5.911), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 986, " O " at (-60.003, 19.670, -4.768), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 987, " CB " at (-60.257, 22.456, -6.716), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 988, " OG1" at (-60.092, 23.076, -5.434), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 989, " HG1" at (-59.713, 23.940, -5.544), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 990, " CG2" at (-61.152, 23.326, -7.585), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 991, " N " at (-58.816, 19.799, -6.681), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 992, " HN " at (-58.776, 20.186, -7.624), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 993, " CA " at (-57.731, 18.928, -6.242), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 994, " C " at (-56.424, 19.645, -6.541), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 995, " O " at (-56.067, 19.829, -7.711), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 996, " CB " at (-57.767, 17.557, -6.929), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 997, " CG1" at (-59.042, 16.800, -6.550), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 998, " CG2" at (-56.535, 16.746, -6.559), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 999, " CD1" at (-59.222, 15.493, -7.293), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1000, " N " at (-55.713, 20.050, -5.493), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1001, " HN " at (-56.077, 19.900, -4.552), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1002, " CA " at (-54.424, 20.704, -5.665), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1003, " C " at (-54.482, 21.990, -6.460), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1004, " O " at (-53.602, 22.242, -7.292), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1005, " N " at (-55.503, 22.813, -6.224), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1006, " HN " at (-56.185, 22.564, -5.507), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1007, " CA " at (-55.674, 24.060, -6.961), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1008, " C " at (-55.810, 25.226, -5.991), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1009, " O " at (-54.953, 26.116, -5.947), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1010, " CB " at (-56.891, 23.992, -7.901), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1011, " CG1" at (-57.142, 25.350, -8.530), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1012, " CG2" at (-56.680, 22.934, -8.973), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1013, " N " at (-56.889, 25.231, -5.212), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1014, " HN " at (-57.530, 24.439, -5.261), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1015, " CA " at (-57.194, 26.318, -4.292), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1016, " C " at (-57.403, 25.750, -2.898), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1017, " O " at (-58.232, 24.855, -2.710), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1018, " CB " at (-58.440, 27.086, -4.741), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1019, " SG " at (-59.125, 28.189, -3.489), was assigned atom type "SA" (rec_index= 7, atom_type= 7).
Atom no. 1020, " N " at (-56.665, 26.288, -1.923), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1021, " HN " at (-56.061, 27.084, -2.129), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1022, " CA " at (-56.713, 25.750, -0.566), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1023, " C " at (-58.114, 25.813, 0.026), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1024, " O " at (-58.477, 24.965, 0.850), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1025, " CB " at (-55.731, 26.504, 0.331), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1026, " OG " at (-54.410, 26.414, -0.171), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1027, " HG " at (-53.800, 26.883, 0.386), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1028, " N " at (-58.915, 26.799, -0.378), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1029, " HN " at (-58.588, 27.466, -1.077), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1030, " CA " at (-60.256, 26.927, 0.177), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1031, " C " at (-61.219, 25.893, -0.396), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1032, " O " at (-62.145, 25.466, 0.301), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1033, " CB " at (-60.790, 28.341, -0.061), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1034, " CG " at (-62.111, 28.624, 0.634), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1035, " SD " at (-62.038, 28.350, 2.416), was assigned atom type "SA" (rec_index= 7, atom_type= 7).
Atom no. 1036, " CE " at (-61.162, 29.811, 2.954), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1037, " N " at (-61.019, 25.473, -1.647), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1038, " HN " at (-60.235, 25.854, -2.177), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1039, " CA " at (-61.885, 24.488, -2.278), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1040, " C " at (-61.241, 23.119, -2.434), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1041, " O " at (-61.931, 22.174, -2.833), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1042, " CB " at (-62.340, 24.979, -3.660), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1043, " OG1" at (-61.194, 25.231, -4.482), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1044, " HG1" at (-60.684, 24.434, -4.563), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1045, " CG2" at (-63.155, 26.252, -3.530), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1046, " N " at (-59.950, 22.982, -2.137), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1047, " HN " at (-59.420, 23.788, -1.806), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1048, " CA " at (-59.286, 21.694, -2.280), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1049, " C " at (-59.815, 20.699, -1.258), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1050, " O " at (-59.850, 20.982, -0.056), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1051, " CB " at (-57.773, 21.843, -2.116), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1052, " CG " at (-57.079, 22.219, -3.409), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1053, " OD1" at (-57.758, 22.284, -4.455), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1054, " OD2" at (-55.853, 22.452, -3.375), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1055, " N " at (-60.240, 19.530, -1.744), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1056, " HN " at (-60.406, 19.434, -2.746), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1057, " CA " at (-60.471, 18.388, -0.867), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1058, " C " at (-59.247, 17.492, -0.780), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1059, " O " at (-59.171, 16.645, 0.123), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1060, " CB " at (-61.679, 17.552, -1.334), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1061, " CG1" at (-61.460, 17.050, -2.761), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1062, " CG2" at (-62.961, 18.364, -1.238), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1063, " CD1" at (-62.559, 16.147, -3.257), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1064, " N " at (-58.284, 17.657, -1.685), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1065, " HN " at (-58.409, 18.368, -2.405), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1066, " CA " at (-57.061, 16.868, -1.693), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1067, " C " at (-56.022, 17.607, -2.524), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1068, " O " at (-56.337, 18.551, -3.252), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1069, " CB " at (-57.307, 15.459, -2.244), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1070, " N " at (-54.771, 17.165, -2.404), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1071, " HN " at (-54.569, 16.407, -1.752), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1072, " CA " at (-53.685, 17.742, -3.186), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1073, " C " at (-53.413, 16.956, -4.463), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1074, " O " at (-53.131, 17.553, -5.508), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1075, " CB " at (-52.409, 17.821, -2.344), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1076, " CG " at (-52.499, 18.772, -1.161), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1077, " CD " at (-51.176, 18.839, -0.412), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1078, " CE " at (-51.232, 19.841, 0.731), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1079, " NZ " at (-49.932, 19.927, 1.455), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1080, " HZ1" at (-49.970, 20.599, 2.221), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1081, " HZ2" at (-49.164, 20.134, 0.816), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1082, " HZ3" at (-49.626, 19.010, 1.780), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1083, " N " at (-53.492, 15.631, -4.400), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1084, " HN " at (-53.711, 15.200, -3.502), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1085, " CA " at (-53.281, 14.766, -5.548), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1086, " C " at (-54.453, 13.810, -5.699), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1087, " O " at (-55.116, 13.472, -4.712), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1088, " CB " at (-51.970, 13.976, -5.412), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1089, " CG " at (-50.759, 14.718, -5.958), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1090, " CD " at (-49.464, 13.972, -5.690), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1091, " CE " at (-49.073, 14.051, -4.224), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1092, " NZ " at (-47.744, 13.427, -3.971), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1093, " HZ1" at (-47.481, 13.480, -2.987), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1094, " HZ2" at (-47.024, 13.832, -4.570), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1095, " HZ3" at (-47.714, 12.466, -4.312), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1096, " N " at (-54.741, 13.364, -6.927), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1097, " CA " at (-55.930, 12.522, -7.141), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1098, " C " at (-55.862, 11.168, -6.456), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1099, " O " at (-56.912, 10.547, -6.251), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1100, " CB " at (-55.982, 12.363, -8.669), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1101, " CG " at (-55.142, 13.480, -9.207), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1102, " CD " at (-54.066, 13.697, -8.192), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1103, " N " at (-54.673, 10.692, -6.093), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1104, " HN " at (-53.842, 11.263, -6.248), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1105, " CA " at (-54.526, 9.377, -5.480), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1106, " C " at (-54.961, 9.339, -4.021), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1107, " O " at (-54.921, 8.265, -3.412), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1108, " CB " at (-53.074, 8.905, -5.586), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1109, " OG1" at (-52.195, 9.954, -5.158), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1110, " HG1" at (-52.402, 10.195, -4.263), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1111, " CG2" at (-52.743, 8.519, -7.018), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1112, " N " at (-55.372, 10.467, -3.448), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1113, " HN " at (-55.410, 11.327, -3.995), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1114, " CA " at (-55.767, 10.485, -2.049), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1115, " C " at (-57.095, 9.755, -1.849), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1116, " O " at (-57.849, 9.501, -2.793), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1117, " CB " at (-55.854, 11.923, -1.536), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1118, " CG " at (-54.511, 12.479, -1.079), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1119, " CD " at (-54.549, 13.969, -0.799), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1120, " OE1" at (-54.009, 14.743, -1.618), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1121, " OE2" at (-55.121, 14.367, 0.237), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1122, " N " at (-57.370, 9.418, -0.587), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1123, " HN " at (-56.772, 9.761, 0.165), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1124, " CA " at (-58.512, 8.567, -0.263), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1125, " C " at (-59.835, 9.254, -0.576), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1126, " O " at (-60.774, 8.610, -1.059), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1127, " CB " at (-58.453, 8.164, 1.211), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1128, " OG1" at (-57.277, 7.378, 1.446), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1129, " HG1" at (-56.509, 7.881, 1.200), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1130, " CG2" at (-59.684, 7.358, 1.605), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1131, " N " at (-59.926, 10.561, -0.320), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1132, " HN " at (-59.099, 11.069, -0.006), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1133, " CA " at (-61.186, 11.275, -0.482), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1134, " C " at (-61.658, 11.276, -1.931), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1135, " O " at (-62.847, 11.483, -2.194), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1136, " CB " at (-61.047, 12.715, 0.061), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1137, " CG1" at (-62.424, 13.326, 0.332), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1138, " CG2" at (-60.254, 13.581, -0.905), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1139, " CD1" at (-63.228, 12.580, 1.375), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1140, " N " at (-60.758, 11.030, -2.881), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1141, " HN " at (-59.796, 10.829, -2.609), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1142, " CA " at (-61.103, 11.039, -4.296), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1143, " C " at (-61.622, 9.699, -4.794), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1144, " O " at (-61.940, 9.581, -5.982), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1145, " CB " at (-59.888, 11.452, -5.131), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1146, " SG " at (-59.128, 13.004, -4.622), was assigned atom type "SA" (rec_index= 7, atom_type= 7).
Atom no. 1147, " N " at (-61.716, 8.693, -3.925), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1148, " HN " at (-61.513, 8.855, -2.939), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1149, " CA " at (-62.108, 7.359, -4.377), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1150, " C " at (-63.528, 7.308, -4.930), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1151, " O " at (-63.705, 6.810, -6.056), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1152, " CB " at (-61.902, 6.352, -3.240), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1153, " N " at (-64.567, 7.786, -4.238), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1154, " CA " at (-65.923, 7.688, -4.793), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1155, " C " at (-66.219, 8.681, -5.906), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1156, " O " at (-67.340, 8.680, -6.427), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1157, " CB " at (-66.824, 7.962, -3.572), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1158, " CG " at (-65.914, 7.941, -2.375), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1159, " CD " at (-64.594, 8.385, -2.892), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1160, " N " at (-65.259, 9.519, -6.287), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1161, " HN " at (-64.324, 9.405, -5.895), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1162, " CA " at (-65.491, 10.593, -7.242), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1163, " C " at (-64.967, 10.214, -8.619), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1164, " O " at (-63.943, 9.535, -8.743), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1165, " CB " at (-64.821, 11.886, -6.775), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1166, " CG " at (-65.275, 12.441, -5.426), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1167, " CD1" at (-64.433, 13.642, -5.042), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1168, " CD2" at (-66.749, 12.808, -5.467), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1169, " N " at (-65.676, 10.662, -9.652), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1170, " HN " at (-66.555, 11.147, -9.470), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1171, " CA " at (-65.245, 10.487, -11.036), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1172, " C " at (-64.349, 11.667, -11.391), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1173, " O " at (-64.831, 12.758, -11.703), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1174, " CB " at (-66.444, 10.387, -11.972), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1175, " OG1" at (-67.254, 9.266, -11.595), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1176, " HG1" at (-67.541, 9.376, -10.696), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1177, " CG2" at (-65.984, 10.211, -13.412), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1178, " N " at (-63.042, 11.450, -11.335), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1179, " HN " at (-62.713, 10.508, -11.123), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1180, " CA " at (-62.054, 12.497, -11.563), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1181, " C " at (-61.783, 12.612, -13.055), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1182, " O " at (-61.657, 11.605, -13.758), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1183, " CB " at (-60.759, 12.197, -10.783), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1184, " CG1" at (-59.738, 13.304, -10.988), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1185, " CG2" at (-61.062, 12.007, -9.305), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1186, " N " at (-61.690, 13.844, -13.547), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1187, " HN " at (-61.846, 14.639, -12.927), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1188, " CA " at (-61.371, 14.089, -14.947), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1189, " C " at (-59.861, 14.213, -15.107), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1190, " O " at (-59.227, 15.037, -14.439), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1191, " CB " at (-62.067, 15.349, -15.452), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1192, " CG " at (-61.636, 15.759, -16.827), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 1193, " CD1" at (-62.045, 15.040, -17.937), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 1194, " CD2" at (-60.823, 16.863, -17.011), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 1195, " CE1" at (-61.650, 15.414, -19.204), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 1196, " CE2" at (-60.425, 17.243, -18.277), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 1197, " CZ " at (-60.840, 16.517, -19.374), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 1198, " N " at (-59.292, 13.402, -15.993), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1199, " HN " at (-59.885, 12.752, -16.509), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1200, " CA " at (-57.861, 13.399, -16.260), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1201, " C " at (-57.598, 13.863, -17.685), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1202, " O " at (-58.370, 13.561, -18.601), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1203, " CB " at (-57.262, 12.006, -16.047), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1204, " CG " at (-57.414, 11.486, -14.645), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 1205, " CD1" at (-56.456, 11.760, -13.682), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 1206, " CD2" at (-58.510, 10.716, -14.293), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 1207, " CE1" at (-56.591, 11.280, -12.391), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 1208, " CE2" at (-58.651, 10.232, -13.006), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 1209, " CZ " at (-57.692, 10.514, -12.053), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 1210, " N " at (-56.501, 14.596, -17.865), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1211, " HN " at (-55.903, 14.778, -17.059), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1212, " CA " at (-56.110, 15.153, -19.156), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1213, " C " at (-54.797, 14.506, -19.574), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1214, " O " at (-53.744, 14.803, -19.000), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1215, " CB " at (-55.977, 16.675, -19.072), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1216, " CG " at (-55.739, 17.324, -20.427), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1217, " OD1" at (-55.591, 16.597, -21.432), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1218, " OD2" at (-55.704, 18.571, -20.484), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1219, " N " at (-54.859, 13.634, -20.582), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1220, " HN " at (-55.756, 13.451, -21.032), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1221, " CA " at (-53.670, 12.941, -21.049), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1222, " C " at (-52.586, 13.857, -21.577), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1223, " O " at (-51.426, 13.442, -21.667), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1224, " N " at (-52.936, 15.095, -21.929), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1225, " HN " at (-53.916, 15.371, -21.870), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1226, " CA " at (-51.951, 16.061, -22.395), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1227, " C " at (-51.024, 16.540, -21.286), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1228, " O " at (-49.993, 17.150, -21.586), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1229, " CB " at (-52.661, 17.256, -23.031), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1230, " CG " at (-53.605, 16.876, -24.160), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1231, " CD " at (-54.442, 18.060, -24.609), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1232, " NE " at (-55.316, 18.547, -23.546), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1233, " HE " at (-55.226, 18.125, -22.622), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1234, " CZ " at (-56.222, 19.506, -23.708), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1235, " NH1" at (-56.376, 20.080, -24.893), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1236, "1HH1" at (-57.071, 20.816, -25.017), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1237, "2HH1" at (-55.796, 19.785, -25.679), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1238, " NH2" at (-56.976, 19.889, -22.687), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1239, "1HH2" at (-57.671, 20.625, -22.811), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1240, "2HH2" at (-56.858, 19.447, -21.775), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1241, " N " at (-51.363, 16.283, -20.027), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1242, " HN " at (-52.249, 15.811, -19.848), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1243, " CA " at (-50.526, 16.645, -18.889), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1244, " C " at (-49.741, 15.416, -18.457), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1245, " O " at (-50.274, 14.299, -18.441), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1246, " CB " at (-51.378, 17.202, -17.732), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1247, " CG1" at (-50.490, 17.698, -16.603), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1248, " CG2" at (-52.289, 18.311, -18.232), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1249, " N " at (-48.470, 15.620, -18.111), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1250, " HN " at (-48.104, 16.572, -18.089), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1251, " CA " at (-47.594, 14.508, -17.764), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1252, " C " at (-48.125, 13.750, -16.554), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1253, " O " at (-48.517, 14.352, -15.550), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1254, " CB " at (-46.179, 15.017, -17.481), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1255, " CG " at (-45.486, 15.538, -18.724), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1256, " OD1" at (-45.847, 15.100, -19.836), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1257, " OD2" at (-44.574, 16.382, -18.589), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1258, " N " at (-48.141, 12.421, -16.660), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1259, " HN " at (-47.879, 11.996, -17.549), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1260, " CA " at (-48.516, 11.560, -15.559), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1261, " C " at (-50.001, 11.381, -15.338), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1262, " O " at (-50.387, 10.545, -14.512), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1263, " N " at (-50.851, 12.129, -16.042), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1264, " HN " at (-50.496, 12.787, -16.736), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1265, " CA " at (-52.288, 12.008, -15.821), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1266, " C " at (-52.858, 10.735, -16.430), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1267, " O " at (-53.876, 10.227, -15.946), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1268, " CB " at (-53.008, 13.232, -16.380), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1269, " CG " at (-52.599, 14.530, -15.712), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1270, " CD " at (-53.751, 15.213, -15.005), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1271, " OE1" at (-54.846, 15.337, -15.553), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1272, " NE2" at (-53.510, 15.658, -13.778), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1273, "1HE2" at (-52.602, 15.555, -13.324), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1274, "2HE2" at (-54.286, 16.118, -13.302), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1275, " N " at (-52.231, 10.211, -17.483), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1276, " HN " at (-51.457, 10.716, -17.914), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1277, " CA " at (-52.645, 8.920, -18.023), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1278, " C " at (-52.388, 7.817, -17.005), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1279, " O " at (-53.248, 6.965, -16.755), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1280, " CB " at (-51.926, 8.636, -19.354), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1281, " CG1" at (-52.268, 7.242, -19.855), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1282, " CG2" at (-52.296, 9.682, -20.390), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1283, " N " at (-51.200, 7.822, -16.395), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1284, " HN " at (-50.513, 8.538, -16.630), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1285, " CA " at (-50.879, 6.811, -15.395), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1286, " C " at (-51.735, 6.979, -14.146), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1287, " O " at (-52.135, 5.987, -13.524), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1288, " CB " at (-49.393, 6.873, -15.048), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1289, " CG " at (-48.970, 5.771, -14.098), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1290, " OD1" at (-48.975, 4.592, -14.512), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1291, " OD2" at (-48.633, 6.084, -12.937), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1292, " N " at (-52.023, 8.226, -13.760), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1293, " HN " at (-51.606, 9.017, -14.250), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1294, " CA " at (-52.931, 8.462, -12.642), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1295, " C " at (-54.321, 7.916, -12.930), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1296, " O " at (-55.006, 7.443, -12.015), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1297, " CB " at (-53.007, 9.958, -12.329), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1298, " CG " at (-51.821, 10.587, -11.592), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1299, " CD1" at (-51.999, 12.093, -11.492), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1300, " CD2" at (-51.668, 9.972, -10.213), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1301, " N " at (-54.752, 7.969, -14.192), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1302, " HN " at (-54.164, 8.393, -14.909), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1303, " CA " at (-56.055, 7.426, -14.554), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1304, " C " at (-56.079, 5.908, -14.440), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1305, " O " at (-57.116, 5.331, -14.093), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1306, " CB " at (-56.427, 7.869, -15.969), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1307, " CG " at (-57.654, 7.196, -16.513), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 1308, " CD1" at (-58.914, 7.562, -16.074), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 1309, " CD2" at (-57.547, 6.204, -17.473), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 1310, " CE1" at (-60.046, 6.946, -16.577), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 1311, " CE2" at (-58.674, 5.585, -17.980), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 1312, " CZ " at (-59.925, 5.958, -17.533), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 1313, " N " at (-54.957, 5.246, -14.735), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1314, " H " at (-54.131, 5.759, -15.044), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1315, " N " at (-54.953, 5.247, -14.718), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1316, " H " at (-54.119, 5.762, -15.000), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1317, " CA " at (-54.907, 3.793, -14.618), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1318, " CA " at (-54.909, 3.792, -14.621), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1319, " C " at (-55.083, 3.341, -13.175), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1320, " C " at (-55.035, 3.318, -13.179), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1321, " O " at (-55.646, 2.270, -12.925), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1322, " O " at (-55.518, 2.207, -12.935), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1323, " CB " at (-53.584, 3.261, -15.170), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1324, " CB " at (-53.617, 3.260, -15.238), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1325, " CG " at (-53.324, 3.570, -16.634), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1326, " CG " at (-53.365, 3.727, -16.659), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1327, " CD " at (-52.050, 2.878, -17.096), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1328, " CD " at (-52.172, 3.008, -17.261), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1329, " NE " at (-51.656, 3.260, -18.449), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1330, " HE " at (-51.038, 4.064, -18.556), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1331, " NE " at (-52.567, 2.126, -18.353), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1332, " HE " at (-53.049, 1.259, -18.116), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1333, " CZ " at (-52.050, 2.629, -19.550), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1334, " CZ " at (-52.339, 2.380, -19.637), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1335, " NH1" at (-51.634, 3.047, -20.738), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1336, "1HH1" at (-51.012, 3.853, -20.803), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1337, "2HH1" at (-51.936, 2.563, -21.583), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1338, " NH1" at (-52.737, 1.520, -20.564), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1339, "1HH1" at (-52.562, 1.715, -21.550), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1340, "2HH1" at (-53.226, 0.668, -20.289), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1341, " NH2" at (-52.859, 1.582, -19.466), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1342, "1HH2" at (-53.179, 1.261, -18.552), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1343, "2HH2" at (-53.161, 1.098, -20.311), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1344, " NH2" at (-51.703, 3.488, -19.995), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1345, "1HH2" at (-51.528, 3.683, -20.981), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1346, "2HH2" at (-51.397, 4.150, -19.282), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1347, " N " at (-54.612, 4.137, -12.219), was assigned atom type "NA" (rec_index= 5, atom_type= 5).
Atom no. 1348, " CA " at (-54.680, 3.792, -10.807), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1349, " C " at (-55.893, 4.387, -10.107), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1350, " O " at (-56.051, 4.190, -8.899), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1351, " CB " at (-53.402, 4.245, -10.095), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1352, " CG " at (-52.155, 3.619, -10.686), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1353, " OD1" at (-51.749, 2.526, -10.291), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1354, " ND2" at (-51.540, 4.309, -11.640), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1355, "1HD2" at (-50.701, 3.888, -12.038), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1356, "2HD2" at (-51.876, 5.215, -11.967), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1357, " N " at (-56.744, 5.108, -10.826), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1358, " HN " at (-56.561, 5.243, -11.820), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1359, " CA " at (-57.930, 5.711, -10.239), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1360, " C " at (-59.100, 4.737, -10.281), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1361, " O " at (-59.244, 3.947, -11.218), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1362, " CB " at (-58.300, 7.003, -10.970), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1363, " N " at (-59.939, 4.801, -9.246), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1364, " HN " at (-59.761, 5.464, -8.491), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1365, " CA " at (-61.109, 3.931, -9.184), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1366, " C " at (-62.159, 4.358, -10.205), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1367, " O " at (-62.567, 3.570, -11.065), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1368, " CB " at (-61.689, 3.935, -7.767), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1369, " CG " at (-62.800, 2.925, -7.552), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1370, " CD " at (-62.802, 2.382, -6.132), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1371, " NE " at (-63.469, 3.271, -5.186), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1372, " HE " at (-63.932, 4.102, -5.554), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1373, " CZ " at (-63.510, 3.063, -3.874), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1374, " NH1" at (-62.914, 1.999, -3.351), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1375, "1HH1" at (-62.945, 1.839, -2.344), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1376, "2HH1" at (-62.428, 1.340, -3.960), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1377, " NH2" at (-64.142, 3.919, -3.083), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1378, "1HH2" at (-64.173, 3.759, -2.076), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1379, "2HH2" at (-64.600, 4.737, -3.485), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1380, " N " at (-62.605, 5.609, -10.125), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1381, " HN " at (-62.274, 6.195, -9.358), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1382, " CA " at (-63.543, 6.182, -11.079), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1383, " C " at (-62.902, 7.409, -11.710), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1384, " O " at (-62.395, 8.281, -10.997), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1385, " CB " at (-64.861, 6.560, -10.400), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1386, " CG " at (-65.357, 5.485, -9.456), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1387, " OD1" at (-65.994, 4.519, -9.875), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1388, " ND2" at (-65.068, 5.650, -8.170), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1389, "1HD2" at (-64.540, 6.451, -7.823), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1390, "2HD2" at (-65.402, 4.926, -7.534), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1391, " N " at (-62.920, 7.476, -13.036), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1392, " HN " at (-63.383, 6.746, -13.577), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1393, " CA " at (-62.282, 8.586, -13.715), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1394, " C " at (-62.631, 8.633, -15.184), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1395, " O " at (-63.104, 7.651, -15.767), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1396, " N " at (-62.383, 9.800, -15.776), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1397, " HN " at (-62.053, 10.573, -15.198), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1398, " CA " at (-62.557, 10.035, -17.204), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1399, " C " at (-61.267, 10.637, -17.742), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1400, " O " at (-60.726, 11.581, -17.156), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1401, " CB " at (-63.752, 10.964, -17.492), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1402, " CG1" at (-63.790, 11.344, -18.965), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1403, " CG2" at (-65.054, 10.295, -17.079), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1404, " N " at (-60.775, 10.092, -18.852), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1405, " HN " at (-61.306, 9.351, -19.309), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1406, " CA " at (-59.512, 10.508, -19.442), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1407, " C " at (-59.725, 10.950, -20.882), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1408, " O " at (-60.507, 10.341, -21.619), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1409, " CB " at (-58.484, 9.370, -19.393), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1410, " CG " at (-57.135, 9.613, -20.074), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1411, " CD1" at (-56.383, 10.752, -19.402), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1412, " CD2" at (-56.298, 8.343, -20.083), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1413, " N " at (-59.030, 12.014, -21.279), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1414, " HN " at (-58.492, 12.531, -20.584), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1415, " CA " at (-59.004, 12.472, -22.661), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1416, " C " at (-57.558, 12.500, -23.133), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1417, " O " at (-56.652, 12.851, -22.369), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1418, " CB " at (-59.663, 13.858, -22.833), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1419, " CG1" at (-58.905, 14.927, -22.041), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1420, " CG2" at (-61.121, 13.811, -22.407), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1421, " CD1" at (-59.212, 16.340, -22.483), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1422, " N " at (-57.341, 12.106, -24.386), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1423, " HN " at (-58.130, 11.776, -24.942), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1424, " CA " at (-56.017, 12.130, -24.991), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1425, " C " at (-56.134, 12.575, -26.441), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1426, " O " at (-57.216, 12.563, -27.033), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1427, " CB " at (-55.321, 10.760, -24.940), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1428, " OG1" at (-56.155, 9.773, -25.558), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1429, " HG1" at (-55.725, 8.926, -25.526), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1430, " CG2" at (-55.016, 10.346, -23.507), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1431, " N " at (-54.995, 12.968, -27.008), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1432, " HN " at (-54.158, 13.055, -26.432), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1433, " CA " at (-54.912, 13.277, -28.428), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1434, " C " at (-54.542, 12.067, -29.271), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1435, " O " at (-54.849, 12.043, -30.468), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1436, " CB " at (-53.886, 14.388, -28.673), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1437, " CG " at (-54.148, 15.673, -27.907), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1438, " CD " at (-53.106, 16.738, -28.197), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1439, " OE1" at (-52.234, 16.499, -29.060), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1440, " OE2" at (-53.155, 17.812, -27.563), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1441, " N " at (-53.893, 11.068, -28.678), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1442, " HN " at (-53.677, 11.137, -27.684), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1443, " CA " at (-53.486, 9.885, -29.407), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1444, " C " at (-53.850, 8.593, -28.706), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1445, " O " at (-54.715, 8.576, -27.824), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1446, " N " at (-53.187, 7.504, -29.084), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1447, " HN " at (-52.420, 7.593, -29.750), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1448, " CA " at (-53.532, 6.189, -28.568), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1449, " C " at (-52.992, 5.990, -27.159), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1450, " O " at (-51.977, 6.571, -26.767), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1451, " CB " at (-52.989, 5.093, -29.484), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1452, " OG " at (-53.667, 5.086, -30.723), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1453, " HG " at (-53.329, 4.405, -31.292), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1454, " N " at (-53.686, 5.151, -26.397), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1455, " HN " at (-54.565, 4.781, -26.758), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1456, " CA " at (-53.250, 4.736, -25.072), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1457, " C " at (-53.132, 3.220, -25.089), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1458, " O " at (-54.114, 2.518, -25.363), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1459, " CB " at (-54.213, 5.210, -23.973), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1460, " CG1" at (-53.779, 4.676, -22.618), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1461, " CG2" at (-54.265, 6.724, -23.948), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1462, " N " at (-51.930, 2.723, -24.811), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1463, " HN " at (-51.180, 3.357, -24.534), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1464, " CA " at (-51.661, 1.294, -24.893), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1465, " C " at (-52.528, 0.515, -23.911), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1466, " O " at (-52.605, 0.850, -22.726), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1467, " CB " at (-50.176, 1.039, -24.629), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1468, " CG " at (-49.851, -0.272, -23.933), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1469, " CD " at (-48.351, -0.379, -23.692), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1470, " CE " at (-48.018, -1.399, -22.616), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1471, " NZ " at (-46.555, -1.434, -22.335), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1472, " HZ1" at (-46.331, -2.119, -21.613), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1473, " HZ2" at (-46.198, -0.509, -22.097), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1474, " HZ3" at (-46.015, -1.597, -23.185), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1475, " N " at (-53.190, -0.524, -24.414), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1476, " HN " at (-53.120, -0.721, -25.412), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1477, " CA " at (-54.006, -1.382, -23.583), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1478, " C " at (-55.392, -0.866, -23.279), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1479, " O " at (-56.051, -1.405, -22.383), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1480, " N " at (-55.860, 0.157, -23.991), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1481, " HN " at (-55.278, 0.551, -24.730), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1482, " CA " at (-57.176, 0.732, -23.749), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1483, " C " at (-57.839, 1.062, -25.076), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1484, " O " at (-57.243, 1.734, -25.923), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1485, " CB " at (-57.078, 1.989, -22.877), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1486, " CG " at (-56.686, 1.763, -21.417), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1487, " CD1" at (-56.551, 3.090, -20.691), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1488, " CD2" at (-57.705, 0.870, -20.726), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1489, " N " at (-59.068, 0.591, -25.249), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1490, " HN " at (-59.494, 0.023, -24.516), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1491, " CA " at (-59.821, 0.869, -26.465), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1492, " C " at (-60.426, 2.268, -26.387), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1493, " O " at (-61.077, 2.600, -25.392), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1494, " CB " at (-60.918, -0.173, -26.663), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1495, " CG " at (-61.461, -0.253, -28.079), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1496, " CD " at (-60.524, -0.973, -29.030), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1497, " OE1" at (-59.403, -1.337, -28.669), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1498, " NE2" at (-60.984, -1.189, -30.256), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1499, "1HE2" at (-60.354, -1.673, -30.896), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1500, "2HE2" at (-61.912, -0.888, -30.555), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1501, " N " at (-60.229, 3.108, -27.399), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1502, " CA " at (-60.659, 4.504, -27.308), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1503, " C " at (-62.073, 4.736, -27.823), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1504, " O " at (-62.666, 3.909, -28.518), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1505, " CB " at (-59.639, 5.225, -28.199), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1506, " CG " at (-59.337, 4.221, -29.262), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1507, " CD " at (-59.424, 2.856, -28.607), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1508, " N " at (-62.602, 5.902, -27.458), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1509, " HN " at (-62.095, 6.475, -26.783), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1510, " CA " at (-63.870, 6.400, -27.976), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1511, " C " at (-63.634, 7.798, -28.524), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1512, " O " at (-63.151, 8.675, -27.802), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1513, " CB " at (-64.950, 6.420, -26.891), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1514, " OG " at (-66.160, 6.964, -27.387), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1515, " HG " at (-66.830, 6.976, -26.714), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1516, " N " at (-63.965, 8.001, -29.794), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1517, " HN " at (-64.399, 7.245, -30.323), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1518, " CA " at (-63.722, 9.281, -30.450), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1519, " C " at (-64.800, 10.271, -30.030), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1520, " O " at (-65.998, 9.970, -30.095), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1521, " CB " at (-63.683, 9.110, -31.976), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1522, " CG1" at (-63.340, 10.429, -32.648), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1523, " CG2" at (-62.677, 8.034, -32.359), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1524, " N " at (-64.377, 11.457, -29.599), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1525, " HN " at (-63.377, 11.657, -29.602), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1526, " CA " at (-65.291, 12.469, -29.127), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1527, " C " at (-65.729, 13.421, -30.221), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1528, " O " at (-65.561, 13.155, -31.415), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1529, " N " at (-66.311, 14.552, -29.830), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1530, " CA " at (-66.750, 15.538, -30.823), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1531, " C " at (-65.566, 16.200, -31.508), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1532, " O " at (-64.437, 16.195, -31.012), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1533, " CB " at (-67.546, 16.555, -29.995), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1534, " CG " at (-67.814, 15.880, -28.680), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1535, " CD " at (-66.665, 14.953, -28.460), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1536, " N " at (-65.845, 16.779, -32.677), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1537, " HN " at (-66.779, 16.693, -33.079), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1538, " CA " at (-64.816, 17.535, -33.381), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1539, " C " at (-64.457, 18.815, -32.641), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1540, " O " at (-63.313, 19.275, -32.720), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1541, " CB " at (-65.275, 17.869, -34.800), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1542, " CG " at (-65.218, 16.711, -35.779), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1543, " CD " at (-65.516, 17.189, -37.192), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1544, " CE " at (-65.308, 16.083, -38.213), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1545, " NZ " at (-66.223, 14.931, -37.982), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1546, " HZ1" at (-66.083, 14.189, -38.667), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1547, " HZ2" at (-67.197, 15.232, -37.955), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1548, " HZ3" at (-66.138, 14.576, -37.029), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1549, " N " at (-65.408, 19.395, -31.917), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1550, " HN " at (-66.290, 18.901, -31.781), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1551, " CA " at (-65.240, 20.706, -31.311), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1552, " C " at (-64.913, 20.592, -29.826), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1553, " O " at (-65.235, 19.604, -29.162), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1554, " CB " at (-66.502, 21.554, -31.500), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1555, " CG " at (-67.707, 21.092, -30.688), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1556, " CD " at (-68.440, 19.922, -31.319), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1557, " OE1" at (-68.001, 19.366, -32.325), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1558, " NE2" at (-69.568, 19.546, -30.728), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1559, "1HE2" at (-69.932, 20.007, -29.894), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1560, "2HE2" at (-70.061, 18.760, -31.152), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1561, " N " at (-64.262, 21.634, -29.313), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1562, " HN " at (-63.965, 22.381, -29.941), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1563, " CA " at (-63.955, 21.755, -27.897), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1564, " C " at (-64.064, 23.221, -27.507), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1565, " O " at (-64.174, 24.106, -28.360), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1566, " CB " at (-62.563, 21.205, -27.567), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1567, " N " at (-64.031, 23.477, -26.203), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1568, " HN " at (-63.906, 22.700, -25.554), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1569, " CA " at (-64.166, 24.825, -25.665), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1570, " C " at (-62.788, 25.386, -25.340), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1571, " O " at (-62.037, 24.789, -24.562), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1572, " CB " at (-65.050, 24.829, -24.418), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1573, " OG " at (-65.064, 26.112, -23.817), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1574, " HG " at (-65.613, 26.114, -23.042), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1575, " N " at (-62.463, 26.531, -25.933), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1576, " HN " at (-63.112, 26.928, -26.612), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1577, " CA " at (-61.221, 27.246, -25.658), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1578, " C " at (-61.577, 28.641, -25.162), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1579, " O " at (-62.008, 29.491, -25.949), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1580, " CB " at (-60.334, 27.315, -26.900), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1581, " CG " at (-59.046, 28.121, -26.734), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1582, " CD1" at (-58.200, 27.543, -25.613), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1583, " CD2" at (-58.263, 28.159, -28.034), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1584, " N " at (-61.398, 28.870, -23.860), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1585, " HN " at (-61.025, 28.120, -23.279), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1586, " CA " at (-61.715, 30.153, -23.230), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1587, " C " at (-63.171, 30.541, -23.471), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1588, " O " at (-63.488, 31.699, -23.747), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1589, " CB " at (-60.772, 31.257, -23.714), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1590, " CG " at (-59.314, 30.860, -23.617), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1591, " OD1" at (-58.564, 30.969, -24.588), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1592, " ND2" at (-58.905, 30.392, -22.444), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1593, "1HD2" at (-59.526, 30.302, -21.640), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1594, "2HD2" at (-57.923, 30.125, -22.379), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1595, " N " at (-64.065, 29.561, -23.368), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1596, " HN " at (-63.754, 28.626, -23.104), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1597, " CA " at (-65.470, 29.796, -23.624), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1598, " C " at (-65.846, 29.890, -25.082), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1599, " O " at (-66.995, 30.228, -25.387), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1600, " N " at (-64.919, 29.609, -25.991), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1601, " HN " at (-63.984, 29.357, -25.671), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1602, " CA " at (-65.177, 29.645, -27.424), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1603, " C " at (-65.161, 28.209, -27.925), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1604, " O " at (-64.111, 27.554, -27.929), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1605, " CB " at (-64.151, 30.505, -28.172), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1606, " CG1" at (-64.488, 30.558, -29.653), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1607, " CG2" at (-64.102, 31.904, -27.580), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1608, " N " at (-66.323, 27.715, -28.336), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1609, " HN " at (-67.165, 28.285, -28.254), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1610, " CA " at (-66.420, 26.377, -28.901), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1611, " C " at (-66.058, 26.426, -30.380), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1612, " O " at (-66.626, 27.216, -31.140), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1613, " CB " at (-67.828, 25.814, -28.711), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1614, " OG1" at (-68.129, 25.741, -27.312), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1615, " HG1" at (-68.065, 26.610, -26.933), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1616, " CG2" at (-67.931, 24.424, -29.317), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1617, " N " at (-65.111, 25.585, -30.787), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1618, " HN " at (-64.740, 24.892, -30.137), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1619, " CA " at (-64.598, 25.640, -32.147), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1620, " C " at (-63.971, 24.303, -32.509), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1621, " O " at (-63.578, 23.521, -31.638), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1622, " CB " at (-63.579, 26.774, -32.309), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1623, " CG " at (-62.397, 26.792, -31.330), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1624, " CD1" at (-61.202, 26.009, -31.864), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1625, " CD2" at (-61.993, 28.219, -30.994), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1626, " N " at (-63.882, 24.057, -33.812), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1627, " HN " at (-64.352, 24.686, -34.463), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1628, " CA " at (-63.139, 22.922, -34.347), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1629, " C " at (-61.735, 23.418, -34.669), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1630, " O " at (-61.542, 24.215, -35.592), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1631, " CB " at (-63.824, 22.327, -35.582), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1632, " CG1" at (-65.220, 21.818, -35.215), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1633, " CG2" at (-62.982, 21.202, -36.165), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1634, " CD1" at (-65.968, 21.191, -36.369), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1635, " N " at (-60.754, 22.944, -33.907), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1636, " HN " at (-60.936, 22.164, -33.275), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1637, " CA " at (-59.427, 23.528, -33.967), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1638, " C " at (-58.740, 23.273, -35.298), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1639, " O " at (-58.862, 22.203, -35.896), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1640, " N " at (-58.010, 24.282, -35.761), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1641, " HN " at (-58.050, 25.172, -35.264), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1642, " CA " at (-57.156, 24.190, -36.937), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1643, " C " at (-55.688, 24.395, -36.608), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1644, " O " at (-54.837, 23.655, -37.110), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1645, " CB " at (-57.595, 25.215, -37.991), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1646, " CG " at (-59.042, 25.060, -38.431), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1647, " CD " at (-59.482, 26.147, -39.391), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1648, " OE1" at (-58.686, 27.074, -39.651), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1649, " OE2" at (-60.626, 26.074, -39.887), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1650, " N " at (-55.368, 25.386, -35.780), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1651, " HN " at (-56.091, 26.056, -35.518), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1652, " CA " at (-54.031, 25.555, -35.232), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1653, " C " at (-53.853, 24.828, -33.906), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1654, " O " at (-52.776, 24.910, -33.307), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1655, " CB " at (-53.714, 27.042, -35.050), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1656, " N " at (-54.888, 24.129, -33.436), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1657, " HN " at (-55.756, 24.125, -33.972), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1658, " CA " at (-54.836, 23.372, -32.193), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1659, " C " at (-55.769, 22.178, -32.343), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1660, " O " at (-56.659, 22.163, -33.195), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1661, " CB " at (-55.220, 24.242, -30.970), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1662, " CG1" at (-56.727, 24.444, -30.904), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1663, " CG2" at (-54.681, 23.637, -29.678), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1664, " N " at (-55.553, 21.161, -31.514), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1665, " HN " at (-54.848, 21.265, -30.784), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1666, " CA " at (-56.284, 19.903, -31.608), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1667, " C " at (-57.441, 19.916, -30.615), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1668, " O " at (-57.229, 20.108, -29.413), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1669, " CB " at (-55.351, 18.722, -31.343), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1670, " CG " at (-55.762, 17.434, -32.034), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1671, " CD " at (-54.547, 16.568, -32.327), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1672, " CE " at (-53.547, 17.310, -33.203), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1673, " NZ " at (-52.348, 16.484, -33.517), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1674, " HZ1" at (-51.678, 16.981, -34.104), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1675, " HZ2" at (-52.614, 15.593, -33.936), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1676, " HZ3" at (-51.906, 16.138, -32.665), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1677, " N " at (-58.661, 19.710, -31.120), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1678, " HN " at (-58.755, 19.514, -32.117), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1679, " CA " at (-59.860, 19.756, -30.296), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1680, " C " at (-60.625, 18.440, -30.229), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1681, " O " at (-61.536, 18.321, -29.402), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1682, " CB " at (-60.814, 20.856, -30.794), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1683, " OG1" at (-61.054, 20.690, -32.196), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1684, " HG1" at (-61.643, 21.369, -32.503), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1685, " CG2" at (-60.219, 22.232, -30.546), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1686, " N " at (-60.295, 17.457, -31.063), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1687, " HN " at (-59.549, 17.618, -31.740), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1688, " CA " at (-60.959, 16.159, -31.046), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1689, " C " at (-60.117, 15.189, -30.227), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1690, " O " at (-58.952, 14.943, -30.557), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1691, " CB " at (-61.171, 15.635, -32.466), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1692, " CG " at (-62.081, 14.419, -32.553), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1693, " CD " at (-62.515, 14.117, -33.975), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1694, " OE1" at (-61.838, 14.486, -34.935), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1695, " NE2" at (-63.655, 13.450, -34.117), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1696, "1HE2" at (-64.216, 13.144, -33.322), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1697, "2HE2" at (-63.947, 13.247, -35.073), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1698, " N " at (-60.701, 14.644, -29.165), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1699, " HN " at (-61.695, 14.812, -29.012), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1700, " CA " at (-59.978, 13.817, -28.212), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1701, " C " at (-60.459, 12.373, -28.263), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1702, " O " at (-61.511, 12.053, -28.823), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1703, " CB " at (-60.137, 14.360, -26.786), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1704, " CG " at (-59.974, 15.848, -26.677), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 1705, " CD1" at (-58.745, 16.444, -26.909), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 1706, " CD2" at (-61.047, 16.650, -26.326), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 1707, " CE1" at (-58.594, 17.816, -26.804), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 1708, " CE2" at (-60.903, 18.022, -26.219), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 1709, " CZ " at (-59.675, 18.605, -26.458), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 1710, " N " at (-59.660, 11.499, -27.659), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1711, " HN " at (-58.721, 11.798, -27.397), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1712, " CA " at (-60.066, 10.135, -27.355), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1713, " C " at (-60.558, 10.087, -25.915), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1714, " O " at (-59.907, 10.631, -25.017), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1715, " CB " at (-58.908, 9.155, -27.551), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1716, " CG " at (-58.489, 9.031, -29.002), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1717, " OD1" at (-59.292, 9.237, -29.911), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1718, " ND2" at (-57.227, 8.688, -29.225), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1719, "1HD2" at (-56.561, 8.517, -28.471), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1720, "2HD2" at (-56.945, 8.605, -30.202), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1721, " N " at (-61.698, 9.441, -25.696), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1722, " HN " at (-62.144, 8.953, -26.473), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1723, " CA " at (-62.334, 9.404, -24.388), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1724, " C " at (-62.207, 8.021, -23.765), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1725, " O " at (-62.275, 7.003, -24.462), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1726, " CB " at (-63.808, 9.804, -24.485), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1727, " CG " at (-64.024, 11.298, -24.552), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 1728, " CD1" at (-64.349, 12.023, -23.412), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 1729, " CD2" at (-63.893, 11.986, -25.751), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 1730, " CE1" at (-64.545, 13.390, -23.467), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 1731, " CE2" at (-64.086, 13.352, -25.815), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 1732, " CZ " at (-64.411, 14.049, -24.670), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 1733, " OH " at (-64.605, 15.408, -24.732), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1734, " HH " at (-64.829, 15.888, -23.943), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1735, " N " at (-62.017, 7.998, -22.448), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1736, " HN " at (-61.965, 8.887, -21.950), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1737, " CA " at (-61.880, 6.769, -21.683), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1738, " C " at (-62.561, 6.965, -20.338), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1739, " O " at (-62.536, 8.066, -19.781), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1740, " CB " at (-60.405, 6.395, -21.476), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1741, " CG " at (-59.560, 6.455, -22.731), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 1742, " CD1" at (-58.957, 7.642, -23.131), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 1743, " CD2" at (-59.355, 5.323, -23.509), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 1744, " CE1" at (-58.183, 7.701, -24.275), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 1745, " CE2" at (-58.579, 5.373, -24.652), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 1746, " CZ " at (-57.998, 6.564, -25.031), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 1747, " OH " at (-57.226, 6.616, -26.170), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1748, " HH " at (-56.826, 7.437, -26.431), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1749, " N " at (-63.169, 5.900, -19.816), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1750, " HN " at (-63.126, 5.008, -20.310), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1751, " CA " at (-63.893, 5.983, -18.556), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1752, " C " at (-63.698, 4.706, -17.754), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1753, " O " at (-63.698, 3.605, -18.311), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1754, " CB " at (-65.391, 6.231, -18.786), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1755, " CG " at (-66.175, 6.504, -17.511), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1756, " CD " at (-67.635, 6.808, -17.806), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1757, " CE " at (-68.406, 7.087, -16.525), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1758, " NZ " at (-69.848, 7.357, -16.785), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1759, " HZ1" at (-70.365, 7.544, -15.926), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1760, " HZ2" at (-70.276, 6.598, -17.316), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1761, " HZ3" at (-69.966, 8.113, -17.459), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1762, " N " at (-63.532, 4.865, -16.442), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1763, " HN " at (-63.485, 5.814, -16.071), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1764, " CA " at (-63.414, 3.753, -15.512), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1765, " C " at (-64.443, 3.914, -14.405), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1766, " O " at (-64.664, 5.022, -13.909), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1767, " CB " at (-62.009, 3.671, -14.904), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1768, " CG " at (-60.952, 3.136, -15.851), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1769, " CD " at (-59.573, 3.165, -15.211), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1770, " CE " at (-59.513, 2.276, -13.981), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1771, " NZ " at (-58.201, 2.384, -13.287), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1772, " HZ1" at (-58.161, 1.787, -12.461), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1773, " HZ2" at (-57.981, 3.353, -13.057), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1774, " HZ3" at (-57.427, 2.192, -13.923), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1775, " N " at (-65.071, 2.805, -14.024), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1776, " HN " at (-64.854, 1.931, -14.504), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1777, " CA " at (-66.057, 2.785, -12.949), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1778, " C " at (-65.662, 1.692, -11.968), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1779, " O " at (-65.582, 0.516, -12.345), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1780, " CB " at (-67.484, 2.553, -13.473), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1781, " CG1" at (-68.434, 2.295, -12.316), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1782, " CG2" at (-67.951, 3.751, -14.285), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1783, " N " at (-65.418, 2.080, -10.715), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1784, " HN " at (-65.505, 3.070, -10.487), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1785, " CA " at (-65.031, 1.150, -9.653), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1786, " C " at (-63.825, 0.309, -10.065), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1787, " O " at (-63.771, -0.900, -9.831), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1788, " CB " at (-66.208, 0.264, -9.242), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1789, " CG " at (-67.301, 1.044, -8.535), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1790, " OD1" at (-66.973, 2.025, -7.835), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1791, " OD2" at (-68.487, 0.678, -8.680), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1792, " N " at (-62.845, 0.963, -10.688), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1793, " HN " at (-62.951, 1.964, -10.856), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1794, " CA " at (-61.638, 0.305, -11.134), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1795, " C " at (-61.747, -0.422, -12.455), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1796, " O " at (-60.716, -0.843, -12.997), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1797, " N " at (-62.950, -0.582, -12.997), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1798, " HN " at (-63.756, -0.170, -12.526), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1799, " CA " at (-63.168, -1.320, -14.235), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1800, " C " at (-63.313, -0.328, -15.380), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1801, " O " at (-64.142, 0.589, -15.317), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1802, " CB " at (-64.407, -2.224, -14.133), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1803, " CG1" at (-64.665, -2.921, -15.461), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1804, " CG2" at (-64.231, -3.241, -13.015), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1805, " N " at (-62.506, -0.512, -16.426), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1806, " HN " at (-61.792, -1.240, -16.387), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1807, " CA " at (-62.627, 0.309, -17.623), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1808, " C " at (-63.972, 0.044, -18.283), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1809, " O " at (-64.430, -1.103, -18.368), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1810, " CB " at (-61.467, 0.022, -18.590), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1811, " CG1" at (-61.548, 0.927, -19.810), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1812, " CG2" at (-60.132, 0.186, -17.881), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1813, " N " at (-64.615, 1.108, -18.749), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1814, " HN " at (-64.179, 2.026, -18.657), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1815, " CA " at (-65.918, 1.012, -19.386), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1816, " C " at (-65.784, 1.137, -20.898), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1817, " O " at (-64.867, 1.785, -21.407), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1818, " CB " at (-66.861, 2.097, -18.863), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1819, " CG " at (-67.012, 2.100, -17.356), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1820, " CD " at (-67.547, 0.787, -16.825), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1821, " OE1" at (-68.710, 0.446, -17.039), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1822, " NE2" at (-66.696, 0.037, -16.134), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1823, "1HE2" at (-65.732, 0.320, -15.957), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1824, "2HE2" at (-67.056, -0.848, -15.776), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1825, " N " at (-66.710, 0.504, -21.611), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1826, " HN " at (-67.368, -0.107, -21.128), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1827, " CA " at (-66.821, 0.650, -23.057), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1828, " C " at (-67.913, 1.674, -23.340), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1829, " O " at (-69.089, 1.435, -23.045), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1830, " CB " at (-67.130, -0.686, -23.729), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1831, " CG " at (-67.339, -0.570, -25.233), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1832, " CD " at (-67.469, -1.918, -25.913), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1833, " OE1" at (-67.349, -2.964, -25.275), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1834, " NE2" at (-67.713, -1.899, -27.218), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1835, "1HE2" at (-67.812, -1.032, -27.747), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1836, "2HE2" at (-67.801, -2.806, -27.676), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1837, " N " at (-67.523, 2.812, -23.901), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1838, " HN " at (-66.544, 2.941, -24.156), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1839, " CA " at (-68.481, 3.875, -24.154), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1840, " C " at (-69.377, 3.507, -25.335), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1841, " O " at (-68.904, 2.934, -26.322), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1842, " CB " at (-67.755, 5.192, -24.421), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1843, " CG " at (-66.936, 5.712, -23.237), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1844, " CD1" at (-66.232, 7.014, -23.581), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1845, " CD2" at (-67.818, 5.889, -22.009), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1846, " N " at (-70.667, 3.820, -25.268), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1847, " CA " at (-71.600, 3.373, -26.304), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1848, " C " at (-71.510, 4.232, -27.558), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1849, " O " at (-70.893, 5.297, -27.580), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1850, " CB " at (-72.965, 3.532, -25.628), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1851, " CG " at (-72.767, 4.687, -24.705), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1852, " CD " at (-71.348, 4.578, -24.202), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1853, " N " at (-72.140, 3.732, -28.621), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1854, " HN " at (-72.491, 2.775, -28.596), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1855, " CA " at (-72.332, 4.539, -29.817), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1856, " C " at (-73.151, 5.773, -29.471), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1857, " O " at (-74.188, 5.677, -28.809), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1858, " CB " at (-73.040, 3.732, -30.905), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1859, " CG " at (-72.178, 2.699, -31.602), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1860, " CD " at (-72.846, 2.146, -32.847), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1861, " OE1" at (-73.936, 2.640, -33.203), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1862, " OE2" at (-72.281, 1.222, -33.469), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1863, " N " at (-72.686, 6.935, -29.917), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1864, " HN " at (-71.852, 6.954, -30.504), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1865, " CA " at (-73.355, 8.180, -29.576), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1866, " C " at (-73.257, 9.163, -30.731), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1867, " O " at (-72.253, 9.201, -31.448), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1868, " CB " at (-72.762, 8.811, -28.309), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1869, " OG1" at (-73.359, 10.094, -28.088), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1870, " HG1" at (-74.300, 9.992, -28.005), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1871, " CG2" at (-71.259, 8.974, -28.441), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1872, " N " at (-74.319, 9.940, -30.913), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1873, " HN " at (-75.204, 9.690, -30.471), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1874, " CA " at (-74.245, 11.136, -31.727), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1875, " C " at (-73.661, 12.277, -30.899), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1876, " O " at (-73.520, 12.184, -29.677), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1877, " CB " at (-75.624, 11.520, -32.260), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1878, " CG " at (-76.227, 10.526, -33.228), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 1879, " CD1" at (-75.875, 10.536, -34.572), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 1880, " CD2" at (-77.162, 9.591, -32.802), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 1881, " CE1" at (-76.429, 9.633, -35.463), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 1882, " CE2" at (-77.722, 8.685, -33.686), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 1883, " CZ " at (-77.352, 8.711, -35.015), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 1884, " OH " at (-77.906, 7.811, -35.897), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1885, " HH " at (-78.542, 7.176, -35.588), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1886, " N " at (-73.319, 13.367, -31.576), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1887, " HN " at (-73.429, 13.378, -32.590), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1888, " CA " at (-72.792, 14.545, -30.906), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1889, " C " at (-73.508, 15.788, -31.404), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1890, " O " at (-73.739, 15.944, -32.607), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1891, " CB " at (-71.282, 14.690, -31.121), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1892, " CG " at (-70.471, 13.635, -30.430), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 1893, " CD1" at (-70.513, 13.507, -29.052), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 1894, " CD2" at (-69.663, 12.775, -31.155), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 1895, " CE1" at (-69.769, 12.537, -28.409), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 1896, " CE2" at (-68.914, 11.803, -30.518), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 1897, " CZ " at (-68.967, 11.684, -29.144), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 1898, " N " at (-73.865, 16.665, -30.470), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1899, " HN " at (-73.755, 16.425, -29.485), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1900, " CA " at (-74.409, 17.959, -30.838), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1901, " C " at (-73.307, 18.841, -31.418), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1902, " O " at (-72.119, 18.667, -31.135), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1903, " CB " at (-75.059, 18.635, -29.630), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1904, " OG1" at (-74.154, 18.610, -28.520), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1905, " HG1" at (-73.352, 19.059, -28.760), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1906, " CG2" at (-76.341, 17.917, -29.247), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1907, " N " at (-73.717, 19.798, -32.247), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1908, " HN " at (-74.717, 19.961, -32.361), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1909, " CA " at (-72.774, 20.618, -32.995), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1910, " C " at (-72.353, 21.885, -32.261), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1911, " O " at (-71.373, 22.516, -32.671), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1912, " CB " at (-73.371, 20.986, -34.356), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1913, " CG " at (-73.673, 19.780, -35.228), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1914, " CD " at (-72.432, 18.969, -35.547), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1915, " OE1" at (-71.390, 19.520, -35.899), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1916, " NE2" at (-72.536, 17.652, -35.416), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1917, "1HE2" at (-71.701, 17.106, -35.631), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1918, "2HE2" at (-73.400, 17.195, -35.124), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1919, " N " at (-73.068, 22.272, -31.202), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1920, " HN " at (-73.921, 21.760, -30.976), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1921, " CA " at (-72.682, 23.400, -30.349), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1922, " C " at (-72.591, 24.708, -31.135), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1923, " O " at (-71.713, 25.537, -30.892), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1924, " CB " at (-71.364, 23.117, -29.625), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1925, " OG " at (-71.428, 21.902, -28.899), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1926, " HG " at (-70.610, 21.726, -28.450), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1927, " N " at (-73.504, 24.899, -32.080), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1928, " HN " at (-74.182, 24.163, -32.275), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1929, " CA " at (-73.557, 26.137, -32.843), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1930, " C " at (-74.535, 27.118, -32.197), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1931, " O " at (-75.243, 26.793, -31.241), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1932, " CB " at (-73.945, 25.851, -34.295), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1933, " CG " at (-72.875, 25.098, -35.072), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1934, " CD " at (-73.376, 24.618, -36.425), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1935, " NE " at (-74.323, 23.514, -36.301), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1936, " HE " at (-74.709, 23.318, -35.377), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1937, " CZ " at (-74.715, 22.748, -37.314), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1938, " NH1" at (-74.238, 22.962, -38.533), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1939, "1HH1" at (-74.539, 22.374, -39.310), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1940, "2HH1" at (-73.570, 23.717, -38.691), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1941, " NH2" at (-75.583, 21.767, -37.109), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1942, "1HH2" at (-75.884, 21.179, -37.886), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1943, "2HH2" at (-75.950, 21.602, -36.172), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1944, " N " at (-74.559, 28.342, -32.722), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1945, " HN " at (-73.923, 28.564, -33.488), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1946, " CA " at (-75.465, 29.372, -32.236), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1947, " C " at (-76.171, 30.037, -33.411), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1948, " O " at (-75.758, 29.909, -34.566), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1949, " CB " at (-74.734, 30.427, -31.390), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1950, " CG " at (-73.650, 31.145, -32.162), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1951, " OD1" at (-73.930, 32.031, -32.969), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1952, " ND2" at (-72.400, 30.774, -31.911), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1953, "1HD2" at (-71.669, 31.258, -32.432), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1954, "2HD2" at (-72.168, 30.040, -31.242), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1955, " N " at (-77.243, 30.765, -33.090), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1956, " HN " at (-77.454, 30.935, -32.107), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1957, " CA " at (-78.120, 31.323, -34.117), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1958, " C " at (-77.404, 32.367, -34.965), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1959, " O " at (-77.381, 32.274, -36.198), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1960, " CB " at (-79.363, 31.932, -33.467), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1961, " CG " at (-80.449, 30.959, -33.018), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1962, " CD1" at (-81.656, 31.723, -32.510), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1963, " CD2" at (-80.831, 30.056, -34.171), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1964, " N " at (-76.832, 33.384, -34.316), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1965, " HN " at (-76.816, 33.385, -33.296), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1966, " CA " at (-76.230, 34.494, -35.048), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1967, " C " at (-75.130, 34.016, -35.986), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1968, " O " at (-75.016, 34.496, -37.119), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1969, " CB " at (-75.678, 35.525, -34.064), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1970, " CG " at (-76.743, 36.317, -33.327), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1971, " CD " at (-77.311, 37.444, -34.166), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1972, " OE1" at (-76.759, 37.797, -35.209), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1973, " NE2" at (-78.418, 38.020, -33.712), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1974, "1HE2" at (-78.875, 37.728, -32.848), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1975, "2HE2" at (-78.800, 38.779, -34.277), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1976, " N " at (-74.317, 33.064, -35.535), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1977, " HN " at (-74.527, 32.627, -34.638), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1978, " CA " at (-73.140, 32.619, -36.268), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1979, " C " at (-73.284, 31.186, -36.772), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1980, " O " at (-72.300, 30.446, -36.838), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1981, " CB " at (-71.899, 32.752, -35.388), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1982, " CG " at (-71.696, 34.146, -34.811), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1983, " CD " at (-71.134, 34.120, -33.402), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1984, " OE1" at (-71.921, 33.946, -32.448), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1985, " OE2" at (-69.903, 34.267, -33.248), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1986, " N " at (-74.499, 30.781, -37.130), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1987, " HN " at (-75.284, 31.431, -37.079), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 1988, " CA " at (-74.719, 29.418, -37.594), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1989, " C " at (-74.086, 29.218, -38.964), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1990, " O " at (-74.273, 30.032, -39.873), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 1991, " CB " at (-76.213, 29.107, -37.654), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 1992, " CG " at (-76.520, 27.644, -37.821), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 1993, " CD1" at (-76.515, 27.056, -39.077), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 1994, " CD2" at (-76.812, 26.857, -36.720), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 1995, " CE1" at (-76.794, 25.712, -39.229), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 1996, " CE2" at (-77.094, 25.512, -36.868), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 1997, " CZ " at (-77.085, 24.940, -38.123), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 1998, " N " at (-73.337, 28.126, -39.110), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 1999, " HN " at (-73.215, 27.503, -38.311), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2000, " CA " at (-72.687, 27.790, -40.365), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2001, " C " at (-73.014, 26.337, -40.708), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2002, " O " at (-72.901, 25.458, -39.837), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2003, " CB " at (-71.167, 27.993, -40.281), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2004, " CG " at (-70.748, 29.265, -39.558), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2005, " CD " at (-69.623, 29.979, -40.286), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2006, " CE " at (-70.109, 30.555, -41.605), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2007, " NZ " at (-71.254, 31.487, -41.406), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2008, " HZ1" at (-71.580, 31.874, -42.292), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2009, " HZ2" at (-71.024, 32.224, -40.740), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2010, " HZ3" at (-72.013, 31.040, -40.892), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2011, " N " at (-73.418, 26.050, -41.941), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2012, " CA " at (-73.745, 24.666, -42.300), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2013, " C " at (-72.496, 23.805, -42.389), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2014, " O " at (-71.426, 24.259, -42.802), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2015, " CB " at (-74.424, 24.807, -43.667), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2016, " CG " at (-73.835, 26.054, -44.238), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2017, " CD " at (-73.602, 26.977, -43.071), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2018, " N " at (-72.644, 22.539, -41.993), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2019, " HN " at (-73.565, 22.221, -41.691), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2020, " CA " at (-71.532, 21.596, -41.978), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2021, " C " at (-71.789, 20.383, -42.867), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2022, " O " at (-71.110, 19.362, -42.727), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2023, " CB " at (-71.226, 21.160, -40.544), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2024, " CG " at (-70.699, 22.289, -39.672), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2025, " CD " at (-70.515, 21.861, -38.225), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2026, " NE " at (-69.962, 22.943, -37.414), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2027, " HE " at (-69.654, 23.788, -37.895), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2028, " CZ " at (-69.833, 22.901, -36.092), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2029, " NH1" at (-70.223, 21.828, -35.418), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2030, "1HH1" at (-70.620, 21.033, -35.918), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2031, "2HH1" at (-70.124, 21.796, -34.403), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2032, " NH2" at (-69.317, 23.935, -35.442), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2033, "1HH2" at (-69.017, 24.761, -35.961), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2034, "2HH2" at (-69.218, 23.903, -34.427), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2035, " N " at (-72.754, 20.476, -43.779), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2036, " HN " at (-73.331, 21.316, -43.805), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2037, " CA " at (-73.010, 19.414, -44.741), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2038, " C " at (-73.781, 20.002, -45.911), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2039, " O " at (-74.445, 21.034, -45.782), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2040, " CB " at (-73.789, 18.251, -44.117), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2041, " OG " at (-75.154, 18.589, -43.934), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2042, " HG " at (-75.637, 17.868, -43.547), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2043, " N " at (-73.684, 19.327, -47.060), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2044, " HN " at (-73.092, 18.498, -47.114), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2045, " CA " at (-74.423, 19.771, -48.239), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2046, " C " at (-75.925, 19.760, -47.990), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2047, " O " at (-76.651, 20.600, -48.533), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2048, " CB " at (-74.076, 18.892, -49.442), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2049, " CG " at (-74.729, 19.330, -50.745), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2050, " CD " at (-74.175, 20.642, -51.268), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2051, " OE1" at (-72.965, 20.871, -51.246), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2052, " NE2" at (-75.060, 21.513, -51.741), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2053, "1HE2" at (-76.062, 21.323, -51.759), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2054, "2HE2" at (-74.688, 22.395, -52.093), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2055, " N " at (-76.406, 18.823, -47.170), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2056, " HN " at (-75.783, 18.107, -46.796), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2057, " CA " at (-77.818, 18.817, -46.806), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2058, " C " at (-78.187, 20.076, -46.031), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2059, " O " at (-79.225, 20.694, -46.292), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2060, " CB " at (-78.143, 17.565, -45.992), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2061, " CG " at (-79.602, 17.447, -45.591), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2062, " SD " at (-79.913, 16.039, -44.509), was assigned atom type "SA" (rec_index= 7, atom_type= 7).
Atom no. 2063, " CE " at (-79.455, 14.679, -45.580), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2064, " N " at (-77.343, 20.474, -45.075), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2065, " HN " at (-76.523, 19.909, -44.854), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2066, " CA " at (-77.589, 21.714, -44.346), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2067, " C " at (-77.465, 22.923, -45.261), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2068, " O " at (-78.234, 23.883, -45.136), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2069, " CB " at (-76.623, 21.834, -43.168), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2070, " CG " at (-76.815, 20.782, -42.094), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2071, " CD " at (-76.063, 21.111, -40.821), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2072, " OE1" at (-75.098, 21.900, -40.885), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2073, " OE2" at (-76.444, 20.587, -39.753), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2074, " N " at (-76.499, 22.899, -46.182), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2075, " HN " at (-75.843, 22.118, -46.206), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2076, " CA " at (-76.372, 23.979, -47.155), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2077, " C " at (-77.631, 24.070, -48.006), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2078, " O " at (-78.164, 25.161, -48.239), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2079, " CB " at (-75.116, 23.773, -48.022), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2080, " CG1" at (-73.853, 23.851, -47.163), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2081, " CG2" at (-75.062, 24.803, -49.141), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2082, " CD1" at (-72.575, 23.591, -47.931), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2083, " N " at (-78.132, 22.925, -48.474), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2084, " HN " at (-77.650, 22.046, -48.287), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2085, " CA " at (-79.366, 22.926, -49.251), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2086, " C " at (-80.568, 23.300, -48.395), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2087, " O " at (-81.512, 23.920, -48.896), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2088, " CB " at (-79.579, 21.561, -49.903), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2089, " CG " at (-78.540, 21.253, -50.963), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2090, " OD1" at (-77.706, 22.137, -51.252), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2091, " OD2" at (-78.558, 20.129, -51.507), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2092, " N " at (-80.554, 22.939, -47.109), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2093, " HN " at (-79.763, 22.414, -46.736), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2094, " CA " at (-81.668, 23.294, -46.236), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2095, " C " at (-81.815, 24.804, -46.118), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2096, " O " at (-82.932, 25.333, -46.158), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2097, " CB " at (-81.478, 22.667, -44.855), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2098, " CG " at (-82.519, 23.083, -43.854), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2099, " CD1" at (-83.740, 22.432, -43.793), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2100, " CD2" at (-82.278, 24.127, -42.976), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2101, " CE1" at (-84.698, 22.815, -42.875), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2102, " CE2" at (-83.232, 24.514, -42.057), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2103, " CZ " at (-84.444, 23.858, -42.006), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2104, " N " at (-80.698, 25.514, -45.972), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2105, " HN " at (-79.796, 25.038, -45.962), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2106, " CA " at (-80.748, 26.963, -45.827), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2107, " C " at (-80.994, 27.664, -47.156), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2108, " O " at (-81.658, 28.706, -47.186), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2109, " CB " at (-79.449, 27.464, -45.196), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2110, " CG " at (-79.150, 26.895, -43.807), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2111, " CD1" at (-77.730, 27.229, -43.378), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2112, " CD2" at (-80.159, 27.419, -42.796), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2113, " N " at (-80.480, 27.113, -48.256), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2114, " HN " at (-79.972, 26.231, -48.190), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2115, " CA " at (-80.639, 27.762, -49.552), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2116, " C " at (-82.016, 27.496, -50.149), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2117, " O " at (-82.697, 28.425, -50.595), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2118, " CB " at (-79.545, 27.294, -50.513), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2119, " CG " at (-78.151, 27.798, -50.176), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2120, " CD " at (-77.108, 27.342, -51.181), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2121, " OE1" at (-77.360, 26.348, -51.897), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2122, " OE2" at (-76.036, 27.980, -51.259), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2123, " N " at (-82.441, 26.236, -50.164), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2124, " HN " at (-81.888, 25.516, -49.700), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2125, " CA " at (-83.679, 25.866, -50.830), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2126, " C " at (-84.890, 26.217, -49.968), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2127, " O " at (-84.778, 26.542, -48.782), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2128, " CB " at (-83.687, 24.374, -51.157), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2129, " CG " at (-82.513, 23.840, -51.976), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2130, " CD1" at (-82.629, 22.334, -52.145), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2131, " CD2" at (-82.441, 24.534, -53.327), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2132, " N " at (-86.064, 26.146, -50.589), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2133, " HN " at (-86.083, 25.954, -51.591), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2134, " CA " at (-87.320, 26.333, -49.885), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2135, " C " at (-87.758, 25.025, -49.229), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2136, " O " at (-87.176, 23.960, -49.451), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2137, " CB " at (-88.399, 26.844, -50.838), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2138, " N " at (-88.810, 25.115, -48.413), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2139, " HN " at (-89.304, 26.003, -48.320), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2140, " CA " at (-89.261, 23.953, -47.651), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2141, " C " at (-89.757, 22.844, -48.571), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2142, " O " at (-89.301, 21.699, -48.482), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2143, " CB " at (-90.354, 24.366, -46.667), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2144, " CG " at (-90.922, 23.212, -45.861), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2145, " SD " at (-92.080, 23.758, -44.594), was assigned atom type "SA" (rec_index= 7, atom_type= 7).
Atom no. 2146, " CE " at (-93.397, 24.426, -45.607), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2147, " N " at (-90.696, 23.168, -49.464), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2148, " HN " at (-91.033, 24.129, -49.519), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2149, " CA " at (-91.244, 22.156, -50.362), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2150, " C " at (-90.170, 21.592, -51.282), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2151, " O " at (-90.168, 20.393, -51.585), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2152, " CB " at (-92.392, 22.746, -51.179), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2153, " CG " at (-93.614, 23.048, -50.335), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2154, " OD1" at (-93.673, 22.576, -49.180), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2155, " OD2" at (-94.515, 23.759, -50.828), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2156, " N " at (-89.246, 22.441, -51.735), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2157, " HN " at (-89.273, 23.420, -51.450), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2158, " CA " at (-88.197, 21.976, -52.636), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2159, " C " at (-87.186, 21.104, -51.902), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2160, " O " at (-86.663, 20.137, -52.470), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2161, " CB " at (-87.508, 23.173, -53.290), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2162, " CG " at (-86.555, 22.813, -54.415), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2163, " CD " at (-85.972, 24.039, -55.091), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2164, " OE1" at (-86.227, 25.162, -54.606), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2165, " OE2" at (-85.261, 23.882, -56.106), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2166, " N " at (-86.902, 21.424, -50.638), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2167, " HN " at (-87.362, 22.224, -50.203), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2168, " CA " at (-85.938, 20.639, -49.873), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2169, " C " at (-86.504, 19.275, -49.499), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2170, " O " at (-85.807, 18.259, -49.601), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2171, " CB " at (-85.514, 21.406, -48.621), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2172, " CG " at (-84.559, 20.653, -47.742), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2173, " CD1" at (-83.204, 20.636, -48.025), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2174, " CD2" at (-85.014, 19.965, -46.628), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2175, " CE1" at (-82.320, 19.945, -47.217), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2176, " CE2" at (-84.136, 19.272, -45.817), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2177, " CZ " at (-82.787, 19.262, -46.112), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2178, " N " at (-87.764, 19.234, -49.058), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2179, " HN " at (-88.304, 20.097, -48.991), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2180, " CA " at (-88.376, 17.967, -48.671), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2181, " C " at (-88.500, 17.038, -49.872), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2182, " O " at (-88.360, 15.816, -49.741), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2183, " CB " at (-89.739, 18.228, -47.999), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2184, " CG1" at (-89.546, 19.041, -46.716), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2185, " CG2" at (-90.458, 16.922, -47.695), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2186, " CD1" at (-90.834, 19.389, -46.009), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2187, " N " at (-88.742, 17.595, -51.061), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2188, " HN " at (-88.868, 18.605, -51.133), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2189, " CA " at (-88.827, 16.766, -52.258), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2190, " C " at (-87.459, 16.223, -52.654), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2191, " O " at (-87.338, 15.057, -53.046), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2192, " CB " at (-89.437, 17.564, -53.410), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2193, " CG " at (-89.437, 16.829, -54.740), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2194, " CD " at (-89.869, 17.711, -55.894), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2195, " OE1" at (-90.205, 18.889, -55.649), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2196, " OE2" at (-89.870, 17.228, -57.046), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2197, " N " at (-86.418, 17.054, -52.554), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2198, " HN " at (-86.551, 17.987, -52.164), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2199, " CA " at (-85.091, 16.637, -52.999), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2200, " C " at (-84.562, 15.475, -52.168), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2201, " O " at (-83.985, 14.525, -52.710), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2202, " CB " at (-84.123, 17.818, -52.943), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2203, " CG " at (-82.675, 17.442, -53.214), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2204, " CD " at (-81.825, 18.672, -53.470), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2205, " NE " at (-82.357, 19.466, -54.572), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2206, " HE " at (-83.238, 19.169, -54.991), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2207, " CZ " at (-81.769, 20.550, -55.066), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2208, " NH1" at (-80.620, 20.974, -54.558), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2209, "1HH1" at (-80.188, 20.466, -53.786), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2210, "2HH1" at (-80.169, 21.806, -54.937), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2211, " NH2" at (-82.330, 21.210, -56.070), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2212, "1HH2" at (-83.214, 20.884, -56.461), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2213, "2HH2" at (-81.879, 22.042, -56.449), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2214, " N " at (-84.749, 15.528, -50.852), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2215, " HN " at (-85.256, 16.320, -50.457), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2216, " CA " at (-84.254, 14.492, -49.958), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2217, " C " at (-85.328, 13.480, -49.581), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2218, " O " at (-85.128, 12.700, -48.644), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2219, " CB " at (-83.644, 15.129, -48.708), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2220, " CG " at (-82.358, 15.874, -48.996), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2221, " CD1" at (-81.124, 15.256, -48.838), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2222, " CD2" at (-82.379, 17.189, -49.444), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2223, " CE1" at (-79.947, 15.930, -49.107), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2224, " CE2" at (-81.207, 17.870, -49.717), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2225, " CZ " at (-79.995, 17.236, -49.546), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2226, " OH " at (-78.828, 17.911, -49.816), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2227, " HH " at (-78.861, 18.811, -50.119), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2228, " N " at (-86.458, 13.476, -50.294), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2229, " HN " at (-86.614, 14.232, -50.960), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2230, " CA " at (-87.484, 12.439, -50.166), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2231, " C " at (-87.973, 12.312, -48.724), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2232, " O " at (-88.065, 11.217, -48.166), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2233, " CB " at (-86.964, 11.097, -50.689), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2234, " CG " at (-86.276, 11.183, -52.043), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2235, " CD " at (-87.241, 11.625, -53.130), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2236, " CE " at (-86.524, 11.837, -54.454), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2237, " NZ " at (-85.571, 12.981, -54.396), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2238, " HZ1" at (-85.090, 13.123, -55.284), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2239, " HZ2" at (-84.907, 12.871, -53.629), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2240, " HZ3" at (-86.036, 13.834, -54.086), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2241, " N " at (-88.294, 13.454, -48.119), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2242, " HN " at (-88.272, 14.319, -48.659), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2243, " CA " at (-88.675, 13.514, -46.715), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2244, " C " at (-90.184, 13.596, -46.514), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2245, " O " at (-90.636, 14.039, -45.453), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2246, " CB " at (-87.986, 14.699, -46.036), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2247, " CG " at (-86.477, 14.562, -45.839), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2248, " CD1" at (-85.858, 15.899, -45.467), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2249, " CD2" at (-86.181, 13.522, -44.772), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2250, " N " at (-90.969, 13.181, -47.505), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2251, " HN " at (-90.552, 12.853, -48.376), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2252, " CA " at (-92.419, 13.190, -47.359), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2253, " C " at (-92.847, 12.192, -46.289), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2254, " O " at (-92.370, 11.053, -46.260), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2255, " CB " at (-93.097, 12.860, -48.689), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2256, " CG " at (-92.851, 13.868, -49.803), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2257, " CD " at (-91.711, 13.465, -50.718), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2258, " OE1" at (-90.553, 13.438, -50.254), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2259, " OE2" at (-91.975, 13.163, -51.901), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2260, " N " at (-93.746, 12.622, -45.409), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2261, " HN " at (-94.080, 13.584, -45.472), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2262, " CA " at (-94.265, 11.765, -44.365), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2263, " C " at (-93.495, 11.779, -43.065), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2264, " O " at (-93.799, 10.972, -42.178), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2265, " N " at (-92.511, 12.664, -42.919), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2266, " HN " at (-92.307, 13.303, -43.687), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2267, " CA " at (-91.715, 12.753, -41.703), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2268, " C " at (-91.955, 14.040, -40.925), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2269, " O " at (-91.277, 14.270, -39.917), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2270, " CB " at (-90.226, 12.610, -42.037), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2271, " CG " at (-89.861, 11.248, -42.585), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2272, " CD1" at (-89.592, 10.184, -41.733), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2273, " CD2" at (-89.791, 11.023, -43.954), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2274, " CE1" at (-89.261, 8.935, -42.228), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2275, " CE2" at (-89.461, 9.777, -44.460), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2276, " CZ " at (-89.197, 8.737, -43.592), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2277, " OH " at (-88.867, 7.495, -44.088), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2278, " HH " at (-88.685, 6.779, -43.491), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2279, " N " at (-92.888, 14.884, -41.372), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2280, " HN " at (-93.313, 14.698, -42.281), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2281, " CA " at (-93.334, 16.064, -40.625), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2282, " C " at (-92.196, 17.052, -40.377), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2283, " O " at (-92.094, 17.650, -39.304), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2284, " CB " at (-94.000, 15.663, -39.306), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2285, " N " at (-91.336, 17.240, -41.381), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2286, " HN " at (-91.431, 16.702, -42.243), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2287, " CA " at (-90.261, 18.216, -41.243), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2288, " C " at (-90.793, 19.641, -41.252), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2289, " O " at (-90.182, 20.532, -40.651), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2290, " CB " at (-89.227, 18.025, -42.350), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2291, " CG " at (-88.040, 17.216, -41.927), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2292, " CD1" at (-88.205, 16.067, -41.172), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2293, " CD2" at (-86.759, 17.601, -42.282), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2294, " CE1" at (-87.114, 15.318, -40.777), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2295, " CE2" at (-85.663, 16.856, -41.892), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2296, " CZ " at (-85.841, 15.712, -41.138), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2297, " N " at (-91.921, 19.875, -41.927), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2298, " HN " at (-92.333, 19.135, -42.495), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2299, " CA " at (-92.570, 21.179, -41.859), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2300, " C " at (-92.880, 21.560, -40.418), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2301, " O " at (-92.762, 22.729, -40.034), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2302, " CB " at (-93.854, 21.174, -42.690), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2303, " CG " at (-93.707, 20.612, -44.095), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2304, " CD " at (-93.875, 19.106, -44.150), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2305, " OE1" at (-93.962, 18.473, -43.076), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2306, " OE2" at (-93.924, 18.555, -45.269), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2307, " N " at (-93.277, 20.583, -39.605), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2308, " HN " at (-93.358, 19.631, -39.963), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2309, " CA " at (-93.597, 20.858, -38.211), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2310, " C " at (-92.347, 20.786, -37.339), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2311, " O " at (-92.035, 21.731, -36.606), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2312, " CB " at (-94.670, 19.875, -37.731), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2313, " CG " at (-94.969, 19.963, -36.268), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2314, " ND1" at (-95.998, 20.728, -35.761), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2315, " HD1" at (-96.636, 21.299, -36.315), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2316, " CD2" at (-94.385, 19.365, -35.203), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2317, " CE1" at (-96.028, 20.606, -34.446), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2318, " NE2" at (-95.059, 19.785, -34.082), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2319, " HE2" at (-94.846, 19.508, -33.124), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2320, " N " at (-91.603, 19.684, -37.439), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2321, " HN " at (-91.807, 19.009, -38.176), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2322, " CA " at (-90.501, 19.424, -36.514), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2323, " C " at (-89.360, 20.412, -36.730), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2324, " O " at (-88.812, 20.972, -35.772), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2325, " CB " at (-90.017, 17.971, -36.666), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2326, " CG1" at (-91.153, 16.999, -36.352), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2327, " CG2" at (-88.817, 17.709, -35.774), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2328, " CD1" at (-90.857, 15.580, -36.758), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2329, " N " at (-88.971, 20.628, -37.981), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2330, " HN " at (-89.526, 20.238, -38.743), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2331, " CA " at (-87.777, 21.404, -38.304), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2332, " C " at (-88.119, 22.843, -38.661), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2333, " O " at (-87.523, 23.779, -38.129), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2334, " CB " at (-86.987, 20.716, -39.440), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2335, " CG1" at (-85.678, 21.443, -39.690), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2336, " CG2" at (-86.738, 19.257, -39.099), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2337, " N " at (-89.077, 23.039, -39.569), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2338, " HN " at (-89.582, 22.240, -39.953), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2339, " CA " at (-89.406, 24.387, -40.016), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2340, " C " at (-90.268, 25.136, -39.008), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2341, " O " at (-90.189, 26.367, -38.928), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2342, " CB " at (-90.107, 24.333, -41.374), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2343, " CG " at (-89.228, 23.826, -42.496), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2344, " CD1" at (-88.452, 24.701, -43.244), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2345, " CD2" at (-89.174, 22.474, -42.806), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2346, " CE1" at (-87.647, 24.243, -44.271), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2347, " CE2" at (-88.372, 22.006, -43.830), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2348, " CZ " at (-87.612, 22.896, -44.559), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2349, " OH " at (-86.812, 22.437, -45.580), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2350, " HH " at (-86.288, 23.050, -46.082), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2351, " N " at (-91.088, 24.426, -38.239), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2352, " HN " at (-91.130, 23.413, -38.354), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2353, " CA " at (-91.924, 25.063, -37.241), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2354, " C " at (-93.246, 25.568, -37.782), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2355, " O " at (-93.319, 26.053, -38.916), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2356, " N " at (-94.298, 25.463, -36.976), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2357, " HN " at (-94.161, 25.053, -36.052), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2358, " CA " at (-95.638, 25.904, -37.346), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2359, " C " at (-95.946, 27.197, -36.603), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2360, " O " at (-95.961, 27.218, -35.367), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2361, " CB " at (-96.674, 24.827, -37.021), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2362, " CG " at (-98.054, 25.156, -37.562), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2363, " OD1" at (-98.205, 26.190, -38.246), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2364, " OD2" at (-98.992, 24.373, -37.302), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2365, " N " at (-96.198, 28.268, -37.355), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2366, " HN " at (-96.222, 28.159, -38.369), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2367, " CA " at (-96.440, 29.588, -36.788), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2368, " C " at (-97.855, 30.090, -37.046), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2369, " O " at (-98.152, 31.252, -36.750), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2370, " CB " at (-95.429, 30.594, -37.343), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2371, " CG " at (-93.997, 30.189, -37.143), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2372, " CD1" at (-93.347, 29.400, -38.078), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2373, " CD2" at (-93.300, 30.603, -36.022), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2374, " CE1" at (-92.029, 29.027, -37.896), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2375, " CE2" at (-91.981, 30.233, -35.834), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2376, " CZ " at (-91.345, 29.445, -36.773), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2377, " N " at (-98.734, 29.247, -37.588), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2378, " HN " at (-98.465, 28.276, -37.750), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2379, " CA " at (-100.073, 29.692, -37.952), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2380, " C " at (-101.003, 29.827, -36.753), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2381, " O " at (-102.026, 30.512, -36.857), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2382, " CB " at (-100.688, 28.728, -38.968), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2383, " OG " at (-100.791, 27.422, -38.429), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2384, " HG " at (-101.173, 26.823, -39.060), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2385, " N " at (-100.678, 29.200, -35.628), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2386, " HN " at (-99.790, 28.699, -35.585), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2387, " CA " at (-101.537, 29.199, -34.455), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2388, " C " at (-100.850, 29.924, -33.304), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2389, " O " at (-99.663, 30.253, -33.365), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2390, " CB " at (-101.902, 27.766, -34.048), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2391, " CG " at (-102.437, 26.941, -35.176), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2392, " ND1" at (-103.690, 27.139, -35.714), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2393, " HD1" at (-104.359, 27.845, -35.406), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2394, " CD2" at (-101.886, 25.918, -35.872), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2395, " CE1" at (-103.890, 26.272, -36.691), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2396, " NE2" at (-102.811, 25.520, -36.807), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2397, " HE2" at (-102.684, 24.766, -37.482), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2398, " N " at (-101.623, 30.175, -32.243), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2399, " HN " at (-102.594, 29.862, -32.238), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2400, " CA " at (-101.086, 30.894, -31.092), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2401, " C " at (-99.964, 30.109, -30.427), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2402, " O " at (-98.965, 30.689, -29.989), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2403, " CB " at (-102.199, 31.189, -30.087), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2404, " OG " at (-102.620, 30.005, -29.434), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2405, " HG " at (-103.312, 30.188, -28.809), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2406, " N " at (-100.112, 28.791, -30.341), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2407, " HN " at (-100.984, 28.370, -30.661), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2408, " CA " at (-99.069, 27.928, -29.805), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2409, " C " at (-98.119, 27.538, -30.928), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2410, " O " at (-98.545, 26.970, -31.941), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2411, " CB " at (-99.671, 26.686, -29.151), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2412, " CG " at (-100.080, 26.899, -27.708), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2413, " CD " at (-98.905, 27.291, -26.835), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2414, " OE1" at (-97.856, 26.647, -26.863), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2415, " NE2" at (-99.070, 28.359, -26.063), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2416, "1HE2" at (-98.279, 28.623, -25.475), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2417, "2HE2" at (-99.939, 28.893, -26.040), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2418, " N " at (-96.839, 27.852, -30.753), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2419, " HN " at (-96.555, 28.360, -29.915), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2420, " CA " at (-95.839, 27.481, -31.741), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2421, " C " at (-95.716, 25.965, -31.810), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2422, " O " at (-95.657, 25.282, -30.784), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2423, " CB " at (-94.493, 28.117, -31.395), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2424, " CG " at (-93.449, 28.216, -32.511), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2425, " CD1" at (-92.561, 29.424, -32.279), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2426, " CD2" at (-92.606, 26.953, -32.607), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2427, " N " at (-95.684, 25.439, -33.031), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2428, " HN " at (-95.685, 26.067, -33.835), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2429, " CA " at (-95.648, 24.008, -33.264), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2430, " C " at (-94.266, 23.563, -33.731), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2431, " O " at (-93.710, 24.128, -34.673), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2432, " N " at (-93.738, 22.549, -33.051), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2433, " HN " at (-94.214, 22.192, -32.223), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2434, " CA " at (-92.487, 21.947, -33.481), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2435, " C " at (-91.305, 22.880, -33.296), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2436, " O " at (-91.151, 23.533, -32.258), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2437, " N " at (-90.455, 22.935, -34.324), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2438, " HN " at (-90.666, 22.376, -35.151), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2439, " CA " at (-89.239, 23.749, -34.336), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2440, " C " at (-88.296, 23.322, -33.205), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2441, " O " at (-88.110, 24.013, -32.202), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2442, " CB " at (-89.583, 25.241, -34.250), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2443, " CG " at (-88.484, 26.236, -34.623), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2444, " CD1" at (-88.244, 26.243, -36.126), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2445, " CD2" at (-88.838, 27.626, -34.124), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2446, " N " at (-87.694, 22.148, -33.406), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2447, " HN " at (-87.820, 21.675, -34.301), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2448, " CA " at (-86.863, 21.520, -32.388), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2449, " C " at (-85.401, 21.371, -32.790), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2450, " O " at (-84.591, 20.943, -31.960), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2451, " CB " at (-87.435, 20.143, -32.017), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2452, " CG " at (-88.843, 20.194, -31.508), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2453, " ND1" at (-89.164, 20.660, -30.251), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2454, " HD1" at (-88.495, 21.003, -29.561), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2455, " CD2" at (-90.016, 19.842, -32.088), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2456, " CE1" at (-90.472, 20.593, -30.078), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2457, " NE2" at (-91.012, 20.098, -31.178), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2458, " HE2" at (-92.007, 19.933, -31.327), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2459, " N " at (-85.036, 21.702, -34.025), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2460, " HN " at (-85.755, 21.996, -34.686), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2461, " CA " at (-83.650, 21.661, -34.472), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2462, " C " at (-83.113, 23.076, -34.614), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2463, " O " at (-83.780, 23.948, -35.180), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2464, " CB " at (-83.511, 20.922, -35.806), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2465, " CG " at (-83.328, 19.405, -35.752), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2466, " CD1" at (-82.979, 18.875, -37.132), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2467, " CD2" at (-82.257, 19.020, -34.743), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2468, " N " at (-81.895, 23.293, -34.108), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2469, " HN " at (-81.371, 22.517, -33.703), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2470, " CA " at (-81.306, 24.629, -34.128), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2471, " C " at (-81.185, 25.178, -35.544), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2472, " O " at (-81.316, 26.390, -35.751), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2473, " CB " at (-79.934, 24.608, -33.455), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2474, " CG " at (-79.221, 25.960, -33.380), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2475, " CD1" at (-79.985, 26.915, -32.479), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2476, " CD2" at (-77.788, 25.802, -32.906), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2477, " N " at (-80.936, 24.311, -36.528), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2478, " HN " at (-80.824, 23.319, -36.320), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2479, " CA " at (-80.824, 24.787, -37.902), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2480, " C " at (-82.158, 25.340, -38.389), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2481, " O " at (-82.193, 26.264, -39.211), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2482, " CB " at (-80.297, 23.665, -38.817), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2483, " CG1" at (-80.036, 24.200, -40.226), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2484, " CG2" at (-81.263, 22.491, -38.847), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2485, " CD1" at (-79.400, 23.193, -41.152), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2486, " N " at (-83.272, 24.805, -37.886), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2487, " HN " at (-83.215, 23.999, -37.263), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2488, " CA " at (-84.566, 25.371, -38.226), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2489, " C " at (-84.759, 26.752, -37.634), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2490, " O " at (-85.360, 27.628, -38.260), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2491, " N " at (-84.250, 26.966, -36.418), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2492, " HN " at (-83.834, 26.193, -35.899), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2493, " CA " at (-84.285, 28.299, -35.828), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2494, " C " at (-83.357, 29.251, -36.572), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2495, " O " at (-83.671, 30.437, -36.728), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2496, " CB " at (-83.904, 28.236, -34.347), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2497, " CG " at (-84.897, 27.707, -33.308), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2498, " CD1" at (-85.044, 26.198, -33.382), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2499, " CD2" at (-84.465, 28.128, -31.912), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2500, " N " at (-82.210, 28.750, -37.036), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2501, " HN " at (-81.991, 27.765, -36.884), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2502, " CA " at (-81.267, 29.597, -37.758), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2503, " C " at (-81.861, 30.088, -39.071), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2504, " O " at (-81.728, 31.268, -39.415), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2505, " CB " at (-79.964, 28.838, -38.006), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2506, " N " at (-82.519, 29.197, -39.816), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2507, " HN " at (-82.582, 28.227, -39.508), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2508, " CA " at (-83.149, 29.601, -41.068), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2509, " C " at (-84.236, 30.640, -40.823), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2510, " O " at (-84.343, 31.626, -41.562), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2511, " CB " at (-83.719, 28.375, -41.780), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2512, " CG " at (-84.266, 28.652, -43.170), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2513, " CD " at (-84.857, 27.391, -43.780), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2514, " CE " at (-85.311, 27.625, -45.212), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2515, " NZ " at (-84.171, 27.989, -46.098), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2516, " HZ1" at (-84.476, 28.146, -47.059), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2517, " HZ2" at (-83.427, 27.292, -46.053), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2518, " HZ3" at (-83.659, 28.792, -45.734), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2519, " N " at (-85.046, 30.440, -39.781), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2520, " HN " at (-84.931, 29.605, -39.207), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2521, " CA " at (-86.093, 31.401, -39.453), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2522, " C " at (-85.504, 32.724, -38.982), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2523, " O " at (-86.045, 33.794, -39.285), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2524, " CB " at (-87.016, 30.814, -38.384), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2525, " CG " at (-88.050, 31.783, -37.828), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2526, " CD " at (-89.215, 31.971, -38.784), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2527, " NE " at (-90.282, 32.772, -38.189), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2528, " HE " at (-90.117, 33.179, -37.268), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2529, " CZ " at (-91.454, 33.004, -38.771), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2530, " NH1" at (-91.713, 32.494, -39.967), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2531, "1HH1" at (-91.010, 31.925, -40.438), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2532, "2HH1" at (-92.613, 32.672, -40.414), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2533, " NH2" at (-92.368, 33.744, -38.159), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2534, "1HH2" at (-92.169, 34.136, -37.239), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2535, "2HH2" at (-93.268, 33.922, -38.606), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2536, " N " at (-84.390, 32.673, -38.249), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2537, " HN " at (-83.927, 31.777, -38.094), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2538, " CA " at (-83.829, 33.887, -37.668), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2539, " C " at (-83.303, 34.838, -38.734), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2540, " O " at (-83.332, 36.059, -38.540), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2541, " CB " at (-82.720, 33.530, -36.681), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2542, " CG " at (-82.280, 34.679, -35.827), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2543, " CD1" at (-83.055, 35.097, -34.757), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2544, " CD2" at (-81.094, 35.341, -36.089), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2545, " CE1" at (-82.656, 36.155, -33.966), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2546, " CE2" at (-80.689, 36.399, -35.301), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2547, " CZ " at (-81.471, 36.807, -34.238), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2548, " N " at (-82.818, 34.307, -39.858), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2549, " HN " at (-82.774, 33.293, -39.964), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2550, " CA " at (-82.351, 35.171, -40.935), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2551, " C " at (-83.504, 35.930, -41.579), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2552, " O " at (-83.318, 37.057, -42.051), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2553, " CB " at (-81.602, 34.347, -41.982), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2554, " CG " at (-80.293, 34.968, -42.441), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2555, " CD " at (-79.642, 34.142, -43.541), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2556, " CE " at (-78.310, 34.742, -43.968), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2557, " NZ " at (-77.713, 34.013, -45.122), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2558, " HZ1" at (-76.820, 34.415, -45.408), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2559, " HZ2" at (-78.364, 33.963, -45.905), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2560, " HZ3" at (-77.623, 33.016, -44.924), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2561, " N " at (-84.697, 35.336, -41.598), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2562, " HN " at (-84.801, 34.405, -41.193), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2563, " CA " at (-85.857, 35.995, -42.188), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2564, " C " at (-86.508, 36.953, -41.197), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2565, " O " at (-86.630, 38.153, -41.461), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2566, " CB " at (-86.871, 34.948, -42.657), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2567, " CG " at (-86.251, 33.690, -43.234), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2568, " CD " at (-87.280, 32.608, -43.498), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2569, " OE1" at (-87.118, 31.857, -44.483), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2570, " OE2" at (-88.254, 32.510, -42.721), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2571, " N " at (-86.934, 36.432, -40.047), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2572, " HN " at (-86.750, 35.446, -39.861), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2573, " CA " at (-87.648, 37.206, -39.048), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2574, " C " at (-87.036, 36.979, -37.673), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2575, " O " at (-86.606, 35.864, -37.359), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2576, " CB " at (-89.135, 36.822, -39.024), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2577, " OG " at (-89.826, 37.527, -38.009), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2578, " N " at (-86.980, 38.011, -36.838), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2579, " CA " at (-86.436, 37.844, -35.488), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2580, " C " at (-87.460, 37.236, -34.540), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2581, " O " at (-88.661, 37.197, -34.813), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2582, " CB " at (-86.090, 39.278, -35.076), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2583, " CG " at (-87.101, 40.107, -35.802), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2584, " CD " at (-87.346, 39.410, -37.119), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2585, " N " at (-86.956, 36.757, -33.407), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2586, " HN " at (-85.947, 36.787, -33.262), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2587, " CA " at (-87.805, 36.191, -32.367), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2588, " C " at (-87.045, 36.227, -31.050), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2589, " O " at (-85.833, 36.451, -31.014), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2590, " CB " at (-88.247, 34.764, -32.709), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2591, " CG " at (-87.133, 33.885, -33.194), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2592, " CD1" at (-86.297, 33.238, -32.298), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2593, " CD2" at (-86.922, 33.704, -34.550), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2594, " CE1" at (-85.270, 32.429, -32.747), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2595, " CE2" at (-85.899, 32.898, -35.005), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2596, " CZ " at (-85.072, 32.259, -34.104), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2597, " N " at (-87.775, 36.000, -29.963), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2598, " HN " at (-88.762, 35.768, -30.073), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2599, " CA " at (-87.216, 36.070, -28.621), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2600, " C " at (-87.002, 34.664, -28.080), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2601, " O " at (-87.894, 33.815, -28.174), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2602, " CB " at (-88.135, 36.858, -27.688), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2603, " CG " at (-87.417, 37.476, -26.501), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2604, " CD " at (-86.505, 38.621, -26.904), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2605, " OE1" at (-86.899, 39.420, -27.781), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2606, " OE2" at (-85.390, 38.718, -26.349), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2607, " N " at (-85.820, 34.423, -27.517), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2608, " HN " at (-85.119, 35.164, -27.522), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2609, " CA " at (-85.480, 33.150, -26.894), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2610, " C " at (-85.147, 33.398, -25.431), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2611, " O " at (-84.161, 34.077, -25.122), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2612, " CB " at (-84.306, 32.476, -27.607), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2613, " CG " at (-84.613, 31.687, -28.883), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2614, " CD1" at (-83.361, 30.988, -29.377), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2615, " CD2" at (-85.728, 30.678, -28.655), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2616, " N " at (-85.967, 32.855, -24.538), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2617, " HN " at (-86.764, 32.314, -24.873), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2618, " CA " at (-85.776, 33.000, -23.100), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2619, " C " at (-85.089, 31.740, -22.588), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2620, " O " at (-85.710, 30.677, -22.499), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2621, " CB " at (-87.112, 33.230, -22.396), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2622, " CG " at (-87.131, 34.396, -21.423), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2623, " CD " at (-87.071, 33.950, -19.977), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2624, " OE1" at (-86.066, 34.259, -19.305), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2625, " OE2" at (-88.026, 33.287, -19.515), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2626, " N " at (-83.805, 31.861, -22.259), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2627, " HN " at (-83.362, 32.776, -22.344), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2628, " CA " at (-83.004, 30.735, -21.781), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2629, " C " at (-83.169, 30.623, -20.264), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2630, " O " at (-82.299, 30.993, -19.476), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2631, " CB " at (-81.548, 30.922, -22.191), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2632, " CG " at (-80.687, 29.723, -21.871), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2633, " OD1" at (-81.237, 28.684, -21.444), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2634, " OD2" at (-79.455, 29.820, -22.048), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2635, " N " at (-84.326, 30.091, -19.861), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2636, " HN " at (-84.959, 29.672, -20.542), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2637, " CA " at (-84.685, 30.109, -18.447), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2638, " C " at (-83.926, 29.078, -17.622), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2639, " O " at (-84.013, 29.114, -16.389), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2640, " CB " at (-86.198, 29.926, -18.276), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2641, " CG " at (-86.747, 28.661, -18.881), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2642, " CD1" at (-86.921, 27.528, -18.105), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2643, " CD2" at (-87.123, 28.615, -20.216), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2644, " CE1" at (-87.438, 26.367, -18.649), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2645, " CE2" at (-87.643, 27.455, -20.767), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2646, " CZ " at (-87.800, 26.330, -19.981), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2647, " N " at (-83.191, 28.170, -18.255), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2648, " HN " at (-83.303, 28.053, -19.262), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2649, " CA " at (-82.227, 27.336, -17.542), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2650, " C " at (-80.859, 27.599, -18.160), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2651, " O " at (-80.389, 26.802, -18.985), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2652, " CB " at (-82.599, 25.847, -17.604), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2653, " CG1" at (-84.060, 25.642, -17.201), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2654, " CG2" at (-81.699, 25.040, -16.683), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2655, " CD1" at (-84.500, 24.194, -17.223), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2656, " N " at (-80.195, 28.704, -17.805), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2657, " CA " at (-78.930, 29.051, -18.467), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2658, " C " at (-77.777, 28.149, -18.054), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2659, " O " at (-77.054, 28.438, -17.096), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2660, " CB " at (-78.695, 30.501, -18.029), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2661, " CG " at (-79.390, 30.607, -16.717), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2662, " CD " at (-80.595, 29.709, -16.805), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2663, " N " at (-77.599, 27.052, -18.783), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2664, " HN " at (-78.237, 26.862, -19.556), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2665, " CA " at (-76.521, 26.114, -18.510), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2666, " C " at (-76.196, 25.370, -19.793), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2667, " O " at (-76.972, 25.382, -20.752), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2668, " CB " at (-76.897, 25.127, -17.401), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2669, " CG " at (-78.103, 24.268, -17.739), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2670, " SD " at (-78.423, 22.993, -16.511), was assigned atom type "SA" (rec_index= 7, atom_type= 7).
Atom no. 2671, " CE " at (-76.991, 21.938, -16.723), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2672, " N " at (-75.037, 24.721, -19.796), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2673, " HN " at (-74.414, 24.810, -18.993), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2674, " CA " at (-74.636, 23.886, -20.919), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2675, " C " at (-75.316, 22.528, -20.792), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2676, " O " at (-75.095, 21.806, -19.813), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2677, " CB " at (-73.117, 23.732, -20.957), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2678, " CG " at (-72.604, 23.358, -22.334), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2679, " OD1" at (-73.314, 23.626, -23.325), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2680, " OD2" at (-71.493, 22.793, -22.425), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2681, " N " at (-76.153, 22.188, -21.768), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2682, " HN " at (-76.323, 22.843, -22.531), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2683, " CA " at (-76.830, 20.902, -21.769), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2684, " C " at (-77.056, 20.462, -23.207), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2685, " O " at (-77.120, 21.289, -24.121), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2686, " CB " at (-78.161, 20.958, -21.008), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2687, " OG " at (-79.047, 21.893, -21.595), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2688, " HG " at (-79.871, 21.928, -21.124), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2689, " N " at (-77.168, 19.145, -23.395), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2690, " HN " at (-77.119, 18.514, -22.595), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2691, " CA " at (-77.360, 18.599, -24.735), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2692, " C " at (-78.673, 19.076, -25.342), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2693, " O " at (-78.721, 19.448, -26.521), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2694, " CB " at (-77.308, 17.072, -24.687), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2695, " OG1" at (-76.010, 16.651, -24.247), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2696, " HG1" at (-75.835, 17.020, -23.389), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2697, " CG2" at (-77.588, 16.481, -26.060), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2698, " N " at (-79.744, 19.081, -24.555), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2699, " HN " at (-79.657, 18.696, -23.614), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2700, " CA " at (-81.037, 19.610, -24.972), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2701, " C " at (-81.277, 20.917, -24.230), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2702, " O " at (-81.195, 20.963, -22.997), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2703, " CB " at (-82.175, 18.610, -24.704), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2704, " CG1" at (-83.525, 19.264, -24.962), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2705, " CG2" at (-82.009, 17.376, -25.572), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2706, " N " at (-81.564, 21.976, -24.980), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2707, " HN " at (-81.568, 21.872, -25.995), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2708, " CA " at (-81.873, 23.277, -24.408), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2709, " C " at (-83.372, 23.531, -24.476), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2710, " O " at (-84.031, 23.173, -25.457), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2711, " CB " at (-81.119, 24.391, -25.138), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2712, " CG " at (-79.616, 24.377, -24.912), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2713, " CD " at (-79.275, 24.618, -23.449), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2714, " CE " at (-79.772, 25.975, -22.978), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2715, " NZ " at (-79.481, 26.200, -21.535), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2716, " HZ1" at (-79.815, 27.111, -21.219), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2717, " HZ2" at (-78.489, 26.077, -21.333), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2718, " HZ3" at (-79.856, 25.447, -20.959), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2719, " N " at (-83.907, 24.144, -23.425), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2720, " HN " at (-83.299, 24.388, -22.643), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2721, " CA " at (-85.322, 24.484, -23.338), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2722, " C " at (-85.458, 25.999, -23.319), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2723, " O " at (-84.857, 26.670, -22.472), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2724, " CB " at (-85.961, 23.866, -22.095), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2725, " CG " at (-86.017, 22.352, -22.161), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2726, " OD1" at (-86.115, 21.770, -23.242), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2727, " ND2" at (-85.957, 21.706, -21.002), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2728, "1HD2" at (-85.995, 20.688, -21.046), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2729, "2HD2" at (-85.876, 22.188, -20.107), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2730, " N " at (-86.246, 26.533, -24.249), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2731, " HN " at (-86.753, 25.911, -24.878), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2732, " CA " at (-86.411, 27.970, -24.402), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2733, " C " at (-87.885, 28.345, -24.369), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2734, " O " at (-88.738, 27.602, -24.865), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2735, " CB " at (-85.802, 28.471, -25.718), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2736, " CG " at (-84.312, 28.255, -25.854), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2737, " CD1" at (-83.415, 28.948, -25.053), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2738, " CD2" at (-83.803, 27.379, -26.802), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2739, " CE1" at (-82.051, 28.760, -25.180), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2740, " CE2" at (-82.441, 27.186, -26.939), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2741, " CZ " at (-81.570, 27.879, -26.126), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2742, " OH " at (-80.213, 27.690, -26.257), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2743, " HH " at (-79.613, 28.168, -25.697), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2744, " N " at (-88.172, 29.501, -23.777), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2745, " HN " at (-87.464, 29.937, -23.186), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2746, " CA " at (-89.458, 30.170, -23.938), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2747, " C " at (-89.325, 31.076, -25.157), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2748, " O " at (-88.605, 32.079, -25.118), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2749, " CB " at (-89.821, 30.953, -22.677), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2750, " CG " at (-91.273, 31.362, -22.590), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2751, " CD1" at (-92.022, 31.619, -23.728), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2752, " CD2" at (-91.885, 31.496, -21.354), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2753, " CE1" at (-93.350, 31.999, -23.637), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2754, " CE2" at (-93.214, 31.875, -21.256), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2755, " CZ " at (-93.946, 32.126, -22.399), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2756, " N " at (-90.006, 30.717, -26.239), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2757, " HN " at (-90.677, 29.953, -26.162), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2758, " CA " at (-89.835, 31.368, -27.531), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2759, " C " at (-91.081, 32.179, -27.856), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2760, " O " at (-92.209, 31.726, -27.628), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2761, " CB " at (-89.538, 30.335, -28.637), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2762, " CG1" at (-89.530, 31.002, -30.014), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2763, " CG2" at (-90.538, 29.188, -28.584), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2764, " CD1" at (-89.141, 30.070, -31.137), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2765, " N " at (-90.872, 33.388, -28.376), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2766, " HN " at (-89.913, 33.728, -28.444), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2767, " CA " at (-91.948, 34.249, -28.853), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2768, " C " at (-91.566, 34.770, -30.229), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2769, " O " at (-90.554, 35.464, -30.371), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2770, " CB " at (-92.203, 35.415, -27.892), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2771, " OG1" at (-92.578, 34.908, -26.606), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2772, " HG1" at (-92.736, 35.631, -26.010), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2773, " CG2" at (-93.318, 36.304, -28.423), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2774, " N " at (-92.367, 34.433, -31.237), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2775, " HN " at (-93.179, 33.844, -31.054), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2776, " CA " at (-92.108, 34.888, -32.595), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2777, " C " at (-92.631, 36.308, -32.773), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2778, " O " at (-93.808, 36.582, -32.518), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2779, " CB " at (-92.759, 33.947, -33.608), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2780, " CG " at (-92.470, 34.346, -35.041), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2781, " OD1" at (-91.310, 34.192, -35.480), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2782, " OD2" at (-93.401, 34.814, -35.730), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2783, " N " at (-91.754, 37.211, -33.217), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2784, " HN " at (-90.817, 36.913, -33.489), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2785, " CA " at (-92.121, 38.619, -33.317), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2786, " C " at (-93.011, 38.907, -34.519), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2787, " O " at (-93.832, 39.830, -34.467), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2788, " CB " at (-90.863, 39.487, -33.380), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2789, " N " at (-92.873, 38.140, -35.601), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2790, " HN " at (-92.229, 37.349, -35.587), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2791, " CA " at (-93.643, 38.431, -36.805), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2792, " C " at (-95.103, 38.020, -36.658), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2793, " O " at (-96.004, 38.773, -37.044), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2794, " CB " at (-93.016, 37.733, -38.013), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2795, " CG " at (-93.682, 38.070, -39.338), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2796, " CD " at (-93.573, 39.543, -39.686), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2797, " OE1" at (-92.494, 40.038, -40.013), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2798, " NE2" at (-94.694, 40.253, -39.614), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2799, "1HE2" at (-95.588, 39.843, -39.343), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2800, "2HE2" at (-94.621, 41.243, -39.848), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2801, " N " at (-95.358, 36.836, -36.103), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2802, " HN " at (-94.588, 36.303, -35.699), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2803, " CA " at (-96.703, 36.279, -36.055), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2804, " C " at (-97.346, 36.327, -34.679), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2805, " O " at (-98.572, 36.410, -34.591), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2806, " CB " at (-96.690, 34.823, -36.534), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2807, " OG1" at (-95.967, 34.016, -35.597), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2808, " HG1" at (-95.959, 33.114, -35.894), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2809, " CG2" at (-96.026, 34.720, -37.897), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2810, " N " at (-96.558, 36.278, -33.610), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2811, " HN " at (-95.546, 36.302, -33.736), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2812, " CA " at (-97.100, 36.191, -32.273), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2813, " C " at (-97.236, 34.785, -31.735), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2814, " O " at (-97.723, 34.613, -30.610), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2815, " N " at (-96.834, 33.776, -32.501), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2816, " HN " at (-96.498, 33.967, -33.445), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2817, " CA " at (-96.865, 32.404, -32.017), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2818, " C " at (-95.769, 32.195, -30.980), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2819, " O " at (-94.644, 32.678, -31.138), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2820, " CB " at (-96.693, 31.432, -33.182), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2821, " OG " at (-97.179, 30.146, -32.849), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2822, " HG " at (-97.072, 29.541, -33.574), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2823, " N " at (-96.099, 31.477, -29.908), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2824, " HN " at (-97.017, 31.035, -29.864), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2825, " CA " at (-95.171, 31.313, -28.799), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2826, " C " at (-95.367, 29.943, -28.164), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2827, " O " at (-96.371, 29.264, -28.391), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2828, " CB " at (-95.349, 32.426, -27.760), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2829, " OG " at (-96.665, 32.429, -27.236), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2830, " HG " at (-96.775, 33.119, -26.592), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2831, " N " at (-94.383, 29.545, -27.358), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2832, " HN " at (-93.569, 30.148, -27.241), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2833, " CA " at (-94.430, 28.277, -26.637), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2834, " C " at (-93.525, 28.378, -25.418), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2835, " O " at (-92.376, 28.815, -25.534), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2836, " CB " at (-94.002, 27.111, -27.536), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2837, " CG " at (-94.024, 25.754, -26.847), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2838, " CD " at (-94.098, 24.614, -27.853), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2839, " CE " at (-92.930, 24.644, -28.824), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2840, " NZ " at (-92.976, 23.505, -29.783), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2841, " HZ1" at (-92.192, 23.525, -30.435), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2842, " HZ2" at (-93.868, 23.472, -30.277), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2843, " HZ3" at (-93.030, 22.611, -29.295), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2844, " N " at (-94.043, 27.969, -24.258), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2845, " HN " at (-94.967, 27.537, -24.244), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2846, " CA " at (-93.304, 28.132, -23.009), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2847, " C " at (-92.053, 27.265, -22.983), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2848, " O " at (-90.977, 27.722, -22.581), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2849, " CB " at (-94.201, 27.798, -21.818), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2850, " SG " at (-95.577, 28.931, -21.576), was assigned atom type "SA" (rec_index= 7, atom_type= 7).
Atom no. 2851, " N " at (-92.176, 26.006, -23.386), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2852, " HN " at (-93.080, 25.690, -23.737), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2853, " CA " at (-91.070, 25.056, -23.347), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2854, " C " at (-90.885, 24.524, -24.760), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2855, " O " at (-91.633, 23.646, -25.208), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2856, " CB " at (-91.315, 23.916, -22.355), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2857, " CG1" at (-90.071, 23.054, -22.234), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2858, " CG2" at (-91.722, 24.466, -21.004), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2859, " N " at (-89.890, 25.045, -25.466), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2860, " HN " at (-89.350, 25.809, -25.060), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2861, " CA " at (-89.537, 24.571, -26.799), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2862, " C " at (-88.186, 23.872, -26.692), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2863, " O " at (-87.145, 24.526, -26.586), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2864, " CB " at (-89.502, 25.722, -27.800), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2865, " SG " at (-89.438, 25.188, -29.523), was assigned atom type "SA" (rec_index= 7, atom_type= 7).
Atom no. 2866, " N " at (-88.210, 22.542, -26.705), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2867, " HN " at (-89.106, 22.059, -26.773), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2868, " CA " at (-86.982, 21.762, -26.624), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2869, " C " at (-86.234, 21.843, -27.949), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2870, " O " at (-86.781, 21.502, -29.003), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2871, " CB " at (-87.297, 20.312, -26.270), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2872, " OG " at (-87.922, 20.222, -25.001), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2873, " HG " at (-88.118, 19.319, -24.781), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2874, " N " at (-84.985, 22.296, -27.894), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2875, " HN " at (-84.585, 22.514, -26.981), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2876, " CA " at (-84.163, 22.495, -29.080), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2877, " C " at (-82.865, 21.721, -28.907), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2878, " O " at (-82.284, 21.699, -27.816), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2879, " CB " at (-83.878, 23.992, -29.329), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2880, " CG1" at (-83.053, 24.182, -30.593), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2881, " CG2" at (-85.181, 24.772, -29.416), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2882, " N " at (-82.417, 21.078, -29.982), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2883, " HN " at (-82.981, 21.094, -30.831), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2884, " CA " at (-81.154, 20.352, -29.997), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2885, " C " at (-80.429, 20.694, -31.292), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2886, " O " at (-81.059, 20.891, -32.336), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2887, " CB " at (-81.374, 18.830, -29.849), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2888, " CG1" at (-80.043, 18.107, -29.644), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2889, " CG2" at (-82.120, 18.264, -31.050), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2890, " CD1" at (-80.198, 16.641, -29.333), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2891, " N " at (-79.101, 20.792, -31.218), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2892, " HN " at (-78.640, 20.616, -30.325), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2893, " CA " at (-78.287, 21.144, -32.380), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2894, " C " at (-77.600, 19.884, -32.896), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2895, " O " at (-76.429, 19.619, -32.629), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2896, " CB " at (-77.278, 22.231, -32.030), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2897, " CG " at (-76.448, 22.661, -33.226), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2898, " OD1" at (-76.836, 22.347, -34.373), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2899, " OD2" at (-75.405, 23.311, -33.019), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2900, " N " at (-78.354, 19.100, -33.655), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2901, " HN " at (-79.344, 19.322, -33.759), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2902, " CA " at (-77.821, 17.937, -34.344), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2903, " C " at (-77.499, 18.297, -35.786), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2904, " O " at (-78.126, 19.178, -36.380), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2905, " CB " at (-78.816, 16.774, -34.317), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2906, " CG " at (-79.042, 16.046, -32.993), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2907, " CD1" at (-80.213, 15.085, -33.117), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2908, " CD2" at (-77.783, 15.304, -32.571), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2909, " N " at (-76.502, 17.614, -36.343), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2910, " HN " at (-75.885, 17.047, -35.761), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2911, " CA " at (-76.291, 17.676, -37.780), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2912, " C " at (-77.545, 17.174, -38.479), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2913, " O " at (-78.118, 16.154, -38.087), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2914, " CB " at (-75.079, 16.837, -38.180), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2915, " CG " at (-74.692, 16.881, -39.659), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2916, " CD1" at (-74.165, 18.256, -40.031), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2917, " CD2" at (-73.670, 15.806, -39.985), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2918, " N " at (-77.986, 17.909, -39.502), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2919, " HN " at (-77.438, 18.704, -39.831), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2920, " CA " at (-79.251, 17.579, -40.152), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2921, " C " at (-79.241, 16.156, -40.694), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2922, " O " at (-80.251, 15.447, -40.616), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2923, " CB " at (-79.544, 18.580, -41.268), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2924, " CG " at (-80.937, 18.493, -41.890), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2925, " CD1" at (-82.003, 18.652, -40.820), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2926, " CD2" at (-81.099, 19.545, -42.972), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2927, " N " at (-78.103, 15.716, -41.234), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2928, " HN " at (-77.301, 16.342, -41.306), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2929, " CA " at (-77.998, 14.345, -41.723), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2930, " C " at (-78.183, 13.344, -40.591), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2931, " O " at (-78.807, 12.292, -40.777), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2932, " CB " at (-76.648, 14.138, -42.407), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2933, " CG " at (-76.308, 15.252, -43.375), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2934, " OD1" at (-76.232, 16.420, -42.936), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2935, " OD2" at (-76.113, 14.962, -44.574), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2936, " N " at (-77.648, 13.654, -39.408), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2937, " HN " at (-77.132, 14.527, -39.299), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2938, " CA " at (-77.797, 12.753, -38.271), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2939, " C " at (-79.248, 12.673, -37.817), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2940, " O " at (-79.747, 11.586, -37.503), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2941, " CB " at (-76.900, 13.205, -37.119), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2942, " CG " at (-75.435, 12.910, -37.372), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2943, " OD1" at (-75.134, 12.159, -38.324), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2944, " OD2" at (-74.585, 13.431, -36.619), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2945, " N " at (-79.942, 13.813, -37.775), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2946, " HN " at (-79.490, 14.694, -38.022), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2947, " CA " at (-81.345, 13.801, -37.376), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2948, " C " at (-82.195, 13.032, -38.379), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2949, " O " at (-83.154, 12.352, -37.995), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2950, " CB " at (-81.863, 15.229, -37.217), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2951, " CG " at (-83.320, 15.305, -36.862), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2952, " CD1" at (-83.745, 15.032, -35.573), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2953, " CD2" at (-84.264, 15.645, -37.817), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2954, " CE1" at (-85.085, 15.096, -35.242), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2955, " CE2" at (-85.605, 15.712, -37.493), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2956, " CZ " at (-86.016, 15.438, -36.204), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 2957, " N " at (-81.860, 13.127, -39.667), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2958, " HN " at (-81.095, 13.741, -39.947), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2959, " CA " at (-82.579, 12.359, -40.679), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2960, " C " at (-82.361, 10.868, -40.466), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2961, " O " at (-83.300, 10.068, -40.566), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2962, " CB " at (-82.150, 12.801, -42.090), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2963, " CG1" at (-82.695, 11.844, -43.137), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2964, " CG2" at (-82.629, 14.215, -42.365), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2965, " N " at (-81.123, 10.471, -40.159), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2966, " HN " at (-80.373, 11.159, -40.092), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2967, " CA " at (-80.836, 9.060, -39.918), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2968, " C " at (-81.627, 8.531, -38.729), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2969, " O " at (-82.091, 7.385, -38.743), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2970, " CB " at (-79.337, 8.859, -39.692), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2971, " CG " at (-78.924, 7.400, -39.556), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2972, " CD " at (-77.466, 7.234, -39.170), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2973, " OE1" at (-77.065, 7.760, -38.111), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2974, " OE2" at (-76.721, 6.579, -39.928), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2975, " N " at (-81.797, 9.355, -37.694), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2976, " HN " at (-81.420, 10.302, -37.736), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2977, " CA " at (-82.517, 8.917, -36.503), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2978, " C " at (-83.995, 8.721, -36.815), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2979, " O " at (-84.573, 7.666, -36.526), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2980, " CB " at (-82.316, 9.923, -35.356), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2981, " CG1" at (-80.843, 9.990, -34.950), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2982, " CG2" at (-83.192, 9.555, -34.166), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2983, " CD1" at (-80.541, 11.074, -33.933), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2984, " N " at (-84.628, 9.732, -37.414), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2985, " HN " at (-84.100, 10.549, -37.721), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2986, " CA " at (-86.069, 9.676, -37.632), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2987, " C " at (-86.423, 8.640, -38.692), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2988, " O " at (-87.529, 8.083, -38.679), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2989, " CB " at (-86.604, 11.077, -37.989), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2990, " CG1" at (-88.130, 11.116, -37.874), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2991, " CG2" at (-86.154, 11.493, -39.383), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2992, " CD1" at (-88.718, 12.500, -38.039), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2993, " N " at (-85.503, 8.348, -39.613), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 2994, " HN " at (-84.625, 8.866, -39.631), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 2995, " CA " at (-85.740, 7.296, -40.593), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2996, " C " at (-85.458, 5.904, -40.048), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2997, " O " at (-85.699, 4.919, -40.753), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 2998, " CB " at (-84.891, 7.530, -41.844), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 2999, " CG " at (-85.382, 8.656, -42.734), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3000, " CD " at (-84.569, 8.726, -44.015), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3001, " CE " at (-85.144, 9.746, -44.981), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3002, " NZ " at (-84.347, 9.835, -46.235), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 3003, " HZ1" at (-84.733, 10.520, -46.884), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3004, " HZ2" at (-84.248, 8.921, -46.677), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3005, " HZ3" at (-83.365, 10.025, -46.037), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3006, " N " at (-84.958, 5.797, -38.817), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 3007, " HN " at (-84.819, 6.647, -38.270), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3008, " CA " at (-84.603, 4.519, -38.222), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3009, " C " at (-85.622, 4.051, -37.190), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3010, " O " at (-85.318, 3.163, -36.386), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3011, " CB " at (-83.215, 4.607, -37.588), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3012, " OG " at (-82.251, 5.042, -38.531), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3013, " HG " at (-81.388, 5.097, -38.137), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3014, " N " at (-86.822, 4.621, -37.198), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 3015, " HN " at (-87.044, 5.289, -37.936), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3016, " CA " at (-87.830, 4.326, -36.192), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3017, " C " at (-89.026, 3.617, -36.814), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3018, " O " at (-89.268, 3.693, -38.022), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3019, " CB " at (-88.294, 5.607, -35.491), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3020, " CG " at (-87.161, 6.475, -34.970), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3021, " CD " at (-86.251, 5.738, -34.005), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3022, " OE1" at (-86.704, 4.908, -33.216), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3023, " NE2" at (-84.958, 6.035, -34.069), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 3024, "1HE2" at (-84.346, 5.540, -33.420), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3025, "2HE2" at (-84.583, 6.722, -34.722), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3026, " N " at (-89.772, 2.920, -35.962), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 3027, " HN " at (-89.462, 2.836, -34.994), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3028, " CA " at (-91.015, 2.272, -36.359), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3029, " C " at (-92.168, 3.247, -36.159), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3030, " O " at (-92.306, 3.844, -35.086), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3031, " CB " at (-91.235, 0.993, -35.549), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3032, " CG " at (-92.479, 0.235, -35.971), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3033, " OD1" at (-93.598, 0.742, -35.750), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3034, " OD2" at (-92.339, -0.873, -36.530), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3035, " N " at (-92.997, 3.404, -37.191), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 3036, " HN " at (-92.887, 2.798, -38.004), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3037, " CA " at (-94.055, 4.407, -37.205), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3038, " C " at (-95.449, 3.784, -37.171), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3039, " O " at (-96.403, 4.362, -37.696), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3040, " CB " at (-93.913, 5.309, -38.431), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3041, " CG " at (-92.517, 5.851, -38.742), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3042, " CD1" at (-92.553, 6.720, -39.990), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3043, " CD2" at (-91.953, 6.625, -37.561), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3044, " N " at (-95.586, 2.614, -36.552), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 3045, " HN " at (-94.773, 2.199, -36.097), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3046, " CA " at (-96.859, 1.907, -36.503), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3047, " C " at (-97.584, 2.083, -35.174), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3048, " O " at (-98.599, 1.418, -34.943), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3049, " CB " at (-96.647, 0.418, -36.786), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3050, " OG " at (-95.848, -0.182, -35.782), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3051, " HG " at (-95.716, -1.106, -35.958), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3052, " N " at (-97.095, 2.960, -34.302), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 3053, " HN " at (-96.280, 3.512, -34.571), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3054, " CA " at (-97.670, 3.169, -32.979), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3055, " C " at (-98.024, 4.642, -32.830), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3056, " O " at (-97.320, 5.514, -33.351), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3057, " CB " at (-96.701, 2.706, -31.869), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3058, " CG1" at (-97.159, 3.179, -30.496), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3059, " CG2" at (-96.572, 1.190, -31.886), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3060, " N " at (-99.131, 4.911, -32.131), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 3061, " HN " at (-99.669, 4.142, -31.730), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3062, " CA " at (-99.586, 6.286, -31.930), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3063, " C " at (-98.494, 7.121, -31.268), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3064, " O " at (-98.094, 8.171, -31.782), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3065, " CB " at (-100.885, 6.309, -31.106), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3066, " CG1" at (-101.294, 7.743, -30.803), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3067, " CG2" at (-101.995, 5.580, -31.848), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3068, " N " at (-97.999, 6.669, -30.118), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 3069, " HN " at (-98.350, 5.795, -29.728), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3070, " CA " at (-96.963, 7.406, -29.410), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3071, " C " at (-96.111, 6.445, -28.597), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3072, " O " at (-96.607, 5.447, -28.069), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3073, " CB " at (-97.554, 8.475, -28.485), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3074, " OG " at (-98.068, 7.891, -27.301), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3075, " HG " at (-98.434, 8.554, -26.727), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3076, " N " at (-94.823, 6.762, -28.503), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 3077, " HN " at (-94.468, 7.557, -29.034), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3078, " CA " at (-93.905, 6.005, -27.663), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3079, " C " at (-92.677, 6.863, -27.394), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3080, " O " at (-92.502, 7.936, -27.977), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3081, " CB " at (-93.512, 4.673, -28.307), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3082, " CG " at (-92.528, 4.791, -29.458), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3083, " CD " at (-91.996, 3.421, -29.845), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3084, " CE " at (-90.893, 3.521, -30.883), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3085, " NZ " at (-90.273, 2.193, -31.154), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 3086, " HZ1" at (-89.532, 2.260, -31.852), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3087, " HZ2" at (-90.974, 1.502, -31.421), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3088, " HZ3" at (-89.938, 1.756, -30.295), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3089, " N " at (-91.825, 6.371, -26.501), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 3090, " HN " at (-92.038, 5.472, -26.068), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3091, " CA " at (-90.599, 7.057, -26.112), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3092, " C " at (-89.434, 6.439, -26.871), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3093, " O " at (-89.262, 5.213, -26.873), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3094, " CB " at (-90.374, 6.976, -24.593), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3095, " CG1" at (-88.998, 7.511, -24.230), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3096, " CG2" at (-91.460, 7.745, -23.858), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3097, " N " at (-88.635, 7.285, -27.516), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 3098, " HN " at (-88.857, 8.280, -27.484), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3099, " CA " at (-87.458, 6.864, -28.267), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3100, " C " at (-86.219, 7.370, -27.541), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3101, " O " at (-86.101, 8.571, -27.265), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3102, " CB " at (-87.499, 7.383, -29.715), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3103, " CG1" at (-86.203, 7.053, -30.433), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3104, " CG2" at (-88.691, 6.794, -30.454), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3105, " N " at (-85.302, 6.458, -27.233), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 3106, " HN " at (-85.480, 5.485, -27.482), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3107, " CA " at (-84.054, 6.786, -26.556), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3108, " C " at (-82.927, 6.855, -27.576), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3109, " O " at (-82.725, 5.910, -28.347), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3110, " CB " at (-83.722, 5.746, -25.485), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3111, " CG " at (-84.881, 5.383, -24.574), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3112, " CD " at (-84.718, 5.994, -23.193), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3113, " CE " at (-85.458, 5.169, -22.151), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3114, " NZ " at (-85.274, 5.697, -20.772), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 3115, " HZ1" at (-85.770, 5.144, -20.073), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3116, " HZ2" at (-85.538, 6.681, -20.717), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3117, " HZ3" at (-84.284, 5.780, -20.540), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3118, " N " at (-82.198, 7.968, -27.579), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 3119, " HN " at (-82.436, 8.709, -26.919), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3120, " CA " at (-81.075, 8.175, -28.484), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3121, " C " at (-79.873, 8.616, -27.663), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3122, " O " at (-79.964, 9.573, -26.887), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3123, " CB " at (-81.393, 9.218, -29.572), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3124, " CG1" at (-80.227, 9.342, -30.541), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3125, " CG2" at (-82.671, 8.848, -30.311), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3126, " N " at (-78.750, 7.923, -27.835), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 3127, " HN " at (-78.746, 7.136, -28.484), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3128, " CA " at (-77.524, 8.260, -27.119), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3129, " C " at (-76.841, 9.418, -27.834), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3130, " O " at (-76.331, 9.259, -28.948), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3131, " CB " at (-76.601, 7.049, -27.025), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3132, " OG1" at (-77.301, 5.961, -26.408), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3133, " HG1" at (-78.068, 5.752, -26.929), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3134, " CG2" at (-75.374, 7.383, -26.191), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3135, " N " at (-76.840, 10.588, -27.202), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 3136, " HN " at (-77.289, 10.647, -26.288), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3137, " CA " at (-76.228, 11.790, -27.754), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3138, " C " at (-75.317, 12.381, -26.691), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3139, " O " at (-75.716, 12.501, -25.528), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3140, " CB " at (-77.284, 12.821, -28.194), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3141, " CG1" at (-78.316, 12.168, -29.114), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3142, " CG2" at (-76.620, 13.996, -28.893), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3143, " CD1" at (-79.490, 13.054, -29.443), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3144, " N " at (-74.095, 12.741, -27.089), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 3145, " HN " at (-73.838, 12.608, -28.067), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3146, " CA " at (-73.109, 13.320, -26.175), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3147, " C " at (-72.864, 12.407, -24.975), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3148, " O " at (-72.678, 12.872, -23.849), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3149, " CB " at (-73.532, 14.716, -25.712), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3150, " CG " at (-73.632, 15.705, -26.852), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3151, " OD1" at (-72.985, 15.478, -27.895), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3152, " OD2" at (-74.351, 16.715, -26.702), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3153, " N " at (-72.879, 11.096, -25.223), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 3154, " HN " at (-73.055, 10.798, -26.182), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3155, " CA " at (-72.661, 10.056, -24.219), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3156, " C " at (-73.762, 9.994, -23.169), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3157, " O " at (-73.527, 9.508, -22.058), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3158, " CB " at (-71.305, 10.214, -23.520), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3159, " CG " at (-70.114, 10.113, -24.439), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 3160, " CD1" at (-69.696, 8.885, -24.933), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 3161, " CD2" at (-69.397, 11.244, -24.800), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 3162, " CE1" at (-68.601, 8.787, -25.771), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 3163, " CE2" at (-68.300, 11.157, -25.637), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 3164, " CZ " at (-67.907, 9.927, -26.119), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 3165, " OH " at (-66.817, 9.838, -26.953), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3166, " HH " at (-66.339, 10.623, -27.193), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3167, " N " at (-74.964, 10.472, -23.482), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 3168, " HN " at (-75.102, 10.923, -24.386), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3169, " CA " at (-76.086, 10.365, -22.562), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3170, " C " at (-77.331, 9.960, -23.339), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3171, " O " at (-77.452, 10.233, -24.536), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3172, " CB " at (-76.326, 11.679, -21.795), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3173, " OG1" at (-77.112, 11.418, -20.625), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3174, " HG1" at (-77.260, 12.228, -20.152), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3175, " CG2" at (-77.053, 12.693, -22.660), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3176, " N " at (-78.248, 9.285, -22.650), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 3177, " HN " at (-78.076, 9.073, -21.667), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3178, " CA " at (-79.492, 8.841, -23.267), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3179, " C " at (-80.501, 9.982, -23.270), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3180, " O " at (-80.932, 10.442, -22.207), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3181, " CB " at (-80.059, 7.629, -22.532), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3182, " CG " at (-79.776, 6.296, -23.208), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3183, " CD " at (-80.670, 5.183, -22.692), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3184, " OE1" at (-81.608, 5.483, -21.922), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3185, " OE2" at (-80.438, 4.011, -23.056), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3186, " N " at (-80.880, 10.434, -24.462), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 3187, " HN " at (-80.450, 10.032, -25.295), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3188, " CA " at (-81.883, 11.478, -24.631), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3189, " C " at (-83.202, 10.821, -25.012), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3190, " O " at (-83.266, 10.053, -25.980), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3191, " CB " at (-81.452, 12.505, -25.691), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3192, " CG1" at (-80.129, 13.161, -25.292), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3193, " CG2" at (-82.527, 13.564, -25.871), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3194, " CD1" at (-80.215, 13.973, -24.020), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3195, " N " at (-84.252, 11.121, -24.253), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 3196, " HN " at (-84.128, 11.763, -23.470), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3197, " CA " at (-85.574, 10.563, -24.504), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3198, " C " at (-86.336, 11.472, -25.460), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3199, " O " at (-86.526, 12.660, -25.179), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3200, " CB " at (-86.344, 10.391, -23.196), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3201, " OG " at (-85.722, 9.428, -22.363), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3202, " HG " at (-86.201, 9.321, -21.550), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3203, " N " at (-86.764, 10.913, -26.587), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 3204, " HN " at (-86.491, 9.951, -26.786), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3205, " CA " at (-87.603, 11.608, -27.549), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3206, " C " at (-89.024, 11.070, -27.472), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3207, " O " at (-89.251, 9.922, -27.078), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3208, " CB " at (-87.075, 11.440, -28.976), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3209, " CG " at (-85.795, 12.176, -29.248), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 3210, " CD1" at (-84.582, 11.676, -28.805), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 3211, " CD2" at (-85.804, 13.359, -29.969), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 3212, " CE1" at (-83.403, 12.350, -29.064), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 3213, " CE2" at (-84.628, 14.036, -30.232), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 3214, " CZ " at (-83.426, 13.532, -29.778), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 3215, " N " at (-89.982, 11.905, -27.856), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 3216, " HN " at (-89.728, 12.860, -28.109), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3217, " CA " at (-91.381, 11.509, -27.929), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3218, " C " at (-91.790, 11.473, -29.394), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3219, " O " at (-91.751, 12.501, -30.078), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3220, " CB " at (-92.269, 12.466, -27.136), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3221, " CG " at (-93.565, 11.837, -26.660), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3222, " SD " at (-93.269, 10.422, -25.582), was assigned atom type "SA" (rec_index= 7, atom_type= 7).
Atom no. 3223, " CE " at (-94.945, 9.877, -25.260), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3224, " N " at (-92.166, 10.291, -29.874), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 3225, " HN " at (-92.200, 9.495, -29.237), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3226, " CA " at (-92.532, 10.082, -31.268), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3227, " C " at (-94.036, 9.865, -31.362), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3228, " O " at (-94.579, 8.971, -30.706), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3229, " CB " at (-91.784, 8.888, -31.858), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3230, " CG " at (-92.170, 8.513, -33.290), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3231, " CD1" at (-91.856, 9.656, -34.244), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3232, " CD2" at (-91.465, 7.237, -33.721), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3233, " N " at (-94.700, 10.677, -32.180), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 3234, " HN " at (-94.184, 11.417, -32.657), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3235, " CA " at (-96.129, 10.557, -32.425), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3236, " C " at (-96.354, 10.242, -33.895), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3237, " O " at (-95.814, 10.927, -34.770), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3238, " CB " at (-96.866, 11.838, -32.034), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3239, " CG " at (-96.847, 12.097, -30.565), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 3240, " CD1" at (-95.825, 12.636, -29.841), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 3241, " CD2" at (-97.900, 11.825, -29.633), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 3242, " NE1" at (-96.176, 12.718, -28.516), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 3243, " HE1" at (-95.588, 13.085, -27.768), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3244, " CE2" at (-97.445, 12.226, -28.362), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 3245, " CE3" at (-99.184, 11.284, -29.751), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 3246, " CZ2" at (-98.228, 12.103, -27.216), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 3247, " CZ3" at (-99.959, 11.161, -28.612), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 3248, " CH2" at (-99.479, 11.569, -27.362), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 3249, " N " at (-97.142, 9.206, -34.161), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 3250, " HN " at (-97.568, 8.699, -33.385), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3251, " CA " at (-97.417, 8.770, -35.520), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3252, " C " at (-98.910, 8.551, -35.702), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3253, " O " at (-99.623, 8.192, -34.761), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3254, " CB " at (-96.667, 7.479, -35.862), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3255, " SG " at (-94.890, 7.572, -35.609), was assigned atom type "SA" (rec_index= 7, atom_type= 7).
Atom no. 3256, " N " at (-99.373, 8.774, -36.928), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 3257, " HN " at (-98.741, 9.159, -37.630), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3258, " CA " at (-100.749, 8.489, -37.304), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3259, " C " at (-100.756, 7.961, -38.728), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3260, " O " at (-100.138, 8.558, -39.613), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3261, " CB " at (-101.637, 9.735, -37.191), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3262, " CG " at (-103.086, 9.492, -37.589), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3263, " CD " at (-104.052, 10.034, -36.547), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3264, " CE " at (-105.471, 9.550, -36.810), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3265, " NZ " at (-106.418, 9.981, -35.745), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 3266, " HZ1" at (-107.369, 9.657, -35.921), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3267, " HZ2" at (-106.391, 10.992, -35.614), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3268, " HZ3" at (-106.094, 9.690, -34.823), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3269, " N " at (-101.440, 6.834, -38.934), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 3270, " HN " at (-101.878, 6.376, -38.135), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3271, " CA " at (-101.589, 6.226, -40.257), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3272, " C " at (-100.233, 5.953, -40.906), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3273, " O " at (-100.061, 6.102, -42.118), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3274, " CB " at (-102.463, 7.093, -41.166), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3275, " CG " at (-103.863, 7.286, -40.614), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3276, " OD1" at (-104.383, 6.355, -39.960), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3277, " OD2" at (-104.444, 8.369, -40.831), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3278, " N " at (-99.258, 5.557, -40.091), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 3279, " HN " at (-99.426, 5.537, -39.085), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3280, " CA " at (-97.965, 5.154, -40.601), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3281, " C " at (-97.006, 6.275, -40.934), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3282, " O " at (-95.925, 5.999, -41.467), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3283, " N " at (-97.356, 7.525, -40.648), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 3284, " HN " at (-98.278, 7.701, -40.248), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3285, " CA " at (-96.466, 8.649, -40.887), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3286, " C " at (-96.238, 9.410, -39.589), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3287, " O " at (-97.005, 9.291, -38.630), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3288, " CB " at (-97.019, 9.589, -41.968), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3289, " CG " at (-98.366, 10.159, -41.648), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 3290, " ND1" at (-98.569, 11.072, -40.634), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 3291, " HD1" at (-97.845, 11.436, -40.015), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3292, " CD2" at (-99.578, 9.955, -42.217), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 3293, " CE1" at (-99.848, 11.401, -40.589), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 3294, " NE2" at (-100.482, 10.736, -41.538), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 3295, " HE2" at (-101.481, 10.793, -41.735), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3296, " N " at (-95.166, 10.200, -39.572), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 3297, " HN " at (-94.602, 10.302, -40.416), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3298, " CA " at (-94.788, 10.920, -38.363), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3299, " C " at (-95.721, 12.104, -38.154), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3300, " O " at (-95.902, 12.940, -39.048), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3301, " CB " at (-93.325, 11.380, -38.447), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3302, " CG1" at (-92.953, 12.193, -37.219), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3303, " CG2" at (-92.402, 10.184, -38.597), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3304, " N " at (-96.326, 12.175, -36.967), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 3305, " HN " at (-96.285, 11.377, -36.333), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3306, " CA " at (-97.046, 13.379, -36.564), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3307, " C " at (-96.076, 14.424, -36.026), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3308, " O " at (-96.000, 15.545, -36.541), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3309, " CB " at (-98.108, 13.037, -35.514), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3310, " CG " at (-99.411, 12.481, -36.071), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3311, " CD " at (-100.370, 13.569, -36.520), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3312, " OE1" at (-100.110, 14.206, -37.562), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3313, " OE2" at (-101.381, 13.793, -35.822), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3314, " N " at (-95.320, 14.067, -34.989), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 3315, " HN " at (-95.474, 13.156, -34.556), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3316, " CA " at (-94.282, 14.935, -34.455), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3317, " C " at (-93.206, 14.072, -33.813), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3318, " O " at (-93.373, 12.864, -33.627), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3319, " CB " at (-94.840, 15.941, -33.442), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3320, " OG1" at (-93.827, 16.901, -33.118), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3321, " HG1" at (-94.173, 17.524, -32.490), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3322, " CG2" at (-95.273, 15.231, -32.171), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3323, " N " at (-92.093, 14.718, -33.468), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 3324, " HN " at (-92.053, 15.730, -33.585), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3325, " CA " at (-90.929, 14.021, -32.927), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3326, " C " at (-90.034, 15.077, -32.293), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3327, " O " at (-89.480, 15.921, -33.004), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3328, " CB " at (-90.203, 13.255, -34.029), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3329, " CG " at (-89.007, 12.486, -33.554), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 3330, " CD1" at (-89.147, 11.458, -32.640), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 3331, " CD2" at (-87.744, 12.776, -34.042), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 3332, " CE1" at (-88.049, 10.743, -32.210), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 3333, " CE2" at (-86.640, 12.064, -33.614), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 3334, " CZ " at (-86.793, 11.047, -32.697), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 3335, " N " at (-89.902, 15.038, -30.970), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 3336, " HN " at (-90.278, 14.244, -30.451), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3337, " CA " at (-89.230, 16.110, -30.251), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3338, " C " at (-88.519, 15.546, -29.039), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3339, " O " at (-88.930, 14.507, -28.502), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3340, " CB " at (-90.227, 17.194, -29.815), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3341, " CG " at (-91.355, 16.683, -28.949), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 3342, " CD1" at (-92.533, 16.219, -29.518), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 3343, " CD2" at (-91.244, 16.668, -27.564), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 3344, " CE1" at (-93.568, 15.752, -28.734), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 3345, " CE2" at (-92.275, 16.201, -26.771), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 3346, " CZ " at (-93.435, 15.746, -27.362), was assigned atom type "A" (rec_index= 0, atom_type= 0).
Atom no. 3347, " OH " at (-94.466, 15.280, -26.580), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3348, " HH " at (-94.374, 15.276, -25.634), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3349, " N " at (-87.455, 16.195, -28.571), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 3350, " CA " at (-86.810, 15.774, -27.330), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3351, " C " at (-87.618, 16.208, -26.118), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3352, " O " at (-88.298, 17.236, -26.129), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3353, " CB " at (-85.453, 16.491, -27.366), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3354, " CG " at (-85.350, 17.119, -28.737), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3355, " CD " at (-86.747, 17.323, -29.201), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3356, " N " at (-87.529, 15.408, -25.061), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 3357, " HN " at (-86.952, 14.569, -25.117), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3358, " CA " at (-88.236, 15.703, -23.828), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3359, " C " at (-87.372, 16.583, -22.925), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3360, " O " at (-86.263, 16.989, -23.281), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3361, " CB " at (-88.644, 14.407, -23.129), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3362, " CG " at (-89.576, 13.539, -23.963), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3363, " CD " at (-89.937, 12.249, -23.247), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3364, " CE " at (-90.671, 12.524, -21.946), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3365, " NZ " at (-91.111, 11.264, -21.286), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 3366, " HZ1" at (-91.604, 11.449, -20.412), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3367, " HZ2" at (-90.328, 10.625, -21.144), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3368, " HZ3" at (-91.672, 10.690, -21.916), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3369, " N " at (-87.892, 16.888, -21.738), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 3370, " HN " at (-88.803, 16.504, -21.487), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3371, " CA " at (-87.205, 17.752, -20.784), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3372, " C " at (-85.868, 17.168, -20.347), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3373, " O " at (-84.808, 17.718, -20.665), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3374, " CB " at (-88.091, 17.996, -19.560), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3375, " CG " at (-89.385, 18.771, -19.811), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3376, " CD1" at (-90.200, 18.885, -18.531), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3377, " CD2" at (-89.059, 20.142, -20.369), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3378, " N " at (-85.910, 16.059, -19.617), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 3379, " HN " at (-86.814, 15.634, -19.409), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3380, " CA " at (-84.697, 15.435, -19.107), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3381, " C " at (-84.888, 13.934, -18.924), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3382, " O " at (-84.039, 13.137, -19.323), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3383, " CB " at (-84.284, 16.079, -17.782), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3384, " CG " at (-83.061, 15.455, -17.140), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3385, " CD " at (-82.812, 15.982, -15.742), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3386, " OE1" at (-81.808, 15.654, -15.109), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3387, " NE2" at (-83.732, 16.804, -15.249), was assigned atom type "N" (rec_index= 4, atom_type= 4).
Atom no. 3388, "1HE2" at (-84.564, 17.076, -15.773), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3389, "2HE2" at (-83.564, 17.159, -14.308), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3390, " C1 " at (-64.442, 38.584, -16.457), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3391, " O1 " at (-63.447, 39.506, -16.136), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3392, " H1 " at (-63.010, 39.733, -16.948), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3393, " C2 " at (-65.154, 38.214, -15.134), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3394, " O2 " at (-65.880, 39.276, -14.616), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3395, " H2 " at (-66.317, 39.049, -13.804), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3396, " C3 " at (-66.053, 37.005, -15.488), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3397, " O3 " at (-66.893, 36.797, -14.395), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3398, " H3 " at (-67.445, 36.055, -14.612), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3399, " C1 " at (-50.548, 13.597, -25.759), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3400, " O1 " at (-50.706, 14.884, -26.271), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3401, " H1 " at (-49.842, 15.278, -26.308), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3402, " C2 " at (-51.955, 12.955, -25.699), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3403, " O2 " at (-52.765, 13.556, -24.746), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3404, " H2 " at (-53.629, 13.162, -24.709), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3405, " C3 " at (-51.703, 11.458, -25.398), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3406, " O3 " at (-51.848, 10.775, -26.604), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3407, " H3 " at (-51.693, 9.856, -26.419), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3408, "MG " at (-90.198, 36.403, -36.300), was assigned atom type "Mg" (rec_index= 3, atom_type= 3).
Atom no. 3409, " C1 " at (-71.093, 9.803, -9.689), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3410, " O1 " at (-70.631, 10.942, -10.351), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3411, " H1 " at (-70.557, 10.725, -11.273), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3412, " C2 " at (-71.213, 10.157, -8.186), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3413, " O2 " at (-70.028, 9.927, -7.502), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3414, " H2 " at (-70.102, 10.144, -6.580), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3415, " C3 " at (-71.620, 11.650, -8.161), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3416, " O3 " at (-72.624, 11.810, -9.115), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3417, " H3 " at (-72.874, 12.726, -9.100), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3418, " C1 " at (-71.861, 28.468, -28.620), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3419, " O1 " at (-71.236, 28.262, -29.848), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3420, " H1 " at (-71.114, 29.117, -30.244), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3421, " C2 " at (-72.060, 27.076, -27.976), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3422, " O2 " at (-71.239, 26.894, -26.872), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3423, " H2 " at (-71.361, 26.039, -26.476), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3424, " C3 " at (-73.563, 27.014, -27.613), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3425, " O3 " at (-73.895, 25.665, -27.491), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3426, " H3 " at (-74.818, 25.627, -27.268), was assigned atom type "HD" (rec_index= 2, atom_type= 2).
Atom no. 3427, " C " at (-78.489, 30.724, -29.533), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Atom no. 3428, " O " at (-78.030, 30.394, -30.618), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3429, " OXT" at (-79.066, 29.934, -28.701), was assigned atom type "OA" (rec_index= 6, atom_type= 6).
Atom no. 3430, " CH3" at (-78.419, 32.173, -29.038), was assigned atom type "C" (rec_index= 1, atom_type= 1).
Maximum partial atomic charge found = +0.666 e
Minimum partial atomic charge found = -0.647 e
Atom Atom Number of this Type
Type ID in Receptor
____ ____ ___________________
0 A 234
1 C 1572
2 HD 609
3 Mg 1
4 N 454
5 NA 3
6 OA 545
7 SA 12
Total number of atoms : 3430 atoms
Total charge : -10.03 e
Receptor coordinates fit within the following volume:
_______(-39.9, 56.9, 3.0)
/| /|
/ | / |
/______/ |
| |___|__| Midpoint = (-73.6, 26.8, -27.0)
| / | /
| / | /
|/_____|/
(-107.4, -3.2, -57.0)
Maximum coordinates : (-39.917, 56.852, 2.954)
Minimum coordinates : (-107.369, -3.241, -57.046)
GPF> gridcenter -73.222 24.334 -26.677 # xyz-coordinates or auto
Grid maps will be centered on user-defined coordinates:
(-73.222, 24.334, -26.677)
Grid maps will cover the following volume:
_______(-39.6, 55.7, 2.9)
/| /|
/ | / |
/______/ |
| |___|__| Midpoint = (-73.2, 24.3, -26.7)
| / | /
| / | /
|/_____|/
(-106.8, -7.0, -56.3)
Grid map x-dimension : 67.2 Angstroms
Grid map y-dimension : 62.6 Angstroms
Grid map z-dimension : 59.2 Angstroms
Maximum coordinates : (-39.625, 55.653, 2.934)
Minimum coordinates : (-106.819, -6.985, -56.288)
GPF> smooth 0.5 # store minimum energy w/in rad(A)
Potentials will be smoothed by: 0.500 Angstrom
GPF> map 6vww.A.map # atom-specific affinity map
Output Grid Map 1: 6vww.A.map
GPF> map 6vww.C.map # atom-specific affinity map
Output Grid Map 2: 6vww.C.map
GPF> map 6vww.F.map # atom-specific affinity map
Output Grid Map 3: 6vww.F.map
GPF> map 6vww.NA.map # atom-specific affinity map
Output Grid Map 4: 6vww.NA.map
GPF> map 6vww.OA.map # atom-specific affinity map
Output Grid Map 5: 6vww.OA.map
GPF> map 6vww.N.map # atom-specific affinity map
Output Grid Map 6: 6vww.N.map
GPF> map 6vww.HD.map # atom-specific affinity map
Output Grid Map 7: 6vww.HD.map
GPF> elecmap 6vww.e.map # electrostatic potential map
Output Electrostatic Potential Energy Grid Map: 6vww.e.map
GPF> dsolvmap 6vww.d.map # desolvation potential map
Output Desolvation Free Energy Grid Map: 6vww.d.map
GPF> dielectric -0.1465 # <0, AD4 distance-dep.diel;>0, constant
Using *distance-dependent* dielectric function of Mehler and Solmajer, Prot.Eng.4, 903-910.
d Dielectric
___ __________
0.0 1.00
0.1 1.63
0.2 1.91
0.3 2.21
0.4 2.51
0.5 2.82
0.6 3.13
0.7 3.45
0.8 3.78
0.9 4.12
1.0 4.47
1.1 4.82
1.2 5.18
1.3 5.55
1.4 5.93
1.5 6.31
1.6 6.70
1.7 7.10
1.8 7.51
1.9 7.93
2.0 8.36
2.1 8.79
2.2 9.23
2.3 9.68
2.4 10.14
2.5 10.61
2.6 11.08
2.7 11.57
2.8 12.06
2.9 12.56
3.0 13.07
3.1 13.58
3.2 14.11
3.3 14.64
3.4 15.18
3.5 15.73
3.6 16.28
3.7 16.85
3.8 17.42
3.9 18.00
4.0 18.58
4.1 19.17
4.2 19.77
4.3 20.38
4.4 20.99
4.5 21.61
4.6 22.23
4.7 22.86
4.8 23.50
4.9 24.14
5.0 24.78
>>> Closing the grid parameter file (GPF)... <<<
________________________________________________________________________________
No Floating Grid was requested.
Calculating Pairwise Interaction Energies
=========================================
418256.0 204.2
E = ----------- - -----------
A, A 12 6
r r
Calculating energies for A-A interactions.
418256.0 204.2
E = ----------- - -----------
A, C 12 6
r r
Calculating energies for A-C interactions.
4837.8 13.3
E = ----------- - -----------
A, HD 12 6
r r
Calculating energies for A-HD interactions.
7221.6 41.7
E = ----------- - -----------
A, Mg 12 6
r r
Calculating energies for A-Mg interactions.
199118.6 143.2
E = ----------- - -----------
A, N 12 6
r r
Calculating energies for A-N interactions.
199118.6 143.2
E = ----------- - -----------
A, NA 12 6
r r
Calculating energies for A-NA interactions.
136402.3 125.3
E = ----------- - -----------
A, OA 12 6
r r
Calculating energies for A-OA interactions.
482960.4 235.8
E = ----------- - -----------
A, SA 12 6
r r
Calculating energies for A-SA interactions.
Finding the lowest pairwise interaction energy within 0.5 Angstrom ("smoothing").
r A C HD Mg N NA OA SA
___ ________ ________ ________ ________ ________ ________ ________ ________
0.0 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.1 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.2 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.3 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.4 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.5 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.6 1e+005 1e+005 33975.82 50659.06 1e+005 1e+005 1e+005 1e+005
0.7 1e+005 1e+005 8934.84 13307.62 1e+005 1e+005 1e+005 1e+005
0.8 1e+005 1e+005 2683.96 3990.12 1e+005 1e+005 75860.38 1e+005
0.9 78086.74 78086.74 898.48 1331.73 37154.78 37154.78 25440.38 90166.80
1.0 28688.80 28688.80 328.97 485.33 13645.79 13645.79 9340.64 33126.97
1.1 11380.24 11380.24 129.83 190.18 5410.18 5410.18 3701.64 13140.77
1.2 4820.04 4820.04 54.58 79.11 2289.72 2289.72 1565.60 5565.70
1.3 2160.29 2160.29 24.20 34.55 1025.13 1025.13 700.28 2494.48
1.4 1017.03 1017.03 11.22 15.67 481.90 481.90 328.77 1174.37
1.5 499.86 499.86 5.40 7.30 236.37 236.37 160.97 577.19
1.6 255.15 255.15 2.68 3.45 120.32 120.32 81.75 294.62
1.7 134.65 134.65 1.36 1.63 63.27 63.27 42.84 155.48
1.8 73.18 73.18 0.70 0.75 34.22 34.22 23.07 84.50
1.9 40.81 40.81 0.36 0.32 18.96 18.96 12.71 47.12
2.0 23.27 23.27 0.19 0.11 10.72 10.72 7.14 26.87
2.1 13.53 13.53 0.09 0.01 6.17 6.17 4.06 15.63
2.2 8.00 8.00 0.04 -0.04 3.59 3.59 2.34 9.24
2.3 4.79 4.79 0.02 -0.06 2.11 2.11 1.35 5.53
2.4 2.90 2.90 0.00 -0.06 1.25 1.25 0.78 3.35
2.5 1.76 1.76 -0.00 -0.06 0.73 0.73 0.44 2.04
2.6 1.08 1.08 -0.01 -0.06 0.43 0.43 0.24 1.24
2.7 0.65 0.65 -0.01 -0.06 0.24 0.24 0.12 0.75
2.8 0.39 0.39 -0.01 -0.06 0.13 0.13 0.05 0.45
2.9 0.23 0.23 -0.01 -0.06 0.06 0.06 0.01 0.26
3.0 0.13 0.13 -0.01 -0.06 0.02 0.02 -0.01 0.15
3.1 0.06 0.06 -0.01 -0.05 -0.00 -0.00 -0.02 0.07
3.2 0.03 0.03 -0.01 -0.05 -0.01 -0.01 -0.03 0.03
3.3 0.00 0.00 -0.01 -0.04 -0.02 -0.02 -0.03 0.00
3.4 -0.01 -0.01 -0.01 -0.04 -0.02 -0.02 -0.03 -0.01
3.5 -0.02 -0.02 -0.01 -0.03 -0.03 -0.03 -0.03 -0.02
3.6 -0.02 -0.02 -0.01 -0.03 -0.03 -0.03 -0.03 -0.03
3.7 -0.02 -0.02 -0.01 -0.02 -0.03 -0.03 -0.03 -0.03
3.8 -0.02 -0.02 -0.01 -0.02 -0.03 -0.03 -0.03 -0.03
3.9 -0.02 -0.02 -0.00 -0.02 -0.03 -0.03 -0.03 -0.03
4.0 -0.02 -0.02 -0.00 -0.01 -0.03 -0.03 -0.03 -0.03
4.1 -0.02 -0.02 -0.00 -0.01 -0.03 -0.03 -0.03 -0.03
4.2 -0.02 -0.02 -0.00 -0.01 -0.02 -0.02 -0.02 -0.03
4.3 -0.02 -0.02 -0.00 -0.01 -0.02 -0.02 -0.02 -0.03
4.4 -0.02 -0.02 -0.00 -0.01 -0.02 -0.02 -0.02 -0.03
4.5 -0.02 -0.02 -0.00 -0.01 -0.02 -0.02 -0.02 -0.03
4.6 -0.02 -0.02 -0.00 -0.01 -0.02 -0.02 -0.02 -0.02
4.7 -0.02 -0.02 -0.00 -0.01 -0.02 -0.02 -0.01 -0.02
4.8 -0.02 -0.02 -0.00 -0.00 -0.01 -0.01 -0.01 -0.02
4.9 -0.02 -0.02 -0.00 -0.00 -0.01 -0.01 -0.01 -0.02
5.0 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 -0.01 -0.02
EnergyTable:
Finding the lowest pairwise interaction energy within 0.5 Angstrom ("smoothing").
r A C HD Mg N NA OA SA
___ ________ ________ ________ ________ ________ ________ ________ ________
0.0 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.1 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.2 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.3 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.4 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.5 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.6 1e+005 1e+005 33975.82 50659.06 1e+005 1e+005 1e+005 1e+005
0.7 1e+005 1e+005 8934.84 13307.62 1e+005 1e+005 1e+005 1e+005
0.8 1e+005 1e+005 2683.96 3990.12 1e+005 1e+005 75860.38 1e+005
0.9 78086.74 78086.74 898.48 1331.73 37154.78 37154.78 25440.38 90166.80
1.0 28688.80 28688.80 328.97 485.33 13645.79 13645.79 9340.64 33126.97
1.1 11380.24 11380.24 129.83 190.18 5410.18 5410.18 3701.64 13140.77
1.2 4820.04 4820.04 54.58 79.11 2289.72 2289.72 1565.60 5565.70
1.3 2160.29 2160.29 24.20 34.55 1025.13 1025.13 700.28 2494.48
1.4 1017.03 1017.03 11.22 15.67 481.90 481.90 328.77 1174.37
1.5 499.86 499.86 5.40 7.30 236.37 236.37 160.97 577.19
1.6 255.15 255.15 2.68 3.45 120.32 120.32 81.75 294.62
1.7 134.65 134.65 1.36 1.63 63.27 63.27 42.84 155.48
1.8 73.18 73.18 0.70 0.75 34.22 34.22 23.07 84.50
1.9 40.81 40.81 0.36 0.32 18.96 18.96 12.71 47.12
2.0 23.27 23.27 0.19 0.11 10.72 10.72 7.14 26.87
2.1 13.53 13.53 0.09 0.01 6.17 6.17 4.06 15.63
2.2 8.00 8.00 0.04 -0.04 3.59 3.59 2.34 9.24
2.3 4.79 4.79 0.02 -0.06 2.11 2.11 1.35 5.53
2.4 2.90 2.90 0.00 -0.06 1.25 1.25 0.78 3.35
2.5 1.76 1.76 -0.00 -0.06 0.73 0.73 0.44 2.04
2.6 1.08 1.08 -0.01 -0.06 0.43 0.43 0.24 1.24
2.7 0.65 0.65 -0.01 -0.06 0.24 0.24 0.12 0.75
2.8 0.39 0.39 -0.01 -0.06 0.13 0.13 0.05 0.45
2.9 0.23 0.23 -0.01 -0.06 0.06 0.06 0.01 0.26
3.0 0.13 0.13 -0.01 -0.06 0.02 0.02 -0.01 0.15
3.1 0.06 0.06 -0.01 -0.05 -0.00 -0.00 -0.02 0.07
3.2 0.03 0.03 -0.01 -0.05 -0.01 -0.01 -0.03 0.03
3.3 0.00 0.00 -0.01 -0.04 -0.02 -0.02 -0.03 0.00
3.4 -0.01 -0.01 -0.01 -0.04 -0.02 -0.02 -0.03 -0.01
3.5 -0.02 -0.02 -0.01 -0.03 -0.03 -0.03 -0.03 -0.02
3.6 -0.02 -0.02 -0.01 -0.03 -0.03 -0.03 -0.03 -0.03
3.7 -0.02 -0.02 -0.01 -0.02 -0.03 -0.03 -0.03 -0.03
3.8 -0.02 -0.02 -0.01 -0.02 -0.03 -0.03 -0.03 -0.03
3.9 -0.02 -0.02 -0.00 -0.02 -0.03 -0.03 -0.03 -0.03
4.0 -0.02 -0.02 -0.00 -0.01 -0.03 -0.03 -0.03 -0.03
4.1 -0.02 -0.02 -0.00 -0.01 -0.03 -0.03 -0.03 -0.03
4.2 -0.02 -0.02 -0.00 -0.01 -0.02 -0.02 -0.02 -0.03
4.3 -0.02 -0.02 -0.00 -0.01 -0.02 -0.02 -0.02 -0.03
4.4 -0.02 -0.02 -0.00 -0.01 -0.02 -0.02 -0.02 -0.03
4.5 -0.02 -0.02 -0.00 -0.01 -0.02 -0.02 -0.02 -0.03
4.6 -0.02 -0.02 -0.00 -0.01 -0.02 -0.02 -0.02 -0.02
4.7 -0.02 -0.02 -0.00 -0.01 -0.02 -0.02 -0.01 -0.02
4.8 -0.02 -0.02 -0.00 -0.00 -0.01 -0.01 -0.01 -0.02
4.9 -0.02 -0.02 -0.00 -0.00 -0.01 -0.01 -0.01 -0.02
5.0 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 -0.01 -0.02
418256.0 204.2
E = ----------- - -----------
C, A 12 6
r r
Calculating energies for C-A interactions.
418256.0 204.2
E = ----------- - -----------
C, C 12 6
r r
Calculating energies for C-C interactions.
4837.8 13.3
E = ----------- - -----------
C, HD 12 6
r r
Calculating energies for C-HD interactions.
7221.6 41.7
E = ----------- - -----------
C, Mg 12 6
r r
Calculating energies for C-Mg interactions.
199118.6 143.2
E = ----------- - -----------
C, N 12 6
r r
Calculating energies for C-N interactions.
199118.6 143.2
E = ----------- - -----------
C, NA 12 6
r r
Calculating energies for C-NA interactions.
136402.3 125.3
E = ----------- - -----------
C, OA 12 6
r r
Calculating energies for C-OA interactions.
482960.4 235.8
E = ----------- - -----------
C, SA 12 6
r r
Calculating energies for C-SA interactions.
Finding the lowest pairwise interaction energy within 0.5 Angstrom ("smoothing").
r A C HD Mg N NA OA SA
___ ________ ________ ________ ________ ________ ________ ________ ________
0.0 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.1 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.2 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.3 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.4 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.5 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.6 1e+005 1e+005 33975.82 50659.06 1e+005 1e+005 1e+005 1e+005
0.7 1e+005 1e+005 8934.84 13307.62 1e+005 1e+005 1e+005 1e+005
0.8 1e+005 1e+005 2683.96 3990.12 1e+005 1e+005 75860.38 1e+005
0.9 78086.74 78086.74 898.48 1331.73 37154.78 37154.78 25440.38 90166.80
1.0 28688.80 28688.80 328.97 485.33 13645.79 13645.79 9340.64 33126.97
1.1 11380.24 11380.24 129.83 190.18 5410.18 5410.18 3701.64 13140.77
1.2 4820.04 4820.04 54.58 79.11 2289.72 2289.72 1565.60 5565.70
1.3 2160.29 2160.29 24.20 34.55 1025.13 1025.13 700.28 2494.48
1.4 1017.03 1017.03 11.22 15.67 481.90 481.90 328.77 1174.37
1.5 499.86 499.86 5.40 7.30 236.37 236.37 160.97 577.19
1.6 255.15 255.15 2.68 3.45 120.32 120.32 81.75 294.62
1.7 134.65 134.65 1.36 1.63 63.27 63.27 42.84 155.48
1.8 73.18 73.18 0.70 0.75 34.22 34.22 23.07 84.50
1.9 40.81 40.81 0.36 0.32 18.96 18.96 12.71 47.12
2.0 23.27 23.27 0.19 0.11 10.72 10.72 7.14 26.87
2.1 13.53 13.53 0.09 0.01 6.17 6.17 4.06 15.63
2.2 8.00 8.00 0.04 -0.04 3.59 3.59 2.34 9.24
2.3 4.79 4.79 0.02 -0.06 2.11 2.11 1.35 5.53
2.4 2.90 2.90 0.00 -0.06 1.25 1.25 0.78 3.35
2.5 1.76 1.76 -0.00 -0.06 0.73 0.73 0.44 2.04
2.6 1.08 1.08 -0.01 -0.06 0.43 0.43 0.24 1.24
2.7 0.65 0.65 -0.01 -0.06 0.24 0.24 0.12 0.75
2.8 0.39 0.39 -0.01 -0.06 0.13 0.13 0.05 0.45
2.9 0.23 0.23 -0.01 -0.06 0.06 0.06 0.01 0.26
3.0 0.13 0.13 -0.01 -0.06 0.02 0.02 -0.01 0.15
3.1 0.06 0.06 -0.01 -0.05 -0.00 -0.00 -0.02 0.07
3.2 0.03 0.03 -0.01 -0.05 -0.01 -0.01 -0.03 0.03
3.3 0.00 0.00 -0.01 -0.04 -0.02 -0.02 -0.03 0.00
3.4 -0.01 -0.01 -0.01 -0.04 -0.02 -0.02 -0.03 -0.01
3.5 -0.02 -0.02 -0.01 -0.03 -0.03 -0.03 -0.03 -0.02
3.6 -0.02 -0.02 -0.01 -0.03 -0.03 -0.03 -0.03 -0.03
3.7 -0.02 -0.02 -0.01 -0.02 -0.03 -0.03 -0.03 -0.03
3.8 -0.02 -0.02 -0.01 -0.02 -0.03 -0.03 -0.03 -0.03
3.9 -0.02 -0.02 -0.00 -0.02 -0.03 -0.03 -0.03 -0.03
4.0 -0.02 -0.02 -0.00 -0.01 -0.03 -0.03 -0.03 -0.03
4.1 -0.02 -0.02 -0.00 -0.01 -0.03 -0.03 -0.03 -0.03
4.2 -0.02 -0.02 -0.00 -0.01 -0.02 -0.02 -0.02 -0.03
4.3 -0.02 -0.02 -0.00 -0.01 -0.02 -0.02 -0.02 -0.03
4.4 -0.02 -0.02 -0.00 -0.01 -0.02 -0.02 -0.02 -0.03
4.5 -0.02 -0.02 -0.00 -0.01 -0.02 -0.02 -0.02 -0.03
4.6 -0.02 -0.02 -0.00 -0.01 -0.02 -0.02 -0.02 -0.02
4.7 -0.02 -0.02 -0.00 -0.01 -0.02 -0.02 -0.01 -0.02
4.8 -0.02 -0.02 -0.00 -0.00 -0.01 -0.01 -0.01 -0.02
4.9 -0.02 -0.02 -0.00 -0.00 -0.01 -0.01 -0.01 -0.02
5.0 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 -0.01 -0.02
EnergyTable:
Finding the lowest pairwise interaction energy within 0.5 Angstrom ("smoothing").
r A C HD Mg N NA OA SA
___ ________ ________ ________ ________ ________ ________ ________ ________
0.0 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.1 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.2 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.3 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.4 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.5 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.6 1e+005 1e+005 33975.82 50659.06 1e+005 1e+005 1e+005 1e+005
0.7 1e+005 1e+005 8934.84 13307.62 1e+005 1e+005 1e+005 1e+005
0.8 1e+005 1e+005 2683.96 3990.12 1e+005 1e+005 75860.38 1e+005
0.9 78086.74 78086.74 898.48 1331.73 37154.78 37154.78 25440.38 90166.80
1.0 28688.80 28688.80 328.97 485.33 13645.79 13645.79 9340.64 33126.97
1.1 11380.24 11380.24 129.83 190.18 5410.18 5410.18 3701.64 13140.77
1.2 4820.04 4820.04 54.58 79.11 2289.72 2289.72 1565.60 5565.70
1.3 2160.29 2160.29 24.20 34.55 1025.13 1025.13 700.28 2494.48
1.4 1017.03 1017.03 11.22 15.67 481.90 481.90 328.77 1174.37
1.5 499.86 499.86 5.40 7.30 236.37 236.37 160.97 577.19
1.6 255.15 255.15 2.68 3.45 120.32 120.32 81.75 294.62
1.7 134.65 134.65 1.36 1.63 63.27 63.27 42.84 155.48
1.8 73.18 73.18 0.70 0.75 34.22 34.22 23.07 84.50
1.9 40.81 40.81 0.36 0.32 18.96 18.96 12.71 47.12
2.0 23.27 23.27 0.19 0.11 10.72 10.72 7.14 26.87
2.1 13.53 13.53 0.09 0.01 6.17 6.17 4.06 15.63
2.2 8.00 8.00 0.04 -0.04 3.59 3.59 2.34 9.24
2.3 4.79 4.79 0.02 -0.06 2.11 2.11 1.35 5.53
2.4 2.90 2.90 0.00 -0.06 1.25 1.25 0.78 3.35
2.5 1.76 1.76 -0.00 -0.06 0.73 0.73 0.44 2.04
2.6 1.08 1.08 -0.01 -0.06 0.43 0.43 0.24 1.24
2.7 0.65 0.65 -0.01 -0.06 0.24 0.24 0.12 0.75
2.8 0.39 0.39 -0.01 -0.06 0.13 0.13 0.05 0.45
2.9 0.23 0.23 -0.01 -0.06 0.06 0.06 0.01 0.26
3.0 0.13 0.13 -0.01 -0.06 0.02 0.02 -0.01 0.15
3.1 0.06 0.06 -0.01 -0.05 -0.00 -0.00 -0.02 0.07
3.2 0.03 0.03 -0.01 -0.05 -0.01 -0.01 -0.03 0.03
3.3 0.00 0.00 -0.01 -0.04 -0.02 -0.02 -0.03 0.00
3.4 -0.01 -0.01 -0.01 -0.04 -0.02 -0.02 -0.03 -0.01
3.5 -0.02 -0.02 -0.01 -0.03 -0.03 -0.03 -0.03 -0.02
3.6 -0.02 -0.02 -0.01 -0.03 -0.03 -0.03 -0.03 -0.03
3.7 -0.02 -0.02 -0.01 -0.02 -0.03 -0.03 -0.03 -0.03
3.8 -0.02 -0.02 -0.01 -0.02 -0.03 -0.03 -0.03 -0.03
3.9 -0.02 -0.02 -0.00 -0.02 -0.03 -0.03 -0.03 -0.03
4.0 -0.02 -0.02 -0.00 -0.01 -0.03 -0.03 -0.03 -0.03
4.1 -0.02 -0.02 -0.00 -0.01 -0.03 -0.03 -0.03 -0.03
4.2 -0.02 -0.02 -0.00 -0.01 -0.02 -0.02 -0.02 -0.03
4.3 -0.02 -0.02 -0.00 -0.01 -0.02 -0.02 -0.02 -0.03
4.4 -0.02 -0.02 -0.00 -0.01 -0.02 -0.02 -0.02 -0.03
4.5 -0.02 -0.02 -0.00 -0.01 -0.02 -0.02 -0.02 -0.03
4.6 -0.02 -0.02 -0.00 -0.01 -0.02 -0.02 -0.02 -0.02
4.7 -0.02 -0.02 -0.00 -0.01 -0.02 -0.02 -0.01 -0.02
4.8 -0.02 -0.02 -0.00 -0.00 -0.01 -0.01 -0.01 -0.02
4.9 -0.02 -0.02 -0.00 -0.00 -0.01 -0.01 -0.01 -0.02
5.0 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 -0.01 -0.02
71716.1 72.3
E = ----------- - -----------
F, A 12 6
r r
Calculating energies for F-A interactions.
71716.1 72.3
E = ----------- - -----------
F, C 12 6
r r
Calculating energies for F-C interactions.
490.8 3.6
E = ----------- - -----------
F, HD 12 6
r r
Calculating energies for F-HD interactions.
550.0 9.8
E = ----------- - -----------
F, Mg 12 6
r r
Calculating energies for F-Mg interactions.
30796.5 48.1
E = ----------- - -----------
F, N 12 6
r r
Calculating energies for F-N interactions.
30796.5 48.1
E = ----------- - -----------
F, NA 12 6
r r
Calculating energies for F-NA interactions.
19685.2 40.7
E = ----------- - -----------
F, OA 12 6
r r
Calculating energies for F-OA interactions.
82810.6 83.4
E = ----------- - -----------
F, SA 12 6
r r
Calculating energies for F-SA interactions.
Finding the lowest pairwise interaction energy within 0.5 Angstrom ("smoothing").
r A C HD Mg N NA OA SA
___ ________ ________ ________ ________ ________ ________ ________ ________
0.0 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.1 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.2 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.3 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.4 1e+005 1e+005 86246.81 96571.27 1e+005 1e+005 1e+005 1e+005
0.5 1e+005 1e+005 15475.33 17309.11 1e+005 1e+005 1e+005 1e+005
0.6 1e+005 1e+005 3441.20 3840.86 1e+005 1e+005 1e+005 1e+005
0.7 1e+005 1e+005 903.45 1004.53 56927.04 56927.04 36374.35 1e+005
0.8 39880.27 39880.27 270.62 298.94 17112.72 17112.72 10931.07 46049.77
0.9 13373.00 13373.00 90.18 98.55 5735.27 5735.27 3661.71 15441.81
1.0 4909.35 4909.35 32.78 35.22 2103.70 2103.70 1342.09 5668.82
1.1 1945.15 1945.15 12.80 13.39 832.47 832.47 530.48 2246.07
1.2 822.46 822.46 5.29 5.31 351.34 351.34 223.51 949.69
1.3 367.73 367.73 2.29 2.15 156.68 156.68 99.43 424.61
1.4 172.54 172.54 1.03 0.86 73.24 73.24 46.33 199.23
1.5 84.41 84.41 0.47 0.32 35.65 35.65 22.44 97.47
1.6 42.82 42.82 0.22 0.10 17.96 17.96 11.23 49.44
1.7 22.41 22.41 0.10 0.00 9.31 9.31 5.77 25.88
1.8 12.05 12.05 0.04 -0.03 4.94 4.94 3.03 13.91
1.9 6.62 6.62 0.01 -0.04 2.67 2.67 1.61 7.64
2.0 3.70 3.70 0.00 -0.04 1.46 1.46 0.86 4.28
2.1 2.10 2.10 -0.00 -0.04 0.80 0.80 0.45 2.42
2.2 1.20 1.20 -0.01 -0.04 0.44 0.44 0.23 1.38
2.3 0.69 0.69 -0.01 -0.04 0.23 0.23 0.11 0.79
2.4 0.39 0.39 -0.01 -0.04 0.12 0.12 0.05 0.45
2.5 0.22 0.22 -0.01 -0.04 0.05 0.05 0.01 0.25
2.6 0.11 0.11 -0.01 -0.04 0.02 0.02 -0.01 0.13
2.7 0.06 0.06 -0.01 -0.03 -0.00 -0.00 -0.02 0.06
2.8 0.02 0.02 -0.01 -0.03 -0.01 -0.01 -0.02 0.02
2.9 0.00 0.00 -0.01 -0.02 -0.02 -0.02 -0.02 0.00
3.0 -0.01 -0.01 -0.01 -0.02 -0.02 -0.02 -0.02 -0.01
3.1 -0.02 -0.02 -0.01 -0.02 -0.02 -0.02 -0.02 -0.02
3.2 -0.02 -0.02 -0.00 -0.01 -0.02 -0.02 -0.02 -0.02
3.3 -0.02 -0.02 -0.00 -0.01 -0.02 -0.02 -0.02 -0.02
3.4 -0.02 -0.02 -0.00 -0.01 -0.02 -0.02 -0.02 -0.02
3.5 -0.02 -0.02 -0.00 -0.01 -0.02 -0.02 -0.02 -0.02
3.6 -0.02 -0.02 -0.00 -0.01 -0.02 -0.02 -0.02 -0.02
3.7 -0.02 -0.02 -0.00 -0.01 -0.02 -0.02 -0.02 -0.02
3.8 -0.02 -0.02 -0.00 -0.00 -0.02 -0.02 -0.02 -0.02
3.9 -0.02 -0.02 -0.00 -0.00 -0.01 -0.01 -0.01 -0.02
4.0 -0.02 -0.02 -0.00 -0.00 -0.01 -0.01 -0.01 -0.02
4.1 -0.02 -0.02 -0.00 -0.00 -0.01 -0.01 -0.01 -0.02
4.2 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 -0.01 -0.02
4.3 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 -0.01 -0.01
4.4 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 -0.01 -0.01
4.5 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 -0.01 -0.01
4.6 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 -0.01 -0.01
4.7 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 -0.00 -0.01
4.8 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 -0.00 -0.01
4.9 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01
5.0 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01
EnergyTable:
Finding the lowest pairwise interaction energy within 0.5 Angstrom ("smoothing").
r A C HD Mg N NA OA SA
___ ________ ________ ________ ________ ________ ________ ________ ________
0.0 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.1 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.2 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.3 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.4 1e+005 1e+005 86246.81 96571.27 1e+005 1e+005 1e+005 1e+005
0.5 1e+005 1e+005 15475.33 17309.11 1e+005 1e+005 1e+005 1e+005
0.6 1e+005 1e+005 3441.20 3840.86 1e+005 1e+005 1e+005 1e+005
0.7 1e+005 1e+005 903.45 1004.53 56927.04 56927.04 36374.35 1e+005
0.8 39880.27 39880.27 270.62 298.94 17112.72 17112.72 10931.07 46049.77
0.9 13373.00 13373.00 90.18 98.55 5735.27 5735.27 3661.71 15441.81
1.0 4909.35 4909.35 32.78 35.22 2103.70 2103.70 1342.09 5668.82
1.1 1945.15 1945.15 12.80 13.39 832.47 832.47 530.48 2246.07
1.2 822.46 822.46 5.29 5.31 351.34 351.34 223.51 949.69
1.3 367.73 367.73 2.29 2.15 156.68 156.68 99.43 424.61
1.4 172.54 172.54 1.03 0.86 73.24 73.24 46.33 199.23
1.5 84.41 84.41 0.47 0.32 35.65 35.65 22.44 97.47
1.6 42.82 42.82 0.22 0.10 17.96 17.96 11.23 49.44
1.7 22.41 22.41 0.10 0.00 9.31 9.31 5.77 25.88
1.8 12.05 12.05 0.04 -0.03 4.94 4.94 3.03 13.91
1.9 6.62 6.62 0.01 -0.04 2.67 2.67 1.61 7.64
2.0 3.70 3.70 0.00 -0.04 1.46 1.46 0.86 4.28
2.1 2.10 2.10 -0.00 -0.04 0.80 0.80 0.45 2.42
2.2 1.20 1.20 -0.01 -0.04 0.44 0.44 0.23 1.38
2.3 0.69 0.69 -0.01 -0.04 0.23 0.23 0.11 0.79
2.4 0.39 0.39 -0.01 -0.04 0.12 0.12 0.05 0.45
2.5 0.22 0.22 -0.01 -0.04 0.05 0.05 0.01 0.25
2.6 0.11 0.11 -0.01 -0.04 0.02 0.02 -0.01 0.13
2.7 0.06 0.06 -0.01 -0.03 -0.00 -0.00 -0.02 0.06
2.8 0.02 0.02 -0.01 -0.03 -0.01 -0.01 -0.02 0.02
2.9 0.00 0.00 -0.01 -0.02 -0.02 -0.02 -0.02 0.00
3.0 -0.01 -0.01 -0.01 -0.02 -0.02 -0.02 -0.02 -0.01
3.1 -0.02 -0.02 -0.01 -0.02 -0.02 -0.02 -0.02 -0.02
3.2 -0.02 -0.02 -0.00 -0.01 -0.02 -0.02 -0.02 -0.02
3.3 -0.02 -0.02 -0.00 -0.01 -0.02 -0.02 -0.02 -0.02
3.4 -0.02 -0.02 -0.00 -0.01 -0.02 -0.02 -0.02 -0.02
3.5 -0.02 -0.02 -0.00 -0.01 -0.02 -0.02 -0.02 -0.02
3.6 -0.02 -0.02 -0.00 -0.01 -0.02 -0.02 -0.02 -0.02
3.7 -0.02 -0.02 -0.00 -0.01 -0.02 -0.02 -0.02 -0.02
3.8 -0.02 -0.02 -0.00 -0.00 -0.02 -0.02 -0.02 -0.02
3.9 -0.02 -0.02 -0.00 -0.00 -0.01 -0.01 -0.01 -0.02
4.0 -0.02 -0.02 -0.00 -0.00 -0.01 -0.01 -0.01 -0.02
4.1 -0.02 -0.02 -0.00 -0.00 -0.01 -0.01 -0.01 -0.02
4.2 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 -0.01 -0.02
4.3 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 -0.01 -0.01
4.4 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 -0.01 -0.01
4.5 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 -0.01 -0.01
4.6 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 -0.01 -0.01
4.7 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 -0.00 -0.01
4.8 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 -0.00 -0.01
4.9 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01
5.0 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01
199118.6 143.2
E = ----------- - -----------
NA, A 12 6
r r
Calculating energies for NA-A interactions.
199118.6 143.2
E = ----------- - -----------
NA, C 12 6
r r
Calculating energies for NA-C interactions.
6689.7 2223.7
E = ----------- - -----------
NA, HD 12 10
r r
Calculating energies for NA-HD interactions.
2271.1 23.8
E = ----------- - -----------
NA, Mg 12 6
r r
Calculating energies for NA-Mg interactions.
89860.2 97.8
E = ----------- - -----------
NA, N 12 6
r r
Calculating energies for NA-N interactions.
89860.2 97.8
E = ----------- - -----------
NA, NA 12 6
r r
Calculating energies for NA-NA interactions.
59394.2 84.0
E = ----------- - -----------
NA, OA 12 6
r r
Calculating energies for NA-OA interactions.
229922.4 165.4
E = ----------- - -----------
NA, SA 12 6
r r
Calculating energies for NA-SA interactions.
Finding the lowest pairwise interaction energy within 0.5 Angstrom ("smoothing").
r A C HD Mg N NA OA SA
___ ________ ________ ________ ________ ________ ________ ________ ________
0.0 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.1 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.2 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.3 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.4 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.5 1e+005 1e+005 1e+005 71562.43 1e+005 1e+005 1e+005 1e+005
0.6 1e+005 1e+005 35735.60 15903.23 1e+005 1e+005 1e+005 1e+005
0.7 1e+005 1e+005 8666.11 4170.54 1e+005 1e+005 1e+005 1e+005
0.8 1e+005 1e+005 2359.92 1246.88 49964.58 49964.58 33010.17 1e+005
0.9 37154.78 37154.78 700.69 414.20 16753.25 16753.25 11064.86 42902.65
1.0 13645.79 13645.79 220.94 149.84 6149.52 6149.52 4059.50 15756.80
1.1 5410.18 5410.18 71.96 58.05 2436.09 2436.09 1606.95 6247.14
1.2 2289.72 2289.72 23.32 23.73 1029.76 1029.76 678.54 2643.95
1.3 1025.13 1025.13 7.01 10.10 460.24 460.24 302.80 1183.72
1.4 481.90 481.90 1.56 4.40 215.83 215.83 141.70 556.45
1.5 236.37 236.37 -0.15 1.93 105.52 105.52 69.07 272.94
1.6 120.32 120.32 -0.57 0.82 53.47 53.47 34.86 138.94
1.7 63.27 63.27 -0.60 0.32 27.95 27.95 18.12 73.05
1.8 34.22 34.22 -0.60 0.09 15.00 15.00 9.65 39.51
1.9 18.96 18.96 -0.60 -0.01 8.22 8.22 5.24 21.89
2.0 10.72 10.72 -0.60 -0.05 4.58 4.58 2.88 12.38
2.1 6.17 6.17 -0.60 -0.06 2.59 2.59 1.59 7.12
2.2 3.59 3.59 -0.58 -0.06 1.47 1.47 0.88 4.15
2.3 2.11 2.11 -0.48 -0.06 0.83 0.83 0.48 2.44
2.4 1.25 1.25 -0.37 -0.06 0.47 0.47 0.25 1.44
2.5 0.73 0.73 -0.27 -0.06 0.25 0.25 0.12 0.85
2.6 0.43 0.43 -0.20 -0.06 0.13 0.13 0.05 0.49
2.7 0.24 0.24 -0.14 -0.06 0.06 0.06 0.01 0.28
2.8 0.13 0.13 -0.10 -0.06 0.02 0.02 -0.01 0.15
2.9 0.06 0.06 -0.07 -0.05 -0.01 -0.01 -0.02 0.07
3.0 0.02 0.02 -0.05 -0.04 -0.02 -0.02 -0.03 0.03
3.1 -0.00 -0.00 -0.04 -0.04 -0.02 -0.02 -0.03 -0.00
3.2 -0.01 -0.01 -0.03 -0.03 -0.03 -0.03 -0.03 -0.02
3.3 -0.02 -0.02 -0.02 -0.03 -0.03 -0.03 -0.03 -0.03
3.4 -0.02 -0.02 -0.02 -0.02 -0.03 -0.03 -0.03 -0.03
3.5 -0.03 -0.03 -0.01 -0.02 -0.03 -0.03 -0.03 -0.03
3.6 -0.03 -0.03 -0.01 -0.02 -0.03 -0.03 -0.03 -0.03
3.7 -0.03 -0.03 -0.01 -0.01 -0.03 -0.03 -0.03 -0.03
3.8 -0.03 -0.03 -0.01 -0.01 -0.03 -0.03 -0.03 -0.03
3.9 -0.03 -0.03 -0.00 -0.01 -0.03 -0.03 -0.02 -0.03
4.0 -0.03 -0.03 -0.00 -0.01 -0.02 -0.02 -0.02 -0.03
4.1 -0.03 -0.03 -0.00 -0.01 -0.02 -0.02 -0.02 -0.03
4.2 -0.02 -0.02 -0.00 -0.01 -0.02 -0.02 -0.02 -0.03
4.3 -0.02 -0.02 -0.00 -0.01 -0.02 -0.02 -0.02 -0.03
4.4 -0.02 -0.02 -0.00 -0.00 -0.02 -0.02 -0.01 -0.02
4.5 -0.02 -0.02 -0.00 -0.00 -0.01 -0.01 -0.01 -0.02
4.6 -0.02 -0.02 -0.00 -0.00 -0.01 -0.01 -0.01 -0.02
4.7 -0.02 -0.02 -0.00 -0.00 -0.01 -0.01 -0.01 -0.02
4.8 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 -0.01 -0.02
4.9 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 -0.01 -0.01
5.0 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 -0.01 -0.01
EnergyTable:
Finding the lowest pairwise interaction energy within 0.5 Angstrom ("smoothing").
r A C HD Mg N NA OA SA
___ ________ ________ ________ ________ ________ ________ ________ ________
0.0 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.1 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.2 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.3 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.4 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.5 1e+005 1e+005 1e+005 71562.43 1e+005 1e+005 1e+005 1e+005
0.6 1e+005 1e+005 35735.60 15903.23 1e+005 1e+005 1e+005 1e+005
0.7 1e+005 1e+005 8666.11 4170.54 1e+005 1e+005 1e+005 1e+005
0.8 1e+005 1e+005 2359.92 1246.88 49964.58 49964.58 33010.17 1e+005
0.9 37154.78 37154.78 700.69 414.20 16753.25 16753.25 11064.86 42902.65
1.0 13645.79 13645.79 220.94 149.84 6149.52 6149.52 4059.50 15756.80
1.1 5410.18 5410.18 71.96 58.05 2436.09 2436.09 1606.95 6247.14
1.2 2289.72 2289.72 23.32 23.73 1029.76 1029.76 678.54 2643.95
1.3 1025.13 1025.13 7.01 10.10 460.24 460.24 302.80 1183.72
1.4 481.90 481.90 1.56 4.40 215.83 215.83 141.70 556.45
1.5 236.37 236.37 -0.15 1.93 105.52 105.52 69.07 272.94
1.6 120.32 120.32 -0.57 0.82 53.47 53.47 34.86 138.94
1.7 63.27 63.27 -0.60 0.32 27.95 27.95 18.12 73.05
1.8 34.22 34.22 -0.60 0.09 15.00 15.00 9.65 39.51
1.9 18.96 18.96 -0.60 -0.01 8.22 8.22 5.24 21.89
2.0 10.72 10.72 -0.60 -0.05 4.58 4.58 2.88 12.38
2.1 6.17 6.17 -0.60 -0.06 2.59 2.59 1.59 7.12
2.2 3.59 3.59 -0.58 -0.06 1.47 1.47 0.88 4.15
2.3 2.11 2.11 -0.48 -0.06 0.83 0.83 0.48 2.44
2.4 1.25 1.25 -0.37 -0.06 0.47 0.47 0.25 1.44
2.5 0.73 0.73 -0.27 -0.06 0.25 0.25 0.12 0.85
2.6 0.43 0.43 -0.20 -0.06 0.13 0.13 0.05 0.49
2.7 0.24 0.24 -0.14 -0.06 0.06 0.06 0.01 0.28
2.8 0.13 0.13 -0.10 -0.06 0.02 0.02 -0.01 0.15
2.9 0.06 0.06 -0.07 -0.05 -0.01 -0.01 -0.02 0.07
3.0 0.02 0.02 -0.05 -0.04 -0.02 -0.02 -0.03 0.03
3.1 -0.00 -0.00 -0.04 -0.04 -0.02 -0.02 -0.03 -0.00
3.2 -0.01 -0.01 -0.03 -0.03 -0.03 -0.03 -0.03 -0.02
3.3 -0.02 -0.02 -0.02 -0.03 -0.03 -0.03 -0.03 -0.03
3.4 -0.02 -0.02 -0.02 -0.02 -0.03 -0.03 -0.03 -0.03
3.5 -0.03 -0.03 -0.01 -0.02 -0.03 -0.03 -0.03 -0.03
3.6 -0.03 -0.03 -0.01 -0.02 -0.03 -0.03 -0.03 -0.03
3.7 -0.03 -0.03 -0.01 -0.01 -0.03 -0.03 -0.03 -0.03
3.8 -0.03 -0.03 -0.01 -0.01 -0.03 -0.03 -0.03 -0.03
3.9 -0.03 -0.03 -0.00 -0.01 -0.03 -0.03 -0.02 -0.03
4.0 -0.03 -0.03 -0.00 -0.01 -0.02 -0.02 -0.02 -0.03
4.1 -0.03 -0.03 -0.00 -0.01 -0.02 -0.02 -0.02 -0.03
4.2 -0.02 -0.02 -0.00 -0.01 -0.02 -0.02 -0.02 -0.03
4.3 -0.02 -0.02 -0.00 -0.01 -0.02 -0.02 -0.02 -0.03
4.4 -0.02 -0.02 -0.00 -0.00 -0.02 -0.02 -0.01 -0.02
4.5 -0.02 -0.02 -0.00 -0.00 -0.01 -0.01 -0.01 -0.02
4.6 -0.02 -0.02 -0.00 -0.00 -0.01 -0.01 -0.01 -0.02
4.7 -0.02 -0.02 -0.00 -0.00 -0.01 -0.01 -0.01 -0.02
4.8 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 -0.01 -0.02
4.9 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 -0.01 -0.01
5.0 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 -0.01 -0.01
136402.3 125.3
E = ----------- - -----------
OA, A 12 6
r r
Calculating energies for OA-A interactions.
136402.3 125.3
E = ----------- - -----------
OA, C 12 6
r r
Calculating energies for OA-C interactions.
6689.7 2223.7
E = ----------- - -----------
OA, HD 12 10
r r
Calculating energies for OA-HD interactions.
1170.4 18.0
E = ----------- - -----------
OA, Mg 12 6
r r
Calculating energies for OA-Mg interactions.
59394.2 84.0
E = ----------- - -----------
OA, N 12 6
r r
Calculating energies for OA-N interactions.
59394.2 84.0
E = ----------- - -----------
OA, NA 12 6
r r
Calculating energies for OA-NA interactions.
38323.1 71.4
E = ----------- - -----------
OA, OA 12 6
r r
Calculating energies for OA-OA interactions.
157503.8 144.7
E = ----------- - -----------
OA, SA 12 6
r r
Calculating energies for OA-SA interactions.
Finding the lowest pairwise interaction energy within 0.5 Angstrom ("smoothing").
r A C HD Mg N NA OA SA
___ ________ ________ ________ ________ ________ ________ ________ ________
0.0 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.1 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.2 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.3 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.4 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.5 1e+005 1e+005 1e+005 36847.84 1e+005 1e+005 1e+005 1e+005
0.6 1e+005 1e+005 35735.60 8180.52 1e+005 1e+005 1e+005 1e+005
0.7 1e+005 1e+005 8666.11 2141.45 1e+005 1e+005 70824.32 1e+005
0.8 75860.38 75860.38 2359.92 638.27 33010.17 33010.17 21286.48 87596.02
0.9 25440.38 25440.38 700.69 210.96 11064.86 11064.86 7132.00 29376.02
1.0 9340.64 9340.64 220.94 75.70 4059.50 4059.50 2614.83 10785.64
1.1 3701.64 3701.64 71.96 28.96 1606.95 1606.95 1034.02 4274.29
1.2 1565.60 1565.60 23.32 11.61 678.54 678.54 435.97 1807.80
1.3 700.28 700.28 7.01 4.79 302.80 302.80 194.14 808.61
1.4 328.77 328.77 1.56 1.98 141.70 141.70 90.58 379.63
1.5 160.97 160.97 -0.15 0.79 69.07 69.07 43.97 185.87
1.6 81.75 81.75 -0.57 0.28 34.86 34.86 22.06 94.39
1.7 42.84 42.84 -0.60 0.06 18.12 18.12 11.38 49.47
1.8 23.07 23.07 -0.60 -0.03 9.65 9.65 6.00 26.64
1.9 12.71 12.71 -0.60 -0.06 5.24 5.24 3.21 14.68
2.0 7.14 7.14 -0.60 -0.07 2.88 2.88 1.73 8.24
2.1 4.06 4.06 -0.60 -0.07 1.59 1.59 0.93 4.69
2.2 2.34 2.34 -0.58 -0.07 0.88 0.88 0.49 2.70
2.3 1.35 1.35 -0.48 -0.07 0.48 0.48 0.25 1.56
2.4 0.78 0.78 -0.37 -0.07 0.25 0.25 0.11 0.90
2.5 0.44 0.44 -0.27 -0.07 0.12 0.12 0.04 0.51
2.6 0.24 0.24 -0.20 -0.07 0.05 0.05 0.00 0.28
2.7 0.12 0.12 -0.14 -0.06 0.01 0.01 -0.02 0.14
2.8 0.05 0.05 -0.10 -0.05 -0.01 -0.01 -0.03 0.06
2.9 0.01 0.01 -0.07 -0.04 -0.02 -0.02 -0.03 0.02
3.0 -0.01 -0.01 -0.05 -0.04 -0.03 -0.03 -0.03 -0.01
3.1 -0.02 -0.02 -0.04 -0.03 -0.03 -0.03 -0.03 -0.02
3.2 -0.03 -0.03 -0.03 -0.02 -0.03 -0.03 -0.03 -0.03
3.3 -0.03 -0.03 -0.02 -0.02 -0.03 -0.03 -0.03 -0.03
3.4 -0.03 -0.03 -0.02 -0.02 -0.03 -0.03 -0.03 -0.03
3.5 -0.03 -0.03 -0.01 -0.01 -0.03 -0.03 -0.03 -0.03
3.6 -0.03 -0.03 -0.01 -0.01 -0.03 -0.03 -0.03 -0.03
3.7 -0.03 -0.03 -0.01 -0.01 -0.03 -0.03 -0.03 -0.03
3.8 -0.03 -0.03 -0.01 -0.01 -0.03 -0.03 -0.03 -0.03
3.9 -0.03 -0.03 -0.00 -0.01 -0.02 -0.02 -0.02 -0.03
4.0 -0.03 -0.03 -0.00 -0.01 -0.02 -0.02 -0.02 -0.03
4.1 -0.03 -0.03 -0.00 -0.01 -0.02 -0.02 -0.02 -0.03
4.2 -0.02 -0.02 -0.00 -0.00 -0.02 -0.02 -0.02 -0.03
4.3 -0.02 -0.02 -0.00 -0.00 -0.02 -0.02 -0.01 -0.02
4.4 -0.02 -0.02 -0.00 -0.00 -0.01 -0.01 -0.01 -0.02
4.5 -0.02 -0.02 -0.00 -0.00 -0.01 -0.01 -0.01 -0.02
4.6 -0.02 -0.02 -0.00 -0.00 -0.01 -0.01 -0.01 -0.02
4.7 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 -0.01 -0.02
4.8 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 -0.01 -0.01
4.9 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 -0.01 -0.01
5.0 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 -0.01 -0.01
EnergyTable:
Finding the lowest pairwise interaction energy within 0.5 Angstrom ("smoothing").
r A C HD Mg N NA OA SA
___ ________ ________ ________ ________ ________ ________ ________ ________
0.0 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.1 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.2 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.3 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.4 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.5 1e+005 1e+005 1e+005 36847.84 1e+005 1e+005 1e+005 1e+005
0.6 1e+005 1e+005 35735.60 8180.52 1e+005 1e+005 1e+005 1e+005
0.7 1e+005 1e+005 8666.11 2141.45 1e+005 1e+005 70824.32 1e+005
0.8 75860.38 75860.38 2359.92 638.27 33010.17 33010.17 21286.48 87596.02
0.9 25440.38 25440.38 700.69 210.96 11064.86 11064.86 7132.00 29376.02
1.0 9340.64 9340.64 220.94 75.70 4059.50 4059.50 2614.83 10785.64
1.1 3701.64 3701.64 71.96 28.96 1606.95 1606.95 1034.02 4274.29
1.2 1565.60 1565.60 23.32 11.61 678.54 678.54 435.97 1807.80
1.3 700.28 700.28 7.01 4.79 302.80 302.80 194.14 808.61
1.4 328.77 328.77 1.56 1.98 141.70 141.70 90.58 379.63
1.5 160.97 160.97 -0.15 0.79 69.07 69.07 43.97 185.87
1.6 81.75 81.75 -0.57 0.28 34.86 34.86 22.06 94.39
1.7 42.84 42.84 -0.60 0.06 18.12 18.12 11.38 49.47
1.8 23.07 23.07 -0.60 -0.03 9.65 9.65 6.00 26.64
1.9 12.71 12.71 -0.60 -0.06 5.24 5.24 3.21 14.68
2.0 7.14 7.14 -0.60 -0.07 2.88 2.88 1.73 8.24
2.1 4.06 4.06 -0.60 -0.07 1.59 1.59 0.93 4.69
2.2 2.34 2.34 -0.58 -0.07 0.88 0.88 0.49 2.70
2.3 1.35 1.35 -0.48 -0.07 0.48 0.48 0.25 1.56
2.4 0.78 0.78 -0.37 -0.07 0.25 0.25 0.11 0.90
2.5 0.44 0.44 -0.27 -0.07 0.12 0.12 0.04 0.51
2.6 0.24 0.24 -0.20 -0.07 0.05 0.05 0.00 0.28
2.7 0.12 0.12 -0.14 -0.06 0.01 0.01 -0.02 0.14
2.8 0.05 0.05 -0.10 -0.05 -0.01 -0.01 -0.03 0.06
2.9 0.01 0.01 -0.07 -0.04 -0.02 -0.02 -0.03 0.02
3.0 -0.01 -0.01 -0.05 -0.04 -0.03 -0.03 -0.03 -0.01
3.1 -0.02 -0.02 -0.04 -0.03 -0.03 -0.03 -0.03 -0.02
3.2 -0.03 -0.03 -0.03 -0.02 -0.03 -0.03 -0.03 -0.03
3.3 -0.03 -0.03 -0.02 -0.02 -0.03 -0.03 -0.03 -0.03
3.4 -0.03 -0.03 -0.02 -0.02 -0.03 -0.03 -0.03 -0.03
3.5 -0.03 -0.03 -0.01 -0.01 -0.03 -0.03 -0.03 -0.03
3.6 -0.03 -0.03 -0.01 -0.01 -0.03 -0.03 -0.03 -0.03
3.7 -0.03 -0.03 -0.01 -0.01 -0.03 -0.03 -0.03 -0.03
3.8 -0.03 -0.03 -0.01 -0.01 -0.03 -0.03 -0.03 -0.03
3.9 -0.03 -0.03 -0.00 -0.01 -0.02 -0.02 -0.02 -0.03
4.0 -0.03 -0.03 -0.00 -0.01 -0.02 -0.02 -0.02 -0.03
4.1 -0.03 -0.03 -0.00 -0.01 -0.02 -0.02 -0.02 -0.03
4.2 -0.02 -0.02 -0.00 -0.00 -0.02 -0.02 -0.02 -0.03
4.3 -0.02 -0.02 -0.00 -0.00 -0.02 -0.02 -0.01 -0.02
4.4 -0.02 -0.02 -0.00 -0.00 -0.01 -0.01 -0.01 -0.02
4.5 -0.02 -0.02 -0.00 -0.00 -0.01 -0.01 -0.01 -0.02
4.6 -0.02 -0.02 -0.00 -0.00 -0.01 -0.01 -0.01 -0.02
4.7 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 -0.01 -0.02
4.8 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 -0.01 -0.01
4.9 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 -0.01 -0.01
5.0 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 -0.01 -0.01
199118.6 143.2
E = ----------- - -----------
N, A 12 6
r r
Calculating energies for N-A interactions.
199118.6 143.2
E = ----------- - -----------
N, C 12 6
r r
Calculating energies for N-C interactions.
1758.7 8.1
E = ----------- - -----------
N, HD 12 6
r r
Calculating energies for N-HD interactions.
2271.1 23.8
E = ----------- - -----------
N, Mg 12 6
r r
Calculating energies for N-Mg interactions.
89860.2 97.8
E = ----------- - -----------
N, N 12 6
r r
Calculating energies for N-N interactions.
89860.2 97.8
E = ----------- - -----------
N, NA 12 6
r r
Calculating energies for N-NA interactions.
59394.2 84.0
E = ----------- - -----------
N, OA 12 6
r r
Calculating energies for N-OA interactions.
229922.4 165.4
E = ----------- - -----------
N, SA 12 6
r r
Calculating energies for N-SA interactions.
Finding the lowest pairwise interaction energy within 0.5 Angstrom ("smoothing").
r A C HD Mg N NA OA SA
___ ________ ________ ________ ________ ________ ________ ________ ________
0.0 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.1 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.2 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.3 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.4 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.5 1e+005 1e+005 55476.06 71562.43 1e+005 1e+005 1e+005 1e+005
0.6 1e+005 1e+005 12342.78 15903.23 1e+005 1e+005 1e+005 1e+005
0.7 1e+005 1e+005 3243.67 4170.54 1e+005 1e+005 1e+005 1e+005
0.8 1e+005 1e+005 973.26 1246.88 49964.58 49964.58 33010.17 1e+005
0.9 37154.78 37154.78 325.20 414.20 16753.25 16753.25 11064.86 42902.65
1.0 13645.79 13645.79 118.73 149.84 6149.52 6149.52 4059.50 15756.80
1.1 5410.18 5410.18 46.65 58.05 2436.09 2436.09 1606.95 6247.14
1.2 2289.72 2289.72 19.49 23.73 1029.76 1029.76 678.54 2643.95
1.3 1025.13 1025.13 8.56 10.10 460.24 460.24 302.80 1183.72
1.4 481.90 481.90 3.92 4.40 215.83 215.83 141.70 556.45
1.5 236.37 236.37 1.85 1.93 105.52 105.52 69.07 272.94
1.6 120.32 120.32 0.89 0.82 53.47 53.47 34.86 138.94
1.7 63.27 63.27 0.43 0.32 27.95 27.95 18.12 73.05
1.8 34.22 34.22 0.21 0.09 15.00 15.00 9.65 39.51
1.9 18.96 18.96 0.10 -0.01 8.22 8.22 5.24 21.89
2.0 10.72 10.72 0.04 -0.05 4.58 4.58 2.88 12.38
2.1 6.17 6.17 0.01 -0.06 2.59 2.59 1.59 7.12
2.2 3.59 3.59 -0.00 -0.06 1.47 1.47 0.88 4.15
2.3 2.11 2.11 -0.01 -0.06 0.83 0.83 0.48 2.44
2.4 1.25 1.25 -0.01 -0.06 0.47 0.47 0.25 1.44
2.5 0.73 0.73 -0.01 -0.06 0.25 0.25 0.12 0.85
2.6 0.43 0.43 -0.01 -0.06 0.13 0.13 0.05 0.49
2.7 0.24 0.24 -0.01 -0.06 0.06 0.06 0.01 0.28
2.8 0.13 0.13 -0.01 -0.06 0.02 0.02 -0.01 0.15
2.9 0.06 0.06 -0.01 -0.05 -0.01 -0.01 -0.02 0.07
3.0 0.02 0.02 -0.01 -0.04 -0.02 -0.02 -0.03 0.03
3.1 -0.00 -0.00 -0.01 -0.04 -0.02 -0.02 -0.03 -0.00
3.2 -0.01 -0.01 -0.01 -0.03 -0.03 -0.03 -0.03 -0.02
3.3 -0.02 -0.02 -0.01 -0.03 -0.03 -0.03 -0.03 -0.03
3.4 -0.02 -0.02 -0.01 -0.02 -0.03 -0.03 -0.03 -0.03
3.5 -0.03 -0.03 -0.01 -0.02 -0.03 -0.03 -0.03 -0.03
3.6 -0.03 -0.03 -0.00 -0.02 -0.03 -0.03 -0.03 -0.03
3.7 -0.03 -0.03 -0.00 -0.01 -0.03 -0.03 -0.03 -0.03
3.8 -0.03 -0.03 -0.00 -0.01 -0.03 -0.03 -0.03 -0.03
3.9 -0.03 -0.03 -0.00 -0.01 -0.03 -0.03 -0.02 -0.03
4.0 -0.03 -0.03 -0.00 -0.01 -0.02 -0.02 -0.02 -0.03
4.1 -0.03 -0.03 -0.00 -0.01 -0.02 -0.02 -0.02 -0.03
4.2 -0.02 -0.02 -0.00 -0.01 -0.02 -0.02 -0.02 -0.03
4.3 -0.02 -0.02 -0.00 -0.01 -0.02 -0.02 -0.02 -0.03
4.4 -0.02 -0.02 -0.00 -0.00 -0.02 -0.02 -0.01 -0.02
4.5 -0.02 -0.02 -0.00 -0.00 -0.01 -0.01 -0.01 -0.02
4.6 -0.02 -0.02 -0.00 -0.00 -0.01 -0.01 -0.01 -0.02
4.7 -0.02 -0.02 -0.00 -0.00 -0.01 -0.01 -0.01 -0.02
4.8 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 -0.01 -0.02
4.9 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 -0.01 -0.01
5.0 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 -0.01 -0.01
EnergyTable:
Finding the lowest pairwise interaction energy within 0.5 Angstrom ("smoothing").
r A C HD Mg N NA OA SA
___ ________ ________ ________ ________ ________ ________ ________ ________
0.0 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.1 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.2 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.3 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.4 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.5 1e+005 1e+005 55476.06 71562.43 1e+005 1e+005 1e+005 1e+005
0.6 1e+005 1e+005 12342.78 15903.23 1e+005 1e+005 1e+005 1e+005
0.7 1e+005 1e+005 3243.67 4170.54 1e+005 1e+005 1e+005 1e+005
0.8 1e+005 1e+005 973.26 1246.88 49964.58 49964.58 33010.17 1e+005
0.9 37154.78 37154.78 325.20 414.20 16753.25 16753.25 11064.86 42902.65
1.0 13645.79 13645.79 118.73 149.84 6149.52 6149.52 4059.50 15756.80
1.1 5410.18 5410.18 46.65 58.05 2436.09 2436.09 1606.95 6247.14
1.2 2289.72 2289.72 19.49 23.73 1029.76 1029.76 678.54 2643.95
1.3 1025.13 1025.13 8.56 10.10 460.24 460.24 302.80 1183.72
1.4 481.90 481.90 3.92 4.40 215.83 215.83 141.70 556.45
1.5 236.37 236.37 1.85 1.93 105.52 105.52 69.07 272.94
1.6 120.32 120.32 0.89 0.82 53.47 53.47 34.86 138.94
1.7 63.27 63.27 0.43 0.32 27.95 27.95 18.12 73.05
1.8 34.22 34.22 0.21 0.09 15.00 15.00 9.65 39.51
1.9 18.96 18.96 0.10 -0.01 8.22 8.22 5.24 21.89
2.0 10.72 10.72 0.04 -0.05 4.58 4.58 2.88 12.38
2.1 6.17 6.17 0.01 -0.06 2.59 2.59 1.59 7.12
2.2 3.59 3.59 -0.00 -0.06 1.47 1.47 0.88 4.15
2.3 2.11 2.11 -0.01 -0.06 0.83 0.83 0.48 2.44
2.4 1.25 1.25 -0.01 -0.06 0.47 0.47 0.25 1.44
2.5 0.73 0.73 -0.01 -0.06 0.25 0.25 0.12 0.85
2.6 0.43 0.43 -0.01 -0.06 0.13 0.13 0.05 0.49
2.7 0.24 0.24 -0.01 -0.06 0.06 0.06 0.01 0.28
2.8 0.13 0.13 -0.01 -0.06 0.02 0.02 -0.01 0.15
2.9 0.06 0.06 -0.01 -0.05 -0.01 -0.01 -0.02 0.07
3.0 0.02 0.02 -0.01 -0.04 -0.02 -0.02 -0.03 0.03
3.1 -0.00 -0.00 -0.01 -0.04 -0.02 -0.02 -0.03 -0.00
3.2 -0.01 -0.01 -0.01 -0.03 -0.03 -0.03 -0.03 -0.02
3.3 -0.02 -0.02 -0.01 -0.03 -0.03 -0.03 -0.03 -0.03
3.4 -0.02 -0.02 -0.01 -0.02 -0.03 -0.03 -0.03 -0.03
3.5 -0.03 -0.03 -0.01 -0.02 -0.03 -0.03 -0.03 -0.03
3.6 -0.03 -0.03 -0.00 -0.02 -0.03 -0.03 -0.03 -0.03
3.7 -0.03 -0.03 -0.00 -0.01 -0.03 -0.03 -0.03 -0.03
3.8 -0.03 -0.03 -0.00 -0.01 -0.03 -0.03 -0.03 -0.03
3.9 -0.03 -0.03 -0.00 -0.01 -0.03 -0.03 -0.02 -0.03
4.0 -0.03 -0.03 -0.00 -0.01 -0.02 -0.02 -0.02 -0.03
4.1 -0.03 -0.03 -0.00 -0.01 -0.02 -0.02 -0.02 -0.03
4.2 -0.02 -0.02 -0.00 -0.01 -0.02 -0.02 -0.02 -0.03
4.3 -0.02 -0.02 -0.00 -0.01 -0.02 -0.02 -0.02 -0.03
4.4 -0.02 -0.02 -0.00 -0.00 -0.02 -0.02 -0.01 -0.02
4.5 -0.02 -0.02 -0.00 -0.00 -0.01 -0.01 -0.01 -0.02
4.6 -0.02 -0.02 -0.00 -0.00 -0.01 -0.01 -0.01 -0.02
4.7 -0.02 -0.02 -0.00 -0.00 -0.01 -0.01 -0.01 -0.02
4.8 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 -0.01 -0.02
4.9 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 -0.01 -0.01
5.0 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 -0.01 -0.01
4837.8 13.3
E = ----------- - -----------
HD, A 12 6
r r
Calculating energies for HD-A interactions.
4837.8 13.3
E = ----------- - -----------
HD, C 12 6
r r
Calculating energies for HD-C interactions.
13.6 0.4
E = ----------- - -----------
HD, HD 12 6
r r
Calculating energies for HD-HD interactions.
9.0 0.9
E = ----------- - -----------
HD, Mg 12 6
r r
Calculating energies for HD-Mg interactions.
1758.7 8.1
E = ----------- - -----------
HD, N 12 6
r r
Calculating energies for HD-N interactions.
6689.7 2223.7
E = ----------- - -----------
HD, NA 12 10
r r
Calculating energies for HD-NA interactions.
6689.7 2223.7
E = ----------- - -----------
HD, OA 12 10
r r
Calculating energies for HD-OA interactions.
36031.0 6918.0
E = ----------- - -----------
HD, SA 12 10
r r
Calculating energies for HD-SA interactions.
Finding the lowest pairwise interaction energy within 0.5 Angstrom ("smoothing").
r A C HD Mg N NA OA SA
___ ________ ________ ________ ________ ________ ________ ________ ________
0.0 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.1 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.2 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.3 1e+005 1e+005 17753.86 11652.31 1e+005 1e+005 1e+005 1e+005
0.4 1e+005 1e+005 2388.01 1562.21 1e+005 1e+005 1e+005 1e+005
0.5 1e+005 1e+005 427.43 277.65 55476.06 1e+005 1e+005 1e+005
0.6 33975.82 33975.82 94.59 60.59 12342.78 35735.60 35735.60 1e+005
0.7 8934.84 8934.84 24.62 15.36 3243.67 8666.11 8666.11 55125.38
0.8 2683.96 2683.96 7.26 4.32 973.26 2359.92 2359.92 15816.39
0.9 898.48 898.48 2.36 1.29 325.20 700.69 700.69 5024.44
1.0 328.97 328.97 0.82 0.38 118.73 220.94 220.94 1733.22
1.1 129.83 129.83 0.30 0.10 46.65 71.96 71.96 639.20
1.2 54.58 54.58 0.11 0.01 19.49 23.32 23.32 248.74
1.3 24.20 24.20 0.04 -0.02 8.56 7.01 7.01 100.94
1.4 11.22 11.22 0.01 -0.02 3.92 1.56 1.56 42.23
1.5 5.40 5.40 0.00 -0.02 1.85 -0.15 -0.15 17.99
1.6 2.68 2.68 -0.00 -0.02 0.89 -0.57 -0.57 7.69
1.7 1.36 1.36 -0.00 -0.02 0.43 -0.60 -0.60 3.22
1.8 0.70 0.70 -0.00 -0.02 0.21 -0.60 -0.60 1.26
1.9 0.36 0.36 -0.00 -0.02 0.10 -0.60 -0.60 0.42
2.0 0.19 0.19 -0.00 -0.02 0.04 -0.60 -0.60 0.06
2.1 0.09 0.09 -0.00 -0.02 0.01 -0.60 -0.60 -0.08
2.2 0.04 0.04 -0.00 -0.01 -0.00 -0.58 -0.58 -0.12
2.3 0.02 0.02 -0.00 -0.01 -0.01 -0.48 -0.48 -0.12
2.4 0.00 0.00 -0.00 -0.01 -0.01 -0.37 -0.37 -0.12
2.5 -0.00 -0.00 -0.00 -0.01 -0.01 -0.27 -0.27 -0.12
2.6 -0.01 -0.01 -0.00 -0.00 -0.01 -0.20 -0.20 -0.12
2.7 -0.01 -0.01 -0.00 -0.00 -0.01 -0.14 -0.14 -0.12
2.8 -0.01 -0.01 -0.00 -0.00 -0.01 -0.10 -0.10 -0.12
2.9 -0.01 -0.01 -0.00 -0.00 -0.01 -0.07 -0.07 -0.10
3.0 -0.01 -0.01 -0.00 -0.00 -0.01 -0.05 -0.05 -0.09
3.1 -0.01 -0.01 -0.00 -0.00 -0.01 -0.04 -0.04 -0.07
3.2 -0.01 -0.01 -0.00 -0.00 -0.01 -0.03 -0.03 -0.06
3.3 -0.01 -0.01 -0.00 -0.00 -0.01 -0.02 -0.02 -0.04
3.4 -0.01 -0.01 -0.00 -0.00 -0.01 -0.02 -0.02 -0.03
3.5 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 -0.01 -0.03
3.6 -0.01 -0.01 -0.00 -0.00 -0.00 -0.01 -0.01 -0.02
3.7 -0.01 -0.01 -0.00 -0.00 -0.00 -0.01 -0.01 -0.02
3.8 -0.01 -0.01 -0.00 -0.00 -0.00 -0.01 -0.01 -0.01
3.9 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01
4.0 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01
4.1 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01
4.2 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00
4.3 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00
4.4 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00
4.5 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00
4.6 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00
4.7 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00
4.8 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00
4.9 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00
5.0 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00
EnergyTable:
Finding the lowest pairwise interaction energy within 0.5 Angstrom ("smoothing").
r A C HD Mg N NA OA SA
___ ________ ________ ________ ________ ________ ________ ________ ________
0.0 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.1 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.2 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005 1e+005
0.3 1e+005 1e+005 17753.86 11652.31 1e+005 1e+005 1e+005 1e+005
0.4 1e+005 1e+005 2388.01 1562.21 1e+005 1e+005 1e+005 1e+005
0.5 1e+005 1e+005 427.43 277.65 55476.06 1e+005 1e+005 1e+005
0.6 33975.82 33975.82 94.59 60.59 12342.78 35735.60 35735.60 1e+005
0.7 8934.84 8934.84 24.62 15.36 3243.67 8666.11 8666.11 55125.38
0.8 2683.96 2683.96 7.26 4.32 973.26 2359.92 2359.92 15816.39
0.9 898.48 898.48 2.36 1.29 325.20 700.69 700.69 5024.44
1.0 328.97 328.97 0.82 0.38 118.73 220.94 220.94 1733.22
1.1 129.83 129.83 0.30 0.10 46.65 71.96 71.96 639.20
1.2 54.58 54.58 0.11 0.01 19.49 23.32 23.32 248.74
1.3 24.20 24.20 0.04 -0.02 8.56 7.01 7.01 100.94
1.4 11.22 11.22 0.01 -0.02 3.92 1.56 1.56 42.23
1.5 5.40 5.40 0.00 -0.02 1.85 -0.15 -0.15 17.99
1.6 2.68 2.68 -0.00 -0.02 0.89 -0.57 -0.57 7.69
1.7 1.36 1.36 -0.00 -0.02 0.43 -0.60 -0.60 3.22
1.8 0.70 0.70 -0.00 -0.02 0.21 -0.60 -0.60 1.26
1.9 0.36 0.36 -0.00 -0.02 0.10 -0.60 -0.60 0.42
2.0 0.19 0.19 -0.00 -0.02 0.04 -0.60 -0.60 0.06
2.1 0.09 0.09 -0.00 -0.02 0.01 -0.60 -0.60 -0.08
2.2 0.04 0.04 -0.00 -0.01 -0.00 -0.58 -0.58 -0.12
2.3 0.02 0.02 -0.00 -0.01 -0.01 -0.48 -0.48 -0.12
2.4 0.00 0.00 -0.00 -0.01 -0.01 -0.37 -0.37 -0.12
2.5 -0.00 -0.00 -0.00 -0.01 -0.01 -0.27 -0.27 -0.12
2.6 -0.01 -0.01 -0.00 -0.00 -0.01 -0.20 -0.20 -0.12
2.7 -0.01 -0.01 -0.00 -0.00 -0.01 -0.14 -0.14 -0.12
2.8 -0.01 -0.01 -0.00 -0.00 -0.01 -0.10 -0.10 -0.12
2.9 -0.01 -0.01 -0.00 -0.00 -0.01 -0.07 -0.07 -0.10
3.0 -0.01 -0.01 -0.00 -0.00 -0.01 -0.05 -0.05 -0.09
3.1 -0.01 -0.01 -0.00 -0.00 -0.01 -0.04 -0.04 -0.07
3.2 -0.01 -0.01 -0.00 -0.00 -0.01 -0.03 -0.03 -0.06
3.3 -0.01 -0.01 -0.00 -0.00 -0.01 -0.02 -0.02 -0.04
3.4 -0.01 -0.01 -0.00 -0.00 -0.01 -0.02 -0.02 -0.03
3.5 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 -0.01 -0.03
3.6 -0.01 -0.01 -0.00 -0.00 -0.00 -0.01 -0.01 -0.02
3.7 -0.01 -0.01 -0.00 -0.00 -0.00 -0.01 -0.01 -0.02
3.8 -0.01 -0.01 -0.00 -0.00 -0.00 -0.01 -0.01 -0.01
3.9 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01
4.0 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01
4.1 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01
4.2 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00
4.3 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00
4.4 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00
4.5 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00
4.6 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00
4.7 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00
4.8 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00
4.9 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00
5.0 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00
C:/Docking/autogrid4.exe: WARNING: Found an H-bonding atom with three bonded atoms, atom serial number 17
C:/Docking/autogrid4.exe: WARNING: Found an H-bonding atom with three bonded atoms, atom serial number 18
C:/Docking/autogrid4.exe: WARNING: Found an H-bonding atom with three bonded atoms, atom serial number 272
C:/Docking/autogrid4.exe: WARNING: Found an H-bonding atom with three bonded atoms, atom serial number 273
C:/Docking/autogrid4.exe: WARNING: Found an H-bonding atom with three bonded atoms, atom serial number 290
C:/Docking/autogrid4.exe: WARNING: Found an H-bonding atom with three bonded atoms, atom serial number 291
C:/Docking/autogrid4.exe: WARNING: Found an H-bonding atom with three bonded atoms, atom serial number 296
C:/Docking/autogrid4.exe: WARNING: Found an H-bonding atom with three bonded atoms, atom serial number 297
C:/Docking/autogrid4.exe: WARNING: Found an H-bonding atom with three bonded atoms, atom serial number 297
C:/Docking/autogrid4.exe: WARNING: Found an H-bonding atom with three bonded atoms, atom serial number 312
C:/Docking/autogrid4.exe: WARNING: Found an H-bonding atom with three bonded atoms, atom serial number 313
C:/Docking/autogrid4.exe: WARNING: Found an H-bonding atom with three bonded atoms, atom serial number 318
C:/Docking/autogrid4.exe: WARNING: Found an H-bonding atom with three bonded atoms, atom serial number 319
C:/Docking/autogrid4.exe: WARNING: Found an H-bonding atom with three bonded atoms, atom serial number 1321
C:/Docking/autogrid4.exe: WARNING: Found an H-bonding atom with three bonded atoms, atom serial number 1322
Beginning grid calculations.
Calculating 9 grids over 1386945 elements, around 3430 receptor atoms.
Percent Estimated Time Time/this plane
XY-plane Z-coord Done Remaining Real, User, System
/Ang /sec /sec
________ ________ ________ ______________ __________________________
-52 -85.899 1.0% 1m 49.82s Real= 1.06, CPU= 1.03, System= 0.02
-51 -85.330 1.9% 1m 47.94s Real= 1.05, CPU= 1.03, System= 0.00
-50 -84.760 2.9% 1m 45.16s Real= 1.03, CPU= 1.03, System= 0.00
-49 -84.191 3.8% 1m 44.94s Real= 1.04, CPU= 1.03, System= 0.00
-48 -83.621 4.8% 2m 48.20s Real= 1.68, CPU= 1.06, System= 0.00
-47 -83.052 5.7% 2m 02.36s Real= 1.24, CPU= 1.14, System= 0.00
-46 -82.483 6.7% 2m 00.64s Real= 1.23, CPU= 1.17, System= 0.01
-45 -81.913 7.6% 1m 52.71s Real= 1.16, CPU= 1.09, System= 0.00
-44 -81.344 8.6% 1m 48.48s Real= 1.13, CPU= 1.08, System= 0.02
-43 -80.774 9.5% 1m 44.97s Real= 1.11, CPU= 1.08, System= 0.00
-42 -80.205 10.5% 1m 39.64s Real= 1.06, CPU= 1.05, System= 0.00
-41 -79.635 11.4% 1m 39.88s Real= 1.07, CPU= 1.06, System= 0.00
-40 -79.066 12.4% 1m 45.43s Real= 1.15, CPU= 1.09, System= 0.00
-39 -78.496 13.3% 1m 47.47s Real= 1.18, CPU= 1.11, System= 0.00
-38 -77.927 14.3% 1m 41.79s Real= 1.13, CPU= 1.13, System= 0.00
-37 -77.358 15.2% 1m 42.35s Real= 1.15, CPU= 1.13, System= 0.00
-36 -76.788 16.2% 1m 35.30s Real= 1.08, CPU= 1.08, System= 0.00
-35 -76.219 17.1% 1m 40.14s Real= 1.15, CPU= 1.11, System= 0.02
-34 -75.649 18.1% 1m 38.81s Real= 1.15, CPU= 1.14, System= 0.00
-33 -75.080 19.0% 1m 41.40s Real= 1.19, CPU= 1.13, System= 0.01
-32 -74.510 20.0% 1m 35.93s Real= 1.14, CPU= 1.09, System= 0.02
-31 -73.941 21.0% 1m 38.11s Real= 1.18, CPU= 1.16, System= 0.00
-30 -73.371 21.9% 1m 34.14s Real= 1.15, CPU= 1.14, System= 0.00
-29 -72.802 22.9% 1m 35.74s Real= 1.18, CPU= 1.13, System= 0.01
-28 -72.233 23.8% 1m 33.04s Real= 1.16, CPU= 1.13, System= 0.00
-27 -71.663 24.8% 1m 33.06s Real= 1.18, CPU= 1.14, System= 0.02
-26 -71.094 25.7% 1m 35.86s Real= 1.23, CPU= 1.16, System= 0.00
-25 -70.524 26.7% 1m 31.09s Real= 1.18, CPU= 1.11, System= 0.00
-24 -69.955 27.6% 1m 29.38s Real= 1.18, CPU= 1.14, System= 0.02
-23 -69.385 28.6% 1m 29.47s Real= 1.19, CPU= 1.14, System= 0.01
-22 -68.816 29.5% 1m 28.21s Real= 1.19, CPU= 1.11, System= 0.03
-21 -68.246 30.5% 1m 27.82s Real= 1.20, CPU= 1.16, System= 0.00
-20 -67.677 31.4% 1m 24.53s Real= 1.17, CPU= 1.16, System= 0.00
-19 -67.108 32.4% 1m 23.71s Real= 1.18, CPU= 1.17, System= 0.00
-18 -66.538 33.3% 1m 23.72s Real= 1.20, CPU= 1.16, System= 0.00
-17 -65.969 34.3% 1m 21.56s Real= 1.18, CPU= 1.17, System= 0.00
-16 -65.399 35.2% 1m 20.31s Real= 1.18, CPU= 1.13, System= 0.00
-15 -64.830 36.2% 1m 19.33s Real= 1.18, CPU= 1.16, System= 0.01
-14 -64.260 37.1% 1m 19.33s Real= 1.20, CPU= 1.14, System= 0.02
-13 -63.691 38.1% 1m 22.10s Real= 1.26, CPU= 1.23, System= 0.00
-12 -63.121 39.0% 1m 16.03s Real= 1.19, CPU= 1.16, System= 0.01
-11 -62.552 40.0% 1m 15.85s Real= 1.20, CPU= 1.19, System= 0.00
-10 -61.983 41.0% 1m 14.03s Real= 1.19, CPU= 1.14, System= 0.00
-9 -61.413 41.9% 1m 12.89s Real= 1.20, CPU= 1.19, System= 0.00
-8 -60.844 42.9% 1m 12.30s Real= 1.21, CPU= 1.19, System= 0.00
-7 -60.274 43.8% 1m 12.51s Real= 1.23, CPU= 1.20, System= 0.00
-6 -59.705 44.8% 1m 09.60s Real= 1.20, CPU= 1.17, System= 0.02
-5 -59.135 45.7% 1m 12.28s Real= 1.27, CPU= 1.24, System= 0.00
-4 -58.566 46.7% 1m 07.54s Real= 1.21, CPU= 1.16, System= 0.02
-3 -57.996 47.6% 1m 05.94s Real= 1.20, CPU= 1.14, System= 0.01
-2 -57.427 48.6% 1m 06.64s Real= 1.23, CPU= 1.17, System= 0.02
-1 -56.858 49.5% 1m 07.10s Real= 1.27, CPU= 1.25, System= 0.02
0 -56.288 50.5% 1m 05.26s Real= 1.26, CPU= 1.22, System= 0.00
1 -55.719 51.4% 1m 05.28s Real= 1.28, CPU= 1.24, System= 0.00
2 -55.149 52.4% 1m 04.40s Real= 1.29, CPU= 1.25, System= 0.00
3 -54.580 53.3% 58.51s Real= 1.19, CPU= 1.17, System= 0.00
4 -54.010 54.3% 58.46s Real= 1.22, CPU= 1.17, System= 0.01
5 -53.441 55.2% 1m 00.30s Real= 1.28, CPU= 1.24, System= 0.00
6 -52.871 56.2% 1m 00.49s Real= 1.31, CPU= 1.22, System= 0.02
7 -52.302 57.1% 56.38s Real= 1.25, CPU= 1.19, System= 0.00
8 -51.733 58.1% 53.33s Real= 1.21, CPU= 1.16, System= 0.05
9 -51.163 59.0% 53.06s Real= 1.23, CPU= 1.22, System= 0.00
10 -50.594 60.0% 53.21s Real= 1.27, CPU= 1.20, System= 0.00
11 -50.024 61.0% 48.91s Real= 1.19, CPU= 1.19, System= 0.00
12 -49.455 61.9% 47.88s Real= 1.20, CPU= 1.16, System= 0.00
13 -48.885 62.9% 47.03s Real= 1.21, CPU= 1.16, System= 0.03
14 -48.316 63.8% 45.49s Real= 1.20, CPU= 1.19, System= 0.00
15 -47.746 64.8% 44.40s Real= 1.20, CPU= 1.17, System= 0.00
16 -47.177 65.7% 43.20s Real= 1.20, CPU= 1.14, System= 0.03
17 -46.608 66.7% 41.62s Real= 1.19, CPU= 1.16, System= 0.02
18 -46.038 67.6% 40.90s Real= 1.20, CPU= 1.16, System= 0.01
19 -45.469 68.6% 39.10s Real= 1.19, CPU= 1.17, System= 0.00
20 -44.899 69.5% 38.14s Real= 1.19, CPU= 1.17, System= 0.02
21 -44.330 70.5% 38.63s Real= 1.25, CPU= 1.17, System= 0.02
22 -43.760 71.4% 35.73s Real= 1.19, CPU= 1.16, System= 0.01
23 -43.191 72.4% 34.37s Real= 1.19, CPU= 1.17, System= 0.00
24 -42.621 73.3% 33.29s Real= 1.19, CPU= 1.19, System= 0.00
25 -42.052 74.3% 31.86s Real= 1.18, CPU= 1.17, System= 0.00
26 -41.483 75.2% 30.89s Real= 1.19, CPU= 1.17, System= 0.00
27 -40.913 76.2% 29.45s Real= 1.18, CPU= 1.16, System= 0.00
28 -40.344 77.1% 28.34s Real= 1.18, CPU= 1.16, System= 0.02
29 -39.774 78.1% 27.14s Real= 1.18, CPU= 1.16, System= 0.00
30 -39.205 79.0% 26.18s Real= 1.19, CPU= 1.14, System= 0.02
31 -38.635 80.0% 24.67s Real= 1.18, CPU= 1.17, System= 0.01
32 -38.066 81.0% 23.48s Real= 1.17, CPU= 1.14, System= 0.00
33 -37.496 81.9% 22.29s Real= 1.17, CPU= 1.13, System= 0.00
34 -36.927 82.9% 21.10s Real= 1.17, CPU= 1.17, System= 0.00
35 -36.358 83.8% 19.89s Real= 1.17, CPU= 1.13, System= 0.00
36 -35.788 84.8% 19.62s Real= 1.23, CPU= 1.16, System= 0.00
37 -35.219 85.7% 18.76s Real= 1.25, CPU= 1.19, System= 0.00
38 -34.649 86.7% 16.23s Real= 1.16, CPU= 1.14, System= 0.02
39 -34.080 87.6% 15.73s Real= 1.21, CPU= 1.17, System= 0.01
40 -33.510 88.6% 13.80s Real= 1.15, CPU= 1.09, System= 0.02
41 -32.941 89.5% 12.73s Real= 1.16, CPU= 1.16, System= 0.00
42 -32.371 90.5% 11.41s Real= 1.14, CPU= 1.13, System= 0.00
43 -31.802 91.4% 9.98s Real= 1.11, CPU= 1.09, System= 0.02
44 -31.233 92.4% 9.50s Real= 1.19, CPU= 1.13, System= 0.00
45 -30.663 93.3% 7.98s Real= 1.14, CPU= 1.08, System= 0.03
46 -30.094 94.3% 6.59s Real= 1.10, CPU= 1.08, System= 0.02
47 -29.524 95.2% 5.81s Real= 1.16, CPU= 1.08, System= 0.01
48 -28.955 96.2% 4.36s Real= 1.09, CPU= 1.08, System= 0.00
49 -28.385 97.1% 3.16s Real= 1.05, CPU= 1.05, System= 0.00
50 -27.816 98.1% 2.11s Real= 1.05, CPU= 1.06, System= 0.00
51 -27.246 99.0% 1.04s Real= 1.04, CPU= 1.03, System= 0.00
52 -26.677 100.0% 0.00s Real= 1.04, CPU= 1.03, System= 0.00
Grid Atom Minimum Maximum
Map Type Energy Energy
(kcal/mol) (kcal/mol)
____ ____ _____________ _____________
1 A -0.89 4.00e+005
2 C -0.99 4.00e+005
3 F -0.68 4.00e+005
4 NA -1.60 4.00e+005
5 OA -2.04 4.00e+005
6 N -1.07 4.00e+005
7 HD -0.74 2.00e+005
8 e -36.23 4.80e+001 Electrostatic Potential
9 d 0.00 1.75e+000 Desolvation Potential
* Note: Every pairwise-atomic interaction was clamped at 100000.00
C:/Docking/autogrid4.exe: Successful Completion.
Real= 2m 04.89s, CPU= 1m 59.95s, System= 0.75s