notebook.community

Edit and run 





In [1]:



    


from simtk.openmm.app import *
from simtk.openmm import *
from simtk.unit import *
from sys import stdout



    











In [2]:



    


forcefield = ForceField('amber99sb.xml', 'amber99_obc.xml')
pdb = PDBFile("/Users/weilu/Research/server/dec_2019/Test_Openmm_Implicit/6gk3_pqr_chainA.pdb")
modeller = Modeller(pdb.topology, pdb.positions)
modeller.addHydrogens(pH=7.0)



    


















    
Out[2]:








[None,
 None,
 None,
 None,
 None,
 None,
 None,
 None,
 None,
 'HID',
 None,
 None,
 None,
 None,
 None,
 None,
 None,
 None,
 None,
 None,
 None,
 None,
 None,
 None,
 None,
 None,
 None,
 None,
 None,
 'HID',
 None,
 None,
 None,
 None,
 None,
 None,
 None,
 None,
 None,
 None,
 None,
 None,
 None,
 None,
 None,
 None,
 None,
 None,
 None,
 None,
 None,
 None,
 None,
 None,
 None,
 None,
 None,
 None,
 None,
 None,
 None,
 None,
 'HID',
 None]

















In [3]:



    


system = forcefield.createSystem(modeller.topology, nonbondedMethod=NoCutoff,implicitSolvent=GBn2,constraints=HBonds)



    











In [5]:



    


a = modeller.topology



    











In [40]:



    


a.getNumResidues()



    


















    
Out[40]:








64

















In [6]:



    


a.getNumAtoms()



    


















    
Out[6]:








1040

















In [7]:



    


a.getNumResidues()



    


















    
Out[7]:








64

















In [17]:



    


b = list(a.atoms())



    











In [32]:



    


c = b[1]



    











In [28]:



    


c.id



    


















    
Out[28]:








'5'

















In [35]:



    


modeller.topology.getNumAtoms()



    


















    
Out[35]:








1040

















In [37]:



    


ca_list = []
for atom in modeller.topology.atoms():
    if atom.name == "CA":
        ca_list.append(atom.index)
    # print(atom.index, atom.name)



    











In [38]:



    






    


















    
Out[38]:








[1,
 23,
 42,
 56,
 67,
 88,
 104,
 115,
 122,
 142,
 159,
 173,
 184,
 196,
 215,
 230,
 246,
 258,
 277,
 296,
 318,
 332,
 339,
 354,
 378,
 397,
 412,
 434,
 450,
 465,
 482,
 493,
 505,
 524,
 535,
 555,
 566,
 588,
 600,
 624,
 635,
 655,
 676,
 695,
 714,
 735,
 756,
 770,
 785,
 805,
 819,
 833,
 847,
 862,
 884,
 896,
 911,
 932,
 942,
 953,
 977,
 993,
 1007,
 1024]

















In [25]:



    


c.element



    


















    
Out[25]:








<Element carbon>

















In [33]:



    


c.name



    


















    
Out[33]:








'CA'

















In [31]:



    


b



    


















    
Out[31]:








[<Atom 0 (N) of chain 0 residue 0 (PHE)>,
 <Atom 1 (CA) of chain 0 residue 0 (PHE)>,
 <Atom 2 (C) of chain 0 residue 0 (PHE)>,
 <Atom 3 (O) of chain 0 residue 0 (PHE)>,
 <Atom 4 (H) of chain 0 residue 0 (PHE)>,
 <Atom 5 (H2) of chain 0 residue 0 (PHE)>,
 <Atom 6 (H3) of chain 0 residue 0 (PHE)>,
 <Atom 7 (CB) of chain 0 residue 0 (PHE)>,
 <Atom 8 (CG) of chain 0 residue 0 (PHE)>,
 <Atom 9 (CZ) of chain 0 residue 0 (PHE)>,
 <Atom 10 (CD1) of chain 0 residue 0 (PHE)>,
 <Atom 11 (CE1) of chain 0 residue 0 (PHE)>,
 <Atom 12 (CD2) of chain 0 residue 0 (PHE)>,
 <Atom 13 (CE2) of chain 0 residue 0 (PHE)>,
 <Atom 14 (HZ) of chain 0 residue 0 (PHE)>,
 <Atom 15 (HA) of chain 0 residue 0 (PHE)>,
 <Atom 16 (HE1) of chain 0 residue 0 (PHE)>,
 <Atom 17 (HE2) of chain 0 residue 0 (PHE)>,
 <Atom 18 (HD2) of chain 0 residue 0 (PHE)>,
 <Atom 19 (HD1) of chain 0 residue 0 (PHE)>,
 <Atom 20 (HB3) of chain 0 residue 0 (PHE)>,
 <Atom 21 (HB2) of chain 0 residue 0 (PHE)>,
 <Atom 22 (N) of chain 0 residue 1 (LEU)>,
 <Atom 23 (CA) of chain 0 residue 1 (LEU)>,
 <Atom 24 (C) of chain 0 residue 1 (LEU)>,
 <Atom 25 (O) of chain 0 residue 1 (LEU)>,
 <Atom 26 (H) of chain 0 residue 1 (LEU)>,
 <Atom 27 (CB) of chain 0 residue 1 (LEU)>,
 <Atom 28 (CG) of chain 0 residue 1 (LEU)>,
 <Atom 29 (CD1) of chain 0 residue 1 (LEU)>,
 <Atom 30 (CD2) of chain 0 residue 1 (LEU)>,
 <Atom 31 (HD22) of chain 0 residue 1 (LEU)>,
 <Atom 32 (HD23) of chain 0 residue 1 (LEU)>,
 <Atom 33 (HD21) of chain 0 residue 1 (LEU)>,
 <Atom 34 (HD13) of chain 0 residue 1 (LEU)>,
 <Atom 35 (HD12) of chain 0 residue 1 (LEU)>,
 <Atom 36 (HD11) of chain 0 residue 1 (LEU)>,
 <Atom 37 (HA) of chain 0 residue 1 (LEU)>,
 <Atom 38 (HG) of chain 0 residue 1 (LEU)>,
 <Atom 39 (HB3) of chain 0 residue 1 (LEU)>,
 <Atom 40 (HB2) of chain 0 residue 1 (LEU)>,
 <Atom 41 (N) of chain 0 residue 2 (ASN)>,
 <Atom 42 (CA) of chain 0 residue 2 (ASN)>,
 <Atom 43 (C) of chain 0 residue 2 (ASN)>,
 <Atom 44 (O) of chain 0 residue 2 (ASN)>,
 <Atom 45 (H) of chain 0 residue 2 (ASN)>,
 <Atom 46 (CB) of chain 0 residue 2 (ASN)>,
 <Atom 47 (CG) of chain 0 residue 2 (ASN)>,
 <Atom 48 (HA) of chain 0 residue 2 (ASN)>,
 <Atom 49 (HB3) of chain 0 residue 2 (ASN)>,
 <Atom 50 (HB2) of chain 0 residue 2 (ASN)>,
 <Atom 51 (OD1) of chain 0 residue 2 (ASN)>,
 <Atom 52 (ND2) of chain 0 residue 2 (ASN)>,
 <Atom 53 (HD22) of chain 0 residue 2 (ASN)>,
 <Atom 54 (HD21) of chain 0 residue 2 (ASN)>,
 <Atom 55 (N) of chain 0 residue 3 (CYS)>,
 <Atom 56 (CA) of chain 0 residue 3 (CYS)>,
 <Atom 57 (C) of chain 0 residue 3 (CYS)>,
 <Atom 58 (O) of chain 0 residue 3 (CYS)>,
 <Atom 59 (H) of chain 0 residue 3 (CYS)>,
 <Atom 60 (CB) of chain 0 residue 3 (CYS)>,
 <Atom 61 (SG) of chain 0 residue 3 (CYS)>,
 <Atom 62 (HA) of chain 0 residue 3 (CYS)>,
 <Atom 63 (HB3) of chain 0 residue 3 (CYS)>,
 <Atom 64 (HB2) of chain 0 residue 3 (CYS)>,
 <Atom 65 (HG) of chain 0 residue 3 (CYS)>,
 <Atom 66 (N) of chain 0 residue 4 (TYR)>,
 <Atom 67 (CA) of chain 0 residue 4 (TYR)>,
 <Atom 68 (C) of chain 0 residue 4 (TYR)>,
 <Atom 69 (O) of chain 0 residue 4 (TYR)>,
 <Atom 70 (H) of chain 0 residue 4 (TYR)>,
 <Atom 71 (CB) of chain 0 residue 4 (TYR)>,
 <Atom 72 (CG) of chain 0 residue 4 (TYR)>,
 <Atom 73 (OH) of chain 0 residue 4 (TYR)>,
 <Atom 74 (CZ) of chain 0 residue 4 (TYR)>,
 <Atom 75 (CD1) of chain 0 residue 4 (TYR)>,
 <Atom 76 (CE1) of chain 0 residue 4 (TYR)>,
 <Atom 77 (CD2) of chain 0 residue 4 (TYR)>,
 <Atom 78 (CE2) of chain 0 residue 4 (TYR)>,
 <Atom 79 (HA) of chain 0 residue 4 (TYR)>,
 <Atom 80 (HE1) of chain 0 residue 4 (TYR)>,
 <Atom 81 (HE2) of chain 0 residue 4 (TYR)>,
 <Atom 82 (HD2) of chain 0 residue 4 (TYR)>,
 <Atom 83 (HD1) of chain 0 residue 4 (TYR)>,
 <Atom 84 (HB3) of chain 0 residue 4 (TYR)>,
 <Atom 85 (HB2) of chain 0 residue 4 (TYR)>,
 <Atom 86 (HH) of chain 0 residue 4 (TYR)>,
 <Atom 87 (N) of chain 0 residue 5 (VAL)>,
 <Atom 88 (CA) of chain 0 residue 5 (VAL)>,
 <Atom 89 (C) of chain 0 residue 5 (VAL)>,
 <Atom 90 (O) of chain 0 residue 5 (VAL)>,
 <Atom 91 (H) of chain 0 residue 5 (VAL)>,
 <Atom 92 (CB) of chain 0 residue 5 (VAL)>,
 <Atom 93 (CG1) of chain 0 residue 5 (VAL)>,
 <Atom 94 (CG2) of chain 0 residue 5 (VAL)>,
 <Atom 95 (HA) of chain 0 residue 5 (VAL)>,
 <Atom 96 (HG11) of chain 0 residue 5 (VAL)>,
 <Atom 97 (HG21) of chain 0 residue 5 (VAL)>,
 <Atom 98 (HB) of chain 0 residue 5 (VAL)>,
 <Atom 99 (HG12) of chain 0 residue 5 (VAL)>,
 <Atom 100 (HG13) of chain 0 residue 5 (VAL)>,
 <Atom 101 (HG23) of chain 0 residue 5 (VAL)>,
 <Atom 102 (HG22) of chain 0 residue 5 (VAL)>,
 <Atom 103 (N) of chain 0 residue 6 (SER)>,
 <Atom 104 (CA) of chain 0 residue 6 (SER)>,
 <Atom 105 (C) of chain 0 residue 6 (SER)>,
 <Atom 106 (O) of chain 0 residue 6 (SER)>,
 <Atom 107 (H) of chain 0 residue 6 (SER)>,
 <Atom 108 (CB) of chain 0 residue 6 (SER)>,
 <Atom 109 (OG) of chain 0 residue 6 (SER)>,
 <Atom 110 (HA) of chain 0 residue 6 (SER)>,
 <Atom 111 (HB3) of chain 0 residue 6 (SER)>,
 <Atom 112 (HB2) of chain 0 residue 6 (SER)>,
 <Atom 113 (HG) of chain 0 residue 6 (SER)>,
 <Atom 114 (N) of chain 0 residue 7 (GLY)>,
 <Atom 115 (CA) of chain 0 residue 7 (GLY)>,
 <Atom 116 (C) of chain 0 residue 7 (GLY)>,
 <Atom 117 (O) of chain 0 residue 7 (GLY)>,
 <Atom 118 (H) of chain 0 residue 7 (GLY)>,
 <Atom 119 (HA2) of chain 0 residue 7 (GLY)>,
 <Atom 120 (HA3) of chain 0 residue 7 (GLY)>,
 <Atom 121 (N) of chain 0 residue 8 (PHE)>,
 <Atom 122 (CA) of chain 0 residue 8 (PHE)>,
 <Atom 123 (C) of chain 0 residue 8 (PHE)>,
 <Atom 124 (O) of chain 0 residue 8 (PHE)>,
 <Atom 125 (H) of chain 0 residue 8 (PHE)>,
 <Atom 126 (CB) of chain 0 residue 8 (PHE)>,
 <Atom 127 (CG) of chain 0 residue 8 (PHE)>,
 <Atom 128 (CZ) of chain 0 residue 8 (PHE)>,
 <Atom 129 (CD1) of chain 0 residue 8 (PHE)>,
 <Atom 130 (CE1) of chain 0 residue 8 (PHE)>,
 <Atom 131 (CD2) of chain 0 residue 8 (PHE)>,
 <Atom 132 (CE2) of chain 0 residue 8 (PHE)>,
 <Atom 133 (HZ) of chain 0 residue 8 (PHE)>,
 <Atom 134 (HA) of chain 0 residue 8 (PHE)>,
 <Atom 135 (HE1) of chain 0 residue 8 (PHE)>,
 <Atom 136 (HE2) of chain 0 residue 8 (PHE)>,
 <Atom 137 (HD2) of chain 0 residue 8 (PHE)>,
 <Atom 138 (HD1) of chain 0 residue 8 (PHE)>,
 <Atom 139 (HB3) of chain 0 residue 8 (PHE)>,
 <Atom 140 (HB2) of chain 0 residue 8 (PHE)>,
 <Atom 141 (N) of chain 0 residue 9 (HIS)>,
 <Atom 142 (CA) of chain 0 residue 9 (HIS)>,
 <Atom 143 (C) of chain 0 residue 9 (HIS)>,
 <Atom 144 (O) of chain 0 residue 9 (HIS)>,
 <Atom 145 (H) of chain 0 residue 9 (HIS)>,
 <Atom 146 (CB) of chain 0 residue 9 (HIS)>,
 <Atom 147 (CG) of chain 0 residue 9 (HIS)>,
 <Atom 148 (HA) of chain 0 residue 9 (HIS)>,
 <Atom 149 (HB3) of chain 0 residue 9 (HIS)>,
 <Atom 150 (HB2) of chain 0 residue 9 (HIS)>,
 <Atom 151 (HD1) of chain 0 residue 9 (HIS)>,
 <Atom 152 (HE1) of chain 0 residue 9 (HIS)>,
 <Atom 153 (CE1) of chain 0 residue 9 (HIS)>,
 <Atom 154 (CD2) of chain 0 residue 9 (HIS)>,
 <Atom 155 (ND1) of chain 0 residue 9 (HIS)>,
 <Atom 156 (NE2) of chain 0 residue 9 (HIS)>,
 <Atom 157 (HD2) of chain 0 residue 9 (HIS)>,
 <Atom 158 (N) of chain 0 residue 10 (PRO)>,
 <Atom 159 (CA) of chain 0 residue 10 (PRO)>,
 <Atom 160 (C) of chain 0 residue 10 (PRO)>,
 <Atom 161 (O) of chain 0 residue 10 (PRO)>,
 <Atom 162 (CB) of chain 0 residue 10 (PRO)>,
 <Atom 163 (CD) of chain 0 residue 10 (PRO)>,
 <Atom 164 (CG) of chain 0 residue 10 (PRO)>,
 <Atom 165 (HG2) of chain 0 residue 10 (PRO)>,
 <Atom 166 (HA) of chain 0 residue 10 (PRO)>,
 <Atom 167 (HD3) of chain 0 residue 10 (PRO)>,
 <Atom 168 (HD2) of chain 0 residue 10 (PRO)>,
 <Atom 169 (HG3) of chain 0 residue 10 (PRO)>,
 <Atom 170 (HB3) of chain 0 residue 10 (PRO)>,
 <Atom 171 (HB2) of chain 0 residue 10 (PRO)>,
 <Atom 172 (N) of chain 0 residue 11 (SER)>,
 <Atom 173 (CA) of chain 0 residue 11 (SER)>,
 <Atom 174 (C) of chain 0 residue 11 (SER)>,
 <Atom 175 (O) of chain 0 residue 11 (SER)>,
 <Atom 176 (H) of chain 0 residue 11 (SER)>,
 <Atom 177 (CB) of chain 0 residue 11 (SER)>,
 <Atom 178 (OG) of chain 0 residue 11 (SER)>,
 <Atom 179 (HA) of chain 0 residue 11 (SER)>,
 <Atom 180 (HB3) of chain 0 residue 11 (SER)>,
 <Atom 181 (HB2) of chain 0 residue 11 (SER)>,
 <Atom 182 (HG) of chain 0 residue 11 (SER)>,
 <Atom 183 (N) of chain 0 residue 12 (ASP)>,
 <Atom 184 (CA) of chain 0 residue 12 (ASP)>,
 <Atom 185 (C) of chain 0 residue 12 (ASP)>,
 <Atom 186 (O) of chain 0 residue 12 (ASP)>,
 <Atom 187 (H) of chain 0 residue 12 (ASP)>,
 <Atom 188 (CB) of chain 0 residue 12 (ASP)>,
 <Atom 189 (CG) of chain 0 residue 12 (ASP)>,
 <Atom 190 (OD1) of chain 0 residue 12 (ASP)>,
 <Atom 191 (OD2) of chain 0 residue 12 (ASP)>,
 <Atom 192 (HA) of chain 0 residue 12 (ASP)>,
 <Atom 193 (HB3) of chain 0 residue 12 (ASP)>,
 <Atom 194 (HB2) of chain 0 residue 12 (ASP)>,
 <Atom 195 (N) of chain 0 residue 13 (ILE)>,
 <Atom 196 (CA) of chain 0 residue 13 (ILE)>,
 <Atom 197 (C) of chain 0 residue 13 (ILE)>,
 <Atom 198 (O) of chain 0 residue 13 (ILE)>,
 <Atom 199 (H) of chain 0 residue 13 (ILE)>,
 <Atom 200 (CB) of chain 0 residue 13 (ILE)>,
 <Atom 201 (CD1) of chain 0 residue 13 (ILE)>,
 <Atom 202 (CG1) of chain 0 residue 13 (ILE)>,
 <Atom 203 (CG2) of chain 0 residue 13 (ILE)>,
 <Atom 204 (HA) of chain 0 residue 13 (ILE)>,
 <Atom 205 (HG22) of chain 0 residue 13 (ILE)>,
 <Atom 206 (HG21) of chain 0 residue 13 (ILE)>,
 <Atom 207 (HB) of chain 0 residue 13 (ILE)>,
 <Atom 208 (HG12) of chain 0 residue 13 (ILE)>,
 <Atom 209 (HG13) of chain 0 residue 13 (ILE)>,
 <Atom 210 (HD13) of chain 0 residue 13 (ILE)>,
 <Atom 211 (HD12) of chain 0 residue 13 (ILE)>,
 <Atom 212 (HG23) of chain 0 residue 13 (ILE)>,
 <Atom 213 (HD11) of chain 0 residue 13 (ILE)>,
 <Atom 214 (N) of chain 0 residue 14 (GLU)>,
 <Atom 215 (CA) of chain 0 residue 14 (GLU)>,
 <Atom 216 (C) of chain 0 residue 14 (GLU)>,
 <Atom 217 (O) of chain 0 residue 14 (GLU)>,
 <Atom 218 (H) of chain 0 residue 14 (GLU)>,
 <Atom 219 (CB) of chain 0 residue 14 (GLU)>,
 <Atom 220 (CD) of chain 0 residue 14 (GLU)>,
 <Atom 221 (CG) of chain 0 residue 14 (GLU)>,
 <Atom 222 (OE1) of chain 0 residue 14 (GLU)>,
 <Atom 223 (OE2) of chain 0 residue 14 (GLU)>,
 <Atom 224 (HG2) of chain 0 residue 14 (GLU)>,
 <Atom 225 (HA) of chain 0 residue 14 (GLU)>,
 <Atom 226 (HG3) of chain 0 residue 14 (GLU)>,
 <Atom 227 (HB3) of chain 0 residue 14 (GLU)>,
 <Atom 228 (HB2) of chain 0 residue 14 (GLU)>,
 <Atom 229 (N) of chain 0 residue 15 (VAL)>,
 <Atom 230 (CA) of chain 0 residue 15 (VAL)>,
 <Atom 231 (C) of chain 0 residue 15 (VAL)>,
 <Atom 232 (O) of chain 0 residue 15 (VAL)>,
 <Atom 233 (H) of chain 0 residue 15 (VAL)>,
 <Atom 234 (CB) of chain 0 residue 15 (VAL)>,
 <Atom 235 (CG1) of chain 0 residue 15 (VAL)>,
 <Atom 236 (CG2) of chain 0 residue 15 (VAL)>,
 <Atom 237 (HA) of chain 0 residue 15 (VAL)>,
 <Atom 238 (HG11) of chain 0 residue 15 (VAL)>,
 <Atom 239 (HG21) of chain 0 residue 15 (VAL)>,
 <Atom 240 (HB) of chain 0 residue 15 (VAL)>,
 <Atom 241 (HG12) of chain 0 residue 15 (VAL)>,
 <Atom 242 (HG13) of chain 0 residue 15 (VAL)>,
 <Atom 243 (HG23) of chain 0 residue 15 (VAL)>,
 <Atom 244 (HG22) of chain 0 residue 15 (VAL)>,
 <Atom 245 (N) of chain 0 residue 16 (ASP)>,
 <Atom 246 (CA) of chain 0 residue 16 (ASP)>,
 <Atom 247 (C) of chain 0 residue 16 (ASP)>,
 <Atom 248 (O) of chain 0 residue 16 (ASP)>,
 <Atom 249 (H) of chain 0 residue 16 (ASP)>,
 <Atom 250 (CB) of chain 0 residue 16 (ASP)>,
 <Atom 251 (CG) of chain 0 residue 16 (ASP)>,
 <Atom 252 (OD1) of chain 0 residue 16 (ASP)>,
 <Atom 253 (OD2) of chain 0 residue 16 (ASP)>,
 <Atom 254 (HA) of chain 0 residue 16 (ASP)>,
 <Atom 255 (HB3) of chain 0 residue 16 (ASP)>,
 <Atom 256 (HB2) of chain 0 residue 16 (ASP)>,
 <Atom 257 (N) of chain 0 residue 17 (LEU)>,
 <Atom 258 (CA) of chain 0 residue 17 (LEU)>,
 <Atom 259 (C) of chain 0 residue 17 (LEU)>,
 <Atom 260 (O) of chain 0 residue 17 (LEU)>,
 <Atom 261 (H) of chain 0 residue 17 (LEU)>,
 <Atom 262 (CB) of chain 0 residue 17 (LEU)>,
 <Atom 263 (CG) of chain 0 residue 17 (LEU)>,
 <Atom 264 (CD1) of chain 0 residue 17 (LEU)>,
 <Atom 265 (CD2) of chain 0 residue 17 (LEU)>,
 <Atom 266 (HD22) of chain 0 residue 17 (LEU)>,
 <Atom 267 (HD23) of chain 0 residue 17 (LEU)>,
 <Atom 268 (HD21) of chain 0 residue 17 (LEU)>,
 <Atom 269 (HD13) of chain 0 residue 17 (LEU)>,
 <Atom 270 (HD12) of chain 0 residue 17 (LEU)>,
 <Atom 271 (HD11) of chain 0 residue 17 (LEU)>,
 <Atom 272 (HA) of chain 0 residue 17 (LEU)>,
 <Atom 273 (HG) of chain 0 residue 17 (LEU)>,
 <Atom 274 (HB3) of chain 0 residue 17 (LEU)>,
 <Atom 275 (HB2) of chain 0 residue 17 (LEU)>,
 <Atom 276 (N) of chain 0 residue 18 (LEU)>,
 <Atom 277 (CA) of chain 0 residue 18 (LEU)>,
 <Atom 278 (C) of chain 0 residue 18 (LEU)>,
 <Atom 279 (O) of chain 0 residue 18 (LEU)>,
 <Atom 280 (H) of chain 0 residue 18 (LEU)>,
 <Atom 281 (CB) of chain 0 residue 18 (LEU)>,
 <Atom 282 (CG) of chain 0 residue 18 (LEU)>,
 <Atom 283 (CD1) of chain 0 residue 18 (LEU)>,
 <Atom 284 (CD2) of chain 0 residue 18 (LEU)>,
 <Atom 285 (HD22) of chain 0 residue 18 (LEU)>,
 <Atom 286 (HD23) of chain 0 residue 18 (LEU)>,
 <Atom 287 (HD21) of chain 0 residue 18 (LEU)>,
 <Atom 288 (HD13) of chain 0 residue 18 (LEU)>,
 <Atom 289 (HD12) of chain 0 residue 18 (LEU)>,
 <Atom 290 (HD11) of chain 0 residue 18 (LEU)>,
 <Atom 291 (HA) of chain 0 residue 18 (LEU)>,
 <Atom 292 (HG) of chain 0 residue 18 (LEU)>,
 <Atom 293 (HB3) of chain 0 residue 18 (LEU)>,
 <Atom 294 (HB2) of chain 0 residue 18 (LEU)>,
 <Atom 295 (N) of chain 0 residue 19 (LYS)>,
 <Atom 296 (CA) of chain 0 residue 19 (LYS)>,
 <Atom 297 (C) of chain 0 residue 19 (LYS)>,
 <Atom 298 (O) of chain 0 residue 19 (LYS)>,
 <Atom 299 (H) of chain 0 residue 19 (LYS)>,
 <Atom 300 (CB) of chain 0 residue 19 (LYS)>,
 <Atom 301 (CD) of chain 0 residue 19 (LYS)>,
 <Atom 302 (CE) of chain 0 residue 19 (LYS)>,
 <Atom 303 (CG) of chain 0 residue 19 (LYS)>,
 <Atom 304 (HZ1) of chain 0 residue 19 (LYS)>,
 <Atom 305 (HZ2) of chain 0 residue 19 (LYS)>,
 <Atom 306 (HZ3) of chain 0 residue 19 (LYS)>,
 <Atom 307 (NZ) of chain 0 residue 19 (LYS)>,
 <Atom 308 (HA) of chain 0 residue 19 (LYS)>,
 <Atom 309 (HE2) of chain 0 residue 19 (LYS)>,
 <Atom 310 (HE3) of chain 0 residue 19 (LYS)>,
 <Atom 311 (HG2) of chain 0 residue 19 (LYS)>,
 <Atom 312 (HG3) of chain 0 residue 19 (LYS)>,
 <Atom 313 (HD3) of chain 0 residue 19 (LYS)>,
 <Atom 314 (HD2) of chain 0 residue 19 (LYS)>,
 <Atom 315 (HB3) of chain 0 residue 19 (LYS)>,
 <Atom 316 (HB2) of chain 0 residue 19 (LYS)>,
 <Atom 317 (N) of chain 0 residue 20 (ASN)>,
 <Atom 318 (CA) of chain 0 residue 20 (ASN)>,
 <Atom 319 (C) of chain 0 residue 20 (ASN)>,
 <Atom 320 (O) of chain 0 residue 20 (ASN)>,
 <Atom 321 (H) of chain 0 residue 20 (ASN)>,
 <Atom 322 (CB) of chain 0 residue 20 (ASN)>,
 <Atom 323 (CG) of chain 0 residue 20 (ASN)>,
 <Atom 324 (HA) of chain 0 residue 20 (ASN)>,
 <Atom 325 (HB3) of chain 0 residue 20 (ASN)>,
 <Atom 326 (HB2) of chain 0 residue 20 (ASN)>,
 <Atom 327 (OD1) of chain 0 residue 20 (ASN)>,
 <Atom 328 (ND2) of chain 0 residue 20 (ASN)>,
 <Atom 329 (HD22) of chain 0 residue 20 (ASN)>,
 <Atom 330 (HD21) of chain 0 residue 20 (ASN)>,
 <Atom 331 (N) of chain 0 residue 21 (GLY)>,
 <Atom 332 (CA) of chain 0 residue 21 (GLY)>,
 <Atom 333 (C) of chain 0 residue 21 (GLY)>,
 <Atom 334 (O) of chain 0 residue 21 (GLY)>,
 <Atom 335 (H) of chain 0 residue 21 (GLY)>,
 <Atom 336 (HA2) of chain 0 residue 21 (GLY)>,
 <Atom 337 (HA3) of chain 0 residue 21 (GLY)>,
 <Atom 338 (N) of chain 0 residue 22 (GLU)>,
 <Atom 339 (CA) of chain 0 residue 22 (GLU)>,
 <Atom 340 (C) of chain 0 residue 22 (GLU)>,
 <Atom 341 (O) of chain 0 residue 22 (GLU)>,
 <Atom 342 (H) of chain 0 residue 22 (GLU)>,
 <Atom 343 (CB) of chain 0 residue 22 (GLU)>,
 <Atom 344 (CD) of chain 0 residue 22 (GLU)>,
 <Atom 345 (CG) of chain 0 residue 22 (GLU)>,
 <Atom 346 (OE1) of chain 0 residue 22 (GLU)>,
 <Atom 347 (OE2) of chain 0 residue 22 (GLU)>,
 <Atom 348 (HG2) of chain 0 residue 22 (GLU)>,
 <Atom 349 (HA) of chain 0 residue 22 (GLU)>,
 <Atom 350 (HG3) of chain 0 residue 22 (GLU)>,
 <Atom 351 (HB3) of chain 0 residue 22 (GLU)>,
 <Atom 352 (HB2) of chain 0 residue 22 (GLU)>,
 <Atom 353 (N) of chain 0 residue 23 (ARG)>,
 <Atom 354 (CA) of chain 0 residue 23 (ARG)>,
 <Atom 355 (C) of chain 0 residue 23 (ARG)>,
 <Atom 356 (O) of chain 0 residue 23 (ARG)>,
 <Atom 357 (H) of chain 0 residue 23 (ARG)>,
 <Atom 358 (CB) of chain 0 residue 23 (ARG)>,
 <Atom 359 (CD) of chain 0 residue 23 (ARG)>,
 <Atom 360 (HE) of chain 0 residue 23 (ARG)>,
 <Atom 361 (NE) of chain 0 residue 23 (ARG)>,
 <Atom 362 (CG) of chain 0 residue 23 (ARG)>,
 <Atom 363 (CZ) of chain 0 residue 23 (ARG)>,
 <Atom 364 (HH11) of chain 0 residue 23 (ARG)>,
 <Atom 365 (HH12) of chain 0 residue 23 (ARG)>,
 <Atom 366 (NH1) of chain 0 residue 23 (ARG)>,
 <Atom 367 (HH21) of chain 0 residue 23 (ARG)>,
 <Atom 368 (HH22) of chain 0 residue 23 (ARG)>,
 <Atom 369 (NH2) of chain 0 residue 23 (ARG)>,
 <Atom 370 (HG3) of chain 0 residue 23 (ARG)>,
 <Atom 371 (HA) of chain 0 residue 23 (ARG)>,
 <Atom 372 (HG2) of chain 0 residue 23 (ARG)>,
 <Atom 373 (HD3) of chain 0 residue 23 (ARG)>,
 <Atom 374 (HD2) of chain 0 residue 23 (ARG)>,
 <Atom 375 (HB3) of chain 0 residue 23 (ARG)>,
 <Atom 376 (HB2) of chain 0 residue 23 (ARG)>,
 <Atom 377 (N) of chain 0 residue 24 (ILE)>,
 <Atom 378 (CA) of chain 0 residue 24 (ILE)>,
 <Atom 379 (C) of chain 0 residue 24 (ILE)>,
 <Atom 380 (O) of chain 0 residue 24 (ILE)>,
 <Atom 381 (H) of chain 0 residue 24 (ILE)>,
 <Atom 382 (CB) of chain 0 residue 24 (ILE)>,
 <Atom 383 (CD1) of chain 0 residue 24 (ILE)>,
 <Atom 384 (CG1) of chain 0 residue 24 (ILE)>,
 <Atom 385 (CG2) of chain 0 residue 24 (ILE)>,
 <Atom 386 (HA) of chain 0 residue 24 (ILE)>,
 <Atom 387 (HG22) of chain 0 residue 24 (ILE)>,
 <Atom 388 (HG21) of chain 0 residue 24 (ILE)>,
 <Atom 389 (HB) of chain 0 residue 24 (ILE)>,
 <Atom 390 (HG12) of chain 0 residue 24 (ILE)>,
 <Atom 391 (HG13) of chain 0 residue 24 (ILE)>,
 <Atom 392 (HD13) of chain 0 residue 24 (ILE)>,
 <Atom 393 (HD12) of chain 0 residue 24 (ILE)>,
 <Atom 394 (HG23) of chain 0 residue 24 (ILE)>,
 <Atom 395 (HD11) of chain 0 residue 24 (ILE)>,
 <Atom 396 (N) of chain 0 residue 25 (GLU)>,
 <Atom 397 (CA) of chain 0 residue 25 (GLU)>,
 <Atom 398 (C) of chain 0 residue 25 (GLU)>,
 <Atom 399 (O) of chain 0 residue 25 (GLU)>,
 <Atom 400 (H) of chain 0 residue 25 (GLU)>,
 <Atom 401 (CB) of chain 0 residue 25 (GLU)>,
 <Atom 402 (CD) of chain 0 residue 25 (GLU)>,
 <Atom 403 (CG) of chain 0 residue 25 (GLU)>,
 <Atom 404 (OE1) of chain 0 residue 25 (GLU)>,
 <Atom 405 (OE2) of chain 0 residue 25 (GLU)>,
 <Atom 406 (HG2) of chain 0 residue 25 (GLU)>,
 <Atom 407 (HA) of chain 0 residue 25 (GLU)>,
 <Atom 408 (HG3) of chain 0 residue 25 (GLU)>,
 <Atom 409 (HB3) of chain 0 residue 25 (GLU)>,
 <Atom 410 (HB2) of chain 0 residue 25 (GLU)>,
 <Atom 411 (N) of chain 0 residue 26 (LYS)>,
 <Atom 412 (CA) of chain 0 residue 26 (LYS)>,
 <Atom 413 (C) of chain 0 residue 26 (LYS)>,
 <Atom 414 (O) of chain 0 residue 26 (LYS)>,
 <Atom 415 (H) of chain 0 residue 26 (LYS)>,
 <Atom 416 (CB) of chain 0 residue 26 (LYS)>,
 <Atom 417 (CD) of chain 0 residue 26 (LYS)>,
 <Atom 418 (CE) of chain 0 residue 26 (LYS)>,
 <Atom 419 (CG) of chain 0 residue 26 (LYS)>,
 <Atom 420 (HZ1) of chain 0 residue 26 (LYS)>,
 <Atom 421 (HZ2) of chain 0 residue 26 (LYS)>,
 <Atom 422 (HZ3) of chain 0 residue 26 (LYS)>,
 <Atom 423 (NZ) of chain 0 residue 26 (LYS)>,
 <Atom 424 (HA) of chain 0 residue 26 (LYS)>,
 <Atom 425 (HE2) of chain 0 residue 26 (LYS)>,
 <Atom 426 (HE3) of chain 0 residue 26 (LYS)>,
 <Atom 427 (HG2) of chain 0 residue 26 (LYS)>,
 <Atom 428 (HG3) of chain 0 residue 26 (LYS)>,
 <Atom 429 (HD3) of chain 0 residue 26 (LYS)>,
 <Atom 430 (HD2) of chain 0 residue 26 (LYS)>,
 <Atom 431 (HB3) of chain 0 residue 26 (LYS)>,
 <Atom 432 (HB2) of chain 0 residue 26 (LYS)>,
 <Atom 433 (N) of chain 0 residue 27 (VAL)>,
 <Atom 434 (CA) of chain 0 residue 27 (VAL)>,
 <Atom 435 (C) of chain 0 residue 27 (VAL)>,
 <Atom 436 (O) of chain 0 residue 27 (VAL)>,
 <Atom 437 (H) of chain 0 residue 27 (VAL)>,
 <Atom 438 (CB) of chain 0 residue 27 (VAL)>,
 <Atom 439 (CG1) of chain 0 residue 27 (VAL)>,
 <Atom 440 (CG2) of chain 0 residue 27 (VAL)>,
 <Atom 441 (HA) of chain 0 residue 27 (VAL)>,
 <Atom 442 (HG11) of chain 0 residue 27 (VAL)>,
 <Atom 443 (HG21) of chain 0 residue 27 (VAL)>,
 <Atom 444 (HB) of chain 0 residue 27 (VAL)>,
 <Atom 445 (HG12) of chain 0 residue 27 (VAL)>,
 <Atom 446 (HG13) of chain 0 residue 27 (VAL)>,
 <Atom 447 (HG23) of chain 0 residue 27 (VAL)>,
 <Atom 448 (HG22) of chain 0 residue 27 (VAL)>,
 <Atom 449 (N) of chain 0 residue 28 (GLU)>,
 <Atom 450 (CA) of chain 0 residue 28 (GLU)>,
 <Atom 451 (C) of chain 0 residue 28 (GLU)>,
 <Atom 452 (O) of chain 0 residue 28 (GLU)>,
 <Atom 453 (H) of chain 0 residue 28 (GLU)>,
 <Atom 454 (CB) of chain 0 residue 28 (GLU)>,
 <Atom 455 (CD) of chain 0 residue 28 (GLU)>,
 <Atom 456 (CG) of chain 0 residue 28 (GLU)>,
 <Atom 457 (OE1) of chain 0 residue 28 (GLU)>,
 <Atom 458 (OE2) of chain 0 residue 28 (GLU)>,
 <Atom 459 (HG2) of chain 0 residue 28 (GLU)>,
 <Atom 460 (HA) of chain 0 residue 28 (GLU)>,
 <Atom 461 (HG3) of chain 0 residue 28 (GLU)>,
 <Atom 462 (HB3) of chain 0 residue 28 (GLU)>,
 <Atom 463 (HB2) of chain 0 residue 28 (GLU)>,
 <Atom 464 (N) of chain 0 residue 29 (HIS)>,
 <Atom 465 (CA) of chain 0 residue 29 (HIS)>,
 <Atom 466 (C) of chain 0 residue 29 (HIS)>,
 <Atom 467 (O) of chain 0 residue 29 (HIS)>,
 <Atom 468 (H) of chain 0 residue 29 (HIS)>,
 <Atom 469 (CB) of chain 0 residue 29 (HIS)>,
 <Atom 470 (CG) of chain 0 residue 29 (HIS)>,
 <Atom 471 (ND1) of chain 0 residue 29 (HIS)>,
 <Atom 472 (CE1) of chain 0 residue 29 (HIS)>,
 <Atom 473 (CD2) of chain 0 residue 29 (HIS)>,
 <Atom 474 (NE2) of chain 0 residue 29 (HIS)>,
 <Atom 475 (HD1) of chain 0 residue 29 (HIS)>,
 <Atom 476 (HD2) of chain 0 residue 29 (HIS)>,
 <Atom 477 (HE1) of chain 0 residue 29 (HIS)>,
 <Atom 478 (HA) of chain 0 residue 29 (HIS)>,
 <Atom 479 (HB3) of chain 0 residue 29 (HIS)>,
 <Atom 480 (HB2) of chain 0 residue 29 (HIS)>,
 <Atom 481 (N) of chain 0 residue 30 (SER)>,
 <Atom 482 (CA) of chain 0 residue 30 (SER)>,
 <Atom 483 (C) of chain 0 residue 30 (SER)>,
 <Atom 484 (O) of chain 0 residue 30 (SER)>,
 <Atom 485 (H) of chain 0 residue 30 (SER)>,
 <Atom 486 (CB) of chain 0 residue 30 (SER)>,
 <Atom 487 (OG) of chain 0 residue 30 (SER)>,
 <Atom 488 (HA) of chain 0 residue 30 (SER)>,
 <Atom 489 (HB3) of chain 0 residue 30 (SER)>,
 <Atom 490 (HB2) of chain 0 residue 30 (SER)>,
 <Atom 491 (HG) of chain 0 residue 30 (SER)>,
 <Atom 492 (N) of chain 0 residue 31 (ASP)>,
 <Atom 493 (CA) of chain 0 residue 31 (ASP)>,
 <Atom 494 (C) of chain 0 residue 31 (ASP)>,
 <Atom 495 (O) of chain 0 residue 31 (ASP)>,
 <Atom 496 (H) of chain 0 residue 31 (ASP)>,
 <Atom 497 (CB) of chain 0 residue 31 (ASP)>,
 <Atom 498 (CG) of chain 0 residue 31 (ASP)>,
 <Atom 499 (OD1) of chain 0 residue 31 (ASP)>,
 <Atom 500 (OD2) of chain 0 residue 31 (ASP)>,
 <Atom 501 (HA) of chain 0 residue 31 (ASP)>,
 <Atom 502 (HB3) of chain 0 residue 31 (ASP)>,
 <Atom 503 (HB2) of chain 0 residue 31 (ASP)>,
 <Atom 504 (N) of chain 0 residue 32 (LEU)>,
 <Atom 505 (CA) of chain 0 residue 32 (LEU)>,
 <Atom 506 (C) of chain 0 residue 32 (LEU)>,
 <Atom 507 (O) of chain 0 residue 32 (LEU)>,
 <Atom 508 (H) of chain 0 residue 32 (LEU)>,
 <Atom 509 (CB) of chain 0 residue 32 (LEU)>,
 <Atom 510 (CG) of chain 0 residue 32 (LEU)>,
 <Atom 511 (CD1) of chain 0 residue 32 (LEU)>,
 <Atom 512 (CD2) of chain 0 residue 32 (LEU)>,
 <Atom 513 (HD22) of chain 0 residue 32 (LEU)>,
 <Atom 514 (HD23) of chain 0 residue 32 (LEU)>,
 <Atom 515 (HD21) of chain 0 residue 32 (LEU)>,
 <Atom 516 (HD13) of chain 0 residue 32 (LEU)>,
 <Atom 517 (HD12) of chain 0 residue 32 (LEU)>,
 <Atom 518 (HD11) of chain 0 residue 32 (LEU)>,
 <Atom 519 (HA) of chain 0 residue 32 (LEU)>,
 <Atom 520 (HG) of chain 0 residue 32 (LEU)>,
 <Atom 521 (HB3) of chain 0 residue 32 (LEU)>,
 <Atom 522 (HB2) of chain 0 residue 32 (LEU)>,
 <Atom 523 (N) of chain 0 residue 33 (SER)>,
 <Atom 524 (CA) of chain 0 residue 33 (SER)>,
 <Atom 525 (C) of chain 0 residue 33 (SER)>,
 <Atom 526 (O) of chain 0 residue 33 (SER)>,
 <Atom 527 (H) of chain 0 residue 33 (SER)>,
 <Atom 528 (CB) of chain 0 residue 33 (SER)>,
 <Atom 529 (OG) of chain 0 residue 33 (SER)>,
 <Atom 530 (HA) of chain 0 residue 33 (SER)>,
 <Atom 531 (HB3) of chain 0 residue 33 (SER)>,
 <Atom 532 (HB2) of chain 0 residue 33 (SER)>,
 <Atom 533 (HG) of chain 0 residue 33 (SER)>,
 <Atom 534 (N) of chain 0 residue 34 (PHE)>,
 <Atom 535 (CA) of chain 0 residue 34 (PHE)>,
 <Atom 536 (C) of chain 0 residue 34 (PHE)>,
 <Atom 537 (O) of chain 0 residue 34 (PHE)>,
 <Atom 538 (H) of chain 0 residue 34 (PHE)>,
 <Atom 539 (CB) of chain 0 residue 34 (PHE)>,
 <Atom 540 (CG) of chain 0 residue 34 (PHE)>,
 <Atom 541 (CZ) of chain 0 residue 34 (PHE)>,
 <Atom 542 (CD1) of chain 0 residue 34 (PHE)>,
 <Atom 543 (CE1) of chain 0 residue 34 (PHE)>,
 <Atom 544 (CD2) of chain 0 residue 34 (PHE)>,
 <Atom 545 (CE2) of chain 0 residue 34 (PHE)>,
 <Atom 546 (HZ) of chain 0 residue 34 (PHE)>,
 <Atom 547 (HA) of chain 0 residue 34 (PHE)>,
 <Atom 548 (HE1) of chain 0 residue 34 (PHE)>,
 <Atom 549 (HE2) of chain 0 residue 34 (PHE)>,
 <Atom 550 (HD2) of chain 0 residue 34 (PHE)>,
 <Atom 551 (HD1) of chain 0 residue 34 (PHE)>,
 <Atom 552 (HB3) of chain 0 residue 34 (PHE)>,
 <Atom 553 (HB2) of chain 0 residue 34 (PHE)>,
 <Atom 554 (N) of chain 0 residue 35 (SER)>,
 <Atom 555 (CA) of chain 0 residue 35 (SER)>,
 <Atom 556 (C) of chain 0 residue 35 (SER)>,
 <Atom 557 (O) of chain 0 residue 35 (SER)>,
 <Atom 558 (H) of chain 0 residue 35 (SER)>,
 <Atom 559 (CB) of chain 0 residue 35 (SER)>,
 <Atom 560 (OG) of chain 0 residue 35 (SER)>,
 <Atom 561 (HA) of chain 0 residue 35 (SER)>,
 <Atom 562 (HB3) of chain 0 residue 35 (SER)>,
 <Atom 563 (HB2) of chain 0 residue 35 (SER)>,
 <Atom 564 (HG) of chain 0 residue 35 (SER)>,
 <Atom 565 (N) of chain 0 residue 36 (LYS)>,
 <Atom 566 (CA) of chain 0 residue 36 (LYS)>,
 <Atom 567 (C) of chain 0 residue 36 (LYS)>,
 <Atom 568 (O) of chain 0 residue 36 (LYS)>,
 <Atom 569 (H) of chain 0 residue 36 (LYS)>,
 <Atom 570 (CB) of chain 0 residue 36 (LYS)>,
 <Atom 571 (CD) of chain 0 residue 36 (LYS)>,
 <Atom 572 (CE) of chain 0 residue 36 (LYS)>,
 <Atom 573 (CG) of chain 0 residue 36 (LYS)>,
 <Atom 574 (HZ1) of chain 0 residue 36 (LYS)>,
 <Atom 575 (HZ2) of chain 0 residue 36 (LYS)>,
 <Atom 576 (HZ3) of chain 0 residue 36 (LYS)>,
 <Atom 577 (NZ) of chain 0 residue 36 (LYS)>,
 <Atom 578 (HA) of chain 0 residue 36 (LYS)>,
 <Atom 579 (HE2) of chain 0 residue 36 (LYS)>,
 <Atom 580 (HE3) of chain 0 residue 36 (LYS)>,
 <Atom 581 (HG2) of chain 0 residue 36 (LYS)>,
 <Atom 582 (HG3) of chain 0 residue 36 (LYS)>,
 <Atom 583 (HD3) of chain 0 residue 36 (LYS)>,
 <Atom 584 (HD2) of chain 0 residue 36 (LYS)>,
 <Atom 585 (HB3) of chain 0 residue 36 (LYS)>,
 <Atom 586 (HB2) of chain 0 residue 36 (LYS)>,
 <Atom 587 (N) of chain 0 residue 37 (ASP)>,
 <Atom 588 (CA) of chain 0 residue 37 (ASP)>,
 <Atom 589 (C) of chain 0 residue 37 (ASP)>,
 <Atom 590 (O) of chain 0 residue 37 (ASP)>,
 <Atom 591 (H) of chain 0 residue 37 (ASP)>,
 <Atom 592 (CB) of chain 0 residue 37 (ASP)>,
 <Atom 593 (CG) of chain 0 residue 37 (ASP)>,
 <Atom 594 (OD1) of chain 0 residue 37 (ASP)>,
 <Atom 595 (OD2) of chain 0 residue 37 (ASP)>,
 <Atom 596 (HA) of chain 0 residue 37 (ASP)>,
 <Atom 597 (HB3) of chain 0 residue 37 (ASP)>,
 <Atom 598 (HB2) of chain 0 residue 37 (ASP)>,
 <Atom 599 (N) of chain 0 residue 38 (TRP)>,
 <Atom 600 (CA) of chain 0 residue 38 (TRP)>,
 <Atom 601 (C) of chain 0 residue 38 (TRP)>,
 <Atom 602 (O) of chain 0 residue 38 (TRP)>,
 <Atom 603 (H) of chain 0 residue 38 (TRP)>,
 <Atom 604 (CB) of chain 0 residue 38 (TRP)>,
 <Atom 605 (HB3) of chain 0 residue 38 (TRP)>,
 <Atom 606 (HB2) of chain 0 residue 38 (TRP)>,
 <Atom 607 (CG) of chain 0 residue 38 (TRP)>,
 <Atom 608 (CD1) of chain 0 residue 38 (TRP)>,
 <Atom 609 (HE1) of chain 0 residue 38 (TRP)>,
 <Atom 610 (NE1) of chain 0 residue 38 (TRP)>,
 <Atom 611 (CD2) of chain 0 residue 38 (TRP)>,
 <Atom 612 (CE2) of chain 0 residue 38 (TRP)>,
 <Atom 613 (CH2) of chain 0 residue 38 (TRP)>,
 <Atom 614 (CZ2) of chain 0 residue 38 (TRP)>,
 <Atom 615 (CE3) of chain 0 residue 38 (TRP)>,
 <Atom 616 (CZ3) of chain 0 residue 38 (TRP)>,
 <Atom 617 (HH2) of chain 0 residue 38 (TRP)>,
 <Atom 618 (HA) of chain 0 residue 38 (TRP)>,
 <Atom 619 (HE3) of chain 0 residue 38 (TRP)>,
 <Atom 620 (HZ3) of chain 0 residue 38 (TRP)>,
 <Atom 621 (HZ2) of chain 0 residue 38 (TRP)>,
 <Atom 622 (HD1) of chain 0 residue 38 (TRP)>,
 <Atom 623 (N) of chain 0 residue 39 (SER)>,
 <Atom 624 (CA) of chain 0 residue 39 (SER)>,
 <Atom 625 (C) of chain 0 residue 39 (SER)>,
 <Atom 626 (O) of chain 0 residue 39 (SER)>,
 <Atom 627 (H) of chain 0 residue 39 (SER)>,
 <Atom 628 (CB) of chain 0 residue 39 (SER)>,
 <Atom 629 (OG) of chain 0 residue 39 (SER)>,
 <Atom 630 (HA) of chain 0 residue 39 (SER)>,
 <Atom 631 (HB3) of chain 0 residue 39 (SER)>,
 <Atom 632 (HB2) of chain 0 residue 39 (SER)>,
 <Atom 633 (HG) of chain 0 residue 39 (SER)>,
 <Atom 634 (N) of chain 0 residue 40 (PHE)>,
 <Atom 635 (CA) of chain 0 residue 40 (PHE)>,
 <Atom 636 (C) of chain 0 residue 40 (PHE)>,
 <Atom 637 (O) of chain 0 residue 40 (PHE)>,
 <Atom 638 (H) of chain 0 residue 40 (PHE)>,
 <Atom 639 (CB) of chain 0 residue 40 (PHE)>,
 <Atom 640 (CG) of chain 0 residue 40 (PHE)>,
 <Atom 641 (CZ) of chain 0 residue 40 (PHE)>,
 <Atom 642 (CD1) of chain 0 residue 40 (PHE)>,
 <Atom 643 (CE1) of chain 0 residue 40 (PHE)>,
 <Atom 644 (CD2) of chain 0 residue 40 (PHE)>,
 <Atom 645 (CE2) of chain 0 residue 40 (PHE)>,
 <Atom 646 (HZ) of chain 0 residue 40 (PHE)>,
 <Atom 647 (HA) of chain 0 residue 40 (PHE)>,
 <Atom 648 (HE1) of chain 0 residue 40 (PHE)>,
 <Atom 649 (HE2) of chain 0 residue 40 (PHE)>,
 <Atom 650 (HD2) of chain 0 residue 40 (PHE)>,
 <Atom 651 (HD1) of chain 0 residue 40 (PHE)>,
 <Atom 652 (HB3) of chain 0 residue 40 (PHE)>,
 <Atom 653 (HB2) of chain 0 residue 40 (PHE)>,
 <Atom 654 (N) of chain 0 residue 41 (TYR)>,
 <Atom 655 (CA) of chain 0 residue 41 (TYR)>,
 <Atom 656 (C) of chain 0 residue 41 (TYR)>,
 <Atom 657 (O) of chain 0 residue 41 (TYR)>,
 <Atom 658 (H) of chain 0 residue 41 (TYR)>,
 <Atom 659 (CB) of chain 0 residue 41 (TYR)>,
 <Atom 660 (CG) of chain 0 residue 41 (TYR)>,
 <Atom 661 (OH) of chain 0 residue 41 (TYR)>,
 <Atom 662 (CZ) of chain 0 residue 41 (TYR)>,
 <Atom 663 (CD1) of chain 0 residue 41 (TYR)>,
 <Atom 664 (CE1) of chain 0 residue 41 (TYR)>,
 <Atom 665 (CD2) of chain 0 residue 41 (TYR)>,
 <Atom 666 (CE2) of chain 0 residue 41 (TYR)>,
 <Atom 667 (HA) of chain 0 residue 41 (TYR)>,
 <Atom 668 (HE1) of chain 0 residue 41 (TYR)>,
 <Atom 669 (HE2) of chain 0 residue 41 (TYR)>,
 <Atom 670 (HD2) of chain 0 residue 41 (TYR)>,
 <Atom 671 (HD1) of chain 0 residue 41 (TYR)>,
 <Atom 672 (HB3) of chain 0 residue 41 (TYR)>,
 <Atom 673 (HB2) of chain 0 residue 41 (TYR)>,
 <Atom 674 (HH) of chain 0 residue 41 (TYR)>,
 <Atom 675 (N) of chain 0 residue 42 (LEU)>,
 <Atom 676 (CA) of chain 0 residue 42 (LEU)>,
 <Atom 677 (C) of chain 0 residue 42 (LEU)>,
 <Atom 678 (O) of chain 0 residue 42 (LEU)>,
 <Atom 679 (H) of chain 0 residue 42 (LEU)>,
 <Atom 680 (CB) of chain 0 residue 42 (LEU)>,
 <Atom 681 (CG) of chain 0 residue 42 (LEU)>,
 <Atom 682 (CD1) of chain 0 residue 42 (LEU)>,
 <Atom 683 (CD2) of chain 0 residue 42 (LEU)>,
 <Atom 684 (HD22) of chain 0 residue 42 (LEU)>,
 <Atom 685 (HD23) of chain 0 residue 42 (LEU)>,
 <Atom 686 (HD21) of chain 0 residue 42 (LEU)>,
 <Atom 687 (HD13) of chain 0 residue 42 (LEU)>,
 <Atom 688 (HD12) of chain 0 residue 42 (LEU)>,
 <Atom 689 (HD11) of chain 0 residue 42 (LEU)>,
 <Atom 690 (HA) of chain 0 residue 42 (LEU)>,
 <Atom 691 (HG) of chain 0 residue 42 (LEU)>,
 <Atom 692 (HB3) of chain 0 residue 42 (LEU)>,
 <Atom 693 (HB2) of chain 0 residue 42 (LEU)>,
 <Atom 694 (N) of chain 0 residue 43 (LEU)>,
 <Atom 695 (CA) of chain 0 residue 43 (LEU)>,
 <Atom 696 (C) of chain 0 residue 43 (LEU)>,
 <Atom 697 (O) of chain 0 residue 43 (LEU)>,
 <Atom 698 (H) of chain 0 residue 43 (LEU)>,
 <Atom 699 (CB) of chain 0 residue 43 (LEU)>,
 <Atom 700 (CG) of chain 0 residue 43 (LEU)>,
 <Atom 701 (CD1) of chain 0 residue 43 (LEU)>,
 <Atom 702 (CD2) of chain 0 residue 43 (LEU)>,
 <Atom 703 (HD22) of chain 0 residue 43 (LEU)>,
 <Atom 704 (HD23) of chain 0 residue 43 (LEU)>,
 <Atom 705 (HD21) of chain 0 residue 43 (LEU)>,
 <Atom 706 (HD13) of chain 0 residue 43 (LEU)>,
 <Atom 707 (HD12) of chain 0 residue 43 (LEU)>,
 <Atom 708 (HD11) of chain 0 residue 43 (LEU)>,
 <Atom 709 (HA) of chain 0 residue 43 (LEU)>,
 <Atom 710 (HG) of chain 0 residue 43 (LEU)>,
 <Atom 711 (HB3) of chain 0 residue 43 (LEU)>,
 <Atom 712 (HB2) of chain 0 residue 43 (LEU)>,
 <Atom 713 (N) of chain 0 residue 44 (TYR)>,
 <Atom 714 (CA) of chain 0 residue 44 (TYR)>,
 <Atom 715 (C) of chain 0 residue 44 (TYR)>,
 <Atom 716 (O) of chain 0 residue 44 (TYR)>,
 <Atom 717 (H) of chain 0 residue 44 (TYR)>,
 <Atom 718 (CB) of chain 0 residue 44 (TYR)>,
 <Atom 719 (CG) of chain 0 residue 44 (TYR)>,
 <Atom 720 (OH) of chain 0 residue 44 (TYR)>,
 <Atom 721 (CZ) of chain 0 residue 44 (TYR)>,
 <Atom 722 (CD1) of chain 0 residue 44 (TYR)>,
 <Atom 723 (CE1) of chain 0 residue 44 (TYR)>,
 <Atom 724 (CD2) of chain 0 residue 44 (TYR)>,
 <Atom 725 (CE2) of chain 0 residue 44 (TYR)>,
 <Atom 726 (HA) of chain 0 residue 44 (TYR)>,
 <Atom 727 (HE1) of chain 0 residue 44 (TYR)>,
 <Atom 728 (HE2) of chain 0 residue 44 (TYR)>,
 <Atom 729 (HD2) of chain 0 residue 44 (TYR)>,
 <Atom 730 (HD1) of chain 0 residue 44 (TYR)>,
 <Atom 731 (HB3) of chain 0 residue 44 (TYR)>,
 <Atom 732 (HB2) of chain 0 residue 44 (TYR)>,
 <Atom 733 (HH) of chain 0 residue 44 (TYR)>,
 <Atom 734 (N) of chain 0 residue 45 (TYR)>,
 <Atom 735 (CA) of chain 0 residue 45 (TYR)>,
 <Atom 736 (C) of chain 0 residue 45 (TYR)>,
 <Atom 737 (O) of chain 0 residue 45 (TYR)>,
 <Atom 738 (H) of chain 0 residue 45 (TYR)>,
 <Atom 739 (CB) of chain 0 residue 45 (TYR)>,
 <Atom 740 (CG) of chain 0 residue 45 (TYR)>,
 <Atom 741 (OH) of chain 0 residue 45 (TYR)>,
 <Atom 742 (CZ) of chain 0 residue 45 (TYR)>,
 <Atom 743 (CD1) of chain 0 residue 45 (TYR)>,
 <Atom 744 (CE1) of chain 0 residue 45 (TYR)>,
 <Atom 745 (CD2) of chain 0 residue 45 (TYR)>,
 <Atom 746 (CE2) of chain 0 residue 45 (TYR)>,
 <Atom 747 (HA) of chain 0 residue 45 (TYR)>,
 <Atom 748 (HE1) of chain 0 residue 45 (TYR)>,
 <Atom 749 (HE2) of chain 0 residue 45 (TYR)>,
 <Atom 750 (HD2) of chain 0 residue 45 (TYR)>,
 <Atom 751 (HD1) of chain 0 residue 45 (TYR)>,
 <Atom 752 (HB3) of chain 0 residue 45 (TYR)>,
 <Atom 753 (HB2) of chain 0 residue 45 (TYR)>,
 <Atom 754 (HH) of chain 0 residue 45 (TYR)>,
 <Atom 755 (N) of chain 0 residue 46 (THR)>,
 <Atom 756 (CA) of chain 0 residue 46 (THR)>,
 <Atom 757 (C) of chain 0 residue 46 (THR)>,
 <Atom 758 (O) of chain 0 residue 46 (THR)>,
 <Atom 759 (H) of chain 0 residue 46 (THR)>,
 <Atom 760 (CB) of chain 0 residue 46 (THR)>,
 <Atom 761 (OG1) of chain 0 residue 46 (THR)>,
 <Atom 762 (CG2) of chain 0 residue 46 (THR)>,
 <Atom 763 (HA) of chain 0 residue 46 (THR)>,
 <Atom 764 (HG22) of chain 0 residue 46 (THR)>,
 <Atom 765 (HG21) of chain 0 residue 46 (THR)>,
 <Atom 766 (HB) of chain 0 residue 46 (THR)>,
 <Atom 767 (HG23) of chain 0 residue 46 (THR)>,
 <Atom 768 (HG1) of chain 0 residue 46 (THR)>,
 <Atom 769 (N) of chain 0 residue 47 (GLU)>,
 <Atom 770 (CA) of chain 0 residue 47 (GLU)>,
 <Atom 771 (C) of chain 0 residue 47 (GLU)>,
 <Atom 772 (O) of chain 0 residue 47 (GLU)>,
 <Atom 773 (H) of chain 0 residue 47 (GLU)>,
 <Atom 774 (CB) of chain 0 residue 47 (GLU)>,
 <Atom 775 (CD) of chain 0 residue 47 (GLU)>,
 <Atom 776 (CG) of chain 0 residue 47 (GLU)>,
 <Atom 777 (OE1) of chain 0 residue 47 (GLU)>,
 <Atom 778 (OE2) of chain 0 residue 47 (GLU)>,
 <Atom 779 (HG2) of chain 0 residue 47 (GLU)>,
 <Atom 780 (HA) of chain 0 residue 47 (GLU)>,
 <Atom 781 (HG3) of chain 0 residue 47 (GLU)>,
 <Atom 782 (HB3) of chain 0 residue 47 (GLU)>,
 <Atom 783 (HB2) of chain 0 residue 47 (GLU)>,
 <Atom 784 (N) of chain 0 residue 48 (PHE)>,
 <Atom 785 (CA) of chain 0 residue 48 (PHE)>,
 <Atom 786 (C) of chain 0 residue 48 (PHE)>,
 <Atom 787 (O) of chain 0 residue 48 (PHE)>,
 <Atom 788 (H) of chain 0 residue 48 (PHE)>,
 <Atom 789 (CB) of chain 0 residue 48 (PHE)>,
 <Atom 790 (CG) of chain 0 residue 48 (PHE)>,
 <Atom 791 (CZ) of chain 0 residue 48 (PHE)>,
 <Atom 792 (CD1) of chain 0 residue 48 (PHE)>,
 <Atom 793 (CE1) of chain 0 residue 48 (PHE)>,
 <Atom 794 (CD2) of chain 0 residue 48 (PHE)>,
 <Atom 795 (CE2) of chain 0 residue 48 (PHE)>,
 <Atom 796 (HZ) of chain 0 residue 48 (PHE)>,
 <Atom 797 (HA) of chain 0 residue 48 (PHE)>,
 <Atom 798 (HE1) of chain 0 residue 48 (PHE)>,
 <Atom 799 (HE2) of chain 0 residue 48 (PHE)>,
 <Atom 800 (HD2) of chain 0 residue 48 (PHE)>,
 <Atom 801 (HD1) of chain 0 residue 48 (PHE)>,
 <Atom 802 (HB3) of chain 0 residue 48 (PHE)>,
 <Atom 803 (HB2) of chain 0 residue 48 (PHE)>,
 <Atom 804 (N) of chain 0 residue 49 (THR)>,
 <Atom 805 (CA) of chain 0 residue 49 (THR)>,
 <Atom 806 (C) of chain 0 residue 49 (THR)>,
 <Atom 807 (O) of chain 0 residue 49 (THR)>,
 <Atom 808 (H) of chain 0 residue 49 (THR)>,
 <Atom 809 (CB) of chain 0 residue 49 (THR)>,
 <Atom 810 (OG1) of chain 0 residue 49 (THR)>,
 <Atom 811 (CG2) of chain 0 residue 49 (THR)>,
 <Atom 812 (HA) of chain 0 residue 49 (THR)>,
 <Atom 813 (HG22) of chain 0 residue 49 (THR)>,
 <Atom 814 (HG21) of chain 0 residue 49 (THR)>,
 <Atom 815 (HB) of chain 0 residue 49 (THR)>,
 <Atom 816 (HG23) of chain 0 residue 49 (THR)>,
 <Atom 817 (HG1) of chain 0 residue 49 (THR)>,
 <Atom 818 (N) of chain 0 residue 50 (PRO)>,
 <Atom 819 (CA) of chain 0 residue 50 (PRO)>,
 <Atom 820 (C) of chain 0 residue 50 (PRO)>,
 <Atom 821 (O) of chain 0 residue 50 (PRO)>,
 <Atom 822 (CB) of chain 0 residue 50 (PRO)>,
 <Atom 823 (CD) of chain 0 residue 50 (PRO)>,
 <Atom 824 (CG) of chain 0 residue 50 (PRO)>,
 <Atom 825 (HG2) of chain 0 residue 50 (PRO)>,
 <Atom 826 (HA) of chain 0 residue 50 (PRO)>,
 <Atom 827 (HD3) of chain 0 residue 50 (PRO)>,
 <Atom 828 (HD2) of chain 0 residue 50 (PRO)>,
 <Atom 829 (HG3) of chain 0 residue 50 (PRO)>,
 <Atom 830 (HB3) of chain 0 residue 50 (PRO)>,
 <Atom 831 (HB2) of chain 0 residue 50 (PRO)>,
 <Atom 832 (N) of chain 0 residue 51 (THR)>,
 <Atom 833 (CA) of chain 0 residue 51 (THR)>,
 <Atom 834 (C) of chain 0 residue 51 (THR)>,
 <Atom 835 (O) of chain 0 residue 51 (THR)>,
 <Atom 836 (H) of chain 0 residue 51 (THR)>,
 <Atom 837 (CB) of chain 0 residue 51 (THR)>,
 <Atom 838 (OG1) of chain 0 residue 51 (THR)>,
 <Atom 839 (CG2) of chain 0 residue 51 (THR)>,
 <Atom 840 (HA) of chain 0 residue 51 (THR)>,
 <Atom 841 (HG22) of chain 0 residue 51 (THR)>,
 <Atom 842 (HG21) of chain 0 residue 51 (THR)>,
 <Atom 843 (HB) of chain 0 residue 51 (THR)>,
 <Atom 844 (HG23) of chain 0 residue 51 (THR)>,
 <Atom 845 (HG1) of chain 0 residue 51 (THR)>,
 <Atom 846 (N) of chain 0 residue 52 (GLU)>,
 <Atom 847 (CA) of chain 0 residue 52 (GLU)>,
 <Atom 848 (C) of chain 0 residue 52 (GLU)>,
 <Atom 849 (O) of chain 0 residue 52 (GLU)>,
 <Atom 850 (H) of chain 0 residue 52 (GLU)>,
 <Atom 851 (CB) of chain 0 residue 52 (GLU)>,
 <Atom 852 (CD) of chain 0 residue 52 (GLU)>,
 <Atom 853 (CG) of chain 0 residue 52 (GLU)>,
 <Atom 854 (OE1) of chain 0 residue 52 (GLU)>,
 <Atom 855 (OE2) of chain 0 residue 52 (GLU)>,
 <Atom 856 (HG2) of chain 0 residue 52 (GLU)>,
 <Atom 857 (HA) of chain 0 residue 52 (GLU)>,
 <Atom 858 (HG3) of chain 0 residue 52 (GLU)>,
 <Atom 859 (HB3) of chain 0 residue 52 (GLU)>,
 <Atom 860 (HB2) of chain 0 residue 52 (GLU)>,
 <Atom 861 (N) of chain 0 residue 53 (LYS)>,
 <Atom 862 (CA) of chain 0 residue 53 (LYS)>,
 <Atom 863 (C) of chain 0 residue 53 (LYS)>,
 <Atom 864 (O) of chain 0 residue 53 (LYS)>,
 <Atom 865 (H) of chain 0 residue 53 (LYS)>,
 <Atom 866 (CB) of chain 0 residue 53 (LYS)>,
 <Atom 867 (CD) of chain 0 residue 53 (LYS)>,
 <Atom 868 (CE) of chain 0 residue 53 (LYS)>,
 <Atom 869 (CG) of chain 0 residue 53 (LYS)>,
 <Atom 870 (HZ1) of chain 0 residue 53 (LYS)>,
 <Atom 871 (HZ2) of chain 0 residue 53 (LYS)>,
 <Atom 872 (HZ3) of chain 0 residue 53 (LYS)>,
 <Atom 873 (NZ) of chain 0 residue 53 (LYS)>,
 <Atom 874 (HA) of chain 0 residue 53 (LYS)>,
 <Atom 875 (HE2) of chain 0 residue 53 (LYS)>,
 <Atom 876 (HE3) of chain 0 residue 53 (LYS)>,
 <Atom 877 (HG2) of chain 0 residue 53 (LYS)>,
 <Atom 878 (HG3) of chain 0 residue 53 (LYS)>,
 <Atom 879 (HD3) of chain 0 residue 53 (LYS)>,
 <Atom 880 (HD2) of chain 0 residue 53 (LYS)>,
 <Atom 881 (HB3) of chain 0 residue 53 (LYS)>,
 <Atom 882 (HB2) of chain 0 residue 53 (LYS)>,
 <Atom 883 (N) of chain 0 residue 54 (ASP)>,
 <Atom 884 (CA) of chain 0 residue 54 (ASP)>,
 <Atom 885 (C) of chain 0 residue 54 (ASP)>,
 <Atom 886 (O) of chain 0 residue 54 (ASP)>,
 <Atom 887 (H) of chain 0 residue 54 (ASP)>,
 <Atom 888 (CB) of chain 0 residue 54 (ASP)>,
 <Atom 889 (CG) of chain 0 residue 54 (ASP)>,
 <Atom 890 (OD1) of chain 0 residue 54 (ASP)>,
 <Atom 891 (OD2) of chain 0 residue 54 (ASP)>,
 <Atom 892 (HA) of chain 0 residue 54 (ASP)>,
 <Atom 893 (HB3) of chain 0 residue 54 (ASP)>,
 <Atom 894 (HB2) of chain 0 residue 54 (ASP)>,
 <Atom 895 (N) of chain 0 residue 55 (GLU)>,
 <Atom 896 (CA) of chain 0 residue 55 (GLU)>,
 <Atom 897 (C) of chain 0 residue 55 (GLU)>,
 <Atom 898 (O) of chain 0 residue 55 (GLU)>,
 <Atom 899 (H) of chain 0 residue 55 (GLU)>,
 <Atom 900 (CB) of chain 0 residue 55 (GLU)>,
 <Atom 901 (CD) of chain 0 residue 55 (GLU)>,
 <Atom 902 (CG) of chain 0 residue 55 (GLU)>,
 <Atom 903 (OE1) of chain 0 residue 55 (GLU)>,
 <Atom 904 (OE2) of chain 0 residue 55 (GLU)>,
 <Atom 905 (HG2) of chain 0 residue 55 (GLU)>,
 <Atom 906 (HA) of chain 0 residue 55 (GLU)>,
 <Atom 907 (HG3) of chain 0 residue 55 (GLU)>,
 <Atom 908 (HB3) of chain 0 residue 55 (GLU)>,
 <Atom 909 (HB2) of chain 0 residue 55 (GLU)>,
 <Atom 910 (N) of chain 0 residue 56 (TYR)>,
 <Atom 911 (CA) of chain 0 residue 56 (TYR)>,
 <Atom 912 (C) of chain 0 residue 56 (TYR)>,
 <Atom 913 (O) of chain 0 residue 56 (TYR)>,
 <Atom 914 (H) of chain 0 residue 56 (TYR)>,
 <Atom 915 (CB) of chain 0 residue 56 (TYR)>,
 <Atom 916 (CG) of chain 0 residue 56 (TYR)>,
 <Atom 917 (OH) of chain 0 residue 56 (TYR)>,
 <Atom 918 (CZ) of chain 0 residue 56 (TYR)>,
 <Atom 919 (CD1) of chain 0 residue 56 (TYR)>,
 <Atom 920 (CE1) of chain 0 residue 56 (TYR)>,
 <Atom 921 (CD2) of chain 0 residue 56 (TYR)>,
 <Atom 922 (CE2) of chain 0 residue 56 (TYR)>,
 <Atom 923 (HA) of chain 0 residue 56 (TYR)>,
 <Atom 924 (HE1) of chain 0 residue 56 (TYR)>,
 <Atom 925 (HE2) of chain 0 residue 56 (TYR)>,
 <Atom 926 (HD2) of chain 0 residue 56 (TYR)>,
 <Atom 927 (HD1) of chain 0 residue 56 (TYR)>,
 <Atom 928 (HB3) of chain 0 residue 56 (TYR)>,
 <Atom 929 (HB2) of chain 0 residue 56 (TYR)>,
 <Atom 930 (HH) of chain 0 residue 56 (TYR)>,
 <Atom 931 (N) of chain 0 residue 57 (ALA)>,
 <Atom 932 (CA) of chain 0 residue 57 (ALA)>,
 <Atom 933 (C) of chain 0 residue 57 (ALA)>,
 <Atom 934 (O) of chain 0 residue 57 (ALA)>,
 <Atom 935 (H) of chain 0 residue 57 (ALA)>,
 <Atom 936 (CB) of chain 0 residue 57 (ALA)>,
 <Atom 937 (HA) of chain 0 residue 57 (ALA)>,
 <Atom 938 (HB1) of chain 0 residue 57 (ALA)>,
 <Atom 939 (HB3) of chain 0 residue 57 (ALA)>,
 <Atom 940 (HB2) of chain 0 residue 57 (ALA)>,
 <Atom 941 (N) of chain 0 residue 58 (CYS)>,
 <Atom 942 (CA) of chain 0 residue 58 (CYS)>,
 <Atom 943 (C) of chain 0 residue 58 (CYS)>,
 <Atom 944 (O) of chain 0 residue 58 (CYS)>,
 <Atom 945 (H) of chain 0 residue 58 (CYS)>,
 <Atom 946 (CB) of chain 0 residue 58 (CYS)>,
 <Atom 947 (SG) of chain 0 residue 58 (CYS)>,
 <Atom 948 (HA) of chain 0 residue 58 (CYS)>,
 <Atom 949 (HB3) of chain 0 residue 58 (CYS)>,
 <Atom 950 (HB2) of chain 0 residue 58 (CYS)>,
 <Atom 951 (HG) of chain 0 residue 58 (CYS)>,
 <Atom 952 (N) of chain 0 residue 59 (ARG)>,
 <Atom 953 (CA) of chain 0 residue 59 (ARG)>,
 <Atom 954 (C) of chain 0 residue 59 (ARG)>,
 <Atom 955 (O) of chain 0 residue 59 (ARG)>,
 <Atom 956 (H) of chain 0 residue 59 (ARG)>,
 <Atom 957 (CB) of chain 0 residue 59 (ARG)>,
 <Atom 958 (CD) of chain 0 residue 59 (ARG)>,
 <Atom 959 (HE) of chain 0 residue 59 (ARG)>,
 <Atom 960 (NE) of chain 0 residue 59 (ARG)>,
 <Atom 961 (CG) of chain 0 residue 59 (ARG)>,
 <Atom 962 (CZ) of chain 0 residue 59 (ARG)>,
 <Atom 963 (HH11) of chain 0 residue 59 (ARG)>,
 <Atom 964 (HH12) of chain 0 residue 59 (ARG)>,
 <Atom 965 (NH1) of chain 0 residue 59 (ARG)>,
 <Atom 966 (HH21) of chain 0 residue 59 (ARG)>,
 <Atom 967 (HH22) of chain 0 residue 59 (ARG)>,
 <Atom 968 (NH2) of chain 0 residue 59 (ARG)>,
 <Atom 969 (HG3) of chain 0 residue 59 (ARG)>,
 <Atom 970 (HA) of chain 0 residue 59 (ARG)>,
 <Atom 971 (HG2) of chain 0 residue 59 (ARG)>,
 <Atom 972 (HD3) of chain 0 residue 59 (ARG)>,
 <Atom 973 (HD2) of chain 0 residue 59 (ARG)>,
 <Atom 974 (HB3) of chain 0 residue 59 (ARG)>,
 <Atom 975 (HB2) of chain 0 residue 59 (ARG)>,
 <Atom 976 (N) of chain 0 residue 60 (VAL)>,
 <Atom 977 (CA) of chain 0 residue 60 (VAL)>,
 <Atom 978 (C) of chain 0 residue 60 (VAL)>,
 <Atom 979 (O) of chain 0 residue 60 (VAL)>,
 <Atom 980 (H) of chain 0 residue 60 (VAL)>,
 <Atom 981 (CB) of chain 0 residue 60 (VAL)>,
 <Atom 982 (CG1) of chain 0 residue 60 (VAL)>,
 <Atom 983 (CG2) of chain 0 residue 60 (VAL)>,
 <Atom 984 (HA) of chain 0 residue 60 (VAL)>,
 <Atom 985 (HG11) of chain 0 residue 60 (VAL)>,
 <Atom 986 (HG21) of chain 0 residue 60 (VAL)>,
 <Atom 987 (HB) of chain 0 residue 60 (VAL)>,
 <Atom 988 (HG12) of chain 0 residue 60 (VAL)>,
 <Atom 989 (HG13) of chain 0 residue 60 (VAL)>,
 <Atom 990 (HG23) of chain 0 residue 60 (VAL)>,
 <Atom 991 (HG22) of chain 0 residue 60 (VAL)>,
 <Atom 992 (N) of chain 0 residue 61 (ASN)>,
 <Atom 993 (CA) of chain 0 residue 61 (ASN)>,
 <Atom 994 (C) of chain 0 residue 61 (ASN)>,
 <Atom 995 (O) of chain 0 residue 61 (ASN)>,
 <Atom 996 (H) of chain 0 residue 61 (ASN)>,
 <Atom 997 (CB) of chain 0 residue 61 (ASN)>,
 <Atom 998 (CG) of chain 0 residue 61 (ASN)>,
 <Atom 999 (HA) of chain 0 residue 61 (ASN)>,
 ...]

















In [10]:



    


b = list(a.residues())



    











In [12]:



    


c = b[0]



    











In [26]:



    


c.index



    


















    
Out[26]:








1

















In [16]:



    


list(c.atoms())



    


















    
Out[16]:








[<Atom 0 (N) of chain 0 residue 0 (PHE)>,
 <Atom 1 (CA) of chain 0 residue 0 (PHE)>,
 <Atom 2 (C) of chain 0 residue 0 (PHE)>,
 <Atom 3 (O) of chain 0 residue 0 (PHE)>,
 <Atom 4 (H) of chain 0 residue 0 (PHE)>,
 <Atom 5 (H2) of chain 0 residue 0 (PHE)>,
 <Atom 6 (H3) of chain 0 residue 0 (PHE)>,
 <Atom 7 (CB) of chain 0 residue 0 (PHE)>,
 <Atom 8 (CG) of chain 0 residue 0 (PHE)>,
 <Atom 9 (CZ) of chain 0 residue 0 (PHE)>,
 <Atom 10 (CD1) of chain 0 residue 0 (PHE)>,
 <Atom 11 (CE1) of chain 0 residue 0 (PHE)>,
 <Atom 12 (CD2) of chain 0 residue 0 (PHE)>,
 <Atom 13 (CE2) of chain 0 residue 0 (PHE)>,
 <Atom 14 (HZ) of chain 0 residue 0 (PHE)>,
 <Atom 15 (HA) of chain 0 residue 0 (PHE)>,
 <Atom 16 (HE1) of chain 0 residue 0 (PHE)>,
 <Atom 17 (HE2) of chain 0 residue 0 (PHE)>,
 <Atom 18 (HD2) of chain 0 residue 0 (PHE)>,
 <Atom 19 (HD1) of chain 0 residue 0 (PHE)>,
 <Atom 20 (HB3) of chain 0 residue 0 (PHE)>,
 <Atom 21 (HB2) of chain 0 residue 0 (PHE)>]

Content source: luwei0917/awsemmd_script

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