#rosetta residue topology file
#neutral GLU by Krishna
#partial charges from CHARMM27
NAME GLU_H
#VARIANT PROTONATED
IO_STRING GLH E
TYPE POLYMER #residue type
AA GLH
ROTAMER_AA GLU
ATOM  N   Nbb  NH1  -0.47
ATOM  CA  CAbb CT1  0.07
ATOM  C   CObb C    0.51
ATOM  O   OCbb O    -0.51
ATOM  CB  CH2  CT2  -0.18
ATOM  CG  CH2  CT2  -0.28
ATOM  CD  COO  CC   0.75
ATOM  OE1 OH   OH1  -0.61
ATOM  OE2 OOC  OC   -0.55
ATOM  H   HNbb H   0.31
ATOM  HA  Hapo HB   0.09
ATOM 1HB  Hapo HA   0.09
ATOM 2HB  Hapo HA   0.09
ATOM 1HG  Hapo HA   0.09
ATOM 2HG  Hapo HA   0.09
ATOM  HE1 Hpol H   0.44
LOWER_CONNECT N
UPPER_CONNECT C
BOND  N    CA 
BOND  N    H  
BOND  CA   C  
BOND  CA   CB 
BOND  CA   HA 
BOND  C    O  
BOND  CB   CG 
BOND  CB  1HB 
BOND  CB  2HB 
BOND  CG   CD 
BOND  CG  1HG 
BOND  CG  2HG 
BOND  CD   OE1
BOND  CD   OE2
BOND  OE1  HE1
CHI 1  N    CA   CB   CG 
CHI 2  CA   CB   CG   CD 
CHI 3  CB   CG   CD   OE1
CHI 4  CG   CD   OE1  HE1
PROTON_CHI 4 SAMPLES 3 60 -60 180 EXTRA 1 20
PROPERTIES PROTEIN POLAR
NBR_ATOM CB
# APL CB to furthest side chain heavy atom distance -- max as observed from res 74 on ubiquitin
NBR_RADIUS 3.6154
FIRST_SIDECHAIN_ATOM CB
ACT_COORD_ATOMS CD OE1 OE2 END
ICOOR_INTERNAL    N      0.000000    0.000000    0.000000   N     CA    C  
ICOOR_INTERNAL    CA     0.000000  180.000000    1.458001   N     CA    C  
ICOOR_INTERNAL    C      0.000000   68.800003    1.523258   CA    N     C  
ICOOR_INTERNAL  UPPER  150.000015   63.800011    1.328685   C     CA    N  
ICOOR_INTERNAL    O    179.999985   59.200005    1.231016   C     CA  UPPER
ICOOR_INTERNAL    CB  -122.572418   69.506516    1.530319   CA    N     C  
ICOOR_INTERNAL    CG    -0.000013   65.603104    1.522108   CB    CA    N  
ICOOR_INTERNAL    CD    -0.000003   68.694252    1.503358   CG    CB    CA 
ICOOR_INTERNAL    OE1   -0.000008   61.553535    1.207582   CD    CG    CB 
ICOOR_INTERNAL    OE2  173.864563   61.637760    1.208542   CD    CG    OE1
ICOOR_INTERNAL   1HG   123.926323   66.551559    1.089692   CG    CB    CD 
ICOOR_INTERNAL   2HG   118.538139   76.395332    1.089106   CG    CB   1HG 
ICOOR_INTERNAL   1HB   121.336617   73.025650    1.090146   CB    CA    CG 
ICOOR_INTERNAL   2HB   117.274803   72.986382    1.090060   CB    CA   1HB 
ICOOR_INTERNAL    HA  -119.807732   70.180290    1.090506   CA    N     CB 
ICOOR_INTERNAL  LOWER -149.999985   58.299995    1.328685   N     CA    C  
ICOOR_INTERNAL    H   -180.000000   60.850025    1.010000   N     CA  LOWER
ICOOR_INTERNAL    HE1   -0.000024   70.564766    0.960175   OE1   CD    CG      #co-ordinates from SER H used