Complet list of 1rqt con file
Complete list of 1rqt.con file
COMMENT BEGIN
#########################################################################
COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 152
C A 0001 SER CA 3.785 C A 0002 ILE CA
C A 0001 SER C 2.419 C A 0002 ILE CA
C A 0001 SER C 3.342 C A 0002 ILE C
C A 0001 SER C 3.543 C A 0002 ILE CB
C A 0001 SER C 3.581 C A 0002 ILE CG1
C A 0002 ILE CA 3.785 H A 0003 THR CA
C A 0002 ILE C 2.419 H A 0003 THR CA
C A 0002 ILE C 3.172 H A 0003 THR C
C A 0002 ILE C 3.626 H A 0003 THR CB
H A 0003 THR CA 3.785 H A 0004 LYS CA
H A 0003 THR C 2.419 H A 0004 LYS CA
H A 0003 THR C 2.915 H A 0004 LYS C
H A 0003 THR C 3.706 H A 0004 LYS CB
H A 0004 LYS CA 3.785 H A 0005 ASP CA
H A 0004 LYS C 2.419 H A 0005 ASP CA
H A 0004 LYS C 2.953 H A 0005 ASP C
H A 0004 LYS C 3.713 H A 0005 ASP CB
H A 0005 ASP CA 3.784 H A 0006 GLN CA
H A 0005 ASP C 2.418 H A 0006 GLN CA
H A 0005 ASP C 2.917 H A 0006 GLN C
H A 0005 ASP C 3.711 H A 0006 GLN CB
H A 0006 GLN CA 3.784 H A 0007 ILE CA
H A 0006 GLN C 2.418 H A 0007 ILE CA
H A 0006 GLN C 3.109 H A 0007 ILE C
H A 0006 GLN C 3.669 H A 0007 ILE CB
H A 0007 ILE CA 3.785 H A 0008 ILE CA
H A 0007 ILE C 2.419 H A 0008 ILE CA
H A 0007 ILE C 2.929 H A 0008 ILE C
H A 0007 ILE C 3.706 H A 0008 ILE CB
H A 0007 ILE C 3.734 H A 0010 ALA CB
H A 0008 ILE CA 3.784 H A 0009 GLU CA
H A 0008 ILE C 2.419 H A 0009 GLU CA
H A 0008 ILE C 3.016 H A 0009 GLU C
H A 0008 ILE C 3.706 H A 0009 GLU CB
H A 0009 GLU CA 3.785 H A 0010 ALA CA
H A 0009 GLU C 2.418 H A 0010 ALA CA
H A 0009 GLU C 3.091 H A 0010 ALA C
H A 0009 GLU C 3.668 H A 0010 ALA CB
H A 0010 ALA CA 3.785 H A 0011 VAL CA
H A 0010 ALA C 2.419 H A 0011 VAL CA
H A 0010 ALA C 3.032 H A 0011 VAL C
H A 0010 ALA C 3.687 H A 0011 VAL CB
H A 0011 VAL CA 3.785 H A 0012 ALA CA
H A 0011 VAL C 2.419 H A 0012 ALA CA
H A 0011 VAL C 3.202 H A 0012 ALA C
H A 0011 VAL C 3.628 H A 0012 ALA CB
H A 0011 VAL CG1 3.695 H A 0019 VAL CG1
H A 0012 ALA CA 3.785 C A 0013 ALA CA
H A 0012 ALA C 2.419 C A 0013 ALA CA
H A 0012 ALA C 3.325 C A 0013 ALA C
H A 0012 ALA C 3.556 C A 0013 ALA CB
C A 0013 ALA CA 3.785 C A 0014 MET CA
C A 0013 ALA C 2.419 C A 0014 MET CA
C A 0013 ALA C 3.358 C A 0014 MET C
C A 0013 ALA C 3.567 C A 0014 MET CB
C A 0013 ALA C 3.743 C A 0014 MET CG
C A 0014 MET CA 3.785 H A 0015 SER CA
C A 0014 MET C 2.419 H A 0015 SER CA
C A 0014 MET C 3.110 H A 0015 SER C
C A 0014 MET C 3.689 H A 0015 SER CB
C A 0014 MET CB 3.766 H A 0018 ASP CG
H A 0015 SER CA 3.785 H A 0016 VAL CA
H A 0015 SER C 2.419 H A 0016 VAL CA
H A 0015 SER C 2.923 H A 0016 VAL C
H A 0015 SER C 3.700 H A 0016 VAL CB
H A 0016 VAL CA 3.785 H A 0017 MET CA
H A 0016 VAL C 2.418 H A 0017 MET CA
H A 0016 VAL C 2.955 H A 0017 MET C
H A 0016 VAL C 3.693 H A 0017 MET CB
H A 0017 MET CA 3.785 H A 0018 ASP CA
H A 0017 MET C 2.419 H A 0018 ASP CA
H A 0017 MET C 2.966 H A 0018 ASP C
H A 0017 MET C 3.713 H A 0018 ASP CB
H A 0018 ASP CA 3.784 H A 0019 VAL CA
H A 0018 ASP C 2.418 H A 0019 VAL CA
H A 0018 ASP C 3.152 H A 0019 VAL C
H A 0018 ASP C 3.650 H A 0019 VAL CB
H A 0019 VAL CA 3.786 H A 0020 VAL CA
H A 0019 VAL C 2.419 H A 0020 VAL CA
H A 0019 VAL C 3.012 H A 0020 VAL C
H A 0019 VAL C 3.692 H A 0020 VAL CB
H A 0019 VAL CG1 3.669 H A 0023 ILE CD1
H A 0020 VAL CA 3.785 H A 0021 GLU CA
H A 0020 VAL C 2.419 H A 0021 GLU CA
H A 0020 VAL C 3.031 H A 0021 GLU C
H A 0020 VAL C 3.704 H A 0021 GLU CB
H A 0021 GLU CA 3.785 H A 0022 LEU CA
H A 0021 GLU C 2.419 H A 0022 LEU CA
H A 0021 GLU C 2.900 H A 0022 LEU C
H A 0021 GLU C 3.705 H A 0022 LEU CB
H A 0022 LEU CA 3.784 H A 0023 ILE CA
H A 0022 LEU C 2.419 H A 0023 ILE CA
H A 0022 LEU C 2.923 H A 0023 ILE C
H A 0022 LEU C 3.706 H A 0023 ILE CB
H A 0023 ILE CA 3.784 H A 0024 SER CA
H A 0023 ILE C 2.418 H A 0024 SER CA
H A 0023 ILE C 2.967 H A 0024 SER C
H A 0023 ILE C 3.713 H A 0024 SER CB
H A 0024 SER CA 3.785 H A 0025 ALA CA
H A 0024 SER C 2.419 H A 0025 ALA CA
H A 0024 SER C 2.944 H A 0025 ALA C
H A 0024 SER C 3.693 H A 0025 ALA CB
H A 0025 ALA CA 3.785 H A 0026 MET CA
H A 0025 ALA C 2.419 H A 0026 MET CA
H A 0025 ALA C 2.944 H A 0026 MET C
H A 0025 ALA C 3.693 H A 0026 MET CB
H A 0026 MET CA 3.785 H A 0027 GLU CA
H A 0026 MET C 2.419 H A 0027 GLU CA
H A 0026 MET C 2.888 H A 0027 GLU C
H A 0026 MET C 3.708 H A 0027 GLU CB
H A 0026 MET CA 3.749 H A 0030 PHE CD2
H A 0027 GLU CA 3.784 H A 0028 GLU CA
H A 0027 GLU C 2.419 H A 0028 GLU CA
H A 0027 GLU C 3.108 H A 0028 GLU C
H A 0027 GLU C 3.688 H A 0028 GLU CB
H A 0028 GLU CA 3.785 H A 0029 LYS CA
H A 0028 GLU C 2.419 H A 0029 LYS CA
H A 0028 GLU C 2.888 H A 0029 LYS C
H A 0028 GLU C 3.706 H A 0029 LYS CB
H A 0029 LYS CA 3.785 H A 0030 PHE CA
H A 0029 LYS C 2.418 H A 0030 PHE CA
H A 0029 LYS C 3.108 H A 0030 PHE C
H A 0029 LYS C 3.652 H A 0030 PHE CB
H A 0030 PHE CA 3.785 C A 0031 GLY CA
H A 0030 PHE C 2.419 C A 0031 GLY CA
H A 0030 PHE C 2.867 C A 0031 GLY C
H A 0030 PHE C 3.723 C A 0032 VAL CG2
C A 0031 GLY CA 3.785 C A 0032 VAL CA
C A 0031 GLY C 2.419 C A 0032 VAL CA
C A 0031 GLY C 3.500 C A 0032 VAL C
C A 0031 GLY C 3.398 C A 0032 VAL CB
C A 0031 GLY C 3.379 C A 0032 VAL CG2
C A 0032 VAL CA 3.785 C A 0033 SER CA
C A 0032 VAL C 2.418 C A 0033 SER CA
C A 0032 VAL C 3.446 C A 0033 SER C
C A 0032 VAL C 3.496 C A 0033 SER CB
C A 0033 SER CA 3.785 C A 0034 ALA CA
C A 0033 SER C 2.418 C A 0034 ALA CA
C A 0033 SER C 3.590 C A 0034 ALA C
C A 0033 SER C 3.270 C A 0034 ALA CB
C A 0034 ALA CA 3.785 C A 0035 ALA CA
C A 0034 ALA C 2.419 C A 0035 ALA CA
C A 0034 ALA C 3.678 C A 0035 ALA C
C A 0034 ALA C 3.049 C A 0035 ALA CB
C A 0035 ALA CA 3.785 C A 0036 ALA CA
C A 0035 ALA C 2.419 C A 0036 ALA CA
C A 0035 ALA C 2.892 C A 0036 ALA C
C A 0035 ALA C 3.049 C A 0036 ALA CB
C A 0036 ALA CA 3.784 C A 0037 ALA CA
C A 0036 ALA C 2.418 C A 0037 ALA CA
C A 0036 ALA C 2.953 C A 0037 ALA C
C A 0036 ALA C 3.693 C A 0037 ALA CB
CHARGE_ATTR 2.00 12.00 4
H A 0005 ASP OD1 7.501 H A 0004 LYS NZ
H A 0005 ASP OD2 8.881 H A 0004 LYS NZ
H A 0028 GLU OE1 10.63 H A 0029 LYS NZ
H A 0028 GLU OE2 9.290 H A 0029 LYS NZ
CHARGE_REPU 2.00 12.00 20
H A 0005 ASP OD1 8.958 H A 0009 GLU OE1
H A 0005 ASP OD1 9.037 H A 0009 GLU OE2
H A 0005 ASP OD2 8.441 H A 0009 GLU OE1
H A 0005 ASP OD2 8.123 H A 0009 GLU OE2
H A 0018 ASP OD1 8.266 H A 0021 GLU OE1
H A 0018 ASP OD1 8.939 H A 0021 GLU OE2
H A 0018 ASP OD2 8.842 H A 0021 GLU OE1
H A 0018 ASP OD2 9.743 H A 0021 GLU OE2
H A 0021 GLU OE1 11.45 H A 0027 GLU OE1
H A 0021 GLU OE1 11.15 H A 0027 GLU OE2
H A 0021 GLU OE2 9.811 H A 0027 GLU OE1
H A 0021 GLU OE2 9.548 H A 0027 GLU OE2
H A 0021 GLU OE1 10.50 H A 0028 GLU OE1
H A 0021 GLU OE1 10.40 H A 0028 GLU OE2
H A 0021 GLU OE2 9.839 H A 0028 GLU OE1
H A 0021 GLU OE2 10.21 H A 0028 GLU OE2
H A 0027 GLU OE1 8.024 H A 0028 GLU OE1
H A 0027 GLU OE1 9.901 H A 0028 GLU OE2
H A 0027 GLU OE2 9.676 H A 0028 GLU OE1
H A 0027 GLU OE2 11.34 H A 0028 GLU OE2
HB_MM 2.00 3.20 73
C A 0002 ILE N 2.261 C A 0001 SER O
H A 0003 THR N 2.262 C A 0002 ILE O
H A 0004 LYS N 2.262 H A 0003 THR O
H A 0005 ASP N 2.261 H A 0004 LYS O
H A 0006 GLN N 2.982 H A 0003 THR O
H A 0006 GLN N 2.262 H A 0005 ASP O
H A 0007 ILE N 2.950 H A 0004 LYS O
H A 0007 ILE N 2.912 H A 0005 ASP O
H A 0007 ILE N 2.262 H A 0006 GLN O
H A 0008 ILE N 2.701 H A 0005 ASP O
H A 0008 ILE N 2.261 H A 0007 ILE O
H A 0009 GLU N 3.168 H A 0005 ASP O
H A 0009 GLU N 2.261 H A 0008 ILE O
H A 0010 ALA N 2.840 H A 0007 ILE O
H A 0010 ALA N 3.045 H A 0008 ILE O
H A 0010 ALA N 2.262 H A 0009 GLU O
H A 0011 VAL N 3.158 H A 0007 ILE O
H A 0011 VAL N 3.049 H A 0008 ILE O
H A 0011 VAL N 2.262 H A 0010 ALA O
H A 0012 ALA N 3.139 H A 0008 ILE O
H A 0012 ALA N 2.262 H A 0011 VAL O
C A 0013 ALA N 3.030 H A 0010 ALA O
C A 0013 ALA N 2.262 H A 0012 ALA O
C A 0014 MET N 2.261 C A 0013 ALA O
H A 0015 SER N 2.262 C A 0014 MET O
H A 0016 VAL N 2.261 H A 0015 SER O
H A 0017 MET N 2.262 H A 0016 VAL O
H A 0018 ASP N 3.076 H A 0015 SER O
H A 0018 ASP N 2.262 H A 0017 MET O
H A 0019 VAL N 3.092 H A 0015 SER O
H A 0019 VAL N 2.820 H A 0016 VAL O
H A 0019 VAL N 3.102 H A 0017 MET O
H A 0019 VAL N 2.261 H A 0018 ASP O
H A 0020 VAL N 2.838 H A 0016 VAL O
H A 0020 VAL N 2.930 H A 0017 MET O
H A 0020 VAL N 2.262 H A 0019 VAL O
H A 0021 GLU N 3.150 H A 0017 MET O
H A 0021 GLU N 2.260 H A 0020 VAL O
H A 0022 LEU N 2.261 H A 0021 GLU O
H A 0023 ILE N 2.892 H A 0019 VAL O
H A 0023 ILE N 2.262 H A 0022 LEU O
H A 0024 SER N 2.824 H A 0020 VAL O
H A 0024 SER N 3.128 H A 0021 GLU O
H A 0024 SER N 3.127 H A 0022 LEU O
H A 0024 SER N 2.262 H A 0023 ILE O
H A 0025 ALA N 2.832 H A 0021 GLU O
H A 0025 ALA N 2.901 H A 0022 LEU O
H A 0025 ALA N 2.262 H A 0024 SER O
H A 0026 MET N 3.165 H A 0022 LEU O
H A 0026 MET N 2.261 H A 0025 ALA O
H A 0027 GLU N 2.835 H A 0023 ILE O
H A 0027 GLU N 2.261 H A 0026 MET O
H A 0028 GLU N 3.167 H A 0024 SER O
H A 0028 GLU N 3.063 H A 0025 ALA O
H A 0028 GLU N 3.167 H A 0026 MET O
H A 0028 GLU N 2.262 H A 0027 GLU O
H A 0029 LYS N 2.733 H A 0025 ALA O
H A 0029 LYS N 3.193 H A 0026 MET O
H A 0029 LYS N 2.262 H A 0028 GLU O
H A 0030 PHE N 2.723 H A 0026 MET O
H A 0030 PHE N 2.262 H A 0029 LYS O
C A 0031 GLY N 2.885 H A 0027 GLU O
C A 0031 GLY N 2.954 H A 0028 GLU O
C A 0031 GLY N 3.082 H A 0029 LYS O
C A 0031 GLY N 2.261 H A 0030 PHE O
C A 0032 VAL N 2.956 H A 0027 GLU O
C A 0032 VAL N 3.066 H A 0030 PHE O
C A 0032 VAL N 2.262 C A 0031 GLY O
C A 0033 SER N 2.261 C A 0032 VAL O
C A 0034 ALA N 2.261 C A 0033 SER O
C A 0035 ALA N 2.262 C A 0034 ALA O
C A 0036 ALA N 2.261 C A 0035 ALA O
C A 0037 ALA N 2.262 C A 0036 ALA O
HB_MS 2.00 3.20 1
H A 0020 VAL O 2.749 H A 0024 SER OG
COMMENT BEGIN
#########################################################################
COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "B"
HYDROPHOBIC 2.00 3.80 22
H A 0004 LYS CD 3.604 H B 0018 ASP CG
H A 0004 LYS CE 3.732 H B 0018 ASP CG
H A 0008 ILE CD1 3.230 H B 0025 ALA CB
H A 0011 VAL CG2 3.347 H B 0026 MET CE
H A 0011 VAL CG1 3.619 H B 0030 PHE CE2
H A 0011 VAL CG1 3.488 H B 0030 PHE CZ
H A 0012 ALA CA 3.711 H B 0030 PHE CZ
H A 0012 ALA CB 3.546 H B 0030 PHE CZ
H A 0018 ASP CG 3.717 H B 0004 LYS CD
H A 0022 LEU CD1 3.791 H B 0004 LYS CA
H A 0022 LEU CD1 3.753 H B 0004 LYS CG
H A 0025 ALA CB 3.535 H B 0008 ILE CD1
H A 0026 MET CG 3.349 H B 0008 ILE CD1
H A 0026 MET CE 3.744 H B 0008 ILE CD1
H A 0026 MET CE 3.245 H B 0011 VAL CG2
H A 0030 PHE CE2 3.710 H B 0011 VAL CG1
H A 0030 PHE CZ 3.571 H B 0011 VAL C
H A 0030 PHE CZ 3.574 H B 0011 VAL CG1
H A 0030 PHE CE1 3.796 H B 0012 ALA CA
H A 0030 PHE CE1 3.723 H B 0012 ALA CB
H A 0030 PHE CZ 3.488 H B 0012 ALA CA
H A 0030 PHE CZ 3.354 H B 0012 ALA CB
CHARGE_ATTR 2.00 12.00 16
H A 0004 LYS NZ 5.087 H B 0018 ASP OD1
H A 0004 LYS NZ 4.557 H B 0018 ASP OD2
H A 0004 LYS NZ 6.021 H B 0021 GLU OE1
H A 0004 LYS NZ 4.359 H B 0021 GLU OE2
H A 0005 ASP OD1 9.823 H B 0029 LYS NZ
H A 0005 ASP OD2 9.902 H B 0029 LYS NZ
H A 0009 GLU OE1 6.172 H B 0029 LYS NZ
H A 0009 GLU OE2 8.130 H B 0029 LYS NZ
H A 0018 ASP OD1 3.608 H B 0004 LYS NZ
H A 0018 ASP OD2 2.815 H B 0004 LYS NZ
H A 0021 GLU OE1 9.705 H B 0004 LYS NZ
H A 0021 GLU OE2 11.03 H B 0004 LYS NZ
H A 0029 LYS NZ 10.40 H B 0005 ASP OD1
H A 0029 LYS NZ 8.266 H B 0005 ASP OD2
H A 0029 LYS NZ 9.464 H B 0009 GLU OE1
H A 0029 LYS NZ 10.65 H B 0009 GLU OE2
CHARGE_REPU 2.00 12.00 22
H A 0005 ASP OD1 10.14 H B 0018 ASP OD1
H A 0005 ASP OD1 10.67 H B 0018 ASP OD2
H A 0005 ASP OD2 11.88 H B 0018 ASP OD1
H A 0005 ASP OD1 8.469 H B 0021 GLU OE1
H A 0005 ASP OD1 8.240 H B 0021 GLU OE2
H A 0005 ASP OD2 10.15 H B 0021 GLU OE1
H A 0005 ASP OD2 9.706 H B 0021 GLU OE2
H A 0005 ASP OD1 11.37 H B 0028 GLU OE1
H A 0005 ASP OD1 10.64 H B 0028 GLU OE2
H A 0005 ASP OD2 11.43 H B 0028 GLU OE2
H A 0018 ASP OD1 9.803 H B 0005 ASP OD1
H A 0018 ASP OD1 11.46 H B 0005 ASP OD2
H A 0018 ASP OD2 10.38 H B 0005 ASP OD1
H A 0021 GLU OE1 7.579 H B 0005 ASP OD1
H A 0021 GLU OE1 8.920 H B 0005 ASP OD2
H A 0021 GLU OE2 9.485 H B 0005 ASP OD1
H A 0021 GLU OE2 10.59 H B 0005 ASP OD2
H A 0027 GLU OE2 11.07 H B 0027 GLU OE1
H A 0027 GLU OE2 11.76 H B 0027 GLU OE2
H A 0028 GLU OE1 11.95 H B 0005 ASP OD2
H A 0028 GLU OE2 11.50 H B 0005 ASP OD1
H A 0028 GLU OE2 10.56 H B 0005 ASP OD2
COMMENT BEGIN
#########################################################################
COMMENT END
CONTACTS BETWEEN
CHAIN(S) "B"
AND
CHAIN(S) "B"
HYDROPHOBIC 2.00 3.80 149
C B 0001 SER CA 3.785 C B 0002 ILE CA
C B 0001 SER C 2.419 C B 0002 ILE CA
C B 0001 SER C 3.297 C B 0002 ILE C
C B 0001 SER C 3.575 C B 0002 ILE CB
C B 0001 SER C 3.651 C B 0002 ILE CG1
C B 0002 ILE CA 3.785 H B 0003 THR CA
C B 0002 ILE C 2.419 H B 0003 THR CA
C B 0002 ILE C 3.211 H B 0003 THR C
C B 0002 ILE C 3.609 H B 0003 THR CB
H B 0003 THR CA 3.785 H B 0004 LYS CA
H B 0003 THR C 2.419 H B 0004 LYS CA
H B 0003 THR C 2.913 H B 0004 LYS C
H B 0003 THR C 3.706 H B 0004 LYS CB
H B 0004 LYS CA 3.784 H B 0005 ASP CA
H B 0004 LYS C 2.419 H B 0005 ASP CA
H B 0004 LYS C 2.945 H B 0005 ASP C
H B 0004 LYS C 3.713 H B 0005 ASP CB
H B 0005 ASP CA 3.785 H B 0006 GLN CA
H B 0005 ASP C 2.418 H B 0006 GLN CA
H B 0005 ASP C 2.947 H B 0006 GLN C
H B 0005 ASP C 3.712 H B 0006 GLN CB
H B 0005 ASP CA 3.792 H B 0008 ILE CG1
H B 0006 GLN CA 3.784 H B 0007 ILE CA
H B 0006 GLN C 2.418 H B 0007 ILE CA
H B 0006 GLN C 3.133 H B 0007 ILE C
H B 0006 GLN C 3.659 H B 0007 ILE CB
H B 0006 GLN C 3.710 H B 0009 GLU CG
H B 0007 ILE CA 3.786 H B 0008 ILE CA
H B 0007 ILE C 2.420 H B 0008 ILE CA
H B 0007 ILE C 2.953 H B 0008 ILE C
H B 0007 ILE C 3.704 H B 0008 ILE CB
H B 0007 ILE C 3.684 H B 0010 ALA CB
H B 0008 ILE CA 3.785 H B 0009 GLU CA
H B 0008 ILE C 2.419 H B 0009 GLU CA
H B 0008 ILE C 3.026 H B 0009 GLU C
H B 0008 ILE C 3.705 H B 0009 GLU CB
H B 0009 GLU CA 3.786 H B 0010 ALA CA
H B 0009 GLU C 2.419 H B 0010 ALA CA
H B 0009 GLU C 3.089 H B 0010 ALA C
H B 0009 GLU C 3.669 H B 0010 ALA CB
H B 0010 ALA CA 3.786 H B 0011 VAL CA
H B 0010 ALA C 2.419 H B 0011 VAL CA
H B 0010 ALA C 3.115 H B 0011 VAL C
H B 0010 ALA C 3.664 H B 0011 VAL CB
H B 0011 VAL CA 3.785 H B 0012 ALA CA
H B 0011 VAL C 2.419 H B 0012 ALA CA
H B 0011 VAL C 3.294 H B 0012 ALA C
H B 0011 VAL C 3.576 H B 0012 ALA CB
H B 0012 ALA CA 3.784 C B 0013 ALA CA
H B 0012 ALA C 2.418 C B 0013 ALA CA
H B 0012 ALA C 3.326 C B 0013 ALA C
H B 0012 ALA C 3.555 C B 0013 ALA CB
C B 0013 ALA CA 3.785 C B 0014 MET CA
C B 0013 ALA C 2.419 C B 0014 MET CA
C B 0013 ALA C 3.248 C B 0014 MET C
C B 0013 ALA C 3.630 C B 0014 MET CB
C B 0014 MET CA 3.785 H B 0015 SER CA
C B 0014 MET C 2.419 H B 0015 SER CA
C B 0014 MET C 3.118 H B 0015 SER C
C B 0014 MET C 3.687 H B 0015 SER CB
H B 0015 SER CA 3.784 H B 0016 VAL CA
H B 0015 SER C 2.418 H B 0016 VAL CA
H B 0015 SER C 2.947 H B 0016 VAL C
H B 0015 SER C 3.699 H B 0016 VAL CB
H B 0016 VAL CA 3.785 H B 0017 MET CA
H B 0016 VAL C 2.418 H B 0017 MET CA
H B 0016 VAL C 2.984 H B 0017 MET C
H B 0016 VAL C 3.693 H B 0017 MET CB
H B 0017 MET CA 3.786 H B 0018 ASP CA
H B 0017 MET C 2.418 H B 0018 ASP CA
H B 0017 MET C 2.944 H B 0018 ASP C
H B 0017 MET C 3.712 H B 0018 ASP CB
H B 0018 ASP CA 3.785 H B 0019 VAL CA
H B 0018 ASP C 2.419 H B 0019 VAL CA
H B 0018 ASP C 3.107 H B 0019 VAL C
H B 0018 ASP C 3.667 H B 0019 VAL CB
H B 0019 VAL CA 3.785 H B 0020 VAL CA
H B 0019 VAL C 2.419 H B 0020 VAL CA
H B 0019 VAL C 2.964 H B 0020 VAL C
H B 0019 VAL C 3.698 H B 0020 VAL CB
H B 0020 VAL CA 3.785 H B 0021 GLU CA
H B 0020 VAL C 2.418 H B 0021 GLU CA
H B 0020 VAL C 2.979 H B 0021 GLU C
H B 0020 VAL C 3.710 H B 0021 GLU CB
H B 0021 GLU CA 3.784 H B 0022 LEU CA
H B 0021 GLU C 2.418 H B 0022 LEU CA
H B 0021 GLU C 2.919 H B 0022 LEU C
H B 0021 GLU C 3.706 H B 0022 LEU CB
H B 0022 LEU CA 3.785 H B 0023 ILE CA
H B 0022 LEU C 2.418 H B 0023 ILE CA
H B 0022 LEU C 2.851 H B 0023 ILE C
H B 0022 LEU C 3.702 H B 0023 ILE CB
H B 0022 LEU CD2 3.709 H B 0026 MET CE
H B 0023 ILE CA 3.784 H B 0024 SER CA
H B 0023 ILE C 2.418 H B 0024 SER CA
H B 0023 ILE C 2.985 H B 0024 SER C
H B 0023 ILE C 3.711 H B 0024 SER CB
H B 0024 SER CA 3.785 H B 0025 ALA CA
H B 0024 SER C 2.419 H B 0025 ALA CA
H B 0024 SER C 2.938 H B 0025 ALA C
H B 0024 SER C 3.694 H B 0025 ALA CB
H B 0025 ALA CA 3.784 H B 0026 MET CA
H B 0025 ALA C 2.419 H B 0026 MET CA
H B 0025 ALA C 2.907 H B 0026 MET C
H B 0025 ALA C 3.689 H B 0026 MET CB
H B 0026 MET CA 3.785 H B 0027 GLU CA
H B 0026 MET C 2.419 H B 0027 GLU CA
H B 0026 MET C 2.894 H B 0027 GLU C
H B 0026 MET C 3.709 H B 0027 GLU CB
H B 0027 GLU CA 3.785 H B 0028 GLU CA
H B 0027 GLU C 2.419 H B 0028 GLU CA
H B 0027 GLU C 3.146 H B 0028 GLU C
H B 0027 GLU C 3.675 H B 0028 GLU CB
H B 0028 GLU CA 3.784 H B 0029 LYS CA
H B 0028 GLU C 2.418 H B 0029 LYS CA
H B 0028 GLU C 2.881 H B 0029 LYS C
H B 0028 GLU C 3.705 H B 0029 LYS CB
H B 0029 LYS CA 3.785 H B 0030 PHE CA
H B 0029 LYS C 2.419 H B 0030 PHE CA
H B 0029 LYS C 3.109 H B 0030 PHE C
H B 0029 LYS C 3.651 H B 0030 PHE CB
H B 0030 PHE CA 3.785 C B 0031 GLY CA
H B 0030 PHE C 2.419 C B 0031 GLY CA
H B 0030 PHE C 2.868 C B 0031 GLY C
C B 0031 GLY CA 3.785 C B 0032 VAL CA
C B 0031 GLY C 2.419 C B 0032 VAL CA
C B 0031 GLY C 3.238 C B 0032 VAL C
C B 0031 GLY C 3.610 C B 0032 VAL CB
C B 0032 VAL CA 3.786 C B 0033 SER CA
C B 0032 VAL C 2.419 C B 0033 SER CA
C B 0032 VAL C 3.332 C B 0033 SER C
C B 0032 VAL C 3.585 C B 0033 SER CB
C B 0033 SER CA 3.786 C B 0034 ALA CA
C B 0033 SER C 2.419 C B 0034 ALA CA
C B 0033 SER C 3.445 C B 0034 ALA C
C B 0033 SER C 3.456 C B 0034 ALA CB
C B 0034 ALA CA 3.785 C B 0035 ALA CA
C B 0034 ALA C 2.419 C B 0035 ALA CA
C B 0034 ALA C 2.883 C B 0035 ALA C
C B 0034 ALA C 3.059 C B 0035 ALA CB
C B 0034 ALA CB 3.747 C B 0037 ALA CB
C B 0035 ALA CA 3.785 C B 0036 ALA CA
C B 0035 ALA C 2.419 C B 0036 ALA CA
C B 0035 ALA C 2.953 C B 0036 ALA C
C B 0035 ALA C 2.984 C B 0036 ALA CB
C B 0036 ALA CA 3.785 C B 0037 ALA CA
C B 0036 ALA C 2.418 C B 0037 ALA CA
C B 0036 ALA C 3.612 C B 0037 ALA C
C B 0036 ALA C 3.231 C B 0037 ALA CB
CHARGE_ATTR 2.00 12.00 4
H B 0005 ASP OD1 9.022 H B 0004 LYS NZ
H B 0005 ASP OD2 10.89 H B 0004 LYS NZ
H B 0028 GLU OE1 11.13 H B 0029 LYS NZ
H B 0028 GLU OE2 10.26 H B 0029 LYS NZ
CHARGE_REPU 2.00 12.00 17
H B 0005 ASP OD1 9.158 H B 0009 GLU OE1
H B 0005 ASP OD1 10.88 H B 0009 GLU OE2
H B 0005 ASP OD2 7.903 H B 0009 GLU OE1
H B 0005 ASP OD2 9.747 H B 0009 GLU OE2
H B 0018 ASP OD1 8.946 H B 0021 GLU OE1
H B 0018 ASP OD1 8.197 H B 0021 GLU OE2
H B 0018 ASP OD2 9.502 H B 0021 GLU OE1
H B 0018 ASP OD2 8.258 H B 0021 GLU OE2
H B 0021 GLU OE1 11.57 H B 0027 GLU OE2
H B 0021 GLU OE1 9.593 H B 0028 GLU OE1
H B 0021 GLU OE1 10.05 H B 0028 GLU OE2
H B 0021 GLU OE2 11.48 H B 0028 GLU OE1
H B 0021 GLU OE2 11.65 H B 0028 GLU OE2
H B 0027 GLU OE1 8.864 H B 0028 GLU OE1
H B 0027 GLU OE1 10.73 H B 0028 GLU OE2
H B 0027 GLU OE2 8.566 H B 0028 GLU OE1
H B 0027 GLU OE2 10.62 H B 0028 GLU OE2
HB_MM 2.00 3.20 76
C B 0002 ILE N 2.261 C B 0001 SER O
H B 0003 THR N 2.262 C B 0002 ILE O
H B 0004 LYS N 2.261 H B 0003 THR O
H B 0005 ASP N 2.262 H B 0004 LYS O
H B 0006 GLN N 2.981 H B 0003 THR O
H B 0006 GLN N 2.261 H B 0005 ASP O
H B 0007 ILE N 3.187 H B 0003 THR O
H B 0007 ILE N 2.906 H B 0004 LYS O
H B 0007 ILE N 2.978 H B 0005 ASP O
H B 0007 ILE N 2.261 H B 0006 GLN O
H B 0008 ILE N 3.123 H B 0004 LYS O
H B 0008 ILE N 2.714 H B 0005 ASP O
H B 0008 ILE N 2.262 H B 0007 ILE O
H B 0009 GLU N 2.261 H B 0008 ILE O
H B 0010 ALA N 2.912 H B 0007 ILE O
H B 0010 ALA N 3.107 H B 0008 ILE O
H B 0010 ALA N 2.262 H B 0009 GLU O
H B 0011 VAL N 3.090 H B 0007 ILE O
H B 0011 VAL N 3.076 H B 0008 ILE O
H B 0011 VAL N 2.261 H B 0010 ALA O
H B 0012 ALA N 3.198 H B 0008 ILE O
H B 0012 ALA N 2.261 H B 0011 VAL O
C B 0013 ALA N 3.090 H B 0009 GLU O
C B 0013 ALA N 2.261 H B 0012 ALA O
C B 0014 MET N 2.262 C B 0013 ALA O
H B 0015 SER N 2.262 C B 0014 MET O
H B 0016 VAL N 2.262 H B 0015 SER O
H B 0017 MET N 2.262 H B 0016 VAL O
H B 0018 ASP N 3.161 H B 0015 SER O
H B 0018 ASP N 2.261 H B 0017 MET O
H B 0019 VAL N 2.992 H B 0015 SER O
H B 0019 VAL N 3.011 H B 0016 VAL O
H B 0019 VAL N 3.127 H B 0017 MET O
H B 0019 VAL N 2.262 H B 0018 ASP O
H B 0020 VAL N 2.781 H B 0016 VAL O
H B 0020 VAL N 2.941 H B 0017 MET O
H B 0020 VAL N 2.262 H B 0019 VAL O
H B 0021 GLU N 2.981 H B 0017 MET O
H B 0021 GLU N 2.262 H B 0020 VAL O
H B 0022 LEU N 3.163 H B 0018 ASP O
H B 0022 LEU N 2.262 H B 0021 GLU O
H B 0023 ILE N 2.863 H B 0019 VAL O
H B 0023 ILE N 2.262 H B 0022 LEU O
H B 0024 SER N 2.893 H B 0020 VAL O
H B 0024 SER N 2.997 H B 0022 LEU O
H B 0024 SER N 2.261 H B 0023 ILE O
H B 0025 ALA N 2.722 H B 0021 GLU O
H B 0025 ALA N 2.637 H B 0022 LEU O
H B 0025 ALA N 2.262 H B 0024 SER O
H B 0026 MET N 3.079 H B 0022 LEU O
H B 0026 MET N 2.261 H B 0025 ALA O
H B 0027 GLU N 2.919 H B 0023 ILE O
H B 0027 GLU N 3.035 H B 0025 ALA O
H B 0027 GLU N 2.262 H B 0026 MET O
H B 0028 GLU N 3.185 H B 0024 SER O
H B 0028 GLU N 2.833 H B 0025 ALA O
H B 0028 GLU N 3.121 H B 0026 MET O
H B 0028 GLU N 2.261 H B 0027 GLU O
H B 0029 LYS N 2.821 H B 0025 ALA O
H B 0029 LYS N 3.190 H B 0026 MET O
H B 0029 LYS N 2.261 H B 0028 GLU O
H B 0030 PHE N 2.738 H B 0026 MET O
H B 0030 PHE N 2.262 H B 0029 LYS O
C B 0031 GLY N 2.994 H B 0027 GLU O
C B 0031 GLY N 2.939 H B 0028 GLU O
C B 0031 GLY N 3.121 H B 0029 LYS O
C B 0031 GLY N 2.261 H B 0030 PHE O
C B 0032 VAL N 3.049 H B 0027 GLU O
C B 0032 VAL N 3.082 H B 0030 PHE O
C B 0032 VAL N 2.261 C B 0031 GLY O
C B 0033 SER N 3.115 C B 0031 GLY O
C B 0033 SER N 2.261 C B 0032 VAL O
C B 0034 ALA N 2.262 C B 0033 SER O
C B 0035 ALA N 2.261 C B 0034 ALA O
C B 0036 ALA N 2.261 C B 0035 ALA O
C B 0037 ALA N 2.261 C B 0036 ALA O