Complet list of 1b4c con file
Complete list of 1b4c.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 323
C A 0000 MET C 2.421 C A 0001 SER CA
C A 0000 MET C 2.977 C A 0001 SER C
C A 0000 MET C 3.696 C A 0001 SER CB
C A 0001 SER C 2.418 H A 0002 GLU CA
C A 0001 SER C 2.912 H A 0002 GLU C
C A 0001 SER C 3.691 H A 0002 GLU CB
C A 0001 SER C 3.771 H A 0002 GLU CD
H A 0002 GLU C 2.422 H A 0003 LEU CA
H A 0002 GLU C 2.995 H A 0003 LEU C
H A 0002 GLU C 3.703 H A 0003 LEU CB
H A 0003 LEU C 2.420 H A 0004 GLU CA
H A 0003 LEU C 2.879 H A 0004 GLU C
H A 0003 LEU C 3.698 H A 0004 GLU CB
H A 0004 GLU C 2.429 H A 0005 LYS CA
H A 0004 GLU C 2.883 H A 0005 LYS C
H A 0004 GLU C 3.679 H A 0005 LYS CB
H A 0005 LYS C 2.436 H A 0006 ALA CA
H A 0005 LYS C 3.153 H A 0006 ALA C
H A 0005 LYS C 3.676 H A 0006 ALA CB
H A 0006 ALA C 2.408 H A 0007 MET CA
H A 0006 ALA C 2.930 H A 0007 MET C
H A 0006 ALA C 3.691 H A 0007 MET CB
H A 0007 MET C 2.423 H A 0008 VAL CA
H A 0007 MET C 2.994 H A 0008 VAL C
H A 0007 MET C 3.691 H A 0008 VAL CB
H A 0008 VAL C 2.423 H A 0009 ALA CA
H A 0008 VAL C 2.928 H A 0009 ALA C
H A 0008 VAL C 3.696 H A 0009 ALA CB
H A 0009 ALA C 2.417 H A 0010 LEU CA
H A 0009 ALA C 2.843 H A 0010 LEU C
H A 0009 ALA C 3.694 H A 0010 LEU CB
H A 0009 ALA CA 3.703 H A 0012 ASP CB
H A 0009 ALA C 3.683 H A 0012 ASP CB
H A 0010 LEU C 2.417 H A 0011 ILE CA
H A 0010 LEU C 2.960 H A 0011 ILE C
H A 0010 LEU C 3.693 H A 0011 ILE CB
H A 0011 ILE C 2.433 H A 0012 ASP CA
H A 0011 ILE C 2.909 H A 0012 ASP C
H A 0011 ILE C 3.687 H A 0012 ASP CB
H A 0012 ASP C 2.428 H A 0013 VAL CA
H A 0012 ASP C 3.149 H A 0013 VAL C
H A 0012 ASP C 3.678 H A 0013 VAL CB
H A 0013 VAL C 2.395 H A 0014 PHE CA
H A 0013 VAL C 2.943 H A 0014 PHE C
H A 0013 VAL C 3.692 H A 0014 PHE CB
H A 0014 PHE C 2.429 H A 0015 HIS CA
H A 0014 PHE C 3.130 H A 0015 HIS C
H A 0014 PHE C 3.675 H A 0015 HIS CB
H A 0014 PHE CG 3.695 H A 0070 PHE CD2
H A 0014 PHE CG 3.458 H A 0070 PHE CE2
H A 0014 PHE CD2 3.381 H A 0070 PHE CD2
H A 0014 PHE CD2 3.272 H A 0070 PHE CE2
H A 0014 PHE CE2 3.341 H A 0070 PHE CD2
H A 0014 PHE CE2 3.769 H A 0070 PHE CE2
H A 0014 PHE CZ 3.622 H A 0070 PHE CD2
H A 0015 HIS C 2.428 H A 0016 GLN CA
H A 0015 HIS C 2.932 H A 0016 GLN C
H A 0015 HIS C 3.701 H A 0016 GLN CB
H A 0016 GLN C 2.417 H A 0017 TYR CA
H A 0016 GLN C 3.048 H A 0017 TYR C
H A 0016 GLN C 3.689 H A 0017 TYR CB
H A 0017 TYR C 2.435 H A 0018 SER CA
H A 0017 TYR C 3.324 H A 0018 SER C
H A 0017 TYR C 3.602 H A 0018 SER CB
H A 0017 TYR CE2 3.660 H A 0035 LEU CD2
H A 0017 TYR CZ 3.711 H A 0035 LEU CD2
H A 0018 SER C 2.455 H A 0019 GLY CA
H A 0018 SER C 3.452 H A 0019 GLY C
H A 0019 GLY C 2.432 C A 0020 ARG CA
H A 0019 GLY C 3.016 C A 0020 ARG C
H A 0019 GLY C 3.700 C A 0020 ARG CB
C A 0020 ARG C 2.423 C A 0021 GLU CA
C A 0020 ARG C 3.633 C A 0021 GLU C
C A 0020 ARG C 3.260 C A 0021 GLU CB
C A 0020 ARG C 3.011 C A 0021 GLU CG
C A 0021 GLU C 2.419 C A 0022 GLY CA
C A 0021 GLU C 2.868 C A 0022 GLY C
C A 0022 GLY C 2.421 C A 0023 ASP CA
C A 0022 GLY C 2.851 C A 0023 ASP C
C A 0022 GLY C 3.690 C A 0023 ASP CB
C A 0023 ASP C 2.426 C A 0024 LYS CA
C A 0023 ASP C 3.211 C A 0024 LYS C
C A 0023 ASP C 3.640 C A 0024 LYS CB
C A 0024 LYS C 2.445 C A 0025 HIS CA
C A 0024 LYS C 3.521 C A 0025 HIS C
C A 0024 LYS C 3.418 C A 0025 HIS CB
C A 0024 LYS C 3.302 C A 0025 HIS CG
C A 0024 LYS C 3.472 C A 0025 HIS CD2
C A 0025 HIS C 2.443 C A 0026 LYS CA
C A 0025 HIS C 3.569 C A 0026 LYS C
C A 0025 HIS C 3.389 C A 0026 LYS CB
C A 0025 HIS C 3.405 C A 0026 LYS CG
C A 0026 LYS C 2.449 C A 0027 LEU CA
C A 0026 LYS C 3.499 C A 0027 LEU C
C A 0026 LYS C 3.463 C A 0027 LEU CB
C A 0026 LYS CD 3.469 C A 0067 GLU CD
C A 0027 LEU C 2.431 C A 0028 LYS CA
C A 0027 LEU C 3.220 C A 0028 LYS C
C A 0027 LEU C 3.651 C A 0028 LYS CB
C A 0027 LEU CD2 3.785 H A 0032 LEU CG
C A 0028 LYS C 2.426 H A 0029 LYS CA
C A 0028 LYS C 3.005 H A 0029 LYS C
C A 0028 LYS C 3.689 H A 0029 LYS CB
H A 0029 LYS C 2.423 H A 0030 SER CA
H A 0029 LYS C 2.948 H A 0030 SER C
H A 0029 LYS C 3.692 H A 0030 SER CB
H A 0029 LYS CD 3.400 C A 0063 ASP CB
H A 0030 SER C 2.418 H A 0031 GLU CA
H A 0030 SER C 3.138 H A 0031 GLU C
H A 0030 SER C 3.670 H A 0031 GLU CB
H A 0030 SER C 3.522 H A 0031 GLU CD
H A 0031 GLU C 2.421 H A 0032 LEU CA
H A 0031 GLU C 2.925 H A 0032 LEU C
H A 0031 GLU C 3.700 H A 0032 LEU CB
H A 0032 LEU C 2.408 H A 0033 LYS CA
H A 0032 LEU C 2.863 H A 0033 LYS C
H A 0032 LEU C 3.687 H A 0033 LYS CB
H A 0032 LEU CD2 3.760 H A 0036 ILE CG1
H A 0033 LYS C 2.425 H A 0034 GLU CA
H A 0033 LYS C 2.863 H A 0034 GLU C
H A 0033 LYS C 3.695 H A 0034 GLU CB
H A 0034 GLU C 2.421 H A 0035 LEU CA
H A 0034 GLU C 2.981 H A 0035 LEU C
H A 0034 GLU C 3.717 H A 0035 LEU CB
H A 0035 LEU C 2.428 H A 0036 ILE CA
H A 0035 LEU C 2.997 H A 0036 ILE C
H A 0035 LEU C 3.689 H A 0036 ILE CB
H A 0036 ILE C 2.432 H A 0037 ASN CA
H A 0036 ILE C 3.068 H A 0037 ASN C
H A 0036 ILE C 3.691 H A 0037 ASN CB
H A 0036 ILE CG2 3.682 C A 0040 LEU CB
H A 0037 ASN C 2.447 H A 0038 ASN CA
H A 0037 ASN C 3.493 H A 0038 ASN C
H A 0037 ASN C 3.497 H A 0038 ASN CB
H A 0038 ASN C 2.446 H A 0039 GLU CA
H A 0038 ASN C 3.534 H A 0039 GLU C
H A 0038 ASN C 3.449 H A 0039 GLU CB
H A 0039 GLU C 2.450 C A 0040 LEU CA
H A 0039 GLU C 3.475 C A 0040 LEU C
H A 0039 GLU C 3.518 C A 0040 LEU CB
H A 0039 GLU C 3.207 C A 0040 LEU CD2
C A 0040 LEU C 2.425 H A 0041 SER CA
C A 0040 LEU C 3.085 H A 0041 SER C
C A 0040 LEU C 3.684 H A 0041 SER CB
H A 0041 SER C 2.423 H A 0042 HIS CA
H A 0041 SER C 3.099 H A 0042 HIS C
H A 0041 SER C 3.681 H A 0042 HIS CB
H A 0042 HIS C 2.423 H A 0043 PHE CA
H A 0042 HIS C 3.025 H A 0043 PHE C
H A 0042 HIS C 3.692 H A 0043 PHE CB
H A 0043 PHE C 2.423 H A 0044 LEU CA
H A 0043 PHE C 2.881 H A 0044 LEU C
H A 0043 PHE C 3.689 H A 0044 LEU CB
H A 0044 LEU C 2.414 H A 0045 GLU CA
H A 0044 LEU C 3.089 H A 0045 GLU C
H A 0044 LEU C 3.673 H A 0045 GLU CB
H A 0044 LEU CA 3.743 C A 0047 ILE CD1
H A 0045 GLU C 2.429 C A 0046 GLU CA
H A 0045 GLU C 3.260 C A 0046 GLU C
H A 0045 GLU C 3.634 C A 0046 GLU CB
C A 0046 GLU C 2.448 C A 0047 ILE CA
C A 0046 GLU C 3.538 C A 0047 ILE C
C A 0046 GLU C 3.427 C A 0047 ILE CB
C A 0046 GLU C 3.472 C A 0047 ILE CG1
C A 0046 GLU CD 3.536 C A 0090 HIS CD2
C A 0046 GLU CD 3.255 C A 0090 HIS CE1
C A 0047 ILE C 2.433 C A 0048 LYS CA
C A 0047 ILE C 3.618 C A 0048 LYS C
C A 0047 ILE C 3.293 C A 0048 LYS CB
C A 0048 LYS C 2.417 C A 0049 GLU CA
C A 0048 LYS C 3.049 C A 0049 GLU C
C A 0048 LYS C 3.687 C A 0049 GLU CB
C A 0049 GLU C 2.428 H A 0050 GLN CA
C A 0049 GLU C 2.875 H A 0050 GLN C
C A 0049 GLU C 3.679 H A 0050 GLN CB
C A 0049 GLU CB 3.414 H A 0052 VAL CG2
H A 0050 GLN C 2.422 H A 0051 GLU CA
H A 0050 GLN C 3.075 H A 0051 GLU C
H A 0050 GLN C 3.693 H A 0051 GLU CB
H A 0051 GLU C 2.409 H A 0052 VAL CA
H A 0051 GLU C 3.024 H A 0052 VAL C
H A 0051 GLU C 3.684 H A 0052 VAL CB
H A 0052 VAL C 2.412 H A 0053 VAL CA
H A 0052 VAL C 2.968 H A 0053 VAL C
H A 0052 VAL C 3.686 H A 0053 VAL CB
H A 0052 VAL CG1 3.435 H A 0083 ALA CB
H A 0053 VAL C 2.422 H A 0054 ASP CA
H A 0053 VAL C 2.935 H A 0054 ASP C
H A 0053 VAL C 3.693 H A 0054 ASP CB
H A 0054 ASP C 2.419 H A 0055 LYS CA
H A 0054 ASP C 3.054 H A 0055 LYS C
H A 0054 ASP C 3.690 H A 0055 LYS CB
H A 0055 LYS C 2.417 H A 0056 VAL CA
H A 0055 LYS C 2.976 H A 0056 VAL C
H A 0055 LYS C 3.694 H A 0056 VAL CB
H A 0056 VAL C 2.422 H A 0057 MET CA
H A 0056 VAL C 2.905 H A 0057 MET C
H A 0056 VAL C 3.694 H A 0057 MET CB
H A 0056 VAL CG1 3.794 H A 0080 VAL CG2
H A 0057 MET C 2.428 H A 0058 GLU CA
H A 0057 MET C 3.172 H A 0058 GLU C
H A 0057 MET C 3.668 H A 0058 GLU CB
H A 0058 GLU C 2.410 H A 0059 THR CA
H A 0058 GLU C 2.993 H A 0059 THR C
H A 0058 GLU C 3.695 H A 0059 THR CB
H A 0059 THR C 2.415 H A 0060 LEU CA
H A 0059 THR C 2.917 H A 0060 LEU C
H A 0059 THR C 3.700 H A 0060 LEU CB
H A 0059 THR CB 3.793 H A 0076 PHE CE1
H A 0059 THR CG2 3.578 H A 0076 PHE CE1
H A 0060 LEU C 2.416 H A 0061 ASP CA
H A 0060 LEU C 2.885 H A 0061 ASP C
H A 0060 LEU C 3.687 H A 0061 ASP CB
H A 0060 LEU CD2 3.409 H A 0076 PHE CG
H A 0060 LEU CD2 3.202 H A 0076 PHE CD1
H A 0060 LEU CD2 3.684 H A 0076 PHE CD2
H A 0060 LEU CD2 3.295 H A 0076 PHE CE1
H A 0060 LEU CD2 3.763 H A 0076 PHE CE2
H A 0060 LEU CD2 3.581 H A 0076 PHE CZ
H A 0061 ASP C 2.446 H A 0062 GLU CA
H A 0061 ASP C 3.341 H A 0062 GLU C
H A 0061 ASP C 3.580 H A 0062 GLU CB
H A 0062 GLU CA 3.787 C A 0063 ASP CA
H A 0062 GLU C 2.413 C A 0063 ASP CA
H A 0062 GLU C 2.859 C A 0063 ASP C
H A 0062 GLU C 3.636 C A 0063 ASP CB
C A 0063 ASP C 2.434 C A 0064 GLY CA
C A 0063 ASP C 2.975 C A 0064 GLY C
C A 0064 GLY C 2.462 C A 0065 ASP CA
C A 0064 GLY C 3.468 C A 0065 ASP C
C A 0064 GLY C 3.568 C A 0065 ASP CB
C A 0065 ASP C 2.434 C A 0066 GLY CA
C A 0065 ASP C 3.162 C A 0066 GLY C
C A 0066 GLY C 2.430 C A 0067 GLU CA
C A 0066 GLY C 3.659 C A 0067 GLU C
C A 0066 GLY C 3.214 C A 0067 GLU CB
C A 0066 GLY C 3.088 C A 0067 GLU CG
C A 0067 GLU C 2.446 C A 0068 CYS CA
C A 0067 GLU C 3.366 C A 0068 CYS C
C A 0067 GLU C 3.586 C A 0068 CYS CB
C A 0068 CYS C 2.428 C A 0069 ASP CA
C A 0068 CYS C 3.174 C A 0069 ASP C
C A 0068 CYS C 3.664 C A 0069 ASP CB
C A 0069 ASP C 2.428 H A 0070 PHE CA
C A 0069 ASP C 3.066 H A 0070 PHE C
C A 0069 ASP C 3.689 H A 0070 PHE CB
H A 0070 PHE C 2.414 H A 0071 GLN CA
H A 0070 PHE C 2.940 H A 0071 GLN C
H A 0070 PHE C 3.690 H A 0071 GLN CB
H A 0071 GLN C 2.423 H A 0072 GLU CA
H A 0071 GLN C 3.078 H A 0072 GLU C
H A 0071 GLN C 3.689 H A 0072 GLU CB
H A 0072 GLU C 2.434 H A 0073 PHE CA
H A 0072 GLU C 3.103 H A 0073 PHE C
H A 0072 GLU C 3.690 H A 0073 PHE CB
H A 0073 PHE C 2.396 H A 0074 MET CA
H A 0073 PHE C 2.985 H A 0074 MET C
H A 0073 PHE C 3.685 H A 0074 MET CB
H A 0073 PHE CD1 3.654 H A 0077 VAL CG2
H A 0073 PHE CE1 3.303 H A 0077 VAL CG2
H A 0073 PHE CE2 3.592 H A 0077 VAL CG2
H A 0073 PHE CZ 3.270 H A 0077 VAL CG2
H A 0074 MET C 2.421 H A 0075 ALA CA
H A 0074 MET C 3.124 H A 0075 ALA C
H A 0074 MET C 3.672 H A 0075 ALA CB
H A 0075 ALA C 2.417 H A 0076 PHE CA
H A 0075 ALA C 2.924 H A 0076 PHE C
H A 0075 ALA C 3.715 H A 0076 PHE CB
H A 0076 PHE C 2.416 H A 0077 VAL CA
H A 0076 PHE C 3.023 H A 0077 VAL C
H A 0076 PHE C 3.688 H A 0077 VAL CB
H A 0077 VAL C 2.425 H A 0078 SER CA
H A 0077 VAL C 3.060 H A 0078 SER C
H A 0077 VAL C 3.689 H A 0078 SER CB
H A 0078 SER C 2.421 H A 0079 MET CA
H A 0078 SER C 2.894 H A 0079 MET C
H A 0078 SER C 3.687 H A 0079 MET CB
H A 0079 MET C 2.416 H A 0080 VAL CA
H A 0079 MET C 2.954 H A 0080 VAL C
H A 0079 MET C 3.691 H A 0080 VAL CB
H A 0080 VAL C 2.417 H A 0081 THR CA
H A 0080 VAL C 3.026 H A 0081 THR C
H A 0080 VAL C 3.687 H A 0081 THR CB
H A 0080 VAL C 3.794 H A 0083 ALA CB
H A 0081 THR C 2.429 H A 0082 THR CA
H A 0081 THR C 3.086 H A 0082 THR C
H A 0081 THR C 3.689 H A 0082 THR CB
H A 0082 THR C 2.423 H A 0083 ALA CA
H A 0082 THR C 2.874 H A 0083 ALA C
H A 0082 THR C 3.696 H A 0083 ALA CB
H A 0083 ALA C 2.417 H A 0084 CYS CA
H A 0083 ALA C 3.053 H A 0084 CYS C
H A 0083 ALA C 3.682 H A 0084 CYS CB
H A 0084 CYS C 2.433 H A 0085 HIS CA
H A 0084 CYS C 2.869 H A 0085 HIS C
H A 0084 CYS C 3.688 H A 0085 HIS CB
H A 0085 HIS C 2.427 H A 0086 GLU CA
H A 0085 HIS C 2.953 H A 0086 GLU C
H A 0085 HIS C 2.992 H A 0086 GLU CB
H A 0086 GLU C 2.418 H A 0087 PHE CA
H A 0086 GLU C 3.021 H A 0087 PHE C
H A 0086 GLU C 3.698 H A 0087 PHE CB
H A 0086 GLU CD 3.525 H A 0089 GLU CB
H A 0087 PHE C 2.424 H A 0088 PHE CA
H A 0087 PHE C 2.900 H A 0088 PHE C
H A 0087 PHE C 3.696 H A 0088 PHE CB
H A 0087 PHE CE1 3.690 H A 0088 PHE CE2
H A 0087 PHE CE2 3.737 H A 0088 PHE CD1
H A 0087 PHE CE2 3.787 H A 0088 PHE CD2
H A 0087 PHE CE2 3.197 H A 0088 PHE CE1
H A 0087 PHE CE2 3.255 H A 0088 PHE CE2
H A 0087 PHE CE2 2.922 H A 0088 PHE CZ
H A 0087 PHE CZ 3.109 H A 0088 PHE CE2
H A 0087 PHE CZ 3.016 H A 0088 PHE CZ
H A 0088 PHE C 2.421 H A 0089 GLU CA
H A 0088 PHE C 3.069 H A 0089 GLU C
H A 0088 PHE C 3.682 H A 0089 GLU CB
H A 0089 GLU C 2.423 C A 0090 HIS CA
H A 0089 GLU C 3.087 C A 0090 HIS C
H A 0089 GLU C 3.680 C A 0090 HIS CB
C A 0090 HIS C 2.424 C A 0091 GLU CA
C A 0090 HIS C 3.663 C A 0091 GLU C
C A 0090 HIS C 3.158 C A 0091 GLU CB
CHARGE_ATTR 2.00 12.00 149
H A 0002 GLU OE1 3.879 H A 0005 LYS NZ
H A 0002 GLU OE2 5.744 H A 0005 LYS NZ
H A 0004 GLU OE1 10.09 H A 0005 LYS NZ
H A 0004 GLU OE2 9.112 H A 0005 LYS NZ
H A 0012 ASP OD1 7.657 H A 0015 HIS ND1
H A 0012 ASP OD1 7.794 H A 0015 HIS NE2
H A 0012 ASP OD2 9.464 H A 0015 HIS ND1
H A 0012 ASP OD2 9.581 H A 0015 HIS NE2
C A 0021 GLU OE1 11.89 H A 0015 HIS NE2
C A 0021 GLU OE1 7.086 C A 0020 ARG NH1
C A 0021 GLU OE1 5.952 C A 0020 ARG NH2
C A 0021 GLU OE2 8.714 C A 0020 ARG NH1
C A 0021 GLU OE2 7.606 C A 0020 ARG NH2
C A 0021 GLU OE1 9.448 C A 0024 LYS NZ
C A 0021 GLU OE2 10.26 C A 0024 LYS NZ
C A 0023 ASP OD1 10.48 H A 0015 HIS ND1
C A 0023 ASP OD1 10.01 H A 0015 HIS NE2
C A 0023 ASP OD1 11.18 C A 0020 ARG NH1
C A 0023 ASP OD1 9.247 C A 0020 ARG NH2
C A 0023 ASP OD2 10.62 C A 0020 ARG NH2
C A 0023 ASP OD1 9.746 C A 0024 LYS NZ
C A 0023 ASP OD2 8.731 C A 0024 LYS NZ
C A 0023 ASP OD1 8.983 C A 0025 HIS ND1
C A 0023 ASP OD1 8.393 C A 0025 HIS NE2
C A 0023 ASP OD2 10.12 C A 0025 HIS ND1
C A 0023 ASP OD2 9.185 C A 0025 HIS NE2
H A 0031 GLU OE1 8.381 C A 0020 ARG NH1
H A 0031 GLU OE1 9.548 C A 0020 ARG NH2
H A 0031 GLU OE2 7.958 C A 0020 ARG NH1
H A 0031 GLU OE2 8.727 C A 0020 ARG NH2
H A 0031 GLU OE2 12.00 C A 0024 LYS NZ
H A 0031 GLU OE1 6.211 C A 0028 LYS NZ
H A 0031 GLU OE2 5.281 C A 0028 LYS NZ
H A 0031 GLU OE1 9.800 H A 0029 LYS NZ
H A 0031 GLU OE2 9.960 H A 0029 LYS NZ
H A 0031 GLU OE1 11.14 H A 0033 LYS NZ
H A 0034 GLU OE1 7.755 C A 0020 ARG NH1
H A 0034 GLU OE1 9.232 C A 0020 ARG NH2
H A 0034 GLU OE2 9.781 C A 0020 ARG NH1
H A 0034 GLU OE2 11.31 C A 0020 ARG NH2
H A 0034 GLU OE1 9.176 H A 0033 LYS NZ
H A 0034 GLU OE2 7.957 H A 0033 LYS NZ
H A 0034 GLU OE2 11.12 H A 0042 HIS ND1
H A 0034 GLU OE2 11.68 H A 0042 HIS NE2
H A 0039 GLU OE1 7.987 H A 0042 HIS ND1
H A 0039 GLU OE1 9.414 H A 0042 HIS NE2
H A 0039 GLU OE2 6.109 H A 0042 HIS ND1
H A 0039 GLU OE2 7.629 H A 0042 HIS NE2
H A 0045 GLU OE1 9.476 H A 0042 HIS ND1
H A 0045 GLU OE1 9.258 H A 0042 HIS NE2
H A 0045 GLU OE2 11.47 H A 0042 HIS ND1
H A 0045 GLU OE2 11.16 H A 0042 HIS NE2
H A 0045 GLU OE1 8.411 C A 0090 HIS ND1
H A 0045 GLU OE1 7.608 C A 0090 HIS NE2
H A 0045 GLU OE2 9.297 C A 0090 HIS ND1
H A 0045 GLU OE2 8.945 C A 0090 HIS NE2
C A 0046 GLU OE1 11.52 H A 0042 HIS ND1
C A 0046 GLU OE2 9.690 H A 0042 HIS ND1
C A 0046 GLU OE2 10.46 H A 0042 HIS NE2
C A 0046 GLU OE1 10.62 H A 0085 HIS NE2
C A 0046 GLU OE1 3.230 C A 0090 HIS ND1
C A 0046 GLU OE1 3.214 C A 0090 HIS NE2
C A 0046 GLU OE2 3.837 C A 0090 HIS ND1
C A 0046 GLU OE2 2.533 C A 0090 HIS NE2
C A 0049 GLU OE1 5.431 C A 0048 LYS NZ
C A 0049 GLU OE2 6.773 C A 0048 LYS NZ
C A 0049 GLU OE1 11.59 H A 0055 LYS NZ
C A 0049 GLU OE2 10.40 H A 0055 LYS NZ
C A 0049 GLU OE1 5.342 H A 0085 HIS ND1
C A 0049 GLU OE1 4.648 H A 0085 HIS NE2
C A 0049 GLU OE2 5.288 H A 0085 HIS ND1
C A 0049 GLU OE2 5.490 H A 0085 HIS NE2
H A 0051 GLU OE1 11.04 C A 0048 LYS NZ
H A 0051 GLU OE2 10.74 C A 0048 LYS NZ
H A 0051 GLU OE1 6.596 H A 0055 LYS NZ
H A 0051 GLU OE2 5.998 H A 0055 LYS NZ
H A 0051 GLU OE1 11.76 H A 0085 HIS ND1
H A 0051 GLU OE1 11.55 H A 0085 HIS NE2
H A 0051 GLU OE2 10.45 H A 0085 HIS ND1
H A 0051 GLU OE2 10.56 H A 0085 HIS NE2
H A 0054 ASP OD1 11.51 H A 0033 LYS NZ
H A 0054 ASP OD1 9.397 H A 0055 LYS NZ
H A 0054 ASP OD2 7.439 H A 0055 LYS NZ
H A 0058 GLU OE1 11.61 H A 0029 LYS NZ
H A 0058 GLU OE2 11.91 H A 0029 LYS NZ
H A 0058 GLU OE1 9.428 H A 0055 LYS NZ
H A 0058 GLU OE2 8.186 H A 0055 LYS NZ
H A 0061 ASP OD1 10.89 C A 0028 LYS NZ
H A 0061 ASP OD2 10.47 C A 0028 LYS NZ
H A 0061 ASP OD1 4.546 H A 0029 LYS NZ
H A 0061 ASP OD2 5.168 H A 0029 LYS NZ
H A 0061 ASP OD1 12.00 H A 0033 LYS NZ
H A 0061 ASP OD2 10.23 H A 0033 LYS NZ
H A 0062 GLU OE1 6.782 H A 0029 LYS NZ
H A 0062 GLU OE2 6.930 H A 0029 LYS NZ
C A 0063 ASP OD1 10.65 C A 0026 LYS NZ
C A 0063 ASP OD2 10.02 C A 0026 LYS NZ
C A 0063 ASP OD1 9.996 C A 0028 LYS NZ
C A 0063 ASP OD2 8.096 C A 0028 LYS NZ
C A 0063 ASP OD1 6.672 H A 0029 LYS NZ
C A 0063 ASP OD2 5.619 H A 0029 LYS NZ
C A 0065 ASP OD2 11.75 C A 0024 LYS NZ
C A 0065 ASP OD1 8.097 C A 0026 LYS NZ
C A 0065 ASP OD2 6.534 C A 0026 LYS NZ
C A 0065 ASP OD2 11.75 C A 0028 LYS NZ
C A 0065 ASP OD1 11.21 H A 0029 LYS NZ
C A 0065 ASP OD2 10.53 H A 0029 LYS NZ
C A 0067 GLU OE1 5.397 C A 0024 LYS NZ
C A 0067 GLU OE2 5.265 C A 0024 LYS NZ
C A 0067 GLU OE1 10.56 C A 0025 HIS ND1
C A 0067 GLU OE1 10.86 C A 0025 HIS NE2
C A 0067 GLU OE1 4.469 C A 0026 LYS NZ
C A 0067 GLU OE2 4.019 C A 0026 LYS NZ
C A 0067 GLU OE1 9.085 C A 0028 LYS NZ
C A 0067 GLU OE2 9.327 C A 0028 LYS NZ
C A 0069 ASP OD1 11.49 C A 0024 LYS NZ
C A 0069 ASP OD2 10.98 C A 0024 LYS NZ
C A 0069 ASP OD1 10.44 C A 0025 HIS ND1
C A 0069 ASP OD1 11.36 C A 0025 HIS NE2
C A 0069 ASP OD2 8.389 C A 0025 HIS ND1
C A 0069 ASP OD2 9.318 C A 0025 HIS NE2
C A 0069 ASP OD1 5.732 C A 0026 LYS NZ
C A 0069 ASP OD2 5.595 C A 0026 LYS NZ
H A 0072 GLU OE1 10.63 C A 0026 LYS NZ
H A 0072 GLU OE2 8.861 C A 0026 LYS NZ
H A 0072 GLU OE1 10.47 H A 0029 LYS NZ
H A 0072 GLU OE2 11.78 H A 0029 LYS NZ
H A 0086 GLU OE1 8.263 C A 0048 LYS NZ
H A 0086 GLU OE2 10.22 C A 0048 LYS NZ
H A 0086 GLU OE1 5.112 H A 0085 HIS ND1
H A 0086 GLU OE1 5.567 H A 0085 HIS NE2
H A 0086 GLU OE2 7.206 H A 0085 HIS ND1
H A 0086 GLU OE2 7.619 H A 0085 HIS NE2
H A 0086 GLU OE1 11.39 C A 0090 HIS ND1
H A 0086 GLU OE2 10.98 C A 0090 HIS ND1
H A 0089 GLU OE1 8.976 C A 0048 LYS NZ
H A 0089 GLU OE2 8.381 C A 0048 LYS NZ
H A 0089 GLU OE1 7.453 H A 0085 HIS ND1
H A 0089 GLU OE1 7.215 H A 0085 HIS NE2
H A 0089 GLU OE2 8.134 H A 0085 HIS ND1
H A 0089 GLU OE2 7.307 H A 0085 HIS NE2
H A 0089 GLU OE1 10.00 C A 0090 HIS ND1
H A 0089 GLU OE1 11.96 C A 0090 HIS NE2
H A 0089 GLU OE2 8.993 C A 0090 HIS ND1
H A 0089 GLU OE2 11.06 C A 0090 HIS NE2
C A 0091 GLU OE1 6.884 C A 0090 HIS ND1
C A 0091 GLU OE1 8.927 C A 0090 HIS NE2
C A 0091 GLU OE2 6.066 C A 0090 HIS ND1
C A 0091 GLU OE2 7.894 C A 0090 HIS NE2
CHARGE_REPU 2.00 12.00 158
H A 0002 GLU OE1 8.294 H A 0004 GLU OE1
H A 0002 GLU OE1 7.050 H A 0004 GLU OE2
H A 0002 GLU OE2 8.990 H A 0004 GLU OE1
H A 0002 GLU OE2 7.838 H A 0004 GLU OE2
H A 0012 ASP OD1 11.32 H A 0039 GLU OE1
H A 0012 ASP OD2 10.24 H A 0039 GLU OE1
H A 0012 ASP OD2 10.76 H A 0039 GLU OE2
H A 0015 HIS ND1 11.85 C A 0020 ARG NH1
H A 0015 HIS ND1 9.914 C A 0020 ARG NH2
H A 0015 HIS NE2 11.20 C A 0020 ARG NH1
H A 0015 HIS NE2 9.331 C A 0020 ARG NH2
H A 0015 HIS ND1 8.338 C A 0025 HIS ND1
H A 0015 HIS ND1 9.778 C A 0025 HIS NE2
H A 0015 HIS NE2 9.832 C A 0025 HIS ND1
H A 0015 HIS NE2 11.01 C A 0025 HIS NE2
C A 0021 GLU OE1 5.576 C A 0023 ASP OD1
C A 0021 GLU OE1 5.886 C A 0023 ASP OD2
C A 0021 GLU OE2 5.064 C A 0023 ASP OD1
C A 0021 GLU OE2 5.023 C A 0023 ASP OD2
C A 0021 GLU OE1 11.90 H A 0031 GLU OE1
C A 0021 GLU OE1 10.28 H A 0031 GLU OE2
C A 0021 GLU OE1 11.34 C A 0067 GLU OE1
C A 0024 LYS NZ 11.08 C A 0025 HIS ND1
C A 0024 LYS NZ 10.42 C A 0025 HIS NE2
C A 0024 LYS NZ 6.792 C A 0026 LYS NZ
C A 0024 LYS NZ 11.53 C A 0028 LYS NZ
C A 0025 HIS ND1 10.19 C A 0026 LYS NZ
C A 0025 HIS NE2 10.04 C A 0026 LYS NZ
C A 0028 LYS NZ 6.967 H A 0029 LYS NZ
H A 0031 GLU OE1 7.531 H A 0034 GLU OE1
H A 0031 GLU OE1 9.005 H A 0034 GLU OE2
H A 0031 GLU OE2 8.886 H A 0034 GLU OE1
H A 0031 GLU OE2 10.61 H A 0034 GLU OE2
H A 0031 GLU OE1 11.13 H A 0061 ASP OD2
H A 0031 GLU OE1 11.90 C A 0063 ASP OD1
H A 0031 GLU OE1 10.84 C A 0063 ASP OD2
H A 0031 GLU OE2 11.36 C A 0063 ASP OD1
H A 0031 GLU OE2 10.12 C A 0063 ASP OD2
H A 0031 GLU OE1 11.39 C A 0067 GLU OE1
H A 0031 GLU OE2 9.474 C A 0067 GLU OE1
H A 0031 GLU OE2 10.78 C A 0067 GLU OE2
H A 0034 GLU OE1 8.604 H A 0039 GLU OE1
H A 0034 GLU OE1 9.986 H A 0039 GLU OE2
H A 0034 GLU OE2 8.474 H A 0039 GLU OE1
H A 0034 GLU OE2 9.437 H A 0039 GLU OE2
H A 0042 HIS ND1 11.27 C A 0090 HIS NE2
H A 0042 HIS NE2 11.80 C A 0090 HIS NE2
H A 0045 GLU OE1 7.562 C A 0046 GLU OE1
H A 0045 GLU OE1 6.244 C A 0046 GLU OE2
H A 0045 GLU OE2 8.688 C A 0046 GLU OE1
H A 0045 GLU OE2 7.761 C A 0046 GLU OE2
H A 0045 GLU OE1 11.92 C A 0091 GLU OE2
H A 0045 GLU OE2 11.85 C A 0091 GLU OE2
C A 0046 GLU OE1 10.87 H A 0086 GLU OE1
C A 0046 GLU OE1 10.96 H A 0086 GLU OE2
C A 0046 GLU OE1 10.26 H A 0089 GLU OE1
C A 0046 GLU OE1 9.435 H A 0089 GLU OE2
C A 0046 GLU OE2 11.43 H A 0089 GLU OE2
C A 0046 GLU OE1 9.504 C A 0091 GLU OE1
C A 0046 GLU OE1 8.925 C A 0091 GLU OE2
C A 0046 GLU OE2 10.62 C A 0091 GLU OE1
C A 0046 GLU OE2 9.657 C A 0091 GLU OE2
C A 0048 LYS NZ 5.688 H A 0085 HIS ND1
C A 0048 LYS NZ 4.399 H A 0085 HIS NE2
C A 0049 GLU OE1 6.966 H A 0051 GLU OE1
C A 0049 GLU OE1 6.177 H A 0051 GLU OE2
C A 0049 GLU OE2 6.552 H A 0051 GLU OE1
C A 0049 GLU OE2 5.187 H A 0051 GLU OE2
C A 0049 GLU OE1 10.09 H A 0086 GLU OE1
C A 0049 GLU OE2 10.38 H A 0086 GLU OE1
C A 0049 GLU OE1 11.84 H A 0089 GLU OE1
C A 0049 GLU OE1 11.73 H A 0089 GLU OE2
H A 0051 GLU OE1 9.221 H A 0054 ASP OD1
H A 0051 GLU OE1 8.383 H A 0054 ASP OD2
H A 0051 GLU OE2 10.26 H A 0054 ASP OD1
H A 0051 GLU OE2 9.242 H A 0054 ASP OD2
H A 0054 ASP OD1 6.558 H A 0058 GLU OE1
H A 0054 ASP OD1 7.772 H A 0058 GLU OE2
H A 0054 ASP OD2 5.381 H A 0058 GLU OE1
H A 0054 ASP OD2 6.140 H A 0058 GLU OE2
H A 0054 ASP OD1 11.84 H A 0061 ASP OD1
H A 0054 ASP OD1 11.51 H A 0061 ASP OD2
H A 0054 ASP OD2 11.59 H A 0061 ASP OD1
H A 0054 ASP OD2 11.64 H A 0061 ASP OD2
H A 0054 ASP OD2 11.32 H A 0062 GLU OE2
H A 0058 GLU OE1 7.491 H A 0061 ASP OD1
H A 0058 GLU OE1 8.305 H A 0061 ASP OD2
H A 0058 GLU OE2 8.279 H A 0061 ASP OD1
H A 0058 GLU OE2 9.445 H A 0061 ASP OD2
H A 0058 GLU OE1 7.649 H A 0062 GLU OE1
H A 0058 GLU OE1 6.207 H A 0062 GLU OE2
H A 0058 GLU OE2 7.047 H A 0062 GLU OE1
H A 0058 GLU OE2 6.145 H A 0062 GLU OE2
H A 0061 ASP OD1 5.369 H A 0062 GLU OE1
H A 0061 ASP OD1 4.127 H A 0062 GLU OE2
H A 0061 ASP OD2 7.496 H A 0062 GLU OE1
H A 0061 ASP OD2 6.194 H A 0062 GLU OE2
H A 0061 ASP OD1 9.685 C A 0063 ASP OD1
H A 0061 ASP OD1 9.416 C A 0063 ASP OD2
H A 0061 ASP OD2 10.55 C A 0063 ASP OD1
H A 0061 ASP OD2 10.20 C A 0063 ASP OD2
H A 0062 GLU OE1 8.939 C A 0063 ASP OD1
H A 0062 GLU OE1 9.156 C A 0063 ASP OD2
H A 0062 GLU OE2 10.32 C A 0063 ASP OD1
H A 0062 GLU OE2 10.42 C A 0063 ASP OD2
H A 0062 GLU OE1 11.95 C A 0065 ASP OD1
H A 0062 GLU OE1 11.74 H A 0072 GLU OE1
C A 0063 ASP OD1 5.781 C A 0065 ASP OD1
C A 0063 ASP OD1 5.107 C A 0065 ASP OD2
C A 0063 ASP OD2 6.165 C A 0065 ASP OD1
C A 0063 ASP OD2 5.090 C A 0065 ASP OD2
C A 0063 ASP OD1 9.194 C A 0067 GLU OE1
C A 0063 ASP OD1 9.423 C A 0067 GLU OE2
C A 0063 ASP OD2 8.042 C A 0067 GLU OE1
C A 0063 ASP OD2 8.079 C A 0067 GLU OE2
C A 0063 ASP OD1 7.821 C A 0069 ASP OD1
C A 0063 ASP OD1 9.764 C A 0069 ASP OD2
C A 0063 ASP OD2 8.385 C A 0069 ASP OD1
C A 0063 ASP OD2 10.18 C A 0069 ASP OD2
C A 0063 ASP OD1 4.015 H A 0072 GLU OE1
C A 0063 ASP OD1 5.187 H A 0072 GLU OE2
C A 0063 ASP OD2 5.904 H A 0072 GLU OE1
C A 0063 ASP OD2 6.608 H A 0072 GLU OE2
C A 0065 ASP OD1 9.206 C A 0067 GLU OE1
C A 0065 ASP OD1 8.513 C A 0067 GLU OE2
C A 0065 ASP OD2 7.105 C A 0067 GLU OE1
C A 0065 ASP OD2 6.595 C A 0067 GLU OE2
C A 0065 ASP OD1 6.496 C A 0069 ASP OD1
C A 0065 ASP OD1 8.494 C A 0069 ASP OD2
C A 0065 ASP OD2 5.229 C A 0069 ASP OD1
C A 0065 ASP OD2 7.154 C A 0069 ASP OD2
C A 0065 ASP OD1 6.113 H A 0072 GLU OE1
C A 0065 ASP OD1 5.501 H A 0072 GLU OE2
C A 0065 ASP OD2 5.756 H A 0072 GLU OE1
C A 0065 ASP OD2 4.883 H A 0072 GLU OE2
C A 0067 GLU OE1 6.947 C A 0069 ASP OD1
C A 0067 GLU OE1 7.089 C A 0069 ASP OD2
C A 0067 GLU OE2 7.656 C A 0069 ASP OD1
C A 0067 GLU OE2 8.066 C A 0069 ASP OD2
C A 0067 GLU OE1 10.22 H A 0072 GLU OE1
C A 0067 GLU OE1 9.063 H A 0072 GLU OE2
C A 0067 GLU OE2 10.81 H A 0072 GLU OE1
C A 0067 GLU OE2 9.660 H A 0072 GLU OE2
C A 0069 ASP OD1 5.901 H A 0072 GLU OE1
C A 0069 ASP OD1 3.823 H A 0072 GLU OE2
C A 0069 ASP OD2 7.786 H A 0072 GLU OE1
C A 0069 ASP OD2 5.753 H A 0072 GLU OE2
H A 0086 GLU OE1 2.887 H A 0089 GLU OE1
H A 0086 GLU OE1 4.560 H A 0089 GLU OE2
H A 0086 GLU OE2 2.521 H A 0089 GLU OE1
H A 0086 GLU OE2 4.614 H A 0089 GLU OE2
H A 0086 GLU OE1 10.86 C A 0091 GLU OE1
H A 0086 GLU OE2 9.875 C A 0091 GLU OE1
H A 0086 GLU OE2 11.52 C A 0091 GLU OE2
H A 0089 GLU OE1 8.184 C A 0091 GLU OE1
H A 0089 GLU OE1 9.795 C A 0091 GLU OE2
H A 0089 GLU OE2 6.935 C A 0091 GLU OE1
H A 0089 GLU OE2 8.338 C A 0091 GLU OE2
HB_MM 2.00 3.20 176
C A 0001 SER N 2.196 C A 0000 MET O
H A 0002 GLU N 2.195 C A 0001 SER O
H A 0003 LEU N 2.988 C A 0001 SER O
H A 0003 LEU N 2.195 H A 0002 GLU O
H A 0004 GLU N 3.012 C A 0001 SER O
H A 0004 GLU N 2.195 H A 0003 LEU O
H A 0005 LYS N 3.099 H A 0003 LEU O
H A 0005 LYS N 2.201 H A 0004 GLU O
H A 0006 ALA N 2.791 H A 0003 LEU O
H A 0006 ALA N 2.998 H A 0004 GLU O
H A 0006 ALA N 2.203 H A 0005 LYS O
H A 0007 MET N 2.723 H A 0003 LEU O
H A 0007 MET N 2.816 H A 0004 GLU O
H A 0007 MET N 2.188 H A 0006 ALA O
H A 0008 VAL N 2.984 H A 0004 GLU O
H A 0008 VAL N 2.201 H A 0007 MET O
H A 0009 ALA N 3.084 H A 0006 ALA O
H A 0009 ALA N 2.199 H A 0008 VAL O
H A 0010 LEU N 3.009 H A 0006 ALA O
H A 0010 LEU N 2.191 H A 0009 ALA O
H A 0011 ILE N 3.051 H A 0008 VAL O
H A 0011 ILE N 3.010 H A 0009 ALA O
H A 0011 ILE N 2.201 H A 0010 LEU O
H A 0012 ASP N 2.873 H A 0008 VAL O
H A 0012 ASP N 2.714 H A 0009 ALA O
H A 0012 ASP N 2.203 H A 0011 ILE O
H A 0013 VAL N 2.829 H A 0009 ALA O
H A 0013 VAL N 3.163 H A 0011 ILE O
H A 0013 VAL N 2.203 H A 0012 ASP O
H A 0014 PHE N 2.825 H A 0010 LEU O
H A 0014 PHE N 3.128 H A 0011 ILE O
H A 0014 PHE N 2.182 H A 0013 VAL O
H A 0015 HIS N 2.837 H A 0011 ILE O
H A 0015 HIS N 3.183 H A 0013 VAL O
H A 0015 HIS N 2.202 H A 0014 PHE O
H A 0016 GLN N 3.094 H A 0012 ASP O
H A 0016 GLN N 3.160 H A 0013 VAL O
H A 0016 GLN N 2.200 H A 0015 HIS O
H A 0017 TYR N 3.181 H A 0015 HIS O
H A 0017 TYR N 2.193 H A 0016 GLN O
H A 0018 SER N 3.101 H A 0015 HIS O
H A 0018 SER N 2.200 H A 0017 TYR O
H A 0019 GLY N 3.055 H A 0015 HIS O
H A 0019 GLY N 2.205 H A 0018 SER O
C A 0020 ARG N 2.199 H A 0019 GLY O
C A 0021 GLU N 2.193 C A 0020 ARG O
C A 0022 GLY N 2.193 C A 0021 GLU O
C A 0023 ASP N 2.422 C A 0021 GLU O
C A 0023 ASP N 2.197 C A 0022 GLY O
C A 0024 LYS N 3.194 C A 0022 GLY O
C A 0024 LYS N 2.197 C A 0023 ASP O
C A 0025 HIS N 2.201 C A 0024 LYS O
C A 0026 LYS N 2.208 C A 0025 HIS O
C A 0027 LEU N 2.203 C A 0026 LYS O
C A 0027 LEU N 2.739 C A 0068 CYS O
C A 0028 LYS N 2.199 C A 0027 LEU O
H A 0029 LYS N 2.195 C A 0028 LYS O
H A 0030 SER N 2.196 H A 0029 LYS O
H A 0031 GLU N 3.147 H A 0029 LYS O
H A 0031 GLU N 2.200 H A 0030 SER O
H A 0032 LEU N 2.786 C A 0028 LYS O
H A 0032 LEU N 3.044 H A 0029 LYS O
H A 0032 LEU N 2.200 H A 0031 GLU O
H A 0033 LYS N 2.718 H A 0029 LYS O
H A 0033 LYS N 2.186 H A 0032 LEU O
H A 0034 GLU N 2.198 H A 0033 LYS O
H A 0035 LEU N 3.144 H A 0031 GLU O
H A 0035 LEU N 2.795 H A 0032 LEU O
H A 0035 LEU N 2.812 H A 0033 LYS O
H A 0035 LEU N 2.193 H A 0034 GLU O
H A 0036 ILE N 3.119 H A 0032 LEU O
H A 0036 ILE N 2.548 H A 0033 LYS O
H A 0036 ILE N 2.193 H A 0035 LEU O
H A 0037 ASN N 3.050 H A 0033 LYS O
H A 0037 ASN N 3.090 H A 0034 GLU O
H A 0037 ASN N 2.197 H A 0036 ILE O
H A 0038 ASN N 3.159 H A 0035 LEU O
H A 0038 ASN N 2.203 H A 0037 ASN O
H A 0039 GLU N 2.735 H A 0035 LEU O
H A 0039 GLU N 2.203 H A 0038 ASN O
C A 0040 LEU N 2.931 H A 0036 ILE O
C A 0040 LEU N 2.204 H A 0039 GLU O
H A 0041 SER N 2.196 C A 0040 LEU O
H A 0042 HIS N 2.194 H A 0041 SER O
H A 0043 PHE N 2.196 H A 0042 HIS O
H A 0044 LEU N 3.097 H A 0042 HIS O
H A 0044 LEU N 2.196 H A 0043 PHE O
H A 0045 GLU N 2.720 H A 0043 PHE O
H A 0045 GLU N 2.190 H A 0044 LEU O
C A 0046 GLU N 2.706 H A 0043 PHE O
C A 0046 GLU N 2.196 H A 0045 GLU O
C A 0047 ILE N 3.095 H A 0045 GLU O
C A 0047 ILE N 2.204 C A 0046 GLU O
C A 0048 LYS N 2.198 C A 0047 ILE O
C A 0049 GLU N 2.195 C A 0048 LYS O
H A 0050 GLN N 2.511 C A 0048 LYS O
H A 0050 GLN N 2.197 C A 0049 GLU O
H A 0051 GLU N 2.624 C A 0049 GLU O
H A 0051 GLU N 2.196 H A 0050 GLN O
H A 0052 VAL N 2.510 C A 0049 GLU O
H A 0052 VAL N 2.188 H A 0051 GLU O
H A 0053 VAL N 2.192 H A 0052 VAL O
H A 0054 ASP N 2.944 H A 0050 GLN O
H A 0054 ASP N 2.198 H A 0053 VAL O
H A 0055 LYS N 3.187 H A 0052 VAL O
H A 0055 LYS N 2.197 H A 0054 ASP O
H A 0056 VAL N 3.182 H A 0052 VAL O
H A 0056 VAL N 2.940 H A 0053 VAL O
H A 0056 VAL N 2.190 H A 0055 LYS O
H A 0057 MET N 3.068 H A 0053 VAL O
H A 0057 MET N 2.198 H A 0056 VAL O
H A 0058 GLU N 2.820 H A 0056 VAL O
H A 0058 GLU N 2.198 H A 0057 MET O
H A 0059 THR N 2.658 H A 0055 LYS O
H A 0059 THR N 2.698 H A 0056 VAL O
H A 0059 THR N 2.192 H A 0058 GLU O
H A 0060 LEU N 2.764 H A 0056 VAL O
H A 0060 LEU N 2.189 H A 0059 THR O
H A 0061 ASP N 2.195 H A 0060 LEU O
H A 0062 GLU N 2.908 H A 0058 GLU O
H A 0062 GLU N 2.887 H A 0059 THR O
H A 0062 GLU N 2.717 H A 0060 LEU O
H A 0062 GLU N 2.206 H A 0061 ASP O
C A 0063 ASP N 2.752 H A 0060 LEU O
C A 0063 ASP N 2.179 H A 0062 GLU O
C A 0064 GLY N 2.809 H A 0062 GLU O
C A 0064 GLY N 2.199 C A 0063 ASP O
C A 0065 ASP N 2.402 C A 0063 ASP O
C A 0065 ASP N 2.205 C A 0064 GLY O
C A 0066 GLY N 2.190 C A 0065 ASP O
C A 0067 GLU N 2.883 C A 0065 ASP O
C A 0067 GLU N 2.196 C A 0066 GLY O
C A 0068 CYS N 2.670 C A 0027 LEU O
C A 0068 CYS N 2.204 C A 0067 GLU O
C A 0069 ASP N 2.196 C A 0068 CYS O
H A 0070 PHE N 2.200 C A 0069 ASP O
H A 0071 GLN N 2.192 H A 0070 PHE O
H A 0072 GLU N 3.162 H A 0070 PHE O
H A 0072 GLU N 2.195 H A 0071 GLN O
H A 0073 PHE N 2.908 H A 0070 PHE O
H A 0073 PHE N 2.195 H A 0072 GLU O
H A 0074 MET N 2.935 H A 0070 PHE O
H A 0074 MET N 2.180 H A 0073 PHE O
H A 0075 ALA N 2.185 H A 0074 MET O
H A 0076 PHE N 3.035 H A 0072 GLU O
H A 0076 PHE N 2.191 H A 0075 ALA O
H A 0077 VAL N 3.004 H A 0073 PHE O
H A 0077 VAL N 3.014 H A 0075 ALA O
H A 0077 VAL N 2.192 H A 0076 PHE O
H A 0078 SER N 2.832 H A 0075 ALA O
H A 0078 SER N 2.196 H A 0077 VAL O
H A 0079 MET N 3.038 H A 0075 ALA O
H A 0079 MET N 2.194 H A 0078 SER O
H A 0080 VAL N 3.178 H A 0078 SER O
H A 0080 VAL N 2.191 H A 0079 MET O
H A 0081 THR N 3.081 H A 0077 VAL O
H A 0081 THR N 2.931 H A 0078 SER O
H A 0081 THR N 2.194 H A 0080 VAL O
H A 0082 THR N 2.506 H A 0078 SER O
H A 0082 THR N 2.199 H A 0081 THR O
H A 0083 ALA N 2.412 H A 0079 MET O
H A 0083 ALA N 2.197 H A 0082 THR O
H A 0084 CYS N 2.990 H A 0082 THR O
H A 0084 CYS N 2.196 H A 0083 ALA O
H A 0085 HIS N 2.727 H A 0083 ALA O
H A 0085 HIS N 2.201 H A 0084 CYS O
H A 0086 GLU N 3.190 H A 0084 CYS O
H A 0086 GLU N 2.198 H A 0085 HIS O
H A 0087 PHE N 3.182 H A 0084 CYS O
H A 0087 PHE N 2.196 H A 0086 GLU O
H A 0088 PHE N 2.199 H A 0087 PHE O
H A 0089 GLU N 2.944 H A 0087 PHE O
H A 0089 GLU N 2.196 H A 0088 PHE O
C A 0090 HIS N 2.581 H A 0088 PHE O
C A 0090 HIS N 2.198 H A 0089 GLU O
C A 0091 GLU N 2.197 C A 0090 HIS O
HB_MS 2.00 3.20 13
C A 0001 SER N 3.059 H A 0004 GLU OE2
H A 0002 GLU N 3.199 C A 0001 SER OG
H A 0003 LEU N 3.129 C A 0001 SER OG
H A 0017 TYR O 2.906 C A 0020 ARG NH2
H A 0055 LYS O 2.361 H A 0059 THR OG1
H A 0061 ASP O 2.922 H A 0029 LYS NZ
C A 0066 GLY N 2.655 C A 0063 ASP OD2
C A 0067 GLU N 3.096 C A 0063 ASP OD2
H A 0075 ALA O 2.788 H A 0078 SER OG
H A 0077 VAL O 2.517 H A 0081 THR OG1
H A 0078 SER O 2.693 H A 0082 THR OG1
H A 0079 MET N 2.543 H A 0078 SER OG
H A 0079 MET O 3.084 H A 0082 THR OG1
HB_SS 2.00 3.20 2
H A 0004 GLU OE2 2.368 C A 0001 SER OG
H A 0031 GLU OE1 3.058 H A 0030 SER OG
AROMATIC 0.00 8.00 2
C A 0048 LYS 5.430 H A 0085 HIS
C A 0020 ARG 7.669 H A 0017 TYR
COMMENT BEGIN
#########################################################################
COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "B"
HYDROPHOBIC 2.00 3.80 18
H A 0003 LEU CB 3.629 H B 0039 GLU CD
H A 0003 LEU CD1 3.470 H B 0039 GLU CG
H A 0003 LEU CD1 3.112 H B 0039 GLU CD
H A 0006 ALA CB 3.328 H B 0006 ALA CB
H A 0007 MET CB 3.774 H B 0043 PHE CE2
H A 0007 MET CG 3.645 H B 0043 PHE CE2
H A 0011 ILE CD1 3.757 H B 0087 PHE CD2
H A 0011 ILE CG2 3.631 H B 0088 PHE CD1
H A 0014 PHE CD1 3.767 H B 0088 PHE CZ
H A 0039 GLU CG 3.493 H B 0003 LEU CD1
H A 0039 GLU CD 3.643 H B 0003 LEU CB
H A 0039 GLU CD 3.123 H B 0003 LEU CD1
H A 0043 PHE CE2 3.775 H B 0007 MET CB
H A 0043 PHE CE2 3.635 H B 0007 MET CG
H A 0087 PHE CD2 3.785 H B 0011 ILE CD1
H A 0088 PHE CD1 3.657 H B 0011 ILE CG2
H A 0088 PHE CE1 3.773 H B 0014 PHE CD1
H A 0088 PHE CZ 3.725 H B 0014 PHE CD1
CHARGE_ATTR 2.00 12.00 48
H A 0002 GLU OE1 9.672 H B 0042 HIS ND1
H A 0002 GLU OE1 9.461 H B 0042 HIS NE2
H A 0002 GLU OE2 10.73 H B 0042 HIS ND1
H A 0002 GLU OE2 10.62 H B 0042 HIS NE2
H A 0004 GLU OE1 4.896 H B 0042 HIS ND1
H A 0004 GLU OE1 6.692 H B 0042 HIS NE2
H A 0004 GLU OE2 3.723 H B 0042 HIS ND1
H A 0004 GLU OE2 5.037 H B 0042 HIS NE2
H A 0005 LYS NZ 10.33 H B 0012 ASP OD2
H A 0005 LYS NZ 10.86 H B 0039 GLU OE2
H A 0012 ASP OD2 10.32 H B 0005 LYS NZ
H A 0012 ASP OD1 11.75 C B 0090 HIS NE2
H A 0015 HIS ND1 11.15 H B 0086 GLU OE1
H A 0015 HIS ND1 9.451 H B 0086 GLU OE2
H A 0015 HIS NE2 10.66 H B 0086 GLU OE2
H A 0015 HIS ND1 11.08 H B 0089 GLU OE1
C A 0025 HIS ND1 6.574 H B 0086 GLU OE1
C A 0025 HIS ND1 6.007 H B 0086 GLU OE2
C A 0025 HIS NE2 5.894 H B 0086 GLU OE1
C A 0025 HIS NE2 5.430 H B 0086 GLU OE2
C A 0025 HIS ND1 8.505 H B 0089 GLU OE1
C A 0025 HIS ND1 10.54 H B 0089 GLU OE2
C A 0025 HIS NE2 7.818 H B 0089 GLU OE1
C A 0025 HIS NE2 9.938 H B 0089 GLU OE2
H A 0039 GLU OE2 10.87 H B 0005 LYS NZ
H A 0042 HIS ND1 9.709 H B 0002 GLU OE1
H A 0042 HIS ND1 10.77 H B 0002 GLU OE2
H A 0042 HIS NE2 9.497 H B 0002 GLU OE1
H A 0042 HIS NE2 10.66 H B 0002 GLU OE2
H A 0042 HIS ND1 4.904 H B 0004 GLU OE1
H A 0042 HIS ND1 3.751 H B 0004 GLU OE2
H A 0042 HIS NE2 6.692 H B 0004 GLU OE1
H A 0042 HIS NE2 5.050 H B 0004 GLU OE2
C A 0069 ASP OD2 11.95 H B 0085 HIS ND1
H A 0085 HIS ND1 11.89 C B 0069 ASP OD2
H A 0086 GLU OE1 11.12 H B 0015 HIS ND1
H A 0086 GLU OE2 9.418 H B 0015 HIS ND1
H A 0086 GLU OE2 10.63 H B 0015 HIS NE2
H A 0086 GLU OE1 6.507 C B 0025 HIS ND1
H A 0086 GLU OE1 5.818 C B 0025 HIS NE2
H A 0086 GLU OE2 5.944 C B 0025 HIS ND1
H A 0086 GLU OE2 5.361 C B 0025 HIS NE2
H A 0089 GLU OE1 11.04 H B 0015 HIS ND1
H A 0089 GLU OE1 8.442 C B 0025 HIS ND1
H A 0089 GLU OE1 7.748 C B 0025 HIS NE2
H A 0089 GLU OE2 10.47 C B 0025 HIS ND1
H A 0089 GLU OE2 9.866 C B 0025 HIS NE2
C A 0090 HIS NE2 11.72 H B 0012 ASP OD1
CHARGE_REPU 2.00 12.00 52
H A 0002 GLU OE1 10.32 H B 0012 ASP OD1
H A 0002 GLU OE1 8.247 H B 0012 ASP OD2
H A 0002 GLU OE2 8.760 H B 0012 ASP OD1
H A 0002 GLU OE2 6.821 H B 0012 ASP OD2
H A 0002 GLU OE1 9.154 H B 0039 GLU OE1
H A 0002 GLU OE1 8.165 H B 0039 GLU OE2
H A 0002 GLU OE2 8.693 H B 0039 GLU OE1
H A 0002 GLU OE2 8.209 H B 0039 GLU OE2
H A 0004 GLU OE1 11.94 H B 0012 ASP OD2
H A 0004 GLU OE2 11.95 H B 0012 ASP OD2
H A 0004 GLU OE1 11.52 H B 0034 GLU OE2
H A 0004 GLU OE2 11.90 H B 0034 GLU OE1
H A 0004 GLU OE2 10.90 H B 0034 GLU OE2
H A 0004 GLU OE1 4.757 H B 0039 GLU OE1
H A 0004 GLU OE1 2.708 H B 0039 GLU OE2
H A 0004 GLU OE2 5.156 H B 0039 GLU OE1
H A 0004 GLU OE2 3.073 H B 0039 GLU OE2
H A 0004 GLU OE1 11.35 C B 0046 GLU OE2
H A 0004 GLU OE2 11.72 C B 0046 GLU OE2
H A 0005 LYS NZ 11.17 H B 0042 HIS ND1
H A 0005 LYS NZ 10.82 H B 0042 HIS NE2
H A 0012 ASP OD1 10.30 H B 0002 GLU OE1
H A 0012 ASP OD1 8.734 H B 0002 GLU OE2
H A 0012 ASP OD2 8.225 H B 0002 GLU OE1
H A 0012 ASP OD2 6.797 H B 0002 GLU OE2
H A 0012 ASP OD2 11.90 H B 0004 GLU OE1
H A 0012 ASP OD2 11.92 H B 0004 GLU OE2
C A 0023 ASP OD1 11.16 H B 0086 GLU OE2
C A 0025 HIS ND1 9.006 H B 0085 HIS ND1
C A 0025 HIS ND1 10.47 H B 0085 HIS NE2
C A 0025 HIS NE2 8.566 H B 0085 HIS ND1
C A 0025 HIS NE2 10.15 H B 0085 HIS NE2
H A 0034 GLU OE1 11.89 H B 0004 GLU OE2
H A 0034 GLU OE2 11.51 H B 0004 GLU OE1
H A 0034 GLU OE2 10.89 H B 0004 GLU OE2
H A 0039 GLU OE1 9.173 H B 0002 GLU OE1
H A 0039 GLU OE1 8.720 H B 0002 GLU OE2
H A 0039 GLU OE2 8.191 H B 0002 GLU OE1
H A 0039 GLU OE2 8.243 H B 0002 GLU OE2
H A 0039 GLU OE1 4.732 H B 0004 GLU OE1
H A 0039 GLU OE1 5.138 H B 0004 GLU OE2
H A 0039 GLU OE2 2.679 H B 0004 GLU OE1
H A 0039 GLU OE2 3.059 H B 0004 GLU OE2
H A 0042 HIS ND1 11.19 H B 0005 LYS NZ
H A 0042 HIS NE2 10.85 H B 0005 LYS NZ
C A 0046 GLU OE2 11.39 H B 0004 GLU OE1
C A 0046 GLU OE2 11.76 H B 0004 GLU OE2
H A 0085 HIS ND1 8.949 C B 0025 HIS ND1
H A 0085 HIS ND1 8.502 C B 0025 HIS NE2
H A 0085 HIS NE2 10.41 C B 0025 HIS ND1
H A 0085 HIS NE2 10.08 C B 0025 HIS NE2
H A 0086 GLU OE2 11.09 C B 0023 ASP OD1
HB_SS 2.00 3.20 2
C A 0001 SER OG 2.923 H B 0039 GLU OE2
H A 0039 GLU OE2 2.941 C B 0001 SER OG
AROMATIC 0.00 8.00 2
H A 0087 PHE 5.638 H B 0070 PHE
H A 0070 PHE 5.669 H B 0087 PHE
COMMENT BEGIN
#########################################################################
COMMENT END
CONTACTS BETWEEN
CHAIN(S) "B"
AND
CHAIN(S) "B"
HYDROPHOBIC 2.00 3.80 323
C B 0000 MET C 2.422 C B 0001 SER CA
C B 0000 MET C 2.976 C B 0001 SER C
C B 0000 MET C 3.695 C B 0001 SER CB
C B 0001 SER C 2.419 H B 0002 GLU CA
C B 0001 SER C 2.913 H B 0002 GLU C
C B 0001 SER C 3.691 H B 0002 GLU CB
C B 0001 SER C 3.771 H B 0002 GLU CD
H B 0002 GLU C 2.423 H B 0003 LEU CA
H B 0002 GLU C 2.995 H B 0003 LEU C
H B 0002 GLU C 3.703 H B 0003 LEU CB
H B 0003 LEU C 2.420 H B 0004 GLU CA
H B 0003 LEU C 2.879 H B 0004 GLU C
H B 0003 LEU C 3.698 H B 0004 GLU CB
H B 0004 GLU C 2.428 H B 0005 LYS CA
H B 0004 GLU C 2.881 H B 0005 LYS C
H B 0004 GLU C 3.678 H B 0005 LYS CB
H B 0005 LYS C 2.435 H B 0006 ALA CA
H B 0005 LYS C 3.152 H B 0006 ALA C
H B 0005 LYS C 3.675 H B 0006 ALA CB
H B 0006 ALA C 2.409 H B 0007 MET CA
H B 0006 ALA C 2.930 H B 0007 MET C
H B 0006 ALA C 3.691 H B 0007 MET CB
H B 0007 MET C 2.421 H B 0008 VAL CA
H B 0007 MET C 2.994 H B 0008 VAL C
H B 0007 MET C 3.690 H B 0008 VAL CB
H B 0008 VAL C 2.423 H B 0009 ALA CA
H B 0008 VAL C 2.928 H B 0009 ALA C
H B 0008 VAL C 3.696 H B 0009 ALA CB
H B 0009 ALA C 2.417 H B 0010 LEU CA
H B 0009 ALA C 2.843 H B 0010 LEU C
H B 0009 ALA C 3.693 H B 0010 LEU CB
H B 0009 ALA CA 3.703 H B 0012 ASP CB
H B 0009 ALA C 3.683 H B 0012 ASP CB
H B 0010 LEU C 2.418 H B 0011 ILE CA
H B 0010 LEU C 2.959 H B 0011 ILE C
H B 0010 LEU C 3.693 H B 0011 ILE CB
H B 0011 ILE C 2.433 H B 0012 ASP CA
H B 0011 ILE C 2.908 H B 0012 ASP C
H B 0011 ILE C 3.687 H B 0012 ASP CB
H B 0012 ASP C 2.427 H B 0013 VAL CA
H B 0012 ASP C 3.150 H B 0013 VAL C
H B 0012 ASP C 3.678 H B 0013 VAL CB
H B 0013 VAL C 2.396 H B 0014 PHE CA
H B 0013 VAL C 2.943 H B 0014 PHE C
H B 0013 VAL C 3.693 H B 0014 PHE CB
H B 0014 PHE C 2.429 H B 0015 HIS CA
H B 0014 PHE C 3.131 H B 0015 HIS C
H B 0014 PHE C 3.674 H B 0015 HIS CB
H B 0014 PHE CG 3.695 H B 0070 PHE CD2
H B 0014 PHE CG 3.458 H B 0070 PHE CE2
H B 0014 PHE CD2 3.382 H B 0070 PHE CD2
H B 0014 PHE CD2 3.271 H B 0070 PHE CE2
H B 0014 PHE CE2 3.342 H B 0070 PHE CD2
H B 0014 PHE CE2 3.770 H B 0070 PHE CE2
H B 0014 PHE CZ 3.622 H B 0070 PHE CD2
H B 0015 HIS C 2.428 H B 0016 GLN CA
H B 0015 HIS C 2.932 H B 0016 GLN C
H B 0015 HIS C 3.701 H B 0016 GLN CB
H B 0016 GLN C 2.418 H B 0017 TYR CA
H B 0016 GLN C 3.049 H B 0017 TYR C
H B 0016 GLN C 3.689 H B 0017 TYR CB
H B 0017 TYR C 2.433 H B 0018 SER CA
H B 0017 TYR C 3.323 H B 0018 SER C
H B 0017 TYR C 3.602 H B 0018 SER CB
H B 0017 TYR CE2 3.660 H B 0035 LEU CD2
H B 0017 TYR CZ 3.711 H B 0035 LEU CD2
H B 0018 SER C 2.454 H B 0019 GLY CA
H B 0018 SER C 3.451 H B 0019 GLY C
H B 0019 GLY C 2.431 C B 0020 ARG CA
H B 0019 GLY C 3.016 C B 0020 ARG C
H B 0019 GLY C 3.700 C B 0020 ARG CB
C B 0020 ARG C 2.422 C B 0021 GLU CA
C B 0020 ARG C 3.632 C B 0021 GLU C
C B 0020 ARG C 3.260 C B 0021 GLU CB
C B 0020 ARG C 3.011 C B 0021 GLU CG
C B 0021 GLU C 2.421 C B 0022 GLY CA
C B 0021 GLU C 2.870 C B 0022 GLY C
C B 0022 GLY C 2.422 C B 0023 ASP CA
C B 0022 GLY C 2.850 C B 0023 ASP C
C B 0022 GLY C 3.690 C B 0023 ASP CB
C B 0023 ASP C 2.426 C B 0024 LYS CA
C B 0023 ASP C 3.211 C B 0024 LYS C
C B 0023 ASP C 3.640 C B 0024 LYS CB
C B 0024 LYS C 2.445 C B 0025 HIS CA
C B 0024 LYS C 3.522 C B 0025 HIS C
C B 0024 LYS C 3.417 C B 0025 HIS CB
C B 0024 LYS C 3.301 C B 0025 HIS CG
C B 0024 LYS C 3.473 C B 0025 HIS CD2
C B 0025 HIS C 2.442 C B 0026 LYS CA
C B 0025 HIS C 3.569 C B 0026 LYS C
C B 0025 HIS C 3.389 C B 0026 LYS CB
C B 0025 HIS C 3.404 C B 0026 LYS CG
C B 0026 LYS C 2.449 C B 0027 LEU CA
C B 0026 LYS C 3.500 C B 0027 LEU C
C B 0026 LYS C 3.463 C B 0027 LEU CB
C B 0026 LYS CD 3.470 C B 0067 GLU CD
C B 0027 LEU C 2.429 C B 0028 LYS CA
C B 0027 LEU C 3.220 C B 0028 LYS C
C B 0027 LEU C 3.650 C B 0028 LYS CB
C B 0027 LEU CD2 3.785 H B 0032 LEU CG
C B 0028 LYS C 2.427 H B 0029 LYS CA
C B 0028 LYS C 3.006 H B 0029 LYS C
C B 0028 LYS C 3.690 H B 0029 LYS CB
H B 0029 LYS C 2.424 H B 0030 SER CA
H B 0029 LYS C 2.948 H B 0030 SER C
H B 0029 LYS C 3.692 H B 0030 SER CB
H B 0029 LYS CD 3.399 C B 0063 ASP CB
H B 0030 SER C 2.418 H B 0031 GLU CA
H B 0030 SER C 3.138 H B 0031 GLU C
H B 0030 SER C 3.670 H B 0031 GLU CB
H B 0030 SER C 3.522 H B 0031 GLU CD
H B 0031 GLU C 2.422 H B 0032 LEU CA
H B 0031 GLU C 2.925 H B 0032 LEU C
H B 0031 GLU C 3.701 H B 0032 LEU CB
H B 0032 LEU C 2.408 H B 0033 LYS CA
H B 0032 LEU C 2.863 H B 0033 LYS C
H B 0032 LEU C 3.687 H B 0033 LYS CB
H B 0032 LEU CD2 3.759 H B 0036 ILE CG1
H B 0033 LYS C 2.425 H B 0034 GLU CA
H B 0033 LYS C 2.863 H B 0034 GLU C
H B 0033 LYS C 3.695 H B 0034 GLU CB
H B 0034 GLU C 2.421 H B 0035 LEU CA
H B 0034 GLU C 2.980 H B 0035 LEU C
H B 0034 GLU C 3.717 H B 0035 LEU CB
H B 0035 LEU C 2.427 H B 0036 ILE CA
H B 0035 LEU C 2.997 H B 0036 ILE C
H B 0035 LEU C 3.690 H B 0036 ILE CB
H B 0036 ILE C 2.431 H B 0037 ASN CA
H B 0036 ILE C 3.067 H B 0037 ASN C
H B 0036 ILE C 3.690 H B 0037 ASN CB
H B 0036 ILE CG2 3.682 C B 0040 LEU CB
H B 0037 ASN C 2.448 H B 0038 ASN CA
H B 0037 ASN C 3.494 H B 0038 ASN C
H B 0037 ASN C 3.497 H B 0038 ASN CB
H B 0038 ASN C 2.445 H B 0039 GLU CA
H B 0038 ASN C 3.533 H B 0039 GLU C
H B 0038 ASN C 3.449 H B 0039 GLU CB
H B 0039 GLU C 2.451 C B 0040 LEU CA
H B 0039 GLU C 3.474 C B 0040 LEU C
H B 0039 GLU C 3.518 C B 0040 LEU CB
H B 0039 GLU C 3.208 C B 0040 LEU CD2
C B 0040 LEU C 2.425 H B 0041 SER CA
C B 0040 LEU C 3.086 H B 0041 SER C
C B 0040 LEU C 3.684 H B 0041 SER CB
H B 0041 SER C 2.423 H B 0042 HIS CA
H B 0041 SER C 3.099 H B 0042 HIS C
H B 0041 SER C 3.681 H B 0042 HIS CB
H B 0042 HIS C 2.423 H B 0043 PHE CA
H B 0042 HIS C 3.024 H B 0043 PHE C
H B 0042 HIS C 3.693 H B 0043 PHE CB
H B 0043 PHE C 2.422 H B 0044 LEU CA
H B 0043 PHE C 2.881 H B 0044 LEU C
H B 0043 PHE C 3.689 H B 0044 LEU CB
H B 0044 LEU C 2.414 H B 0045 GLU CA
H B 0044 LEU C 3.089 H B 0045 GLU C
H B 0044 LEU C 3.673 H B 0045 GLU CB
H B 0044 LEU CA 3.743 C B 0047 ILE CD1
H B 0045 GLU C 2.430 C B 0046 GLU CA
H B 0045 GLU C 3.260 C B 0046 GLU C
H B 0045 GLU C 3.635 C B 0046 GLU CB
C B 0046 GLU C 2.448 C B 0047 ILE CA
C B 0046 GLU C 3.539 C B 0047 ILE C
C B 0046 GLU C 3.427 C B 0047 ILE CB
C B 0046 GLU C 3.472 C B 0047 ILE CG1
C B 0046 GLU CD 3.536 C B 0090 HIS CD2
C B 0046 GLU CD 3.255 C B 0090 HIS CE1
C B 0047 ILE C 2.433 C B 0048 LYS CA
C B 0047 ILE C 3.618 C B 0048 LYS C
C B 0047 ILE C 3.294 C B 0048 LYS CB
C B 0048 LYS C 2.417 C B 0049 GLU CA
C B 0048 LYS C 3.050 C B 0049 GLU C
C B 0048 LYS C 3.688 C B 0049 GLU CB
C B 0049 GLU C 2.428 H B 0050 GLN CA
C B 0049 GLU C 2.875 H B 0050 GLN C
C B 0049 GLU C 3.680 H B 0050 GLN CB
C B 0049 GLU CB 3.413 H B 0052 VAL CG2
H B 0050 GLN C 2.423 H B 0051 GLU CA
H B 0050 GLN C 3.076 H B 0051 GLU C
H B 0050 GLN C 3.694 H B 0051 GLU CB
H B 0051 GLU C 2.410 H B 0052 VAL CA
H B 0051 GLU C 3.025 H B 0052 VAL C
H B 0051 GLU C 3.685 H B 0052 VAL CB
H B 0052 VAL C 2.412 H B 0053 VAL CA
H B 0052 VAL C 2.967 H B 0053 VAL C
H B 0052 VAL C 3.685 H B 0053 VAL CB
H B 0052 VAL CG1 3.434 H B 0083 ALA CB
H B 0053 VAL C 2.422 H B 0054 ASP CA
H B 0053 VAL C 2.935 H B 0054 ASP C
H B 0053 VAL C 3.693 H B 0054 ASP CB
H B 0054 ASP C 2.419 H B 0055 LYS CA
H B 0054 ASP C 3.054 H B 0055 LYS C
H B 0054 ASP C 3.691 H B 0055 LYS CB
H B 0055 LYS C 2.417 H B 0056 VAL CA
H B 0055 LYS C 2.976 H B 0056 VAL C
H B 0055 LYS C 3.693 H B 0056 VAL CB
H B 0056 VAL C 2.422 H B 0057 MET CA
H B 0056 VAL C 2.906 H B 0057 MET C
H B 0056 VAL C 3.694 H B 0057 MET CB
H B 0056 VAL CG1 3.794 H B 0080 VAL CG2
H B 0057 MET C 2.429 H B 0058 GLU CA
H B 0057 MET C 3.172 H B 0058 GLU C
H B 0057 MET C 3.669 H B 0058 GLU CB
H B 0058 GLU C 2.409 H B 0059 THR CA
H B 0058 GLU C 2.992 H B 0059 THR C
H B 0058 GLU C 3.695 H B 0059 THR CB
H B 0059 THR C 2.415 H B 0060 LEU CA
H B 0059 THR C 2.917 H B 0060 LEU C
H B 0059 THR C 3.700 H B 0060 LEU CB
H B 0059 THR CB 3.794 H B 0076 PHE CE1
H B 0059 THR CG2 3.580 H B 0076 PHE CE1
H B 0060 LEU C 2.417 H B 0061 ASP CA
H B 0060 LEU C 2.885 H B 0061 ASP C
H B 0060 LEU C 3.688 H B 0061 ASP CB
H B 0060 LEU CD2 3.409 H B 0076 PHE CG
H B 0060 LEU CD2 3.201 H B 0076 PHE CD1
H B 0060 LEU CD2 3.683 H B 0076 PHE CD2
H B 0060 LEU CD2 3.295 H B 0076 PHE CE1
H B 0060 LEU CD2 3.764 H B 0076 PHE CE2
H B 0060 LEU CD2 3.581 H B 0076 PHE CZ
H B 0061 ASP C 2.442 H B 0062 GLU CA
H B 0061 ASP C 3.342 H B 0062 GLU C
H B 0061 ASP C 3.579 H B 0062 GLU CB
H B 0062 GLU CA 3.790 C B 0063 ASP CA
H B 0062 GLU C 2.421 C B 0063 ASP CA
H B 0062 GLU C 2.858 C B 0063 ASP C
H B 0062 GLU C 3.636 C B 0063 ASP CB
C B 0063 ASP C 2.430 C B 0064 GLY CA
C B 0063 ASP C 2.973 C B 0064 GLY C
C B 0064 GLY C 2.456 C B 0065 ASP CA
C B 0064 GLY C 3.466 C B 0065 ASP C
C B 0064 GLY C 3.567 C B 0065 ASP CB
C B 0065 ASP C 2.432 C B 0066 GLY CA
C B 0065 ASP C 3.162 C B 0066 GLY C
C B 0066 GLY C 2.430 C B 0067 GLU CA
C B 0066 GLY C 3.659 C B 0067 GLU C
C B 0066 GLY C 3.215 C B 0067 GLU CB
C B 0066 GLY C 3.089 C B 0067 GLU CG
C B 0067 GLU C 2.445 C B 0068 CYS CA
C B 0067 GLU C 3.366 C B 0068 CYS C
C B 0067 GLU C 3.586 C B 0068 CYS CB
C B 0068 CYS C 2.428 C B 0069 ASP CA
C B 0068 CYS C 3.174 C B 0069 ASP C
C B 0068 CYS C 3.664 C B 0069 ASP CB
C B 0069 ASP C 2.428 H B 0070 PHE CA
C B 0069 ASP C 3.065 H B 0070 PHE C
C B 0069 ASP C 3.690 H B 0070 PHE CB
H B 0070 PHE C 2.416 H B 0071 GLN CA
H B 0070 PHE C 2.940 H B 0071 GLN C
H B 0070 PHE C 3.690 H B 0071 GLN CB
H B 0071 GLN C 2.423 H B 0072 GLU CA
H B 0071 GLN C 3.078 H B 0072 GLU C
H B 0071 GLN C 3.689 H B 0072 GLU CB
H B 0072 GLU C 2.433 H B 0073 PHE CA
H B 0072 GLU C 3.102 H B 0073 PHE C
H B 0072 GLU C 3.690 H B 0073 PHE CB
H B 0073 PHE C 2.396 H B 0074 MET CA
H B 0073 PHE C 2.984 H B 0074 MET C
H B 0073 PHE C 3.686 H B 0074 MET CB
H B 0073 PHE CD1 3.654 H B 0077 VAL CG2
H B 0073 PHE CE1 3.303 H B 0077 VAL CG2
H B 0073 PHE CE2 3.592 H B 0077 VAL CG2
H B 0073 PHE CZ 3.270 H B 0077 VAL CG2
H B 0074 MET C 2.420 H B 0075 ALA CA
H B 0074 MET C 3.123 H B 0075 ALA C
H B 0074 MET C 3.672 H B 0075 ALA CB
H B 0075 ALA C 2.419 H B 0076 PHE CA
H B 0075 ALA C 2.925 H B 0076 PHE C
H B 0075 ALA C 3.716 H B 0076 PHE CB
H B 0076 PHE C 2.416 H B 0077 VAL CA
H B 0076 PHE C 3.023 H B 0077 VAL C
H B 0076 PHE C 3.686 H B 0077 VAL CB
H B 0077 VAL C 2.423 H B 0078 SER CA
H B 0077 VAL C 3.059 H B 0078 SER C
H B 0077 VAL C 3.688 H B 0078 SER CB
H B 0078 SER C 2.420 H B 0079 MET CA
H B 0078 SER C 2.893 H B 0079 MET C
H B 0078 SER C 3.688 H B 0079 MET CB
H B 0079 MET C 2.416 H B 0080 VAL CA
H B 0079 MET C 2.953 H B 0080 VAL C
H B 0079 MET C 3.691 H B 0080 VAL CB
H B 0080 VAL C 2.417 H B 0081 THR CA
H B 0080 VAL C 3.025 H B 0081 THR C
H B 0080 VAL C 3.687 H B 0081 THR CB
H B 0080 VAL C 3.794 H B 0083 ALA CB
H B 0081 THR C 2.429 H B 0082 THR CA
H B 0081 THR C 3.087 H B 0082 THR C
H B 0081 THR C 3.690 H B 0082 THR CB
H B 0082 THR C 2.422 H B 0083 ALA CA
H B 0082 THR C 2.875 H B 0083 ALA C
H B 0082 THR C 3.697 H B 0083 ALA CB
H B 0083 ALA C 2.417 H B 0084 CYS CA
H B 0083 ALA C 3.052 H B 0084 CYS C
H B 0083 ALA C 3.682 H B 0084 CYS CB
H B 0084 CYS C 2.432 H B 0085 HIS CA
H B 0084 CYS C 2.870 H B 0085 HIS C
H B 0084 CYS C 3.688 H B 0085 HIS CB
H B 0085 HIS C 2.426 H B 0086 GLU CA
H B 0085 HIS C 2.952 H B 0086 GLU C
H B 0085 HIS C 2.992 H B 0086 GLU CB
H B 0086 GLU C 2.419 H B 0087 PHE CA
H B 0086 GLU C 3.020 H B 0087 PHE C
H B 0086 GLU C 3.698 H B 0087 PHE CB
H B 0086 GLU CD 3.524 H B 0089 GLU CB
H B 0087 PHE C 2.427 H B 0088 PHE CA
H B 0087 PHE C 2.901 H B 0088 PHE C
H B 0087 PHE C 3.696 H B 0088 PHE CB
H B 0087 PHE CE1 3.690 H B 0088 PHE CE2
H B 0087 PHE CE2 3.737 H B 0088 PHE CD1
H B 0087 PHE CE2 3.787 H B 0088 PHE CD2
H B 0087 PHE CE2 3.197 H B 0088 PHE CE1
H B 0087 PHE CE2 3.255 H B 0088 PHE CE2
H B 0087 PHE CE2 2.922 H B 0088 PHE CZ
H B 0087 PHE CZ 3.109 H B 0088 PHE CE2
H B 0087 PHE CZ 3.017 H B 0088 PHE CZ
H B 0088 PHE C 2.421 H B 0089 GLU CA
H B 0088 PHE C 3.070 H B 0089 GLU C
H B 0088 PHE C 3.684 H B 0089 GLU CB
H B 0089 GLU C 2.423 C B 0090 HIS CA
H B 0089 GLU C 3.086 C B 0090 HIS C
H B 0089 GLU C 3.680 C B 0090 HIS CB
C B 0090 HIS C 2.425 C B 0091 GLU CA
C B 0090 HIS C 3.664 C B 0091 GLU C
C B 0090 HIS C 3.159 C B 0091 GLU CB
CHARGE_ATTR 2.00 12.00 149
H B 0002 GLU OE1 3.879 H B 0005 LYS NZ
H B 0002 GLU OE2 5.744 H B 0005 LYS NZ
H B 0004 GLU OE1 10.09 H B 0005 LYS NZ
H B 0004 GLU OE2 9.111 H B 0005 LYS NZ
H B 0012 ASP OD1 7.657 H B 0015 HIS ND1
H B 0012 ASP OD1 7.794 H B 0015 HIS NE2
H B 0012 ASP OD2 9.464 H B 0015 HIS ND1
H B 0012 ASP OD2 9.581 H B 0015 HIS NE2
C B 0021 GLU OE1 11.89 H B 0015 HIS NE2
C B 0021 GLU OE1 7.086 C B 0020 ARG NH1
C B 0021 GLU OE1 5.952 C B 0020 ARG NH2
C B 0021 GLU OE2 8.714 C B 0020 ARG NH1
C B 0021 GLU OE2 7.606 C B 0020 ARG NH2
C B 0021 GLU OE1 9.447 C B 0024 LYS NZ
C B 0021 GLU OE2 10.25 C B 0024 LYS NZ
C B 0023 ASP OD1 10.48 H B 0015 HIS ND1
C B 0023 ASP OD1 10.01 H B 0015 HIS NE2
C B 0023 ASP OD1 11.18 C B 0020 ARG NH1
C B 0023 ASP OD1 9.247 C B 0020 ARG NH2
C B 0023 ASP OD2 10.62 C B 0020 ARG NH2
C B 0023 ASP OD1 9.746 C B 0024 LYS NZ
C B 0023 ASP OD2 8.730 C B 0024 LYS NZ
C B 0023 ASP OD1 8.983 C B 0025 HIS ND1
C B 0023 ASP OD1 8.392 C B 0025 HIS NE2
C B 0023 ASP OD2 10.11 C B 0025 HIS ND1
C B 0023 ASP OD2 9.185 C B 0025 HIS NE2
H B 0031 GLU OE1 8.382 C B 0020 ARG NH1
H B 0031 GLU OE1 9.548 C B 0020 ARG NH2
H B 0031 GLU OE2 7.959 C B 0020 ARG NH1
H B 0031 GLU OE2 8.727 C B 0020 ARG NH2
H B 0031 GLU OE2 12.00 C B 0024 LYS NZ
H B 0031 GLU OE1 6.210 C B 0028 LYS NZ
H B 0031 GLU OE2 5.281 C B 0028 LYS NZ
H B 0031 GLU OE1 9.800 H B 0029 LYS NZ
H B 0031 GLU OE2 9.960 H B 0029 LYS NZ
H B 0031 GLU OE1 11.14 H B 0033 LYS NZ
H B 0034 GLU OE1 7.754 C B 0020 ARG NH1
H B 0034 GLU OE1 9.232 C B 0020 ARG NH2
H B 0034 GLU OE2 9.781 C B 0020 ARG NH1
H B 0034 GLU OE2 11.31 C B 0020 ARG NH2
H B 0034 GLU OE1 9.177 H B 0033 LYS NZ
H B 0034 GLU OE2 7.957 H B 0033 LYS NZ
H B 0034 GLU OE2 11.12 H B 0042 HIS ND1
H B 0034 GLU OE2 11.68 H B 0042 HIS NE2
H B 0039 GLU OE1 7.987 H B 0042 HIS ND1
H B 0039 GLU OE1 9.414 H B 0042 HIS NE2
H B 0039 GLU OE2 6.108 H B 0042 HIS ND1
H B 0039 GLU OE2 7.630 H B 0042 HIS NE2
H B 0045 GLU OE1 9.476 H B 0042 HIS ND1
H B 0045 GLU OE1 9.258 H B 0042 HIS NE2
H B 0045 GLU OE2 11.47 H B 0042 HIS ND1
H B 0045 GLU OE2 11.16 H B 0042 HIS NE2
H B 0045 GLU OE1 8.412 C B 0090 HIS ND1
H B 0045 GLU OE1 7.608 C B 0090 HIS NE2
H B 0045 GLU OE2 9.297 C B 0090 HIS ND1
H B 0045 GLU OE2 8.945 C B 0090 HIS NE2
C B 0046 GLU OE1 11.52 H B 0042 HIS ND1
C B 0046 GLU OE2 9.690 H B 0042 HIS ND1
C B 0046 GLU OE2 10.46 H B 0042 HIS NE2
C B 0046 GLU OE1 10.62 H B 0085 HIS NE2
C B 0046 GLU OE1 3.230 C B 0090 HIS ND1
C B 0046 GLU OE1 3.214 C B 0090 HIS NE2
C B 0046 GLU OE2 3.837 C B 0090 HIS ND1
C B 0046 GLU OE2 2.533 C B 0090 HIS NE2
C B 0049 GLU OE1 5.432 C B 0048 LYS NZ
C B 0049 GLU OE2 6.772 C B 0048 LYS NZ
C B 0049 GLU OE1 11.59 H B 0055 LYS NZ
C B 0049 GLU OE2 10.40 H B 0055 LYS NZ
C B 0049 GLU OE1 5.342 H B 0085 HIS ND1
C B 0049 GLU OE1 4.648 H B 0085 HIS NE2
C B 0049 GLU OE2 5.287 H B 0085 HIS ND1
C B 0049 GLU OE2 5.490 H B 0085 HIS NE2
H B 0051 GLU OE1 11.04 C B 0048 LYS NZ
H B 0051 GLU OE2 10.74 C B 0048 LYS NZ
H B 0051 GLU OE1 6.597 H B 0055 LYS NZ
H B 0051 GLU OE2 5.998 H B 0055 LYS NZ
H B 0051 GLU OE1 11.75 H B 0085 HIS ND1
H B 0051 GLU OE1 11.55 H B 0085 HIS NE2
H B 0051 GLU OE2 10.45 H B 0085 HIS ND1
H B 0051 GLU OE2 10.56 H B 0085 HIS NE2
H B 0054 ASP OD1 11.51 H B 0033 LYS NZ
H B 0054 ASP OD1 9.397 H B 0055 LYS NZ
H B 0054 ASP OD2 7.438 H B 0055 LYS NZ
H B 0058 GLU OE1 11.61 H B 0029 LYS NZ
H B 0058 GLU OE2 11.91 H B 0029 LYS NZ
H B 0058 GLU OE1 9.428 H B 0055 LYS NZ
H B 0058 GLU OE2 8.185 H B 0055 LYS NZ
H B 0061 ASP OD1 10.89 C B 0028 LYS NZ
H B 0061 ASP OD2 10.47 C B 0028 LYS NZ
H B 0061 ASP OD1 4.545 H B 0029 LYS NZ
H B 0061 ASP OD2 5.168 H B 0029 LYS NZ
H B 0061 ASP OD1 12.00 H B 0033 LYS NZ
H B 0061 ASP OD2 10.23 H B 0033 LYS NZ
H B 0062 GLU OE1 6.780 H B 0029 LYS NZ
H B 0062 GLU OE2 6.930 H B 0029 LYS NZ
C B 0063 ASP OD1 10.65 C B 0026 LYS NZ
C B 0063 ASP OD2 10.02 C B 0026 LYS NZ
C B 0063 ASP OD1 9.996 C B 0028 LYS NZ
C B 0063 ASP OD2 8.095 C B 0028 LYS NZ
C B 0063 ASP OD1 6.672 H B 0029 LYS NZ
C B 0063 ASP OD2 5.619 H B 0029 LYS NZ
C B 0065 ASP OD2 11.75 C B 0024 LYS NZ
C B 0065 ASP OD1 8.096 C B 0026 LYS NZ
C B 0065 ASP OD2 6.533 C B 0026 LYS NZ
C B 0065 ASP OD2 11.75 C B 0028 LYS NZ
C B 0065 ASP OD1 11.21 H B 0029 LYS NZ
C B 0065 ASP OD2 10.53 H B 0029 LYS NZ
C B 0067 GLU OE1 5.396 C B 0024 LYS NZ
C B 0067 GLU OE2 5.266 C B 0024 LYS NZ
C B 0067 GLU OE1 10.56 C B 0025 HIS ND1
C B 0067 GLU OE1 10.86 C B 0025 HIS NE2
C B 0067 GLU OE1 4.468 C B 0026 LYS NZ
C B 0067 GLU OE2 4.018 C B 0026 LYS NZ
C B 0067 GLU OE1 9.086 C B 0028 LYS NZ
C B 0067 GLU OE2 9.328 C B 0028 LYS NZ
C B 0069 ASP OD1 11.49 C B 0024 LYS NZ
C B 0069 ASP OD2 10.98 C B 0024 LYS NZ
C B 0069 ASP OD1 10.44 C B 0025 HIS ND1
C B 0069 ASP OD1 11.36 C B 0025 HIS NE2
C B 0069 ASP OD2 8.389 C B 0025 HIS ND1
C B 0069 ASP OD2 9.318 C B 0025 HIS NE2
C B 0069 ASP OD1 5.732 C B 0026 LYS NZ
C B 0069 ASP OD2 5.596 C B 0026 LYS NZ
H B 0072 GLU OE1 10.62 C B 0026 LYS NZ
H B 0072 GLU OE2 8.861 C B 0026 LYS NZ
H B 0072 GLU OE1 10.47 H B 0029 LYS NZ
H B 0072 GLU OE2 11.78 H B 0029 LYS NZ
H B 0086 GLU OE1 8.262 C B 0048 LYS NZ
H B 0086 GLU OE2 10.22 C B 0048 LYS NZ
H B 0086 GLU OE1 5.114 H B 0085 HIS ND1
H B 0086 GLU OE1 5.566 H B 0085 HIS NE2
H B 0086 GLU OE2 7.207 H B 0085 HIS ND1
H B 0086 GLU OE2 7.619 H B 0085 HIS NE2
H B 0086 GLU OE1 11.39 C B 0090 HIS ND1
H B 0086 GLU OE2 10.98 C B 0090 HIS ND1
H B 0089 GLU OE1 8.976 C B 0048 LYS NZ
H B 0089 GLU OE2 8.381 C B 0048 LYS NZ
H B 0089 GLU OE1 7.454 H B 0085 HIS ND1
H B 0089 GLU OE1 7.215 H B 0085 HIS NE2
H B 0089 GLU OE2 8.135 H B 0085 HIS ND1
H B 0089 GLU OE2 7.307 H B 0085 HIS NE2
H B 0089 GLU OE1 10.00 C B 0090 HIS ND1
H B 0089 GLU OE1 11.96 C B 0090 HIS NE2
H B 0089 GLU OE2 8.993 C B 0090 HIS ND1
H B 0089 GLU OE2 11.06 C B 0090 HIS NE2
C B 0091 GLU OE1 6.883 C B 0090 HIS ND1
C B 0091 GLU OE1 8.926 C B 0090 HIS NE2
C B 0091 GLU OE2 6.066 C B 0090 HIS ND1
C B 0091 GLU OE2 7.894 C B 0090 HIS NE2
CHARGE_REPU 2.00 12.00 158
H B 0002 GLU OE1 8.293 H B 0004 GLU OE1
H B 0002 GLU OE1 7.050 H B 0004 GLU OE2
H B 0002 GLU OE2 8.990 H B 0004 GLU OE1
H B 0002 GLU OE2 7.838 H B 0004 GLU OE2
H B 0012 ASP OD1 11.32 H B 0039 GLU OE1
H B 0012 ASP OD2 10.24 H B 0039 GLU OE1
H B 0012 ASP OD2 10.76 H B 0039 GLU OE2
H B 0015 HIS ND1 11.85 C B 0020 ARG NH1
H B 0015 HIS ND1 9.913 C B 0020 ARG NH2
H B 0015 HIS NE2 11.20 C B 0020 ARG NH1
H B 0015 HIS NE2 9.331 C B 0020 ARG NH2
H B 0015 HIS ND1 8.339 C B 0025 HIS ND1
H B 0015 HIS ND1 9.779 C B 0025 HIS NE2
H B 0015 HIS NE2 9.832 C B 0025 HIS ND1
H B 0015 HIS NE2 11.01 C B 0025 HIS NE2
C B 0021 GLU OE1 5.577 C B 0023 ASP OD1
C B 0021 GLU OE1 5.886 C B 0023 ASP OD2
C B 0021 GLU OE2 5.065 C B 0023 ASP OD1
C B 0021 GLU OE2 5.023 C B 0023 ASP OD2
C B 0021 GLU OE1 11.90 H B 0031 GLU OE1
C B 0021 GLU OE1 10.28 H B 0031 GLU OE2
C B 0021 GLU OE1 11.34 C B 0067 GLU OE1
C B 0024 LYS NZ 11.08 C B 0025 HIS ND1
C B 0024 LYS NZ 10.42 C B 0025 HIS NE2
C B 0024 LYS NZ 6.792 C B 0026 LYS NZ
C B 0024 LYS NZ 11.53 C B 0028 LYS NZ
C B 0025 HIS ND1 10.19 C B 0026 LYS NZ
C B 0025 HIS NE2 10.04 C B 0026 LYS NZ
C B 0028 LYS NZ 6.967 H B 0029 LYS NZ
H B 0031 GLU OE1 7.532 H B 0034 GLU OE1
H B 0031 GLU OE1 9.006 H B 0034 GLU OE2
H B 0031 GLU OE2 8.886 H B 0034 GLU OE1
H B 0031 GLU OE2 10.61 H B 0034 GLU OE2
H B 0031 GLU OE1 11.13 H B 0061 ASP OD2
H B 0031 GLU OE1 11.90 C B 0063 ASP OD1
H B 0031 GLU OE1 10.84 C B 0063 ASP OD2
H B 0031 GLU OE2 11.36 C B 0063 ASP OD1
H B 0031 GLU OE2 10.12 C B 0063 ASP OD2
H B 0031 GLU OE1 11.39 C B 0067 GLU OE1
H B 0031 GLU OE2 9.474 C B 0067 GLU OE1
H B 0031 GLU OE2 10.78 C B 0067 GLU OE2
H B 0034 GLU OE1 8.603 H B 0039 GLU OE1
H B 0034 GLU OE1 9.985 H B 0039 GLU OE2
H B 0034 GLU OE2 8.473 H B 0039 GLU OE1
H B 0034 GLU OE2 9.436 H B 0039 GLU OE2
H B 0042 HIS ND1 11.27 C B 0090 HIS NE2
H B 0042 HIS NE2 11.80 C B 0090 HIS NE2
H B 0045 GLU OE1 7.563 C B 0046 GLU OE1
H B 0045 GLU OE1 6.246 C B 0046 GLU OE2
H B 0045 GLU OE2 8.688 C B 0046 GLU OE1
H B 0045 GLU OE2 7.762 C B 0046 GLU OE2
H B 0045 GLU OE1 11.92 C B 0091 GLU OE2
H B 0045 GLU OE2 11.85 C B 0091 GLU OE2
C B 0046 GLU OE1 10.87 H B 0086 GLU OE1
C B 0046 GLU OE1 10.96 H B 0086 GLU OE2
C B 0046 GLU OE1 10.26 H B 0089 GLU OE1
C B 0046 GLU OE1 9.435 H B 0089 GLU OE2
C B 0046 GLU OE2 11.43 H B 0089 GLU OE2
C B 0046 GLU OE1 9.503 C B 0091 GLU OE1
C B 0046 GLU OE1 8.925 C B 0091 GLU OE2
C B 0046 GLU OE2 10.62 C B 0091 GLU OE1
C B 0046 GLU OE2 9.657 C B 0091 GLU OE2
C B 0048 LYS NZ 5.687 H B 0085 HIS ND1
C B 0048 LYS NZ 4.399 H B 0085 HIS NE2
C B 0049 GLU OE1 6.964 H B 0051 GLU OE1
C B 0049 GLU OE1 6.177 H B 0051 GLU OE2
C B 0049 GLU OE2 6.551 H B 0051 GLU OE1
C B 0049 GLU OE2 5.187 H B 0051 GLU OE2
C B 0049 GLU OE1 10.09 H B 0086 GLU OE1
C B 0049 GLU OE2 10.38 H B 0086 GLU OE1
C B 0049 GLU OE1 11.84 H B 0089 GLU OE1
C B 0049 GLU OE1 11.73 H B 0089 GLU OE2
H B 0051 GLU OE1 9.222 H B 0054 ASP OD1
H B 0051 GLU OE1 8.384 H B 0054 ASP OD2
H B 0051 GLU OE2 10.26 H B 0054 ASP OD1
H B 0051 GLU OE2 9.242 H B 0054 ASP OD2
H B 0054 ASP OD1 6.559 H B 0058 GLU OE1
H B 0054 ASP OD1 7.773 H B 0058 GLU OE2
H B 0054 ASP OD2 5.382 H B 0058 GLU OE1
H B 0054 ASP OD2 6.140 H B 0058 GLU OE2
H B 0054 ASP OD1 11.84 H B 0061 ASP OD1
H B 0054 ASP OD1 11.51 H B 0061 ASP OD2
H B 0054 ASP OD2 11.59 H B 0061 ASP OD1
H B 0054 ASP OD2 11.64 H B 0061 ASP OD2
H B 0054 ASP OD2 11.32 H B 0062 GLU OE2
H B 0058 GLU OE1 7.491 H B 0061 ASP OD1
H B 0058 GLU OE1 8.305 H B 0061 ASP OD2
H B 0058 GLU OE2 8.280 H B 0061 ASP OD1
H B 0058 GLU OE2 9.445 H B 0061 ASP OD2
H B 0058 GLU OE1 7.649 H B 0062 GLU OE1
H B 0058 GLU OE1 6.206 H B 0062 GLU OE2
H B 0058 GLU OE2 7.047 H B 0062 GLU OE1
H B 0058 GLU OE2 6.145 H B 0062 GLU OE2
H B 0061 ASP OD1 5.369 H B 0062 GLU OE1
H B 0061 ASP OD1 4.128 H B 0062 GLU OE2
H B 0061 ASP OD2 7.495 H B 0062 GLU OE1
H B 0061 ASP OD2 6.194 H B 0062 GLU OE2
H B 0061 ASP OD1 9.684 C B 0063 ASP OD1
H B 0061 ASP OD1 9.415 C B 0063 ASP OD2
H B 0061 ASP OD2 10.55 C B 0063 ASP OD1
H B 0061 ASP OD2 10.20 C B 0063 ASP OD2
H B 0062 GLU OE1 8.938 C B 0063 ASP OD1
H B 0062 GLU OE1 9.156 C B 0063 ASP OD2
H B 0062 GLU OE2 10.32 C B 0063 ASP OD1
H B 0062 GLU OE2 10.42 C B 0063 ASP OD2
H B 0062 GLU OE1 11.95 C B 0065 ASP OD1
H B 0062 GLU OE1 11.74 H B 0072 GLU OE1
C B 0063 ASP OD1 5.782 C B 0065 ASP OD1
C B 0063 ASP OD1 5.108 C B 0065 ASP OD2
C B 0063 ASP OD2 6.166 C B 0065 ASP OD1
C B 0063 ASP OD2 5.091 C B 0065 ASP OD2
C B 0063 ASP OD1 9.195 C B 0067 GLU OE1
C B 0063 ASP OD1 9.423 C B 0067 GLU OE2
C B 0063 ASP OD2 8.042 C B 0067 GLU OE1
C B 0063 ASP OD2 8.078 C B 0067 GLU OE2
C B 0063 ASP OD1 7.821 C B 0069 ASP OD1
C B 0063 ASP OD1 9.764 C B 0069 ASP OD2
C B 0063 ASP OD2 8.385 C B 0069 ASP OD1
C B 0063 ASP OD2 10.18 C B 0069 ASP OD2
C B 0063 ASP OD1 4.015 H B 0072 GLU OE1
C B 0063 ASP OD1 5.188 H B 0072 GLU OE2
C B 0063 ASP OD2 5.905 H B 0072 GLU OE1
C B 0063 ASP OD2 6.608 H B 0072 GLU OE2
C B 0065 ASP OD1 9.206 C B 0067 GLU OE1
C B 0065 ASP OD1 8.512 C B 0067 GLU OE2
C B 0065 ASP OD2 7.104 C B 0067 GLU OE1
C B 0065 ASP OD2 6.594 C B 0067 GLU OE2
C B 0065 ASP OD1 6.495 C B 0069 ASP OD1
C B 0065 ASP OD1 8.495 C B 0069 ASP OD2
C B 0065 ASP OD2 5.228 C B 0069 ASP OD1
C B 0065 ASP OD2 7.154 C B 0069 ASP OD2
C B 0065 ASP OD1 6.113 H B 0072 GLU OE1
C B 0065 ASP OD1 5.501 H B 0072 GLU OE2
C B 0065 ASP OD2 5.757 H B 0072 GLU OE1
C B 0065 ASP OD2 4.884 H B 0072 GLU OE2
C B 0067 GLU OE1 6.948 C B 0069 ASP OD1
C B 0067 GLU OE1 7.090 C B 0069 ASP OD2
C B 0067 GLU OE2 7.655 C B 0069 ASP OD1
C B 0067 GLU OE2 8.066 C B 0069 ASP OD2
C B 0067 GLU OE1 10.22 H B 0072 GLU OE1
C B 0067 GLU OE1 9.063 H B 0072 GLU OE2
C B 0067 GLU OE2 10.81 H B 0072 GLU OE1
C B 0067 GLU OE2 9.659 H B 0072 GLU OE2
C B 0069 ASP OD1 5.901 H B 0072 GLU OE1
C B 0069 ASP OD1 3.823 H B 0072 GLU OE2
C B 0069 ASP OD2 7.786 H B 0072 GLU OE1
C B 0069 ASP OD2 5.753 H B 0072 GLU OE2
H B 0086 GLU OE1 2.886 H B 0089 GLU OE1
H B 0086 GLU OE1 4.559 H B 0089 GLU OE2
H B 0086 GLU OE2 2.520 H B 0089 GLU OE1
H B 0086 GLU OE2 4.614 H B 0089 GLU OE2
H B 0086 GLU OE1 10.86 C B 0091 GLU OE1
H B 0086 GLU OE2 9.874 C B 0091 GLU OE1
H B 0086 GLU OE2 11.52 C B 0091 GLU OE2
H B 0089 GLU OE1 8.184 C B 0091 GLU OE1
H B 0089 GLU OE1 9.796 C B 0091 GLU OE2
H B 0089 GLU OE2 6.934 C B 0091 GLU OE1
H B 0089 GLU OE2 8.338 C B 0091 GLU OE2
HB_MM 2.00 3.20 176
C B 0001 SER N 2.196 C B 0000 MET O
H B 0002 GLU N 2.196 C B 0001 SER O
H B 0003 LEU N 2.988 C B 0001 SER O
H B 0003 LEU N 2.195 H B 0002 GLU O
H B 0004 GLU N 3.011 C B 0001 SER O
H B 0004 GLU N 2.195 H B 0003 LEU O
H B 0005 LYS N 3.099 H B 0003 LEU O
H B 0005 LYS N 2.200 H B 0004 GLU O
H B 0006 ALA N 2.791 H B 0003 LEU O
H B 0006 ALA N 2.997 H B 0004 GLU O
H B 0006 ALA N 2.203 H B 0005 LYS O
H B 0007 MET N 2.724 H B 0003 LEU O
H B 0007 MET N 2.816 H B 0004 GLU O
H B 0007 MET N 2.188 H B 0006 ALA O
H B 0008 VAL N 2.984 H B 0004 GLU O
H B 0008 VAL N 2.201 H B 0007 MET O
H B 0009 ALA N 3.084 H B 0006 ALA O
H B 0009 ALA N 2.198 H B 0008 VAL O
H B 0010 LEU N 3.010 H B 0006 ALA O
H B 0010 LEU N 2.190 H B 0009 ALA O
H B 0011 ILE N 3.049 H B 0008 VAL O
H B 0011 ILE N 3.009 H B 0009 ALA O
H B 0011 ILE N 2.201 H B 0010 LEU O
H B 0012 ASP N 2.871 H B 0008 VAL O
H B 0012 ASP N 2.713 H B 0009 ALA O
H B 0012 ASP N 2.204 H B 0011 ILE O
H B 0013 VAL N 2.829 H B 0009 ALA O
H B 0013 VAL N 3.164 H B 0011 ILE O
H B 0013 VAL N 2.203 H B 0012 ASP O
H B 0014 PHE N 2.826 H B 0010 LEU O
H B 0014 PHE N 3.128 H B 0011 ILE O
H B 0014 PHE N 2.183 H B 0013 VAL O
H B 0015 HIS N 2.837 H B 0011 ILE O
H B 0015 HIS N 3.184 H B 0013 VAL O
H B 0015 HIS N 2.202 H B 0014 PHE O
H B 0016 GLN N 3.094 H B 0012 ASP O
H B 0016 GLN N 3.160 H B 0013 VAL O
H B 0016 GLN N 2.199 H B 0015 HIS O
H B 0017 TYR N 3.181 H B 0015 HIS O
H B 0017 TYR N 2.193 H B 0016 GLN O
H B 0018 SER N 3.102 H B 0015 HIS O
H B 0018 SER N 2.199 H B 0017 TYR O
H B 0019 GLY N 3.056 H B 0015 HIS O
H B 0019 GLY N 2.205 H B 0018 SER O
C B 0020 ARG N 2.199 H B 0019 GLY O
C B 0021 GLU N 2.193 C B 0020 ARG O
C B 0022 GLY N 2.194 C B 0021 GLU O
C B 0023 ASP N 2.422 C B 0021 GLU O
C B 0023 ASP N 2.196 C B 0022 GLY O
C B 0024 LYS N 3.194 C B 0022 GLY O
C B 0024 LYS N 2.198 C B 0023 ASP O
C B 0025 HIS N 2.201 C B 0024 LYS O
C B 0026 LYS N 2.208 C B 0025 HIS O
C B 0027 LEU N 2.203 C B 0026 LYS O
C B 0027 LEU N 2.739 C B 0068 CYS O
C B 0028 LYS N 2.198 C B 0027 LEU O
H B 0029 LYS N 2.194 C B 0028 LYS O
H B 0030 SER N 2.196 H B 0029 LYS O
H B 0031 GLU N 3.148 H B 0029 LYS O
H B 0031 GLU N 2.201 H B 0030 SER O
H B 0032 LEU N 2.785 C B 0028 LYS O
H B 0032 LEU N 3.044 H B 0029 LYS O
H B 0032 LEU N 2.200 H B 0031 GLU O
H B 0033 LYS N 2.718 H B 0029 LYS O
H B 0033 LYS N 2.187 H B 0032 LEU O
H B 0034 GLU N 2.198 H B 0033 LYS O
H B 0035 LEU N 3.143 H B 0031 GLU O
H B 0035 LEU N 2.795 H B 0032 LEU O
H B 0035 LEU N 2.812 H B 0033 LYS O
H B 0035 LEU N 2.193 H B 0034 GLU O
H B 0036 ILE N 3.118 H B 0032 LEU O
H B 0036 ILE N 2.548 H B 0033 LYS O
H B 0036 ILE N 2.192 H B 0035 LEU O
H B 0037 ASN N 3.049 H B 0033 LYS O
H B 0037 ASN N 3.089 H B 0034 GLU O
H B 0037 ASN N 2.198 H B 0036 ILE O
H B 0038 ASN N 3.160 H B 0035 LEU O
H B 0038 ASN N 2.202 H B 0037 ASN O
H B 0039 GLU N 2.736 H B 0035 LEU O
H B 0039 GLU N 2.203 H B 0038 ASN O
C B 0040 LEU N 2.930 H B 0036 ILE O
C B 0040 LEU N 2.204 H B 0039 GLU O
H B 0041 SER N 2.196 C B 0040 LEU O
H B 0042 HIS N 2.195 H B 0041 SER O
H B 0043 PHE N 2.195 H B 0042 HIS O
H B 0044 LEU N 3.097 H B 0042 HIS O
H B 0044 LEU N 2.196 H B 0043 PHE O
H B 0045 GLU N 2.720 H B 0043 PHE O
H B 0045 GLU N 2.190 H B 0044 LEU O
C B 0046 GLU N 2.705 H B 0043 PHE O
C B 0046 GLU N 2.196 H B 0045 GLU O
C B 0047 ILE N 3.095 H B 0045 GLU O
C B 0047 ILE N 2.203 C B 0046 GLU O
C B 0048 LYS N 2.198 C B 0047 ILE O
C B 0049 GLU N 2.195 C B 0048 LYS O
H B 0050 GLN N 2.511 C B 0048 LYS O
H B 0050 GLN N 2.198 C B 0049 GLU O
H B 0051 GLU N 2.625 C B 0049 GLU O
H B 0051 GLU N 2.196 H B 0050 GLN O
H B 0052 VAL N 2.509 C B 0049 GLU O
H B 0052 VAL N 2.188 H B 0051 GLU O
H B 0053 VAL N 2.191 H B 0052 VAL O
H B 0054 ASP N 2.944 H B 0050 GLN O
H B 0054 ASP N 2.198 H B 0053 VAL O
H B 0055 LYS N 3.187 H B 0052 VAL O
H B 0055 LYS N 2.197 H B 0054 ASP O
H B 0056 VAL N 3.183 H B 0052 VAL O
H B 0056 VAL N 2.941 H B 0053 VAL O
H B 0056 VAL N 2.191 H B 0055 LYS O
H B 0057 MET N 3.068 H B 0053 VAL O
H B 0057 MET N 2.197 H B 0056 VAL O
H B 0058 GLU N 2.820 H B 0056 VAL O
H B 0058 GLU N 2.198 H B 0057 MET O
H B 0059 THR N 2.657 H B 0055 LYS O
H B 0059 THR N 2.700 H B 0056 VAL O
H B 0059 THR N 2.191 H B 0058 GLU O
H B 0060 LEU N 2.765 H B 0056 VAL O
H B 0060 LEU N 2.189 H B 0059 THR O
H B 0061 ASP N 2.196 H B 0060 LEU O
H B 0062 GLU N 2.911 H B 0058 GLU O
H B 0062 GLU N 2.887 H B 0059 THR O
H B 0062 GLU N 2.715 H B 0060 LEU O
H B 0062 GLU N 2.204 H B 0061 ASP O
C B 0063 ASP N 2.752 H B 0060 LEU O
C B 0063 ASP N 2.181 H B 0062 GLU O
C B 0064 GLY N 2.808 H B 0062 GLU O
C B 0064 GLY N 2.198 C B 0063 ASP O
C B 0065 ASP N 2.400 C B 0063 ASP O
C B 0065 ASP N 2.203 C B 0064 GLY O
C B 0066 GLY N 2.189 C B 0065 ASP O
C B 0067 GLU N 2.884 C B 0065 ASP O
C B 0067 GLU N 2.197 C B 0066 GLY O
C B 0068 CYS N 2.671 C B 0027 LEU O
C B 0068 CYS N 2.204 C B 0067 GLU O
C B 0069 ASP N 2.196 C B 0068 CYS O
H B 0070 PHE N 2.201 C B 0069 ASP O
H B 0071 GLN N 2.191 H B 0070 PHE O
H B 0072 GLU N 3.162 H B 0070 PHE O
H B 0072 GLU N 2.195 H B 0071 GLN O
H B 0073 PHE N 2.909 H B 0070 PHE O
H B 0073 PHE N 2.194 H B 0072 GLU O
H B 0074 MET N 2.937 H B 0070 PHE O
H B 0074 MET N 2.180 H B 0073 PHE O
H B 0075 ALA N 2.185 H B 0074 MET O
H B 0076 PHE N 3.035 H B 0072 GLU O
H B 0076 PHE N 2.191 H B 0075 ALA O
H B 0077 VAL N 3.004 H B 0073 PHE O
H B 0077 VAL N 3.014 H B 0075 ALA O
H B 0077 VAL N 2.193 H B 0076 PHE O
H B 0078 SER N 2.832 H B 0075 ALA O
H B 0078 SER N 2.196 H B 0077 VAL O
H B 0079 MET N 3.038 H B 0075 ALA O
H B 0079 MET N 2.193 H B 0078 SER O
H B 0080 VAL N 3.178 H B 0078 SER O
H B 0080 VAL N 2.192 H B 0079 MET O
H B 0081 THR N 3.081 H B 0077 VAL O
H B 0081 THR N 2.931 H B 0078 SER O
H B 0081 THR N 2.194 H B 0080 VAL O
H B 0082 THR N 2.506 H B 0078 SER O
H B 0082 THR N 2.199 H B 0081 THR O
H B 0083 ALA N 2.412 H B 0079 MET O
H B 0083 ALA N 2.197 H B 0082 THR O
H B 0084 CYS N 2.989 H B 0082 THR O
H B 0084 CYS N 2.195 H B 0083 ALA O
H B 0085 HIS N 2.728 H B 0083 ALA O
H B 0085 HIS N 2.201 H B 0084 CYS O
H B 0086 GLU N 3.190 H B 0084 CYS O
H B 0086 GLU N 2.198 H B 0085 HIS O
H B 0087 PHE N 3.183 H B 0084 CYS O
H B 0087 PHE N 2.195 H B 0086 GLU O
H B 0088 PHE N 2.199 H B 0087 PHE O
H B 0089 GLU N 2.944 H B 0087 PHE O
H B 0089 GLU N 2.196 H B 0088 PHE O
C B 0090 HIS N 2.581 H B 0088 PHE O
C B 0090 HIS N 2.197 H B 0089 GLU O
C B 0091 GLU N 2.197 C B 0090 HIS O
HB_MS 2.00 3.20 13
C B 0001 SER N 3.058 H B 0004 GLU OE2
H B 0002 GLU N 3.200 C B 0001 SER OG
H B 0003 LEU N 3.129 C B 0001 SER OG
H B 0017 TYR O 2.907 C B 0020 ARG NH2
H B 0055 LYS O 2.361 H B 0059 THR OG1
H B 0061 ASP O 2.921 H B 0029 LYS NZ
C B 0066 GLY N 2.656 C B 0063 ASP OD2
C B 0067 GLU N 3.095 C B 0063 ASP OD2
H B 0075 ALA O 2.788 H B 0078 SER OG
H B 0077 VAL O 2.518 H B 0081 THR OG1
H B 0078 SER O 2.692 H B 0082 THR OG1
H B 0079 MET N 2.542 H B 0078 SER OG
H B 0079 MET O 3.084 H B 0082 THR OG1
HB_SS 2.00 3.20 2
H B 0004 GLU OE2 2.368 C B 0001 SER OG
H B 0031 GLU OE1 3.057 H B 0030 SER OG
AROMATIC 0.00 8.00 2
C B 0048 LYS 5.429 H B 0085 HIS
C B 0020 ARG 7.668 H B 0017 TYR