Complet list of 1qlk con file
Complete list of 1qlk.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 295
C A 0000 MET C 2.419 C A 0001 SER CA
C A 0000 MET C 3.049 C A 0001 SER C
C A 0000 MET C 3.690 C A 0001 SER CB
C A 0001 SER C 2.432 H A 0002 GLU CA
C A 0001 SER C 2.984 H A 0002 GLU C
C A 0001 SER C 3.702 H A 0002 GLU CB
H A 0002 GLU C 2.424 H A 0003 LEU CA
H A 0002 GLU C 2.964 H A 0003 LEU C
H A 0002 GLU C 3.697 H A 0003 LEU CB
H A 0002 GLU C 3.739 H A 0003 LEU CD2
H A 0003 LEU C 2.407 H A 0004 GLU CA
H A 0003 LEU C 2.942 H A 0004 GLU C
H A 0003 LEU C 3.681 H A 0004 GLU CB
H A 0004 GLU C 2.423 H A 0005 LYS CA
H A 0004 GLU C 3.054 H A 0005 LYS C
H A 0004 GLU C 3.699 H A 0005 LYS CB
H A 0005 LYS C 2.426 H A 0006 ALA CA
H A 0005 LYS C 3.057 H A 0006 ALA C
H A 0005 LYS C 3.693 H A 0006 ALA CB
H A 0006 ALA C 2.415 H A 0007 MET CA
H A 0006 ALA C 2.949 H A 0007 MET C
H A 0006 ALA C 3.690 H A 0007 MET CB
H A 0007 MET C 2.422 H A 0008 VAL CA
H A 0007 MET C 3.048 H A 0008 VAL C
H A 0007 MET C 3.688 H A 0008 VAL CB
H A 0008 VAL C 2.429 H A 0009 ALA CA
H A 0008 VAL C 3.037 H A 0009 ALA C
H A 0008 VAL C 3.702 H A 0009 ALA CB
H A 0009 ALA C 2.416 H A 0010 LEU CA
H A 0009 ALA C 2.949 H A 0010 LEU C
H A 0009 ALA C 3.692 H A 0010 LEU CB
H A 0010 LEU C 2.426 H A 0011 ILE CA
H A 0010 LEU C 3.074 H A 0011 ILE C
H A 0010 LEU C 3.686 H A 0011 ILE CB
H A 0011 ILE C 2.429 H A 0012 ASP CA
H A 0011 ILE C 2.995 H A 0012 ASP C
H A 0011 ILE C 3.693 H A 0012 ASP CB
H A 0012 ASP C 2.420 H A 0013 VAL CA
H A 0012 ASP C 2.973 H A 0013 VAL C
H A 0012 ASP C 3.695 H A 0013 VAL CB
H A 0013 VAL C 2.420 H A 0014 PHE CA
H A 0013 VAL C 2.982 H A 0014 PHE C
H A 0013 VAL C 3.688 H A 0014 PHE CB
H A 0014 PHE C 2.418 H A 0015 HIS CA
H A 0014 PHE C 3.012 H A 0015 HIS C
H A 0014 PHE C 3.690 H A 0015 HIS CB
H A 0014 PHE CG 3.677 H A 0070 PHE CD1
H A 0014 PHE CD1 3.718 H A 0070 PHE CD1
H A 0014 PHE CD2 3.662 H A 0070 PHE CD1
H A 0014 PHE CE1 3.745 H A 0070 PHE CD1
H A 0014 PHE CE2 3.689 H A 0070 PHE CD1
H A 0014 PHE CZ 3.731 H A 0070 PHE CD1
H A 0015 HIS C 2.425 H A 0016 GLN CA
H A 0015 HIS C 3.089 H A 0016 GLN C
H A 0015 HIS C 3.680 H A 0016 GLN CB
H A 0016 GLN C 2.427 H A 0017 TYR CA
H A 0016 GLN C 3.073 H A 0017 TYR C
H A 0016 GLN C 3.688 H A 0017 TYR CB
H A 0017 TYR C 2.423 H A 0018 SER CA
H A 0017 TYR C 3.107 H A 0018 SER C
H A 0017 TYR C 3.678 H A 0018 SER CB
H A 0018 SER C 2.426 H A 0019 GLY CA
H A 0018 SER C 3.141 H A 0019 GLY C
H A 0019 GLY C 2.416 H A 0020 ARG CA
H A 0019 GLY C 2.955 H A 0020 ARG C
H A 0019 GLY C 3.698 H A 0020 ARG CB
H A 0020 ARG C 2.437 C A 0021 GLU CA
H A 0020 ARG C 3.332 C A 0021 GLU C
H A 0020 ARG C 3.606 C A 0021 GLU CB
H A 0020 ARG C 3.674 C A 0021 GLU CG
H A 0020 ARG CZ 3.700 H A 0034 GLU CD
C A 0021 GLU C 2.423 C A 0022 GLY CA
C A 0021 GLU C 2.931 C A 0022 GLY C
C A 0021 GLU CD 3.472 H A 0031 GLU CD
C A 0022 GLY C 2.427 C A 0023 ASP CA
C A 0022 GLY C 3.171 C A 0023 ASP C
C A 0022 GLY C 3.663 C A 0023 ASP CB
C A 0023 ASP C 2.443 C A 0024 LYS CA
C A 0023 ASP C 3.408 C A 0024 LYS C
C A 0023 ASP C 3.557 C A 0024 LYS CB
C A 0024 LYS C 2.440 C A 0025 HIS CA
C A 0024 LYS C 3.361 C A 0025 HIS C
C A 0024 LYS C 3.596 C A 0025 HIS CB
C A 0025 HIS C 2.428 C A 0026 LYS CA
C A 0025 HIS C 3.653 C A 0026 LYS C
C A 0025 HIS C 3.231 C A 0026 LYS CB
C A 0025 HIS C 3.686 C A 0026 LYS CG
C A 0026 LYS C 2.452 C A 0027 LEU CA
C A 0026 LYS C 3.386 C A 0027 LEU C
C A 0026 LYS C 3.578 C A 0027 LEU CB
C A 0027 LEU C 2.442 C A 0028 LYS CA
C A 0027 LEU C 3.307 C A 0028 LYS C
C A 0027 LEU C 3.630 C A 0028 LYS CB
C A 0027 LEU CD1 3.637 H A 0031 GLU CD
C A 0028 LYS C 2.437 H A 0029 LYS CA
C A 0028 LYS C 3.017 H A 0029 LYS C
C A 0028 LYS C 3.696 H A 0029 LYS CB
H A 0029 LYS C 2.427 H A 0030 SER CA
H A 0029 LYS C 3.042 H A 0030 SER C
H A 0029 LYS C 3.694 H A 0030 SER CB
H A 0030 SER C 2.413 H A 0031 GLU CA
H A 0030 SER C 2.966 H A 0031 GLU C
H A 0030 SER C 3.692 H A 0031 GLU CB
H A 0031 GLU C 2.424 H A 0032 LEU CA
H A 0031 GLU C 2.969 H A 0032 LEU C
H A 0031 GLU C 3.698 H A 0032 LEU CB
H A 0032 LEU C 2.422 H A 0033 LYS CA
H A 0032 LEU C 2.957 H A 0033 LYS C
H A 0032 LEU C 3.701 H A 0033 LYS CB
H A 0033 LYS C 2.429 H A 0034 GLU CA
H A 0033 LYS C 3.006 H A 0034 GLU C
H A 0033 LYS C 3.699 H A 0034 GLU CB
H A 0034 GLU C 2.419 H A 0035 LEU CA
H A 0034 GLU C 2.952 H A 0035 LEU C
H A 0034 GLU C 3.688 H A 0035 LEU CB
H A 0035 LEU C 2.422 H A 0036 ILE CA
H A 0035 LEU C 3.007 H A 0036 ILE C
H A 0035 LEU C 3.694 H A 0036 ILE CB
H A 0036 ILE C 2.429 H A 0037 ASN CA
H A 0036 ILE C 3.074 H A 0037 ASN C
H A 0036 ILE C 3.690 H A 0037 ASN CB
H A 0037 ASN C 2.419 H A 0038 ASN CA
H A 0037 ASN C 2.880 H A 0038 ASN C
H A 0037 ASN C 3.692 H A 0038 ASN CB
H A 0038 ASN C 2.423 H A 0039 GLU CA
H A 0038 ASN C 3.681 H A 0039 GLU C
H A 0038 ASN C 3.108 H A 0039 GLU CB
H A 0039 GLU C 2.427 H A 0040 LEU CA
H A 0039 GLU C 3.233 H A 0040 LEU C
H A 0039 GLU C 3.626 H A 0040 LEU CB
H A 0040 LEU C 2.426 H A 0041 SER CA
H A 0040 LEU C 2.980 H A 0041 SER C
H A 0040 LEU C 3.695 H A 0041 SER CB
H A 0041 SER C 2.419 H A 0042 HIS CA
H A 0041 SER C 2.957 H A 0042 HIS C
H A 0041 SER C 3.691 H A 0042 HIS CB
H A 0042 HIS C 2.416 C A 0043 PHE CA
H A 0042 HIS C 3.043 C A 0043 PHE C
H A 0042 HIS C 3.682 C A 0043 PHE CB
C A 0043 PHE C 2.453 C A 0044 LEU CA
C A 0043 PHE C 3.524 C A 0044 LEU C
C A 0043 PHE C 3.462 C A 0044 LEU CB
C A 0043 PHE C 3.488 C A 0044 LEU CG
C A 0043 PHE CG 3.785 H A 0080 VAL CG1
C A 0043 PHE CD1 3.363 H A 0080 VAL CG1
C A 0043 PHE CE1 3.373 H A 0080 VAL CG1
C A 0044 LEU C 2.451 C A 0045 GLU CA
C A 0044 LEU C 3.560 C A 0045 GLU C
C A 0044 LEU C 3.417 C A 0045 GLU CB
C A 0045 GLU C 2.447 C A 0046 GLU CA
C A 0045 GLU C 3.371 C A 0046 GLU C
C A 0045 GLU C 3.601 C A 0046 GLU CB
C A 0046 GLU C 2.418 C A 0047 ILE CA
C A 0046 GLU C 3.080 C A 0047 ILE C
C A 0046 GLU C 3.689 C A 0047 ILE CB
C A 0047 ILE C 2.438 C A 0048 LYS CA
C A 0047 ILE C 3.674 C A 0048 LYS C
C A 0047 ILE C 3.173 C A 0048 LYS CB
C A 0047 ILE C 3.239 C A 0048 LYS CG
C A 0048 LYS C 2.440 C A 0049 GLU CA
C A 0048 LYS C 3.321 C A 0049 GLU C
C A 0048 LYS C 3.604 C A 0049 GLU CB
C A 0049 GLU C 2.423 H A 0050 GLN CA
C A 0049 GLU C 2.986 H A 0050 GLN C
C A 0049 GLU C 3.695 H A 0050 GLN CB
H A 0050 GLN C 2.419 H A 0051 GLU CA
H A 0050 GLN C 2.972 H A 0051 GLU C
H A 0050 GLN C 3.700 H A 0051 GLU CB
H A 0051 GLU C 2.422 H A 0052 VAL CA
H A 0051 GLU C 2.952 H A 0052 VAL C
H A 0051 GLU C 3.698 H A 0052 VAL CB
H A 0051 GLU CD 3.576 H A 0052 VAL CA
H A 0052 VAL C 2.417 H A 0053 VAL CA
H A 0052 VAL C 2.950 H A 0053 VAL C
H A 0052 VAL C 3.689 H A 0053 VAL CB
H A 0053 VAL C 2.425 H A 0054 ASP CA
H A 0053 VAL C 2.984 H A 0054 ASP C
H A 0053 VAL C 3.700 H A 0054 ASP CB
H A 0054 ASP C 2.423 H A 0055 LYS CA
H A 0054 ASP C 2.950 H A 0055 LYS C
H A 0054 ASP C 3.697 H A 0055 LYS CB
H A 0055 LYS C 2.432 H A 0056 VAL CA
H A 0055 LYS C 3.068 H A 0056 VAL C
H A 0055 LYS C 3.689 H A 0056 VAL CB
H A 0056 VAL C 2.419 H A 0057 MET CA
H A 0056 VAL C 2.965 H A 0057 MET C
H A 0056 VAL C 3.687 H A 0057 MET CB
H A 0057 MET C 2.413 H A 0058 GLU CA
H A 0057 MET C 2.987 H A 0058 GLU C
H A 0057 MET C 3.689 H A 0058 GLU CB
H A 0057 MET C 3.662 H A 0060 LEU CD2
H A 0058 GLU C 2.428 H A 0059 THR CA
H A 0058 GLU C 3.010 H A 0059 THR C
H A 0058 GLU C 3.691 H A 0059 THR CB
H A 0059 THR C 2.431 H A 0060 LEU CA
H A 0059 THR C 3.176 H A 0060 LEU C
H A 0059 THR C 3.689 H A 0060 LEU CB
H A 0059 THR CG2 3.490 H A 0079 MET CE
H A 0060 LEU C 2.422 C A 0061 ASP CA
H A 0060 LEU C 3.105 C A 0061 ASP C
H A 0060 LEU C 3.679 C A 0061 ASP CB
C A 0061 ASP C 2.437 C A 0062 GLU CA
C A 0061 ASP C 3.288 C A 0062 GLU C
C A 0061 ASP C 3.626 C A 0062 GLU CB
C A 0062 GLU C 2.441 C A 0063 ASP CA
C A 0062 GLU C 3.354 C A 0063 ASP C
C A 0062 GLU C 3.588 C A 0063 ASP CB
C A 0063 ASP C 2.422 C A 0064 GLY CA
C A 0063 ASP C 2.873 C A 0064 GLY C
C A 0063 ASP CG 3.731 C A 0065 ASP CB
C A 0064 GLY C 2.426 C A 0065 ASP CA
C A 0064 GLY C 3.194 C A 0065 ASP C
C A 0064 GLY C 3.649 C A 0065 ASP CB
C A 0065 ASP C 2.428 C A 0066 GLY CA
C A 0065 ASP C 3.226 C A 0066 GLY C
C A 0065 ASP CG 3.754 C A 0067 GLU C
C A 0065 ASP CG 3.474 C A 0067 GLU CG
C A 0066 GLY C 2.437 C A 0067 GLU CA
C A 0066 GLY C 3.592 C A 0067 GLU C
C A 0066 GLY C 3.318 C A 0067 GLU CB
C A 0067 GLU C 2.447 C A 0068 CYS CA
C A 0067 GLU C 3.443 C A 0068 CYS C
C A 0067 GLU C 3.530 C A 0068 CYS CB
C A 0068 CYS C 2.438 C A 0069 ASP CA
C A 0068 CYS C 3.242 C A 0069 ASP C
C A 0068 CYS C 3.648 C A 0069 ASP CB
C A 0069 ASP C 2.424 H A 0070 PHE CA
C A 0069 ASP C 2.990 H A 0070 PHE C
C A 0069 ASP C 3.690 H A 0070 PHE CB
H A 0070 PHE C 2.419 H A 0071 GLN CA
H A 0070 PHE C 2.963 H A 0071 GLN C
H A 0070 PHE C 3.694 H A 0071 GLN CB
H A 0071 GLN C 2.426 H A 0072 GLU CA
H A 0071 GLN C 3.017 H A 0072 GLU C
H A 0071 GLN C 3.706 H A 0072 GLU CB
H A 0072 GLU C 2.422 H A 0073 PHE CA
H A 0072 GLU C 2.944 H A 0073 PHE C
H A 0072 GLU C 3.692 H A 0073 PHE CB
H A 0073 PHE C 2.420 H A 0074 MET CA
H A 0073 PHE C 2.950 H A 0074 MET C
H A 0073 PHE C 3.697 H A 0074 MET CB
H A 0074 MET C 2.420 H A 0075 ALA CA
H A 0074 MET C 2.947 H A 0075 ALA C
H A 0074 MET C 3.690 H A 0075 ALA CB
H A 0075 ALA C 2.420 H A 0076 PHE CA
H A 0075 ALA C 2.967 H A 0076 PHE C
H A 0075 ALA C 3.700 H A 0076 PHE CB
H A 0076 PHE C 2.416 H A 0077 VAL CA
H A 0076 PHE C 2.939 H A 0077 VAL C
H A 0076 PHE C 3.690 H A 0077 VAL CB
H A 0076 PHE CE2 3.386 H A 0080 VAL CG2
H A 0077 VAL C 2.419 H A 0078 SER CA
H A 0077 VAL C 2.957 H A 0078 SER C
H A 0077 VAL C 3.691 H A 0078 SER CB
H A 0078 SER C 2.432 H A 0079 MET CA
H A 0078 SER C 2.995 H A 0079 MET C
H A 0078 SER C 3.690 H A 0079 MET CB
H A 0079 MET C 2.423 H A 0080 VAL CA
H A 0079 MET C 3.041 H A 0080 VAL C
H A 0079 MET C 3.696 H A 0080 VAL CB
H A 0080 VAL C 2.420 H A 0081 THR CA
H A 0080 VAL C 3.061 H A 0081 THR C
H A 0080 VAL C 3.681 H A 0081 THR CB
H A 0081 THR C 2.417 H A 0082 THR CA
H A 0081 THR C 3.057 H A 0082 THR C
H A 0081 THR C 3.677 H A 0082 THR CB
H A 0082 THR C 2.429 H A 0083 ALA CA
H A 0082 THR C 3.078 H A 0083 ALA C
H A 0082 THR C 3.688 H A 0083 ALA CB
H A 0083 ALA C 2.425 C A 0084 CYS CA
H A 0083 ALA C 3.046 C A 0084 CYS C
H A 0083 ALA C 3.694 C A 0084 CYS CB
C A 0084 CYS C 2.431 C A 0085 HIS CA
C A 0084 CYS C 3.171 C A 0085 HIS C
C A 0084 CYS C 3.668 C A 0085 HIS CB
C A 0085 HIS C 2.433 C A 0086 GLU CA
C A 0085 HIS C 3.225 C A 0086 GLU C
C A 0085 HIS C 3.643 C A 0086 GLU CB
C A 0086 GLU C 2.424 C A 0087 PHE CA
C A 0086 GLU C 3.040 C A 0087 PHE C
C A 0086 GLU C 3.692 C A 0087 PHE CB
C A 0087 PHE C 2.428 C A 0088 PHE CA
C A 0087 PHE C 3.074 C A 0088 PHE C
C A 0087 PHE C 3.701 C A 0088 PHE CB
C A 0087 PHE C 3.741 C A 0089 GLU CG
C A 0088 PHE C 2.432 C A 0089 GLU CA
C A 0088 PHE C 2.879 C A 0089 GLU C
C A 0088 PHE C 3.711 C A 0089 GLU CB
C A 0089 GLU C 2.418 C A 0090 HIS CA
C A 0089 GLU C 3.103 C A 0090 HIS C
C A 0089 GLU C 3.674 C A 0090 HIS CB
C A 0090 HIS C 2.420 C A 0091 GLU CA
C A 0090 HIS C 2.875 C A 0091 GLU C
C A 0090 HIS C 3.691 C A 0091 GLU CB
C A 0090 HIS CD2 3.729 C A 0091 GLU CG
CHARGE_ATTR 2.00 12.00 129
H A 0002 GLU OE1 7.123 H A 0005 LYS NZ
H A 0002 GLU OE2 5.355 H A 0005 LYS NZ
H A 0004 GLU OE1 11.85 H A 0005 LYS NZ
H A 0012 ASP OD1 6.673 H A 0015 HIS ND1
H A 0012 ASP OD1 7.976 H A 0015 HIS NE2
H A 0012 ASP OD2 8.591 H A 0015 HIS ND1
H A 0012 ASP OD2 9.645 H A 0015 HIS NE2
C A 0021 GLU OE1 9.992 H A 0015 HIS ND1
C A 0021 GLU OE1 11.64 H A 0015 HIS NE2
C A 0021 GLU OE2 11.89 H A 0015 HIS ND1
C A 0021 GLU OE1 6.309 H A 0020 ARG NH1
C A 0021 GLU OE1 5.111 H A 0020 ARG NH2
C A 0021 GLU OE2 5.874 H A 0020 ARG NH1
C A 0021 GLU OE2 4.093 H A 0020 ARG NH2
C A 0021 GLU OE1 10.06 C A 0024 LYS NZ
C A 0021 GLU OE2 11.53 C A 0024 LYS NZ
C A 0021 GLU OE1 11.65 C A 0026 LYS NZ
C A 0021 GLU OE2 11.39 C A 0026 LYS NZ
C A 0021 GLU OE1 9.088 C A 0028 LYS NZ
C A 0021 GLU OE2 8.366 C A 0028 LYS NZ
C A 0021 GLU OE2 11.93 H A 0033 LYS NZ
C A 0023 ASP OD1 11.33 H A 0020 ARG NH2
C A 0023 ASP OD2 11.61 H A 0020 ARG NH1
C A 0023 ASP OD2 9.617 H A 0020 ARG NH2
C A 0023 ASP OD1 6.927 C A 0024 LYS NZ
C A 0023 ASP OD2 8.662 C A 0024 LYS NZ
C A 0023 ASP OD1 9.574 C A 0025 HIS ND1
C A 0023 ASP OD1 10.52 C A 0025 HIS NE2
C A 0023 ASP OD2 10.76 C A 0025 HIS ND1
C A 0023 ASP OD2 11.86 C A 0025 HIS NE2
C A 0023 ASP OD1 4.766 C A 0026 LYS NZ
C A 0023 ASP OD2 5.705 C A 0026 LYS NZ
C A 0023 ASP OD1 3.904 C A 0028 LYS NZ
C A 0023 ASP OD2 3.311 C A 0028 LYS NZ
C A 0023 ASP OD1 11.26 H A 0029 LYS NZ
C A 0023 ASP OD2 9.838 H A 0029 LYS NZ
H A 0031 GLU OE1 10.99 H A 0015 HIS ND1
H A 0031 GLU OE2 10.32 H A 0015 HIS ND1
H A 0031 GLU OE1 8.199 H A 0020 ARG NH1
H A 0031 GLU OE1 6.681 H A 0020 ARG NH2
H A 0031 GLU OE2 6.482 H A 0020 ARG NH1
H A 0031 GLU OE2 5.359 H A 0020 ARG NH2
H A 0031 GLU OE1 11.75 C A 0024 LYS NZ
H A 0031 GLU OE2 11.93 C A 0024 LYS NZ
H A 0031 GLU OE1 11.10 C A 0025 HIS ND1
H A 0031 GLU OE1 10.72 C A 0026 LYS NZ
H A 0031 GLU OE1 7.924 C A 0028 LYS NZ
H A 0031 GLU OE2 9.597 C A 0028 LYS NZ
H A 0031 GLU OE1 11.72 H A 0029 LYS NZ
H A 0034 GLU OE1 3.107 H A 0020 ARG NH1
H A 0034 GLU OE1 2.406 H A 0020 ARG NH2
H A 0034 GLU OE2 3.647 H A 0020 ARG NH1
H A 0034 GLU OE2 2.891 H A 0020 ARG NH2
H A 0034 GLU OE1 7.874 H A 0033 LYS NZ
H A 0034 GLU OE2 6.719 H A 0033 LYS NZ
H A 0039 GLU OE1 10.82 H A 0042 HIS ND1
H A 0039 GLU OE1 11.62 H A 0042 HIS NE2
H A 0039 GLU OE2 9.660 H A 0042 HIS ND1
H A 0039 GLU OE2 10.13 H A 0042 HIS NE2
C A 0045 GLU OE1 8.873 H A 0042 HIS ND1
C A 0045 GLU OE1 8.177 H A 0042 HIS NE2
C A 0045 GLU OE2 10.09 H A 0042 HIS ND1
C A 0045 GLU OE2 9.418 H A 0042 HIS NE2
C A 0045 GLU OE1 10.97 C A 0048 LYS NZ
C A 0045 GLU OE2 10.28 C A 0048 LYS NZ
C A 0046 GLU OE1 7.211 C A 0048 LYS NZ
C A 0046 GLU OE2 6.877 C A 0048 LYS NZ
C A 0046 GLU OE1 11.76 H A 0055 LYS NZ
C A 0046 GLU OE2 10.71 H A 0055 LYS NZ
C A 0049 GLU OE1 7.377 C A 0048 LYS NZ
C A 0049 GLU OE2 5.714 C A 0048 LYS NZ
H A 0051 GLU OE1 10.51 C A 0048 LYS NZ
H A 0051 GLU OE2 8.749 C A 0048 LYS NZ
H A 0051 GLU OE1 7.071 H A 0055 LYS NZ
H A 0051 GLU OE2 7.506 H A 0055 LYS NZ
H A 0054 ASP OD1 9.814 H A 0029 LYS NZ
H A 0054 ASP OD2 9.692 H A 0029 LYS NZ
H A 0054 ASP OD1 8.993 H A 0055 LYS NZ
H A 0054 ASP OD2 10.23 H A 0055 LYS NZ
H A 0058 GLU OE1 6.807 H A 0055 LYS NZ
H A 0058 GLU OE2 7.924 H A 0055 LYS NZ
C A 0061 ASP OD1 9.965 H A 0029 LYS NZ
C A 0061 ASP OD2 9.504 H A 0029 LYS NZ
C A 0061 ASP OD2 11.49 H A 0055 LYS NZ
C A 0065 ASP OD2 11.27 C A 0025 HIS ND1
C A 0065 ASP OD2 10.95 C A 0025 HIS NE2
C A 0065 ASP OD1 10.87 C A 0026 LYS NZ
C A 0065 ASP OD2 9.485 C A 0026 LYS NZ
C A 0065 ASP OD1 10.51 C A 0028 LYS NZ
C A 0065 ASP OD2 9.612 C A 0028 LYS NZ
C A 0065 ASP OD1 9.062 H A 0029 LYS NZ
C A 0065 ASP OD2 9.797 H A 0029 LYS NZ
C A 0067 GLU OE1 9.469 C A 0025 HIS ND1
C A 0067 GLU OE1 9.409 C A 0025 HIS NE2
C A 0067 GLU OE2 9.394 C A 0025 HIS ND1
C A 0067 GLU OE2 8.908 C A 0025 HIS NE2
C A 0067 GLU OE1 4.581 C A 0026 LYS NZ
C A 0067 GLU OE2 5.863 C A 0026 LYS NZ
C A 0067 GLU OE1 4.875 C A 0028 LYS NZ
C A 0067 GLU OE2 6.932 C A 0028 LYS NZ
C A 0067 GLU OE1 7.834 H A 0029 LYS NZ
C A 0067 GLU OE2 9.345 H A 0029 LYS NZ
C A 0069 ASP OD1 6.659 C A 0025 HIS ND1
C A 0069 ASP OD1 6.832 C A 0025 HIS NE2
C A 0069 ASP OD2 7.317 C A 0025 HIS ND1
C A 0069 ASP OD2 6.914 C A 0025 HIS NE2
C A 0069 ASP OD1 7.256 C A 0026 LYS NZ
C A 0069 ASP OD2 8.492 C A 0026 LYS NZ
C A 0069 ASP OD1 7.510 C A 0028 LYS NZ
C A 0069 ASP OD2 9.293 C A 0028 LYS NZ
C A 0069 ASP OD1 11.21 H A 0029 LYS NZ
H A 0072 GLU OE1 11.83 C A 0028 LYS NZ
H A 0072 GLU OE2 11.98 C A 0028 LYS NZ
H A 0072 GLU OE1 11.12 H A 0029 LYS NZ
H A 0072 GLU OE2 11.65 H A 0029 LYS NZ
C A 0086 GLU OE1 9.777 C A 0085 HIS ND1
C A 0086 GLU OE1 9.849 C A 0085 HIS NE2
C A 0086 GLU OE2 9.828 C A 0085 HIS ND1
C A 0086 GLU OE2 9.937 C A 0085 HIS NE2
C A 0089 GLU OE2 11.10 C A 0085 HIS ND1
C A 0089 GLU OE2 11.57 C A 0085 HIS NE2
C A 0089 GLU OE1 7.582 C A 0090 HIS ND1
C A 0089 GLU OE1 8.982 C A 0090 HIS NE2
C A 0089 GLU OE2 8.510 C A 0090 HIS ND1
C A 0089 GLU OE2 9.580 C A 0090 HIS NE2
C A 0091 GLU OE1 6.130 C A 0090 HIS ND1
C A 0091 GLU OE1 5.211 C A 0090 HIS NE2
C A 0091 GLU OE2 5.166 C A 0090 HIS ND1
C A 0091 GLU OE2 3.641 C A 0090 HIS NE2
CHARGE_REPU 2.00 12.00 190
H A 0002 GLU OE1 9.505 H A 0004 GLU OE1
H A 0002 GLU OE1 9.716 H A 0004 GLU OE2
H A 0002 GLU OE2 10.25 H A 0004 GLU OE1
H A 0002 GLU OE2 10.86 H A 0004 GLU OE2
H A 0015 HIS ND1 9.447 C A 0024 LYS NZ
H A 0015 HIS NE2 9.112 C A 0024 LYS NZ
H A 0015 HIS ND1 9.930 C A 0025 HIS ND1
H A 0015 HIS ND1 11.96 C A 0025 HIS NE2
H A 0015 HIS NE2 9.225 C A 0025 HIS ND1
H A 0015 HIS NE2 11.05 C A 0025 HIS NE2
H A 0020 ARG NH2 11.85 C A 0028 LYS NZ
H A 0020 ARG NH1 10.04 H A 0033 LYS NZ
H A 0020 ARG NH2 9.540 H A 0033 LYS NZ
C A 0021 GLU OE1 7.715 C A 0023 ASP OD1
C A 0021 GLU OE1 6.636 C A 0023 ASP OD2
C A 0021 GLU OE2 7.847 C A 0023 ASP OD1
C A 0021 GLU OE2 6.268 C A 0023 ASP OD2
C A 0021 GLU OE1 3.905 H A 0031 GLU OE1
C A 0021 GLU OE1 2.734 H A 0031 GLU OE2
C A 0021 GLU OE2 3.194 H A 0031 GLU OE1
C A 0021 GLU OE2 2.622 H A 0031 GLU OE2
C A 0021 GLU OE1 6.380 H A 0034 GLU OE1
C A 0021 GLU OE1 7.733 H A 0034 GLU OE2
C A 0021 GLU OE2 5.079 H A 0034 GLU OE1
C A 0021 GLU OE2 6.261 H A 0034 GLU OE2
C A 0023 ASP OD1 8.200 H A 0031 GLU OE1
C A 0023 ASP OD1 9.203 H A 0031 GLU OE2
C A 0023 ASP OD2 6.889 H A 0031 GLU OE1
C A 0023 ASP OD2 7.942 H A 0031 GLU OE2
C A 0023 ASP OD2 10.92 H A 0034 GLU OE1
C A 0023 ASP OD2 11.41 H A 0034 GLU OE2
C A 0023 ASP OD1 8.077 C A 0067 GLU OE1
C A 0023 ASP OD1 9.810 C A 0067 GLU OE2
C A 0023 ASP OD2 8.042 C A 0067 GLU OE1
C A 0023 ASP OD2 10.02 C A 0067 GLU OE2
C A 0023 ASP OD1 9.616 C A 0069 ASP OD1
C A 0023 ASP OD1 11.44 C A 0069 ASP OD2
C A 0023 ASP OD2 9.791 C A 0069 ASP OD1
C A 0023 ASP OD2 11.76 C A 0069 ASP OD2
C A 0024 LYS NZ 8.673 C A 0025 HIS ND1
C A 0024 LYS NZ 9.753 C A 0025 HIS NE2
C A 0024 LYS NZ 9.731 C A 0026 LYS NZ
C A 0024 LYS NZ 10.45 C A 0028 LYS NZ
C A 0025 HIS ND1 8.976 C A 0026 LYS NZ
C A 0025 HIS NE2 8.981 C A 0026 LYS NZ
C A 0025 HIS ND1 10.17 C A 0028 LYS NZ
C A 0025 HIS NE2 10.83 C A 0028 LYS NZ
C A 0026 LYS NZ 3.551 C A 0028 LYS NZ
C A 0026 LYS NZ 9.850 H A 0029 LYS NZ
C A 0028 LYS NZ 7.651 H A 0029 LYS NZ
H A 0031 GLU OE1 6.674 H A 0034 GLU OE1
H A 0031 GLU OE1 8.272 H A 0034 GLU OE2
H A 0031 GLU OE2 5.511 H A 0034 GLU OE1
H A 0031 GLU OE2 7.325 H A 0034 GLU OE2
H A 0031 GLU OE1 10.40 C A 0067 GLU OE1
H A 0031 GLU OE1 9.754 C A 0069 ASP OD1
H A 0031 GLU OE1 11.85 C A 0069 ASP OD2
H A 0031 GLU OE2 11.74 C A 0069 ASP OD1
H A 0031 GLU OE1 11.97 H A 0072 GLU OE1
H A 0039 GLU OE1 11.44 C A 0045 GLU OE2
H A 0039 GLU OE2 11.16 C A 0045 GLU OE1
H A 0039 GLU OE2 10.37 C A 0045 GLU OE2
H A 0042 HIS ND1 10.67 C A 0085 HIS ND1
H A 0042 HIS NE2 10.54 C A 0085 HIS ND1
C A 0045 GLU OE1 7.043 C A 0046 GLU OE1
C A 0045 GLU OE1 9.093 C A 0046 GLU OE2
C A 0045 GLU OE2 7.910 C A 0046 GLU OE1
C A 0045 GLU OE2 9.857 C A 0046 GLU OE2
C A 0046 GLU OE1 10.43 C A 0049 GLU OE2
C A 0046 GLU OE2 11.27 C A 0049 GLU OE1
C A 0046 GLU OE2 9.203 C A 0049 GLU OE2
C A 0046 GLU OE1 11.09 H A 0051 GLU OE1
C A 0046 GLU OE1 9.182 H A 0051 GLU OE2
C A 0046 GLU OE2 9.785 H A 0051 GLU OE1
C A 0046 GLU OE2 8.068 H A 0051 GLU OE2
C A 0049 GLU OE1 7.027 H A 0051 GLU OE1
C A 0049 GLU OE1 6.667 H A 0051 GLU OE2
C A 0049 GLU OE2 6.594 H A 0051 GLU OE1
C A 0049 GLU OE2 5.801 H A 0051 GLU OE2
C A 0049 GLU OE1 11.97 H A 0054 ASP OD2
H A 0051 GLU OE1 7.780 H A 0054 ASP OD1
H A 0051 GLU OE1 7.536 H A 0054 ASP OD2
H A 0051 GLU OE2 8.666 H A 0054 ASP OD1
H A 0051 GLU OE2 8.644 H A 0054 ASP OD2
H A 0051 GLU OE1 9.343 H A 0058 GLU OE1
H A 0051 GLU OE1 11.35 H A 0058 GLU OE2
H A 0051 GLU OE2 10.57 H A 0058 GLU OE1
H A 0054 ASP OD1 5.140 H A 0058 GLU OE1
H A 0054 ASP OD1 7.041 H A 0058 GLU OE2
H A 0054 ASP OD2 6.570 H A 0058 GLU OE1
H A 0054 ASP OD2 8.451 H A 0058 GLU OE2
H A 0054 ASP OD1 8.488 C A 0061 ASP OD1
H A 0054 ASP OD1 6.515 C A 0061 ASP OD2
H A 0054 ASP OD2 10.32 C A 0061 ASP OD1
H A 0054 ASP OD2 8.365 C A 0061 ASP OD2
H A 0054 ASP OD1 11.37 C A 0065 ASP OD1
H A 0054 ASP OD1 11.65 H A 0072 GLU OE1
H A 0058 GLU OE1 8.771 C A 0061 ASP OD1
H A 0058 GLU OE1 6.806 C A 0061 ASP OD2
H A 0058 GLU OE2 8.886 C A 0061 ASP OD1
H A 0058 GLU OE2 7.123 C A 0061 ASP OD2
H A 0058 GLU OE1 11.14 C A 0062 GLU OE2
H A 0058 GLU OE2 11.30 C A 0062 GLU OE1
H A 0058 GLU OE2 10.19 C A 0062 GLU OE2
H A 0058 GLU OE2 11.20 C A 0063 ASP OD1
H A 0058 GLU OE1 11.77 C A 0065 ASP OD1
H A 0058 GLU OE2 11.47 C A 0065 ASP OD1
H A 0058 GLU OE1 11.92 H A 0072 GLU OE1
H A 0058 GLU OE2 11.81 H A 0072 GLU OE1
C A 0061 ASP OD1 8.968 C A 0062 GLU OE1
C A 0061 ASP OD1 7.566 C A 0062 GLU OE2
C A 0061 ASP OD2 9.894 C A 0062 GLU OE1
C A 0061 ASP OD2 8.427 C A 0062 GLU OE2
C A 0061 ASP OD1 5.624 C A 0063 ASP OD1
C A 0061 ASP OD1 7.509 C A 0063 ASP OD2
C A 0061 ASP OD2 6.809 C A 0063 ASP OD1
C A 0061 ASP OD2 8.763 C A 0063 ASP OD2
C A 0061 ASP OD1 4.685 C A 0065 ASP OD1
C A 0061 ASP OD1 6.368 C A 0065 ASP OD2
C A 0061 ASP OD2 5.708 C A 0065 ASP OD1
C A 0061 ASP OD2 7.700 C A 0065 ASP OD2
C A 0061 ASP OD1 9.767 C A 0067 GLU OE1
C A 0061 ASP OD1 9.678 C A 0067 GLU OE2
C A 0061 ASP OD2 10.80 C A 0067 GLU OE1
C A 0061 ASP OD2 10.82 C A 0067 GLU OE2
C A 0061 ASP OD1 9.363 C A 0069 ASP OD1
C A 0061 ASP OD1 9.461 C A 0069 ASP OD2
C A 0061 ASP OD2 11.09 C A 0069 ASP OD1
C A 0061 ASP OD2 11.22 C A 0069 ASP OD2
C A 0061 ASP OD1 3.263 H A 0072 GLU OE1
C A 0061 ASP OD1 4.562 H A 0072 GLU OE2
C A 0061 ASP OD2 5.390 H A 0072 GLU OE1
C A 0061 ASP OD2 6.430 H A 0072 GLU OE2
C A 0062 GLU OE1 7.705 C A 0063 ASP OD1
C A 0062 GLU OE1 9.024 C A 0063 ASP OD2
C A 0062 GLU OE2 7.721 C A 0063 ASP OD1
C A 0062 GLU OE2 9.380 C A 0063 ASP OD2
C A 0062 GLU OE1 10.56 C A 0065 ASP OD1
C A 0062 GLU OE1 11.37 C A 0065 ASP OD2
C A 0062 GLU OE2 10.03 C A 0065 ASP OD1
C A 0062 GLU OE2 11.07 C A 0065 ASP OD2
C A 0062 GLU OE1 8.603 H A 0072 GLU OE1
C A 0062 GLU OE1 8.337 H A 0072 GLU OE2
C A 0062 GLU OE2 7.606 H A 0072 GLU OE1
C A 0062 GLU OE2 7.860 H A 0072 GLU OE2
C A 0063 ASP OD1 3.465 C A 0065 ASP OD1
C A 0063 ASP OD1 4.096 C A 0065 ASP OD2
C A 0063 ASP OD2 4.227 C A 0065 ASP OD1
C A 0063 ASP OD2 3.801 C A 0065 ASP OD2
C A 0063 ASP OD1 9.117 C A 0067 GLU OE1
C A 0063 ASP OD1 7.804 C A 0067 GLU OE2
C A 0063 ASP OD2 8.559 C A 0067 GLU OE1
C A 0063 ASP OD2 6.865 C A 0067 GLU OE2
C A 0063 ASP OD1 8.221 C A 0069 ASP OD1
C A 0063 ASP OD1 7.040 C A 0069 ASP OD2
C A 0063 ASP OD2 7.540 C A 0069 ASP OD1
C A 0063 ASP OD2 5.954 C A 0069 ASP OD2
C A 0063 ASP OD1 4.685 H A 0072 GLU OE1
C A 0063 ASP OD1 2.922 H A 0072 GLU OE2
C A 0063 ASP OD2 6.007 H A 0072 GLU OE1
C A 0063 ASP OD2 3.893 H A 0072 GLU OE2
C A 0065 ASP OD1 6.304 C A 0067 GLU OE1
C A 0065 ASP OD1 5.562 C A 0067 GLU OE2
C A 0065 ASP OD2 5.038 C A 0067 GLU OE1
C A 0065 ASP OD2 3.865 C A 0067 GLU OE2
C A 0065 ASP OD1 6.634 C A 0069 ASP OD1
C A 0065 ASP OD1 6.248 C A 0069 ASP OD2
C A 0065 ASP OD2 4.823 C A 0069 ASP OD1
C A 0065 ASP OD2 4.197 C A 0069 ASP OD2
C A 0065 ASP OD1 4.225 H A 0072 GLU OE1
C A 0065 ASP OD1 3.296 H A 0072 GLU OE2
C A 0065 ASP OD2 4.816 H A 0072 GLU OE1
C A 0065 ASP OD2 3.438 H A 0072 GLU OE2
C A 0067 GLU OE1 4.367 C A 0069 ASP OD1
C A 0067 GLU OE1 5.378 C A 0069 ASP OD2
C A 0067 GLU OE2 4.067 C A 0069 ASP OD1
C A 0067 GLU OE2 4.145 C A 0069 ASP OD2
C A 0067 GLU OE1 8.493 H A 0072 GLU OE1
C A 0067 GLU OE1 7.962 H A 0072 GLU OE2
C A 0067 GLU OE2 8.126 H A 0072 GLU OE1
C A 0067 GLU OE2 7.075 H A 0072 GLU OE2
C A 0069 ASP OD1 6.814 H A 0072 GLU OE1
C A 0069 ASP OD1 6.247 H A 0072 GLU OE2
C A 0069 ASP OD2 6.753 H A 0072 GLU OE1
C A 0069 ASP OD2 5.563 H A 0072 GLU OE2
C A 0086 GLU OE1 8.605 C A 0089 GLU OE1
C A 0086 GLU OE1 7.904 C A 0089 GLU OE2
C A 0086 GLU OE2 10.57 C A 0089 GLU OE1
C A 0086 GLU OE2 9.885 C A 0089 GLU OE2
C A 0089 GLU OE1 11.94 C A 0091 GLU OE2
HB_MM 2.00 3.20 149
C A 0001 SER N 2.194 C A 0000 MET O
H A 0002 GLU N 2.200 C A 0001 SER O
H A 0003 LEU N 2.195 H A 0002 GLU O
H A 0004 GLU N 3.112 C A 0001 SER O
H A 0004 GLU N 2.187 H A 0003 LEU O
H A 0005 LYS N 3.043 H A 0002 GLU O
H A 0005 LYS N 2.196 H A 0004 GLU O
H A 0006 ALA N 2.983 H A 0002 GLU O
H A 0006 ALA N 3.142 H A 0003 LEU O
H A 0006 ALA N 2.199 H A 0005 LYS O
H A 0007 MET N 2.727 H A 0003 LEU O
H A 0007 MET N 2.196 H A 0006 ALA O
H A 0008 VAL N 2.199 H A 0007 MET O
H A 0009 ALA N 2.908 H A 0005 LYS O
H A 0009 ALA N 3.184 H A 0006 ALA O
H A 0009 ALA N 2.201 H A 0008 VAL O
H A 0010 LEU N 2.766 H A 0006 ALA O
H A 0010 LEU N 2.193 H A 0009 ALA O
H A 0011 ILE N 2.197 H A 0010 LEU O
H A 0012 ASP N 2.673 H A 0008 VAL O
H A 0012 ASP N 2.198 H A 0011 ILE O
H A 0013 VAL N 2.901 H A 0009 ALA O
H A 0013 VAL N 2.195 H A 0012 ASP O
H A 0014 PHE N 2.192 H A 0013 VAL O
H A 0015 HIS N 3.163 H A 0011 ILE O
H A 0015 HIS N 2.192 H A 0014 PHE O
H A 0016 GLN N 3.107 H A 0012 ASP O
H A 0016 GLN N 2.196 H A 0015 HIS O
H A 0017 TYR N 2.659 H A 0013 VAL O
H A 0017 TYR N 2.195 H A 0016 GLN O
H A 0018 SER N 2.873 H A 0014 PHE O
H A 0018 SER N 2.195 H A 0017 TYR O
H A 0019 GLY N 3.019 H A 0015 HIS O
H A 0019 GLY N 2.195 H A 0018 SER O
H A 0020 ARG N 3.184 H A 0018 SER O
H A 0020 ARG N 2.192 H A 0019 GLY O
C A 0021 GLU N 2.201 H A 0020 ARG O
C A 0022 GLY N 2.199 C A 0021 GLU O
C A 0023 ASP N 2.735 C A 0021 GLU O
C A 0023 ASP N 2.198 C A 0022 GLY O
C A 0024 LYS N 2.202 C A 0023 ASP O
C A 0025 HIS N 2.200 C A 0024 LYS O
C A 0026 LYS N 2.192 C A 0025 HIS O
C A 0027 LEU N 2.209 C A 0026 LYS O
C A 0027 LEU N 3.181 C A 0068 CYS O
C A 0028 LYS N 2.202 C A 0027 LEU O
H A 0029 LYS N 2.205 C A 0028 LYS O
H A 0030 SER N 2.198 H A 0029 LYS O
H A 0031 GLU N 2.191 H A 0030 SER O
H A 0032 LEU N 2.196 H A 0031 GLU O
H A 0033 LYS N 3.191 H A 0030 SER O
H A 0033 LYS N 2.194 H A 0032 LEU O
H A 0034 GLU N 3.113 H A 0031 GLU O
H A 0034 GLU N 2.196 H A 0033 LYS O
H A 0035 LEU N 3.027 H A 0031 GLU O
H A 0035 LEU N 3.145 H A 0032 LEU O
H A 0035 LEU N 2.193 H A 0034 GLU O
H A 0036 ILE N 2.195 H A 0035 LEU O
H A 0037 ASN N 2.936 H A 0033 LYS O
H A 0037 ASN N 3.193 H A 0034 GLU O
H A 0037 ASN N 2.197 H A 0036 ILE O
H A 0038 ASN N 2.769 H A 0034 GLU O
H A 0038 ASN N 3.193 H A 0035 LEU O
H A 0038 ASN N 2.191 H A 0037 ASN O
H A 0039 GLU N 2.195 H A 0038 ASN O
H A 0040 LEU N 2.193 H A 0039 GLU O
H A 0041 SER N 2.200 H A 0040 LEU O
H A 0042 HIS N 2.838 H A 0040 LEU O
H A 0042 HIS N 2.193 H A 0041 SER O
C A 0043 PHE N 2.195 H A 0042 HIS O
C A 0044 LEU N 2.207 C A 0043 PHE O
C A 0045 GLU N 2.203 C A 0044 LEU O
C A 0046 GLU N 2.202 C A 0045 GLU O
C A 0047 ILE N 2.189 C A 0046 GLU O
C A 0048 LYS N 2.201 C A 0047 ILE O
C A 0049 GLU N 2.201 C A 0048 LYS O
H A 0050 GLN N 2.194 C A 0049 GLU O
H A 0051 GLU N 3.075 C A 0049 GLU O
H A 0051 GLU N 2.192 H A 0050 GLN O
H A 0052 VAL N 3.062 C A 0049 GLU O
H A 0052 VAL N 3.139 H A 0050 GLN O
H A 0052 VAL N 2.194 H A 0051 GLU O
H A 0053 VAL N 3.135 H A 0050 GLN O
H A 0053 VAL N 2.195 H A 0052 VAL O
H A 0054 ASP N 3.178 H A 0051 GLU O
H A 0054 ASP N 2.199 H A 0053 VAL O
H A 0055 LYS N 2.812 H A 0051 GLU O
H A 0055 LYS N 2.198 H A 0054 ASP O
H A 0056 VAL N 2.876 H A 0052 VAL O
H A 0056 VAL N 2.200 H A 0055 LYS O
H A 0057 MET N 2.615 H A 0053 VAL O
H A 0057 MET N 3.190 H A 0054 ASP O
H A 0057 MET N 2.195 H A 0056 VAL O
H A 0058 GLU N 3.074 H A 0054 ASP O
H A 0058 GLU N 2.187 H A 0057 MET O
H A 0059 THR N 3.030 H A 0056 VAL O
H A 0059 THR N 2.196 H A 0058 GLU O
H A 0060 LEU N 2.194 H A 0059 THR O
C A 0061 ASP N 3.114 H A 0058 GLU O
C A 0061 ASP N 2.193 H A 0060 LEU O
C A 0062 GLU N 2.201 C A 0061 ASP O
C A 0063 ASP N 2.202 C A 0062 GLU O
C A 0064 GLY N 2.194 C A 0063 ASP O
C A 0065 ASP N 3.129 C A 0063 ASP O
C A 0065 ASP N 2.197 C A 0064 GLY O
C A 0066 GLY N 2.196 C A 0065 ASP O
C A 0067 GLU N 2.196 C A 0066 GLY O
C A 0068 CYS N 2.205 C A 0067 GLU O
C A 0069 ASP N 2.202 C A 0068 CYS O
H A 0070 PHE N 2.198 C A 0069 ASP O
H A 0071 GLN N 2.193 H A 0070 PHE O
H A 0072 GLU N 3.189 C A 0069 ASP O
H A 0072 GLU N 2.197 H A 0071 GLN O
H A 0073 PHE N 3.122 C A 0069 ASP O
H A 0073 PHE N 3.113 H A 0070 PHE O
H A 0073 PHE N 2.195 H A 0072 GLU O
H A 0074 MET N 3.195 H A 0072 GLU O
H A 0074 MET N 2.192 H A 0073 PHE O
H A 0075 ALA N 2.938 H A 0072 GLU O
H A 0075 ALA N 3.200 H A 0073 PHE O
H A 0075 ALA N 2.197 H A 0074 MET O
H A 0076 PHE N 3.060 H A 0073 PHE O
H A 0076 PHE N 2.194 H A 0075 ALA O
H A 0077 VAL N 3.016 H A 0074 MET O
H A 0077 VAL N 2.195 H A 0076 PHE O
H A 0078 SER N 3.082 H A 0075 ALA O
H A 0078 SER N 2.196 H A 0077 VAL O
H A 0079 MET N 3.066 H A 0075 ALA O
H A 0079 MET N 2.992 H A 0076 PHE O
H A 0079 MET N 2.201 H A 0078 SER O
H A 0080 VAL N 3.126 H A 0076 PHE O
H A 0080 VAL N 3.153 H A 0077 VAL O
H A 0080 VAL N 2.194 H A 0079 MET O
H A 0081 THR N 2.193 H A 0080 VAL O
H A 0082 THR N 2.976 H A 0078 SER O
H A 0082 THR N 2.192 H A 0081 THR O
H A 0083 ALA N 2.896 H A 0079 MET O
H A 0083 ALA N 2.198 H A 0082 THR O
C A 0084 CYS N 2.872 H A 0080 VAL O
C A 0084 CYS N 2.195 H A 0083 ALA O
C A 0085 HIS N 2.201 C A 0084 CYS O
C A 0086 GLU N 2.199 C A 0085 HIS O
C A 0087 PHE N 2.197 C A 0086 GLU O
C A 0088 PHE N 2.613 C A 0086 GLU O
C A 0088 PHE N 2.197 C A 0087 PHE O
C A 0089 GLU N 3.056 C A 0087 PHE O
C A 0089 GLU N 2.200 C A 0088 PHE O
C A 0090 HIS N 2.191 C A 0089 GLU O
C A 0091 GLU N 2.194 C A 0090 HIS O
HB_MS 2.00 3.20 16
H A 0003 LEU N 2.997 H A 0002 GLU OE1
H A 0014 PHE O 2.626 H A 0018 SER OG
H A 0019 GLY N 3.089 H A 0018 SER OG
H A 0031 GLU N 2.785 H A 0030 SER OG
H A 0052 VAL N 2.719 H A 0051 GLU OE2
H A 0055 LYS O 3.190 H A 0059 THR OG1
C A 0064 GLY N 2.923 C A 0063 ASP OD1
C A 0066 GLY N 2.826 C A 0065 ASP OD1
C A 0067 GLU N 2.936 C A 0065 ASP OD1
H A 0075 ALA O 2.378 H A 0078 SER OG
H A 0078 SER O 2.711 H A 0081 THR OG1
H A 0078 SER O 3.081 H A 0082 THR OG1
H A 0079 MET N 2.804 H A 0078 SER OG
H A 0079 MET O 3.066 H A 0082 THR OG1
H A 0082 THR N 2.872 H A 0081 THR OG1
H A 0083 ALA N 2.899 H A 0082 THR OG1
AROMATIC 0.00 8.00 3
H A 0014 PHE 4.817 H A 0070 PHE
H A 0042 HIS 5.523 C A 0043 PHE
H A 0020 ARG 6.894 H A 0017 TYR
COMMENT BEGIN
#########################################################################
COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "B"
HYDROPHOBIC 2.00 3.80 7
H A 0002 GLU CD 3.398 H B 0009 ALA CB
H A 0003 LEU CD1 3.785 H B 0010 LEU CD1
H A 0004 GLU CD 3.570 C B 0043 PHE CE2
H A 0009 ALA CB 3.378 H B 0002 GLU CD
C A 0043 PHE CE2 3.659 H B 0004 GLU CD
H A 0074 MET CE 3.650 H B 0081 THR CG2
H A 0081 THR CG2 3.623 H B 0074 MET CE
CHARGE_ATTR 2.00 12.00 50
H A 0002 GLU OE1 9.319 H B 0005 LYS NZ
H A 0002 GLU OE2 7.178 H B 0005 LYS NZ
H A 0004 GLU OE1 4.457 H B 0042 HIS ND1
H A 0004 GLU OE1 6.247 H B 0042 HIS NE2
H A 0004 GLU OE2 4.700 H B 0042 HIS ND1
H A 0004 GLU OE2 6.693 H B 0042 HIS NE2
H A 0005 LYS NZ 9.267 H B 0002 GLU OE1
H A 0005 LYS NZ 7.124 H B 0002 GLU OE2
H A 0005 LYS NZ 11.06 H B 0012 ASP OD2
H A 0012 ASP OD2 11.07 H B 0005 LYS NZ
H A 0012 ASP OD2 11.92 C B 0090 HIS ND1
H A 0015 HIS ND1 8.138 C B 0086 GLU OE1
H A 0015 HIS ND1 9.241 C B 0086 GLU OE2
H A 0015 HIS NE2 6.763 C B 0086 GLU OE1
H A 0015 HIS NE2 8.232 C B 0086 GLU OE2
H A 0015 HIS ND1 6.825 C B 0089 GLU OE1
H A 0015 HIS ND1 8.246 C B 0089 GLU OE2
H A 0015 HIS NE2 4.894 C B 0089 GLU OE1
H A 0015 HIS NE2 6.106 C B 0089 GLU OE2
C A 0024 LYS NZ 10.79 C B 0086 GLU OE1
C A 0024 LYS NZ 10.60 C B 0089 GLU OE1
C A 0024 LYS NZ 11.42 C B 0089 GLU OE2
C A 0025 HIS ND1 5.047 C B 0086 GLU OE1
C A 0025 HIS ND1 5.175 C B 0086 GLU OE2
C A 0025 HIS NE2 6.061 C B 0086 GLU OE1
C A 0025 HIS NE2 6.080 C B 0086 GLU OE2
C A 0025 HIS ND1 11.82 C B 0089 GLU OE1
C A 0025 HIS ND1 11.52 C B 0089 GLU OE2
H A 0042 HIS ND1 4.494 H B 0004 GLU OE1
H A 0042 HIS ND1 4.739 H B 0004 GLU OE2
H A 0042 HIS NE2 6.263 H B 0004 GLU OE1
H A 0042 HIS NE2 6.716 H B 0004 GLU OE2
C A 0086 GLU OE1 8.156 H B 0015 HIS ND1
C A 0086 GLU OE1 6.802 H B 0015 HIS NE2
C A 0086 GLU OE2 9.271 H B 0015 HIS ND1
C A 0086 GLU OE2 8.276 H B 0015 HIS NE2
C A 0086 GLU OE1 10.72 C B 0024 LYS NZ
C A 0086 GLU OE1 4.930 C B 0025 HIS ND1
C A 0086 GLU OE1 5.958 C B 0025 HIS NE2
C A 0086 GLU OE2 5.089 C B 0025 HIS ND1
C A 0086 GLU OE2 5.994 C B 0025 HIS NE2
C A 0089 GLU OE1 6.747 H B 0015 HIS ND1
C A 0089 GLU OE1 4.806 H B 0015 HIS NE2
C A 0089 GLU OE2 8.185 H B 0015 HIS ND1
C A 0089 GLU OE2 6.037 H B 0015 HIS NE2
C A 0089 GLU OE1 10.47 C B 0024 LYS NZ
C A 0089 GLU OE2 11.30 C B 0024 LYS NZ
C A 0089 GLU OE1 11.68 C B 0025 HIS ND1
C A 0089 GLU OE2 11.39 C B 0025 HIS ND1
C A 0090 HIS ND1 11.89 H B 0012 ASP OD2
CHARGE_REPU 2.00 12.00 38
H A 0002 GLU OE1 9.803 H B 0002 GLU OE1
H A 0002 GLU OE1 8.260 H B 0002 GLU OE2
H A 0002 GLU OE2 8.246 H B 0002 GLU OE1
H A 0002 GLU OE2 6.503 H B 0002 GLU OE2
H A 0002 GLU OE1 9.012 H B 0012 ASP OD1
H A 0002 GLU OE1 8.710 H B 0012 ASP OD2
H A 0002 GLU OE2 9.489 H B 0012 ASP OD1
H A 0002 GLU OE2 8.694 H B 0012 ASP OD2
H A 0004 GLU OE1 9.770 H B 0039 GLU OE1
H A 0004 GLU OE1 9.111 H B 0039 GLU OE2
H A 0004 GLU OE2 8.435 H B 0039 GLU OE1
H A 0004 GLU OE2 8.076 H B 0039 GLU OE2
H A 0004 GLU OE2 11.61 C B 0045 GLU OE1
H A 0005 LYS NZ 4.028 H B 0005 LYS NZ
H A 0012 ASP OD1 8.989 H B 0002 GLU OE1
H A 0012 ASP OD1 9.480 H B 0002 GLU OE2
H A 0012 ASP OD2 8.678 H B 0002 GLU OE1
H A 0012 ASP OD2 8.677 H B 0002 GLU OE2
H A 0012 ASP OD1 11.17 C B 0089 GLU OE1
H A 0015 HIS ND1 11.55 C B 0090 HIS ND1
H A 0015 HIS NE2 10.62 C B 0090 HIS ND1
H A 0039 GLU OE1 9.705 H B 0004 GLU OE1
H A 0039 GLU OE1 8.362 H B 0004 GLU OE2
H A 0039 GLU OE2 9.042 H B 0004 GLU OE1
H A 0039 GLU OE2 8.003 H B 0004 GLU OE2
C A 0045 GLU OE1 11.63 H B 0004 GLU OE2
C A 0062 GLU OE1 11.15 C B 0062 GLU OE1
C A 0069 ASP OD1 10.86 C B 0086 GLU OE1
C A 0069 ASP OD1 9.852 C B 0086 GLU OE2
C A 0069 ASP OD2 11.23 C B 0086 GLU OE1
C A 0069 ASP OD2 10.03 C B 0086 GLU OE2
C A 0086 GLU OE1 10.78 C B 0069 ASP OD1
C A 0086 GLU OE1 11.15 C B 0069 ASP OD2
C A 0086 GLU OE2 9.765 C B 0069 ASP OD1
C A 0086 GLU OE2 9.942 C B 0069 ASP OD2
C A 0089 GLU OE1 11.16 H B 0012 ASP OD1
C A 0090 HIS ND1 11.45 H B 0015 HIS ND1
C A 0090 HIS ND1 10.50 H B 0015 HIS NE2
COMMENT BEGIN
#########################################################################
COMMENT END
CONTACTS BETWEEN
CHAIN(S) "B"
AND
CHAIN(S) "B"
HYDROPHOBIC 2.00 3.80 294
C B 0000 MET C 2.419 C B 0001 SER CA
C B 0000 MET C 3.047 C B 0001 SER C
C B 0000 MET C 3.687 C B 0001 SER CB
C B 0001 SER C 2.435 H B 0002 GLU CA
C B 0001 SER C 2.984 H B 0002 GLU C
C B 0001 SER C 3.702 H B 0002 GLU CB
H B 0002 GLU C 2.424 H B 0003 LEU CA
H B 0002 GLU C 2.964 H B 0003 LEU C
H B 0002 GLU C 3.691 H B 0003 LEU CB
H B 0002 GLU C 3.755 H B 0003 LEU CD2
H B 0003 LEU C 2.404 H B 0004 GLU CA
H B 0003 LEU C 2.939 H B 0004 GLU C
H B 0003 LEU C 3.678 H B 0004 GLU CB
H B 0004 GLU C 2.420 H B 0005 LYS CA
H B 0004 GLU C 3.053 H B 0005 LYS C
H B 0004 GLU C 3.695 H B 0005 LYS CB
H B 0005 LYS C 2.426 H B 0006 ALA CA
H B 0005 LYS C 3.056 H B 0006 ALA C
H B 0005 LYS C 3.692 H B 0006 ALA CB
H B 0006 ALA C 2.413 H B 0007 MET CA
H B 0006 ALA C 2.950 H B 0007 MET C
H B 0006 ALA C 3.687 H B 0007 MET CB
H B 0007 MET C 2.421 H B 0008 VAL CA
H B 0007 MET C 3.050 H B 0008 VAL C
H B 0007 MET C 3.688 H B 0008 VAL CB
H B 0008 VAL C 2.425 H B 0009 ALA CA
H B 0008 VAL C 3.034 H B 0009 ALA C
H B 0008 VAL C 3.696 H B 0009 ALA CB
H B 0009 ALA C 2.418 H B 0010 LEU CA
H B 0009 ALA C 2.952 H B 0010 LEU C
H B 0009 ALA C 3.695 H B 0010 LEU CB
H B 0010 LEU C 2.428 H B 0011 ILE CA
H B 0010 LEU C 3.075 H B 0011 ILE C
H B 0010 LEU C 3.685 H B 0011 ILE CB
H B 0011 ILE C 2.431 H B 0012 ASP CA
H B 0011 ILE C 2.998 H B 0012 ASP C
H B 0011 ILE C 3.694 H B 0012 ASP CB
H B 0012 ASP C 2.419 H B 0013 VAL CA
H B 0012 ASP C 2.973 H B 0013 VAL C
H B 0012 ASP C 3.694 H B 0013 VAL CB
H B 0013 VAL C 2.420 H B 0014 PHE CA
H B 0013 VAL C 2.983 H B 0014 PHE C
H B 0013 VAL C 3.688 H B 0014 PHE CB
H B 0014 PHE C 2.418 H B 0015 HIS CA
H B 0014 PHE C 3.012 H B 0015 HIS C
H B 0014 PHE C 3.688 H B 0015 HIS CB
H B 0014 PHE CG 3.673 H B 0070 PHE CD1
H B 0014 PHE CD1 3.671 H B 0070 PHE CD1
H B 0014 PHE CD2 3.699 H B 0070 PHE CD1
H B 0014 PHE CE1 3.696 H B 0070 PHE CD1
H B 0014 PHE CE2 3.722 H B 0070 PHE CD1
H B 0014 PHE CZ 3.721 H B 0070 PHE CD1
H B 0015 HIS C 2.423 H B 0016 GLN CA
H B 0015 HIS C 3.084 H B 0016 GLN C
H B 0015 HIS C 3.677 H B 0016 GLN CB
H B 0016 GLN C 2.427 H B 0017 TYR CA
H B 0016 GLN C 3.069 H B 0017 TYR C
H B 0016 GLN C 3.690 H B 0017 TYR CB
H B 0017 TYR C 2.424 H B 0018 SER CA
H B 0017 TYR C 3.108 H B 0018 SER C
H B 0017 TYR C 3.675 H B 0018 SER CB
H B 0018 SER C 2.421 H B 0019 GLY CA
H B 0018 SER C 3.139 H B 0019 GLY C
H B 0019 GLY C 2.414 H B 0020 ARG CA
H B 0019 GLY C 2.953 H B 0020 ARG C
H B 0019 GLY C 3.697 H B 0020 ARG CB
H B 0020 ARG C 2.440 C B 0021 GLU CA
H B 0020 ARG C 3.330 C B 0021 GLU C
H B 0020 ARG C 3.613 C B 0021 GLU CB
H B 0020 ARG C 3.695 C B 0021 GLU CG
H B 0020 ARG CZ 3.699 H B 0034 GLU CD
C B 0021 GLU C 2.423 C B 0022 GLY CA
C B 0021 GLU C 2.934 C B 0022 GLY C
C B 0021 GLU CD 3.465 H B 0031 GLU CD
C B 0022 GLY C 2.427 C B 0023 ASP CA
C B 0022 GLY C 3.172 C B 0023 ASP C
C B 0022 GLY C 3.663 C B 0023 ASP CB
C B 0023 ASP C 2.441 C B 0024 LYS CA
C B 0023 ASP C 3.408 C B 0024 LYS C
C B 0023 ASP C 3.553 C B 0024 LYS CB
C B 0024 LYS C 2.441 C B 0025 HIS CA
C B 0024 LYS C 3.361 C B 0025 HIS C
C B 0024 LYS C 3.598 C B 0025 HIS CB
C B 0025 HIS C 2.430 C B 0026 LYS CA
C B 0025 HIS C 3.655 C B 0026 LYS C
C B 0025 HIS C 3.236 C B 0026 LYS CB
C B 0025 HIS C 3.686 C B 0026 LYS CG
C B 0026 LYS C 2.450 C B 0027 LEU CA
C B 0026 LYS C 3.384 C B 0027 LEU C
C B 0026 LYS C 3.571 C B 0027 LEU CB
C B 0027 LEU C 2.443 C B 0028 LYS CA
C B 0027 LEU C 3.305 C B 0028 LYS C
C B 0027 LEU C 3.635 C B 0028 LYS CB
C B 0027 LEU CD1 3.655 H B 0031 GLU CD
C B 0028 LYS C 2.437 H B 0029 LYS CA
C B 0028 LYS C 3.022 H B 0029 LYS C
C B 0028 LYS C 3.697 H B 0029 LYS CB
H B 0029 LYS C 2.424 H B 0030 SER CA
H B 0029 LYS C 3.041 H B 0030 SER C
H B 0029 LYS C 3.690 H B 0030 SER CB
H B 0030 SER C 2.416 H B 0031 GLU CA
H B 0030 SER C 2.969 H B 0031 GLU C
H B 0030 SER C 3.698 H B 0031 GLU CB
H B 0031 GLU C 2.423 H B 0032 LEU CA
H B 0031 GLU C 2.971 H B 0032 LEU C
H B 0031 GLU C 3.697 H B 0032 LEU CB
H B 0032 LEU C 2.422 H B 0033 LYS CA
H B 0032 LEU C 2.954 H B 0033 LYS C
H B 0032 LEU C 3.697 H B 0033 LYS CB
H B 0033 LYS C 2.432 H B 0034 GLU CA
H B 0033 LYS C 3.013 H B 0034 GLU C
H B 0033 LYS C 3.697 H B 0034 GLU CB
H B 0034 GLU C 2.418 H B 0035 LEU CA
H B 0034 GLU C 2.951 H B 0035 LEU C
H B 0034 GLU C 3.692 H B 0035 LEU CB
H B 0035 LEU C 2.423 H B 0036 ILE CA
H B 0035 LEU C 3.005 H B 0036 ILE C
H B 0035 LEU C 3.694 H B 0036 ILE CB
H B 0036 ILE C 2.430 H B 0037 ASN CA
H B 0036 ILE C 3.080 H B 0037 ASN C
H B 0036 ILE C 3.690 H B 0037 ASN CB
H B 0037 ASN C 2.419 H B 0038 ASN CA
H B 0037 ASN C 2.878 H B 0038 ASN C
H B 0037 ASN C 3.690 H B 0038 ASN CB
H B 0038 ASN C 2.421 H B 0039 GLU CA
H B 0038 ASN C 3.677 H B 0039 GLU C
H B 0038 ASN C 3.102 H B 0039 GLU CB
H B 0039 GLU C 2.428 H B 0040 LEU CA
H B 0039 GLU C 3.233 H B 0040 LEU C
H B 0039 GLU C 3.628 H B 0040 LEU CB
H B 0040 LEU C 2.427 H B 0041 SER CA
H B 0040 LEU C 2.979 H B 0041 SER C
H B 0040 LEU C 3.693 H B 0041 SER CB
H B 0041 SER C 2.420 H B 0042 HIS CA
H B 0041 SER C 2.960 H B 0042 HIS C
H B 0041 SER C 3.694 H B 0042 HIS CB
H B 0042 HIS C 2.414 C B 0043 PHE CA
H B 0042 HIS C 3.042 C B 0043 PHE C
H B 0042 HIS C 3.683 C B 0043 PHE CB
C B 0043 PHE C 2.452 C B 0044 LEU CA
C B 0043 PHE C 3.523 C B 0044 LEU C
C B 0043 PHE C 3.464 C B 0044 LEU CB
C B 0043 PHE C 3.479 C B 0044 LEU CG
C B 0043 PHE CD1 3.386 H B 0080 VAL CG1
C B 0043 PHE CE1 3.391 H B 0080 VAL CG1
C B 0044 LEU C 2.449 C B 0045 GLU CA
C B 0044 LEU C 3.554 C B 0045 GLU C
C B 0044 LEU C 3.422 C B 0045 GLU CB
C B 0045 GLU C 2.446 C B 0046 GLU CA
C B 0045 GLU C 3.370 C B 0046 GLU C
C B 0045 GLU C 3.599 C B 0046 GLU CB
C B 0046 GLU C 2.418 C B 0047 ILE CA
C B 0046 GLU C 3.080 C B 0047 ILE C
C B 0046 GLU C 3.691 C B 0047 ILE CB
C B 0047 ILE C 2.436 C B 0048 LYS CA
C B 0047 ILE C 3.673 C B 0048 LYS C
C B 0047 ILE C 3.168 C B 0048 LYS CB
C B 0047 ILE C 3.243 C B 0048 LYS CG
C B 0048 LYS C 2.437 C B 0049 GLU CA
C B 0048 LYS C 3.321 C B 0049 GLU C
C B 0048 LYS C 3.602 C B 0049 GLU CB
C B 0049 GLU C 2.426 H B 0050 GLN CA
C B 0049 GLU C 2.989 H B 0050 GLN C
C B 0049 GLU C 3.697 H B 0050 GLN CB
H B 0050 GLN C 2.420 H B 0051 GLU CA
H B 0050 GLN C 2.971 H B 0051 GLU C
H B 0050 GLN C 3.702 H B 0051 GLU CB
H B 0051 GLU C 2.420 H B 0052 VAL CA
H B 0051 GLU C 2.948 H B 0052 VAL C
H B 0051 GLU C 3.697 H B 0052 VAL CB
H B 0051 GLU CD 3.568 H B 0052 VAL CA
H B 0052 VAL C 2.418 H B 0053 VAL CA
H B 0052 VAL C 2.955 H B 0053 VAL C
H B 0052 VAL C 3.695 H B 0053 VAL CB
H B 0053 VAL C 2.424 H B 0054 ASP CA
H B 0053 VAL C 2.987 H B 0054 ASP C
H B 0053 VAL C 3.696 H B 0054 ASP CB
H B 0054 ASP C 2.425 H B 0055 LYS CA
H B 0054 ASP C 2.953 H B 0055 LYS C
H B 0054 ASP C 3.698 H B 0055 LYS CB
H B 0055 LYS C 2.434 H B 0056 VAL CA
H B 0055 LYS C 3.067 H B 0056 VAL C
H B 0055 LYS C 3.695 H B 0056 VAL CB
H B 0056 VAL C 2.418 H B 0057 MET CA
H B 0056 VAL C 2.968 H B 0057 MET C
H B 0056 VAL C 3.688 H B 0057 MET CB
H B 0057 MET C 2.412 H B 0058 GLU CA
H B 0057 MET C 2.987 H B 0058 GLU C
H B 0057 MET C 3.686 H B 0058 GLU CB
H B 0057 MET C 3.678 H B 0060 LEU CD2
H B 0058 GLU C 2.427 H B 0059 THR CA
H B 0058 GLU C 3.005 H B 0059 THR C
H B 0058 GLU C 3.694 H B 0059 THR CB
H B 0059 THR C 2.431 H B 0060 LEU CA
H B 0059 THR C 3.175 H B 0060 LEU C
H B 0059 THR C 3.686 H B 0060 LEU CB
H B 0059 THR CG2 3.490 H B 0079 MET CE
H B 0060 LEU C 2.420 C B 0061 ASP CA
H B 0060 LEU C 3.102 C B 0061 ASP C
H B 0060 LEU C 3.674 C B 0061 ASP CB
C B 0061 ASP C 2.433 C B 0062 GLU CA
C B 0061 ASP C 3.288 C B 0062 GLU C
C B 0061 ASP C 3.621 C B 0062 GLU CB
C B 0062 GLU C 2.442 C B 0063 ASP CA
C B 0062 GLU C 3.360 C B 0063 ASP C
C B 0062 GLU C 3.585 C B 0063 ASP CB
C B 0063 ASP C 2.421 C B 0064 GLY CA
C B 0063 ASP C 2.869 C B 0064 GLY C
C B 0063 ASP CG 3.733 C B 0065 ASP CB
C B 0064 GLY C 2.427 C B 0065 ASP CA
C B 0064 GLY C 3.201 C B 0065 ASP C
C B 0064 GLY C 3.647 C B 0065 ASP CB
C B 0065 ASP C 2.428 C B 0066 GLY CA
C B 0065 ASP C 3.225 C B 0066 GLY C
C B 0065 ASP CG 3.755 C B 0067 GLU C
C B 0065 ASP CG 3.475 C B 0067 GLU CG
C B 0066 GLY C 2.437 C B 0067 GLU CA
C B 0066 GLY C 3.594 C B 0067 GLU C
C B 0066 GLY C 3.319 C B 0067 GLU CB
C B 0067 GLU C 2.445 C B 0068 CYS CA
C B 0067 GLU C 3.444 C B 0068 CYS C
C B 0067 GLU C 3.524 C B 0068 CYS CB
C B 0068 CYS C 2.436 C B 0069 ASP CA
C B 0068 CYS C 3.238 C B 0069 ASP C
C B 0068 CYS C 3.649 C B 0069 ASP CB
C B 0069 ASP C 2.423 H B 0070 PHE CA
C B 0069 ASP C 2.987 H B 0070 PHE C
C B 0069 ASP C 3.690 H B 0070 PHE CB
H B 0070 PHE C 2.419 H B 0071 GLN CA
H B 0070 PHE C 2.965 H B 0071 GLN C
H B 0070 PHE C 3.697 H B 0071 GLN CB
H B 0071 GLN C 2.426 H B 0072 GLU CA
H B 0071 GLN C 3.020 H B 0072 GLU C
H B 0071 GLN C 3.705 H B 0072 GLU CB
H B 0072 GLU C 2.425 H B 0073 PHE CA
H B 0072 GLU C 2.949 H B 0073 PHE C
H B 0072 GLU C 3.696 H B 0073 PHE CB
H B 0073 PHE C 2.418 H B 0074 MET CA
H B 0073 PHE C 2.946 H B 0074 MET C
H B 0073 PHE C 3.697 H B 0074 MET CB
H B 0074 MET C 2.421 H B 0075 ALA CA
H B 0074 MET C 2.953 H B 0075 ALA C
H B 0074 MET C 3.689 H B 0075 ALA CB
H B 0075 ALA C 2.422 H B 0076 PHE CA
H B 0075 ALA C 2.968 H B 0076 PHE C
H B 0075 ALA C 3.701 H B 0076 PHE CB
H B 0076 PHE C 2.415 H B 0077 VAL CA
H B 0076 PHE C 2.942 H B 0077 VAL C
H B 0076 PHE C 3.691 H B 0077 VAL CB
H B 0076 PHE CE2 3.376 H B 0080 VAL CG2
H B 0077 VAL C 2.421 H B 0078 SER CA
H B 0077 VAL C 2.965 H B 0078 SER C
H B 0077 VAL C 3.695 H B 0078 SER CB
H B 0078 SER C 2.433 H B 0079 MET CA
H B 0078 SER C 2.993 H B 0079 MET C
H B 0078 SER C 3.694 H B 0079 MET CB
H B 0079 MET C 2.424 H B 0080 VAL CA
H B 0079 MET C 3.043 H B 0080 VAL C
H B 0079 MET C 3.695 H B 0080 VAL CB
H B 0080 VAL C 2.421 H B 0081 THR CA
H B 0080 VAL C 3.055 H B 0081 THR C
H B 0080 VAL C 3.684 H B 0081 THR CB
H B 0081 THR C 2.415 H B 0082 THR CA
H B 0081 THR C 3.057 H B 0082 THR C
H B 0081 THR C 3.676 H B 0082 THR CB
H B 0082 THR C 2.427 H B 0083 ALA CA
H B 0082 THR C 3.072 H B 0083 ALA C
H B 0082 THR C 3.688 H B 0083 ALA CB
H B 0083 ALA C 2.426 C B 0084 CYS CA
H B 0083 ALA C 3.052 C B 0084 CYS C
H B 0083 ALA C 3.694 C B 0084 CYS CB
C B 0084 CYS C 2.431 C B 0085 HIS CA
C B 0084 CYS C 3.170 C B 0085 HIS C
C B 0084 CYS C 3.667 C B 0085 HIS CB
C B 0085 HIS C 2.434 C B 0086 GLU CA
C B 0085 HIS C 3.224 C B 0086 GLU C
C B 0085 HIS C 3.648 C B 0086 GLU CB
C B 0086 GLU C 2.424 C B 0087 PHE CA
C B 0086 GLU C 3.039 C B 0087 PHE C
C B 0086 GLU C 3.695 C B 0087 PHE CB
C B 0087 PHE C 2.429 C B 0088 PHE CA
C B 0087 PHE C 3.071 C B 0088 PHE C
C B 0087 PHE C 3.702 C B 0088 PHE CB
C B 0087 PHE C 3.728 C B 0089 GLU CG
C B 0088 PHE C 2.431 C B 0089 GLU CA
C B 0088 PHE C 2.879 C B 0089 GLU C
C B 0088 PHE C 3.710 C B 0089 GLU CB
C B 0089 GLU C 2.420 C B 0090 HIS CA
C B 0089 GLU C 3.096 C B 0090 HIS C
C B 0089 GLU C 3.684 C B 0090 HIS CB
C B 0090 HIS C 2.417 C B 0091 GLU CA
C B 0090 HIS C 2.870 C B 0091 GLU C
C B 0090 HIS C 3.688 C B 0091 GLU CB
C B 0090 HIS CD2 3.738 C B 0091 GLU CG
CHARGE_ATTR 2.00 12.00 129
H B 0002 GLU OE1 7.118 H B 0005 LYS NZ
H B 0002 GLU OE2 5.349 H B 0005 LYS NZ
H B 0004 GLU OE1 11.84 H B 0005 LYS NZ
H B 0012 ASP OD1 6.676 H B 0015 HIS ND1
H B 0012 ASP OD1 7.963 H B 0015 HIS NE2
H B 0012 ASP OD2 8.594 H B 0015 HIS ND1
H B 0012 ASP OD2 9.629 H B 0015 HIS NE2
C B 0021 GLU OE1 10.00 H B 0015 HIS ND1
C B 0021 GLU OE1 11.66 H B 0015 HIS NE2
C B 0021 GLU OE2 11.89 H B 0015 HIS ND1
C B 0021 GLU OE1 6.315 H B 0020 ARG NH1
C B 0021 GLU OE1 5.128 H B 0020 ARG NH2
C B 0021 GLU OE2 5.890 H B 0020 ARG NH1
C B 0021 GLU OE2 4.118 H B 0020 ARG NH2
C B 0021 GLU OE1 10.07 C B 0024 LYS NZ
C B 0021 GLU OE2 11.54 C B 0024 LYS NZ
C B 0021 GLU OE1 11.68 C B 0026 LYS NZ
C B 0021 GLU OE2 11.42 C B 0026 LYS NZ
C B 0021 GLU OE1 9.114 C B 0028 LYS NZ
C B 0021 GLU OE2 8.390 C B 0028 LYS NZ
C B 0021 GLU OE2 11.98 H B 0033 LYS NZ
C B 0023 ASP OD1 11.36 H B 0020 ARG NH2
C B 0023 ASP OD2 11.62 H B 0020 ARG NH1
C B 0023 ASP OD2 9.638 H B 0020 ARG NH2
C B 0023 ASP OD1 6.924 C B 0024 LYS NZ
C B 0023 ASP OD2 8.664 C B 0024 LYS NZ
C B 0023 ASP OD1 9.585 C B 0025 HIS ND1
C B 0023 ASP OD1 10.52 C B 0025 HIS NE2
C B 0023 ASP OD2 10.78 C B 0025 HIS ND1
C B 0023 ASP OD2 11.87 C B 0025 HIS NE2
C B 0023 ASP OD1 4.777 C B 0026 LYS NZ
C B 0023 ASP OD2 5.734 C B 0026 LYS NZ
C B 0023 ASP OD1 3.920 C B 0028 LYS NZ
C B 0023 ASP OD2 3.328 C B 0028 LYS NZ
C B 0023 ASP OD1 11.26 H B 0029 LYS NZ
C B 0023 ASP OD2 9.847 H B 0029 LYS NZ
H B 0031 GLU OE1 11.00 H B 0015 HIS ND1
H B 0031 GLU OE2 10.32 H B 0015 HIS ND1
H B 0031 GLU OE1 8.208 H B 0020 ARG NH1
H B 0031 GLU OE1 6.696 H B 0020 ARG NH2
H B 0031 GLU OE2 6.495 H B 0020 ARG NH1
H B 0031 GLU OE2 5.381 H B 0020 ARG NH2
H B 0031 GLU OE1 11.75 C B 0024 LYS NZ
H B 0031 GLU OE2 11.93 C B 0024 LYS NZ
H B 0031 GLU OE1 11.12 C B 0025 HIS ND1
H B 0031 GLU OE1 10.75 C B 0026 LYS NZ
H B 0031 GLU OE1 7.951 C B 0028 LYS NZ
H B 0031 GLU OE2 9.624 C B 0028 LYS NZ
H B 0031 GLU OE1 11.75 H B 0029 LYS NZ
H B 0034 GLU OE1 3.128 H B 0020 ARG NH1
H B 0034 GLU OE1 2.401 H B 0020 ARG NH2
H B 0034 GLU OE2 3.667 H B 0020 ARG NH1
H B 0034 GLU OE2 2.881 H B 0020 ARG NH2
H B 0034 GLU OE1 7.919 H B 0033 LYS NZ
H B 0034 GLU OE2 6.772 H B 0033 LYS NZ
H B 0039 GLU OE1 10.82 H B 0042 HIS ND1
H B 0039 GLU OE1 11.62 H B 0042 HIS NE2
H B 0039 GLU OE2 9.666 H B 0042 HIS ND1
H B 0039 GLU OE2 10.14 H B 0042 HIS NE2
C B 0045 GLU OE1 8.871 H B 0042 HIS ND1
C B 0045 GLU OE1 8.165 H B 0042 HIS NE2
C B 0045 GLU OE2 10.08 H B 0042 HIS ND1
C B 0045 GLU OE2 9.401 H B 0042 HIS NE2
C B 0045 GLU OE1 10.93 C B 0048 LYS NZ
C B 0045 GLU OE2 10.24 C B 0048 LYS NZ
C B 0046 GLU OE1 7.185 C B 0048 LYS NZ
C B 0046 GLU OE2 6.862 C B 0048 LYS NZ
C B 0046 GLU OE1 11.73 H B 0055 LYS NZ
C B 0046 GLU OE2 10.66 H B 0055 LYS NZ
C B 0049 GLU OE1 7.424 C B 0048 LYS NZ
C B 0049 GLU OE2 5.765 C B 0048 LYS NZ
H B 0051 GLU OE1 10.53 C B 0048 LYS NZ
H B 0051 GLU OE2 8.772 C B 0048 LYS NZ
H B 0051 GLU OE1 7.057 H B 0055 LYS NZ
H B 0051 GLU OE2 7.477 H B 0055 LYS NZ
H B 0054 ASP OD1 9.832 H B 0029 LYS NZ
H B 0054 ASP OD2 9.710 H B 0029 LYS NZ
H B 0054 ASP OD1 9.002 H B 0055 LYS NZ
H B 0054 ASP OD2 10.23 H B 0055 LYS NZ
H B 0058 GLU OE1 6.841 H B 0055 LYS NZ
H B 0058 GLU OE2 7.964 H B 0055 LYS NZ
C B 0061 ASP OD1 9.954 H B 0029 LYS NZ
C B 0061 ASP OD2 9.504 H B 0029 LYS NZ
C B 0061 ASP OD2 11.51 H B 0055 LYS NZ
C B 0065 ASP OD2 11.31 C B 0025 HIS ND1
C B 0065 ASP OD2 10.97 C B 0025 HIS NE2
C B 0065 ASP OD1 10.90 C B 0026 LYS NZ
C B 0065 ASP OD2 9.506 C B 0026 LYS NZ
C B 0065 ASP OD1 10.51 C B 0028 LYS NZ
C B 0065 ASP OD2 9.610 C B 0028 LYS NZ
C B 0065 ASP OD1 9.040 H B 0029 LYS NZ
C B 0065 ASP OD2 9.772 H B 0029 LYS NZ
C B 0067 GLU OE1 9.503 C B 0025 HIS ND1
C B 0067 GLU OE1 9.432 C B 0025 HIS NE2
C B 0067 GLU OE2 9.429 C B 0025 HIS ND1
C B 0067 GLU OE2 8.933 C B 0025 HIS NE2
C B 0067 GLU OE1 4.610 C B 0026 LYS NZ
C B 0067 GLU OE2 5.874 C B 0026 LYS NZ
C B 0067 GLU OE1 4.868 C B 0028 LYS NZ
C B 0067 GLU OE2 6.923 C B 0028 LYS NZ
C B 0067 GLU OE1 7.805 H B 0029 LYS NZ
C B 0067 GLU OE2 9.310 H B 0029 LYS NZ
C B 0069 ASP OD1 6.698 C B 0025 HIS ND1
C B 0069 ASP OD1 6.856 C B 0025 HIS NE2
C B 0069 ASP OD2 7.353 C B 0025 HIS ND1
C B 0069 ASP OD2 6.937 C B 0025 HIS NE2
C B 0069 ASP OD1 7.257 C B 0026 LYS NZ
C B 0069 ASP OD2 8.486 C B 0026 LYS NZ
C B 0069 ASP OD1 7.517 C B 0028 LYS NZ
C B 0069 ASP OD2 9.295 C B 0028 LYS NZ
C B 0069 ASP OD1 11.19 H B 0029 LYS NZ
H B 0072 GLU OE1 11.83 C B 0028 LYS NZ
H B 0072 GLU OE2 11.98 C B 0028 LYS NZ
H B 0072 GLU OE1 11.12 H B 0029 LYS NZ
H B 0072 GLU OE2 11.63 H B 0029 LYS NZ
C B 0086 GLU OE1 9.788 C B 0085 HIS ND1
C B 0086 GLU OE1 9.849 C B 0085 HIS NE2
C B 0086 GLU OE2 9.839 C B 0085 HIS ND1
C B 0086 GLU OE2 9.930 C B 0085 HIS NE2
C B 0089 GLU OE2 11.10 C B 0085 HIS ND1
C B 0089 GLU OE2 11.59 C B 0085 HIS NE2
C B 0089 GLU OE1 7.566 C B 0090 HIS ND1
C B 0089 GLU OE1 8.972 C B 0090 HIS NE2
C B 0089 GLU OE2 8.504 C B 0090 HIS ND1
C B 0089 GLU OE2 9.584 C B 0090 HIS NE2
C B 0091 GLU OE1 6.121 C B 0090 HIS ND1
C B 0091 GLU OE1 5.208 C B 0090 HIS NE2
C B 0091 GLU OE2 5.159 C B 0090 HIS ND1
C B 0091 GLU OE2 3.637 C B 0090 HIS NE2
CHARGE_REPU 2.00 12.00 190
H B 0002 GLU OE1 9.503 H B 0004 GLU OE1
H B 0002 GLU OE1 9.714 H B 0004 GLU OE2
H B 0002 GLU OE2 10.25 H B 0004 GLU OE1
H B 0002 GLU OE2 10.86 H B 0004 GLU OE2
H B 0015 HIS ND1 9.440 C B 0024 LYS NZ
H B 0015 HIS NE2 9.125 C B 0024 LYS NZ
H B 0015 HIS ND1 9.910 C B 0025 HIS ND1
H B 0015 HIS ND1 11.95 C B 0025 HIS NE2
H B 0015 HIS NE2 9.217 C B 0025 HIS ND1
H B 0015 HIS NE2 11.05 C B 0025 HIS NE2
H B 0020 ARG NH2 11.89 C B 0028 LYS NZ
H B 0020 ARG NH1 10.10 H B 0033 LYS NZ
H B 0020 ARG NH2 9.586 H B 0033 LYS NZ
C B 0021 GLU OE1 7.714 C B 0023 ASP OD1
C B 0021 GLU OE1 6.635 C B 0023 ASP OD2
C B 0021 GLU OE2 7.850 C B 0023 ASP OD1
C B 0021 GLU OE2 6.271 C B 0023 ASP OD2
C B 0021 GLU OE1 3.912 H B 0031 GLU OE1
C B 0021 GLU OE1 2.738 H B 0031 GLU OE2
C B 0021 GLU OE2 3.184 H B 0031 GLU OE1
C B 0021 GLU OE2 2.617 H B 0031 GLU OE2
C B 0021 GLU OE1 6.377 H B 0034 GLU OE1
C B 0021 GLU OE1 7.734 H B 0034 GLU OE2
C B 0021 GLU OE2 5.075 H B 0034 GLU OE1
C B 0021 GLU OE2 6.264 H B 0034 GLU OE2
C B 0023 ASP OD1 8.204 H B 0031 GLU OE1
C B 0023 ASP OD1 9.204 H B 0031 GLU OE2
C B 0023 ASP OD2 6.891 H B 0031 GLU OE1
C B 0023 ASP OD2 7.943 H B 0031 GLU OE2
C B 0023 ASP OD2 10.91 H B 0034 GLU OE1
C B 0023 ASP OD2 11.41 H B 0034 GLU OE2
C B 0023 ASP OD1 8.079 C B 0067 GLU OE1
C B 0023 ASP OD1 9.811 C B 0067 GLU OE2
C B 0023 ASP OD2 8.042 C B 0067 GLU OE1
C B 0023 ASP OD2 10.02 C B 0067 GLU OE2
C B 0023 ASP OD1 9.616 C B 0069 ASP OD1
C B 0023 ASP OD1 11.43 C B 0069 ASP OD2
C B 0023 ASP OD2 9.790 C B 0069 ASP OD1
C B 0023 ASP OD2 11.76 C B 0069 ASP OD2
C B 0024 LYS NZ 8.625 C B 0025 HIS ND1
C B 0024 LYS NZ 9.711 C B 0025 HIS NE2
C B 0024 LYS NZ 9.685 C B 0026 LYS NZ
C B 0024 LYS NZ 10.46 C B 0028 LYS NZ
C B 0025 HIS ND1 8.966 C B 0026 LYS NZ
C B 0025 HIS NE2 8.957 C B 0026 LYS NZ
C B 0025 HIS ND1 10.21 C B 0028 LYS NZ
C B 0025 HIS NE2 10.86 C B 0028 LYS NZ
C B 0026 LYS NZ 3.592 C B 0028 LYS NZ
C B 0026 LYS NZ 9.884 H B 0029 LYS NZ
C B 0028 LYS NZ 7.629 H B 0029 LYS NZ
H B 0031 GLU OE1 6.664 H B 0034 GLU OE1
H B 0031 GLU OE1 8.266 H B 0034 GLU OE2
H B 0031 GLU OE2 5.513 H B 0034 GLU OE1
H B 0031 GLU OE2 7.332 H B 0034 GLU OE2
H B 0031 GLU OE1 10.40 C B 0067 GLU OE1
H B 0031 GLU OE1 9.761 C B 0069 ASP OD1
H B 0031 GLU OE1 11.86 C B 0069 ASP OD2
H B 0031 GLU OE2 11.74 C B 0069 ASP OD1
H B 0031 GLU OE1 11.97 H B 0072 GLU OE1
H B 0039 GLU OE1 11.43 C B 0045 GLU OE2
H B 0039 GLU OE2 11.16 C B 0045 GLU OE1
H B 0039 GLU OE2 10.37 C B 0045 GLU OE2
H B 0042 HIS ND1 10.66 C B 0085 HIS ND1
H B 0042 HIS NE2 10.52 C B 0085 HIS ND1
C B 0045 GLU OE1 7.048 C B 0046 GLU OE1
C B 0045 GLU OE1 9.100 C B 0046 GLU OE2
C B 0045 GLU OE2 7.917 C B 0046 GLU OE1
C B 0045 GLU OE2 9.866 C B 0046 GLU OE2
C B 0046 GLU OE1 10.43 C B 0049 GLU OE2
C B 0046 GLU OE2 11.27 C B 0049 GLU OE1
C B 0046 GLU OE2 9.203 C B 0049 GLU OE2
C B 0046 GLU OE1 11.09 H B 0051 GLU OE1
C B 0046 GLU OE1 9.183 H B 0051 GLU OE2
C B 0046 GLU OE2 9.782 H B 0051 GLU OE1
C B 0046 GLU OE2 8.060 H B 0051 GLU OE2
C B 0049 GLU OE1 7.018 H B 0051 GLU OE1
C B 0049 GLU OE1 6.664 H B 0051 GLU OE2
C B 0049 GLU OE2 6.583 H B 0051 GLU OE1
C B 0049 GLU OE2 5.795 H B 0051 GLU OE2
C B 0049 GLU OE1 11.97 H B 0054 ASP OD2
H B 0051 GLU OE1 7.782 H B 0054 ASP OD1
H B 0051 GLU OE1 7.537 H B 0054 ASP OD2
H B 0051 GLU OE2 8.667 H B 0054 ASP OD1
H B 0051 GLU OE2 8.648 H B 0054 ASP OD2
H B 0051 GLU OE1 9.354 H B 0058 GLU OE1
H B 0051 GLU OE1 11.36 H B 0058 GLU OE2
H B 0051 GLU OE2 10.57 H B 0058 GLU OE1
H B 0054 ASP OD1 5.144 H B 0058 GLU OE1
H B 0054 ASP OD1 7.045 H B 0058 GLU OE2
H B 0054 ASP OD2 6.570 H B 0058 GLU OE1
H B 0054 ASP OD2 8.451 H B 0058 GLU OE2
H B 0054 ASP OD1 8.485 C B 0061 ASP OD1
H B 0054 ASP OD1 6.509 C B 0061 ASP OD2
H B 0054 ASP OD2 10.32 C B 0061 ASP OD1
H B 0054 ASP OD2 8.359 C B 0061 ASP OD2
H B 0054 ASP OD1 11.36 C B 0065 ASP OD1
H B 0054 ASP OD1 11.65 H B 0072 GLU OE1
H B 0058 GLU OE1 8.774 C B 0061 ASP OD1
H B 0058 GLU OE1 6.802 C B 0061 ASP OD2
H B 0058 GLU OE2 8.891 C B 0061 ASP OD1
H B 0058 GLU OE2 7.123 C B 0061 ASP OD2
H B 0058 GLU OE1 11.14 C B 0062 GLU OE2
H B 0058 GLU OE2 11.31 C B 0062 GLU OE1
H B 0058 GLU OE2 10.19 C B 0062 GLU OE2
H B 0058 GLU OE2 11.20 C B 0063 ASP OD1
H B 0058 GLU OE1 11.77 C B 0065 ASP OD1
H B 0058 GLU OE2 11.47 C B 0065 ASP OD1
H B 0058 GLU OE1 11.93 H B 0072 GLU OE1
H B 0058 GLU OE2 11.82 H B 0072 GLU OE1
C B 0061 ASP OD1 8.973 C B 0062 GLU OE1
C B 0061 ASP OD1 7.577 C B 0062 GLU OE2
C B 0061 ASP OD2 9.895 C B 0062 GLU OE1
C B 0061 ASP OD2 8.432 C B 0062 GLU OE2
C B 0061 ASP OD1 5.620 C B 0063 ASP OD1
C B 0061 ASP OD1 7.511 C B 0063 ASP OD2
C B 0061 ASP OD2 6.814 C B 0063 ASP OD1
C B 0061 ASP OD2 8.772 C B 0063 ASP OD2
C B 0061 ASP OD1 4.671 C B 0065 ASP OD1
C B 0061 ASP OD1 6.359 C B 0065 ASP OD2
C B 0061 ASP OD2 5.710 C B 0065 ASP OD1
C B 0061 ASP OD2 7.704 C B 0065 ASP OD2
C B 0061 ASP OD1 9.756 C B 0067 GLU OE1
C B 0061 ASP OD1 9.667 C B 0067 GLU OE2
C B 0061 ASP OD2 10.80 C B 0067 GLU OE1
C B 0061 ASP OD2 10.82 C B 0067 GLU OE2
C B 0061 ASP OD1 9.357 C B 0069 ASP OD1
C B 0061 ASP OD1 9.456 C B 0069 ASP OD2
C B 0061 ASP OD2 11.09 C B 0069 ASP OD1
C B 0061 ASP OD2 11.22 C B 0069 ASP OD2
C B 0061 ASP OD1 3.268 H B 0072 GLU OE1
C B 0061 ASP OD1 4.552 H B 0072 GLU OE2
C B 0061 ASP OD2 5.400 H B 0072 GLU OE1
C B 0061 ASP OD2 6.427 H B 0072 GLU OE2
C B 0062 GLU OE1 7.707 C B 0063 ASP OD1
C B 0062 GLU OE1 9.023 C B 0063 ASP OD2
C B 0062 GLU OE2 7.729 C B 0063 ASP OD1
C B 0062 GLU OE2 9.387 C B 0063 ASP OD2
C B 0062 GLU OE1 10.56 C B 0065 ASP OD1
C B 0062 GLU OE1 11.37 C B 0065 ASP OD2
C B 0062 GLU OE2 10.03 C B 0065 ASP OD1
C B 0062 GLU OE2 11.07 C B 0065 ASP OD2
C B 0062 GLU OE1 8.605 H B 0072 GLU OE1
C B 0062 GLU OE1 8.330 H B 0072 GLU OE2
C B 0062 GLU OE2 7.614 H B 0072 GLU OE1
C B 0062 GLU OE2 7.860 H B 0072 GLU OE2
C B 0063 ASP OD1 3.463 C B 0065 ASP OD1
C B 0063 ASP OD1 4.093 C B 0065 ASP OD2
C B 0063 ASP OD2 4.235 C B 0065 ASP OD1
C B 0063 ASP OD2 3.809 C B 0065 ASP OD2
C B 0063 ASP OD1 9.116 C B 0067 GLU OE1
C B 0063 ASP OD1 7.803 C B 0067 GLU OE2
C B 0063 ASP OD2 8.567 C B 0067 GLU OE1
C B 0063 ASP OD2 6.873 C B 0067 GLU OE2
C B 0063 ASP OD1 8.219 C B 0069 ASP OD1
C B 0063 ASP OD1 7.039 C B 0069 ASP OD2
C B 0063 ASP OD2 7.548 C B 0069 ASP OD1
C B 0063 ASP OD2 5.961 C B 0069 ASP OD2
C B 0063 ASP OD1 4.691 H B 0072 GLU OE1
C B 0063 ASP OD1 2.919 H B 0072 GLU OE2
C B 0063 ASP OD2 6.019 H B 0072 GLU OE1
C B 0063 ASP OD2 3.902 H B 0072 GLU OE2
C B 0065 ASP OD1 6.304 C B 0067 GLU OE1
C B 0065 ASP OD1 5.562 C B 0067 GLU OE2
C B 0065 ASP OD2 5.039 C B 0067 GLU OE1
C B 0065 ASP OD2 3.865 C B 0067 GLU OE2
C B 0065 ASP OD1 6.630 C B 0069 ASP OD1
C B 0065 ASP OD1 6.245 C B 0069 ASP OD2
C B 0065 ASP OD2 4.822 C B 0069 ASP OD1
C B 0065 ASP OD2 4.196 C B 0069 ASP OD2
C B 0065 ASP OD1 4.223 H B 0072 GLU OE1
C B 0065 ASP OD1 3.288 H B 0072 GLU OE2
C B 0065 ASP OD2 4.815 H B 0072 GLU OE1
C B 0065 ASP OD2 3.439 H B 0072 GLU OE2
C B 0067 GLU OE1 4.364 C B 0069 ASP OD1
C B 0067 GLU OE1 5.375 C B 0069 ASP OD2
C B 0067 GLU OE2 4.063 C B 0069 ASP OD1
C B 0067 GLU OE2 4.142 C B 0069 ASP OD2
C B 0067 GLU OE1 8.488 H B 0072 GLU OE1
C B 0067 GLU OE1 7.965 H B 0072 GLU OE2
C B 0067 GLU OE2 8.123 H B 0072 GLU OE1
C B 0067 GLU OE2 7.079 H B 0072 GLU OE2
C B 0069 ASP OD1 6.808 H B 0072 GLU OE1
C B 0069 ASP OD1 6.254 H B 0072 GLU OE2
C B 0069 ASP OD2 6.751 H B 0072 GLU OE1
C B 0069 ASP OD2 5.572 H B 0072 GLU OE2
C B 0086 GLU OE1 8.618 C B 0089 GLU OE1
C B 0086 GLU OE1 7.906 C B 0089 GLU OE2
C B 0086 GLU OE2 10.58 C B 0089 GLU OE1
C B 0086 GLU OE2 9.885 C B 0089 GLU OE2
C B 0089 GLU OE1 11.93 C B 0091 GLU OE2
HB_MM 2.00 3.20 150
C B 0001 SER N 2.195 C B 0000 MET O
H B 0002 GLU N 2.201 C B 0001 SER O
H B 0003 LEU N 2.196 H B 0002 GLU O
H B 0004 GLU N 3.115 C B 0001 SER O
H B 0004 GLU N 2.186 H B 0003 LEU O
H B 0005 LYS N 3.036 H B 0002 GLU O
H B 0005 LYS N 2.193 H B 0004 GLU O
H B 0006 ALA N 2.983 H B 0002 GLU O
H B 0006 ALA N 3.144 H B 0003 LEU O
H B 0006 ALA N 2.197 H B 0005 LYS O
H B 0007 MET N 2.735 H B 0003 LEU O
H B 0007 MET N 2.194 H B 0006 ALA O
H B 0008 VAL N 3.200 H B 0004 GLU O
H B 0008 VAL N 2.200 H B 0007 MET O
H B 0009 ALA N 2.902 H B 0005 LYS O
H B 0009 ALA N 3.198 H B 0006 ALA O
H B 0009 ALA N 2.197 H B 0008 VAL O
H B 0010 LEU N 2.760 H B 0006 ALA O
H B 0010 LEU N 2.195 H B 0009 ALA O
H B 0011 ILE N 2.198 H B 0010 LEU O
H B 0012 ASP N 2.679 H B 0008 VAL O
H B 0012 ASP N 2.196 H B 0011 ILE O
H B 0013 VAL N 2.896 H B 0009 ALA O
H B 0013 VAL N 2.193 H B 0012 ASP O
H B 0014 PHE N 2.191 H B 0013 VAL O
H B 0015 HIS N 3.168 H B 0011 ILE O
H B 0015 HIS N 2.192 H B 0014 PHE O
H B 0016 GLN N 3.106 H B 0012 ASP O
H B 0016 GLN N 2.194 H B 0015 HIS O
H B 0017 TYR N 2.662 H B 0013 VAL O
H B 0017 TYR N 2.194 H B 0016 GLN O
H B 0018 SER N 2.868 H B 0014 PHE O
H B 0018 SER N 2.195 H B 0017 TYR O
H B 0019 GLY N 3.019 H B 0015 HIS O
H B 0019 GLY N 2.194 H B 0018 SER O
H B 0020 ARG N 3.184 H B 0018 SER O
H B 0020 ARG N 2.191 H B 0019 GLY O
C B 0021 GLU N 2.202 H B 0020 ARG O
C B 0022 GLY N 2.198 C B 0021 GLU O
C B 0023 ASP N 2.752 C B 0021 GLU O
C B 0023 ASP N 2.198 C B 0022 GLY O
C B 0024 LYS N 2.203 C B 0023 ASP O
C B 0025 HIS N 2.202 C B 0024 LYS O
C B 0026 LYS N 2.193 C B 0025 HIS O
C B 0027 LEU N 2.207 C B 0026 LYS O
C B 0027 LEU N 3.188 C B 0068 CYS O
C B 0028 LYS N 2.204 C B 0027 LEU O
H B 0029 LYS N 2.204 C B 0028 LYS O
H B 0030 SER N 2.196 H B 0029 LYS O
H B 0031 GLU N 2.193 H B 0030 SER O
H B 0032 LEU N 2.197 H B 0031 GLU O
H B 0033 LYS N 3.187 H B 0030 SER O
H B 0033 LYS N 2.193 H B 0032 LEU O
H B 0034 GLU N 3.109 H B 0031 GLU O
H B 0034 GLU N 2.198 H B 0033 LYS O
H B 0035 LEU N 3.027 H B 0031 GLU O
H B 0035 LEU N 3.148 H B 0032 LEU O
H B 0035 LEU N 2.194 H B 0034 GLU O
H B 0036 ILE N 2.196 H B 0035 LEU O
H B 0037 ASN N 2.938 H B 0033 LYS O
H B 0037 ASN N 3.195 H B 0034 GLU O
H B 0037 ASN N 2.198 H B 0036 ILE O
H B 0038 ASN N 2.772 H B 0034 GLU O
H B 0038 ASN N 3.186 H B 0035 LEU O
H B 0038 ASN N 2.192 H B 0037 ASN O
H B 0039 GLU N 2.194 H B 0038 ASN O
H B 0040 LEU N 2.193 H B 0039 GLU O
H B 0041 SER N 2.200 H B 0040 LEU O
H B 0042 HIS N 2.833 H B 0040 LEU O
H B 0042 HIS N 2.194 H B 0041 SER O
C B 0043 PHE N 2.194 H B 0042 HIS O
C B 0044 LEU N 2.206 C B 0043 PHE O
C B 0045 GLU N 2.201 C B 0044 LEU O
C B 0046 GLU N 2.201 C B 0045 GLU O
C B 0047 ILE N 2.190 C B 0046 GLU O
C B 0048 LYS N 2.200 C B 0047 ILE O
C B 0049 GLU N 2.199 C B 0048 LYS O
H B 0050 GLN N 2.194 C B 0049 GLU O
H B 0051 GLU N 3.087 C B 0049 GLU O
H B 0051 GLU N 2.194 H B 0050 GLN O
H B 0052 VAL N 3.069 C B 0049 GLU O
H B 0052 VAL N 3.130 H B 0050 GLN O
H B 0052 VAL N 2.194 H B 0051 GLU O
H B 0053 VAL N 3.119 H B 0050 GLN O
H B 0053 VAL N 2.196 H B 0052 VAL O
H B 0054 ASP N 3.182 H B 0051 GLU O
H B 0054 ASP N 2.198 H B 0053 VAL O
H B 0055 LYS N 2.825 H B 0051 GLU O
H B 0055 LYS N 2.198 H B 0054 ASP O
H B 0056 VAL N 2.881 H B 0052 VAL O
H B 0056 VAL N 2.199 H B 0055 LYS O
H B 0057 MET N 2.620 H B 0053 VAL O
H B 0057 MET N 3.186 H B 0054 ASP O
H B 0057 MET N 2.195 H B 0056 VAL O
H B 0058 GLU N 3.078 H B 0054 ASP O
H B 0058 GLU N 2.187 H B 0057 MET O
H B 0059 THR N 3.031 H B 0056 VAL O
H B 0059 THR N 2.196 H B 0058 GLU O
H B 0060 LEU N 2.193 H B 0059 THR O
C B 0061 ASP N 3.113 H B 0058 GLU O
C B 0061 ASP N 2.192 H B 0060 LEU O
C B 0062 GLU N 2.200 C B 0061 ASP O
C B 0063 ASP N 2.202 C B 0062 GLU O
C B 0064 GLY N 2.195 C B 0063 ASP O
C B 0065 ASP N 3.126 C B 0063 ASP O
C B 0065 ASP N 2.198 C B 0064 GLY O
C B 0066 GLY N 2.195 C B 0065 ASP O
C B 0067 GLU N 2.196 C B 0066 GLY O
C B 0068 CYS N 2.205 C B 0067 GLU O
C B 0069 ASP N 2.202 C B 0068 CYS O
H B 0070 PHE N 2.196 C B 0069 ASP O
H B 0071 GLN N 2.192 H B 0070 PHE O
H B 0072 GLU N 3.183 C B 0069 ASP O
H B 0072 GLU N 2.195 H B 0071 GLN O
H B 0073 PHE N 3.131 C B 0069 ASP O
H B 0073 PHE N 3.119 H B 0070 PHE O
H B 0073 PHE N 2.194 H B 0072 GLU O
H B 0074 MET N 3.199 H B 0072 GLU O
H B 0074 MET N 2.193 H B 0073 PHE O
H B 0075 ALA N 2.929 H B 0072 GLU O
H B 0075 ALA N 3.193 H B 0073 PHE O
H B 0075 ALA N 2.196 H B 0074 MET O
H B 0076 PHE N 3.052 H B 0073 PHE O
H B 0076 PHE N 2.194 H B 0075 ALA O
H B 0077 VAL N 3.020 H B 0074 MET O
H B 0077 VAL N 2.195 H B 0076 PHE O
H B 0078 SER N 3.087 H B 0075 ALA O
H B 0078 SER N 2.197 H B 0077 VAL O
H B 0079 MET N 3.071 H B 0075 ALA O
H B 0079 MET N 2.996 H B 0076 PHE O
H B 0079 MET N 2.200 H B 0078 SER O
H B 0080 VAL N 3.127 H B 0076 PHE O
H B 0080 VAL N 3.164 H B 0077 VAL O
H B 0080 VAL N 2.194 H B 0079 MET O
H B 0081 THR N 2.196 H B 0080 VAL O
H B 0082 THR N 2.981 H B 0078 SER O
H B 0082 THR N 2.191 H B 0081 THR O
H B 0083 ALA N 2.900 H B 0079 MET O
H B 0083 ALA N 2.197 H B 0082 THR O
C B 0084 CYS N 2.870 H B 0080 VAL O
C B 0084 CYS N 2.194 H B 0083 ALA O
C B 0085 HIS N 2.200 C B 0084 CYS O
C B 0086 GLU N 2.199 C B 0085 HIS O
C B 0087 PHE N 2.197 C B 0086 GLU O
C B 0088 PHE N 2.614 C B 0086 GLU O
C B 0088 PHE N 2.197 C B 0087 PHE O
C B 0089 GLU N 3.048 C B 0087 PHE O
C B 0089 GLU N 2.197 C B 0088 PHE O
C B 0090 HIS N 2.190 C B 0089 GLU O
C B 0091 GLU N 2.192 C B 0090 HIS O
HB_MS 2.00 3.20 17
H B 0003 LEU N 2.992 H B 0002 GLU OE1
H B 0014 PHE O 2.627 H B 0018 SER OG
H B 0019 GLY N 3.079 H B 0018 SER OG
H B 0031 GLU N 2.779 H B 0030 SER OG
H B 0042 HIS N 3.198 H B 0041 SER OG
H B 0052 VAL N 2.721 H B 0051 GLU OE2
H B 0055 LYS O 3.199 H B 0059 THR OG1
C B 0064 GLY N 2.930 C B 0063 ASP OD1
C B 0066 GLY N 2.841 C B 0065 ASP OD1
C B 0067 GLU N 2.940 C B 0065 ASP OD1
H B 0075 ALA O 2.397 H B 0078 SER OG
H B 0078 SER O 2.726 H B 0081 THR OG1
H B 0078 SER O 3.070 H B 0082 THR OG1
H B 0079 MET N 2.808 H B 0078 SER OG
H B 0079 MET O 3.079 H B 0082 THR OG1
H B 0082 THR N 2.866 H B 0081 THR OG1
H B 0083 ALA N 2.905 H B 0082 THR OG1
AROMATIC 0.00 8.00 3
H B 0014 PHE 4.808 H B 0070 PHE
H B 0042 HIS 5.525 C B 0043 PHE
H B 0020 ARG 6.899 H B 0017 TYR