Complet list of 1jwd con file
Complete list of 1jwd.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 338
C A 0001 MET C 2.454 H A 0002 ALA CA
C A 0001 MET C 3.164 H A 0002 ALA C
C A 0001 MET C 3.689 H A 0002 ALA CB
C A 0001 MET C 3.772 H A 0004 PRO CD
H A 0002 ALA C 2.479 H A 0003 SER CA
H A 0002 ALA C 3.045 H A 0003 SER C
H A 0002 ALA C 3.730 H A 0003 SER CB
H A 0002 ALA C 3.345 H A 0004 PRO CD
H A 0002 ALA C 3.525 H A 0006 ASP CG
H A 0003 SER CA 3.020 H A 0004 PRO CD
H A 0003 SER C 2.464 H A 0004 PRO CA
H A 0003 SER C 3.022 H A 0004 PRO C
H A 0003 SER C 3.689 H A 0004 PRO CB
H A 0003 SER C 3.667 H A 0004 PRO CG
H A 0003 SER C 2.514 H A 0004 PRO CD
H A 0003 SER CB 3.483 H A 0004 PRO CD
H A 0004 PRO C 2.415 H A 0005 LEU CA
H A 0004 PRO C 3.049 H A 0005 LEU C
H A 0004 PRO C 3.708 H A 0005 LEU CB
H A 0005 LEU C 2.457 H A 0006 ASP CA
H A 0005 LEU C 2.954 H A 0006 ASP C
H A 0005 LEU C 3.748 H A 0006 ASP CB
H A 0006 ASP C 2.432 H A 0007 GLN CA
H A 0006 ASP C 3.026 H A 0007 GLN C
H A 0006 ASP C 3.722 H A 0007 GLN CB
H A 0007 GLN C 2.438 H A 0008 ALA CA
H A 0007 GLN C 3.048 H A 0008 ALA C
H A 0007 GLN C 3.711 H A 0008 ALA CB
H A 0008 ALA C 2.422 H A 0009 ILE CA
H A 0008 ALA C 2.916 H A 0009 ILE C
H A 0008 ALA C 3.759 H A 0009 ILE CB
H A 0009 ILE C 2.477 H A 0010 GLY CA
H A 0009 ILE C 2.967 H A 0010 GLY C
H A 0009 ILE C 3.606 H A 0013 ILE CD1
H A 0010 GLY C 2.468 H A 0011 LEU CA
H A 0010 GLY C 3.004 H A 0011 LEU C
H A 0010 GLY C 3.729 H A 0011 LEU CB
H A 0011 LEU C 2.468 H A 0012 LEU CA
H A 0011 LEU C 2.969 H A 0012 LEU C
H A 0011 LEU C 3.745 H A 0012 LEU CB
H A 0011 LEU CD1 3.760 H A 0015 ILE CG1
H A 0011 LEU CD1 3.227 H A 0015 ILE CD1
H A 0012 LEU C 2.447 H A 0013 ILE CA
H A 0012 LEU C 3.010 H A 0013 ILE C
H A 0012 LEU C 3.729 H A 0013 ILE CB
H A 0012 LEU CD2 3.720 H A 0077 LEU CD1
H A 0013 ILE C 2.467 H A 0014 GLY CA
H A 0013 ILE C 3.025 H A 0014 GLY C
H A 0013 ILE CG1 3.710 H A 0070 PHE CZ
H A 0014 GLY C 2.458 H A 0015 ILE CA
H A 0014 GLY C 2.936 H A 0015 ILE C
H A 0014 GLY C 3.741 H A 0015 ILE CB
H A 0015 ILE C 2.428 H A 0016 PHE CA
H A 0015 ILE C 2.994 H A 0016 PHE C
H A 0015 ILE C 3.713 H A 0016 PHE CB
H A 0015 ILE CG2 3.653 H A 0037 LEU CD1
H A 0016 PHE C 2.439 H A 0017 HIS CA
H A 0016 PHE C 3.103 H A 0017 HIS C
H A 0016 PHE C 3.705 H A 0017 HIS CB
H A 0016 PHE CD1 3.416 H A 0017 HIS CE1
H A 0016 PHE CE1 3.596 C A 0027 HIS C
H A 0016 PHE CZ 3.682 C A 0027 HIS C
H A 0016 PHE CZ 3.786 E A 0028 THR C
H A 0016 PHE CG 3.702 E A 0029 LEU CD1
H A 0016 PHE CD2 3.481 E A 0029 LEU CD1
H A 0016 PHE CE2 3.693 E A 0029 LEU CB
H A 0016 PHE CE2 3.687 E A 0029 LEU CD1
H A 0016 PHE CZ 3.549 E A 0029 LEU CB
H A 0016 PHE CE2 3.672 H A 0070 PHE CA
H A 0016 PHE CZ 3.565 H A 0070 PHE CA
H A 0016 PHE CB 3.734 H A 0073 TYR CE2
H A 0016 PHE CD2 3.522 H A 0073 TYR CG
H A 0016 PHE CD2 3.485 H A 0073 TYR CD2
H A 0016 PHE CD2 3.788 H A 0073 TYR CE2
H A 0016 PHE CE2 3.748 H A 0073 TYR CB
H A 0017 HIS C 2.450 H A 0018 LYS CA
H A 0017 HIS C 2.936 H A 0018 LYS C
H A 0017 HIS C 3.710 H A 0018 LYS CB
H A 0017 HIS CE1 3.772 H A 0070 PHE CD1
H A 0018 LYS C 2.444 H A 0019 TYR CA
H A 0018 LYS C 3.205 H A 0019 TYR C
H A 0018 LYS C 3.664 H A 0019 TYR CB
H A 0019 TYR C 2.419 H A 0020 SER CA
H A 0019 TYR C 2.917 H A 0020 SER C
H A 0019 TYR C 3.751 H A 0020 SER CB
H A 0019 TYR CE2 3.412 H A 0036 GLU C
H A 0019 TYR CZ 3.742 H A 0036 GLU C
H A 0019 TYR CG 3.632 H A 0037 LEU CB
H A 0019 TYR CD1 3.717 H A 0037 LEU CB
H A 0019 TYR CE1 3.618 H A 0037 LEU CA
H A 0019 TYR CE2 3.577 H A 0037 LEU CA
H A 0019 TYR CZ 3.452 H A 0037 LEU CA
H A 0020 SER C 2.485 H A 0021 GLY CA
H A 0020 SER C 2.988 H A 0021 GLY C
H A 0021 GLY C 2.470 H A 0022 LYS CA
H A 0021 GLY C 3.027 H A 0022 LYS C
H A 0021 GLY C 3.710 H A 0022 LYS CB
H A 0021 GLY CA 3.775 H A 0024 GLY C
H A 0022 LYS C 2.465 H A 0023 GLU CA
H A 0022 LYS C 3.260 H A 0023 GLU C
H A 0022 LYS C 3.681 H A 0023 GLU CB
H A 0023 GLU C 2.469 H A 0024 GLY CA
H A 0023 GLU C 3.702 H A 0024 GLY C
H A 0024 GLY C 2.452 C A 0025 ASP CA
H A 0024 GLY C 3.097 C A 0025 ASP C
H A 0024 GLY C 3.715 C A 0025 ASP CB
C A 0025 ASP C 2.478 C A 0026 LYS CA
C A 0025 ASP C 3.483 C A 0026 LYS C
C A 0025 ASP C 3.534 C A 0026 LYS CB
C A 0025 ASP C 3.610 C A 0026 LYS CG
C A 0026 LYS C 2.459 C A 0027 HIS CA
C A 0026 LYS C 3.270 C A 0027 HIS C
C A 0026 LYS C 3.627 C A 0027 HIS CB
C A 0027 HIS C 2.498 E A 0028 THR CA
C A 0027 HIS C 3.616 E A 0028 THR C
C A 0027 HIS C 3.302 E A 0028 THR CB
E A 0028 THR C 2.463 E A 0029 LEU CA
E A 0028 THR C 3.640 E A 0029 LEU C
E A 0028 THR C 3.202 E A 0029 LEU CB
E A 0028 THR CG2 3.718 E A 0067 GLU CB
E A 0028 THR CG2 3.727 E A 0067 GLU CD
E A 0029 LEU C 2.440 E A 0030 SER CA
E A 0029 LEU C 3.150 E A 0030 SER C
E A 0029 LEU C 3.696 E A 0030 SER CB
E A 0029 LEU CD2 3.641 H A 0033 GLU C
E A 0029 LEU CD2 3.752 H A 0033 GLU CG
E A 0029 LEU CD2 3.582 H A 0034 LEU CA
E A 0030 SER C 2.448 H A 0031 LYS CA
E A 0030 SER C 3.101 H A 0031 LYS C
E A 0030 SER C 3.713 H A 0031 LYS CB
H A 0031 LYS C 2.419 H A 0032 LYS CA
H A 0031 LYS C 3.003 H A 0032 LYS C
H A 0031 LYS C 3.712 H A 0032 LYS CB
H A 0031 LYS CB 3.757 H A 0061 ASP CB
H A 0032 LYS C 2.454 H A 0033 GLU CA
H A 0032 LYS C 3.041 H A 0033 GLU C
H A 0032 LYS C 3.694 H A 0033 GLU CB
H A 0033 GLU C 2.463 H A 0034 LEU CA
H A 0033 GLU C 2.971 H A 0034 LEU C
H A 0033 GLU C 3.749 H A 0034 LEU CB
H A 0034 LEU C 2.407 H A 0035 LYS CA
H A 0034 LEU C 2.920 H A 0035 LYS C
H A 0034 LEU C 3.711 H A 0035 LYS CB
H A 0034 LEU CD1 3.399 H A 0038 ILE CD1
H A 0034 LEU CD1 3.731 H A 0060 LEU CD1
H A 0035 LYS C 2.466 H A 0036 GLU CA
H A 0035 LYS C 3.072 H A 0036 GLU C
H A 0035 LYS C 3.722 H A 0036 GLU CB
H A 0035 LYS CE 3.578 H A 0054 VAL CG1
H A 0036 GLU C 2.470 H A 0037 LEU CA
H A 0036 GLU C 2.995 H A 0037 LEU C
H A 0036 GLU C 3.743 H A 0037 LEU CB
H A 0037 LEU CA 3.798 H A 0038 ILE CA
H A 0037 LEU C 2.435 H A 0038 ILE CA
H A 0037 LEU C 2.971 H A 0038 ILE C
H A 0037 LEU C 3.708 H A 0038 ILE CB
H A 0038 ILE C 2.435 H A 0039 GLN CA
H A 0038 ILE C 2.973 H A 0039 GLN C
H A 0038 ILE C 3.722 H A 0039 GLN CB
H A 0038 ILE CG2 3.773 C A 0044 ILE CD1
H A 0038 ILE CD1 3.084 H A 0056 LEU CD2
H A 0039 GLN C 2.421 H A 0040 LYS CA
H A 0039 GLN C 3.161 H A 0040 LYS C
H A 0039 GLN C 3.665 H A 0040 LYS CB
H A 0039 GLN CD 3.722 H A 0047 LYS CE
H A 0040 LYS C 2.459 H A 0041 GLU CA
H A 0040 LYS C 3.152 H A 0041 GLU C
H A 0040 LYS C 3.708 H A 0041 GLU CB
H A 0041 GLU C 2.456 H A 0042 LEU CA
H A 0041 GLU C 3.235 H A 0042 LEU C
H A 0041 GLU C 3.653 H A 0042 LEU CB
H A 0041 GLU C 3.686 H A 0042 LEU CD1
H A 0041 GLU CB 3.780 H A 0042 LEU CD1
H A 0042 LEU C 2.472 C A 0043 THR CA
H A 0042 LEU C 3.123 C A 0043 THR C
H A 0042 LEU C 3.705 C A 0043 THR CB
C A 0043 THR C 2.461 C A 0044 ILE CA
C A 0043 THR C 3.054 C A 0044 ILE C
C A 0043 THR C 3.756 C A 0044 ILE CB
C A 0044 ILE C 2.443 C A 0045 GLY CA
C A 0044 ILE C 2.951 C A 0045 GLY C
C A 0044 ILE CD1 3.582 H A 0053 ILE CD1
C A 0045 GLY C 2.479 H A 0046 SER CA
C A 0045 GLY C 3.181 H A 0046 SER C
C A 0045 GLY C 3.690 H A 0046 SER CB
H A 0046 SER C 2.471 H A 0047 LYS CA
H A 0046 SER C 3.075 H A 0047 LYS C
H A 0046 SER C 3.745 H A 0047 LYS CB
H A 0047 LYS C 2.462 H A 0048 LEU CA
H A 0047 LYS C 2.962 H A 0048 LEU C
H A 0047 LYS C 3.732 H A 0048 LEU CB
H A 0048 LEU C 2.465 H A 0049 GLN CA
H A 0048 LEU C 3.160 H A 0049 GLN C
H A 0048 LEU C 3.720 H A 0049 GLN CB
H A 0049 GLN C 2.479 H A 0050 ASP CA
H A 0049 GLN C 2.973 H A 0050 ASP C
H A 0049 GLN C 3.727 H A 0050 ASP CB
H A 0050 ASP C 2.459 H A 0051 ALA CA
H A 0050 ASP C 2.980 H A 0051 ALA C
H A 0050 ASP C 3.718 H A 0051 ALA CB
H A 0051 ALA C 2.448 H A 0052 GLU CA
H A 0051 ALA C 3.008 H A 0052 GLU C
H A 0051 ALA C 3.732 H A 0052 GLU CB
H A 0051 ALA CA 3.780 H A 0054 VAL CG2
H A 0052 GLU C 2.436 H A 0053 ILE CA
H A 0052 GLU C 2.978 H A 0053 ILE C
H A 0052 GLU C 3.758 H A 0053 ILE CB
H A 0053 ILE C 2.422 H A 0054 VAL CA
H A 0053 ILE C 3.098 H A 0054 VAL C
H A 0053 ILE C 3.733 H A 0054 VAL CB
H A 0054 VAL C 2.427 H A 0055 LYS CA
H A 0054 VAL C 2.977 H A 0055 LYS C
H A 0054 VAL C 3.721 H A 0055 LYS CB
H A 0055 LYS C 2.450 H A 0056 LEU CA
H A 0055 LYS C 3.006 H A 0056 LEU C
H A 0055 LYS C 3.694 H A 0056 LEU CB
H A 0056 LEU C 2.470 H A 0057 MET CA
H A 0056 LEU C 2.980 H A 0057 MET C
H A 0056 LEU C 3.732 H A 0057 MET CB
H A 0056 LEU CD2 3.631 H A 0060 LEU CD1
H A 0056 LEU CG 3.727 H A 0076 PHE CZ
H A 0056 LEU CD1 3.763 H A 0076 PHE CE2
H A 0056 LEU CD1 3.730 H A 0080 LEU CD1
H A 0057 MET C 2.457 H A 0058 ASP CA
H A 0057 MET C 2.930 H A 0058 ASP C
H A 0057 MET C 3.737 H A 0058 ASP CB
H A 0058 ASP C 2.444 H A 0059 ASP CA
H A 0058 ASP C 3.031 H A 0059 ASP C
H A 0058 ASP C 3.738 H A 0059 ASP CB
H A 0059 ASP C 2.456 H A 0060 LEU CA
H A 0059 ASP C 3.046 H A 0060 LEU C
H A 0059 ASP C 3.733 H A 0060 LEU CB
H A 0059 ASP CB 3.779 H A 0076 PHE CE1
H A 0060 LEU C 2.453 H A 0061 ASP CA
H A 0060 LEU C 3.123 H A 0061 ASP C
H A 0060 LEU C 3.731 H A 0061 ASP CB
H A 0060 LEU CG 3.579 H A 0076 PHE CG
H A 0060 LEU CG 3.476 H A 0076 PHE CD2
H A 0060 LEU CD2 3.531 H A 0076 PHE CB
H A 0060 LEU CD2 3.426 H A 0076 PHE CG
H A 0060 LEU CD2 3.387 H A 0076 PHE CD2
H A 0061 ASP C 2.492 H A 0062 ARG CA
H A 0061 ASP C 3.031 H A 0062 ARG C
H A 0061 ASP C 3.739 H A 0062 ARG CB
H A 0062 ARG C 2.458 C A 0063 ASN CA
H A 0062 ARG C 2.948 C A 0063 ASN C
H A 0062 ARG C 3.751 C A 0063 ASN CB
C A 0063 ASN C 2.467 C A 0064 LYS CA
C A 0063 ASN C 3.721 C A 0064 LYS C
C A 0063 ASN C 3.246 C A 0064 LYS CB
C A 0064 LYS C 2.530 C A 0065 ASP CA
C A 0064 LYS C 3.256 C A 0065 ASP C
C A 0064 LYS C 3.249 C A 0065 ASP CB
C A 0064 LYS C 3.466 C A 0065 ASP CG
C A 0065 ASP C 2.457 C A 0066 GLN CA
C A 0065 ASP C 3.159 C A 0066 GLN C
C A 0065 ASP C 3.707 C A 0066 GLN CB
C A 0066 GLN C 2.459 E A 0067 GLU CA
C A 0066 GLN C 3.629 E A 0067 GLU C
C A 0066 GLN C 3.368 E A 0067 GLU CB
C A 0066 GLN C 3.323 E A 0067 GLU CG
E A 0067 GLU CA 3.799 E A 0068 VAL CA
E A 0067 GLU C 2.467 E A 0068 VAL CA
E A 0067 GLU C 3.149 E A 0068 VAL C
E A 0067 GLU C 3.692 E A 0068 VAL CB
E A 0068 VAL C 2.456 E A 0069 ASN CA
E A 0068 VAL C 3.437 E A 0069 ASN C
E A 0068 VAL C 3.537 E A 0069 ASN CB
E A 0068 VAL C 3.735 E A 0069 ASN CG
E A 0068 VAL CG1 3.795 H A 0073 TYR CB
E A 0069 ASN C 2.470 H A 0070 PHE CA
E A 0069 ASN C 3.004 H A 0070 PHE C
E A 0069 ASN C 3.710 H A 0070 PHE CB
H A 0070 PHE C 2.443 H A 0071 GLN CA
H A 0070 PHE C 2.968 H A 0071 GLN C
H A 0070 PHE C 3.717 H A 0071 GLN CB
H A 0070 PHE CE1 3.738 H A 0074 ILE CG1
H A 0070 PHE CE1 3.726 H A 0074 ILE CD1
H A 0070 PHE CZ 3.546 H A 0074 ILE CG1
H A 0070 PHE CZ 3.695 H A 0074 ILE CD1
H A 0071 GLN C 2.458 H A 0072 GLU CA
H A 0071 GLN C 3.088 H A 0072 GLU C
H A 0071 GLN C 3.719 H A 0072 GLU CB
H A 0072 GLU C 2.456 H A 0073 TYR CA
H A 0072 GLU C 2.963 H A 0073 TYR C
H A 0072 GLU C 3.728 H A 0073 TYR CB
H A 0073 TYR C 2.438 H A 0074 ILE CA
H A 0073 TYR C 2.983 H A 0074 ILE C
H A 0073 TYR C 3.753 H A 0074 ILE CB
H A 0073 TYR CE1 3.606 H A 0077 LEU CD1
H A 0073 TYR CZ 3.486 H A 0077 LEU CD1
H A 0074 ILE C 2.465 H A 0075 THR CA
H A 0074 ILE C 2.997 H A 0075 THR C
H A 0074 ILE C 3.711 H A 0075 THR CB
H A 0075 THR C 2.447 H A 0076 PHE CA
H A 0075 THR C 3.041 H A 0076 PHE C
H A 0075 THR C 3.727 H A 0076 PHE CB
H A 0076 PHE C 2.431 H A 0077 LEU CA
H A 0076 PHE C 2.952 H A 0077 LEU C
H A 0076 PHE C 3.732 H A 0077 LEU CB
H A 0077 LEU C 2.445 H A 0078 GLY CA
H A 0077 LEU C 2.994 H A 0078 GLY C
H A 0078 GLY C 2.446 H A 0079 ALA CA
H A 0078 GLY C 2.999 H A 0079 ALA C
H A 0078 GLY C 3.741 H A 0079 ALA CB
H A 0079 ALA C 2.460 H A 0080 LEU CA
H A 0079 ALA C 2.998 H A 0080 LEU C
H A 0079 ALA C 3.724 H A 0080 LEU CB
H A 0080 LEU C 2.453 H A 0081 ALA CA
H A 0080 LEU C 3.009 H A 0081 ALA C
H A 0080 LEU C 3.713 H A 0081 ALA CB
H A 0080 LEU CG 3.702 H A 0084 TYR CZ
H A 0081 ALA C 2.449 H A 0082 MET CA
H A 0081 ALA C 2.981 H A 0082 MET C
H A 0081 ALA C 3.723 H A 0082 MET CB
H A 0082 MET C 2.458 H A 0083 ILE CA
H A 0082 MET C 2.966 H A 0083 ILE C
H A 0082 MET C 3.749 H A 0083 ILE CB
H A 0083 ILE C 2.472 H A 0084 TYR CA
H A 0083 ILE C 3.176 H A 0084 TYR C
H A 0083 ILE C 3.739 H A 0084 TYR CB
H A 0084 TYR C 2.517 H A 0085 ASN CA
H A 0084 TYR C 3.017 H A 0085 ASN C
H A 0084 TYR C 3.727 H A 0085 ASN CB
H A 0085 ASN C 2.465 H A 0086 GLU CA
H A 0085 ASN C 2.934 H A 0086 GLU C
H A 0085 ASN C 3.714 H A 0086 GLU CB
H A 0086 GLU C 2.464 H A 0087 ALA CA
H A 0086 GLU C 3.028 H A 0087 ALA C
H A 0086 GLU C 3.718 H A 0087 ALA CB
H A 0087 ALA C 2.456 H A 0088 LEU CA
H A 0087 ALA C 3.118 H A 0088 LEU C
H A 0087 ALA C 3.712 H A 0088 LEU CB
H A 0088 LEU C 2.450 H A 0089 LYS CA
H A 0088 LEU C 3.016 H A 0089 LYS C
H A 0088 LEU C 3.735 H A 0089 LYS CB
H A 0089 LYS C 2.454 H A 0090 GLY CA
H A 0089 LYS C 3.712 H A 0090 GLY C
CHARGE_ATTR 2.00 12.00 109
H A 0023 GLU OE1 11.34 H A 0017 HIS ND1
H A 0023 GLU OE1 10.04 H A 0017 HIS NE2
H A 0023 GLU OE2 11.33 H A 0017 HIS ND1
H A 0023 GLU OE2 10.41 H A 0017 HIS NE2
H A 0023 GLU OE1 10.33 H A 0022 LYS NZ
H A 0023 GLU OE2 8.476 H A 0022 LYS NZ
H A 0023 GLU OE1 5.551 C A 0026 LYS NZ
H A 0023 GLU OE2 7.652 C A 0026 LYS NZ
H A 0023 GLU OE1 10.22 C A 0027 HIS ND1
H A 0023 GLU OE1 11.51 C A 0027 HIS NE2
H A 0023 GLU OE2 11.15 C A 0027 HIS ND1
H A 0023 GLU OE2 11.36 H A 0031 LYS NZ
H A 0023 GLU OE2 11.46 H A 0032 LYS NZ
H A 0023 GLU OE1 9.800 C A 0064 LYS NZ
H A 0023 GLU OE2 10.85 C A 0064 LYS NZ
C A 0025 ASP OD1 6.270 H A 0017 HIS ND1
C A 0025 ASP OD1 5.152 H A 0017 HIS NE2
C A 0025 ASP OD2 8.283 H A 0017 HIS ND1
C A 0025 ASP OD2 7.169 H A 0017 HIS NE2
C A 0025 ASP OD1 8.755 C A 0026 LYS NZ
C A 0025 ASP OD2 9.094 C A 0026 LYS NZ
C A 0025 ASP OD1 4.944 C A 0027 HIS ND1
C A 0025 ASP OD1 5.450 C A 0027 HIS NE2
C A 0025 ASP OD2 6.409 C A 0027 HIS ND1
C A 0025 ASP OD2 6.171 C A 0027 HIS NE2
H A 0033 GLU OE1 10.08 H A 0017 HIS ND1
H A 0033 GLU OE1 9.724 H A 0017 HIS NE2
H A 0033 GLU OE2 11.84 H A 0017 HIS ND1
H A 0033 GLU OE2 11.49 H A 0017 HIS NE2
H A 0033 GLU OE1 6.251 H A 0022 LYS NZ
H A 0033 GLU OE2 5.066 H A 0022 LYS NZ
H A 0033 GLU OE1 9.645 C A 0026 LYS NZ
H A 0033 GLU OE2 9.746 C A 0026 LYS NZ
H A 0033 GLU OE1 11.18 C A 0027 HIS ND1
H A 0033 GLU OE1 10.45 H A 0032 LYS NZ
H A 0033 GLU OE2 9.249 H A 0032 LYS NZ
H A 0033 GLU OE1 11.29 H A 0040 LYS NZ
H A 0033 GLU OE2 11.30 H A 0040 LYS NZ
H A 0036 GLU OE1 5.115 H A 0022 LYS NZ
H A 0036 GLU OE2 5.877 H A 0022 LYS NZ
H A 0036 GLU OE1 3.353 H A 0032 LYS NZ
H A 0036 GLU OE2 5.361 H A 0032 LYS NZ
H A 0036 GLU OE1 7.704 H A 0035 LYS NZ
H A 0036 GLU OE2 7.328 H A 0035 LYS NZ
H A 0036 GLU OE1 10.07 H A 0040 LYS NZ
H A 0036 GLU OE2 8.838 H A 0040 LYS NZ
H A 0036 GLU OE1 9.549 H A 0047 LYS NZ
H A 0036 GLU OE2 7.727 H A 0047 LYS NZ
H A 0041 GLU OE2 11.69 H A 0017 HIS ND1
H A 0041 GLU OE1 4.176 H A 0018 LYS NZ
H A 0041 GLU OE2 2.908 H A 0018 LYS NZ
H A 0041 GLU OE1 11.72 H A 0022 LYS NZ
H A 0041 GLU OE2 9.756 H A 0022 LYS NZ
H A 0041 GLU OE1 5.702 H A 0040 LYS NZ
H A 0041 GLU OE2 3.703 H A 0040 LYS NZ
H A 0050 ASP OD1 11.24 H A 0032 LYS NZ
H A 0050 ASP OD2 10.01 H A 0032 LYS NZ
H A 0050 ASP OD1 4.701 H A 0035 LYS NZ
H A 0050 ASP OD2 2.833 H A 0035 LYS NZ
H A 0050 ASP OD1 9.388 H A 0047 LYS NZ
H A 0050 ASP OD2 7.289 H A 0047 LYS NZ
H A 0052 GLU OE1 11.19 H A 0035 LYS NZ
H A 0058 ASP OD1 7.361 H A 0031 LYS NZ
H A 0058 ASP OD2 9.393 H A 0031 LYS NZ
H A 0058 ASP OD1 5.107 H A 0055 LYS NZ
H A 0058 ASP OD2 3.020 H A 0055 LYS NZ
H A 0058 ASP OD1 6.398 H A 0062 ARG NH1
H A 0058 ASP OD1 6.804 H A 0062 ARG NH2
H A 0058 ASP OD2 6.018 H A 0062 ARG NH1
H A 0058 ASP OD2 6.527 H A 0062 ARG NH2
H A 0059 ASP OD1 6.335 H A 0055 LYS NZ
H A 0059 ASP OD2 5.106 H A 0055 LYS NZ
H A 0059 ASP OD1 3.441 H A 0062 ARG NH1
H A 0059 ASP OD1 2.829 H A 0062 ARG NH2
H A 0059 ASP OD2 5.394 H A 0062 ARG NH1
H A 0059 ASP OD2 4.774 H A 0062 ARG NH2
H A 0061 ASP OD1 4.912 H A 0031 LYS NZ
H A 0061 ASP OD2 4.881 H A 0031 LYS NZ
H A 0061 ASP OD2 11.40 H A 0035 LYS NZ
H A 0061 ASP OD1 8.935 H A 0055 LYS NZ
H A 0061 ASP OD2 9.237 H A 0055 LYS NZ
H A 0061 ASP OD1 8.196 H A 0062 ARG NH1
H A 0061 ASP OD1 7.817 H A 0062 ARG NH2
H A 0061 ASP OD2 9.614 H A 0062 ARG NH1
H A 0061 ASP OD2 8.899 H A 0062 ARG NH2
H A 0061 ASP OD1 11.31 C A 0064 LYS NZ
C A 0065 ASP OD1 4.487 H A 0031 LYS NZ
C A 0065 ASP OD2 6.564 H A 0031 LYS NZ
C A 0065 ASP OD2 11.38 H A 0062 ARG NH1
C A 0065 ASP OD2 11.98 H A 0062 ARG NH2
C A 0065 ASP OD1 9.735 C A 0064 LYS NZ
C A 0065 ASP OD2 9.149 C A 0064 LYS NZ
E A 0067 GLU OE1 11.18 H A 0017 HIS NE2
E A 0067 GLU OE1 11.48 H A 0022 LYS NZ
E A 0067 GLU OE1 7.812 C A 0026 LYS NZ
E A 0067 GLU OE2 7.648 C A 0026 LYS NZ
E A 0067 GLU OE1 11.33 C A 0027 HIS ND1
E A 0067 GLU OE1 9.646 H A 0031 LYS NZ
E A 0067 GLU OE2 9.530 H A 0031 LYS NZ
E A 0067 GLU OE1 7.773 C A 0064 LYS NZ
E A 0067 GLU OE2 6.587 C A 0064 LYS NZ
H A 0072 GLU OE1 9.305 H A 0062 ARG NH1
H A 0072 GLU OE1 8.115 H A 0062 ARG NH2
H A 0072 GLU OE2 11.51 H A 0062 ARG NH1
H A 0072 GLU OE2 10.21 H A 0062 ARG NH2
H A 0072 GLU OE1 9.737 C A 0064 LYS NZ
H A 0072 GLU OE2 9.660 C A 0064 LYS NZ
H A 0086 GLU OE1 10.62 H A 0089 LYS NZ
H A 0086 GLU OE2 10.18 H A 0089 LYS NZ
CHARGE_REPU 2.00 12.00 88
H A 0017 HIS ND1 11.00 H A 0018 LYS NZ
H A 0017 HIS NE2 10.94 C A 0026 LYS NZ
H A 0017 HIS ND1 4.953 C A 0027 HIS ND1
H A 0017 HIS ND1 6.871 C A 0027 HIS NE2
H A 0017 HIS NE2 2.869 C A 0027 HIS ND1
H A 0017 HIS NE2 4.961 C A 0027 HIS NE2
H A 0018 LYS NZ 10.73 H A 0022 LYS NZ
H A 0018 LYS NZ 4.186 H A 0040 LYS NZ
H A 0022 LYS NZ 7.170 H A 0032 LYS NZ
H A 0022 LYS NZ 11.95 H A 0035 LYS NZ
H A 0022 LYS NZ 7.651 H A 0040 LYS NZ
H A 0023 GLU OE1 10.14 C A 0025 ASP OD1
H A 0023 GLU OE1 11.53 C A 0025 ASP OD2
H A 0023 GLU OE2 11.08 C A 0025 ASP OD1
H A 0023 GLU OE1 4.795 H A 0033 GLU OE1
H A 0023 GLU OE1 5.273 H A 0033 GLU OE2
H A 0023 GLU OE2 2.927 H A 0033 GLU OE1
H A 0023 GLU OE2 3.498 H A 0033 GLU OE2
H A 0023 GLU OE2 11.44 H A 0036 GLU OE1
H A 0023 GLU OE2 11.31 H A 0061 ASP OD2
H A 0023 GLU OE1 3.061 E A 0067 GLU OE1
H A 0023 GLU OE1 4.314 E A 0067 GLU OE2
H A 0023 GLU OE2 3.274 E A 0067 GLU OE1
H A 0023 GLU OE2 5.197 E A 0067 GLU OE2
C A 0025 ASP OD1 10.81 H A 0033 GLU OE1
C A 0025 ASP OD1 11.78 H A 0033 GLU OE2
C A 0026 LYS NZ 9.926 C A 0027 HIS ND1
C A 0026 LYS NZ 10.20 C A 0027 HIS NE2
C A 0026 LYS NZ 11.24 C A 0064 LYS NZ
H A 0031 LYS NZ 11.79 H A 0055 LYS NZ
H A 0032 LYS NZ 8.178 H A 0035 LYS NZ
H A 0032 LYS NZ 11.53 H A 0047 LYS NZ
H A 0033 GLU OE1 9.648 H A 0036 GLU OE1
H A 0033 GLU OE1 10.80 H A 0036 GLU OE2
H A 0033 GLU OE2 8.675 H A 0036 GLU OE1
H A 0033 GLU OE2 10.06 H A 0036 GLU OE2
H A 0033 GLU OE1 11.72 H A 0041 GLU OE2
H A 0033 GLU OE1 11.67 H A 0061 ASP OD2
H A 0033 GLU OE1 5.801 E A 0067 GLU OE1
H A 0033 GLU OE1 7.935 E A 0067 GLU OE2
H A 0033 GLU OE2 6.672 E A 0067 GLU OE1
H A 0033 GLU OE2 8.553 E A 0067 GLU OE2
H A 0035 LYS NZ 6.593 H A 0047 LYS NZ
H A 0036 GLU OE1 11.81 H A 0041 GLU OE2
H A 0036 GLU OE2 11.84 H A 0041 GLU OE1
H A 0036 GLU OE2 10.54 H A 0041 GLU OE2
H A 0036 GLU OE1 11.76 H A 0050 ASP OD1
H A 0036 GLU OE1 10.04 H A 0050 ASP OD2
H A 0036 GLU OE2 11.65 H A 0050 ASP OD1
H A 0036 GLU OE2 9.671 H A 0050 ASP OD2
H A 0050 ASP OD1 10.00 H A 0052 GLU OE1
H A 0050 ASP OD1 10.26 H A 0052 GLU OE2
H A 0050 ASP OD2 10.28 H A 0052 GLU OE1
H A 0050 ASP OD2 10.91 H A 0052 GLU OE2
H A 0052 GLU OE1 11.07 H A 0059 ASP OD2
H A 0052 GLU OE2 11.89 H A 0059 ASP OD2
H A 0055 LYS NZ 7.679 H A 0062 ARG NH1
H A 0055 LYS NZ 8.390 H A 0062 ARG NH2
H A 0058 ASP OD1 6.490 H A 0059 ASP OD1
H A 0058 ASP OD1 6.163 H A 0059 ASP OD2
H A 0058 ASP OD2 5.325 H A 0059 ASP OD1
H A 0058 ASP OD2 4.612 H A 0059 ASP OD2
H A 0058 ASP OD1 4.023 H A 0061 ASP OD1
H A 0058 ASP OD1 5.010 H A 0061 ASP OD2
H A 0058 ASP OD2 6.019 H A 0061 ASP OD1
H A 0058 ASP OD2 6.624 H A 0061 ASP OD2
H A 0058 ASP OD1 8.316 C A 0065 ASP OD1
H A 0058 ASP OD1 8.734 C A 0065 ASP OD2
H A 0058 ASP OD2 10.51 C A 0065 ASP OD1
H A 0058 ASP OD2 10.83 C A 0065 ASP OD2
H A 0059 ASP OD1 8.585 H A 0061 ASP OD1
H A 0059 ASP OD1 9.256 H A 0061 ASP OD2
H A 0059 ASP OD2 8.528 H A 0061 ASP OD1
H A 0059 ASP OD2 8.729 H A 0061 ASP OD2
H A 0059 ASP OD1 10.83 H A 0072 GLU OE1
H A 0061 ASP OD1 6.110 C A 0065 ASP OD1
H A 0061 ASP OD1 6.935 C A 0065 ASP OD2
H A 0061 ASP OD2 7.496 C A 0065 ASP OD1
H A 0061 ASP OD2 8.726 C A 0065 ASP OD2
H A 0061 ASP OD1 10.41 E A 0067 GLU OE1
H A 0061 ASP OD1 10.73 E A 0067 GLU OE2
H A 0061 ASP OD2 10.01 E A 0067 GLU OE1
H A 0061 ASP OD2 10.71 E A 0067 GLU OE2
H A 0061 ASP OD1 11.23 H A 0072 GLU OE1
C A 0065 ASP OD1 10.36 E A 0067 GLU OE1
C A 0065 ASP OD1 9.424 E A 0067 GLU OE2
C A 0065 ASP OD2 11.43 E A 0067 GLU OE1
C A 0065 ASP OD2 10.33 E A 0067 GLU OE2
HB_MM 2.00 3.20 194
H A 0002 ALA N 2.250 C A 0001 MET O
H A 0003 SER N 2.254 H A 0002 ALA O
H A 0004 PRO N 3.103 H A 0002 ALA O
H A 0004 PRO N 2.252 H A 0003 SER O
H A 0005 LEU N 2.818 H A 0002 ALA O
H A 0005 LEU N 2.237 H A 0004 PRO O
H A 0006 ASP N 2.889 H A 0002 ALA O
H A 0006 ASP N 2.258 H A 0005 LEU O
H A 0007 GLN N 2.908 H A 0003 SER O
H A 0007 GLN N 2.247 H A 0006 ASP O
H A 0008 ALA N 2.864 H A 0005 LEU O
H A 0008 ALA N 2.242 H A 0007 GLN O
H A 0009 ILE N 2.862 H A 0005 LEU O
H A 0009 ILE N 2.246 H A 0008 ALA O
H A 0010 GLY N 2.776 H A 0006 ASP O
H A 0010 GLY N 2.249 H A 0009 ILE O
H A 0011 LEU N 2.743 H A 0007 GLN O
H A 0011 LEU N 2.988 H A 0008 ALA O
H A 0011 LEU N 3.069 H A 0009 ILE O
H A 0011 LEU N 2.245 H A 0010 GLY O
H A 0012 LEU N 3.037 H A 0009 ILE O
H A 0012 LEU N 2.248 H A 0011 LEU O
H A 0013 ILE N 2.874 H A 0009 ILE O
H A 0013 ILE N 2.257 H A 0012 LEU O
H A 0014 GLY N 2.758 H A 0010 GLY O
H A 0014 GLY N 2.261 H A 0013 ILE O
H A 0015 ILE N 2.822 H A 0011 LEU O
H A 0015 ILE N 2.252 H A 0014 GLY O
H A 0016 PHE N 2.925 H A 0012 LEU O
H A 0016 PHE N 2.248 H A 0015 ILE O
H A 0017 HIS N 2.866 H A 0013 ILE O
H A 0017 HIS N 3.174 H A 0014 GLY O
H A 0017 HIS N 2.248 H A 0016 PHE O
H A 0018 LYS N 2.784 H A 0014 GLY O
H A 0018 LYS N 2.248 H A 0017 HIS O
H A 0019 TYR N 2.891 H A 0016 PHE O
H A 0019 TYR N 2.252 H A 0018 LYS O
H A 0020 SER N 2.836 H A 0016 PHE O
H A 0020 SER N 2.246 H A 0019 TYR O
H A 0021 GLY N 2.819 H A 0017 HIS O
H A 0021 GLY N 3.196 H A 0019 TYR O
H A 0021 GLY N 2.253 H A 0020 SER O
H A 0022 LYS N 2.895 H A 0019 TYR O
H A 0022 LYS N 2.845 H A 0020 SER O
H A 0022 LYS N 2.250 H A 0021 GLY O
H A 0023 GLU N 2.752 H A 0020 SER O
H A 0023 GLU N 2.252 H A 0022 LYS O
H A 0024 GLY N 2.817 H A 0020 SER O
H A 0024 GLY N 2.243 H A 0023 GLU O
C A 0025 ASP N 2.242 H A 0024 GLY O
C A 0026 LYS N 2.686 H A 0024 GLY O
C A 0026 LYS N 2.252 C A 0025 ASP O
C A 0027 HIS N 2.246 C A 0026 LYS O
E A 0028 THR N 3.195 C A 0026 LYS O
E A 0028 THR N 2.256 C A 0027 HIS O
E A 0029 LEU N 2.252 E A 0028 THR O
E A 0029 LEU N 2.812 E A 0068 VAL O
E A 0030 SER N 2.238 E A 0029 LEU O
H A 0031 LYS N 2.230 E A 0030 SER O
H A 0032 LYS N 2.230 H A 0031 LYS O
H A 0033 GLU N 3.128 E A 0030 SER O
H A 0033 GLU N 2.240 H A 0032 LYS O
H A 0034 LEU N 2.719 E A 0030 SER O
H A 0034 LEU N 3.116 H A 0031 LYS O
H A 0034 LEU N 2.244 H A 0033 GLU O
H A 0035 LYS N 2.903 H A 0031 LYS O
H A 0035 LYS N 3.064 H A 0032 LYS O
H A 0035 LYS N 2.230 H A 0034 LEU O
H A 0036 GLU N 2.800 H A 0032 LYS O
H A 0036 GLU N 3.094 H A 0033 GLU O
H A 0036 GLU N 2.242 H A 0035 LYS O
H A 0037 LEU N 2.781 H A 0033 GLU O
H A 0037 LEU N 2.962 H A 0034 LEU O
H A 0037 LEU N 2.247 H A 0036 GLU O
H A 0038 ILE N 2.825 H A 0034 LEU O
H A 0038 ILE N 3.096 H A 0035 LYS O
H A 0038 ILE N 2.246 H A 0037 LEU O
H A 0039 GLN N 2.809 H A 0035 LYS O
H A 0039 GLN N 2.242 H A 0038 ILE O
H A 0040 LYS N 3.095 H A 0038 ILE O
H A 0040 LYS N 2.251 H A 0039 GLN O
H A 0041 GLU N 2.807 H A 0037 LEU O
H A 0041 GLU N 2.249 H A 0040 LYS O
H A 0042 LEU N 2.725 H A 0038 ILE O
H A 0042 LEU N 2.248 H A 0041 GLU O
C A 0043 THR N 2.246 H A 0042 LEU O
C A 0044 ILE N 2.663 H A 0042 LEU O
C A 0044 ILE N 2.238 C A 0043 THR O
C A 0045 GLY N 3.030 C A 0043 THR O
C A 0045 GLY N 2.240 C A 0044 ILE O
H A 0046 SER N 2.249 C A 0045 GLY O
H A 0047 LYS N 2.761 C A 0045 GLY O
H A 0047 LYS N 2.245 H A 0046 SER O
H A 0048 LEU N 2.884 H A 0046 SER O
H A 0048 LEU N 2.239 H A 0047 LYS O
H A 0049 GLN N 2.892 H A 0046 SER O
H A 0049 GLN N 3.015 H A 0047 LYS O
H A 0049 GLN N 2.245 H A 0048 LEU O
H A 0050 ASP N 2.799 H A 0047 LYS O
H A 0050 ASP N 3.013 H A 0048 LEU O
H A 0050 ASP N 2.236 H A 0049 GLN O
H A 0051 ALA N 3.059 H A 0049 GLN O
H A 0051 ALA N 2.251 H A 0050 ASP O
H A 0052 GLU N 2.718 H A 0049 GLN O
H A 0052 GLU N 2.249 H A 0051 ALA O
H A 0053 ILE N 2.913 H A 0049 GLN O
H A 0053 ILE N 2.964 H A 0050 ASP O
H A 0053 ILE N 2.252 H A 0052 GLU O
H A 0054 VAL N 2.813 H A 0050 ASP O
H A 0054 VAL N 2.235 H A 0053 ILE O
H A 0055 LYS N 2.948 H A 0051 ALA O
H A 0055 LYS N 2.237 H A 0054 VAL O
H A 0056 LEU N 2.807 H A 0052 GLU O
H A 0056 LEU N 2.229 H A 0055 LYS O
H A 0057 MET N 2.727 H A 0053 ILE O
H A 0057 MET N 2.245 H A 0056 LEU O
H A 0058 ASP N 2.825 H A 0054 VAL O
H A 0058 ASP N 3.162 H A 0055 LYS O
H A 0058 ASP N 2.257 H A 0057 MET O
H A 0059 ASP N 2.818 H A 0055 LYS O
H A 0059 ASP N 3.100 H A 0056 LEU O
H A 0059 ASP N 2.231 H A 0058 ASP O
H A 0060 LEU N 2.835 H A 0056 LEU O
H A 0060 LEU N 3.108 H A 0057 MET O
H A 0060 LEU N 2.247 H A 0059 ASP O
H A 0061 ASP N 2.797 H A 0057 MET O
H A 0061 ASP N 2.239 H A 0060 LEU O
H A 0062 ARG N 2.724 H A 0058 ASP O
H A 0062 ARG N 2.245 H A 0061 ASP O
C A 0063 ASN N 2.869 H A 0061 ASP O
C A 0063 ASN N 2.252 H A 0062 ARG O
C A 0064 LYS N 2.825 H A 0061 ASP O
C A 0064 LYS N 2.979 H A 0062 ARG O
C A 0064 LYS N 2.251 C A 0063 ASN O
C A 0065 ASP N 2.651 H A 0061 ASP O
C A 0065 ASP N 2.246 C A 0064 LYS O
C A 0066 GLN N 2.739 C A 0064 LYS O
C A 0066 GLN N 2.232 C A 0065 ASP O
E A 0067 GLU N 2.255 C A 0066 GLN O
E A 0068 VAL N 2.766 E A 0029 LEU O
E A 0068 VAL N 2.254 E A 0067 GLU O
E A 0069 ASN N 2.249 E A 0068 VAL O
H A 0070 PHE N 2.840 C A 0027 HIS O
H A 0070 PHE N 2.256 E A 0069 ASN O
H A 0071 GLN N 2.241 H A 0070 PHE O
H A 0072 GLU N 2.826 E A 0069 ASN O
H A 0072 GLU N 2.257 H A 0071 GLN O
H A 0073 TYR N 2.797 E A 0069 ASN O
H A 0073 TYR N 3.097 H A 0070 PHE O
H A 0073 TYR N 2.247 H A 0072 GLU O
H A 0074 ILE N 2.945 H A 0070 PHE O
H A 0074 ILE N 2.248 H A 0073 TYR O
H A 0075 THR N 2.881 H A 0071 GLN O
H A 0075 THR N 2.240 H A 0074 ILE O
H A 0076 PHE N 2.748 H A 0072 GLU O
H A 0076 PHE N 2.250 H A 0075 THR O
H A 0077 LEU N 2.817 H A 0073 TYR O
H A 0077 LEU N 3.014 H A 0074 ILE O
H A 0077 LEU N 2.233 H A 0076 PHE O
H A 0078 GLY N 2.824 H A 0074 ILE O
H A 0078 GLY N 3.042 H A 0075 THR O
H A 0078 GLY N 3.193 H A 0076 PHE O
H A 0078 GLY N 2.241 H A 0077 LEU O
H A 0079 ALA N 2.958 H A 0075 THR O
H A 0079 ALA N 2.831 H A 0076 PHE O
H A 0079 ALA N 2.245 H A 0078 GLY O
H A 0080 LEU N 2.770 H A 0076 PHE O
H A 0080 LEU N 2.238 H A 0079 ALA O
H A 0081 ALA N 2.781 H A 0077 LEU O
H A 0081 ALA N 2.246 H A 0080 LEU O
H A 0082 MET N 2.836 H A 0078 GLY O
H A 0082 MET N 3.098 H A 0079 ALA O
H A 0082 MET N 2.244 H A 0081 ALA O
H A 0083 ILE N 2.792 H A 0079 ALA O
H A 0083 ILE N 3.198 H A 0080 LEU O
H A 0083 ILE N 2.246 H A 0082 MET O
H A 0084 TYR N 2.843 H A 0080 LEU O
H A 0084 TYR N 2.949 H A 0081 ALA O
H A 0084 TYR N 2.245 H A 0083 ILE O
H A 0085 ASN N 2.899 H A 0082 MET O
H A 0085 ASN N 2.753 H A 0083 ILE O
H A 0085 ASN N 2.246 H A 0084 TYR O
H A 0086 GLU N 2.875 H A 0084 TYR O
H A 0086 GLU N 2.246 H A 0085 ASN O
H A 0087 ALA N 2.771 H A 0084 TYR O
H A 0087 ALA N 3.136 H A 0085 ASN O
H A 0087 ALA N 2.248 H A 0086 GLU O
H A 0088 LEU N 2.780 H A 0085 ASN O
H A 0088 LEU N 2.245 H A 0087 ALA O
H A 0089 LYS N 2.821 H A 0085 ASN O
H A 0089 LYS N 3.184 H A 0086 GLU O
H A 0089 LYS N 2.248 H A 0088 LEU O
H A 0090 GLY N 2.826 H A 0086 GLU O
H A 0090 GLY N 2.249 H A 0089 LYS O
HB_MS 2.00 3.20 18
H A 0003 SER O 2.850 H A 0007 GLN NE2
H A 0012 LEU O 2.767 H A 0073 TYR OH
H A 0013 ILE O 2.841 H A 0017 HIS ND1
H A 0021 GLY N 3.139 H A 0020 SER OG
C A 0026 LYS O 2.751 H A 0020 SER OG
C A 0027 HIS O 3.142 E A 0028 THR OG1
E A 0030 SER N 2.824 H A 0023 GLU OE2
H A 0036 GLU O 2.808 H A 0019 TYR OH
H A 0040 LYS O 2.747 C A 0043 THR OG1
H A 0059 ASP O 2.754 H A 0062 ARG NH2
H A 0060 LEU O 2.825 C A 0063 ASN ND2
H A 0061 ASP O 3.016 C A 0063 ASN ND2
H A 0062 ARG N 2.906 H A 0061 ASP OD1
C A 0065 ASP O 2.929 H A 0031 LYS NZ
C A 0066 GLN N 3.046 C A 0065 ASP OD1
E A 0067 GLU O 2.813 C A 0063 ASN ND2
H A 0071 GLN O 3.033 H A 0075 THR OG1
H A 0083 ILE O 2.877 H A 0085 ASN ND2
HB_SS 2.00 3.20 7
H A 0023 GLU OE2 2.741 E A 0030 SER OG
E A 0028 THR OG1 2.790 E A 0069 ASN OD1
H A 0047 LYS NZ 2.888 H A 0039 GLN OE1
H A 0052 GLU OE1 2.781 H A 0049 GLN NE2
C A 0065 ASP OD1 2.764 C A 0066 GLN NE2
E A 0067 GLU OE1 2.859 E A 0030 SER OG
E A 0069 ASN ND2 2.813 C A 0063 ASN OD1
AROMATIC 0.00 8.00 5
H A 0016 PHE 5.345 H A 0070 PHE
H A 0062 ARG 6.465 H A 0076 PHE
H A 0018 LYS 6.751 H A 0019 TYR
H A 0022 LYS 4.844 H A 0019 TYR
H A 0040 LYS 4.870 H A 0019 TYR
COMMENT BEGIN
#########################################################################
COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "B"
HYDROPHOBIC 2.00 3.80 40
C A 0001 MET C 3.686 H B 0041 GLU C
H A 0002 ALA CB 3.721 H B 0042 LEU CD1
H A 0005 LEU CD1 3.664 H B 0012 LEU CG
H A 0005 LEU CD1 3.533 H B 0012 LEU CD1
H A 0008 ALA CB 3.455 H B 0011 LEU CB
H A 0008 ALA CB 3.673 H B 0011 LEU CG
H A 0008 ALA CB 3.612 H B 0012 LEU CD1
H A 0011 LEU CB 3.517 H B 0008 ALA CB
H A 0011 LEU CG 3.729 H B 0008 ALA CB
H A 0012 LEU CG 3.695 H B 0005 LEU CD1
H A 0012 LEU CD1 3.470 H B 0005 LEU CD1
H A 0012 LEU CD1 3.611 H B 0008 ALA CB
H A 0013 ILE CG1 3.788 H B 0081 ALA CB
H A 0013 ILE CD1 3.472 H B 0081 ALA CB
H A 0013 ILE CG2 3.666 H B 0087 ALA C
H A 0013 ILE CG1 3.361 H B 0088 LEU CD2
H A 0013 ILE CG2 3.616 H B 0088 LEU CD2
H A 0017 HIS CE1 3.649 H B 0088 LEU CB
H A 0017 HIS CE1 3.771 H B 0088 LEU CD2
C A 0027 HIS CG 3.686 H B 0088 LEU CD1
C A 0027 HIS CE1 3.368 H B 0088 LEU CB
C A 0027 HIS CE1 3.695 H B 0088 LEU CD1
H A 0042 LEU CA 3.753 H B 0002 ALA CB
H A 0042 LEU CG 3.759 H B 0002 ALA CB
H A 0042 LEU CD1 3.714 H B 0005 LEU CD2
H A 0070 PHE CZ 3.748 H B 0081 ALA CB
H A 0070 PHE CD2 3.633 H B 0088 LEU CD1
H A 0070 PHE CZ 3.698 H B 0088 LEU CD2
H A 0074 ILE CG2 3.699 H B 0074 ILE CG2
H A 0074 ILE CG1 3.730 H B 0078 GLY CA
H A 0074 ILE CG2 3.548 H B 0078 GLY CA
H A 0078 GLY CA 3.560 H B 0074 ILE CG2
H A 0081 ALA CB 3.715 H B 0013 ILE CD1
H A 0081 ALA CB 3.614 H B 0070 PHE CE2
H A 0081 ALA CB 3.597 H B 0070 PHE CZ
H A 0087 ALA C 3.705 H B 0013 ILE CG2
H A 0088 LEU CB 3.596 H B 0017 HIS CE1
H A 0088 LEU CG 3.514 H B 0017 HIS CE1
H A 0088 LEU CB 3.612 C B 0027 HIS CE1
H A 0088 LEU CD2 3.763 H B 0070 PHE CD2
CHARGE_ATTR 2.00 12.00 7
H A 0017 HIS ND1 11.49 H B 0086 GLU OE1
H A 0017 HIS NE2 11.29 H B 0086 GLU OE1
C A 0025 ASP OD1 5.340 H B 0089 LYS NZ
C A 0025 ASP OD2 4.837 H B 0089 LYS NZ
C A 0027 HIS ND1 10.36 H B 0086 GLU OE1
C A 0027 HIS NE2 9.291 H B 0086 GLU OE1
C A 0027 HIS NE2 11.32 H B 0086 GLU OE2
CHARGE_REPU 2.00 12.00 27
H A 0006 ASP OD1 8.785 H B 0041 GLU OE1
H A 0006 ASP OD1 10.80 H B 0041 GLU OE2
H A 0006 ASP OD2 9.192 H B 0041 GLU OE1
H A 0006 ASP OD2 11.29 H B 0041 GLU OE2
H A 0006 ASP OD1 11.59 H B 0086 GLU OE1
H A 0006 ASP OD1 11.60 H B 0086 GLU OE2
H A 0006 ASP OD2 11.87 H B 0086 GLU OE2
H A 0017 HIS ND1 8.948 H B 0089 LYS NZ
H A 0017 HIS NE2 7.276 H B 0089 LYS NZ
C A 0025 ASP OD1 11.54 H B 0086 GLU OE1
C A 0025 ASP OD2 11.31 H B 0086 GLU OE1
C A 0026 LYS NZ 10.31 H B 0089 LYS NZ
C A 0027 HIS ND1 4.934 H B 0089 LYS NZ
C A 0027 HIS NE2 3.088 H B 0089 LYS NZ
H A 0041 GLU OE1 10.63 H B 0006 ASP OD1
H A 0041 GLU OE1 10.56 H B 0006 ASP OD2
H A 0072 GLU OE1 10.27 H B 0072 GLU OE1
H A 0072 GLU OE1 10.17 H B 0072 GLU OE2
H A 0072 GLU OE2 9.803 H B 0072 GLU OE1
H A 0072 GLU OE2 10.13 H B 0072 GLU OE2
H A 0086 GLU OE1 10.07 H B 0006 ASP OD1
H A 0086 GLU OE1 10.15 H B 0006 ASP OD2
H A 0089 LYS NZ 8.947 H B 0017 HIS ND1
H A 0089 LYS NZ 7.374 H B 0017 HIS NE2
H A 0089 LYS NZ 11.97 C B 0026 LYS NZ
H A 0089 LYS NZ 4.975 C B 0027 HIS ND1
H A 0089 LYS NZ 2.923 C B 0027 HIS NE2
HB_MM 2.00 3.20 4
C A 0001 MET N 3.168 H B 0041 GLU O
H A 0002 ALA N 2.999 H B 0041 GLU O
C A 0043 THR N 2.866 C B 0001 MET O
C A 0043 THR O 2.902 C B 0001 MET N
HB_MS 2.00 3.20 3
H A 0071 GLN NE2 2.831 H B 0075 THR O
H A 0071 GLN OE1 3.151 H B 0079 ALA N
H A 0075 THR O 2.848 H B 0071 GLN NE2
AROMATIC 0.00 8.00 2
H A 0089 LYS 4.176 C B 0027 HIS
H A 0017 HIS 7.988 H B 0089 LYS
COMMENT BEGIN
#########################################################################
COMMENT END
CONTACTS BETWEEN
CHAIN(S) "B"
AND
CHAIN(S) "B"
HYDROPHOBIC 2.00 3.80 361
C B 0001 MET C 2.462 H B 0002 ALA CA
C B 0001 MET C 3.704 H B 0002 ALA C
C B 0001 MET C 3.157 H B 0002 ALA CB
H B 0002 ALA C 2.479 H B 0003 SER CA
H B 0002 ALA C 3.011 H B 0003 SER C
H B 0002 ALA C 3.728 H B 0003 SER CB
H B 0002 ALA C 3.340 H B 0004 PRO CD
H B 0002 ALA C 3.477 H B 0006 ASP CG
H B 0002 ALA CB 3.723 H B 0006 ASP CG
H B 0003 SER CA 3.010 H B 0004 PRO CD
H B 0003 SER C 2.460 H B 0004 PRO CA
H B 0003 SER C 3.032 H B 0004 PRO C
H B 0003 SER C 3.690 H B 0004 PRO CB
H B 0003 SER C 3.663 H B 0004 PRO CG
H B 0003 SER C 2.521 H B 0004 PRO CD
H B 0003 SER CB 3.433 H B 0004 PRO CD
H B 0004 PRO C 2.428 H B 0005 LEU CA
H B 0004 PRO C 3.131 H B 0005 LEU C
H B 0004 PRO C 3.679 H B 0005 LEU CB
H B 0005 LEU C 2.468 H B 0006 ASP CA
H B 0005 LEU C 2.953 H B 0006 ASP C
H B 0005 LEU C 3.758 H B 0006 ASP CB
H B 0006 ASP C 2.427 H B 0007 GLN CA
H B 0006 ASP C 2.997 H B 0007 GLN C
H B 0006 ASP C 3.733 H B 0007 GLN CB
H B 0007 GLN C 2.441 H B 0008 ALA CA
H B 0007 GLN C 3.085 H B 0008 ALA C
H B 0007 GLN C 3.706 H B 0008 ALA CB
H B 0008 ALA C 2.430 H B 0009 ILE CA
H B 0008 ALA C 2.934 H B 0009 ILE C
H B 0008 ALA C 3.757 H B 0009 ILE CB
H B 0009 ILE C 2.482 H B 0010 GLY CA
H B 0009 ILE C 2.990 H B 0010 GLY C
H B 0009 ILE C 3.606 H B 0013 ILE CD1
H B 0010 GLY C 2.457 H B 0011 LEU CA
H B 0010 GLY C 3.002 H B 0011 LEU C
H B 0010 GLY C 3.720 H B 0011 LEU CB
H B 0011 LEU C 2.468 H B 0012 LEU CA
H B 0011 LEU C 2.957 H B 0012 LEU C
H B 0011 LEU C 3.743 H B 0012 LEU CB
H B 0011 LEU CD1 3.767 H B 0015 ILE CG1
H B 0011 LEU CD1 3.231 H B 0015 ILE CD1
H B 0012 LEU C 2.460 H B 0013 ILE CA
H B 0012 LEU C 3.019 H B 0013 ILE C
H B 0012 LEU C 3.726 H B 0013 ILE CB
H B 0012 LEU CD2 3.615 H B 0074 ILE CD1
H B 0012 LEU CD2 3.795 H B 0077 LEU CD1
H B 0013 ILE C 2.465 H B 0014 GLY CA
H B 0013 ILE C 3.026 H B 0014 GLY C
H B 0013 ILE CG1 3.793 H B 0070 PHE CE1
H B 0013 ILE CG1 3.631 H B 0070 PHE CZ
H B 0014 GLY C 2.458 H B 0015 ILE CA
H B 0014 GLY C 2.923 H B 0015 ILE C
H B 0014 GLY C 3.738 H B 0015 ILE CB
H B 0015 ILE C 2.429 H B 0016 PHE CA
H B 0015 ILE C 2.978 H B 0016 PHE C
H B 0015 ILE C 3.706 H B 0016 PHE CB
H B 0015 ILE CG2 3.744 H B 0037 LEU CD1
H B 0016 PHE C 2.438 H B 0017 HIS CA
H B 0016 PHE C 3.098 H B 0017 HIS C
H B 0016 PHE C 3.700 H B 0017 HIS CB
H B 0016 PHE CD1 3.353 H B 0017 HIS CE1
H B 0016 PHE CE1 3.431 C B 0027 HIS C
H B 0016 PHE CZ 3.615 C B 0027 HIS C
H B 0016 PHE CE1 3.791 E B 0028 THR C
H B 0016 PHE CZ 3.616 E B 0028 THR CA
H B 0016 PHE CZ 3.501 E B 0028 THR C
H B 0016 PHE CD2 3.764 E B 0029 LEU CG
H B 0016 PHE CD2 3.329 E B 0029 LEU CD1
H B 0016 PHE CE2 3.489 E B 0029 LEU CG
H B 0016 PHE CE2 3.448 E B 0029 LEU CD1
H B 0016 PHE CZ 3.693 E B 0029 LEU CG
H B 0016 PHE CE2 3.605 H B 0070 PHE CA
H B 0016 PHE CZ 3.462 H B 0070 PHE CA
H B 0016 PHE CZ 3.769 H B 0070 PHE CB
H B 0016 PHE CB 3.729 H B 0073 TYR CE2
H B 0016 PHE CD2 3.451 H B 0073 TYR CG
H B 0016 PHE CD2 3.773 H B 0073 TYR CD1
H B 0016 PHE CD2 3.363 H B 0073 TYR CD2
H B 0016 PHE CD2 3.606 H B 0073 TYR CE2
H B 0016 PHE CE2 3.618 H B 0073 TYR CB
H B 0016 PHE CE2 3.763 H B 0073 TYR CG
H B 0017 HIS C 2.455 H B 0018 LYS CA
H B 0017 HIS C 2.887 H B 0018 LYS C
H B 0017 HIS C 3.728 H B 0018 LYS CB
H B 0018 LYS CA 3.795 H B 0019 TYR CA
H B 0018 LYS C 2.426 H B 0019 TYR CA
H B 0018 LYS C 3.060 H B 0019 TYR C
H B 0018 LYS C 3.706 H B 0019 TYR CB
H B 0019 TYR C 2.452 H B 0020 SER CA
H B 0019 TYR C 2.911 H B 0020 SER C
H B 0019 TYR C 3.729 H B 0020 SER CB
H B 0019 TYR C 3.793 E B 0029 LEU CD2
H B 0019 TYR CB 3.610 E B 0029 LEU CD2
H B 0019 TYR CE2 3.600 H B 0036 GLU C
H B 0019 TYR CG 3.735 H B 0037 LEU CA
H B 0019 TYR CG 3.447 H B 0037 LEU CB
H B 0019 TYR CG 3.796 H B 0037 LEU CG
H B 0019 TYR CD1 3.766 H B 0037 LEU CA
H B 0019 TYR CD1 3.694 H B 0037 LEU CB
H B 0019 TYR CD1 3.628 H B 0037 LEU CG
H B 0019 TYR CD2 3.563 H B 0037 LEU CA
H B 0019 TYR CD2 3.656 H B 0037 LEU CB
H B 0019 TYR CE1 3.685 H B 0037 LEU CA
H B 0019 TYR CE2 3.529 H B 0037 LEU CA
H B 0019 TYR CZ 3.632 H B 0037 LEU CA
H B 0020 SER C 2.487 H B 0021 GLY CA
H B 0020 SER C 2.965 H B 0021 GLY C
H B 0020 SER CA 3.760 E B 0029 LEU CD2
H B 0021 GLY C 2.501 H B 0022 LYS CA
H B 0021 GLY C 2.989 H B 0022 LYS C
H B 0021 GLY C 3.690 H B 0022 LYS CB
H B 0022 LYS C 2.457 C B 0023 GLU CA
H B 0022 LYS C 3.635 C B 0023 GLU C
H B 0022 LYS C 3.292 C B 0023 GLU CB
H B 0022 LYS C 3.753 C B 0023 GLU CG
C B 0023 GLU C 2.490 C B 0024 GLY CA
C B 0023 GLU C 2.996 C B 0024 GLY C
C B 0023 GLU CG 3.533 H B 0033 GLU CD
C B 0024 GLY C 2.468 C B 0025 ASP CA
C B 0024 GLY C 3.247 C B 0025 ASP C
C B 0024 GLY C 3.681 C B 0025 ASP CB
C B 0025 ASP C 2.495 C B 0026 LYS CA
C B 0025 ASP C 3.006 C B 0026 LYS C
C B 0025 ASP C 3.311 C B 0026 LYS CB
C B 0025 ASP C 3.799 C B 0026 LYS CD
C B 0025 ASP CG 3.601 E B 0028 THR C
C B 0026 LYS C 2.490 C B 0027 HIS CA
C B 0026 LYS C 3.544 C B 0027 HIS C
C B 0026 LYS C 3.464 C B 0027 HIS CB
C B 0026 LYS C 3.478 C B 0027 HIS CG
C B 0027 HIS C 2.482 E B 0028 THR CA
C B 0027 HIS C 3.600 E B 0028 THR C
C B 0027 HIS C 3.326 E B 0028 THR CB
C B 0027 HIS C 3.551 E B 0028 THR CG2
E B 0028 THR C 2.464 E B 0029 LEU CA
E B 0028 THR C 3.560 E B 0029 LEU C
E B 0028 THR C 3.445 E B 0029 LEU CB
E B 0028 THR C 3.641 E B 0029 LEU CG
E B 0028 THR CG2 3.601 E B 0067 GLU CD
E B 0029 LEU C 2.422 E B 0030 SER CA
E B 0029 LEU C 3.118 E B 0030 SER C
E B 0029 LEU C 3.653 E B 0030 SER CB
E B 0029 LEU CD2 3.781 H B 0033 GLU CD
E B 0029 LEU CD1 3.639 H B 0037 LEU CD1
E B 0030 SER C 2.454 H B 0031 LYS CA
E B 0030 SER C 3.038 H B 0031 LYS C
E B 0030 SER C 3.718 H B 0031 LYS CB
H B 0031 LYS C 2.433 H B 0032 LYS CA
H B 0031 LYS C 3.193 H B 0032 LYS C
H B 0031 LYS C 3.694 H B 0032 LYS CB
H B 0031 LYS CB 3.767 H B 0061 ASP CB
H B 0031 LYS CB 3.708 H B 0061 ASP CG
H B 0031 LYS CE 3.637 C B 0066 GLN CD
H B 0032 LYS C 2.461 H B 0033 GLU CA
H B 0032 LYS C 2.987 H B 0033 GLU C
H B 0032 LYS C 3.708 H B 0033 GLU CB
H B 0033 GLU C 2.456 H B 0034 LEU CA
H B 0033 GLU C 2.975 H B 0034 LEU C
H B 0033 GLU C 3.734 H B 0034 LEU CB
H B 0034 LEU C 2.415 H B 0035 LYS CA
H B 0034 LEU C 2.885 H B 0035 LYS C
H B 0034 LEU C 3.751 H B 0035 LYS CB
H B 0034 LEU CD1 3.444 H B 0038 ILE CD1
H B 0034 LEU CD1 3.799 H B 0060 LEU CD1
H B 0035 LYS C 2.439 H B 0036 GLU CA
H B 0035 LYS C 2.976 H B 0036 GLU C
H B 0035 LYS C 3.739 H B 0036 GLU CB
H B 0035 LYS CE 3.325 H B 0054 VAL CG1
H B 0036 GLU C 2.464 H B 0037 LEU CA
H B 0036 GLU C 2.931 H B 0037 LEU C
H B 0036 GLU C 3.760 H B 0037 LEU CB
H B 0037 LEU CA 3.795 H B 0038 ILE CA
H B 0037 LEU C 2.423 H B 0038 ILE CA
H B 0037 LEU C 2.991 H B 0038 ILE C
H B 0037 LEU C 3.706 H B 0038 ILE CB
H B 0038 ILE C 2.444 H B 0039 GLN CA
H B 0038 ILE C 2.963 H B 0039 GLN C
H B 0038 ILE C 3.723 H B 0039 GLN CB
H B 0038 ILE CD1 3.066 H B 0056 LEU CD2
H B 0039 GLN C 2.437 H B 0040 LYS CA
H B 0039 GLN C 3.114 H B 0040 LYS C
H B 0039 GLN C 3.704 H B 0040 LYS CB
H B 0039 GLN CD 3.655 C B 0044 ILE CD1
H B 0040 LYS C 2.432 H B 0041 GLU CA
H B 0040 LYS C 3.073 H B 0041 GLU C
H B 0040 LYS C 3.697 H B 0041 GLU CB
H B 0041 GLU C 2.446 H B 0042 LEU CA
H B 0041 GLU C 3.136 H B 0042 LEU C
H B 0041 GLU C 3.701 H B 0042 LEU CB
H B 0042 LEU C 2.464 C B 0043 THR CA
H B 0042 LEU C 3.074 C B 0043 THR C
H B 0042 LEU C 3.711 C B 0043 THR CB
C B 0043 THR C 2.476 C B 0044 ILE CA
C B 0043 THR C 3.021 C B 0044 ILE C
C B 0043 THR C 3.759 C B 0044 ILE CB
C B 0044 ILE C 2.457 C B 0045 GLY CA
C B 0044 ILE C 3.130 C B 0045 GLY C
C B 0044 ILE CG2 3.786 H B 0046 SER C
C B 0045 GLY C 2.472 H B 0046 SER CA
C B 0045 GLY C 3.131 H B 0046 SER C
C B 0045 GLY C 3.706 H B 0046 SER CB
H B 0046 SER C 2.464 H B 0047 LYS CA
H B 0046 SER C 3.083 H B 0047 LYS C
H B 0046 SER C 3.747 H B 0047 LYS CB
H B 0047 LYS C 2.463 H B 0048 LEU CA
H B 0047 LYS C 2.950 H B 0048 LEU C
H B 0047 LYS C 3.731 H B 0048 LEU CB
H B 0048 LEU C 2.449 H B 0049 GLN CA
H B 0048 LEU C 3.141 H B 0049 GLN C
H B 0048 LEU C 3.724 H B 0049 GLN CB
H B 0049 GLN C 2.458 H B 0050 ASP CA
H B 0049 GLN C 2.993 H B 0050 ASP C
H B 0049 GLN C 3.752 H B 0050 ASP CB
H B 0050 ASP C 2.461 H B 0051 ALA CA
H B 0050 ASP C 2.978 H B 0051 ALA C
H B 0050 ASP C 3.719 H B 0051 ALA CB
H B 0051 ALA C 2.442 H B 0052 GLU CA
H B 0051 ALA C 2.996 H B 0052 GLU C
H B 0051 ALA C 3.730 H B 0052 GLU CB
H B 0051 ALA CA 3.782 H B 0054 VAL CG2
H B 0051 ALA C 3.782 H B 0054 VAL CG2
H B 0052 GLU C 2.440 H B 0053 ILE CA
H B 0052 GLU C 2.969 H B 0053 ILE C
H B 0052 GLU C 3.760 H B 0053 ILE CB
H B 0053 ILE C 2.430 H B 0054 VAL CA
H B 0053 ILE C 3.095 H B 0054 VAL C
H B 0053 ILE C 3.749 H B 0054 VAL CB
H B 0054 VAL C 2.429 H B 0055 LYS CA
H B 0054 VAL C 2.957 H B 0055 LYS C
H B 0054 VAL C 3.722 H B 0055 LYS CB
H B 0055 LYS C 2.457 H B 0056 LEU CA
H B 0055 LYS C 2.995 H B 0056 LEU C
H B 0055 LYS C 3.696 H B 0056 LEU CB
H B 0056 LEU C 2.463 H B 0057 MET CA
H B 0056 LEU C 3.030 H B 0057 MET C
H B 0056 LEU C 3.716 H B 0057 MET CB
H B 0056 LEU CD2 3.611 H B 0060 LEU CD1
H B 0056 LEU CG 3.773 H B 0076 PHE CZ
H B 0057 MET C 2.441 H B 0058 ASP CA
H B 0057 MET C 2.921 H B 0058 ASP C
H B 0057 MET C 3.738 H B 0058 ASP CB
H B 0058 ASP C 2.446 H B 0059 ASP CA
H B 0058 ASP C 3.010 H B 0059 ASP C
H B 0058 ASP C 3.739 H B 0059 ASP CB
H B 0059 ASP C 2.459 H B 0060 LEU CA
H B 0059 ASP C 3.068 H B 0060 LEU C
H B 0059 ASP C 3.737 H B 0060 LEU CB
H B 0059 ASP CB 3.780 H B 0076 PHE CE2
H B 0060 LEU C 2.442 H B 0061 ASP CA
H B 0060 LEU C 3.165 H B 0061 ASP C
H B 0060 LEU C 3.711 H B 0061 ASP CB
H B 0060 LEU CD2 3.730 E B 0068 VAL CG1
H B 0060 LEU CG 3.475 H B 0076 PHE CG
H B 0060 LEU CG 3.407 H B 0076 PHE CD1
H B 0060 LEU CG 3.760 H B 0076 PHE CE1
H B 0060 LEU CD1 3.756 H B 0076 PHE CD1
H B 0060 LEU CD1 3.756 H B 0076 PHE CE1
H B 0060 LEU CD2 3.422 H B 0076 PHE CB
H B 0060 LEU CD2 3.355 H B 0076 PHE CG
H B 0060 LEU CD2 3.369 H B 0076 PHE CD1
H B 0061 ASP C 2.461 H B 0062 ARG CA
H B 0061 ASP C 2.962 H B 0062 ARG C
H B 0061 ASP C 3.731 H B 0062 ARG CB
H B 0062 ARG C 2.477 H B 0063 ASN CA
H B 0062 ARG C 3.021 H B 0063 ASN C
H B 0062 ARG C 3.753 H B 0063 ASN CB
H B 0063 ASN C 2.448 C B 0064 LYS CA
H B 0063 ASN C 3.618 C B 0064 LYS C
H B 0063 ASN C 3.270 C B 0064 LYS CB
H B 0063 ASN CB 3.766 H B 0072 GLU CG
C B 0064 LYS C 2.527 C B 0065 ASP CA
C B 0064 LYS C 3.245 C B 0065 ASP C
C B 0064 LYS C 3.255 C B 0065 ASP CB
C B 0064 LYS C 3.247 C B 0065 ASP CG
C B 0064 LYS CG 3.741 E B 0067 GLU CD
C B 0065 ASP C 2.483 C B 0066 GLN CA
C B 0065 ASP C 3.646 C B 0066 GLN C
C B 0065 ASP C 3.379 C B 0066 GLN CB
C B 0065 ASP C 3.444 C B 0066 GLN CG
C B 0066 GLN C 2.445 E B 0067 GLU CA
C B 0066 GLN C 3.632 E B 0067 GLU C
C B 0066 GLN C 3.239 E B 0067 GLU CB
E B 0067 GLU C 2.473 E B 0068 VAL CA
E B 0067 GLU C 3.280 E B 0068 VAL C
E B 0067 GLU C 3.667 E B 0068 VAL CB
E B 0068 VAL C 2.421 E B 0069 ASN CA
E B 0068 VAL C 3.108 E B 0069 ASN C
E B 0068 VAL C 3.689 E B 0069 ASN CB
E B 0068 VAL CG1 3.722 H B 0073 TYR CA
E B 0068 VAL CG1 3.729 H B 0073 TYR CB
E B 0069 ASN C 2.464 H B 0070 PHE CA
E B 0069 ASN C 2.966 H B 0070 PHE C
E B 0069 ASN C 3.703 H B 0070 PHE CB
H B 0070 PHE C 2.420 H B 0071 GLN CA
H B 0070 PHE C 3.037 H B 0071 GLN C
H B 0070 PHE C 3.720 H B 0071 GLN CB
H B 0070 PHE CE1 3.725 H B 0074 ILE CG1
H B 0070 PHE CE1 3.731 H B 0074 ILE CD1
H B 0070 PHE CZ 3.453 H B 0074 ILE CG1
H B 0070 PHE CZ 3.617 H B 0074 ILE CD1
H B 0071 GLN C 2.446 H B 0072 GLU CA
H B 0071 GLN C 3.071 H B 0072 GLU C
H B 0071 GLN C 3.719 H B 0072 GLU CB
H B 0072 GLU C 2.453 H B 0073 TYR CA
H B 0072 GLU C 2.973 H B 0073 TYR C
H B 0072 GLU C 3.722 H B 0073 TYR CB
H B 0073 TYR C 2.448 H B 0074 ILE CA
H B 0073 TYR C 2.967 H B 0074 ILE C
H B 0073 TYR C 3.751 H B 0074 ILE CB
H B 0073 TYR CE1 3.537 H B 0077 LEU CD1
H B 0073 TYR CE2 3.762 H B 0077 LEU CD1
H B 0073 TYR CZ 3.440 H B 0077 LEU CD1
H B 0074 ILE C 2.468 H B 0075 THR CA
H B 0074 ILE C 2.957 H B 0075 THR C
H B 0074 ILE C 3.725 H B 0075 THR CB
H B 0075 THR C 2.441 H B 0076 PHE CA
H B 0075 THR C 3.027 H B 0076 PHE C
H B 0075 THR C 3.723 H B 0076 PHE CB
H B 0076 PHE C 2.427 H B 0077 LEU CA
H B 0076 PHE C 2.951 H B 0077 LEU C
H B 0076 PHE C 3.734 H B 0077 LEU CB
H B 0077 LEU C 2.446 H B 0078 GLY CA
H B 0077 LEU C 3.007 H B 0078 GLY C
H B 0078 GLY C 2.443 H B 0079 ALA CA
H B 0078 GLY C 2.975 H B 0079 ALA C
H B 0078 GLY C 3.731 H B 0079 ALA CB
H B 0079 ALA C 2.464 H B 0080 LEU CA
H B 0079 ALA C 3.028 H B 0080 LEU C
H B 0079 ALA C 3.723 H B 0080 LEU CB
H B 0080 LEU C 2.452 H B 0081 ALA CA
H B 0080 LEU C 3.004 H B 0081 ALA C
H B 0080 LEU C 3.719 H B 0081 ALA CB
H B 0080 LEU CG 3.763 H B 0084 TYR CE2
H B 0080 LEU CG 3.697 H B 0084 TYR CZ
H B 0081 ALA C 2.448 H B 0082 MET CA
H B 0081 ALA C 3.029 H B 0082 MET C
H B 0081 ALA C 3.730 H B 0082 MET CB
H B 0082 MET C 2.455 H B 0083 ILE CA
H B 0082 MET C 2.982 H B 0083 ILE C
H B 0082 MET C 3.746 H B 0083 ILE CB
H B 0083 ILE C 2.462 H B 0084 TYR CA
H B 0083 ILE C 3.130 H B 0084 TYR C
H B 0083 ILE C 3.723 H B 0084 TYR CB
H B 0084 TYR C 2.455 H B 0085 ASN CA
H B 0084 TYR C 3.036 H B 0085 ASN C
H B 0084 TYR C 3.730 H B 0085 ASN CB
H B 0085 ASN C 2.455 H B 0086 GLU CA
H B 0085 ASN C 2.982 H B 0086 GLU C
H B 0085 ASN C 3.752 H B 0086 GLU CB
H B 0086 GLU C 2.457 H B 0087 ALA CA
H B 0086 GLU C 3.037 H B 0087 ALA C
H B 0086 GLU C 3.729 H B 0087 ALA CB
H B 0087 ALA C 2.434 H B 0088 LEU CA
H B 0087 ALA C 3.017 H B 0088 LEU C
H B 0087 ALA C 3.737 H B 0088 LEU CB
H B 0088 LEU C 2.434 H B 0089 LYS CA
H B 0088 LEU C 3.089 H B 0089 LYS C
H B 0088 LEU C 3.704 H B 0089 LYS CB
H B 0089 LYS C 2.454 H B 0090 GLY CA
H B 0089 LYS C 3.719 H B 0090 GLY C
CHARGE_ATTR 2.00 12.00 114
C B 0023 GLU OE1 9.657 H B 0022 LYS NZ
C B 0023 GLU OE2 7.949 H B 0022 LYS NZ
C B 0023 GLU OE1 7.913 C B 0026 LYS NZ
C B 0023 GLU OE2 9.808 C B 0026 LYS NZ
C B 0023 GLU OE1 10.26 H B 0031 LYS NZ
C B 0023 GLU OE2 9.485 H B 0031 LYS NZ
C B 0023 GLU OE2 11.22 H B 0032 LYS NZ
C B 0025 ASP OD1 10.51 H B 0017 HIS ND1
C B 0025 ASP OD1 9.014 H B 0017 HIS NE2
C B 0025 ASP OD2 10.84 H B 0017 HIS ND1
C B 0025 ASP OD2 9.713 H B 0017 HIS NE2
C B 0025 ASP OD2 10.58 H B 0022 LYS NZ
C B 0025 ASP OD1 5.627 C B 0026 LYS NZ
C B 0025 ASP OD2 7.413 C B 0026 LYS NZ
C B 0025 ASP OD1 8.711 C B 0027 HIS ND1
C B 0025 ASP OD1 9.884 C B 0027 HIS NE2
C B 0025 ASP OD2 10.01 C B 0027 HIS ND1
C B 0025 ASP OD2 11.48 C B 0027 HIS NE2
C B 0025 ASP OD2 11.08 H B 0031 LYS NZ
H B 0033 GLU OE1 10.84 H B 0017 HIS ND1
H B 0033 GLU OE1 10.28 H B 0017 HIS NE2
H B 0033 GLU OE2 10.20 H B 0017 HIS ND1
H B 0033 GLU OE2 9.862 H B 0017 HIS NE2
H B 0033 GLU OE1 7.859 H B 0022 LYS NZ
H B 0033 GLU OE2 6.268 H B 0022 LYS NZ
H B 0033 GLU OE1 9.638 C B 0026 LYS NZ
H B 0033 GLU OE2 9.813 C B 0026 LYS NZ
H B 0033 GLU OE1 11.27 C B 0027 HIS ND1
H B 0033 GLU OE2 11.02 C B 0027 HIS ND1
H B 0033 GLU OE1 10.68 H B 0031 LYS NZ
H B 0036 GLU OE1 9.019 H B 0018 LYS NZ
H B 0036 GLU OE2 10.41 H B 0018 LYS NZ
H B 0036 GLU OE1 3.481 H B 0022 LYS NZ
H B 0036 GLU OE2 5.581 H B 0022 LYS NZ
H B 0036 GLU OE2 11.28 H B 0032 LYS NZ
H B 0036 GLU OE1 11.52 H B 0035 LYS NZ
H B 0036 GLU OE2 9.971 H B 0035 LYS NZ
H B 0036 GLU OE1 6.982 H B 0040 LYS NZ
H B 0036 GLU OE2 6.744 H B 0040 LYS NZ
H B 0036 GLU OE1 9.670 H B 0047 LYS NZ
H B 0036 GLU OE2 7.534 H B 0047 LYS NZ
H B 0041 GLU OE2 11.87 H B 0017 HIS ND1
H B 0041 GLU OE1 4.194 H B 0018 LYS NZ
H B 0041 GLU OE2 3.009 H B 0018 LYS NZ
H B 0041 GLU OE1 10.88 H B 0022 LYS NZ
H B 0041 GLU OE2 8.713 H B 0022 LYS NZ
H B 0041 GLU OE1 6.743 H B 0040 LYS NZ
H B 0041 GLU OE2 6.024 H B 0040 LYS NZ
H B 0050 ASP OD2 11.99 H B 0031 LYS NZ
H B 0050 ASP OD1 6.832 H B 0032 LYS NZ
H B 0050 ASP OD2 6.347 H B 0032 LYS NZ
H B 0050 ASP OD1 3.296 H B 0035 LYS NZ
H B 0050 ASP OD2 3.068 H B 0035 LYS NZ
H B 0050 ASP OD1 7.190 H B 0047 LYS NZ
H B 0050 ASP OD2 8.789 H B 0047 LYS NZ
H B 0052 GLU OE1 11.04 H B 0055 LYS NZ
H B 0052 GLU OE2 9.643 H B 0055 LYS NZ
H B 0058 ASP OD1 8.875 H B 0031 LYS NZ
H B 0058 ASP OD2 10.92 H B 0031 LYS NZ
H B 0058 ASP OD1 9.765 H B 0032 LYS NZ
H B 0058 ASP OD2 11.21 H B 0032 LYS NZ
H B 0058 ASP OD1 11.56 H B 0035 LYS NZ
H B 0058 ASP OD1 8.372 H B 0055 LYS NZ
H B 0058 ASP OD2 6.581 H B 0055 LYS NZ
H B 0058 ASP OD1 4.967 H B 0062 ARG NH1
H B 0058 ASP OD1 2.785 H B 0062 ARG NH2
H B 0058 ASP OD2 6.109 H B 0062 ARG NH1
H B 0058 ASP OD2 4.360 H B 0062 ARG NH2
H B 0059 ASP OD1 4.817 H B 0055 LYS NZ
H B 0059 ASP OD2 4.822 H B 0055 LYS NZ
H B 0059 ASP OD1 9.234 H B 0062 ARG NH1
H B 0059 ASP OD1 7.855 H B 0062 ARG NH2
H B 0059 ASP OD2 11.06 H B 0062 ARG NH1
H B 0059 ASP OD2 9.515 H B 0062 ARG NH2
H B 0061 ASP OD1 6.978 H B 0031 LYS NZ
H B 0061 ASP OD2 6.421 H B 0031 LYS NZ
H B 0061 ASP OD1 9.692 H B 0032 LYS NZ
H B 0061 ASP OD2 7.877 H B 0032 LYS NZ
H B 0061 ASP OD2 10.09 H B 0035 LYS NZ
H B 0061 ASP OD2 11.70 H B 0055 LYS NZ
H B 0061 ASP OD1 3.978 H B 0062 ARG NH1
H B 0061 ASP OD1 3.342 H B 0062 ARG NH2
H B 0061 ASP OD2 5.781 H B 0062 ARG NH1
H B 0061 ASP OD2 4.338 H B 0062 ARG NH2
H B 0061 ASP OD1 9.770 C B 0064 LYS NZ
H B 0061 ASP OD2 11.63 C B 0064 LYS NZ
C B 0065 ASP OD1 9.350 H B 0031 LYS NZ
C B 0065 ASP OD2 11.37 H B 0031 LYS NZ
C B 0065 ASP OD1 6.245 H B 0062 ARG NH1
C B 0065 ASP OD1 7.815 H B 0062 ARG NH2
C B 0065 ASP OD2 6.788 H B 0062 ARG NH1
C B 0065 ASP OD2 8.657 H B 0062 ARG NH2
C B 0065 ASP OD1 7.468 C B 0064 LYS NZ
C B 0065 ASP OD2 5.410 C B 0064 LYS NZ
E B 0067 GLU OE1 11.98 H B 0017 HIS ND1
E B 0067 GLU OE1 10.64 H B 0017 HIS NE2
E B 0067 GLU OE2 11.75 H B 0017 HIS NE2
E B 0067 GLU OE1 10.50 C B 0026 LYS NZ
E B 0067 GLU OE2 9.973 C B 0026 LYS NZ
E B 0067 GLU OE1 10.59 C B 0027 HIS ND1
E B 0067 GLU OE1 11.84 C B 0027 HIS NE2
E B 0067 GLU OE2 11.17 C B 0027 HIS ND1
E B 0067 GLU OE1 11.70 H B 0031 LYS NZ
E B 0067 GLU OE1 10.53 H B 0062 ARG NH1
E B 0067 GLU OE1 11.22 H B 0062 ARG NH2
E B 0067 GLU OE2 10.61 H B 0062 ARG NH1
E B 0067 GLU OE2 11.70 H B 0062 ARG NH2
E B 0067 GLU OE1 7.354 C B 0064 LYS NZ
E B 0067 GLU OE2 6.337 C B 0064 LYS NZ
H B 0072 GLU OE1 11.66 H B 0062 ARG NH1
H B 0072 GLU OE1 6.831 C B 0064 LYS NZ
H B 0072 GLU OE2 6.626 C B 0064 LYS NZ
H B 0086 GLU OE1 8.808 H B 0089 LYS NZ
H B 0086 GLU OE2 10.49 H B 0089 LYS NZ
CHARGE_REPU 2.00 12.00 112
H B 0017 HIS ND1 10.90 H B 0018 LYS NZ
H B 0017 HIS NE2 11.65 C B 0026 LYS NZ
H B 0017 HIS ND1 4.942 C B 0027 HIS ND1
H B 0017 HIS ND1 6.876 C B 0027 HIS NE2
H B 0017 HIS NE2 2.843 C B 0027 HIS ND1
H B 0017 HIS NE2 4.945 C B 0027 HIS NE2
H B 0018 LYS NZ 9.144 H B 0022 LYS NZ
H B 0018 LYS NZ 7.608 H B 0040 LYS NZ
H B 0022 LYS NZ 9.516 H B 0040 LYS NZ
C B 0023 GLU OE1 5.638 C B 0025 ASP OD1
C B 0023 GLU OE1 4.485 C B 0025 ASP OD2
C B 0023 GLU OE2 6.544 C B 0025 ASP OD1
C B 0023 GLU OE2 4.760 C B 0025 ASP OD2
C B 0023 GLU OE1 4.476 H B 0033 GLU OE1
C B 0023 GLU OE1 5.055 H B 0033 GLU OE2
C B 0023 GLU OE2 3.390 H B 0033 GLU OE1
C B 0023 GLU OE2 3.996 H B 0033 GLU OE2
C B 0023 GLU OE1 11.99 H B 0036 GLU OE1
C B 0023 GLU OE2 9.952 H B 0036 GLU OE1
C B 0023 GLU OE2 11.10 H B 0036 GLU OE2
C B 0023 GLU OE2 11.84 H B 0061 ASP OD2
C B 0023 GLU OE1 9.841 E B 0067 GLU OE1
C B 0023 GLU OE1 10.50 E B 0067 GLU OE2
C B 0023 GLU OE2 10.02 E B 0067 GLU OE1
C B 0023 GLU OE2 11.09 E B 0067 GLU OE2
C B 0025 ASP OD1 4.949 H B 0033 GLU OE1
C B 0025 ASP OD1 5.955 H B 0033 GLU OE2
C B 0025 ASP OD2 2.904 H B 0033 GLU OE1
C B 0025 ASP OD2 4.415 H B 0033 GLU OE2
C B 0025 ASP OD2 11.15 H B 0061 ASP OD1
C B 0025 ASP OD2 11.23 H B 0061 ASP OD2
C B 0025 ASP OD1 10.81 C B 0065 ASP OD1
C B 0025 ASP OD1 11.19 C B 0065 ASP OD2
C B 0025 ASP OD2 10.67 C B 0065 ASP OD1
C B 0025 ASP OD2 11.35 C B 0065 ASP OD2
C B 0025 ASP OD1 5.836 E B 0067 GLU OE1
C B 0025 ASP OD1 6.356 E B 0067 GLU OE2
C B 0025 ASP OD2 5.938 E B 0067 GLU OE1
C B 0025 ASP OD2 7.000 E B 0067 GLU OE2
C B 0026 LYS NZ 10.21 C B 0027 HIS ND1
C B 0026 LYS NZ 10.29 C B 0027 HIS NE2
H B 0031 LYS NZ 5.737 H B 0032 LYS NZ
H B 0031 LYS NZ 9.302 H B 0035 LYS NZ
H B 0031 LYS NZ 9.207 H B 0062 ARG NH1
H B 0031 LYS NZ 8.167 H B 0062 ARG NH2
H B 0032 LYS NZ 3.592 H B 0035 LYS NZ
H B 0032 LYS NZ 10.65 H B 0062 ARG NH2
H B 0033 GLU OE1 9.729 H B 0036 GLU OE1
H B 0033 GLU OE1 11.06 H B 0036 GLU OE2
H B 0033 GLU OE2 8.695 H B 0036 GLU OE1
H B 0033 GLU OE2 10.36 H B 0036 GLU OE2
H B 0033 GLU OE2 11.74 H B 0041 GLU OE2
H B 0033 GLU OE1 11.55 H B 0061 ASP OD1
H B 0033 GLU OE1 11.06 H B 0061 ASP OD2
H B 0033 GLU OE1 7.895 E B 0067 GLU OE1
H B 0033 GLU OE1 9.389 E B 0067 GLU OE2
H B 0033 GLU OE2 9.742 E B 0067 GLU OE1
H B 0033 GLU OE2 11.20 E B 0067 GLU OE2
H B 0035 LYS NZ 9.482 H B 0047 LYS NZ
H B 0036 GLU OE1 9.505 H B 0041 GLU OE1
H B 0036 GLU OE1 7.603 H B 0041 GLU OE2
H B 0036 GLU OE2 10.12 H B 0041 GLU OE1
H B 0036 GLU OE2 8.533 H B 0041 GLU OE2
H B 0036 GLU OE1 11.65 H B 0050 ASP OD1
H B 0036 GLU OE2 9.797 H B 0050 ASP OD1
H B 0036 GLU OE2 11.52 H B 0050 ASP OD2
H B 0040 LYS NZ 8.736 H B 0047 LYS NZ
H B 0050 ASP OD1 9.697 H B 0052 GLU OE1
H B 0050 ASP OD1 11.25 H B 0052 GLU OE2
H B 0050 ASP OD2 10.17 H B 0052 GLU OE1
H B 0050 ASP OD2 11.45 H B 0052 GLU OE2
H B 0052 GLU OE1 10.99 H B 0059 ASP OD2
H B 0052 GLU OE2 10.28 H B 0059 ASP OD2
H B 0055 LYS NZ 10.88 H B 0062 ARG NH2
H B 0058 ASP OD1 5.972 H B 0059 ASP OD1
H B 0058 ASP OD1 7.450 H B 0059 ASP OD2
H B 0058 ASP OD2 3.851 H B 0059 ASP OD1
H B 0058 ASP OD2 5.567 H B 0059 ASP OD2
H B 0058 ASP OD1 4.928 H B 0061 ASP OD1
H B 0058 ASP OD1 4.644 H B 0061 ASP OD2
H B 0058 ASP OD2 6.210 H B 0061 ASP OD1
H B 0058 ASP OD2 5.875 H B 0061 ASP OD2
H B 0058 ASP OD1 10.49 C B 0065 ASP OD1
H B 0058 ASP OD1 11.33 C B 0065 ASP OD2
H B 0058 ASP OD2 11.87 C B 0065 ASP OD1
H B 0059 ASP OD1 8.821 H B 0061 ASP OD1
H B 0059 ASP OD1 8.215 H B 0061 ASP OD2
H B 0059 ASP OD2 10.00 H B 0061 ASP OD1
H B 0059 ASP OD2 8.989 H B 0061 ASP OD2
H B 0059 ASP OD1 11.62 H B 0072 GLU OE1
H B 0061 ASP OD1 6.523 C B 0065 ASP OD1
H B 0061 ASP OD1 7.437 C B 0065 ASP OD2
H B 0061 ASP OD2 8.499 C B 0065 ASP OD1
H B 0061 ASP OD2 9.535 C B 0065 ASP OD2
H B 0061 ASP OD1 8.194 E B 0067 GLU OE1
H B 0061 ASP OD1 8.994 E B 0067 GLU OE2
H B 0061 ASP OD2 9.124 E B 0067 GLU OE1
H B 0061 ASP OD2 10.32 E B 0067 GLU OE2
H B 0061 ASP OD1 10.93 H B 0072 GLU OE1
H B 0061 ASP OD2 11.82 H B 0072 GLU OE1
H B 0062 ARG NH1 9.287 C B 0064 LYS NZ
H B 0062 ARG NH2 11.04 C B 0064 LYS NZ
C B 0065 ASP OD1 7.351 E B 0067 GLU OE1
C B 0065 ASP OD1 6.392 E B 0067 GLU OE2
C B 0065 ASP OD2 7.038 E B 0067 GLU OE1
C B 0065 ASP OD2 5.742 E B 0067 GLU OE2
C B 0065 ASP OD2 11.04 H B 0072 GLU OE1
C B 0065 ASP OD2 11.33 H B 0072 GLU OE2
E B 0067 GLU OE1 9.174 H B 0072 GLU OE1
E B 0067 GLU OE1 9.054 H B 0072 GLU OE2
E B 0067 GLU OE2 9.785 H B 0072 GLU OE1
E B 0067 GLU OE2 9.415 H B 0072 GLU OE2
HB_MM 2.00 3.20 204
H B 0002 ALA N 2.250 C B 0001 MET O
H B 0003 SER N 2.253 H B 0002 ALA O
H B 0004 PRO N 3.060 H B 0002 ALA O
H B 0004 PRO N 2.258 H B 0003 SER O
H B 0005 LEU N 2.866 H B 0002 ALA O
H B 0005 LEU N 2.244 H B 0004 PRO O
H B 0006 ASP N 2.825 H B 0002 ALA O
H B 0006 ASP N 2.258 H B 0005 LEU O
H B 0007 GLN N 2.915 H B 0003 SER O
H B 0007 GLN N 2.248 H B 0006 ASP O
H B 0008 ALA N 2.835 H B 0005 LEU O
H B 0008 ALA N 2.241 H B 0007 GLN O
H B 0009 ILE N 2.863 H B 0005 LEU O
H B 0009 ILE N 2.245 H B 0008 ALA O
H B 0010 GLY N 2.749 H B 0006 ASP O
H B 0010 GLY N 2.254 H B 0009 ILE O
H B 0011 LEU N 2.773 H B 0007 GLN O
H B 0011 LEU N 2.915 H B 0008 ALA O
H B 0011 LEU N 2.240 H B 0010 GLY O
H B 0012 LEU N 3.167 H B 0009 ILE O
H B 0012 LEU N 2.248 H B 0011 LEU O
H B 0013 ILE N 2.861 H B 0009 ILE O
H B 0013 ILE N 2.257 H B 0012 LEU O
H B 0014 GLY N 2.736 H B 0010 GLY O
H B 0014 GLY N 3.047 H B 0011 LEU O
H B 0014 GLY N 2.253 H B 0013 ILE O
H B 0015 ILE N 2.818 H B 0011 LEU O
H B 0015 ILE N 2.253 H B 0014 GLY O
H B 0016 PHE N 2.890 H B 0012 LEU O
H B 0016 PHE N 2.250 H B 0015 ILE O
H B 0017 HIS N 2.831 H B 0013 ILE O
H B 0017 HIS N 2.239 H B 0016 PHE O
H B 0018 LYS N 2.787 H B 0014 GLY O
H B 0018 LYS N 2.259 H B 0017 HIS O
H B 0019 TYR N 3.130 H B 0015 ILE O
H B 0019 TYR N 2.933 H B 0016 PHE O
H B 0019 TYR N 2.255 H B 0018 LYS O
H B 0020 SER N 2.793 H B 0016 PHE O
H B 0020 SER N 2.241 H B 0019 TYR O
H B 0021 GLY N 2.869 H B 0017 HIS O
H B 0021 GLY N 3.013 H B 0019 TYR O
H B 0021 GLY N 2.261 H B 0020 SER O
H B 0022 LYS N 2.764 H B 0019 TYR O
H B 0022 LYS N 3.048 H B 0020 SER O
H B 0022 LYS N 2.264 H B 0021 GLY O
C B 0023 GLU N 3.012 H B 0020 SER O
C B 0023 GLU N 2.888 H B 0021 GLY O
C B 0023 GLU N 2.253 H B 0022 LYS O
C B 0024 GLY N 2.855 H B 0020 SER O
C B 0024 GLY N 2.914 H B 0021 GLY O
C B 0024 GLY N 2.255 C B 0023 GLU O
C B 0025 ASP N 2.796 H B 0020 SER O
C B 0025 ASP N 3.015 C B 0023 GLU O
C B 0025 ASP N 2.246 C B 0024 GLY O
C B 0026 LYS N 2.797 C B 0024 GLY O
C B 0026 LYS N 2.243 C B 0025 ASP O
C B 0027 HIS N 3.015 C B 0025 ASP O
C B 0027 HIS N 2.253 C B 0026 LYS O
E B 0028 THR N 2.816 C B 0025 ASP O
E B 0028 THR N 2.257 C B 0027 HIS O
E B 0029 LEU N 2.243 E B 0028 THR O
E B 0029 LEU N 2.767 E B 0068 VAL O
E B 0030 SER N 2.227 E B 0029 LEU O
H B 0031 LYS N 2.237 E B 0030 SER O
H B 0031 LYS N 3.084 C B 0066 GLN O
H B 0032 LYS N 3.153 E B 0030 SER O
H B 0032 LYS N 2.235 H B 0031 LYS O
H B 0033 GLU N 2.960 E B 0030 SER O
H B 0033 GLU N 2.241 H B 0032 LYS O
H B 0034 LEU N 2.818 E B 0030 SER O
H B 0034 LEU N 2.253 H B 0033 GLU O
H B 0035 LYS N 3.008 H B 0032 LYS O
H B 0035 LYS N 2.237 H B 0034 LEU O
H B 0036 GLU N 2.876 H B 0032 LYS O
H B 0036 GLU N 3.056 H B 0033 GLU O
H B 0036 GLU N 2.245 H B 0035 LYS O
H B 0037 LEU N 2.838 H B 0033 GLU O
H B 0037 LEU N 2.988 H B 0034 LEU O
H B 0037 LEU N 2.252 H B 0036 GLU O
H B 0038 ILE N 2.884 H B 0034 LEU O
H B 0038 ILE N 3.027 H B 0035 LYS O
H B 0038 ILE N 2.244 H B 0037 LEU O
H B 0039 GLN N 2.797 H B 0035 LYS O
H B 0039 GLN N 2.238 H B 0038 ILE O
H B 0040 LYS N 2.886 H B 0036 GLU O
H B 0040 LYS N 3.197 H B 0038 ILE O
H B 0040 LYS N 2.251 H B 0039 GLN O
H B 0041 GLU N 2.822 H B 0037 LEU O
H B 0041 GLU N 2.245 H B 0040 LYS O
H B 0042 LEU N 2.678 H B 0038 ILE O
H B 0042 LEU N 2.231 H B 0041 GLU O
C B 0043 THR N 2.881 H B 0041 GLU O
C B 0043 THR N 2.248 H B 0042 LEU O
C B 0044 ILE N 2.678 H B 0042 LEU O
C B 0044 ILE N 2.254 C B 0043 THR O
C B 0045 GLY N 2.247 C B 0044 ILE O
H B 0046 SER N 2.770 C B 0044 ILE O
H B 0046 SER N 2.247 C B 0045 GLY O
H B 0047 LYS N 2.742 C B 0045 GLY O
H B 0047 LYS N 2.244 H B 0046 SER O
H B 0048 LEU N 2.845 H B 0046 SER O
H B 0048 LEU N 2.241 H B 0047 LYS O
H B 0049 GLN N 2.949 H B 0046 SER O
H B 0049 GLN N 3.085 H B 0047 LYS O
H B 0049 GLN N 2.246 H B 0048 LEU O
H B 0050 ASP N 2.815 H B 0047 LYS O
H B 0050 ASP N 3.067 H B 0048 LEU O
H B 0050 ASP N 2.243 H B 0049 GLN O
H B 0051 ALA N 2.993 H B 0049 GLN O
H B 0051 ALA N 2.244 H B 0050 ASP O
H B 0052 GLU N 2.742 H B 0049 GLN O
H B 0052 GLU N 2.246 H B 0051 ALA O
H B 0053 ILE N 3.059 H B 0049 GLN O
H B 0053 ILE N 3.020 H B 0050 ASP O
H B 0053 ILE N 2.255 H B 0052 GLU O
H B 0054 VAL N 2.754 H B 0050 ASP O
H B 0054 VAL N 2.237 H B 0053 ILE O
H B 0055 LYS N 3.065 H B 0051 ALA O
H B 0055 LYS N 3.149 H B 0052 GLU O
H B 0055 LYS N 2.242 H B 0054 VAL O
H B 0056 LEU N 2.841 H B 0052 GLU O
H B 0056 LEU N 2.242 H B 0055 LYS O
H B 0057 MET N 2.738 H B 0053 ILE O
H B 0057 MET N 2.240 H B 0056 LEU O
H B 0058 ASP N 2.800 H B 0054 VAL O
H B 0058 ASP N 3.141 H B 0055 LYS O
H B 0058 ASP N 2.255 H B 0057 MET O
H B 0059 ASP N 2.872 H B 0055 LYS O
H B 0059 ASP N 3.098 H B 0056 LEU O
H B 0059 ASP N 2.246 H B 0058 ASP O
H B 0060 LEU N 2.815 H B 0056 LEU O
H B 0060 LEU N 3.173 H B 0057 MET O
H B 0060 LEU N 2.248 H B 0059 ASP O
H B 0061 ASP N 2.809 H B 0057 MET O
H B 0061 ASP N 3.144 H B 0058 ASP O
H B 0061 ASP N 2.239 H B 0060 LEU O
H B 0062 ARG N 2.756 H B 0058 ASP O
H B 0062 ARG N 2.249 H B 0061 ASP O
H B 0063 ASN N 3.064 H B 0061 ASP O
H B 0063 ASN N 2.266 H B 0062 ARG O
C B 0064 LYS N 2.858 H B 0061 ASP O
C B 0064 LYS N 2.942 H B 0062 ARG O
C B 0064 LYS N 2.249 H B 0063 ASN O
C B 0065 ASP N 3.055 H B 0061 ASP O
C B 0065 ASP N 2.961 H B 0062 ARG O
C B 0065 ASP N 2.266 C B 0064 LYS O
C B 0066 GLN N 2.675 C B 0064 LYS O
C B 0066 GLN N 2.239 C B 0065 ASP O
E B 0067 GLU N 2.988 C B 0064 LYS O
E B 0067 GLU N 2.250 C B 0066 GLN O
E B 0068 VAL N 2.728 E B 0029 LEU O
E B 0068 VAL N 2.248 E B 0067 GLU O
E B 0069 ASN N 2.241 E B 0068 VAL O
H B 0070 PHE N 2.982 C B 0027 HIS O
H B 0070 PHE N 2.256 E B 0069 ASN O
H B 0071 GLN N 3.148 E B 0069 ASN O
H B 0071 GLN N 2.235 H B 0070 PHE O
H B 0072 GLU N 2.828 E B 0069 ASN O
H B 0072 GLU N 2.248 H B 0071 GLN O
H B 0073 TYR N 2.825 E B 0069 ASN O
H B 0073 TYR N 3.156 H B 0070 PHE O
H B 0073 TYR N 2.246 H B 0072 GLU O
H B 0074 ILE N 2.900 H B 0070 PHE O
H B 0074 ILE N 2.250 H B 0073 TYR O
H B 0075 THR N 2.824 H B 0071 GLN O
H B 0075 THR N 2.248 H B 0074 ILE O
H B 0076 PHE N 2.783 H B 0072 GLU O
H B 0076 PHE N 2.253 H B 0075 THR O
H B 0077 LEU N 2.812 H B 0073 TYR O
H B 0077 LEU N 3.026 H B 0074 ILE O
H B 0077 LEU N 2.230 H B 0076 PHE O
H B 0078 GLY N 2.876 H B 0074 ILE O
H B 0078 GLY N 2.891 H B 0075 THR O
H B 0078 GLY N 2.241 H B 0077 LEU O
H B 0079 ALA N 2.888 H B 0075 THR O
H B 0079 ALA N 2.904 H B 0076 PHE O
H B 0079 ALA N 2.240 H B 0078 GLY O
H B 0080 LEU N 2.730 H B 0076 PHE O
H B 0080 LEU N 2.237 H B 0079 ALA O
H B 0081 ALA N 2.791 H B 0077 LEU O
H B 0081 ALA N 3.078 H B 0078 GLY O
H B 0081 ALA N 2.246 H B 0080 LEU O
H B 0082 MET N 2.845 H B 0078 GLY O
H B 0082 MET N 3.107 H B 0079 ALA O
H B 0082 MET N 2.244 H B 0081 ALA O
H B 0083 ILE N 2.788 H B 0079 ALA O
H B 0083 ILE N 3.141 H B 0080 LEU O
H B 0083 ILE N 2.249 H B 0082 MET O
H B 0084 TYR N 2.805 H B 0080 LEU O
H B 0084 TYR N 3.146 H B 0081 ALA O
H B 0084 TYR N 2.244 H B 0083 ILE O
H B 0085 ASN N 3.094 H B 0082 MET O
H B 0085 ASN N 2.774 H B 0083 ILE O
H B 0085 ASN N 2.236 H B 0084 TYR O
H B 0086 GLU N 3.006 H B 0084 TYR O
H B 0086 GLU N 2.251 H B 0085 ASN O
H B 0087 ALA N 2.746 H B 0084 TYR O
H B 0087 ALA N 2.242 H B 0086 GLU O
H B 0088 LEU N 2.867 H B 0085 ASN O
H B 0088 LEU N 2.250 H B 0087 ALA O
H B 0089 LYS N 2.899 H B 0085 ASN O
H B 0089 LYS N 2.247 H B 0088 LEU O
H B 0090 GLY N 2.765 H B 0086 GLU O
H B 0090 GLY N 2.244 H B 0089 LYS O
HB_MS 2.00 3.20 20
H B 0012 LEU O 2.772 H B 0073 TYR OH
H B 0013 ILE O 2.811 H B 0017 HIS ND1
C B 0025 ASP O 2.684 E B 0028 THR OG1
C B 0026 LYS O 3.094 C B 0027 HIS ND1
E B 0028 THR O 2.834 H B 0020 SER OG
E B 0030 SER N 2.960 C B 0025 ASP OD2
E B 0030 SER N 2.785 H B 0033 GLU OE1
H B 0059 ASP O 2.730 H B 0063 ASN ND2
H B 0060 LEU O 2.764 H B 0063 ASN ND2
H B 0062 ARG N 3.182 H B 0061 ASP OD1
H B 0063 ASN O 2.815 C B 0064 LYS NZ
C B 0065 ASP O 2.704 H B 0062 ARG NH1
C B 0065 ASP O 2.799 C B 0066 GLN NE2
C B 0066 GLN N 2.907 C B 0065 ASP OD1
E B 0068 VAL N 3.107 E B 0067 GLU OE1
E B 0069 ASN N 3.167 E B 0067 GLU OE1
H B 0070 PHE N 3.038 E B 0069 ASN OD1
H B 0071 GLN N 2.858 E B 0069 ASN OD1
H B 0071 GLN O 2.773 H B 0075 THR OG1
H B 0085 ASN N 3.028 H B 0086 GLU OE1
HB_SS 2.00 3.20 6
C B 0025 ASP OD1 2.676 E B 0028 THR OG1
C B 0025 ASP OD2 2.825 E B 0030 SER OG
H B 0036 GLU OE1 2.734 H B 0019 TYR OH
H B 0047 LYS NZ 2.865 H B 0039 GLN OE1
H B 0052 GLU OE1 2.761 H B 0049 GLN NE2
H B 0089 LYS NZ 2.793 H B 0085 ASN OD1
AROMATIC 0.00 8.00 3
H B 0016 PHE 5.334 H B 0070 PHE
H B 0018 LYS 6.388 H B 0019 TYR
H B 0022 LYS 4.346 H B 0019 TYR