Complet list of 1tlh con file
Complete list of 1tlh.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 294
C A 0002 ASN CA 3.791 C A 0003 LYS CA
C A 0002 ASN C 2.412 C A 0003 LYS CA
C A 0002 ASN C 3.268 C A 0003 LYS C
C A 0002 ASN C 3.660 C A 0003 LYS CB
C A 0003 LYS C 2.474 H A 0004 ASN CA
C A 0003 LYS C 3.108 H A 0004 ASN C
C A 0003 LYS C 3.794 H A 0004 ASN CB
H A 0004 ASN C 2.467 H A 0005 ILE CA
H A 0004 ASN C 3.140 H A 0005 ILE C
H A 0004 ASN C 3.749 H A 0005 ILE CB
H A 0005 ILE C 2.485 H A 0006 ASP CA
H A 0005 ILE C 3.053 H A 0006 ASP C
H A 0005 ILE C 3.795 H A 0006 ASP CB
H A 0006 ASP C 2.484 H A 0007 THR CA
H A 0006 ASP C 3.113 H A 0007 THR C
H A 0006 ASP C 3.762 H A 0007 THR CB
H A 0007 THR C 2.484 H A 0008 VAL CA
H A 0007 THR C 3.022 H A 0008 VAL C
H A 0007 THR CB 3.743 H A 0057 ILE CD1
H A 0008 VAL C 2.491 H A 0009 ARG CA
H A 0008 VAL C 3.071 H A 0009 ARG C
H A 0008 VAL C 3.765 H A 0009 ARG CB
H A 0008 VAL CG2 3.750 H A 0057 ILE CG1
H A 0008 VAL CG1 3.705 H A 0069 LEU CD1
H A 0009 ARG C 2.494 H A 0010 GLU CA
H A 0009 ARG C 3.074 H A 0010 GLU C
H A 0009 ARG C 3.757 H A 0010 GLU CB
H A 0010 GLU C 2.522 H A 0011 ILE CA
H A 0010 GLU C 3.099 H A 0011 ILE C
H A 0010 GLU C 3.782 H A 0011 ILE CB
H A 0011 ILE C 2.468 H A 0012 ILE CA
H A 0011 ILE C 3.099 H A 0012 ILE C
H A 0011 ILE C 3.785 H A 0012 ILE CB
H A 0011 ILE CD1 3.506 C A 0049 LEU CD2
H A 0012 ILE C 2.483 H A 0013 THR CA
H A 0012 ILE C 3.076 H A 0013 THR C
H A 0012 ILE C 3.782 H A 0013 THR CB
H A 0012 ILE CD1 3.777 H A 0077 PHE CD1
H A 0013 THR C 2.493 H A 0014 VAL CA
H A 0013 THR C 3.165 H A 0014 VAL C
H A 0013 THR C 3.736 H A 0014 VAL CB
H A 0014 VAL C 2.444 H A 0015 ALA CA
H A 0014 VAL C 3.215 H A 0015 ALA C
H A 0014 VAL C 3.707 H A 0015 ALA CB
H A 0015 ALA C 2.474 H A 0016 SER CA
H A 0015 ALA C 3.088 H A 0016 SER C
H A 0015 ALA C 3.800 H A 0016 SER CB
H A 0015 ALA CB 3.642 H A 0080 VAL CG2
H A 0016 SER CA 3.791 H A 0017 ILE CA
H A 0016 SER C 2.547 H A 0017 ILE CA
H A 0016 SER C 3.060 H A 0017 ILE C
H A 0016 SER C 3.712 H A 0017 ILE CB
H A 0017 ILE C 2.493 H A 0018 LEU CA
H A 0017 ILE C 3.049 H A 0018 LEU C
H A 0017 ILE C 3.796 H A 0018 LEU CB
H A 0018 LEU C 2.538 H A 0019 ILE CA
H A 0018 LEU C 3.113 H A 0019 ILE C
H A 0018 LEU C 3.789 H A 0019 ILE CB
H A 0018 LEU CD1 3.790 H A 0033 PHE CD1
H A 0018 LEU CD1 3.669 H A 0033 PHE CE1
H A 0019 ILE C 2.460 H A 0020 LYS CA
H A 0019 ILE C 3.409 H A 0020 LYS C
H A 0019 ILE C 3.636 H A 0020 LYS CB
H A 0020 LYS C 2.460 C A 0021 PHE CA
H A 0020 LYS C 3.177 C A 0021 PHE C
H A 0020 LYS C 3.772 C A 0021 PHE CB
C A 0021 PHE C 2.461 C A 0022 SER CA
C A 0021 PHE C 3.378 C A 0022 SER C
C A 0021 PHE C 3.653 C A 0022 SER CB
C A 0022 SER C 2.484 C A 0023 ARG CA
C A 0022 SER C 3.259 C A 0023 ARG C
C A 0022 SER C 3.196 C A 0023 ARG CB
C A 0022 SER C 3.569 C A 0023 ARG CG
C A 0022 SER CB 3.781 H A 0026 ILE CD1
C A 0023 ARG CA 3.793 H A 0024 GLU CA
C A 0023 ARG C 2.435 H A 0024 GLU CA
C A 0023 ARG C 3.189 H A 0024 GLU C
C A 0023 ARG C 3.728 H A 0024 GLU CB
H A 0024 GLU C 2.504 H A 0025 ASP CA
H A 0024 GLU C 3.090 H A 0025 ASP C
H A 0024 GLU C 3.764 H A 0025 ASP CB
H A 0025 ASP C 2.470 H A 0026 ILE CA
H A 0025 ASP C 3.309 H A 0026 ILE C
H A 0025 ASP C 3.671 H A 0026 ILE CB
H A 0026 ILE C 2.513 H A 0027 VAL CA
H A 0026 ILE C 3.091 H A 0027 VAL C
H A 0026 ILE C 3.753 H A 0027 VAL CB
H A 0026 ILE CD1 3.742 H A 0036 PHE CE2
H A 0026 ILE CD1 3.596 H A 0036 PHE CZ
H A 0027 VAL C 2.513 H A 0028 GLU CA
H A 0027 VAL C 3.036 H A 0028 GLU C
H A 0027 VAL C 3.743 H A 0028 GLU CB
H A 0027 VAL CG1 3.535 H A 0083 TYR CD2
H A 0028 GLU CA 3.780 C A 0029 ASN CA
H A 0028 GLU C 2.449 C A 0029 ASN CA
H A 0028 GLU C 3.050 C A 0029 ASN C
C A 0029 ASN C 2.519 H A 0030 ARG CA
C A 0029 ASN C 3.068 H A 0030 ARG C
C A 0029 ASN C 3.761 H A 0030 ARG CB
H A 0030 ARG C 2.454 H A 0031 ALA CA
H A 0030 ARG C 3.120 H A 0031 ALA C
H A 0030 ARG C 3.699 H A 0031 ALA CB
H A 0031 ALA C 2.514 H A 0032 ASN CA
H A 0031 ALA C 3.086 H A 0032 ASN C
H A 0031 ALA C 3.770 H A 0032 ASN CB
H A 0032 ASN C 2.476 H A 0033 PHE CA
H A 0032 ASN C 3.044 H A 0033 PHE C
H A 0032 ASN C 3.741 H A 0033 PHE CB
H A 0033 PHE C 2.451 H A 0034 ILE CA
H A 0033 PHE C 3.108 H A 0034 ILE C
H A 0033 PHE C 3.736 H A 0034 ILE CB
H A 0033 PHE CE2 3.786 H A 0054 PHE CZ
H A 0034 ILE C 2.500 H A 0035 ALA CA
H A 0034 ILE C 3.148 H A 0035 ALA C
H A 0034 ILE C 3.764 H A 0035 ALA CB
H A 0034 ILE CD1 3.485 H A 0051 GLN CG
H A 0034 ILE CG1 3.794 H A 0054 PHE CD2
H A 0034 ILE CG1 3.767 H A 0054 PHE CE2
H A 0034 ILE CD1 3.586 H A 0054 PHE CD2
H A 0035 ALA C 2.486 H A 0036 PHE CA
H A 0035 ALA C 3.128 H A 0036 PHE C
H A 0035 ALA C 3.769 H A 0036 PHE CB
H A 0036 PHE C 2.459 H A 0037 LEU CA
H A 0036 PHE C 3.115 H A 0037 LEU C
H A 0036 PHE C 3.761 H A 0037 LEU CB
H A 0037 LEU C 2.448 H A 0038 ASN CA
H A 0037 LEU C 3.158 H A 0038 ASN C
H A 0037 LEU C 3.740 H A 0038 ASN CB
H A 0038 ASN C 2.532 H A 0039 GLU CA
H A 0038 ASN C 3.055 H A 0039 GLU C
H A 0038 ASN CG 3.790 C A 0049 LEU CD1
H A 0039 GLU C 2.496 C A 0040 ILE CA
H A 0039 GLU C 3.354 C A 0040 ILE C
H A 0039 GLU C 3.689 C A 0040 ILE CB
C A 0040 ILE C 2.446 C A 0041 GLY CA
C A 0040 ILE C 3.186 C A 0041 GLY C
C A 0041 GLY C 2.458 C A 0042 VAL CA
C A 0041 GLY C 3.115 C A 0042 VAL C
C A 0041 GLY C 3.757 C A 0042 VAL CB
C A 0042 VAL C 2.502 C A 0043 THR CA
C A 0042 VAL C 3.443 C A 0043 THR C
C A 0042 VAL C 3.545 C A 0043 THR CB
C A 0043 THR C 2.453 C A 0044 HIS CA
C A 0043 THR C 3.599 C A 0044 HIS C
C A 0043 THR C 3.284 C A 0044 HIS CB
C A 0043 THR CG2 3.445 C A 0046 GLY C
C A 0043 THR CG2 3.641 C A 0047 ARG C
C A 0044 HIS C 2.513 C A 0045 GLU CA
C A 0044 HIS C 3.105 C A 0045 GLU C
C A 0044 HIS C 3.251 C A 0045 GLU CB
C A 0044 HIS CG 3.785 H A 0057 ILE CD1
C A 0044 HIS CE1 3.756 H A 0057 ILE CD1
C A 0045 GLU C 2.509 C A 0046 GLY CA
C A 0045 GLU C 3.384 C A 0046 GLY C
C A 0046 GLY C 2.465 C A 0047 ARG CA
C A 0046 GLY C 3.416 C A 0047 ARG C
C A 0046 GLY C 3.598 C A 0047 ARG CB
C A 0046 GLY C 3.764 C A 0047 ARG CG
C A 0047 ARG C 2.462 C A 0048 LYS CA
C A 0047 ARG C 3.172 C A 0048 LYS C
C A 0047 ARG C 3.721 C A 0048 LYS CB
C A 0048 LYS C 2.426 C A 0049 LEU CA
C A 0048 LYS C 3.226 C A 0049 LEU C
C A 0048 LYS C 3.711 C A 0049 LEU CB
C A 0049 LEU C 2.483 C A 0050 ASN CA
C A 0049 LEU C 3.152 C A 0050 ASN C
C A 0049 LEU C 3.755 C A 0050 ASN CB
C A 0050 ASN C 2.492 H A 0051 GLN CA
C A 0050 ASN C 3.165 H A 0051 GLN C
C A 0050 ASN C 3.741 H A 0051 GLN CB
H A 0051 GLN C 2.488 H A 0052 ASN CA
H A 0051 GLN C 3.062 H A 0052 ASN C
H A 0051 GLN C 3.771 H A 0052 ASN CB
H A 0052 ASN C 2.499 H A 0053 SER CA
H A 0052 ASN C 3.215 H A 0053 SER C
H A 0052 ASN C 3.758 H A 0053 SER CB
H A 0053 SER C 2.496 H A 0054 PHE CA
H A 0053 SER C 3.103 H A 0054 PHE C
H A 0053 SER C 3.768 H A 0054 PHE CB
H A 0054 PHE C 2.451 H A 0055 ARG CA
H A 0054 PHE C 3.183 H A 0055 ARG C
H A 0054 PHE C 3.717 H A 0055 ARG CB
H A 0055 ARG C 2.464 H A 0056 LYS CA
H A 0055 ARG C 3.130 H A 0056 LYS C
H A 0055 ARG C 3.776 H A 0056 LYS CB
H A 0056 LYS C 2.434 H A 0057 ILE CA
H A 0056 LYS C 3.182 H A 0057 ILE C
H A 0056 LYS C 3.667 H A 0057 ILE CB
H A 0057 ILE C 2.525 H A 0058 VAL CA
H A 0057 ILE C 3.346 H A 0058 VAL C
H A 0057 ILE C 3.701 H A 0058 VAL CB
H A 0058 VAL C 2.506 H A 0059 SER CA
H A 0058 VAL C 3.232 H A 0059 SER C
H A 0058 VAL C 3.761 H A 0059 SER CB
H A 0059 SER C 2.467 C A 0060 GLU CA
H A 0059 SER C 3.188 C A 0060 GLU C
H A 0059 SER C 3.765 C A 0060 GLU CB
C A 0060 GLU CA 3.799 C A 0061 LEU CA
C A 0060 GLU C 2.474 C A 0061 LEU CA
C A 0060 GLU C 3.542 C A 0061 LEU C
C A 0060 GLU C 3.404 C A 0061 LEU CB
C A 0061 LEU C 2.495 C A 0062 THR CA
C A 0061 LEU C 3.066 C A 0062 THR C
C A 0061 LEU C 3.747 C A 0062 THR CB
C A 0062 THR C 2.503 H A 0063 GLN CA
C A 0062 THR C 3.070 H A 0063 GLN C
C A 0062 THR C 3.780 H A 0063 GLN CB
H A 0063 GLN C 2.496 H A 0064 GLU CA
H A 0063 GLN C 3.151 H A 0064 GLU C
H A 0063 GLN C 3.749 H A 0064 GLU CB
H A 0064 GLU C 2.475 H A 0065 ASP CA
H A 0064 GLU C 3.209 H A 0065 ASP C
H A 0064 GLU C 3.771 H A 0065 ASP CB
H A 0065 ASP C 2.461 H A 0066 LYS CA
H A 0065 ASP C 3.051 H A 0066 LYS C
H A 0065 ASP C 3.745 H A 0066 LYS CB
H A 0066 LYS C 2.482 H A 0067 LYS CA
H A 0066 LYS C 3.132 H A 0067 LYS C
H A 0066 LYS C 3.783 H A 0067 LYS CB
H A 0067 LYS C 2.502 H A 0068 THR CA
H A 0067 LYS C 3.049 H A 0068 THR C
H A 0067 LYS C 3.784 H A 0068 THR CB
H A 0068 THR C 2.469 H A 0069 LEU CA
H A 0068 THR C 3.132 H A 0069 LEU C
H A 0068 THR C 3.774 H A 0069 LEU CB
H A 0069 LEU C 2.507 H A 0070 ILE CA
H A 0069 LEU C 3.026 H A 0070 ILE C
H A 0069 LEU C 3.794 H A 0070 ILE CB
H A 0069 LEU CB 3.714 H A 0077 PHE CG
H A 0069 LEU CB 3.594 H A 0077 PHE CD1
H A 0069 LEU CD1 3.525 H A 0077 PHE CE1
H A 0070 ILE C 2.509 H A 0071 ASP CA
H A 0070 ILE C 3.139 H A 0071 ASP C
H A 0070 ILE C 3.739 H A 0071 ASP CB
H A 0070 ILE CG1 3.475 H A 0077 PHE CD2
H A 0070 ILE CG1 3.538 H A 0077 PHE CE2
H A 0071 ASP C 2.453 C A 0072 GLU CA
H A 0071 ASP C 3.224 C A 0072 GLU C
H A 0071 ASP C 3.690 C A 0072 GLU CB
C A 0072 GLU C 2.455 C A 0073 PHE CA
C A 0072 GLU C 3.293 C A 0073 PHE C
C A 0072 GLU C 3.667 C A 0073 PHE CB
C A 0073 PHE C 2.499 C A 0074 ASN CA
C A 0073 PHE C 3.042 C A 0074 ASN C
C A 0073 PHE C 3.779 C A 0074 ASN CB
C A 0074 ASN C 2.467 H A 0075 GLU CA
C A 0074 ASN C 3.252 H A 0075 GLU C
C A 0074 ASN C 3.674 H A 0075 GLU CB
H A 0075 GLU C 2.487 H A 0076 GLY CA
H A 0075 GLU C 3.163 H A 0076 GLY C
H A 0076 GLY C 2.442 H A 0077 PHE CA
H A 0076 GLY C 3.103 H A 0077 PHE C
H A 0076 GLY C 3.746 H A 0077 PHE CB
H A 0077 PHE C 2.491 H A 0078 GLU CA
H A 0077 PHE C 3.042 H A 0078 GLU C
H A 0077 PHE C 3.791 H A 0078 GLU CB
H A 0077 PHE CE2 3.571 H A 0081 TYR CD1
H A 0078 GLU C 2.506 H A 0079 GLY CA
H A 0078 GLU C 3.050 H A 0079 GLY C
H A 0078 GLU CG 3.551 H A 0082 ARG CD
H A 0078 GLU CD 3.701 H A 0082 ARG CD
H A 0079 GLY C 2.455 H A 0080 VAL CA
H A 0079 GLY C 3.133 H A 0080 VAL C
H A 0079 GLY C 3.685 H A 0080 VAL CB
H A 0080 VAL C 2.530 H A 0081 TYR CA
H A 0080 VAL C 3.088 H A 0081 TYR C
H A 0080 VAL C 3.744 H A 0081 TYR CB
H A 0081 TYR C 2.471 H A 0082 ARG CA
H A 0081 TYR C 3.088 H A 0082 ARG C
H A 0081 TYR C 3.755 H A 0082 ARG CB
H A 0082 ARG C 2.446 H A 0083 TYR CA
H A 0082 ARG C 3.164 H A 0083 TYR C
H A 0082 ARG C 3.723 H A 0083 TYR CB
H A 0083 TYR C 2.456 H A 0084 LEU CA
H A 0083 TYR C 3.125 H A 0084 LEU C
H A 0083 TYR C 3.784 H A 0084 LEU CB
H A 0084 LEU C 2.469 H A 0085 GLU CA
H A 0084 LEU C 3.160 H A 0085 GLU C
H A 0084 LEU C 3.780 H A 0085 GLU CB
H A 0085 GLU C 2.472 H A 0086 MET CA
H A 0085 GLU C 3.192 H A 0086 MET C
H A 0085 GLU C 3.732 H A 0086 MET CB
H A 0086 MET C 2.455 H A 0087 TYR CA
H A 0086 MET C 3.264 H A 0087 TYR C
H A 0086 MET C 3.720 H A 0087 TYR CB
H A 0087 TYR C 2.455 C A 0088 THR CA
H A 0087 TYR C 3.262 C A 0088 THR C
H A 0087 TYR C 3.705 C A 0088 THR CB
C A 0088 THR C 2.468 C A 0089 ASN CA
C A 0088 THR C 3.292 C A 0089 ASN C
C A 0088 THR C 3.686 C A 0089 ASN CB
C A 0089 ASN C 2.456 C A 0090 LYS CA
C A 0089 ASN C 3.191 C A 0090 LYS C
C A 0089 ASN C 3.737 C A 0090 LYS CB
CHARGE_ATTR 2.00 12.00 100
H A 0006 ASP OD1 4.203 C A 0003 LYS NZ
H A 0006 ASP OD2 4.945 C A 0003 LYS NZ
H A 0006 ASP OD1 4.550 H A 0009 ARG NH1
H A 0006 ASP OD1 6.278 H A 0009 ARG NH2
H A 0006 ASP OD2 6.443 H A 0009 ARG NH1
H A 0006 ASP OD2 8.365 H A 0009 ARG NH2
H A 0006 ASP OD1 11.36 C A 0044 HIS ND1
H A 0006 ASP OD1 9.515 C A 0044 HIS NE2
H A 0006 ASP OD2 11.24 C A 0044 HIS ND1
H A 0006 ASP OD2 9.414 C A 0044 HIS NE2
H A 0010 GLU OE1 10.78 H A 0009 ARG NH1
H A 0010 GLU OE1 11.93 C A 0044 HIS NE2
H A 0024 GLU OE1 7.287 C A 0023 ARG NH1
H A 0024 GLU OE1 7.025 C A 0023 ARG NH2
H A 0024 GLU OE2 6.032 C A 0023 ARG NH1
H A 0024 GLU OE2 5.290 C A 0023 ARG NH2
H A 0024 GLU OE1 11.94 H A 0030 ARG NH2
H A 0024 GLU OE1 9.584 H A 0082 ARG NH1
H A 0024 GLU OE1 8.178 H A 0082 ARG NH2
H A 0024 GLU OE2 10.53 H A 0082 ARG NH1
H A 0024 GLU OE2 9.146 H A 0082 ARG NH2
H A 0025 ASP OD1 8.520 C A 0023 ARG NH1
H A 0025 ASP OD1 7.027 C A 0023 ARG NH2
H A 0025 ASP OD2 10.48 C A 0023 ARG NH1
H A 0025 ASP OD2 8.918 C A 0023 ARG NH2
H A 0028 GLU OE1 11.41 C A 0023 ARG NH2
H A 0028 GLU OE1 9.086 H A 0030 ARG NH1
H A 0028 GLU OE1 9.236 H A 0030 ARG NH2
H A 0028 GLU OE2 7.601 H A 0030 ARG NH1
H A 0028 GLU OE2 8.120 H A 0030 ARG NH2
C A 0045 GLU OE2 11.91 C A 0003 LYS NZ
C A 0045 GLU OE1 6.222 C A 0044 HIS ND1
C A 0045 GLU OE1 6.243 C A 0044 HIS NE2
C A 0045 GLU OE2 5.292 C A 0044 HIS ND1
C A 0045 GLU OE2 4.656 C A 0044 HIS NE2
C A 0045 GLU OE1 8.828 C A 0047 ARG NH1
C A 0045 GLU OE1 10.79 C A 0047 ARG NH2
C A 0045 GLU OE2 10.33 C A 0047 ARG NH1
C A 0045 GLU OE1 10.78 H A 0056 LYS NZ
C A 0045 GLU OE2 11.60 H A 0056 LYS NZ
C A 0060 GLU OE1 8.208 C A 0044 HIS ND1
C A 0060 GLU OE1 8.936 C A 0044 HIS NE2
C A 0060 GLU OE2 10.36 C A 0044 HIS ND1
C A 0060 GLU OE2 11.14 C A 0044 HIS NE2
C A 0060 GLU OE1 9.520 C A 0047 ARG NH1
C A 0060 GLU OE1 11.08 C A 0047 ARG NH2
C A 0060 GLU OE2 10.32 C A 0047 ARG NH1
C A 0060 GLU OE2 11.75 C A 0047 ARG NH2
C A 0060 GLU OE1 11.66 H A 0055 ARG NH1
C A 0060 GLU OE1 10.64 H A 0055 ARG NH2
C A 0060 GLU OE2 11.09 H A 0055 ARG NH1
C A 0060 GLU OE2 10.21 H A 0055 ARG NH2
C A 0060 GLU OE1 4.938 H A 0056 LYS NZ
C A 0060 GLU OE2 5.169 H A 0056 LYS NZ
C A 0060 GLU OE1 12.00 H A 0066 LYS NZ
C A 0060 GLU OE2 11.97 H A 0066 LYS NZ
H A 0064 GLU OE1 9.253 H A 0066 LYS NZ
H A 0064 GLU OE2 9.553 H A 0066 LYS NZ
H A 0064 GLU OE1 11.24 H A 0067 LYS NZ
H A 0064 GLU OE2 9.457 H A 0067 LYS NZ
H A 0065 ASP OD1 7.594 C A 0003 LYS NZ
H A 0065 ASP OD2 7.220 C A 0003 LYS NZ
H A 0065 ASP OD1 5.570 H A 0009 ARG NH1
H A 0065 ASP OD1 3.809 H A 0009 ARG NH2
H A 0065 ASP OD2 7.136 H A 0009 ARG NH1
H A 0065 ASP OD2 5.775 H A 0009 ARG NH2
H A 0065 ASP OD1 11.93 H A 0066 LYS NZ
H A 0065 ASP OD2 11.65 H A 0066 LYS NZ
H A 0071 ASP OD1 11.87 H A 0009 ARG NH2
H A 0071 ASP OD2 10.15 H A 0009 ARG NH2
H A 0071 ASP OD1 4.286 H A 0067 LYS NZ
H A 0071 ASP OD2 5.636 H A 0067 LYS NZ
C A 0072 GLU OE1 6.909 H A 0009 ARG NH1
C A 0072 GLU OE1 5.733 H A 0009 ARG NH2
C A 0072 GLU OE2 8.229 H A 0009 ARG NH1
C A 0072 GLU OE2 6.795 H A 0009 ARG NH2
C A 0072 GLU OE1 11.19 H A 0067 LYS NZ
C A 0072 GLU OE2 10.21 H A 0067 LYS NZ
H A 0075 GLU OE1 5.953 H A 0020 LYS NZ
H A 0075 GLU OE2 8.149 H A 0020 LYS NZ
H A 0075 GLU OE1 8.908 C A 0023 ARG NH1
H A 0075 GLU OE1 11.20 C A 0023 ARG NH2
H A 0075 GLU OE2 8.868 C A 0023 ARG NH1
H A 0075 GLU OE2 11.12 C A 0023 ARG NH2
H A 0075 GLU OE1 9.596 H A 0082 ARG NH1
H A 0075 GLU OE1 11.10 H A 0082 ARG NH2
H A 0075 GLU OE2 8.182 H A 0082 ARG NH1
H A 0075 GLU OE2 9.725 H A 0082 ARG NH2
H A 0078 GLU OE1 11.36 H A 0067 LYS NZ
H A 0078 GLU OE1 4.815 H A 0082 ARG NH1
H A 0078 GLU OE1 7.007 H A 0082 ARG NH2
H A 0078 GLU OE2 2.715 H A 0082 ARG NH1
H A 0078 GLU OE2 4.911 H A 0082 ARG NH2
H A 0085 GLU OE1 11.10 H A 0055 ARG NH1
H A 0085 GLU OE2 9.497 H A 0055 ARG NH1
H A 0085 GLU OE2 11.37 H A 0055 ARG NH2
H A 0085 GLU OE1 8.630 H A 0066 LYS NZ
H A 0085 GLU OE2 7.424 H A 0066 LYS NZ
H A 0085 GLU OE1 11.12 H A 0082 ARG NH1
H A 0085 GLU OE1 11.22 H A 0082 ARG NH2
CHARGE_REPU 2.00 12.00 72
C A 0003 LYS NZ 6.422 H A 0009 ARG NH1
C A 0003 LYS NZ 7.476 H A 0009 ARG NH2
C A 0003 LYS NZ 10.48 C A 0044 HIS NE2
H A 0006 ASP OD1 8.743 H A 0010 GLU OE1
H A 0006 ASP OD1 10.62 H A 0010 GLU OE2
H A 0006 ASP OD2 8.064 H A 0010 GLU OE1
H A 0006 ASP OD2 10.15 H A 0010 GLU OE2
H A 0006 ASP OD2 11.62 C A 0045 GLU OE2
H A 0006 ASP OD1 7.899 H A 0065 ASP OD1
H A 0006 ASP OD1 8.392 H A 0065 ASP OD2
H A 0006 ASP OD2 10.05 H A 0065 ASP OD1
H A 0006 ASP OD2 10.39 H A 0065 ASP OD2
H A 0006 ASP OD1 11.36 C A 0072 GLU OE1
H A 0020 LYS NZ 11.53 C A 0023 ARG NH1
C A 0023 ARG NH1 11.20 H A 0082 ARG NH1
C A 0023 ARG NH1 10.91 H A 0082 ARG NH2
C A 0023 ARG NH2 12.00 H A 0082 ARG NH2
H A 0024 GLU OE1 8.069 H A 0025 ASP OD1
H A 0024 GLU OE1 10.14 H A 0025 ASP OD2
H A 0024 GLU OE2 7.240 H A 0025 ASP OD1
H A 0024 GLU OE2 9.342 H A 0025 ASP OD2
H A 0024 GLU OE1 7.362 H A 0028 GLU OE1
H A 0024 GLU OE1 9.240 H A 0028 GLU OE2
H A 0024 GLU OE2 7.787 H A 0028 GLU OE1
H A 0024 GLU OE2 9.858 H A 0028 GLU OE2
H A 0024 GLU OE1 11.55 H A 0078 GLU OE2
H A 0025 ASP OD1 6.893 H A 0028 GLU OE1
H A 0025 ASP OD1 8.744 H A 0028 GLU OE2
H A 0025 ASP OD2 7.567 H A 0028 GLU OE1
H A 0025 ASP OD2 9.059 H A 0028 GLU OE2
H A 0030 ARG NH1 11.87 H A 0055 ARG NH1
H A 0030 ARG NH2 11.46 H A 0055 ARG NH1
C A 0044 HIS ND1 9.157 C A 0047 ARG NH1
C A 0044 HIS ND1 10.49 C A 0047 ARG NH2
C A 0044 HIS NE2 10.99 C A 0047 ARG NH1
C A 0044 HIS ND1 9.018 H A 0056 LYS NZ
C A 0044 HIS NE2 10.64 H A 0056 LYS NZ
C A 0045 GLU OE1 10.29 C A 0060 GLU OE1
C A 0045 GLU OE2 10.43 C A 0060 GLU OE1
C A 0047 ARG NH1 10.75 C A 0048 LYS NZ
C A 0047 ARG NH2 9.078 C A 0048 LYS NZ
C A 0047 ARG NH2 11.94 H A 0055 ARG NH2
C A 0047 ARG NH1 5.754 H A 0056 LYS NZ
C A 0047 ARG NH2 6.744 H A 0056 LYS NZ
H A 0055 ARG NH1 10.15 H A 0056 LYS NZ
H A 0055 ARG NH2 8.341 H A 0056 LYS NZ
H A 0055 ARG NH1 8.335 C A 0090 LYS NZ
H A 0055 ARG NH2 8.878 C A 0090 LYS NZ
H A 0064 GLU OE1 8.650 H A 0065 ASP OD1
H A 0064 GLU OE1 7.583 H A 0065 ASP OD2
H A 0064 GLU OE2 9.376 H A 0065 ASP OD1
H A 0064 GLU OE2 8.773 H A 0065 ASP OD2
H A 0064 GLU OE2 11.94 H A 0071 ASP OD1
H A 0064 GLU OE2 11.41 H A 0071 ASP OD2
H A 0065 ASP OD1 11.92 H A 0071 ASP OD1
H A 0065 ASP OD1 10.35 H A 0071 ASP OD2
H A 0065 ASP OD1 8.200 C A 0072 GLU OE1
H A 0065 ASP OD1 8.550 C A 0072 GLU OE2
H A 0065 ASP OD2 10.41 C A 0072 GLU OE1
H A 0065 ASP OD2 10.64 C A 0072 GLU OE2
H A 0066 LYS NZ 11.72 H A 0067 LYS NZ
H A 0071 ASP OD1 7.995 C A 0072 GLU OE1
H A 0071 ASP OD1 6.861 C A 0072 GLU OE2
H A 0071 ASP OD2 6.348 C A 0072 GLU OE1
H A 0071 ASP OD2 4.908 C A 0072 GLU OE2
H A 0071 ASP OD1 11.60 H A 0078 GLU OE1
H A 0075 GLU OE1 9.146 H A 0078 GLU OE1
H A 0075 GLU OE1 8.780 H A 0078 GLU OE2
H A 0075 GLU OE2 7.984 H A 0078 GLU OE1
H A 0075 GLU OE2 7.553 H A 0078 GLU OE2
H A 0078 GLU OE1 11.09 H A 0085 GLU OE1
H A 0078 GLU OE2 10.69 H A 0085 GLU OE1
HB_MM 2.00 3.20 149
C A 0003 LYS N 2.221 C A 0002 ASN O
H A 0004 ASN N 2.257 C A 0003 LYS O
H A 0005 ILE N 2.256 H A 0004 ASN O
H A 0006 ASP N 2.235 H A 0005 ILE O
H A 0007 THR N 3.167 H A 0004 ASN O
H A 0007 THR N 2.247 H A 0006 ASP O
H A 0008 VAL N 2.886 H A 0004 ASN O
H A 0008 VAL N 2.244 H A 0007 THR O
H A 0009 ARG N 2.757 H A 0005 ILE O
H A 0009 ARG N 2.243 H A 0008 VAL O
H A 0010 GLU N 2.891 H A 0006 ASP O
H A 0010 GLU N 2.239 H A 0009 ARG O
H A 0011 ILE N 2.883 H A 0007 THR O
H A 0011 ILE N 2.244 H A 0010 GLU O
H A 0012 ILE N 2.940 H A 0008 VAL O
H A 0012 ILE N 2.244 H A 0011 ILE O
H A 0013 THR N 2.968 H A 0009 ARG O
H A 0013 THR N 3.045 H A 0010 GLU O
H A 0013 THR N 2.242 H A 0012 ILE O
H A 0014 VAL N 2.822 H A 0010 GLU O
H A 0014 VAL N 2.248 H A 0013 THR O
H A 0015 ALA N 2.819 H A 0011 ILE O
H A 0015 ALA N 2.230 H A 0014 VAL O
H A 0016 SER N 2.954 H A 0012 ILE O
H A 0016 SER N 2.234 H A 0015 ALA O
H A 0017 ILE N 2.255 H A 0016 SER O
H A 0018 LEU N 3.108 H A 0015 ALA O
H A 0018 LEU N 2.244 H A 0017 ILE O
H A 0019 ILE N 3.101 H A 0015 ALA O
H A 0019 ILE N 2.289 H A 0018 LEU O
H A 0020 LYS N 3.016 H A 0016 SER O
H A 0020 LYS N 2.240 H A 0019 ILE O
C A 0021 PHE N 2.900 H A 0017 ILE O
C A 0021 PHE N 2.242 H A 0020 LYS O
C A 0022 SER N 3.062 H A 0018 LEU O
C A 0022 SER N 2.240 C A 0021 PHE O
C A 0023 ARG N 2.869 H A 0018 LEU O
C A 0023 ARG N 2.243 C A 0022 SER O
H A 0024 GLU N 2.233 C A 0023 ARG O
H A 0025 ASP N 2.252 H A 0024 GLU O
H A 0026 ILE N 2.249 H A 0025 ASP O
H A 0027 VAL N 2.253 H A 0026 ILE O
H A 0028 GLU N 2.261 H A 0027 VAL O
C A 0029 ASN N 2.273 H A 0028 GLU O
H A 0030 ARG N 3.026 H A 0028 GLU O
H A 0030 ARG N 2.252 C A 0029 ASN O
H A 0031 ALA N 3.130 C A 0029 ASN O
H A 0031 ALA N 2.244 H A 0030 ARG O
H A 0032 ASN N 2.985 C A 0029 ASN O
H A 0032 ASN N 2.264 H A 0031 ALA O
H A 0033 PHE N 3.102 C A 0029 ASN O
H A 0033 PHE N 2.237 H A 0032 ASN O
H A 0034 ILE N 2.249 H A 0033 PHE O
H A 0035 ALA N 2.937 H A 0031 ALA O
H A 0035 ALA N 2.258 H A 0034 ILE O
H A 0036 PHE N 3.020 H A 0032 ASN O
H A 0036 PHE N 2.258 H A 0035 ALA O
H A 0037 LEU N 3.129 H A 0034 ILE O
H A 0037 LEU N 2.242 H A 0036 PHE O
H A 0038 ASN N 3.033 H A 0034 ILE O
H A 0038 ASN N 2.226 H A 0037 LEU O
H A 0039 GLU N 2.920 H A 0035 ALA O
H A 0039 GLU N 2.252 H A 0038 ASN O
C A 0040 ILE N 3.177 H A 0038 ASN O
C A 0040 ILE N 2.263 H A 0039 GLU O
C A 0041 GLY N 2.840 H A 0038 ASN O
C A 0041 GLY N 2.234 C A 0040 ILE O
C A 0042 VAL N 2.251 C A 0041 GLY O
C A 0043 THR N 3.174 C A 0041 GLY O
C A 0043 THR N 2.249 C A 0042 VAL O
C A 0044 HIS N 2.252 C A 0043 THR O
C A 0044 HIS N 3.088 C A 0047 ARG O
C A 0045 GLU N 2.261 C A 0044 HIS O
C A 0046 GLY N 3.032 C A 0044 HIS O
C A 0046 GLY N 2.240 C A 0045 GLU O
C A 0047 ARG N 2.849 C A 0044 HIS O
C A 0047 ARG N 2.243 C A 0046 GLY O
C A 0048 LYS N 2.246 C A 0047 ARG O
C A 0049 LEU N 2.227 C A 0048 LYS O
C A 0050 ASN N 2.920 C A 0048 LYS O
C A 0050 ASN N 2.244 C A 0049 LEU O
H A 0051 GLN N 2.233 C A 0050 ASN O
H A 0052 ASN N 3.149 C A 0050 ASN O
H A 0052 ASN N 2.245 H A 0051 GLN O
H A 0053 SER N 2.931 C A 0050 ASN O
H A 0053 SER N 2.238 H A 0052 ASN O
H A 0054 PHE N 2.751 C A 0050 ASN O
H A 0054 PHE N 2.250 H A 0053 SER O
H A 0055 ARG N 2.244 H A 0054 PHE O
H A 0056 LYS N 3.024 H A 0052 ASN O
H A 0056 LYS N 2.243 H A 0055 ARG O
H A 0057 ILE N 2.223 H A 0056 LYS O
H A 0058 VAL N 2.241 H A 0057 ILE O
H A 0059 SER N 2.817 H A 0055 ARG O
H A 0059 SER N 2.222 H A 0058 VAL O
C A 0060 GLU N 2.684 H A 0056 LYS O
C A 0060 GLU N 2.239 H A 0059 SER O
C A 0061 LEU N 3.093 H A 0059 SER O
C A 0061 LEU N 2.246 C A 0060 GLU O
C A 0062 THR N 2.256 C A 0061 LEU O
H A 0063 GLN N 2.247 C A 0062 THR O
H A 0064 GLU N 2.246 H A 0063 GLN O
H A 0065 ASP N 3.039 C A 0062 THR O
H A 0065 ASP N 2.259 H A 0064 GLU O
H A 0066 LYS N 2.802 C A 0062 THR O
H A 0066 LYS N 2.249 H A 0065 ASP O
H A 0067 LYS N 2.840 H A 0063 GLN O
H A 0067 LYS N 2.257 H A 0066 LYS O
H A 0068 THR N 2.953 H A 0064 GLU O
H A 0068 THR N 2.242 H A 0067 LYS O
H A 0069 LEU N 3.163 H A 0066 LYS O
H A 0069 LEU N 2.245 H A 0068 THR O
H A 0070 ILE N 3.148 H A 0066 LYS O
H A 0070 ILE N 3.179 H A 0067 LYS O
H A 0070 ILE N 2.259 H A 0069 LEU O
H A 0071 ASP N 2.738 H A 0067 LYS O
H A 0071 ASP N 2.263 H A 0070 ILE O
C A 0072 GLU N 2.961 H A 0068 THR O
C A 0072 GLU N 2.241 H A 0071 ASP O
C A 0073 PHE N 2.851 H A 0069 LEU O
C A 0073 PHE N 2.232 C A 0072 GLU O
C A 0074 ASN N 3.190 C A 0072 GLU O
C A 0074 ASN N 2.262 C A 0073 PHE O
H A 0075 GLU N 2.254 C A 0074 ASN O
H A 0076 GLY N 2.248 H A 0075 GLU O
H A 0077 PHE N 2.869 C A 0073 PHE O
H A 0077 PHE N 2.235 H A 0076 GLY O
H A 0078 GLU N 2.267 H A 0077 PHE O
H A 0079 GLY N 2.811 H A 0075 GLU O
H A 0079 GLY N 2.273 H A 0078 GLU O
H A 0080 VAL N 3.180 H A 0077 PHE O
H A 0080 VAL N 2.219 H A 0079 GLY O
H A 0081 TYR N 2.929 H A 0077 PHE O
H A 0081 TYR N 2.251 H A 0080 VAL O
H A 0082 ARG N 2.842 H A 0078 GLU O
H A 0082 ARG N 2.235 H A 0081 TYR O
H A 0083 TYR N 2.235 H A 0082 ARG O
H A 0084 LEU N 2.742 H A 0080 VAL O
H A 0084 LEU N 2.240 H A 0083 TYR O
H A 0085 GLU N 3.135 H A 0081 TYR O
H A 0085 GLU N 2.257 H A 0084 LEU O
H A 0086 MET N 3.184 H A 0082 ARG O
H A 0086 MET N 2.243 H A 0085 GLU O
H A 0087 TYR N 2.806 H A 0083 TYR O
H A 0087 TYR N 2.237 H A 0086 MET O
C A 0088 THR N 2.924 H A 0084 LEU O
C A 0088 THR N 2.236 H A 0087 TYR O
C A 0089 ASN N 2.235 C A 0088 THR O
C A 0090 LYS N 2.229 C A 0089 ASN O
HB_MS 2.00 3.20 8
C A 0003 LYS O 2.779 H A 0007 THR OG1
H A 0009 ARG O 2.602 H A 0013 THR OG1
H A 0012 ILE O 2.720 H A 0016 SER OG
C A 0049 LEU N 3.127 H A 0038 ASN OD1
C A 0049 LEU O 3.101 H A 0038 ASN ND2
H A 0064 GLU O 2.757 H A 0068 THR OG1
H A 0084 LEU O 2.750 C A 0088 THR OG1
C A 0090 LYS N 2.802 C A 0089 ASN OD1
HB_SS 2.00 3.20 3
H A 0024 GLU OE1 2.636 H A 0083 TYR OH
H A 0032 ASN ND2 2.882 C A 0029 ASN OD1
H A 0066 LYS NZ 3.196 H A 0063 GLN OE1
AROMATIC 0.00 8.00 3
H A 0020 LYS 7.687 C A 0021 PHE
H A 0066 LYS 7.005 H A 0081 TYR
H A 0030 ARG 5.269 H A 0087 TYR
COMMENT BEGIN
#########################################################################
COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "B"
HYDROPHOBIC 2.00 3.80 31
H A 0010 GLU CD 3.582 C B 0562 ARG CZ
H A 0013 THR CG2 3.666 H B 0554 ARG C
H A 0013 THR CG2 3.501 H B 0555 GLU CA
H A 0013 THR CG2 3.705 H B 0555 GLU CG
H A 0013 THR CG2 3.782 H B 0558 VAL CG1
H A 0013 THR CG2 3.559 H B 0558 VAL CG2
H A 0017 ILE CD1 3.498 H B 0558 VAL CG2
H A 0020 LYS CE 3.698 H B 0555 GLU CD
C A 0021 PHE CD2 3.409 H B 0580 PHE CE1
C A 0021 PHE CD2 3.517 H B 0580 PHE CZ
C A 0021 PHE CE2 3.687 H B 0580 PHE CD2
C A 0021 PHE CE2 3.757 H B 0580 PHE CE1
C A 0021 PHE CE2 3.548 H B 0580 PHE CE2
C A 0021 PHE CE2 3.579 H B 0580 PHE CZ
C A 0021 PHE CZ 3.655 H B 0580 PHE CE2
C A 0021 PHE CE2 3.489 H B 0583 THR CG2
C A 0021 PHE CB 3.773 H B 0587 ILE CD1
H A 0026 ILE CD1 3.492 H B 0587 ILE CG2
H A 0031 ALA CB 3.558 C B 0598 LEU CD2
H A 0036 PHE CE1 3.378 H B 0587 ILE CG2
H A 0036 PHE CZ 3.590 H B 0587 ILE CG2
H A 0036 PHE CD1 3.552 H B 0590 ILE CG2
H A 0036 PHE CE1 3.705 H B 0590 ILE CB
H A 0036 PHE CE1 3.310 H B 0590 ILE CG2
H A 0036 PHE CE2 3.696 H B 0591 GLU CA
H A 0036 PHE CZ 3.478 H B 0591 GLU CA
H A 0036 PHE CZ 3.691 H B 0591 GLU CB
H A 0039 GLU CG 3.749 H B 0594 ALA CB
C A 0073 PHE CE1 3.703 H B 0554 ARG CZ
C A 0073 PHE CZ 3.715 H B 0554 ARG CD
C A 0073 PHE CZ 3.741 H B 0554 ARG CZ
CHARGE_ATTR 2.00 12.00 55
H A 0006 ASP OD1 8.249 H B 0554 ARG NH1
H A 0006 ASP OD1 9.101 H B 0554 ARG NH2
H A 0006 ASP OD2 9.662 H B 0554 ARG NH1
H A 0006 ASP OD2 10.47 H B 0554 ARG NH2
H A 0006 ASP OD1 11.88 H B 0557 LYS NZ
H A 0006 ASP OD2 11.23 H B 0557 LYS NZ
H A 0006 ASP OD1 10.69 C B 0562 ARG NH2
H A 0006 ASP OD2 11.51 C B 0562 ARG NH1
H A 0006 ASP OD2 9.547 C B 0562 ARG NH2
H A 0010 GLU OE1 9.842 H B 0554 ARG NH1
H A 0010 GLU OE1 11.46 H B 0554 ARG NH2
H A 0010 GLU OE2 10.36 H B 0554 ARG NH1
H A 0010 GLU OE1 9.617 H B 0557 LYS NZ
H A 0010 GLU OE2 10.35 H B 0557 LYS NZ
H A 0010 GLU OE1 4.811 C B 0562 ARG NH1
H A 0010 GLU OE1 2.733 C B 0562 ARG NH2
H A 0010 GLU OE2 4.738 C B 0562 ARG NH1
H A 0010 GLU OE2 3.359 C B 0562 ARG NH2
H A 0020 LYS NZ 10.64 H B 0546 ASP OD1
H A 0020 LYS NZ 9.862 H B 0546 ASP OD2
H A 0020 LYS NZ 2.703 H B 0555 GLU OE1
H A 0020 LYS NZ 2.787 H B 0555 GLU OE2
H A 0025 ASP OD1 8.446 H B 0584 ARG NH1
H A 0025 ASP OD1 10.02 H B 0584 ARG NH2
H A 0025 ASP OD2 8.347 H B 0584 ARG NH1
H A 0025 ASP OD2 9.488 H B 0584 ARG NH2
H A 0025 ASP OD2 11.10 H B 0588 ARG NH1
H A 0025 ASP OD2 10.20 H B 0588 ARG NH2
H A 0030 ARG NH1 7.514 C B 0605 GLU OE1
H A 0030 ARG NH1 6.716 C B 0605 GLU OE2
H A 0030 ARG NH2 8.608 C B 0605 GLU OE1
H A 0030 ARG NH2 7.918 C B 0605 GLU OE2
H A 0039 GLU OE1 11.22 C B 0562 ARG NH1
H A 0039 GLU OE1 10.95 H B 0586 ARG NH1
H A 0039 GLU OE1 9.696 H B 0586 ARG NH2
H A 0039 GLU OE2 11.51 H B 0586 ARG NH2
H A 0039 GLU OE1 6.813 H B 0593 LYS NZ
H A 0039 GLU OE2 7.421 H B 0593 LYS NZ
H A 0039 GLU OE2 11.91 H B 0596 ARG NH1
H A 0039 GLU OE2 11.85 H B 0596 ARG NH2
H A 0039 GLU OE1 6.797 C B 0597 LYS NZ
H A 0039 GLU OE2 5.032 C B 0597 LYS NZ
H A 0039 GLU OE1 11.30 C B 0599 ARG NH2
H A 0039 GLU OE2 10.65 C B 0599 ARG NH1
H A 0039 GLU OE2 9.122 C B 0599 ARG NH2
H A 0065 ASP OD1 9.003 H B 0554 ARG NH1
H A 0065 ASP OD1 9.380 H B 0554 ARG NH2
H A 0065 ASP OD2 11.01 H B 0554 ARG NH1
H A 0065 ASP OD2 11.46 H B 0554 ARG NH2
H A 0071 ASP OD2 11.21 H B 0554 ARG NH1
H A 0071 ASP OD2 10.58 H B 0554 ARG NH2
C A 0072 GLU OE1 5.253 H B 0554 ARG NH1
C A 0072 GLU OE1 4.249 H B 0554 ARG NH2
C A 0072 GLU OE2 7.405 H B 0554 ARG NH1
C A 0072 GLU OE2 6.181 H B 0554 ARG NH2
CHARGE_REPU 2.00 12.00 41
C A 0003 LYS NZ 11.31 H B 0554 ARG NH1
C A 0003 LYS NZ 11.62 H B 0554 ARG NH2
H A 0009 ARG NH1 5.094 H B 0554 ARG NH1
H A 0009 ARG NH1 5.351 H B 0554 ARG NH2
H A 0009 ARG NH2 5.489 H B 0554 ARG NH1
H A 0009 ARG NH2 5.711 H B 0554 ARG NH2
H A 0009 ARG NH1 11.78 H B 0557 LYS NZ
H A 0010 GLU OE2 10.70 H B 0555 GLU OE1
H A 0010 GLU OE2 11.66 H B 0555 GLU OE2
C A 0023 ARG NH1 9.847 H B 0584 ARG NH1
C A 0023 ARG NH2 9.121 H B 0584 ARG NH1
C A 0023 ARG NH2 11.36 H B 0584 ARG NH2
H A 0024 GLU OE2 12.00 C B 0613 ASP OD1
H A 0025 ASP OD1 9.714 H B 0591 GLU OE1
H A 0025 ASP OD1 8.299 H B 0591 GLU OE2
H A 0025 ASP OD2 8.105 H B 0591 GLU OE1
H A 0025 ASP OD2 6.948 H B 0591 GLU OE2
H A 0025 ASP OD1 8.782 C B 0613 ASP OD1
H A 0025 ASP OD1 8.570 C B 0613 ASP OD2
H A 0025 ASP OD2 8.101 C B 0613 ASP OD1
H A 0025 ASP OD2 7.430 C B 0613 ASP OD2
H A 0028 GLU OE1 11.92 H B 0591 GLU OE1
H A 0028 GLU OE1 9.853 H B 0591 GLU OE2
H A 0028 GLU OE2 10.04 H B 0591 GLU OE2
H A 0028 GLU OE1 7.823 C B 0605 GLU OE1
H A 0028 GLU OE1 6.079 C B 0605 GLU OE2
H A 0028 GLU OE2 5.761 C B 0605 GLU OE1
H A 0028 GLU OE2 3.907 C B 0605 GLU OE2
H A 0028 GLU OE1 9.038 C B 0613 ASP OD1
H A 0028 GLU OE1 10.04 C B 0613 ASP OD2
H A 0028 GLU OE2 9.779 C B 0613 ASP OD1
H A 0028 GLU OE2 10.81 C B 0613 ASP OD2
C A 0048 LYS NZ 8.200 C B 0597 LYS NZ
C A 0048 LYS NZ 7.784 C B 0599 ARG NH1
C A 0048 LYS NZ 9.139 C B 0599 ARG NH2
C A 0048 LYS NZ 10.86 C B 0600 HIS ND1
C A 0048 LYS NZ 8.721 C B 0600 HIS NE2
H A 0075 GLU OE1 8.328 H B 0555 GLU OE1
H A 0075 GLU OE1 8.127 H B 0555 GLU OE2
H A 0075 GLU OE2 10.46 H B 0555 GLU OE1
H A 0075 GLU OE2 10.25 H B 0555 GLU OE2
HB_MS 2.00 3.20 1
H A 0020 LYS NZ 2.831 H B 0550 GLY O
AROMATIC 0.00 8.00 2
C A 0021 PHE 3.990 H B 0580 PHE
C A 0073 PHE 4.437 H B 0554 ARG
COMMENT BEGIN
#########################################################################
COMMENT END
CONTACTS BETWEEN
CHAIN(S) "B"
AND
CHAIN(S) "B"
HYDROPHOBIC 2.00 3.80 208
H B 0546 ASP C 2.494 H B 0547 VAL CA
H B 0546 ASP C 3.085 H B 0547 VAL C
H B 0546 ASP C 3.762 H B 0547 VAL CB
H B 0547 VAL C 2.478 H B 0548 LEU CA
H B 0547 VAL C 3.080 H B 0548 LEU C
H B 0548 LEU C 2.450 H B 0549 ALA CA
H B 0548 LEU C 3.188 H B 0549 ALA C
H B 0548 LEU C 3.716 H B 0549 ALA CB
H B 0549 ALA C 2.471 H B 0550 GLY CA
H B 0549 ALA C 3.591 H B 0550 GLY C
H B 0550 GLY C 2.464 C B 0551 LEU CA
H B 0550 GLY C 3.429 C B 0551 LEU C
H B 0550 GLY C 3.641 C B 0551 LEU CB
C B 0551 LEU C 2.498 C B 0552 THR CA
C B 0551 LEU C 3.205 C B 0552 THR C
C B 0551 LEU C 3.764 C B 0552 THR CB
C B 0552 THR C 2.504 H B 0553 ALA CA
C B 0552 THR C 3.064 H B 0553 ALA C
C B 0552 THR C 3.712 H B 0553 ALA CB
H B 0553 ALA C 2.468 H B 0554 ARG CA
H B 0553 ALA C 3.114 H B 0554 ARG C
H B 0553 ALA C 3.759 H B 0554 ARG CB
H B 0554 ARG C 2.518 H B 0555 GLU CA
H B 0554 ARG C 3.187 H B 0555 GLU C
H B 0554 ARG C 3.785 H B 0555 GLU CB
H B 0555 GLU CA 3.792 H B 0556 ALA CA
H B 0555 GLU C 2.446 H B 0556 ALA CA
H B 0555 GLU C 3.037 H B 0556 ALA C
H B 0555 GLU C 3.738 H B 0556 ALA CB
H B 0556 ALA C 2.463 H B 0557 LYS CA
H B 0556 ALA C 3.112 H B 0557 LYS C
H B 0556 ALA C 3.729 H B 0557 LYS CB
H B 0557 LYS C 2.467 H B 0558 VAL CA
H B 0557 LYS C 3.110 H B 0558 VAL C
H B 0557 LYS CE 3.655 H B 0561 MET CE
H B 0558 VAL C 2.496 H B 0559 LEU CA
H B 0558 VAL C 3.077 H B 0559 LEU C
H B 0559 LEU C 2.464 H B 0560 ARG CA
H B 0559 LEU C 3.254 H B 0560 ARG C
H B 0559 LEU C 3.707 H B 0560 ARG CB
H B 0560 ARG C 2.455 H B 0561 MET CA
H B 0560 ARG C 3.298 H B 0561 MET C
H B 0560 ARG C 3.685 H B 0561 MET CB
H B 0561 MET C 2.487 C B 0562 ARG CA
H B 0561 MET C 3.422 C B 0562 ARG C
H B 0561 MET C 3.658 C B 0562 ARG CB
C B 0562 ARG C 2.477 C B 0563 PHE CA
C B 0562 ARG C 3.254 C B 0563 PHE C
C B 0562 ARG C 3.747 C B 0563 PHE CB
C B 0563 PHE C 2.471 C B 0564 GLY CA
C B 0563 PHE C 3.335 C B 0564 GLY C
C B 0563 PHE CD2 3.470 H B 0590 ILE CD1
C B 0563 PHE CE2 3.608 H B 0590 ILE CD1
C B 0564 GLY C 2.472 C B 0565 ILE CA
C B 0564 GLY C 3.293 C B 0565 ILE C
C B 0564 GLY C 3.671 C B 0565 ILE CB
C B 0565 ILE C 2.457 C B 0566 ASP CA
C B 0565 ILE C 3.301 C B 0566 ASP C
C B 0565 ILE C 3.679 C B 0566 ASP CB
C B 0565 ILE CG2 3.648 C B 0567 MET CE
C B 0565 ILE CD1 3.759 H B 0583 THR CG2
C B 0566 ASP C 2.459 C B 0567 MET CA
C B 0566 ASP C 3.189 C B 0567 MET C
C B 0566 ASP C 3.735 C B 0567 MET CB
C B 0567 MET C 2.456 C B 0568 ASN CA
C B 0567 MET C 3.697 C B 0568 ASN C
C B 0567 MET C 3.046 C B 0568 ASN CB
C B 0568 ASN C 2.505 C B 0569 THR CA
C B 0568 ASN C 3.217 C B 0569 THR C
C B 0568 ASN C 3.735 C B 0569 THR CB
C B 0569 THR C 2.496 C B 0570 ASP CA
C B 0569 THR C 3.106 C B 0570 ASP C
C B 0569 THR C 3.784 C B 0570 ASP CB
C B 0570 ASP C 2.461 C B 0571 TYR CA
C B 0570 ASP C 3.510 C B 0571 TYR C
C B 0570 ASP C 3.513 C B 0571 TYR CB
C B 0570 ASP C 3.753 C B 0571 TYR CG
C B 0570 ASP C 3.799 C B 0571 TYR CD2
C B 0571 TYR C 2.477 C B 0572 THR CA
C B 0571 TYR C 3.383 C B 0572 THR C
C B 0571 TYR C 3.617 C B 0572 THR CB
C B 0572 THR C 2.538 H B 0573 LEU CA
C B 0572 THR C 3.089 H B 0573 LEU C
C B 0572 THR C 3.595 H B 0573 LEU CB
C B 0572 THR C 3.680 H B 0576 VAL CG2
H B 0573 LEU C 2.477 H B 0574 GLU CA
H B 0573 LEU C 3.212 H B 0574 GLU C
H B 0573 LEU C 3.725 H B 0574 GLU CB
H B 0574 GLU C 2.499 H B 0575 GLU CA
H B 0574 GLU C 3.133 H B 0575 GLU C
H B 0574 GLU C 3.792 H B 0575 GLU CB
H B 0575 GLU C 2.499 H B 0576 VAL CA
H B 0575 GLU C 3.008 H B 0576 VAL C
H B 0575 GLU C 3.768 H B 0576 VAL CB
H B 0576 VAL C 2.489 H B 0577 GLY CA
H B 0576 VAL C 3.060 H B 0577 GLY C
H B 0577 GLY C 2.480 H B 0578 LYS CA
H B 0577 GLY C 3.082 H B 0578 LYS C
H B 0578 LYS C 2.451 H B 0579 GLN CA
H B 0578 LYS C 3.123 H B 0579 GLN C
H B 0578 LYS C 3.749 H B 0579 GLN CB
H B 0579 GLN C 2.480 H B 0580 PHE CA
H B 0579 GLN C 3.187 H B 0580 PHE C
H B 0579 GLN C 3.750 H B 0580 PHE CB
H B 0580 PHE C 2.519 H B 0581 ASP CA
H B 0580 PHE C 3.026 H B 0581 ASP C
H B 0580 PHE C 3.654 H B 0581 ASP CB
H B 0581 ASP C 2.477 H B 0582 VAL CA
H B 0581 ASP C 3.136 H B 0582 VAL C
H B 0581 ASP C 3.720 H B 0582 VAL CB
H B 0582 VAL C 2.517 H B 0583 THR CA
H B 0582 VAL C 3.122 H B 0583 THR C
H B 0582 VAL C 3.792 H B 0583 THR CB
H B 0583 THR C 2.464 H B 0584 ARG CA
H B 0583 THR C 3.091 H B 0584 ARG C
H B 0583 THR C 3.759 H B 0584 ARG CB
H B 0584 ARG C 2.467 H B 0585 GLU CA
H B 0584 ARG C 3.031 H B 0585 GLU C
H B 0584 ARG C 3.795 H B 0585 GLU CB
H B 0585 GLU C 2.478 H B 0586 ARG CA
H B 0585 GLU C 3.041 H B 0586 ARG C
H B 0585 GLU C 3.760 H B 0586 ARG CB
H B 0586 ARG C 2.467 H B 0587 ILE CA
H B 0586 ARG C 3.062 H B 0587 ILE C
H B 0586 ARG C 3.747 H B 0587 ILE CB
H B 0587 ILE C 2.488 H B 0588 ARG CA
H B 0587 ILE C 3.175 H B 0588 ARG C
H B 0587 ILE C 3.722 H B 0588 ARG CB
H B 0588 ARG C 2.496 H B 0589 GLN CA
H B 0588 ARG C 3.195 H B 0589 GLN C
H B 0588 ARG C 3.740 H B 0589 GLN CB
H B 0588 ARG CA 3.789 H B 0591 GLU CB
H B 0589 GLN C 2.498 H B 0590 ILE CA
H B 0589 GLN C 3.127 H B 0590 ILE C
H B 0589 GLN C 3.739 H B 0590 ILE CB
H B 0590 ILE C 2.553 H B 0591 GLU CA
H B 0590 ILE C 3.059 H B 0591 GLU C
H B 0591 GLU C 2.507 H B 0592 ALA CA
H B 0591 GLU C 3.034 H B 0592 ALA C
H B 0591 GLU C 3.734 H B 0592 ALA CB
H B 0592 ALA C 2.469 H B 0593 LYS CA
H B 0592 ALA C 3.161 H B 0593 LYS C
H B 0592 ALA C 3.731 H B 0593 LYS CB
H B 0593 LYS C 2.480 H B 0594 ALA CA
H B 0593 LYS C 3.211 H B 0594 ALA C
H B 0593 LYS C 3.732 H B 0594 ALA CB
H B 0594 ALA C 2.475 H B 0595 LEU CA
H B 0594 ALA C 3.240 H B 0595 LEU C
H B 0594 ALA C 3.743 H B 0595 LEU CB
H B 0595 LEU C 2.502 H B 0596 ARG CA
H B 0595 LEU C 3.329 H B 0596 ARG C
H B 0595 LEU C 3.723 H B 0596 ARG CB
H B 0596 ARG C 2.448 C B 0597 LYS CA
H B 0596 ARG C 3.155 C B 0597 LYS C
H B 0596 ARG C 3.727 C B 0597 LYS CB
C B 0597 LYS C 2.462 C B 0598 LEU CA
C B 0597 LYS C 3.238 C B 0598 LEU C
C B 0597 LYS C 3.704 C B 0598 LEU CB
C B 0598 LEU C 2.518 C B 0599 ARG CA
C B 0598 LEU C 3.274 C B 0599 ARG C
C B 0598 LEU C 3.712 C B 0599 ARG CB
C B 0599 ARG C 2.447 C B 0600 HIS CA
C B 0599 ARG C 3.160 C B 0600 HIS C
C B 0599 ARG C 3.749 C B 0600 HIS CB
C B 0600 HIS CA 2.998 C B 0601 PRO CD
C B 0600 HIS C 2.450 C B 0601 PRO CA
C B 0600 HIS C 3.183 C B 0601 PRO C
C B 0600 HIS C 3.640 C B 0601 PRO CB
C B 0600 HIS C 3.560 C B 0601 PRO CG
C B 0600 HIS C 2.468 C B 0601 PRO CD
C B 0601 PRO C 2.464 C B 0602 SER CA
C B 0601 PRO C 3.478 C B 0602 SER C
C B 0601 PRO C 3.561 C B 0602 SER CB
C B 0602 SER C 2.456 C B 0603 ARG CA
C B 0602 SER C 3.338 C B 0603 ARG C
C B 0602 SER C 3.672 C B 0603 ARG CB
C B 0603 ARG C 2.463 C B 0604 SER CA
C B 0603 ARG C 3.206 C B 0604 SER C
C B 0603 ARG C 3.718 C B 0604 SER CB
C B 0604 SER C 2.456 C B 0605 GLU CA
C B 0604 SER C 3.666 C B 0605 GLU C
C B 0604 SER C 3.249 C B 0605 GLU CB
C B 0604 SER C 3.627 C B 0605 GLU CD
C B 0604 SER CB 3.610 C B 0605 GLU CD
C B 0605 GLU C 2.469 C B 0606 VAL CA
C B 0605 GLU C 3.646 C B 0606 VAL C
C B 0605 GLU C 3.257 C B 0606 VAL CB
C B 0606 VAL C 2.460 C B 0607 LEU CA
C B 0606 VAL C 3.331 C B 0607 LEU C
C B 0606 VAL C 3.677 C B 0607 LEU CB
C B 0607 LEU C 2.481 C B 0608 ARG CA
C B 0607 LEU C 3.254 C B 0608 ARG C
C B 0607 LEU C 3.738 C B 0608 ARG CB
C B 0608 ARG C 2.496 C B 0609 SER CA
C B 0608 ARG C 3.509 C B 0609 SER C
C B 0608 ARG C 3.606 C B 0609 SER CB
C B 0609 SER C 2.475 C B 0610 PHE CA
C B 0609 SER C 3.222 C B 0610 PHE C
C B 0609 SER C 3.788 C B 0610 PHE CB
C B 0610 PHE C 2.440 C B 0611 LEU CA
C B 0610 PHE C 3.362 C B 0611 LEU C
C B 0610 PHE C 3.622 C B 0611 LEU CB
C B 0611 LEU C 2.476 C B 0612 ASP CA
C B 0611 LEU C 3.126 C B 0612 ASP C
C B 0611 LEU C 3.798 C B 0612 ASP CB
C B 0612 ASP C 2.446 C B 0613 ASP CA
C B 0612 ASP C 3.115 C B 0613 ASP C
C B 0612 ASP C 3.741 C B 0613 ASP CB
CHARGE_ATTR 2.00 12.00 52
H B 0546 ASP OD1 10.74 H B 0560 ARG NH1
H B 0546 ASP OD2 9.842 H B 0560 ARG NH1
H B 0546 ASP OD2 11.12 H B 0560 ARG NH2
H B 0555 GLU OE1 10.45 H B 0554 ARG NH1
H B 0555 GLU OE1 11.70 H B 0554 ARG NH2
H B 0555 GLU OE2 9.702 H B 0554 ARG NH1
H B 0555 GLU OE2 10.58 H B 0554 ARG NH2
C B 0566 ASP OD1 7.004 H B 0560 ARG NH1
C B 0566 ASP OD1 7.959 H B 0560 ARG NH2
C B 0566 ASP OD2 8.848 H B 0560 ARG NH1
C B 0566 ASP OD2 10.03 H B 0560 ARG NH2
C B 0566 ASP OD1 9.930 H B 0586 ARG NH1
C B 0566 ASP OD1 9.067 H B 0586 ARG NH2
C B 0566 ASP OD2 8.733 H B 0586 ARG NH1
C B 0566 ASP OD2 8.174 H B 0586 ARG NH2
H B 0574 GLU OE1 7.529 H B 0578 LYS NZ
H B 0574 GLU OE2 7.528 H B 0578 LYS NZ
H B 0575 GLU OE1 3.503 H B 0578 LYS NZ
H B 0575 GLU OE2 2.641 H B 0578 LYS NZ
H B 0581 ASP OD1 10.66 H B 0578 LYS NZ
H B 0581 ASP OD2 10.76 H B 0578 LYS NZ
H B 0581 ASP OD1 7.801 H B 0584 ARG NH1
H B 0581 ASP OD1 5.713 H B 0584 ARG NH2
H B 0581 ASP OD2 6.914 H B 0584 ARG NH1
H B 0581 ASP OD2 4.935 H B 0584 ARG NH2
H B 0581 ASP OD1 11.70 H B 0586 ARG NH1
H B 0581 ASP OD1 10.79 H B 0588 ARG NH1
H B 0585 GLU OE1 9.137 H B 0584 ARG NH1
H B 0585 GLU OE1 7.156 H B 0584 ARG NH2
H B 0585 GLU OE2 10.41 H B 0584 ARG NH1
H B 0585 GLU OE2 8.616 H B 0584 ARG NH2
H B 0585 GLU OE1 10.42 H B 0586 ARG NH1
H B 0585 GLU OE2 10.62 H B 0586 ARG NH1
H B 0585 GLU OE1 6.425 H B 0588 ARG NH1
H B 0585 GLU OE1 8.405 H B 0588 ARG NH2
H B 0585 GLU OE2 4.438 H B 0588 ARG NH1
H B 0585 GLU OE2 6.580 H B 0588 ARG NH2
H B 0585 GLU OE2 11.41 H B 0593 LYS NZ
H B 0591 GLU OE1 6.717 H B 0588 ARG NH1
H B 0591 GLU OE1 5.936 H B 0588 ARG NH2
H B 0591 GLU OE2 8.659 H B 0588 ARG NH1
H B 0591 GLU OE2 7.719 H B 0588 ARG NH2
H B 0591 GLU OE1 11.79 H B 0593 LYS NZ
H B 0591 GLU OE1 11.17 H B 0596 ARG NH1
H B 0591 GLU OE1 10.02 H B 0596 ARG NH2
H B 0591 GLU OE2 11.64 H B 0596 ARG NH2
H B 0591 GLU OE1 11.65 C B 0603 ARG NH1
H B 0591 GLU OE1 11.79 C B 0603 ARG NH2
H B 0591 GLU OE2 11.59 C B 0603 ARG NH1
H B 0591 GLU OE2 11.84 C B 0603 ARG NH2
C B 0605 GLU OE1 11.17 C B 0608 ARG NH2
C B 0605 GLU OE2 11.84 C B 0608 ARG NH2
CHARGE_REPU 2.00 12.00 64
H B 0546 ASP OD1 11.30 H B 0555 GLU OE1
H B 0546 ASP OD1 9.777 H B 0555 GLU OE2
H B 0546 ASP OD2 10.18 H B 0555 GLU OE1
H B 0546 ASP OD2 8.494 H B 0555 GLU OE2
H B 0546 ASP OD1 11.93 C B 0570 ASP OD1
H B 0554 ARG NH1 10.44 H B 0557 LYS NZ
H B 0554 ARG NH2 10.12 H B 0557 LYS NZ
H B 0557 LYS NZ 8.344 H B 0560 ARG NH1
H B 0557 LYS NZ 6.516 H B 0560 ARG NH2
H B 0557 LYS NZ 11.68 C B 0562 ARG NH1
H B 0557 LYS NZ 10.02 C B 0562 ARG NH2
C B 0570 ASP OD1 10.43 H B 0575 GLU OE1
C B 0570 ASP OD1 11.10 H B 0575 GLU OE2
C B 0570 ASP OD2 9.533 H B 0575 GLU OE1
C B 0570 ASP OD2 10.32 H B 0575 GLU OE2
H B 0574 GLU OE1 8.405 H B 0575 GLU OE1
H B 0574 GLU OE1 6.463 H B 0575 GLU OE2
H B 0574 GLU OE2 9.257 H B 0575 GLU OE1
H B 0574 GLU OE2 7.221 H B 0575 GLU OE2
H B 0581 ASP OD1 4.602 H B 0585 GLU OE1
H B 0581 ASP OD1 6.813 H B 0585 GLU OE2
H B 0581 ASP OD2 6.391 H B 0585 GLU OE1
H B 0581 ASP OD2 8.529 H B 0585 GLU OE2
H B 0584 ARG NH1 11.92 H B 0588 ARG NH1
H B 0584 ARG NH2 10.68 H B 0588 ARG NH1
H B 0584 ARG NH2 11.54 H B 0588 ARG NH2
H B 0585 GLU OE1 11.26 H B 0591 GLU OE1
H B 0585 GLU OE2 9.896 H B 0591 GLU OE1
H B 0585 GLU OE2 11.61 H B 0591 GLU OE2
H B 0586 ARG NH1 7.571 H B 0593 LYS NZ
H B 0586 ARG NH2 7.242 H B 0593 LYS NZ
H B 0588 ARG NH1 11.35 H B 0593 LYS NZ
H B 0588 ARG NH1 10.57 H B 0596 ARG NH2
H B 0588 ARG NH2 10.16 H B 0596 ARG NH2
H B 0591 GLU OE2 11.64 C B 0605 GLU OE2
H B 0591 GLU OE2 11.83 C B 0613 ASP OD2
H B 0593 LYS NZ 11.77 H B 0596 ARG NH1
H B 0593 LYS NZ 10.45 H B 0596 ARG NH2
H B 0596 ARG NH1 10.98 C B 0599 ARG NH2
H B 0596 ARG NH1 8.748 C B 0603 ARG NH1
H B 0596 ARG NH1 7.607 C B 0603 ARG NH2
H B 0596 ARG NH2 9.899 C B 0603 ARG NH1
H B 0596 ARG NH2 9.087 C B 0603 ARG NH2
C B 0597 LYS NZ 6.938 C B 0599 ARG NH1
C B 0597 LYS NZ 5.910 C B 0599 ARG NH2
C B 0597 LYS NZ 11.69 C B 0600 HIS NE2
C B 0599 ARG NH1 7.200 C B 0600 HIS ND1
C B 0599 ARG NH1 6.076 C B 0600 HIS NE2
C B 0599 ARG NH2 9.122 C B 0600 HIS ND1
C B 0599 ARG NH2 8.220 C B 0600 HIS NE2
C B 0599 ARG NH1 11.90 C B 0603 ARG NH2
C B 0599 ARG NH2 11.90 C B 0603 ARG NH2
C B 0600 HIS ND1 11.90 C B 0603 ARG NH1
C B 0600 HIS ND1 10.16 C B 0603 ARG NH2
C B 0600 HIS NE2 11.40 C B 0603 ARG NH2
C B 0603 ARG NH1 9.521 C B 0608 ARG NH1
C B 0603 ARG NH1 7.606 C B 0608 ARG NH2
C B 0603 ARG NH2 11.71 C B 0608 ARG NH1
C B 0603 ARG NH2 9.781 C B 0608 ARG NH2
C B 0605 GLU OE2 11.49 C B 0613 ASP OD1
C B 0612 ASP OD1 8.196 C B 0613 ASP OD1
C B 0612 ASP OD1 7.618 C B 0613 ASP OD2
C B 0612 ASP OD2 7.174 C B 0613 ASP OD1
C B 0612 ASP OD2 6.293 C B 0613 ASP OD2
HB_MM 2.00 3.20 106
H B 0547 VAL N 2.252 H B 0546 ASP O
H B 0548 LEU N 2.247 H B 0547 VAL O
H B 0549 ALA N 2.250 H B 0548 LEU O
H B 0550 GLY N 2.851 H B 0546 ASP O
H B 0550 GLY N 2.251 H B 0549 ALA O
C B 0551 LEU N 3.192 H B 0546 ASP O
C B 0551 LEU N 2.253 H B 0550 GLY O
C B 0552 THR N 2.246 C B 0551 LEU O
H B 0553 ALA N 2.239 C B 0552 THR O
H B 0554 ARG N 3.068 C B 0552 THR O
H B 0554 ARG N 2.245 H B 0553 ALA O
H B 0555 GLU N 2.857 C B 0552 THR O
H B 0555 GLU N 2.266 H B 0554 ARG O
H B 0556 ALA N 3.073 C B 0552 THR O
H B 0556 ALA N 2.244 H B 0555 GLU O
H B 0557 LYS N 3.102 H B 0553 ALA O
H B 0557 LYS N 2.249 H B 0556 ALA O
H B 0558 VAL N 2.929 H B 0554 ARG O
H B 0558 VAL N 2.241 H B 0557 LYS O
H B 0559 LEU N 3.148 H B 0555 GLU O
H B 0559 LEU N 2.258 H B 0558 VAL O
H B 0560 ARG N 2.233 H B 0559 LEU O
H B 0561 MET N 2.889 H B 0557 LYS O
H B 0561 MET N 2.236 H B 0560 ARG O
C B 0562 ARG N 2.850 H B 0558 VAL O
C B 0562 ARG N 2.257 H B 0561 MET O
C B 0563 PHE N 2.986 H B 0559 LEU O
C B 0563 PHE N 2.256 C B 0562 ARG O
C B 0564 GLY N 2.919 H B 0559 LEU O
C B 0564 GLY N 2.239 C B 0563 PHE O
C B 0565 ILE N 2.254 C B 0564 GLY O
C B 0566 ASP N 2.235 C B 0565 ILE O
C B 0567 MET N 2.248 C B 0566 ASP O
C B 0568 ASN N 2.249 C B 0567 MET O
C B 0569 THR N 2.241 C B 0568 ASN O
C B 0570 ASP N 2.245 C B 0569 THR O
C B 0571 TYR N 2.250 C B 0570 ASP O
C B 0572 THR N 2.234 C B 0571 TYR O
H B 0573 LEU N 2.267 C B 0572 THR O
H B 0574 GLU N 2.938 C B 0572 THR O
H B 0574 GLU N 2.250 H B 0573 LEU O
H B 0575 GLU N 2.813 C B 0572 THR O
H B 0575 GLU N 2.249 H B 0574 GLU O
H B 0576 VAL N 2.976 C B 0572 THR O
H B 0576 VAL N 2.258 H B 0575 GLU O
H B 0577 GLY N 2.912 H B 0573 LEU O
H B 0577 GLY N 2.263 H B 0576 VAL O
H B 0578 LYS N 3.008 H B 0574 GLU O
H B 0578 LYS N 3.198 H B 0575 GLU O
H B 0578 LYS N 2.271 H B 0577 GLY O
H B 0579 GLN N 2.839 H B 0575 GLU O
H B 0579 GLN N 2.231 H B 0578 LYS O
H B 0580 PHE N 2.929 H B 0576 VAL O
H B 0580 PHE N 2.236 H B 0579 GLN O
H B 0581 ASP N 2.250 H B 0580 PHE O
H B 0582 VAL N 3.060 H B 0578 LYS O
H B 0582 VAL N 2.249 H B 0581 ASP O
H B 0583 THR N 2.854 H B 0579 GLN O
H B 0583 THR N 2.236 H B 0582 VAL O
H B 0584 ARG N 2.762 H B 0580 PHE O
H B 0584 ARG N 2.235 H B 0583 THR O
H B 0585 GLU N 2.945 H B 0581 ASP O
H B 0585 GLU N 2.250 H B 0584 ARG O
H B 0586 ARG N 2.781 H B 0582 VAL O
H B 0586 ARG N 2.250 H B 0585 GLU O
H B 0587 ILE N 2.955 H B 0584 ARG O
H B 0587 ILE N 2.241 H B 0586 ARG O
H B 0588 ARG N 2.966 H B 0585 GLU O
H B 0588 ARG N 2.228 H B 0587 ILE O
H B 0589 GLN N 3.017 H B 0585 GLU O
H B 0589 GLN N 2.239 H B 0588 ARG O
H B 0590 ILE N 2.907 H B 0586 ARG O
H B 0590 ILE N 3.124 H B 0587 ILE O
H B 0590 ILE N 2.228 H B 0589 GLN O
H B 0591 GLU N 2.833 H B 0587 ILE O
H B 0591 GLU N 2.267 H B 0590 ILE O
H B 0592 ALA N 2.266 H B 0591 GLU O
H B 0593 LYS N 3.060 H B 0590 ILE O
H B 0593 LYS N 2.252 H B 0592 ALA O
H B 0594 ALA N 2.915 H B 0590 ILE O
H B 0594 ALA N 3.104 H B 0591 GLU O
H B 0594 ALA N 2.248 H B 0593 LYS O
H B 0595 LEU N 2.889 H B 0591 GLU O
H B 0595 LEU N 2.239 H B 0594 ALA O
H B 0596 ARG N 2.242 H B 0595 LEU O
C B 0597 LYS N 2.972 H B 0594 ALA O
C B 0597 LYS N 2.222 H B 0596 ARG O
C B 0598 LEU N 3.094 H B 0594 ALA O
C B 0598 LEU N 2.246 C B 0597 LYS O
C B 0599 ARG N 3.098 C B 0597 LYS O
C B 0599 ARG N 2.247 C B 0598 LEU O
C B 0600 HIS N 2.245 C B 0599 ARG O
C B 0601 PRO N 2.224 C B 0600 HIS O
C B 0602 SER N 2.898 C B 0600 HIS O
C B 0602 SER N 2.244 C B 0601 PRO O
C B 0603 ARG N 2.246 C B 0602 SER O
C B 0604 SER N 2.245 C B 0603 ARG O
C B 0605 GLU N 2.244 C B 0604 SER O
C B 0606 VAL N 2.248 C B 0605 GLU O
C B 0607 LEU N 2.232 C B 0606 VAL O
C B 0608 ARG N 2.261 C B 0607 LEU O
C B 0609 SER N 2.245 C B 0608 ARG O
C B 0610 PHE N 2.229 C B 0609 SER O
C B 0611 LEU N 2.216 C B 0610 PHE O
C B 0612 ASP N 2.250 C B 0611 LEU O
C B 0613 ASP N 2.234 C B 0612 ASP O
HB_MS 2.00 3.20 7
C B 0552 THR N 2.784 H B 0555 GLU OE2
C B 0563 PHE O 2.853 H B 0586 ARG NH2
C B 0566 ASP O 3.043 C B 0571 TYR OH
C B 0567 MET O 2.773 H B 0560 ARG NH1
H B 0579 GLN O 2.625 H B 0583 THR OG1
C B 0605 GLU N 2.974 C B 0604 SER OG
C B 0610 PHE N 2.906 C B 0609 SER OG
HB_SS 2.00 3.20 3
H B 0555 GLU OE2 2.653 C B 0552 THR OG1
H B 0579 GLN NE2 2.990 C B 0571 TYR OH
C B 0605 GLU OE2 2.671 C B 0604 SER OG
AROMATIC 0.00 8.00 1
H B 0584 ARG 7.222 H B 0580 PHE