Complet list of 1rrz con file
Complete list of 1rrz.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 342
C A 0001 MET C 2.430 C A 0002 ASP CA
C A 0001 MET C 3.572 C A 0002 ASP C
C A 0001 MET C 3.316 C A 0002 ASP CB
C A 0001 MET CB 3.411 H A 0006 ASN CG
C A 0002 ASP C 2.440 C A 0003 HIS CA
C A 0002 ASP C 3.140 C A 0003 HIS C
C A 0002 ASP C 3.647 C A 0003 HIS CB
C A 0002 ASP CB 3.585 C A 0005 LEU CB
C A 0003 HIS C 2.437 C A 0004 SER CA
C A 0003 HIS C 3.352 C A 0004 SER C
C A 0003 HIS C 3.552 C A 0004 SER CB
C A 0003 HIS CA 3.472 H A 0007 SER CB
C A 0003 HIS C 3.705 H A 0007 SER CB
C A 0004 SER C 2.433 C A 0005 LEU CA
C A 0004 SER C 3.357 C A 0005 LEU C
C A 0004 SER C 3.546 C A 0005 LEU CB
C A 0004 SER C 3.632 C A 0005 LEU CD2
C A 0004 SER CA 3.548 H A 0008 LEU CB
C A 0004 SER C 3.382 H A 0008 LEU CB
C A 0005 LEU C 2.437 H A 0006 ASN CA
C A 0005 LEU C 3.297 H A 0006 ASN C
C A 0005 LEU C 3.582 H A 0006 ASN CB
H A 0006 ASN C 2.438 H A 0007 SER CA
H A 0006 ASN C 3.066 H A 0007 SER C
H A 0006 ASN C 3.654 H A 0007 SER CB
H A 0007 SER C 2.438 H A 0008 LEU CA
H A 0007 SER C 3.063 H A 0008 LEU C
H A 0007 SER C 3.655 H A 0008 LEU CB
H A 0008 LEU C 2.439 H A 0009 ASN CA
H A 0008 LEU C 2.973 H A 0009 ASN C
H A 0008 LEU C 3.661 H A 0009 ASN CB
H A 0009 ASN C 2.435 H A 0010 ASN CA
H A 0009 ASN C 3.057 H A 0010 ASN C
H A 0009 ASN C 3.654 H A 0010 ASN CB
H A 0010 ASN C 2.444 H A 0011 PHE CA
H A 0010 ASN C 2.975 H A 0011 PHE C
H A 0010 ASN C 3.660 H A 0011 PHE CB
H A 0010 ASN CA 3.686 H A 0013 PHE CD2
H A 0011 PHE C 2.441 H A 0012 ASP CA
H A 0011 PHE C 3.144 H A 0012 ASP C
H A 0011 PHE C 3.644 H A 0012 ASP CB
H A 0011 PHE CE2 3.380 H A 0033 VAL CA
H A 0011 PHE CE2 3.658 H A 0033 VAL C
H A 0011 PHE CZ 3.735 H A 0033 VAL CA
H A 0011 PHE CZ 3.461 H A 0033 VAL CG1
H A 0012 ASP C 2.440 H A 0013 PHE CA
H A 0012 ASP C 3.020 H A 0013 PHE C
H A 0012 ASP C 3.667 H A 0013 PHE CB
H A 0013 PHE C 2.418 H A 0014 LEU CA
H A 0013 PHE C 3.125 H A 0014 LEU C
H A 0013 PHE C 3.640 H A 0014 LEU CB
H A 0013 PHE CE1 3.754 H A 0014 LEU CD2
H A 0013 PHE CE2 3.177 H A 0014 LEU CD2
H A 0013 PHE CZ 3.016 H A 0014 LEU CD2
H A 0013 PHE C 3.783 H A 0016 ARG CD
H A 0014 LEU C 2.434 H A 0015 ALA CA
H A 0014 LEU C 2.901 H A 0015 ALA C
H A 0014 LEU C 3.660 H A 0015 ALA CB
H A 0014 LEU CD1 3.475 H A 0017 SER CB
H A 0014 LEU C 3.217 H A 0018 PHE CD2
H A 0014 LEU CB 3.478 H A 0018 PHE CD2
H A 0014 LEU CB 3.247 H A 0018 PHE CE2
H A 0014 LEU CG 3.635 H A 0018 PHE CD2
H A 0014 LEU CG 3.290 H A 0018 PHE CE2
H A 0014 LEU CG 3.733 H A 0018 PHE CZ
H A 0014 LEU CD1 3.766 H A 0018 PHE CG
H A 0014 LEU CD1 3.517 H A 0018 PHE CD2
H A 0014 LEU CD1 3.686 H A 0018 PHE CE2
H A 0014 LEU CD1 3.214 C A 0028 VAL CG1
H A 0015 ALA C 2.433 H A 0016 ARG CA
H A 0015 ALA C 3.077 H A 0016 ARG C
H A 0015 ALA C 3.665 H A 0016 ARG CB
H A 0016 ARG C 2.438 H A 0017 SER CA
H A 0016 ARG C 3.192 H A 0017 SER C
H A 0016 ARG C 3.631 H A 0017 SER CB
H A 0017 SER C 2.443 H A 0018 PHE CA
H A 0017 SER C 2.972 H A 0018 PHE C
H A 0017 SER C 3.672 H A 0018 PHE CB
H A 0018 PHE C 2.442 H A 0019 ALA CA
H A 0018 PHE C 3.096 H A 0019 ALA C
H A 0018 PHE C 3.653 H A 0019 ALA CB
H A 0018 PHE CG 3.720 C A 0028 VAL CG1
H A 0018 PHE CD1 3.721 C A 0028 VAL CB
H A 0018 PHE CD1 3.007 C A 0028 VAL CG1
H A 0018 PHE CE1 3.646 C A 0028 VAL CB
H A 0018 PHE CE1 3.135 C A 0028 VAL CG1
H A 0018 PHE CE1 3.673 H A 0029 ASP C
H A 0018 PHE CZ 3.498 H A 0029 ASP C
H A 0018 PHE CD1 3.253 H A 0030 ILE CD1
H A 0018 PHE CE1 3.565 H A 0030 ILE CA
H A 0018 PHE CE1 3.634 H A 0030 ILE CG1
H A 0018 PHE CE1 2.999 H A 0030 ILE CD1
H A 0018 PHE CZ 3.701 H A 0030 ILE CA
H A 0018 PHE CD2 3.659 H A 0033 VAL CG2
H A 0018 PHE CE2 2.913 H A 0033 VAL CG2
H A 0018 PHE CZ 3.297 H A 0033 VAL CG2
H A 0018 PHE CB 3.601 H A 0044 TRP CZ2
H A 0018 PHE CB 3.753 H A 0044 TRP CH2
H A 0019 ALA C 2.443 H A 0020 ARG CA
H A 0019 ALA C 3.062 H A 0020 ARG C
H A 0019 ALA C 3.659 H A 0020 ARG CB
H A 0020 ARG C 2.445 H A 0021 MET CA
H A 0020 ARG C 3.082 H A 0021 MET C
H A 0020 ARG C 3.655 H A 0021 MET CB
H A 0021 MET C 2.442 H A 0022 HIS CA
H A 0021 MET C 3.042 H A 0022 HIS C
H A 0021 MET C 3.659 H A 0022 HIS CB
H A 0021 MET CB 3.155 C A 0028 VAL CG2
H A 0022 HIS C 2.438 H A 0023 ALA CA
H A 0022 HIS C 3.204 H A 0023 ALA C
H A 0022 HIS C 3.619 H A 0023 ALA CB
H A 0022 HIS CE1 3.623 H A 0048 ARG CD
H A 0022 HIS CE1 3.643 H A 0048 ARG CZ
H A 0022 HIS CA 3.478 H A 0051 TRP CE2
H A 0022 HIS CA 3.791 H A 0051 TRP CZ2
H A 0022 HIS CE1 3.476 H A 0051 TRP CB
H A 0022 HIS CE1 3.465 H A 0051 TRP CG
H A 0022 HIS CE1 3.697 H A 0051 TRP CD2
H A 0023 ALA C 2.441 H A 0024 GLU CA
H A 0023 ALA C 3.151 H A 0024 GLU C
H A 0023 ALA C 3.642 H A 0024 GLU CB
H A 0024 GLU C 2.437 H A 0025 GLY CA
H A 0024 GLU C 3.169 H A 0025 GLY C
H A 0024 GLU CD 3.723 C A 0026 ARG CZ
H A 0025 GLY C 2.439 C A 0026 ARG CA
H A 0025 GLY C 3.384 C A 0026 ARG C
H A 0025 GLY C 3.519 C A 0026 ARG CB
C A 0026 ARG CA 2.881 C A 0027 PRO CD
C A 0026 ARG C 2.438 C A 0027 PRO CA
C A 0026 ARG C 3.091 C A 0027 PRO C
C A 0026 ARG C 3.622 C A 0027 PRO CB
C A 0026 ARG C 3.627 C A 0027 PRO CG
C A 0026 ARG C 2.496 C A 0027 PRO CD
C A 0026 ARG CB 3.424 C A 0027 PRO CD
C A 0026 ARG C 3.629 H A 0055 GLN CD
C A 0027 PRO C 2.451 C A 0028 VAL CA
C A 0027 PRO C 3.565 C A 0028 VAL C
C A 0027 PRO C 3.350 C A 0028 VAL CB
C A 0027 PRO C 3.121 C A 0028 VAL CG2
C A 0027 PRO CD 3.787 H A 0059 ALA CB
C A 0027 PRO CB 3.784 C A 0065 GLU CA
C A 0028 VAL C 2.424 H A 0029 ASP CA
C A 0028 VAL C 3.102 H A 0029 ASP C
C A 0028 VAL C 3.635 H A 0029 ASP CB
C A 0028 VAL CB 3.430 H A 0051 TRP CH2
C A 0028 VAL CG2 3.033 H A 0051 TRP CZ2
C A 0028 VAL CG2 3.194 H A 0051 TRP CH2
C A 0028 VAL CA 3.748 C A 0065 GLU CG
C A 0028 VAL C 3.446 C A 0065 GLU CG
C A 0028 VAL C 3.516 C A 0065 GLU CD
H A 0029 ASP C 2.423 H A 0030 ILE CA
H A 0029 ASP C 3.003 H A 0030 ILE C
H A 0029 ASP C 3.662 H A 0030 ILE CB
H A 0029 ASP CA 3.705 C A 0065 GLU CG
H A 0029 ASP CA 3.734 C A 0065 GLU CD
H A 0029 ASP CB 3.755 C A 0065 GLU CG
H A 0030 ILE C 2.444 H A 0031 LEU CA
H A 0030 ILE C 2.903 H A 0031 LEU C
H A 0030 ILE C 3.660 H A 0031 LEU CB
H A 0030 ILE C 3.416 H A 0034 THR CG2
H A 0030 ILE CG2 3.571 H A 0034 THR CG2
H A 0030 ILE CB 3.718 H A 0045 PHE CZ
H A 0030 ILE CG2 3.777 H A 0045 PHE CG
H A 0030 ILE CG2 3.520 H A 0045 PHE CD1
H A 0030 ILE CG2 3.689 H A 0045 PHE CD2
H A 0030 ILE CG2 3.149 H A 0045 PHE CE1
H A 0030 ILE CG2 3.337 H A 0045 PHE CE2
H A 0030 ILE CG2 3.048 H A 0045 PHE CZ
H A 0030 ILE CG1 3.544 H A 0051 TRP CZ3
H A 0030 ILE CD1 3.345 H A 0051 TRP CZ3
H A 0031 LEU C 2.434 H A 0032 ALA CA
H A 0031 LEU C 2.912 H A 0032 ALA C
H A 0031 LEU C 3.640 H A 0032 ALA CB
H A 0031 LEU CD1 3.687 H A 0032 ALA CA
H A 0031 LEU CA 3.520 H A 0034 THR CG2
H A 0032 ALA C 2.446 H A 0033 VAL CA
H A 0032 ALA C 3.170 H A 0033 VAL C
H A 0032 ALA C 3.631 H A 0033 VAL CB
H A 0033 VAL C 2.438 H A 0034 THR CA
H A 0033 VAL C 3.206 H A 0034 THR C
H A 0033 VAL C 3.644 H A 0034 THR CB
H A 0033 VAL C 3.744 H A 0034 THR CG2
H A 0033 VAL CG1 3.435 H A 0041 HIS CE1
H A 0034 THR C 2.444 H A 0035 GLY CA
H A 0034 THR C 2.953 H A 0035 GLY C
H A 0034 THR CG2 3.469 H A 0041 HIS CE1
H A 0034 THR CG2 3.796 H A 0045 PHE CD2
H A 0034 THR CG2 3.516 H A 0045 PHE CE2
H A 0035 GLY C 2.435 H A 0036 ASN CA
H A 0035 GLY C 3.118 H A 0036 ASN C
H A 0035 GLY C 3.642 H A 0036 ASN CB
H A 0036 ASN C 2.459 H A 0037 MET CA
H A 0036 ASN C 3.068 H A 0037 MET C
H A 0036 ASN C 2.885 H A 0037 MET CB
H A 0037 MET C 2.432 C A 0038 ASP CA
H A 0037 MET C 3.475 C A 0038 ASP C
H A 0037 MET C 3.435 C A 0038 ASP CB
C A 0038 ASP C 2.442 C A 0039 GLU CA
C A 0038 ASP C 3.001 C A 0039 GLU C
C A 0038 ASP C 3.664 C A 0039 GLU CB
C A 0038 ASP C 3.799 H A 0041 HIS CB
C A 0038 ASP CB 3.597 H A 0041 HIS CB
C A 0039 GLU C 2.436 H A 0040 GLU CA
C A 0039 GLU C 3.110 H A 0040 GLU C
C A 0039 GLU C 3.647 H A 0040 GLU CB
C A 0039 GLU CA 3.689 H A 0042 ARG CD
H A 0040 GLU C 2.445 H A 0041 HIS CA
H A 0040 GLU C 3.064 H A 0041 HIS C
H A 0040 GLU C 3.661 H A 0041 HIS CB
H A 0041 HIS C 2.443 H A 0042 ARG CA
H A 0041 HIS C 2.984 H A 0042 ARG C
H A 0041 HIS C 3.668 H A 0042 ARG CB
H A 0041 HIS CA 3.600 H A 0044 TRP CB
H A 0041 HIS C 3.729 H A 0044 TRP CB
H A 0041 HIS CE1 3.784 H A 0045 PHE CB
H A 0041 HIS CE1 3.725 H A 0045 PHE CD2
H A 0042 ARG C 2.437 H A 0043 THR CA
H A 0042 ARG C 3.033 H A 0043 THR C
H A 0042 ARG C 3.669 H A 0043 THR CB
H A 0043 THR C 2.440 H A 0044 TRP CA
H A 0043 THR C 2.989 H A 0044 TRP C
H A 0043 THR C 3.666 H A 0044 TRP CB
H A 0044 TRP C 2.426 H A 0045 PHE CA
H A 0044 TRP C 3.045 H A 0045 PHE C
H A 0044 TRP C 3.677 H A 0045 PHE CB
H A 0044 TRP CD1 3.677 H A 0045 PHE CA
H A 0044 TRP CD2 3.614 H A 0048 ARG CD
H A 0044 TRP CE2 3.599 H A 0048 ARG CG
H A 0044 TRP CE2 3.611 H A 0048 ARG CD
H A 0044 TRP CE3 3.662 H A 0048 ARG CZ
H A 0044 TRP CZ2 3.781 H A 0048 ARG CG
H A 0044 TRP CZ3 3.444 H A 0048 ARG CZ
H A 0045 PHE C 2.420 H A 0046 CYS CA
H A 0045 PHE C 2.907 H A 0046 CYS C
H A 0045 PHE C 3.652 H A 0046 CYS CB
H A 0045 PHE CA 3.670 H A 0048 ARG CB
H A 0045 PHE CD1 3.586 H A 0048 ARG C
H A 0045 PHE CE1 3.784 H A 0048 ARG C
H A 0045 PHE C 3.384 H A 0049 TYR CD2
H A 0045 PHE CB 3.754 H A 0049 TYR CD2
H A 0045 PHE CB 3.771 H A 0049 TYR CE2
H A 0045 PHE CG 3.431 H A 0049 TYR CD2
H A 0045 PHE CG 3.378 H A 0049 TYR CE2
H A 0045 PHE CG 3.735 H A 0049 TYR CZ
H A 0045 PHE CD1 3.560 H A 0049 TYR CA
H A 0045 PHE CD1 3.401 H A 0049 TYR CG
H A 0045 PHE CD1 3.689 H A 0049 TYR CD1
H A 0045 PHE CD1 3.507 H A 0049 TYR CD2
H A 0045 PHE CD2 3.760 H A 0049 TYR CE1
H A 0045 PHE CD2 3.367 H A 0049 TYR CE2
H A 0045 PHE CD2 3.279 H A 0049 TYR CZ
H A 0045 PHE CE1 3.470 H A 0049 TYR CA
H A 0045 PHE CE1 3.539 H A 0049 TYR CG
H A 0045 PHE CE1 3.311 H A 0049 TYR CD1
H A 0045 PHE CE1 3.636 H A 0049 TYR CE1
H A 0045 PHE CE2 3.310 H A 0049 TYR CE1
H A 0045 PHE CE2 3.272 H A 0049 TYR CZ
H A 0045 PHE CZ 3.444 H A 0049 TYR CD1
H A 0045 PHE CZ 3.244 H A 0049 TYR CE1
H A 0045 PHE CZ 3.726 H A 0049 TYR CZ
H A 0046 CYS C 2.441 H A 0047 ALA CA
H A 0046 CYS C 3.130 H A 0047 ALA C
H A 0046 CYS C 3.642 H A 0047 ALA CB
H A 0047 ALA C 2.444 H A 0048 ARG CA
H A 0047 ALA C 3.249 H A 0048 ARG C
H A 0047 ALA C 3.615 H A 0048 ARG CB
H A 0048 ARG C 2.441 H A 0049 TYR CA
H A 0048 ARG C 3.043 H A 0049 TYR C
H A 0048 ARG C 3.653 H A 0049 TYR CB
H A 0048 ARG CA 3.274 H A 0051 TRP CE3
H A 0048 ARG C 3.602 H A 0051 TRP CE3
H A 0048 ARG CB 3.427 H A 0051 TRP CE3
H A 0048 ARG CB 3.732 H A 0051 TRP CZ3
H A 0048 ARG CG 3.227 H A 0051 TRP CE3
H A 0048 ARG CG 3.350 H A 0051 TRP CZ3
H A 0049 TYR CA 3.791 H A 0050 ALA CA
H A 0049 TYR C 2.431 H A 0050 ALA CA
H A 0049 TYR C 3.019 H A 0050 ALA C
H A 0049 TYR C 3.608 H A 0050 ALA CB
H A 0050 ALA C 2.431 H A 0051 TRP CA
H A 0050 ALA C 2.924 H A 0051 TRP C
H A 0050 ALA C 3.643 H A 0051 TRP CB
H A 0050 ALA C 3.791 H A 0053 CYS CB
H A 0051 TRP C 2.435 H A 0052 TYR CA
H A 0051 TRP C 2.980 H A 0052 TYR C
H A 0051 TRP C 3.655 H A 0052 TYR CB
H A 0051 TRP C 3.385 H A 0055 GLN CG
H A 0052 TYR C 2.432 H A 0053 CYS CA
H A 0052 TYR C 3.030 H A 0053 CYS C
H A 0052 TYR C 3.641 H A 0053 CYS CB
H A 0052 TYR CA 3.238 H A 0055 GLN CG
H A 0052 TYR CA 3.583 H A 0055 GLN CD
H A 0052 TYR C 3.606 H A 0055 GLN CG
H A 0052 TYR CE1 3.787 H A 0056 MET CB
H A 0052 TYR CE1 3.378 H A 0056 MET CG
H A 0052 TYR CZ 3.741 H A 0056 MET CB
H A 0052 TYR CZ 3.267 H A 0056 MET CG
H A 0053 CYS C 2.436 H A 0054 GLN CA
H A 0053 CYS C 3.229 H A 0054 GLN C
H A 0053 CYS C 3.622 H A 0054 GLN CB
H A 0054 GLN C 2.437 H A 0055 GLN CA
H A 0054 GLN C 3.184 H A 0055 GLN C
H A 0054 GLN C 3.658 H A 0055 GLN CB
H A 0054 GLN CD 3.797 H A 0055 GLN CA
H A 0054 GLN CA 3.661 H A 0057 MET CG
H A 0054 GLN C 3.583 H A 0057 MET CG
H A 0055 GLN C 2.433 H A 0056 MET CA
H A 0055 GLN C 3.094 H A 0056 MET C
H A 0055 GLN C 3.652 H A 0056 MET CB
H A 0056 MET C 2.433 H A 0057 MET CA
H A 0056 MET C 2.981 H A 0057 MET C
H A 0056 MET C 3.675 H A 0057 MET CB
H A 0056 MET CA 3.747 H A 0059 ALA CB
H A 0057 MET C 2.444 H A 0058 GLN CA
H A 0057 MET C 3.291 H A 0058 GLN C
H A 0057 MET C 3.586 H A 0058 GLN CB
H A 0058 GLN C 2.452 H A 0059 ALA CA
H A 0058 GLN C 3.314 H A 0059 ALA C
H A 0058 GLN C 3.581 H A 0059 ALA CB
H A 0059 ALA C 2.445 H A 0060 ARG CA
H A 0059 ALA C 3.014 H A 0060 ARG C
H A 0059 ALA C 3.653 H A 0060 ARG CB
H A 0060 ARG C 2.440 C A 0061 GLU CA
H A 0060 ARG C 3.682 C A 0061 GLU C
H A 0060 ARG C 3.087 C A 0061 GLU CB
C A 0061 GLU C 2.439 C A 0062 LEU CA
C A 0061 GLU C 3.425 C A 0062 LEU C
C A 0061 GLU C 3.482 C A 0062 LEU CB
C A 0062 LEU C 2.439 C A 0063 GLU CA
C A 0062 LEU C 3.479 C A 0063 GLU C
C A 0062 LEU C 3.440 C A 0063 GLU CB
C A 0063 GLU C 2.434 C A 0064 LEU CA
C A 0063 GLU C 3.191 C A 0064 LEU C
C A 0063 GLU C 3.622 C A 0064 LEU CB
C A 0064 LEU C 2.434 C A 0065 GLU CA
C A 0064 LEU C 3.579 C A 0065 GLU C
C A 0064 LEU C 3.316 C A 0065 GLU CB
C A 0064 LEU CD2 3.625 C A 0065 GLU CB
C A 0065 GLU C 2.441 C A 0066 HIS CA
C A 0065 GLU C 3.711 C A 0066 HIS C
C A 0065 GLU C 3.078 C A 0066 HIS CB
C A 0065 GLU C 3.558 C A 0066 HIS CG
CHARGE_ATTR 2.00 12.00 76
C A 0002 ASP OD1 4.686 C A 0003 HIS ND1
C A 0002 ASP OD1 6.061 C A 0003 HIS NE2
C A 0002 ASP OD2 4.017 C A 0003 HIS ND1
C A 0002 ASP OD2 4.885 C A 0003 HIS NE2
H A 0012 ASP OD2 11.76 C A 0003 HIS NE2
H A 0012 ASP OD1 8.112 H A 0016 ARG NH1
H A 0012 ASP OD1 8.235 H A 0016 ARG NH2
H A 0012 ASP OD2 9.652 H A 0016 ARG NH1
H A 0012 ASP OD2 9.385 H A 0016 ARG NH2
H A 0024 GLU OE1 6.357 H A 0020 ARG NH1
H A 0024 GLU OE1 6.421 H A 0020 ARG NH2
H A 0024 GLU OE2 7.928 H A 0020 ARG NH1
H A 0024 GLU OE2 7.466 H A 0020 ARG NH2
H A 0024 GLU OE1 10.23 H A 0022 HIS ND1
H A 0024 GLU OE1 11.33 H A 0022 HIS NE2
H A 0024 GLU OE2 11.97 H A 0022 HIS ND1
H A 0024 GLU OE1 4.040 C A 0026 ARG NH1
H A 0024 GLU OE1 3.743 C A 0026 ARG NH2
H A 0024 GLU OE2 4.457 C A 0026 ARG NH1
H A 0024 GLU OE2 2.981 C A 0026 ARG NH2
H A 0024 GLU OE1 11.36 H A 0048 ARG NH2
H A 0029 ASP OD1 10.84 H A 0041 HIS ND1
H A 0029 ASP OD1 10.26 H A 0041 HIS NE2
H A 0029 ASP OD2 10.09 H A 0060 ARG NH1
H A 0029 ASP OD2 11.74 H A 0060 ARG NH2
H A 0029 ASP OD1 6.540 C A 0066 HIS ND1
H A 0029 ASP OD1 6.369 C A 0066 HIS NE2
H A 0029 ASP OD2 5.561 C A 0066 HIS ND1
H A 0029 ASP OD2 5.675 C A 0066 HIS NE2
C A 0038 ASP OD1 8.034 H A 0041 HIS ND1
C A 0038 ASP OD1 9.062 H A 0041 HIS NE2
C A 0038 ASP OD2 7.165 H A 0041 HIS ND1
C A 0038 ASP OD2 8.491 H A 0041 HIS NE2
C A 0038 ASP OD1 8.074 H A 0042 ARG NH1
C A 0038 ASP OD1 6.880 H A 0042 ARG NH2
C A 0038 ASP OD2 7.835 H A 0042 ARG NH1
C A 0038 ASP OD2 6.866 H A 0042 ARG NH2
C A 0039 GLU OE1 11.45 H A 0041 HIS ND1
C A 0039 GLU OE2 10.06 H A 0041 HIS ND1
C A 0039 GLU OE2 10.33 H A 0041 HIS NE2
C A 0039 GLU OE1 5.884 H A 0042 ARG NH1
C A 0039 GLU OE1 6.243 H A 0042 ARG NH2
C A 0039 GLU OE2 4.367 H A 0042 ARG NH1
C A 0039 GLU OE2 4.258 H A 0042 ARG NH2
H A 0040 GLU OE1 9.605 H A 0041 HIS ND1
H A 0040 GLU OE1 11.22 H A 0041 HIS NE2
H A 0040 GLU OE2 9.706 H A 0041 HIS ND1
H A 0040 GLU OE2 11.03 H A 0041 HIS NE2
H A 0040 GLU OE1 9.833 H A 0042 ARG NH1
H A 0040 GLU OE1 9.440 H A 0042 ARG NH2
H A 0040 GLU OE2 8.057 H A 0042 ARG NH1
H A 0040 GLU OE2 8.034 H A 0042 ARG NH2
C A 0061 GLU OE1 10.66 H A 0060 ARG NH1
C A 0061 GLU OE1 8.480 H A 0060 ARG NH2
C A 0061 GLU OE2 9.674 H A 0060 ARG NH1
C A 0061 GLU OE2 7.428 H A 0060 ARG NH2
C A 0063 GLU OE1 9.775 C A 0026 ARG NH1
C A 0063 GLU OE1 11.03 C A 0026 ARG NH2
C A 0063 GLU OE2 11.79 C A 0026 ARG NH1
C A 0063 GLU OE1 8.947 H A 0060 ARG NH1
C A 0063 GLU OE1 8.882 H A 0060 ARG NH2
C A 0063 GLU OE2 7.285 H A 0060 ARG NH1
C A 0063 GLU OE2 7.470 H A 0060 ARG NH2
C A 0063 GLU OE1 6.288 C A 0066 HIS ND1
C A 0063 GLU OE1 7.135 C A 0066 HIS NE2
C A 0063 GLU OE2 7.001 C A 0066 HIS ND1
C A 0063 GLU OE2 7.537 C A 0066 HIS NE2
C A 0065 GLU OE1 11.04 C A 0026 ARG NH1
C A 0065 GLU OE1 8.244 H A 0060 ARG NH1
C A 0065 GLU OE1 9.089 H A 0060 ARG NH2
C A 0065 GLU OE2 8.646 H A 0060 ARG NH1
C A 0065 GLU OE2 9.943 H A 0060 ARG NH2
C A 0065 GLU OE1 5.926 C A 0066 HIS ND1
C A 0065 GLU OE1 7.598 C A 0066 HIS NE2
C A 0065 GLU OE2 5.657 C A 0066 HIS ND1
C A 0065 GLU OE2 6.819 C A 0066 HIS NE2
CHARGE_REPU 2.00 12.00 58
C A 0002 ASP OD2 11.88 H A 0012 ASP OD2
H A 0012 ASP OD1 11.73 C A 0038 ASP OD1
H A 0012 ASP OD2 11.51 C A 0038 ASP OD1
H A 0016 ARG NH1 6.788 H A 0020 ARG NH1
H A 0016 ARG NH1 7.126 H A 0020 ARG NH2
H A 0016 ARG NH2 7.140 H A 0020 ARG NH1
H A 0016 ARG NH2 7.036 H A 0020 ARG NH2
H A 0020 ARG NH1 11.83 H A 0022 HIS ND1
H A 0020 ARG NH1 7.023 C A 0026 ARG NH1
H A 0020 ARG NH1 8.119 C A 0026 ARG NH2
H A 0020 ARG NH2 6.452 C A 0026 ARG NH1
H A 0020 ARG NH2 7.263 C A 0026 ARG NH2
H A 0020 ARG NH1 11.49 H A 0048 ARG NH2
H A 0020 ARG NH1 11.81 C A 0066 HIS ND1
H A 0022 HIS ND1 10.85 H A 0041 HIS ND1
H A 0022 HIS ND1 4.689 H A 0048 ARG NH1
H A 0022 HIS ND1 3.369 H A 0048 ARG NH2
H A 0022 HIS NE2 4.970 H A 0048 ARG NH1
H A 0022 HIS NE2 3.925 H A 0048 ARG NH2
C A 0026 ARG NH1 9.091 C A 0066 HIS ND1
C A 0026 ARG NH1 10.79 C A 0066 HIS NE2
C A 0026 ARG NH2 11.20 C A 0066 HIS ND1
H A 0029 ASP OD1 11.58 C A 0063 GLU OE1
H A 0029 ASP OD1 11.23 C A 0063 GLU OE2
H A 0029 ASP OD2 9.767 C A 0063 GLU OE1
H A 0029 ASP OD2 9.269 C A 0063 GLU OE2
H A 0029 ASP OD1 6.716 C A 0065 GLU OE1
H A 0029 ASP OD1 4.690 C A 0065 GLU OE2
H A 0029 ASP OD2 5.148 C A 0065 GLU OE1
H A 0029 ASP OD2 3.083 C A 0065 GLU OE2
C A 0038 ASP OD1 5.189 C A 0039 GLU OE1
C A 0038 ASP OD1 4.729 C A 0039 GLU OE2
C A 0038 ASP OD2 5.499 C A 0039 GLU OE1
C A 0038 ASP OD2 5.223 C A 0039 GLU OE2
C A 0038 ASP OD1 4.609 H A 0040 GLU OE1
C A 0038 ASP OD1 4.788 H A 0040 GLU OE2
C A 0038 ASP OD2 3.217 H A 0040 GLU OE1
C A 0038 ASP OD2 3.361 H A 0040 GLU OE2
C A 0039 GLU OE1 6.256 H A 0040 GLU OE1
C A 0039 GLU OE1 4.698 H A 0040 GLU OE2
C A 0039 GLU OE2 7.016 H A 0040 GLU OE1
C A 0039 GLU OE2 5.555 H A 0040 GLU OE2
H A 0041 HIS ND1 9.758 H A 0042 ARG NH1
H A 0041 HIS ND1 8.017 H A 0042 ARG NH2
H A 0041 HIS NE2 9.359 H A 0042 ARG NH1
H A 0041 HIS NE2 7.502 H A 0042 ARG NH2
H A 0041 HIS ND1 9.050 H A 0048 ARG NH1
H A 0041 HIS ND1 10.37 H A 0048 ARG NH2
H A 0041 HIS NE2 10.75 H A 0048 ARG NH1
H A 0060 ARG NH1 11.48 C A 0066 HIS ND1
C A 0061 GLU OE1 11.27 C A 0063 GLU OE1
C A 0061 GLU OE1 11.30 C A 0063 GLU OE2
C A 0061 GLU OE2 11.38 C A 0063 GLU OE1
C A 0061 GLU OE2 11.02 C A 0063 GLU OE2
C A 0063 GLU OE1 8.082 C A 0065 GLU OE1
C A 0063 GLU OE1 8.837 C A 0065 GLU OE2
C A 0063 GLU OE2 8.042 C A 0065 GLU OE1
C A 0063 GLU OE2 8.526 C A 0065 GLU OE2
HB_MM 2.00 3.20 114
C A 0002 ASP N 2.202 C A 0001 MET O
C A 0003 HIS N 2.206 C A 0002 ASP O
C A 0004 SER N 2.204 C A 0003 HIS O
C A 0005 LEU N 2.202 C A 0004 SER O
H A 0006 ASN N 3.003 C A 0002 ASP O
H A 0006 ASN N 2.204 C A 0005 LEU O
H A 0007 SER N 2.897 C A 0002 ASP O
H A 0007 SER N 2.205 H A 0006 ASN O
H A 0008 LEU N 2.958 C A 0003 HIS O
H A 0008 LEU N 2.205 H A 0007 SER O
H A 0009 ASN N 2.208 H A 0008 LEU O
H A 0010 ASN N 3.184 H A 0006 ASN O
H A 0010 ASN N 2.207 H A 0009 ASN O
H A 0011 PHE N 2.912 H A 0007 SER O
H A 0011 PHE N 3.142 H A 0008 LEU O
H A 0011 PHE N 2.203 H A 0010 ASN O
H A 0012 ASP N 3.192 H A 0008 LEU O
H A 0012 ASP N 3.109 H A 0010 ASN O
H A 0012 ASP N 2.201 H A 0011 PHE O
H A 0013 PHE N 2.207 H A 0012 ASP O
H A 0014 LEU N 2.727 H A 0010 ASN O
H A 0014 LEU N 2.202 H A 0013 PHE O
H A 0015 ALA N 2.922 H A 0011 PHE O
H A 0015 ALA N 3.173 H A 0012 ASP O
H A 0015 ALA N 2.191 H A 0014 LEU O
H A 0016 ARG N 3.179 H A 0014 LEU O
H A 0016 ARG N 2.213 H A 0015 ALA O
H A 0017 SER N 2.897 H A 0014 LEU O
H A 0017 SER N 2.206 H A 0016 ARG O
H A 0018 PHE N 2.447 H A 0014 LEU O
H A 0018 PHE N 2.203 H A 0017 SER O
H A 0019 ALA N 2.213 H A 0018 PHE O
H A 0020 ARG N 2.209 H A 0019 ALA O
H A 0021 MET N 2.667 H A 0017 SER O
H A 0021 MET N 2.209 H A 0020 ARG O
H A 0022 HIS N 3.166 H A 0018 PHE O
H A 0022 HIS N 3.190 H A 0020 ARG O
H A 0022 HIS N 2.208 H A 0021 MET O
H A 0023 ALA N 2.206 H A 0022 HIS O
H A 0024 GLU N 2.206 H A 0023 ALA O
H A 0025 GLY N 2.812 H A 0021 MET O
H A 0025 GLY N 2.205 H A 0024 GLU O
C A 0026 ARG N 3.188 H A 0021 MET O
C A 0026 ARG N 2.207 H A 0025 GLY O
C A 0027 PRO N 2.234 C A 0026 ARG O
C A 0028 VAL N 2.209 C A 0027 PRO O
H A 0029 ASP N 2.201 C A 0028 VAL O
H A 0030 ILE N 2.801 C A 0028 VAL O
H A 0030 ILE N 2.207 H A 0029 ASP O
H A 0031 LEU N 2.210 H A 0030 ILE O
H A 0032 ALA N 3.199 H A 0029 ASP O
H A 0032 ALA N 3.049 H A 0030 ILE O
H A 0032 ALA N 2.207 H A 0031 LEU O
H A 0033 VAL N 2.666 H A 0030 ILE O
H A 0033 VAL N 3.066 H A 0031 LEU O
H A 0033 VAL N 2.212 H A 0032 ALA O
H A 0034 THR N 2.887 H A 0030 ILE O
H A 0034 THR N 2.829 H A 0031 LEU O
H A 0034 THR N 2.200 H A 0033 VAL O
H A 0035 GLY N 2.954 H A 0031 LEU O
H A 0035 GLY N 2.210 H A 0034 THR O
H A 0036 ASN N 2.207 H A 0035 GLY O
H A 0037 MET N 3.173 H A 0034 THR O
H A 0037 MET N 2.215 H A 0036 ASN O
C A 0038 ASP N 2.202 H A 0037 MET O
C A 0039 GLU N 2.208 C A 0038 ASP O
H A 0040 GLU N 2.208 C A 0039 GLU O
H A 0041 HIS N 3.074 C A 0038 ASP O
H A 0041 HIS N 2.210 H A 0040 GLU O
H A 0042 ARG N 2.207 H A 0041 HIS O
H A 0043 THR N 2.208 H A 0042 ARG O
H A 0044 TRP N 3.080 H A 0040 GLU O
H A 0044 TRP N 2.213 H A 0043 THR O
H A 0045 PHE N 2.781 H A 0041 HIS O
H A 0045 PHE N 2.206 H A 0044 TRP O
H A 0046 CYS N 3.144 H A 0043 THR O
H A 0046 CYS N 3.173 H A 0044 TRP O
H A 0046 CYS N 2.180 H A 0045 PHE O
H A 0047 ALA N 2.217 H A 0046 CYS O
H A 0048 ARG N 2.977 H A 0044 TRP O
H A 0048 ARG N 3.132 H A 0045 PHE O
H A 0048 ARG N 2.209 H A 0047 ALA O
H A 0049 TYR N 2.423 H A 0045 PHE O
H A 0049 TYR N 2.203 H A 0048 ARG O
H A 0050 ALA N 2.212 H A 0049 TYR O
H A 0051 TRP N 2.209 H A 0050 ALA O
H A 0052 TYR N 2.978 H A 0048 ARG O
H A 0052 TYR N 2.203 H A 0051 TRP O
H A 0053 CYS N 2.882 H A 0049 TYR O
H A 0053 CYS N 3.049 H A 0050 ALA O
H A 0053 CYS N 3.147 H A 0051 TRP O
H A 0053 CYS N 2.200 H A 0052 TYR O
H A 0054 GLN N 2.938 H A 0050 ALA O
H A 0054 GLN N 3.166 H A 0051 TRP O
H A 0054 GLN N 2.203 H A 0053 CYS O
H A 0055 GLN N 2.881 H A 0051 TRP O
H A 0055 GLN N 2.202 H A 0054 GLN O
H A 0056 MET N 2.874 H A 0052 TYR O
H A 0056 MET N 2.202 H A 0055 GLN O
H A 0057 MET N 2.207 H A 0056 MET O
H A 0058 GLN N 3.124 H A 0056 MET O
H A 0058 GLN N 2.212 H A 0057 MET O
H A 0059 ALA N 2.792 H A 0055 GLN O
H A 0059 ALA N 2.913 H A 0056 MET O
H A 0059 ALA N 2.210 H A 0058 GLN O
H A 0060 ARG N 2.827 H A 0056 MET O
H A 0060 ARG N 2.209 H A 0059 ALA O
C A 0061 GLU N 2.862 H A 0059 ALA O
C A 0061 GLU N 2.207 H A 0060 ARG O
C A 0062 LEU N 2.208 C A 0061 GLU O
C A 0063 GLU N 2.207 C A 0062 LEU O
C A 0064 LEU N 2.205 C A 0063 GLU O
C A 0065 GLU N 2.204 C A 0064 LEU O
C A 0066 HIS N 2.204 C A 0065 GLU O
HB_MS 2.00 3.20 11
C A 0004 SER N 3.090 C A 0002 ASP OD2
H A 0016 ARG O 2.804 H A 0020 ARG NH1
C A 0026 ARG O 2.836 H A 0055 GLN NE2
C A 0027 PRO N 3.173 H A 0055 GLN OE1
H A 0031 LEU O 2.921 H A 0034 THR OG1
H A 0032 ALA N 3.092 H A 0029 ASP OD1
H A 0035 GLY N 3.150 H A 0034 THR OG1
C A 0039 GLU N 3.155 C A 0038 ASP OD2
H A 0040 GLU N 3.058 C A 0038 ASP OD2
H A 0055 GLN N 2.976 H A 0054 GLN OE1
H A 0056 MET N 2.827 H A 0055 GLN OE1
HB_SS 2.00 3.20 1
C A 0065 GLU OE2 3.092 H A 0052 TYR OH
AROMATIC 0.00 8.00 4
H A 0042 ARG 7.077 H A 0041 HIS
H A 0016 ARG 7.655 H A 0013 PHE
H A 0048 ARG 4.088 H A 0044 TRP
H A 0045 PHE 3.292 H A 0049 TYR