Complet list of 1ng7 con file
Complete list of 1ng7.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 334
C A 0001 MET C 2.421 C A 0002 GLY CA
C A 0001 MET C 3.374 C A 0002 GLY C
C A 0002 GLY CA 2.847 C A 0003 PRO CD
C A 0002 GLY C 2.428 C A 0003 PRO CA
C A 0002 GLY C 3.097 C A 0003 PRO C
C A 0002 GLY C 3.604 C A 0003 PRO CB
C A 0002 GLY C 3.611 C A 0003 PRO CG
C A 0002 GLY C 2.480 C A 0003 PRO CD
C A 0003 PRO CA 3.799 C A 0004 LEU CA
C A 0003 PRO C 2.420 C A 0004 LEU CA
C A 0003 PRO C 3.677 C A 0004 LEU C
C A 0003 PRO C 2.993 C A 0004 LEU CB
C A 0003 PRO C 3.723 C A 0004 LEU CG
C A 0004 LEU C 2.416 C A 0005 GLN CA
C A 0004 LEU C 3.179 C A 0005 GLN C
C A 0004 LEU C 3.591 C A 0005 GLN CB
C A 0005 GLN C 2.436 C A 0006 TYR CA
C A 0005 GLN C 2.839 C A 0006 TYR C
C A 0005 GLN C 3.606 C A 0006 TYR CB
C A 0006 TYR C 2.424 C A 0007 LYS CA
C A 0006 TYR C 3.628 C A 0007 LYS C
C A 0006 TYR C 3.199 C A 0007 LYS CB
C A 0006 TYR C 3.713 C A 0007 LYS CD
C A 0007 LYS C 2.424 C A 0008 ASP CA
C A 0007 LYS C 2.881 C A 0008 ASP C
C A 0007 LYS C 2.979 C A 0008 ASP CB
C A 0008 ASP C 2.424 C A 0009 LEU CA
C A 0008 ASP C 3.621 C A 0009 LEU C
C A 0008 ASP C 3.213 C A 0009 LEU CB
C A 0008 ASP C 3.776 C A 0009 LEU CG
C A 0008 ASP C 3.593 C A 0009 LEU CD2
C A 0009 LEU C 2.423 C A 0010 LYS CA
C A 0009 LEU C 3.619 C A 0010 LYS C
C A 0009 LEU C 3.216 C A 0010 LYS CB
C A 0010 LYS C 2.420 C A 0011 ILE CA
C A 0010 LYS C 3.490 C A 0011 ILE C
C A 0010 LYS C 3.368 C A 0011 ILE CB
C A 0010 LYS C 3.258 C A 0011 ILE CG2
C A 0011 ILE CA 3.786 C A 0012 ASP CA
C A 0011 ILE C 2.396 C A 0012 ASP CA
C A 0011 ILE C 3.668 C A 0012 ASP C
C A 0011 ILE C 2.999 C A 0012 ASP CB
C A 0011 ILE CG1 3.684 C A 0013 ILE CG1
C A 0011 ILE CG1 3.756 C A 0013 ILE CD1
C A 0011 ILE CD1 3.452 C A 0013 ILE CG1
C A 0011 ILE CD1 3.191 C A 0013 ILE CD1
C A 0012 ASP C 2.421 C A 0013 ILE CA
C A 0012 ASP C 2.963 C A 0013 ILE C
C A 0012 ASP C 2.862 C A 0013 ILE CB
C A 0012 ASP C 3.083 C A 0013 ILE CG1
C A 0013 ILE C 2.420 C A 0014 LYS CA
C A 0013 ILE C 3.049 C A 0014 LYS C
C A 0013 ILE C 3.634 C A 0014 LYS CB
C A 0014 LYS C 2.426 C A 0015 THR CA
C A 0014 LYS C 3.190 C A 0015 THR C
C A 0014 LYS C 3.607 C A 0015 THR CB
C A 0015 THR C 2.430 C A 0016 SER CA
C A 0015 THR C 2.990 C A 0016 SER C
C A 0015 THR C 3.637 C A 0016 SER CB
C A 0015 THR CA 3.697 H A 0042 GLY C
C A 0015 THR CB 3.378 C A 0044 ILE CD1
C A 0016 SER CA 3.156 C A 0017 PRO CA
C A 0016 SER C 2.553 C A 0017 PRO CA
C A 0016 SER C 3.516 C A 0017 PRO C
C A 0016 SER C 3.532 C A 0017 PRO CB
C A 0016 SER C 3.482 C A 0017 PRO CG
C A 0016 SER C 2.462 C A 0017 PRO CD
C A 0016 SER CB 2.813 C A 0017 PRO CA
C A 0016 SER CB 3.705 C A 0017 PRO C
C A 0016 SER CA 3.129 C A 0018 PRO CD
C A 0016 SER C 2.758 C A 0018 PRO CD
C A 0016 SER CB 3.415 C A 0018 PRO CD
C A 0016 SER CB 3.687 C A 0019 PRO CD
C A 0016 SER CA 3.609 C A 0043 TRP CA
C A 0016 SER C 3.712 C A 0043 TRP CA
C A 0016 SER C 3.505 C A 0043 TRP C
C A 0016 SER CB 3.339 C A 0043 TRP CA
C A 0016 SER CB 3.528 C A 0043 TRP CB
C A 0017 PRO CA 3.788 C A 0018 PRO CA
C A 0017 PRO CA 2.925 C A 0018 PRO CD
C A 0017 PRO C 2.391 C A 0018 PRO CA
C A 0017 PRO C 2.968 C A 0018 PRO C
C A 0017 PRO C 3.593 C A 0018 PRO CB
C A 0017 PRO C 3.597 C A 0018 PRO CG
C A 0017 PRO C 2.496 C A 0018 PRO CD
C A 0017 PRO CD 3.385 C A 0018 PRO CD
C A 0017 PRO C 3.118 C A 0019 PRO CD
C A 0017 PRO CA 3.625 C A 0043 TRP CA
C A 0017 PRO CA 3.473 C A 0043 TRP C
C A 0017 PRO CA 3.392 C A 0043 TRP CB
C A 0017 PRO CB 3.577 C A 0043 TRP CA
C A 0017 PRO CB 3.025 C A 0043 TRP C
C A 0017 PRO CB 3.166 C A 0043 TRP CB
C A 0017 PRO CG 3.213 C A 0043 TRP C
C A 0017 PRO CD 3.693 C A 0043 TRP C
C A 0017 PRO CB 3.539 C A 0044 ILE C
C A 0017 PRO CG 3.717 C A 0044 ILE CA
C A 0017 PRO CG 3.095 C A 0044 ILE C
C A 0017 PRO CG 3.786 C A 0044 ILE CB
C A 0017 PRO CB 3.093 C A 0045 VAL CA
C A 0017 PRO CB 3.642 C A 0045 VAL CB
C A 0017 PRO CB 2.984 C A 0045 VAL CG1
C A 0017 PRO CG 3.191 C A 0045 VAL CA
C A 0018 PRO CA 2.991 C A 0019 PRO CD
C A 0018 PRO C 2.414 C A 0019 PRO CA
C A 0018 PRO C 3.013 C A 0019 PRO C
C A 0018 PRO C 3.615 C A 0019 PRO CB
C A 0018 PRO C 3.639 C A 0019 PRO CG
C A 0018 PRO C 2.518 C A 0019 PRO CD
C A 0018 PRO CB 3.512 C A 0019 PRO CD
C A 0018 PRO CG 3.123 C A 0019 PRO CD
C A 0018 PRO CD 3.049 C A 0019 PRO CD
C A 0019 PRO C 2.456 C A 0020 GLU CA
C A 0019 PRO C 3.049 C A 0020 GLU C
C A 0019 PRO C 3.662 C A 0020 GLU CB
C A 0020 GLU C 2.403 C A 0021 CYS CA
C A 0020 GLU C 3.120 C A 0021 CYS C
C A 0020 GLU C 3.673 C A 0021 CYS CB
C A 0020 GLU CA 3.544 H A 0023 ASN CG
C A 0020 GLU CB 3.210 H A 0023 ASN CG
C A 0020 GLU C 3.724 H A 0024 ASP CB
C A 0021 CYS C 2.433 H A 0022 ILE CA
C A 0021 CYS C 3.139 H A 0022 ILE C
C A 0021 CYS C 3.654 H A 0022 ILE CB
C A 0021 CYS C 3.334 H A 0022 ILE CD1
C A 0021 CYS C 3.728 H A 0025 LEU CB
H A 0022 ILE CA 3.780 H A 0023 ASN CA
H A 0022 ILE C 2.388 H A 0023 ASN CA
H A 0022 ILE C 2.936 H A 0023 ASN C
H A 0022 ILE C 3.632 H A 0023 ASN CB
H A 0022 ILE CA 3.687 H A 0025 LEU CB
H A 0022 ILE CA 3.701 H A 0025 LEU CD2
H A 0022 ILE C 3.484 H A 0025 LEU CB
H A 0022 ILE CG2 3.396 H A 0034 VAL CG1
H A 0022 ILE CG2 3.460 H A 0038 CYS CB
H A 0022 ILE CG1 3.271 C A 0043 TRP CE3
H A 0022 ILE CG1 2.946 C A 0043 TRP CZ3
H A 0022 ILE CG1 3.249 C A 0043 TRP CH2
H A 0022 ILE CD1 3.754 C A 0043 TRP CE3
H A 0022 ILE CD1 2.849 C A 0043 TRP CZ3
H A 0022 ILE CD1 2.967 C A 0043 TRP CH2
H A 0023 ASN C 2.401 H A 0024 ASP CA
H A 0023 ASN C 2.835 H A 0024 ASP C
H A 0023 ASN C 3.630 H A 0024 ASP CB
H A 0023 ASN CA 3.699 H A 0027 GLN CG
H A 0023 ASN C 3.750 H A 0027 GLN CB
H A 0023 ASN C 3.064 H A 0027 GLN CG
H A 0023 ASN CB 3.462 H A 0035 ARG CZ
H A 0024 ASP CA 3.765 H A 0025 LEU CA
H A 0024 ASP C 2.398 H A 0025 LEU CA
H A 0024 ASP C 3.163 H A 0025 LEU C
H A 0024 ASP C 3.584 H A 0025 LEU CB
H A 0025 LEU CA 3.715 H A 0026 LEU CA
H A 0025 LEU C 2.381 H A 0026 LEU CA
H A 0025 LEU C 3.067 H A 0026 LEU C
H A 0025 LEU C 3.549 H A 0026 LEU CB
H A 0025 LEU CG 3.719 H A 0026 LEU CA
H A 0025 LEU CD2 3.800 H A 0026 LEU CB
H A 0025 LEU CD2 3.601 H A 0034 VAL CG1
H A 0026 LEU CA 3.777 H A 0027 GLN CA
H A 0026 LEU C 2.376 H A 0027 GLN CA
H A 0026 LEU C 2.939 H A 0027 GLN C
H A 0026 LEU C 3.589 H A 0027 GLN CB
H A 0026 LEU CA 3.442 H A 0029 VAL CG1
H A 0026 LEU CD1 3.521 H A 0030 ASP C
H A 0026 LEU CD1 3.161 H A 0031 SER CA
H A 0026 LEU CD1 3.326 H A 0031 SER C
H A 0026 LEU CD1 2.887 H A 0031 SER CB
H A 0026 LEU CD2 3.555 H A 0031 SER C
H A 0026 LEU CB 3.322 H A 0034 VAL CG1
H A 0026 LEU CG 3.745 H A 0034 VAL CG1
H A 0026 LEU CD2 3.288 H A 0034 VAL CG1
H A 0026 LEU CD2 3.732 H A 0035 ARG CA
H A 0026 LEU CD2 3.122 H A 0035 ARG CB
H A 0026 LEU CD2 3.267 H A 0035 ARG CG
H A 0027 GLN C 2.426 H A 0028 ALA CA
H A 0027 GLN C 3.509 H A 0028 ALA C
H A 0027 GLN C 3.416 H A 0028 ALA CB
H A 0028 ALA C 2.400 H A 0029 VAL CA
H A 0028 ALA C 3.358 H A 0029 VAL C
H A 0028 ALA C 3.490 H A 0029 VAL CB
H A 0029 VAL CA 3.794 H A 0030 ASP CA
H A 0029 VAL C 2.400 H A 0030 ASP CA
H A 0029 VAL C 2.808 H A 0030 ASP C
H A 0029 VAL C 2.908 H A 0030 ASP CB
H A 0030 ASP CA 3.750 H A 0031 SER CA
H A 0030 ASP C 2.346 H A 0031 SER CA
H A 0030 ASP C 3.631 H A 0031 SER C
H A 0030 ASP C 2.823 H A 0031 SER CB
H A 0031 SER C 2.421 H A 0032 GLN CA
H A 0031 SER C 2.877 H A 0032 GLN C
H A 0031 SER C 3.631 H A 0032 GLN CB
H A 0032 GLN C 2.398 H A 0033 GLU CA
H A 0032 GLN C 2.941 H A 0033 GLU C
H A 0032 GLN C 3.623 H A 0033 GLU CB
H A 0032 GLN C 3.601 H A 0036 ASP CB
H A 0033 GLU C 2.418 H A 0034 VAL CA
H A 0033 GLU C 3.129 H A 0034 VAL C
H A 0033 GLU C 3.610 H A 0034 VAL CB
H A 0033 GLU C 3.712 H A 0037 TYR CB
H A 0034 VAL C 2.414 H A 0035 ARG CA
H A 0034 VAL C 3.081 H A 0035 ARG C
H A 0034 VAL C 3.600 H A 0035 ARG CB
H A 0034 VAL CA 3.697 H A 0037 TYR CB
H A 0034 VAL C 3.512 H A 0037 TYR CB
H A 0035 ARG C 2.417 H A 0036 ASP CA
H A 0035 ARG C 2.848 H A 0036 ASP C
H A 0035 ARG C 3.643 H A 0036 ASP CB
H A 0035 ARG CA 3.551 H A 0038 CYS CB
H A 0035 ARG C 3.746 H A 0038 CYS CB
H A 0035 ARG C 3.709 H A 0039 GLU CG
H A 0035 ARG CG 3.373 C A 0045 VAL CG2
H A 0035 ARG CD 3.728 C A 0045 VAL CG2
H A 0035 ARG CZ 3.088 C A 0045 VAL C
H A 0035 ARG CZ 3.177 C A 0046 ASN CA
H A 0036 ASP CA 3.763 H A 0037 TYR CA
H A 0036 ASP C 2.416 H A 0037 TYR CA
H A 0036 ASP C 3.085 H A 0037 TYR C
H A 0036 ASP C 3.582 H A 0037 TYR CB
H A 0036 ASP CA 3.344 H A 0039 GLU CG
H A 0036 ASP C 3.328 H A 0039 GLU CG
H A 0037 TYR CA 3.796 H A 0038 CYS CA
H A 0037 TYR C 2.420 H A 0038 CYS CA
H A 0037 TYR C 2.892 H A 0038 CYS C
H A 0037 TYR C 3.599 H A 0038 CYS CB
H A 0037 TYR CD1 3.331 H A 0038 CYS CA
H A 0037 TYR CA 3.482 H A 0040 LYS CB
H A 0037 TYR C 3.448 H A 0040 LYS CB
H A 0037 TYR C 3.339 H A 0041 LYS CG
H A 0037 TYR C 3.539 H A 0041 LYS CD
H A 0037 TYR CG 3.603 H A 0041 LYS CD
H A 0037 TYR CD1 3.305 H A 0041 LYS CG
H A 0037 TYR CD1 3.660 H A 0041 LYS CD
H A 0037 TYR CD2 3.282 H A 0041 LYS CD
H A 0037 TYR CE1 2.886 H A 0041 LYS CG
H A 0037 TYR CE1 3.396 H A 0041 LYS CD
H A 0037 TYR CE2 3.610 H A 0041 LYS CG
H A 0037 TYR CE2 2.996 H A 0041 LYS CD
H A 0037 TYR CE2 3.013 H A 0041 LYS CE
H A 0037 TYR CZ 3.061 H A 0041 LYS CG
H A 0037 TYR CZ 3.051 H A 0041 LYS CD
H A 0037 TYR CZ 3.059 H A 0041 LYS CE
H A 0038 CYS C 2.404 H A 0039 GLU CA
H A 0038 CYS C 3.025 H A 0039 GLU C
H A 0038 CYS C 3.613 H A 0039 GLU CB
H A 0038 CYS CA 3.438 H A 0041 LYS CG
H A 0038 CYS C 3.731 H A 0041 LYS CB
H A 0038 CYS C 3.779 H A 0041 LYS CG
H A 0038 CYS CA 3.785 C A 0043 TRP CD1
H A 0038 CYS C 3.431 C A 0043 TRP CD1
H A 0038 CYS CB 3.189 C A 0045 VAL CG2
H A 0039 GLU CA 3.800 H A 0040 LYS CA
H A 0039 GLU C 2.405 H A 0040 LYS CA
H A 0039 GLU C 3.083 H A 0040 LYS C
H A 0039 GLU C 3.621 H A 0040 LYS CB
H A 0039 GLU CA 3.662 C A 0044 ILE CA
H A 0039 GLU CB 3.640 C A 0044 ILE CA
H A 0040 LYS CA 3.745 H A 0041 LYS CA
H A 0040 LYS C 2.410 H A 0041 LYS CA
H A 0040 LYS C 2.973 H A 0041 LYS C
H A 0040 LYS C 3.597 H A 0041 LYS CB
H A 0040 LYS C 3.687 H A 0041 LYS CD
H A 0041 LYS CA 3.730 H A 0042 GLY CA
H A 0041 LYS C 2.401 H A 0042 GLY CA
H A 0041 LYS C 3.598 H A 0042 GLY C
H A 0041 LYS CB 3.349 C A 0043 TRP CD1
H A 0042 GLY CA 3.686 C A 0043 TRP CD1
H A 0042 GLY C 2.421 C A 0043 TRP CA
H A 0042 GLY C 3.376 C A 0043 TRP C
H A 0042 GLY C 3.506 C A 0043 TRP CB
H A 0042 GLY C 3.545 C A 0043 TRP CG
H A 0042 GLY C 2.998 C A 0043 TRP CD1
C A 0043 TRP CA 3.685 C A 0044 ILE CA
C A 0043 TRP C 2.426 C A 0044 ILE CA
C A 0043 TRP C 3.203 C A 0044 ILE C
C A 0043 TRP C 2.752 C A 0044 ILE CB
C A 0043 TRP C 2.745 C A 0044 ILE CG1
C A 0043 TRP C 3.311 C A 0044 ILE CD1
C A 0043 TRP CB 3.694 C A 0045 VAL CG1
C A 0044 ILE CA 3.780 C A 0045 VAL CA
C A 0044 ILE C 2.418 C A 0045 VAL CA
C A 0044 ILE C 2.809 C A 0045 VAL C
C A 0044 ILE C 3.550 C A 0045 VAL CB
C A 0044 ILE C 3.657 C A 0045 VAL CG2
C A 0045 VAL C 2.426 C A 0046 ASN CA
C A 0045 VAL C 3.713 C A 0046 ASN C
C A 0045 VAL C 2.862 C A 0046 ASN CB
C A 0046 ASN C 2.427 C A 0047 ILE CA
C A 0046 ASN C 2.959 C A 0047 ILE C
C A 0046 ASN C 3.639 C A 0047 ILE CB
C A 0047 ILE C 2.423 C A 0048 THR CA
C A 0047 ILE C 3.506 C A 0048 THR C
C A 0047 ILE C 3.387 C A 0048 THR CB
C A 0048 THR C 2.425 C A 0049 SER CA
C A 0048 THR C 3.358 C A 0049 SER C
C A 0048 THR C 3.514 C A 0049 SER CB
C A 0049 SER C 2.425 C A 0050 GLN CA
C A 0049 SER C 3.642 C A 0050 GLN C
C A 0049 SER C 3.161 C A 0050 GLN CB
C A 0049 SER C 3.616 C A 0050 GLN CG
C A 0050 GLN C 2.426 C A 0051 VAL CA
C A 0050 GLN C 3.175 C A 0051 VAL C
C A 0050 GLN C 3.609 C A 0051 VAL CB
C A 0050 GLN C 3.746 C A 0051 VAL CG2
C A 0051 VAL C 2.425 C A 0052 GLN CA
C A 0051 VAL C 3.660 C A 0052 GLN C
C A 0051 VAL C 3.119 C A 0052 GLN CB
C A 0051 VAL C 3.094 C A 0052 GLN CG
C A 0052 GLN C 2.425 C A 0053 THR CA
C A 0052 GLN C 3.355 C A 0053 THR C
C A 0052 GLN C 3.517 C A 0053 THR CB
C A 0052 GLN C 3.540 C A 0053 THR CG2
C A 0053 THR C 2.424 C A 0054 GLU CA
C A 0053 THR C 2.885 C A 0054 GLU C
C A 0053 THR C 2.969 C A 0054 GLU CB
C A 0054 GLU C 2.423 C A 0055 ARG CA
C A 0054 GLU C 3.087 C A 0055 ARG C
C A 0054 GLU C 3.631 C A 0055 ARG CB
C A 0055 ARG C 2.422 C A 0056 ASN CA
C A 0055 ARG C 2.882 C A 0056 ASN C
C A 0055 ARG C 2.970 C A 0056 ASN CB
C A 0056 ASN C 2.422 C A 0057 ILE CA
C A 0056 ASN C 2.925 C A 0057 ILE C
C A 0056 ASN C 3.633 C A 0057 ILE CB
C A 0057 ILE C 2.426 C A 0058 ASN CA
C A 0057 ILE C 3.277 C A 0058 ASN C
C A 0057 ILE C 3.564 C A 0058 ASN CB
C A 0057 ILE C 3.720 C A 0058 ASN CG
C A 0058 ASN C 2.423 C A 0059 ARG CA
C A 0058 ASN C 3.278 C A 0059 ARG C
C A 0058 ASN C 3.561 C A 0059 ARG CB
C A 0059 ARG C 2.424 C A 0060 ALA CA
C A 0059 ARG C 3.638 C A 0060 ALA C
C A 0059 ARG C 3.180 C A 0060 ALA CB
CHARGE_ATTR 2.00 12.00 53
C A 0008 ASP OD1 10.42 C A 0007 LYS NZ
C A 0008 ASP OD2 9.606 C A 0007 LYS NZ
C A 0008 ASP OD1 6.877 C A 0010 LYS NZ
C A 0008 ASP OD2 8.694 C A 0010 LYS NZ
C A 0012 ASP OD1 10.68 C A 0014 LYS NZ
C A 0012 ASP OD2 11.32 C A 0014 LYS NZ
C A 0020 GLU OE1 9.587 H A 0035 ARG NH1
C A 0020 GLU OE1 7.649 H A 0035 ARG NH2
C A 0020 GLU OE2 11.12 H A 0035 ARG NH1
C A 0020 GLU OE2 9.225 H A 0035 ARG NH2
H A 0024 ASP OD1 10.73 H A 0035 ARG NH1
H A 0024 ASP OD1 9.542 H A 0035 ARG NH2
H A 0024 ASP OD2 11.65 H A 0035 ARG NH1
H A 0024 ASP OD2 10.12 H A 0035 ARG NH2
H A 0030 ASP OD1 10.05 H A 0035 ARG NH1
H A 0030 ASP OD1 11.52 H A 0035 ARG NH2
H A 0033 GLU OE1 11.64 H A 0040 LYS NZ
H A 0033 GLU OE2 10.99 H A 0040 LYS NZ
H A 0033 GLU OE1 7.616 C A 0059 ARG NH1
H A 0033 GLU OE1 6.102 C A 0059 ARG NH2
H A 0033 GLU OE2 7.124 C A 0059 ARG NH1
H A 0033 GLU OE2 5.731 C A 0059 ARG NH2
H A 0036 ASP OD1 10.18 H A 0035 ARG NH1
H A 0036 ASP OD1 11.44 H A 0035 ARG NH2
H A 0036 ASP OD2 11.69 H A 0035 ARG NH1
H A 0036 ASP OD1 8.905 H A 0040 LYS NZ
H A 0036 ASP OD2 7.606 H A 0040 LYS NZ
H A 0036 ASP OD1 11.13 H A 0041 LYS NZ
H A 0036 ASP OD2 10.20 H A 0041 LYS NZ
H A 0036 ASP OD1 10.10 C A 0055 ARG NH1
H A 0036 ASP OD1 10.35 C A 0055 ARG NH2
H A 0036 ASP OD1 10.23 C A 0059 ARG NH1
H A 0036 ASP OD1 8.865 C A 0059 ARG NH2
H A 0036 ASP OD2 8.209 C A 0059 ARG NH1
H A 0036 ASP OD2 6.734 C A 0059 ARG NH2
H A 0039 GLU OE1 10.67 H A 0035 ARG NH1
H A 0039 GLU OE1 11.12 H A 0035 ARG NH2
H A 0039 GLU OE2 9.381 H A 0035 ARG NH1
H A 0039 GLU OE2 10.21 H A 0035 ARG NH2
H A 0039 GLU OE1 7.883 H A 0040 LYS NZ
H A 0039 GLU OE2 9.346 H A 0040 LYS NZ
H A 0039 GLU OE1 9.204 H A 0041 LYS NZ
H A 0039 GLU OE2 10.88 H A 0041 LYS NZ
H A 0039 GLU OE1 8.795 C A 0055 ARG NH1
H A 0039 GLU OE1 8.319 C A 0055 ARG NH2
H A 0039 GLU OE2 7.662 C A 0055 ARG NH1
H A 0039 GLU OE2 7.613 C A 0055 ARG NH2
H A 0039 GLU OE1 11.33 C A 0059 ARG NH2
H A 0039 GLU OE2 11.45 C A 0059 ARG NH2
C A 0054 GLU OE1 11.84 C A 0055 ARG NH1
C A 0054 GLU OE1 11.91 C A 0055 ARG NH2
C A 0054 GLU OE2 10.69 C A 0055 ARG NH1
C A 0054 GLU OE2 10.44 C A 0055 ARG NH2
CHARGE_REPU 2.00 12.00 26
C A 0020 GLU OE1 5.691 H A 0024 ASP OD1
C A 0020 GLU OE1 4.887 H A 0024 ASP OD2
C A 0020 GLU OE2 4.703 H A 0024 ASP OD1
C A 0020 GLU OE2 3.246 H A 0024 ASP OD2
H A 0033 GLU OE1 9.018 H A 0036 ASP OD1
H A 0033 GLU OE1 7.404 H A 0036 ASP OD2
H A 0033 GLU OE2 7.255 H A 0036 ASP OD1
H A 0033 GLU OE2 5.733 H A 0036 ASP OD2
H A 0033 GLU OE2 11.24 H A 0039 GLU OE1
H A 0033 GLU OE2 10.42 H A 0039 GLU OE2
H A 0035 ARG NH1 9.388 C A 0055 ARG NH1
H A 0035 ARG NH1 11.17 C A 0055 ARG NH2
H A 0035 ARG NH2 9.996 C A 0055 ARG NH1
H A 0035 ARG NH2 11.61 C A 0055 ARG NH2
H A 0036 ASP OD1 4.598 H A 0039 GLU OE1
H A 0036 ASP OD1 3.283 H A 0039 GLU OE2
H A 0036 ASP OD2 5.663 H A 0039 GLU OE1
H A 0036 ASP OD2 5.021 H A 0039 GLU OE2
H A 0036 ASP OD1 11.40 C A 0054 GLU OE1
H A 0036 ASP OD1 11.33 C A 0054 GLU OE2
H A 0039 GLU OE2 11.99 C A 0054 GLU OE1
H A 0039 GLU OE2 11.37 C A 0054 GLU OE2
H A 0040 LYS NZ 5.545 H A 0041 LYS NZ
H A 0040 LYS NZ 8.448 C A 0059 ARG NH1
H A 0040 LYS NZ 7.305 C A 0059 ARG NH2
H A 0041 LYS NZ 10.83 C A 0059 ARG NH2
HB_MM 2.00 3.20 96
C A 0002 GLY N 2.196 C A 0001 MET O
C A 0003 PRO N 2.225 C A 0002 GLY O
C A 0004 LEU N 2.201 C A 0003 PRO O
C A 0005 GLN N 2.194 C A 0004 LEU O
C A 0006 TYR N 2.934 C A 0004 LEU O
C A 0006 TYR N 2.206 C A 0005 GLN O
C A 0007 LYS N 2.747 C A 0005 GLN O
C A 0007 LYS N 2.196 C A 0006 TYR O
C A 0008 ASP N 2.196 C A 0007 LYS O
C A 0009 LEU N 2.198 C A 0008 ASP O
C A 0010 LYS N 2.196 C A 0009 LEU O
C A 0011 ILE N 2.195 C A 0010 LYS O
C A 0012 ASP N 2.190 C A 0011 ILE O
C A 0013 ILE N 2.196 C A 0012 ASP O
C A 0014 LYS N 2.195 C A 0013 ILE O
C A 0015 THR N 3.031 C A 0013 ILE O
C A 0015 THR N 2.199 C A 0014 LYS O
C A 0016 SER N 2.202 C A 0015 THR O
C A 0016 SER N 2.779 H A 0042 GLY O
C A 0017 PRO N 2.211 C A 0016 SER O
C A 0017 PRO N 2.463 C A 0043 TRP O
C A 0018 PRO N 2.211 C A 0017 PRO O
C A 0019 PRO N 3.186 C A 0017 PRO O
C A 0019 PRO N 2.218 C A 0018 PRO O
C A 0020 GLU N 2.569 C A 0018 PRO O
C A 0020 GLU N 2.205 C A 0019 PRO O
C A 0021 CYS N 2.349 C A 0019 PRO O
C A 0021 CYS N 2.177 C A 0020 GLU O
H A 0022 ILE N 2.201 C A 0021 CYS O
H A 0023 ASN N 2.176 H A 0022 ILE O
H A 0024 ASP N 3.085 C A 0020 GLU O
H A 0024 ASP N 2.183 H A 0023 ASN O
H A 0025 LEU N 2.799 H A 0022 ILE O
H A 0025 LEU N 2.646 H A 0023 ASN O
H A 0025 LEU N 2.202 H A 0024 ASP O
H A 0026 LEU N 2.356 H A 0022 ILE O
H A 0026 LEU N 3.105 H A 0023 ASN O
H A 0026 LEU N 2.200 H A 0025 LEU O
H A 0027 GLN N 2.511 H A 0023 ASN O
H A 0027 GLN N 3.132 H A 0025 LEU O
H A 0027 GLN N 2.185 H A 0026 LEU O
H A 0028 ALA N 3.141 H A 0025 LEU O
H A 0028 ALA N 2.868 H A 0026 LEU O
H A 0028 ALA N 2.213 H A 0027 GLN O
H A 0029 VAL N 2.193 H A 0028 ALA O
H A 0030 ASP N 2.192 H A 0029 VAL O
H A 0031 SER N 2.173 H A 0030 ASP O
H A 0032 GLN N 2.201 H A 0031 SER O
H A 0033 GLU N 2.581 H A 0031 SER O
H A 0033 GLU N 2.176 H A 0032 GLN O
H A 0034 VAL N 2.520 H A 0031 SER O
H A 0034 VAL N 3.061 H A 0032 GLN O
H A 0034 VAL N 2.201 H A 0033 GLU O
H A 0035 ARG N 3.100 H A 0032 GLN O
H A 0035 ARG N 2.193 H A 0034 VAL O
H A 0036 ASP N 2.336 H A 0032 GLN O
H A 0036 ASP N 2.204 H A 0035 ARG O
H A 0037 TYR N 3.021 H A 0033 GLU O
H A 0037 TYR N 2.826 H A 0035 ARG O
H A 0037 TYR N 2.206 H A 0036 ASP O
H A 0038 CYS N 2.588 H A 0034 VAL O
H A 0038 CYS N 2.778 H A 0035 ARG O
H A 0038 CYS N 2.195 H A 0037 TYR O
H A 0039 GLU N 2.628 H A 0035 ARG O
H A 0039 GLU N 3.171 H A 0037 TYR O
H A 0039 GLU N 2.189 H A 0038 CYS O
H A 0040 LYS N 3.069 H A 0036 ASP O
H A 0040 LYS N 2.479 H A 0037 TYR O
H A 0040 LYS N 3.077 H A 0038 CYS O
H A 0040 LYS N 2.203 H A 0039 GLU O
H A 0041 LYS N 2.431 H A 0037 TYR O
H A 0041 LYS N 2.972 H A 0038 CYS O
H A 0041 LYS N 2.210 H A 0040 LYS O
H A 0042 GLY N 2.733 H A 0038 CYS O
H A 0042 GLY N 2.210 H A 0041 LYS O
C A 0043 TRP N 3.165 H A 0038 CYS O
C A 0043 TRP N 2.188 H A 0042 GLY O
C A 0044 ILE N 2.222 C A 0043 TRP O
C A 0045 VAL N 2.193 C A 0044 ILE O
C A 0046 ASN N 2.768 C A 0044 ILE O
C A 0046 ASN N 2.197 C A 0045 VAL O
C A 0047 ILE N 2.198 C A 0046 ASN O
C A 0048 THR N 2.197 C A 0047 ILE O
C A 0049 SER N 2.197 C A 0048 THR O
C A 0050 GLN N 2.198 C A 0049 SER O
C A 0051 VAL N 2.198 C A 0050 GLN O
C A 0052 GLN N 2.196 C A 0051 VAL O
C A 0053 THR N 2.197 C A 0052 GLN O
C A 0054 GLU N 2.196 C A 0053 THR O
C A 0055 ARG N 2.195 C A 0054 GLU O
C A 0056 ASN N 2.196 C A 0055 ARG O
C A 0057 ILE N 3.000 C A 0055 ARG O
C A 0057 ILE N 2.196 C A 0056 ASN O
C A 0058 ASN N 2.198 C A 0057 ILE O
C A 0059 ARG N 2.196 C A 0058 ASN O
C A 0060 ALA N 2.197 C A 0059 ARG O
HB_MS 2.00 3.20 6
C A 0012 ASP O 3.159 C A 0015 THR OG1
H A 0024 ASP N 2.586 H A 0023 ASN OD1
H A 0030 ASP O 3.195 H A 0031 SER OG
H A 0040 LYS N 3.132 H A 0039 GLU OE1
C A 0045 VAL O 3.130 H A 0035 ARG NH2
C A 0047 ILE N 3.000 C A 0046 ASN OD1
AROMATIC 0.00 8.00 1
H A 0041 LYS 4.468 H A 0037 TYR
COMMENT BEGIN
#########################################################################
COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "B"
HYDROPHOBIC 2.00 3.80 49
C A 0021 CYS CB 3.177 C B 0021 CYS CB
C A 0021 CYS C 3.653 H B 0022 ILE CD1
C A 0021 CYS CB 3.679 C B 0043 TRP CH2
H A 0022 ILE CD1 3.649 C B 0021 CYS C
H A 0022 ILE CG1 3.696 H B 0025 LEU CD1
H A 0022 ILE CG2 3.328 H B 0025 LEU CD1
H A 0025 LEU CD1 3.646 H B 0022 ILE CG1
H A 0025 LEU CD1 3.322 H B 0022 ILE CG2
H A 0025 LEU CD2 3.210 H B 0025 LEU CD2
H A 0025 LEU CD1 3.799 H B 0034 VAL C
H A 0025 LEU CD1 3.493 H B 0034 VAL CG1
H A 0025 LEU CD2 3.628 H B 0034 VAL CG1
H A 0025 LEU CA 3.118 H B 0037 TYR CE1
H A 0025 LEU CA 3.135 H B 0037 TYR CZ
H A 0025 LEU C 3.580 H B 0037 TYR CE1
H A 0025 LEU C 3.410 H B 0037 TYR CZ
H A 0025 LEU CB 3.520 H B 0037 TYR CE1
H A 0025 LEU CG 3.772 H B 0037 TYR CD1
H A 0025 LEU CG 3.573 H B 0037 TYR CE1
H A 0025 LEU CD1 2.934 H B 0037 TYR CD1
H A 0025 LEU CD1 3.080 H B 0037 TYR CE1
H A 0028 ALA CB 3.556 H B 0037 TYR CD2
H A 0028 ALA CB 3.073 H B 0037 TYR CE2
H A 0029 VAL CG2 3.368 H B 0033 GLU C
H A 0029 VAL CG2 3.209 H B 0033 GLU CB
H A 0029 VAL CG1 3.739 H B 0034 VAL CA
H A 0029 VAL CG1 3.147 H B 0034 VAL CG2
H A 0029 VAL CG2 3.641 H B 0034 VAL CG2
H A 0033 GLU C 3.465 H B 0029 VAL CG2
H A 0033 GLU CB 3.187 H B 0029 VAL CG2
H A 0034 VAL C 3.736 H B 0025 LEU CD1
H A 0034 VAL CG1 3.534 H B 0025 LEU CD1
H A 0034 VAL CG1 3.678 H B 0025 LEU CD2
H A 0034 VAL CG2 3.480 H B 0025 LEU CD2
H A 0034 VAL CA 3.741 H B 0029 VAL CG1
H A 0034 VAL CG2 3.160 H B 0029 VAL CG1
H A 0034 VAL CG2 3.532 H B 0034 VAL CG2
H A 0037 TYR CD1 3.770 H B 0025 LEU CG
H A 0037 TYR CD1 2.945 H B 0025 LEU CD1
H A 0037 TYR CE1 3.144 H B 0025 LEU CA
H A 0037 TYR CE1 3.659 H B 0025 LEU C
H A 0037 TYR CE1 3.528 H B 0025 LEU CB
H A 0037 TYR CE1 3.597 H B 0025 LEU CG
H A 0037 TYR CE1 3.113 H B 0025 LEU CD1
H A 0037 TYR CZ 3.151 H B 0025 LEU CA
H A 0037 TYR CZ 3.484 H B 0025 LEU C
H A 0037 TYR CD2 3.517 H B 0028 ALA CB
H A 0037 TYR CE2 3.055 H B 0028 ALA CB
C A 0043 TRP CH2 3.675 C B 0021 CYS CB
CHARGE_ATTR 2.00 12.00 12
C A 0020 GLU OE2 11.28 H B 0041 LYS NZ
H A 0024 ASP OD1 11.96 H B 0040 LYS NZ
H A 0024 ASP OD1 6.782 H B 0041 LYS NZ
H A 0024 ASP OD2 8.177 H B 0041 LYS NZ
H A 0030 ASP OD1 11.94 H B 0041 LYS NZ
H A 0041 LYS NZ 11.24 C B 0020 GLU OE2
H A 0041 LYS NZ 6.779 H B 0024 ASP OD1
H A 0041 LYS NZ 8.164 H B 0024 ASP OD2
C A 0059 ARG NH1 11.73 H B 0030 ASP OD1
C A 0059 ARG NH1 10.33 H B 0030 ASP OD2
C A 0059 ARG NH2 10.23 H B 0030 ASP OD1
C A 0059 ARG NH2 9.105 H B 0030 ASP OD2
CHARGE_REPU 2.00 12.00 9
H A 0030 ASP OD1 8.954 H B 0033 GLU OE1
H A 0030 ASP OD1 10.97 H B 0033 GLU OE2
H A 0030 ASP OD2 8.082 H B 0033 GLU OE1
H A 0030 ASP OD2 10.07 H B 0033 GLU OE2
H A 0033 GLU OE1 9.193 H B 0030 ASP OD1
H A 0033 GLU OE1 8.311 H B 0030 ASP OD2
H A 0033 GLU OE2 11.02 H B 0030 ASP OD1
H A 0033 GLU OE2 10.16 H B 0030 ASP OD2
H A 0033 GLU OE1 10.80 H B 0033 GLU OE1
HB_MS 2.00 3.20 2
H A 0024 ASP O 2.318 H B 0037 TYR OH
H A 0037 TYR OH 2.330 H B 0024 ASP O
COMMENT BEGIN
#########################################################################
COMMENT END
CONTACTS BETWEEN
CHAIN(S) "B"
AND
CHAIN(S) "B"
HYDROPHOBIC 2.00 3.80 330
C B 0001 MET C 2.424 C B 0002 GLY CA
C B 0001 MET C 3.697 C B 0002 GLY C
C B 0002 GLY CA 2.863 C B 0003 PRO CD
C B 0002 GLY C 2.431 C B 0003 PRO CA
C B 0002 GLY C 3.107 C B 0003 PRO C
C B 0002 GLY C 3.608 C B 0003 PRO CB
C B 0002 GLY C 3.622 C B 0003 PRO CG
C B 0002 GLY C 2.486 C B 0003 PRO CD
C B 0003 PRO C 2.424 C B 0004 LEU CA
C B 0003 PRO C 3.622 C B 0004 LEU C
C B 0003 PRO C 3.186 C B 0004 LEU CB
C B 0004 LEU C 2.415 C B 0005 GLN CA
C B 0004 LEU C 2.865 C B 0005 GLN C
C B 0004 LEU C 3.629 C B 0005 GLN CB
C B 0005 GLN C 2.428 C B 0006 TYR CA
C B 0005 GLN C 2.861 C B 0006 TYR C
C B 0005 GLN C 3.017 C B 0006 TYR CB
C B 0006 TYR C 2.424 C B 0007 LYS CA
C B 0006 TYR C 3.696 C B 0007 LYS C
C B 0006 TYR C 2.990 C B 0007 LYS CB
C B 0006 TYR C 3.305 C B 0007 LYS CG
C B 0007 LYS C 2.423 C B 0008 ASP CA
C B 0007 LYS C 2.925 C B 0008 ASP C
C B 0007 LYS C 3.634 C B 0008 ASP CB
C B 0008 ASP C 2.424 C B 0009 LEU CA
C B 0008 ASP C 3.061 C B 0009 LEU C
C B 0008 ASP C 3.634 C B 0009 LEU CB
C B 0009 LEU C 2.422 C B 0010 LYS CA
C B 0009 LEU C 3.635 C B 0010 LYS C
C B 0009 LEU C 3.182 C B 0010 LYS CB
C B 0010 LYS C 2.422 C B 0011 ILE CA
C B 0010 LYS C 3.480 C B 0011 ILE C
C B 0010 LYS C 3.384 C B 0011 ILE CB
C B 0010 LYS C 3.237 C B 0011 ILE CG2
C B 0011 ILE CA 3.796 C B 0012 ASP CA
C B 0011 ILE C 2.406 C B 0012 ASP CA
C B 0011 ILE C 3.695 C B 0012 ASP C
C B 0011 ILE C 2.787 C B 0012 ASP CB
C B 0011 ILE C 3.522 C B 0012 ASP CG
C B 0012 ASP C 2.426 C B 0013 ILE CA
C B 0012 ASP C 3.376 C B 0013 ILE C
C B 0012 ASP C 3.509 C B 0013 ILE CB
C B 0012 ASP C 3.588 C B 0013 ILE CG1
C B 0013 ILE C 2.426 C B 0014 LYS CA
C B 0013 ILE C 3.710 C B 0014 LYS C
C B 0013 ILE C 2.862 C B 0014 LYS CB
C B 0013 ILE C 3.296 C B 0014 LYS CG
C B 0014 LYS C 2.427 C B 0015 THR CA
C B 0014 LYS C 3.442 C B 0015 THR C
C B 0014 LYS C 3.446 C B 0015 THR CB
C B 0014 LYS C 3.656 C B 0015 THR CG2
C B 0015 THR C 2.431 C B 0016 SER CA
C B 0015 THR C 2.996 C B 0016 SER C
C B 0015 THR C 3.640 C B 0016 SER CB
C B 0015 THR CB 3.334 C B 0044 ILE CD1
C B 0016 SER CA 3.158 C B 0017 PRO CA
C B 0016 SER C 2.554 C B 0017 PRO CA
C B 0016 SER C 3.516 C B 0017 PRO C
C B 0016 SER C 3.529 C B 0017 PRO CB
C B 0016 SER C 3.479 C B 0017 PRO CG
C B 0016 SER C 2.462 C B 0017 PRO CD
C B 0016 SER CB 2.819 C B 0017 PRO CA
C B 0016 SER CB 3.722 C B 0017 PRO C
C B 0016 SER CA 3.113 C B 0018 PRO CD
C B 0016 SER C 2.762 C B 0018 PRO CD
C B 0016 SER CB 3.407 C B 0018 PRO CD
C B 0016 SER CB 3.697 C B 0019 PRO CD
C B 0016 SER CA 3.629 C B 0043 TRP CA
C B 0016 SER C 3.734 C B 0043 TRP CA
C B 0016 SER C 3.529 C B 0043 TRP C
C B 0016 SER CB 3.332 C B 0043 TRP CA
C B 0016 SER CB 3.520 C B 0043 TRP CB
C B 0017 PRO CA 3.788 C B 0018 PRO CA
C B 0017 PRO CA 2.920 C B 0018 PRO CD
C B 0017 PRO C 2.393 C B 0018 PRO CA
C B 0017 PRO C 2.973 C B 0018 PRO C
C B 0017 PRO C 3.592 C B 0018 PRO CB
C B 0017 PRO C 3.595 C B 0018 PRO CG
C B 0017 PRO C 2.493 C B 0018 PRO CD
C B 0017 PRO CD 3.406 C B 0018 PRO CD
C B 0017 PRO C 3.098 C B 0019 PRO CD
C B 0017 PRO CA 3.648 C B 0043 TRP CA
C B 0017 PRO CA 3.504 C B 0043 TRP C
C B 0017 PRO CA 3.403 C B 0043 TRP CB
C B 0017 PRO CB 3.590 C B 0043 TRP CA
C B 0017 PRO CB 3.050 C B 0043 TRP C
C B 0017 PRO CB 3.168 C B 0043 TRP CB
C B 0017 PRO CG 3.237 C B 0043 TRP C
C B 0017 PRO CD 3.727 C B 0043 TRP C
C B 0017 PRO CB 3.577 C B 0044 ILE C
C B 0017 PRO CG 3.763 C B 0044 ILE CA
C B 0017 PRO CG 3.123 C B 0044 ILE C
C B 0017 PRO CB 3.067 C B 0045 VAL CA
C B 0017 PRO CB 3.622 C B 0045 VAL CB
C B 0017 PRO CB 2.978 C B 0045 VAL CG1
C B 0017 PRO CG 3.136 C B 0045 VAL CA
C B 0018 PRO CA 2.993 C B 0019 PRO CD
C B 0018 PRO C 2.413 C B 0019 PRO CA
C B 0018 PRO C 3.019 C B 0019 PRO C
C B 0018 PRO C 3.612 C B 0019 PRO CB
C B 0018 PRO C 3.644 C B 0019 PRO CG
C B 0018 PRO C 2.520 C B 0019 PRO CD
C B 0018 PRO CB 3.525 C B 0019 PRO CD
C B 0018 PRO CG 3.135 C B 0019 PRO CD
C B 0018 PRO CD 3.044 C B 0019 PRO CD
C B 0019 PRO C 2.455 C B 0020 GLU CA
C B 0019 PRO C 3.051 C B 0020 GLU C
C B 0019 PRO C 3.660 C B 0020 GLU CB
C B 0020 GLU C 2.405 C B 0021 CYS CA
C B 0020 GLU C 3.121 C B 0021 CYS C
C B 0020 GLU C 3.676 C B 0021 CYS CB
C B 0020 GLU CA 3.539 H B 0023 ASN CG
C B 0020 GLU CB 3.210 H B 0023 ASN CG
C B 0020 GLU C 3.736 H B 0024 ASP CB
C B 0021 CYS C 2.434 H B 0022 ILE CA
C B 0021 CYS C 3.139 H B 0022 ILE C
C B 0021 CYS C 3.654 H B 0022 ILE CB
C B 0021 CYS C 3.334 H B 0022 ILE CD1
C B 0021 CYS C 3.755 H B 0025 LEU CB
H B 0022 ILE CA 3.780 H B 0023 ASN CA
H B 0022 ILE C 2.388 H B 0023 ASN CA
H B 0022 ILE C 2.928 H B 0023 ASN C
H B 0022 ILE C 3.633 H B 0023 ASN CB
H B 0022 ILE CA 3.694 H B 0025 LEU CB
H B 0022 ILE CA 3.732 H B 0025 LEU CD2
H B 0022 ILE C 3.485 H B 0025 LEU CB
H B 0022 ILE CG2 3.431 H B 0034 VAL CG1
H B 0022 ILE CG2 3.488 H B 0038 CYS CB
H B 0022 ILE CG1 3.278 C B 0043 TRP CE3
H B 0022 ILE CG1 2.940 C B 0043 TRP CZ3
H B 0022 ILE CG1 3.246 C B 0043 TRP CH2
H B 0022 ILE CD1 3.764 C B 0043 TRP CE3
H B 0022 ILE CD1 2.848 C B 0043 TRP CZ3
H B 0022 ILE CD1 2.966 C B 0043 TRP CH2
H B 0023 ASN C 2.398 H B 0024 ASP CA
H B 0023 ASN C 2.830 H B 0024 ASP C
H B 0023 ASN C 3.625 H B 0024 ASP CB
H B 0023 ASN CA 3.639 H B 0027 GLN CG
H B 0023 ASN C 3.685 H B 0027 GLN CB
H B 0023 ASN C 3.027 H B 0027 GLN CG
H B 0023 ASN CB 3.570 H B 0035 ARG CZ
H B 0024 ASP CA 3.766 H B 0025 LEU CA
H B 0024 ASP C 2.398 H B 0025 LEU CA
H B 0024 ASP C 3.170 H B 0025 LEU C
H B 0024 ASP C 3.581 H B 0025 LEU CB
H B 0025 LEU CA 3.713 H B 0026 LEU CA
H B 0025 LEU C 2.380 H B 0026 LEU CA
H B 0025 LEU C 3.040 H B 0026 LEU C
H B 0025 LEU C 3.549 H B 0026 LEU CB
H B 0025 LEU CG 3.705 H B 0026 LEU CA
H B 0025 LEU CD2 3.750 H B 0026 LEU CB
H B 0025 LEU CD2 3.581 H B 0034 VAL CG1
H B 0026 LEU CA 3.778 H B 0027 GLN CA
H B 0026 LEU C 2.381 H B 0027 GLN CA
H B 0026 LEU C 2.957 H B 0027 GLN C
H B 0026 LEU C 3.592 H B 0027 GLN CB
H B 0026 LEU CA 3.526 H B 0029 VAL CG1
H B 0026 LEU CD1 3.555 H B 0030 ASP C
H B 0026 LEU CD1 3.140 H B 0031 SER CA
H B 0026 LEU CD1 3.300 H B 0031 SER C
H B 0026 LEU CD1 2.850 H B 0031 SER CB
H B 0026 LEU CD2 3.620 H B 0031 SER C
H B 0026 LEU CB 3.377 H B 0034 VAL CG1
H B 0026 LEU CG 3.797 H B 0034 VAL CG1
H B 0026 LEU CD2 3.776 H B 0034 VAL CB
H B 0026 LEU CD2 3.374 H B 0034 VAL CG1
H B 0026 LEU CD2 3.666 H B 0035 ARG CA
H B 0026 LEU CD2 3.078 H B 0035 ARG CB
H B 0026 LEU CD2 3.149 H B 0035 ARG CG
H B 0027 GLN C 2.428 H B 0028 ALA CA
H B 0027 GLN C 3.510 H B 0028 ALA C
H B 0027 GLN C 3.415 H B 0028 ALA CB
H B 0028 ALA C 2.402 H B 0029 VAL CA
H B 0028 ALA C 3.367 H B 0029 VAL C
H B 0028 ALA C 3.485 H B 0029 VAL CB
H B 0029 VAL CA 3.790 H B 0030 ASP CA
H B 0029 VAL C 2.395 H B 0030 ASP CA
H B 0029 VAL C 2.812 H B 0030 ASP C
H B 0029 VAL C 2.892 H B 0030 ASP CB
H B 0030 ASP CA 3.751 H B 0031 SER CA
H B 0030 ASP C 2.345 H B 0031 SER CA
H B 0030 ASP C 3.633 H B 0031 SER C
H B 0030 ASP C 2.825 H B 0031 SER CB
H B 0031 SER C 2.427 H B 0032 GLN CA
H B 0031 SER C 2.890 H B 0032 GLN C
H B 0031 SER C 3.632 H B 0032 GLN CB
H B 0032 GLN C 2.399 H B 0033 GLU CA
H B 0032 GLN C 2.950 H B 0033 GLU C
H B 0032 GLN C 3.627 H B 0033 GLU CB
H B 0032 GLN C 3.622 H B 0036 ASP CB
H B 0033 GLU CA 3.795 H B 0034 VAL CA
H B 0033 GLU C 2.416 H B 0034 VAL CA
H B 0033 GLU C 3.130 H B 0034 VAL C
H B 0033 GLU C 3.593 H B 0034 VAL CB
H B 0033 GLU C 3.689 H B 0037 TYR CB
H B 0034 VAL C 2.413 H B 0035 ARG CA
H B 0034 VAL C 3.087 H B 0035 ARG C
H B 0034 VAL C 3.594 H B 0035 ARG CB
H B 0034 VAL CA 3.692 H B 0037 TYR CB
H B 0034 VAL C 3.504 H B 0037 TYR CB
H B 0035 ARG C 2.416 H B 0036 ASP CA
H B 0035 ARG C 2.840 H B 0036 ASP C
H B 0035 ARG C 3.644 H B 0036 ASP CB
H B 0035 ARG CA 3.577 H B 0038 CYS CB
H B 0035 ARG C 3.761 H B 0038 CYS CB
H B 0035 ARG C 3.685 H B 0039 GLU CG
H B 0035 ARG CG 3.488 C B 0045 VAL CG2
H B 0035 ARG CD 3.798 C B 0045 VAL CG2
H B 0035 ARG CZ 3.082 C B 0045 VAL C
H B 0035 ARG CZ 3.331 C B 0046 ASN CA
H B 0036 ASP CA 3.761 H B 0037 TYR CA
H B 0036 ASP C 2.416 H B 0037 TYR CA
H B 0036 ASP C 3.076 H B 0037 TYR C
H B 0036 ASP C 3.582 H B 0037 TYR CB
H B 0036 ASP CA 3.315 H B 0039 GLU CG
H B 0036 ASP CA 3.788 H B 0039 GLU CD
H B 0036 ASP C 3.302 H B 0039 GLU CG
H B 0037 TYR CA 3.795 H B 0038 CYS CA
H B 0037 TYR C 2.419 H B 0038 CYS CA
H B 0037 TYR C 2.890 H B 0038 CYS C
H B 0037 TYR C 3.597 H B 0038 CYS CB
H B 0037 TYR CD1 3.330 H B 0038 CYS CA
H B 0037 TYR CA 3.493 H B 0040 LYS CB
H B 0037 TYR C 3.460 H B 0040 LYS CB
H B 0037 TYR C 3.329 H B 0041 LYS CG
H B 0037 TYR C 3.538 H B 0041 LYS CD
H B 0037 TYR CG 3.796 H B 0041 LYS CG
H B 0037 TYR CG 3.611 H B 0041 LYS CD
H B 0037 TYR CD1 3.313 H B 0041 LYS CG
H B 0037 TYR CD1 3.686 H B 0041 LYS CD
H B 0037 TYR CD2 3.272 H B 0041 LYS CD
H B 0037 TYR CE1 2.895 H B 0041 LYS CG
H B 0037 TYR CE1 3.423 H B 0041 LYS CD
H B 0037 TYR CE2 3.582 H B 0041 LYS CG
H B 0037 TYR CE2 2.985 H B 0041 LYS CD
H B 0037 TYR CE2 3.009 H B 0041 LYS CE
H B 0037 TYR CZ 3.048 H B 0041 LYS CG
H B 0037 TYR CZ 3.059 H B 0041 LYS CD
H B 0037 TYR CZ 3.074 H B 0041 LYS CE
H B 0038 CYS C 2.403 H B 0039 GLU CA
H B 0038 CYS C 3.032 H B 0039 GLU C
H B 0038 CYS C 3.608 H B 0039 GLU CB
H B 0038 CYS CA 3.435 H B 0041 LYS CG
H B 0038 CYS C 3.720 H B 0041 LYS CB
H B 0038 CYS C 3.775 H B 0041 LYS CG
H B 0038 CYS C 3.446 C B 0043 TRP CD1
H B 0038 CYS CB 3.179 C B 0045 VAL CG2
H B 0039 GLU CA 3.797 H B 0040 LYS CA
H B 0039 GLU C 2.403 H B 0040 LYS CA
H B 0039 GLU C 3.079 H B 0040 LYS C
H B 0039 GLU C 3.616 H B 0040 LYS CB
H B 0039 GLU CA 3.631 C B 0044 ILE CA
H B 0039 GLU CB 3.605 C B 0044 ILE CA
H B 0040 LYS CA 3.741 H B 0041 LYS CA
H B 0040 LYS C 2.407 H B 0041 LYS CA
H B 0040 LYS C 2.967 H B 0041 LYS C
H B 0040 LYS C 3.593 H B 0041 LYS CB
H B 0040 LYS C 3.675 H B 0041 LYS CD
H B 0041 LYS CA 3.733 H B 0042 GLY CA
H B 0041 LYS C 2.401 H B 0042 GLY CA
H B 0041 LYS C 3.603 H B 0042 GLY C
H B 0041 LYS CB 3.346 C B 0043 TRP CD1
H B 0042 GLY CA 3.693 C B 0043 TRP CD1
H B 0042 GLY C 2.421 C B 0043 TRP CA
H B 0042 GLY C 3.365 C B 0043 TRP C
H B 0042 GLY C 3.518 C B 0043 TRP CB
H B 0042 GLY C 3.570 C B 0043 TRP CG
H B 0042 GLY C 3.020 C B 0043 TRP CD1
C B 0043 TRP CA 3.683 C B 0044 ILE CA
C B 0043 TRP C 2.423 C B 0044 ILE CA
C B 0043 TRP C 3.190 C B 0044 ILE C
C B 0043 TRP C 2.751 C B 0044 ILE CB
C B 0043 TRP C 2.736 C B 0044 ILE CG1
C B 0043 TRP C 3.297 C B 0044 ILE CD1
C B 0043 TRP CB 3.724 C B 0045 VAL CG1
C B 0044 ILE CA 3.783 C B 0045 VAL CA
C B 0044 ILE C 2.422 C B 0045 VAL CA
C B 0044 ILE C 2.803 C B 0045 VAL C
C B 0044 ILE C 3.542 C B 0045 VAL CB
C B 0044 ILE C 3.618 C B 0045 VAL CG2
C B 0045 VAL C 2.426 C B 0046 ASN CA
C B 0045 VAL C 3.712 C B 0046 ASN C
C B 0045 VAL C 2.869 C B 0046 ASN CB
C B 0046 ASN C 2.426 C B 0047 ILE CA
C B 0046 ASN C 3.691 C B 0047 ILE C
C B 0046 ASN C 3.046 C B 0047 ILE CB
C B 0046 ASN C 3.654 C B 0047 ILE CG2
C B 0046 ASN CG 3.690 C B 0047 ILE CG2
C B 0047 ILE C 2.427 C B 0048 THR CA
C B 0047 ILE C 3.535 C B 0048 THR C
C B 0047 ILE C 3.357 C B 0048 THR CB
C B 0047 ILE CD1 3.771 C B 0049 SER CB
C B 0048 THR C 2.423 C B 0049 SER CA
C B 0048 THR C 3.468 C B 0049 SER C
C B 0048 THR C 3.418 C B 0049 SER CB
C B 0049 SER C 2.425 C B 0050 GLN CA
C B 0049 SER C 3.102 C B 0050 GLN C
C B 0049 SER C 3.627 C B 0050 GLN CB
C B 0050 GLN C 2.424 C B 0051 VAL CA
C B 0050 GLN C 3.430 C B 0051 VAL C
C B 0050 GLN C 3.460 C B 0051 VAL CB
C B 0051 VAL C 2.424 C B 0052 GLN CA
C B 0051 VAL C 3.554 C B 0052 GLN C
C B 0051 VAL C 3.324 C B 0052 GLN CB
C B 0052 GLN C 2.425 C B 0053 THR CA
C B 0052 GLN C 3.263 C B 0053 THR C
C B 0052 GLN C 3.573 C B 0053 THR CB
C B 0052 GLN C 3.696 C B 0053 THR CG2
C B 0053 THR C 2.424 C B 0054 GLU CA
C B 0053 THR C 3.315 C B 0054 GLU C
C B 0053 THR C 3.544 C B 0054 GLU CB
C B 0054 GLU C 2.422 C B 0055 ARG CA
C B 0054 GLU C 3.403 C B 0055 ARG C
C B 0054 GLU C 3.479 C B 0055 ARG CB
C B 0055 ARG C 2.423 C B 0056 ASN CA
C B 0055 ARG C 2.935 C B 0056 ASN C
C B 0055 ARG C 3.638 C B 0056 ASN CB
C B 0056 ASN C 2.422 C B 0057 ILE CA
C B 0056 ASN C 3.525 C B 0057 ILE C
C B 0056 ASN C 3.355 C B 0057 ILE CB
C B 0056 ASN C 3.554 C B 0057 ILE CG1
C B 0057 ILE C 2.421 C B 0058 ASN CA
C B 0057 ILE C 2.844 C B 0058 ASN C
C B 0057 ILE C 3.620 C B 0058 ASN CB
C B 0058 ASN C 2.425 C B 0059 ARG CA
C B 0058 ASN C 3.493 C B 0059 ARG C
C B 0058 ASN C 3.400 C B 0059 ARG CB
C B 0059 ARG C 2.423 C B 0060 ALA CA
C B 0059 ARG C 2.938 C B 0060 ALA C
C B 0059 ARG C 2.904 C B 0060 ALA CB
CHARGE_ATTR 2.00 12.00 39
C B 0008 ASP OD1 7.256 C B 0007 LYS NZ
C B 0008 ASP OD2 7.370 C B 0007 LYS NZ
C B 0008 ASP OD1 11.21 C B 0010 LYS NZ
C B 0008 ASP OD2 10.03 C B 0010 LYS NZ
C B 0012 ASP OD1 8.593 C B 0010 LYS NZ
C B 0012 ASP OD2 6.654 C B 0010 LYS NZ
C B 0020 GLU OE1 9.683 H B 0035 ARG NH1
C B 0020 GLU OE1 7.792 H B 0035 ARG NH2
C B 0020 GLU OE2 11.24 H B 0035 ARG NH1
C B 0020 GLU OE2 9.387 H B 0035 ARG NH2
H B 0024 ASP OD1 10.88 H B 0035 ARG NH1
H B 0024 ASP OD1 9.731 H B 0035 ARG NH2
H B 0024 ASP OD2 11.77 H B 0035 ARG NH1
H B 0024 ASP OD2 10.28 H B 0035 ARG NH2
H B 0030 ASP OD1 10.08 H B 0035 ARG NH1
H B 0030 ASP OD1 11.57 H B 0035 ARG NH2
H B 0033 GLU OE1 11.42 H B 0040 LYS NZ
H B 0033 GLU OE2 11.22 H B 0040 LYS NZ
H B 0036 ASP OD1 10.13 H B 0035 ARG NH1
H B 0036 ASP OD1 11.37 H B 0035 ARG NH2
H B 0036 ASP OD2 11.65 H B 0035 ARG NH1
H B 0036 ASP OD1 9.064 H B 0040 LYS NZ
H B 0036 ASP OD2 7.535 H B 0040 LYS NZ
H B 0036 ASP OD1 11.21 H B 0041 LYS NZ
H B 0036 ASP OD2 10.03 H B 0041 LYS NZ
H B 0039 GLU OE1 10.54 H B 0035 ARG NH1
H B 0039 GLU OE1 10.95 H B 0035 ARG NH2
H B 0039 GLU OE2 9.232 H B 0035 ARG NH1
H B 0039 GLU OE2 10.03 H B 0035 ARG NH2
H B 0039 GLU OE1 7.996 H B 0040 LYS NZ
H B 0039 GLU OE2 9.418 H B 0040 LYS NZ
H B 0039 GLU OE1 9.289 H B 0041 LYS NZ
H B 0039 GLU OE2 10.88 H B 0041 LYS NZ
C B 0054 GLU OE1 4.403 C B 0014 LYS NZ
C B 0054 GLU OE2 5.409 C B 0014 LYS NZ
C B 0054 GLU OE1 7.214 C B 0055 ARG NH1
C B 0054 GLU OE1 8.511 C B 0055 ARG NH2
C B 0054 GLU OE2 5.511 C B 0055 ARG NH1
C B 0054 GLU OE2 6.949 C B 0055 ARG NH2
CHARGE_REPU 2.00 12.00 18
C B 0014 LYS NZ 7.786 C B 0055 ARG NH1
C B 0014 LYS NZ 8.080 C B 0055 ARG NH2
C B 0020 GLU OE1 5.634 H B 0024 ASP OD1
C B 0020 GLU OE1 4.809 H B 0024 ASP OD2
C B 0020 GLU OE2 4.687 H B 0024 ASP OD1
C B 0020 GLU OE2 3.195 H B 0024 ASP OD2
H B 0033 GLU OE1 8.925 H B 0036 ASP OD1
H B 0033 GLU OE1 7.446 H B 0036 ASP OD2
H B 0033 GLU OE2 7.390 H B 0036 ASP OD1
H B 0033 GLU OE2 6.098 H B 0036 ASP OD2
H B 0033 GLU OE1 11.83 H B 0039 GLU OE2
H B 0033 GLU OE2 11.44 H B 0039 GLU OE1
H B 0033 GLU OE2 10.50 H B 0039 GLU OE2
H B 0036 ASP OD1 4.661 H B 0039 GLU OE1
H B 0036 ASP OD1 3.259 H B 0039 GLU OE2
H B 0036 ASP OD2 5.491 H B 0039 GLU OE1
H B 0036 ASP OD2 4.827 H B 0039 GLU OE2
H B 0040 LYS NZ 5.278 H B 0041 LYS NZ
HB_MM 2.00 3.20 95
C B 0002 GLY N 2.196 C B 0001 MET O
C B 0003 PRO N 2.226 C B 0002 GLY O
C B 0004 LEU N 2.199 C B 0003 PRO O
C B 0005 GLN N 2.195 C B 0004 LEU O
C B 0006 TYR N 2.645 C B 0004 LEU O
C B 0006 TYR N 2.200 C B 0005 GLN O
C B 0007 LYS N 2.198 C B 0006 TYR O
C B 0008 ASP N 2.196 C B 0007 LYS O
C B 0009 LEU N 2.196 C B 0008 ASP O
C B 0010 LYS N 2.196 C B 0009 LEU O
C B 0011 ILE N 2.197 C B 0010 LYS O
C B 0012 ASP N 2.193 C B 0011 ILE O
C B 0013 ILE N 2.196 C B 0012 ASP O
C B 0014 LYS N 2.198 C B 0013 ILE O
C B 0015 THR N 2.196 C B 0014 LYS O
C B 0016 SER N 2.201 C B 0015 THR O
C B 0016 SER N 2.794 H B 0042 GLY O
C B 0017 PRO N 2.213 C B 0016 SER O
C B 0017 PRO N 2.486 C B 0043 TRP O
C B 0018 PRO N 2.211 C B 0017 PRO O
C B 0019 PRO N 3.183 C B 0017 PRO O
C B 0019 PRO N 2.219 C B 0018 PRO O
C B 0020 GLU N 2.600 C B 0018 PRO O
C B 0020 GLU N 2.206 C B 0019 PRO O
C B 0021 CYS N 2.351 C B 0019 PRO O
C B 0021 CYS N 2.179 C B 0020 GLU O
H B 0022 ILE N 2.200 C B 0021 CYS O
H B 0023 ASN N 2.175 H B 0022 ILE O
H B 0024 ASP N 3.088 C B 0020 GLU O
H B 0024 ASP N 2.182 H B 0023 ASN O
H B 0025 LEU N 2.772 H B 0022 ILE O
H B 0025 LEU N 2.618 H B 0023 ASN O
H B 0025 LEU N 2.200 H B 0024 ASP O
H B 0026 LEU N 2.347 H B 0022 ILE O
H B 0026 LEU N 3.119 H B 0023 ASN O
H B 0026 LEU N 2.198 H B 0025 LEU O
H B 0027 GLN N 2.500 H B 0023 ASN O
H B 0027 GLN N 3.063 H B 0025 LEU O
H B 0027 GLN N 2.189 H B 0026 LEU O
H B 0028 ALA N 3.059 H B 0025 LEU O
H B 0028 ALA N 2.880 H B 0026 LEU O
H B 0028 ALA N 2.214 H B 0027 GLN O
H B 0029 VAL N 2.193 H B 0028 ALA O
H B 0030 ASP N 2.189 H B 0029 VAL O
H B 0031 SER N 2.173 H B 0030 ASP O
H B 0032 GLN N 2.202 H B 0031 SER O
H B 0033 GLU N 2.589 H B 0031 SER O
H B 0033 GLU N 2.177 H B 0032 GLN O
H B 0034 VAL N 2.516 H B 0031 SER O
H B 0034 VAL N 3.086 H B 0032 GLN O
H B 0034 VAL N 2.199 H B 0033 GLU O
H B 0035 ARG N 3.127 H B 0032 GLN O
H B 0035 ARG N 2.193 H B 0034 VAL O
H B 0036 ASP N 2.350 H B 0032 GLN O
H B 0036 ASP N 2.204 H B 0035 ARG O
H B 0037 TYR N 3.022 H B 0033 GLU O
H B 0037 TYR N 2.810 H B 0035 ARG O
H B 0037 TYR N 2.205 H B 0036 ASP O
H B 0038 CYS N 2.618 H B 0034 VAL O
H B 0038 CYS N 2.767 H B 0035 ARG O
H B 0038 CYS N 2.194 H B 0037 TYR O
H B 0039 GLU N 2.631 H B 0035 ARG O
H B 0039 GLU N 3.146 H B 0037 TYR O
H B 0039 GLU N 2.188 H B 0038 CYS O
H B 0040 LYS N 3.041 H B 0036 ASP O
H B 0040 LYS N 2.474 H B 0037 TYR O
H B 0040 LYS N 3.103 H B 0038 CYS O
H B 0040 LYS N 2.203 H B 0039 GLU O
H B 0041 LYS N 2.431 H B 0037 TYR O
H B 0041 LYS N 2.992 H B 0038 CYS O
H B 0041 LYS N 2.208 H B 0040 LYS O
H B 0042 GLY N 2.738 H B 0038 CYS O
H B 0042 GLY N 2.209 H B 0041 LYS O
C B 0043 TRP N 3.140 H B 0038 CYS O
C B 0043 TRP N 2.190 H B 0042 GLY O
C B 0044 ILE N 2.220 C B 0043 TRP O
C B 0045 VAL N 2.196 C B 0044 ILE O
C B 0046 ASN N 2.626 C B 0044 ILE O
C B 0046 ASN N 2.197 C B 0045 VAL O
C B 0047 ILE N 2.196 C B 0046 ASN O
C B 0048 THR N 2.198 C B 0047 ILE O
C B 0049 SER N 2.196 C B 0048 THR O
C B 0050 GLN N 2.196 C B 0049 SER O
C B 0051 VAL N 2.891 C B 0049 SER O
C B 0051 VAL N 2.196 C B 0050 GLN O
C B 0052 GLN N 2.197 C B 0051 VAL O
C B 0053 THR N 2.197 C B 0052 GLN O
C B 0054 GLU N 2.196 C B 0053 THR O
C B 0055 ARG N 2.194 C B 0054 GLU O
C B 0056 ASN N 2.197 C B 0055 ARG O
C B 0057 ILE N 2.195 C B 0056 ASN O
C B 0058 ASN N 2.196 C B 0057 ILE O
C B 0059 ARG N 2.580 C B 0057 ILE O
C B 0059 ARG N 2.197 C B 0058 ASN O
C B 0060 ALA N 2.197 C B 0059 ARG O
HB_MS 2.00 3.20 3
H B 0024 ASP N 2.608 H B 0023 ASN OD1
C B 0045 VAL O 2.839 H B 0035 ARG NH2
C B 0050 GLN N 3.126 C B 0049 SER OG
AROMATIC 0.00 8.00 1
H B 0041 LYS 4.479 H B 0037 TYR