Complet list of 2dsm con file
Complete list of 2dsm.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 320
C A 0001 MET CA 3.795 C A 0002 VAL CA
C A 0001 MET C 2.431 C A 0002 VAL CA
C A 0001 MET C 3.501 C A 0002 VAL C
C A 0001 MET C 3.490 C A 0002 VAL CB
C A 0001 MET C 3.586 C A 0002 VAL CG1
C A 0002 VAL CA 3.785 C A 0003 GLU CA
C A 0002 VAL C 2.420 C A 0003 GLU CA
C A 0002 VAL C 3.501 C A 0003 GLU C
C A 0002 VAL C 3.442 C A 0003 GLU CB
C A 0003 GLU CA 3.786 C A 0004 ASN CA
C A 0003 GLU C 2.423 C A 0004 ASN CA
C A 0003 GLU C 3.645 C A 0004 ASN C
C A 0003 GLU C 3.221 C A 0004 ASN CB
C A 0003 GLU C 3.628 C A 0004 ASN CG
C A 0004 ASN CA 2.887 C A 0005 PRO CD
C A 0004 ASN C 2.477 C A 0005 PRO CA
C A 0004 ASN C 3.022 C A 0005 PRO C
C A 0004 ASN C 3.673 C A 0005 PRO CB
C A 0004 ASN C 3.605 C A 0005 PRO CG
C A 0004 ASN C 2.503 C A 0005 PRO CD
C A 0005 PRO CA 3.786 C A 0006 MET CA
C A 0005 PRO C 2.431 C A 0006 MET CA
C A 0005 PRO C 3.578 C A 0006 MET C
C A 0005 PRO C 3.326 C A 0006 MET CB
C A 0006 MET CA 3.786 C A 0007 VAL CA
C A 0006 MET C 2.410 C A 0007 VAL CA
C A 0006 MET C 3.116 C A 0007 VAL C
C A 0006 MET C 3.697 C A 0007 VAL CB
C A 0006 MET CG 3.646 C A 0008 ILE CG2
C A 0007 VAL CA 3.792 C A 0008 ILE CA
C A 0007 VAL C 2.429 C A 0008 ILE CA
C A 0007 VAL C 3.276 C A 0008 ILE C
C A 0007 VAL C 3.657 C A 0008 ILE CB
C A 0008 ILE CA 3.787 C A 0009 ASN CA
C A 0008 ILE C 2.418 C A 0009 ASN CA
C A 0008 ILE C 3.227 C A 0009 ASN C
C A 0008 ILE C 3.641 C A 0009 ASN CB
C A 0009 ASN CA 3.796 C A 0010 ASN CA
C A 0009 ASN C 2.430 C A 0010 ASN CA
C A 0009 ASN C 3.235 C A 0010 ASN C
C A 0009 ASN C 3.655 C A 0010 ASN CB
C A 0010 ASN C 2.443 C A 0011 TRP CA
C A 0010 ASN C 3.001 C A 0011 TRP C
C A 0010 ASN C 3.727 C A 0011 TRP CB
C A 0011 TRP C 2.459 C A 0012 HIS CA
C A 0011 TRP C 3.061 C A 0012 HIS C
C A 0011 TRP C 3.023 C A 0012 HIS CB
C A 0012 HIS C 2.443 C A 0013 ASP CA
C A 0012 HIS C 3.608 C A 0013 ASP C
C A 0012 HIS C 3.333 C A 0013 ASP CB
C A 0012 HIS C 3.268 C A 0013 ASP CG
C A 0013 ASP CA 3.792 C A 0014 LYS CA
C A 0013 ASP C 2.420 C A 0014 LYS CA
C A 0013 ASP C 3.634 C A 0014 LYS C
C A 0013 ASP C 3.241 C A 0014 LYS CB
C A 0014 LYS CA 3.796 C A 0015 LEU CA
C A 0014 LYS C 2.431 C A 0015 LEU CA
C A 0014 LYS C 3.538 C A 0015 LEU C
C A 0014 LYS C 3.419 C A 0015 LEU CB
C A 0015 LEU CA 3.793 C A 0016 THR CA
C A 0015 LEU C 2.424 C A 0016 THR CA
C A 0015 LEU C 3.323 C A 0016 THR C
C A 0015 LEU C 3.604 C A 0016 THR CB
C A 0016 THR C 2.431 C A 0017 GLU CA
C A 0016 THR C 3.051 C A 0017 GLU C
C A 0016 THR C 3.726 C A 0017 GLU CB
C A 0017 GLU C 2.430 C A 0018 THR CA
C A 0017 GLU C 3.010 C A 0018 THR C
C A 0017 GLU C 3.725 C A 0018 THR CB
C A 0018 THR C 2.436 C A 0019 ASP CA
C A 0018 THR C 3.611 C A 0019 ASP C
C A 0018 THR C 3.290 C A 0019 ASP CB
C A 0019 ASP CA 3.793 C A 0020 VAL CA
C A 0019 ASP C 2.433 C A 0020 VAL CA
C A 0019 ASP C 3.118 C A 0020 VAL C
C A 0019 ASP C 3.722 C A 0020 VAL CB
C A 0020 VAL CA 3.790 C A 0021 GLN CA
C A 0020 VAL C 2.426 C A 0021 GLN CA
C A 0020 VAL C 3.274 C A 0021 GLN C
C A 0020 VAL C 3.623 C A 0021 GLN CB
C A 0021 GLN CA 3.792 C A 0022 ILE CA
C A 0021 GLN C 2.418 C A 0022 ILE CA
C A 0021 GLN C 3.422 C A 0022 ILE C
C A 0021 GLN C 3.545 C A 0022 ILE CB
C A 0021 GLN C 3.633 C A 0022 ILE CG1
C A 0021 GLN CG 3.544 C A 0029 VAL CB
C A 0021 GLN CD 3.546 E A 0035 TYR CZ
C A 0021 GLN CB 3.737 E A 0042 ILE CD1
C A 0022 ILE CA 3.787 C A 0023 ASP CA
C A 0022 ILE C 2.419 C A 0023 ASP CA
C A 0022 ILE C 3.098 C A 0023 ASP C
C A 0022 ILE C 3.686 C A 0023 ASP CB
C A 0022 ILE CG2 3.416 C A 0026 GLY CA
C A 0022 ILE CG2 3.593 C A 0026 GLY C
C A 0023 ASP C 2.440 C A 0024 PHE CA
C A 0023 ASP C 3.013 C A 0024 PHE C
C A 0023 ASP C 3.706 C A 0024 PHE CB
C A 0023 ASP CB 3.742 C A 0029 VAL CG2
C A 0023 ASP CA 3.712 E A 0042 ILE CG2
C A 0024 PHE C 2.425 C A 0025 TYR CA
C A 0024 PHE C 3.202 C A 0025 TYR C
C A 0024 PHE C 3.663 C A 0025 TYR CB
C A 0024 PHE CB 3.786 E A 0041 GLU CG
C A 0024 PHE CD1 3.618 E A 0041 GLU CG
C A 0024 PHE CD1 3.789 E A 0041 GLU CD
C A 0025 TYR CA 3.789 C A 0026 GLY CA
C A 0025 TYR C 2.404 C A 0026 GLY CA
C A 0025 TYR C 3.214 C A 0026 GLY C
C A 0025 TYR CD1 3.521 H A 0047 ASN CB
C A 0025 TYR CE1 3.669 H A 0047 ASN CB
C A 0026 GLY CA 3.784 C A 0027 ASP CA
C A 0026 GLY C 2.416 C A 0027 ASP CA
C A 0026 GLY C 3.243 C A 0027 ASP C
C A 0026 GLY C 3.631 C A 0027 ASP CB
C A 0027 ASP C 2.451 C A 0028 GLU CA
C A 0027 ASP C 3.708 C A 0028 GLU C
C A 0027 ASP C 2.996 C A 0028 GLU CB
C A 0028 GLU CA 3.793 C A 0029 VAL CA
C A 0028 GLU C 2.418 C A 0029 VAL CA
C A 0028 GLU C 3.390 C A 0029 VAL C
C A 0028 GLU C 3.556 C A 0029 VAL CB
C A 0028 GLU C 3.624 C A 0029 VAL CG2
C A 0029 VAL CA 3.784 C A 0030 THR CA
C A 0029 VAL C 2.423 C A 0030 THR CA
C A 0029 VAL C 3.265 C A 0030 THR C
C A 0029 VAL C 3.639 C A 0030 THR CB
C A 0029 VAL CG1 3.611 E A 0035 TYR CG
C A 0029 VAL CG1 3.403 E A 0035 TYR CD1
C A 0030 THR CA 2.929 C A 0031 PRO CD
C A 0030 THR C 2.471 C A 0031 PRO CA
C A 0030 THR C 3.109 C A 0031 PRO C
C A 0030 THR C 3.665 C A 0031 PRO CB
C A 0030 THR C 3.633 C A 0031 PRO CG
C A 0030 THR C 2.511 C A 0031 PRO CD
C A 0030 THR CB 3.219 C A 0031 PRO CD
C A 0031 PRO C 2.436 C A 0032 VAL CA
C A 0031 PRO C 3.421 C A 0032 VAL C
C A 0031 PRO C 3.560 C A 0032 VAL CB
C A 0031 PRO C 3.555 C A 0032 VAL CG2
C A 0032 VAL CA 3.796 C A 0033 ASP CA
C A 0032 VAL C 2.428 C A 0033 ASP CA
C A 0032 VAL C 3.536 C A 0033 ASP C
C A 0032 VAL C 3.398 C A 0033 ASP CB
C A 0033 ASP C 2.429 C A 0034 ASP CA
C A 0033 ASP C 3.223 C A 0034 ASP C
C A 0033 ASP C 3.668 C A 0034 ASP CB
C A 0034 ASP CA 3.783 E A 0035 TYR CA
C A 0034 ASP C 2.406 E A 0035 TYR CA
C A 0034 ASP C 3.597 E A 0035 TYR C
C A 0034 ASP C 3.273 E A 0035 TYR CB
C A 0034 ASP C 3.689 H A 0045 ARG CG
C A 0034 ASP CB 3.788 H A 0045 ARG CG
E A 0035 TYR CA 3.785 E A 0036 VAL CA
E A 0035 TYR C 2.417 E A 0036 VAL CA
E A 0035 TYR C 3.554 E A 0036 VAL C
E A 0035 TYR C 3.371 E A 0036 VAL CB
E A 0035 TYR C 3.304 E A 0036 VAL CG2
E A 0035 TYR CE2 3.469 E A 0037 ILE CG1
E A 0035 TYR CD2 3.401 E A 0042 ILE CG2
E A 0036 VAL CA 3.784 E A 0037 ILE CA
E A 0036 VAL C 2.416 E A 0037 ILE CA
E A 0036 VAL C 3.280 E A 0037 ILE C
E A 0036 VAL C 3.630 E A 0037 ILE CB
E A 0036 VAL CG2 3.548 H A 0048 LEU CD2
E A 0037 ILE CA 3.795 E A 0038 ASP CA
E A 0037 ILE C 2.430 E A 0038 ASP CA
E A 0037 ILE C 3.244 E A 0038 ASP C
E A 0037 ILE C 3.656 E A 0038 ASP CB
E A 0037 ILE CG2 3.532 C A 0040 GLY CA
E A 0037 ILE CG2 3.488 C A 0040 GLY C
E A 0038 ASP CA 3.769 C A 0039 GLY CA
E A 0038 ASP C 2.412 C A 0039 GLY CA
E A 0038 ASP C 3.207 C A 0039 GLY C
E A 0038 ASP CB 3.550 E A 0043 ILE CD1
E A 0038 ASP CG 3.748 C A 0058 PHE CA
C A 0039 GLY CA 3.776 C A 0040 GLY CA
C A 0039 GLY C 2.407 C A 0040 GLY CA
C A 0039 GLY C 3.690 C A 0040 GLY C
C A 0039 GLY CA 3.643 C A 0058 PHE CA
C A 0039 GLY CA 3.524 C A 0058 PHE C
C A 0039 GLY CA 3.783 E A 0059 GLU CB
C A 0039 GLY C 3.770 E A 0059 GLU CB
C A 0040 GLY CA 3.783 E A 0041 GLU CA
C A 0040 GLY C 2.427 E A 0041 GLU CA
C A 0040 GLY C 3.236 E A 0041 GLU C
C A 0040 GLY C 3.645 E A 0041 GLU CB
E A 0041 GLU CA 3.799 E A 0042 ILE CA
E A 0041 GLU C 2.443 E A 0042 ILE CA
E A 0041 GLU C 3.283 E A 0042 ILE C
E A 0041 GLU C 3.655 E A 0042 ILE CB
E A 0042 ILE CA 3.795 E A 0043 ILE CA
E A 0042 ILE C 2.416 E A 0043 ILE CA
E A 0042 ILE C 3.533 E A 0043 ILE C
E A 0042 ILE C 3.441 E A 0043 ILE CB
E A 0042 ILE C 3.401 E A 0043 ILE CG1
E A 0042 ILE C 3.482 E A 0043 ILE CD1
E A 0043 ILE CA 3.793 E A 0044 LEU CA
E A 0043 ILE C 2.430 E A 0044 LEU CA
E A 0043 ILE C 3.001 E A 0044 LEU C
E A 0043 ILE C 3.697 E A 0044 LEU CB
E A 0043 ILE CG2 3.779 H A 0047 ASN C
E A 0043 ILE CB 3.698 H A 0048 LEU CD1
E A 0043 ILE CG2 3.471 H A 0048 LEU CA
E A 0043 ILE CG1 3.543 H A 0051 TYR CD2
E A 0043 ILE CD1 3.760 H A 0051 TYR CD2
E A 0043 ILE CD1 3.772 H A 0051 TYR CE2
E A 0044 LEU C 2.450 H A 0045 ARG CA
E A 0044 LEU C 3.009 H A 0045 ARG C
E A 0044 LEU C 3.720 H A 0045 ARG CB
E A 0044 LEU CD2 3.783 H A 0046 GLU CB
H A 0045 ARG C 2.420 H A 0046 GLU CA
H A 0045 ARG C 3.144 H A 0046 GLU C
H A 0045 ARG C 3.673 H A 0046 GLU CB
H A 0045 ARG CA 3.772 H A 0048 LEU CB
H A 0045 ARG C 3.735 H A 0048 LEU CB
H A 0045 ARG CD 3.567 H A 0048 LEU CD2
H A 0046 GLU CA 3.796 H A 0047 ASN CA
H A 0046 GLU C 2.430 H A 0047 ASN CA
H A 0046 GLU C 3.216 H A 0047 ASN C
H A 0046 GLU C 3.664 H A 0047 ASN CB
H A 0047 ASN CA 3.799 H A 0048 LEU CA
H A 0047 ASN C 2.442 H A 0048 LEU CA
H A 0047 ASN C 3.034 H A 0048 LEU C
H A 0047 ASN C 3.714 H A 0048 LEU CB
H A 0048 LEU C 2.439 H A 0049 GLU CA
H A 0048 LEU C 2.961 H A 0049 GLU C
H A 0048 LEU C 3.707 H A 0049 GLU CB
H A 0048 LEU CG 3.668 H A 0052 LEU CG
H A 0048 LEU CG 3.597 H A 0052 LEU CD1
H A 0049 GLU C 2.438 H A 0050 ARG CA
H A 0049 GLU C 3.016 H A 0050 ARG C
H A 0049 GLU C 3.709 H A 0050 ARG CB
H A 0050 ARG C 2.439 H A 0051 TYR CA
H A 0050 ARG C 3.083 H A 0051 TYR C
H A 0050 ARG C 3.706 H A 0051 TYR CB
H A 0051 TYR C 2.435 H A 0052 LEU CA
H A 0051 TYR C 3.041 H A 0052 LEU C
H A 0051 TYR C 3.724 H A 0052 LEU CB
H A 0052 LEU CA 3.780 H A 0053 ARG CA
H A 0052 LEU C 2.415 H A 0053 ARG CA
H A 0052 LEU C 3.053 H A 0053 ARG C
H A 0052 LEU C 3.692 H A 0053 ARG CB
H A 0053 ARG CA 3.794 H A 0054 GLU CA
H A 0053 ARG C 2.426 H A 0054 GLU CA
H A 0053 ARG C 3.183 H A 0054 GLU C
H A 0053 ARG C 3.679 H A 0054 GLU CB
H A 0054 GLU CA 3.796 H A 0055 GLN CA
H A 0054 GLU C 2.417 H A 0055 GLN CA
H A 0054 GLU C 3.373 H A 0055 GLN C
H A 0054 GLU C 3.570 H A 0055 GLN CB
H A 0055 GLN C 2.466 C A 0056 LEU CA
H A 0055 GLN C 2.865 C A 0056 LEU C
H A 0055 GLN C 3.188 C A 0056 LEU CB
H A 0055 GLN CG 3.547 C A 0057 GLY CA
C A 0056 LEU CA 3.772 C A 0057 GLY CA
C A 0056 LEU C 2.400 C A 0057 GLY CA
C A 0056 LEU C 3.533 C A 0057 GLY C
C A 0057 GLY C 2.448 C A 0058 PHE CA
C A 0057 GLY C 2.940 C A 0058 PHE C
C A 0057 GLY C 3.069 C A 0058 PHE CB
C A 0057 GLY C 3.160 C A 0058 PHE CG
C A 0057 GLY C 3.502 C A 0058 PHE CD1
C A 0057 GLY C 3.756 C A 0058 PHE CD2
C A 0058 PHE CA 3.773 E A 0059 GLU CA
C A 0058 PHE C 2.388 E A 0059 GLU CA
C A 0058 PHE C 3.389 E A 0059 GLU C
C A 0058 PHE C 3.478 E A 0059 GLU CB
C A 0058 PHE CD2 3.698 E A 0060 PHE CE2
C A 0058 PHE CD2 3.519 E A 0060 PHE CZ
E A 0059 GLU CA 3.799 E A 0060 PHE CA
E A 0059 GLU C 2.430 E A 0060 PHE CA
E A 0059 GLU C 3.305 E A 0060 PHE C
E A 0059 GLU C 3.626 E A 0060 PHE CB
E A 0059 GLU CG 3.623 C A 0061 LYS CE
E A 0059 GLU CD 3.414 C A 0061 LYS CE
E A 0060 PHE CA 3.774 C A 0061 LYS CA
E A 0060 PHE C 2.416 C A 0061 LYS CA
E A 0060 PHE C 3.392 C A 0061 LYS C
E A 0060 PHE C 3.528 C A 0061 LYS CB
E A 0060 PHE C 3.734 C A 0061 LYS CG
C A 0061 LYS CA 3.785 C A 0062 ASN CA
C A 0061 LYS C 2.430 C A 0062 ASN CA
C A 0061 LYS C 3.579 C A 0062 ASN C
C A 0061 LYS C 3.310 C A 0062 ASN CB
C A 0061 LYS C 3.393 C A 0062 ASN CG
C A 0062 ASN CA 3.786 C A 0063 ALA CA
C A 0062 ASN C 2.412 C A 0063 ALA CA
C A 0062 ASN C 2.939 C A 0063 ALA C
C A 0062 ASN C 3.708 C A 0063 ALA CB
C A 0063 ALA C 2.480 C A 0064 GLN CA
C A 0063 ALA C 3.140 C A 0064 GLN C
C A 0063 ALA C 2.986 C A 0064 GLN CB
C A 0064 GLN CA 3.794 C A 0065 LEU CA
C A 0064 GLN C 2.443 C A 0065 LEU CA
C A 0064 GLN C 2.977 C A 0065 LEU C
C A 0064 GLN C 3.700 C A 0065 LEU CB
C A 0065 LEU CA 3.797 C A 0066 GLU CA
C A 0065 LEU C 2.447 C A 0066 GLU CA
C A 0065 LEU C 2.950 C A 0066 GLU C
C A 0065 LEU C 3.082 C A 0066 GLU CB
C A 0066 GLU CA 3.784 C A 0067 HIS CA
C A 0066 GLU C 2.423 C A 0067 HIS CA
C A 0066 GLU C 2.990 C A 0067 HIS C
C A 0066 GLU C 3.716 C A 0067 HIS CB
C A 0067 HIS CA 3.787 C A 0068 HIS CA
C A 0067 HIS C 2.425 C A 0068 HIS CA
C A 0067 HIS C 3.156 C A 0068 HIS C
C A 0067 HIS C 3.701 C A 0068 HIS CB
C A 0068 HIS C 2.485 C A 0069 HIS CA
C A 0068 HIS C 2.964 C A 0069 HIS C
C A 0068 HIS C 3.248 C A 0069 HIS CB
C A 0069 HIS C 2.436 C A 0070 HIS CA
C A 0069 HIS C 3.642 C A 0070 HIS C
C A 0069 HIS C 3.232 C A 0070 HIS CB
C A 0070 HIS C 2.480 C A 0071 HIS CA
C A 0070 HIS C 3.210 C A 0071 HIS C
C A 0070 HIS C 2.971 C A 0071 HIS CB
C A 0071 HIS C 2.421 C A 0072 HIS CA
C A 0071 HIS C 3.562 C A 0072 HIS C
C A 0071 HIS C 3.357 C A 0072 HIS CB
CHARGE_ATTR 2.00 12.00 61
C A 0013 ASP OD1 4.303 C A 0012 HIS ND1
C A 0013 ASP OD1 6.149 C A 0012 HIS NE2
C A 0013 ASP OD2 2.631 C A 0012 HIS ND1
C A 0013 ASP OD2 4.511 C A 0012 HIS NE2
C A 0013 ASP OD1 10.98 C A 0014 LYS NZ
C A 0013 ASP OD2 11.47 C A 0014 LYS NZ
C A 0017 GLU OE1 10.39 C A 0014 LYS NZ
C A 0017 GLU OE2 8.729 C A 0014 LYS NZ
C A 0033 ASP OD1 9.427 H A 0045 ARG NH1
C A 0033 ASP OD1 9.789 H A 0045 ARG NH2
C A 0033 ASP OD2 10.80 H A 0045 ARG NH1
C A 0033 ASP OD2 10.90 H A 0045 ARG NH2
C A 0034 ASP OD1 6.644 H A 0045 ARG NH1
C A 0034 ASP OD1 8.035 H A 0045 ARG NH2
C A 0034 ASP OD2 6.183 H A 0045 ARG NH1
C A 0034 ASP OD2 6.979 H A 0045 ARG NH2
E A 0041 GLU OE1 11.05 C A 0061 LYS NZ
H A 0046 GLU OE1 11.79 H A 0045 ARG NH1
H A 0046 GLU OE1 10.54 H A 0045 ARG NH2
H A 0046 GLU OE2 11.42 H A 0045 ARG NH1
H A 0046 GLU OE2 9.858 H A 0045 ARG NH2
H A 0046 GLU OE1 11.71 H A 0050 ARG NH1
H A 0046 GLU OE2 11.56 H A 0050 ARG NH1
H A 0049 GLU OE1 8.492 H A 0045 ARG NH1
H A 0049 GLU OE1 7.027 H A 0045 ARG NH2
H A 0049 GLU OE2 10.18 H A 0045 ARG NH1
H A 0049 GLU OE2 8.957 H A 0045 ARG NH2
H A 0049 GLU OE1 8.074 H A 0050 ARG NH1
H A 0049 GLU OE1 8.155 H A 0050 ARG NH2
H A 0049 GLU OE2 7.185 H A 0050 ARG NH1
H A 0049 GLU OE2 6.717 H A 0050 ARG NH2
H A 0049 GLU OE1 6.713 H A 0053 ARG NH1
H A 0049 GLU OE1 8.727 H A 0053 ARG NH2
H A 0049 GLU OE2 4.977 H A 0053 ARG NH1
H A 0049 GLU OE2 6.940 H A 0053 ARG NH2
H A 0054 GLU OE1 6.991 H A 0050 ARG NH1
H A 0054 GLU OE1 5.369 H A 0050 ARG NH2
H A 0054 GLU OE2 8.279 H A 0050 ARG NH1
H A 0054 GLU OE2 7.064 H A 0050 ARG NH2
H A 0054 GLU OE1 8.631 H A 0053 ARG NH1
H A 0054 GLU OE1 7.633 H A 0053 ARG NH2
H A 0054 GLU OE2 10.80 H A 0053 ARG NH1
H A 0054 GLU OE2 9.785 H A 0053 ARG NH2
E A 0059 GLU OE1 4.115 C A 0061 LYS NZ
E A 0059 GLU OE2 4.142 C A 0061 LYS NZ
C A 0066 GLU OE1 8.022 C A 0067 HIS ND1
C A 0066 GLU OE1 8.310 C A 0067 HIS NE2
C A 0066 GLU OE2 6.408 C A 0067 HIS ND1
C A 0066 GLU OE2 6.333 C A 0067 HIS NE2
C A 0066 GLU OE1 7.062 C A 0068 HIS ND1
C A 0066 GLU OE1 7.516 C A 0068 HIS NE2
C A 0066 GLU OE2 6.957 C A 0068 HIS ND1
C A 0066 GLU OE2 7.858 C A 0068 HIS NE2
C A 0066 GLU OE1 6.025 C A 0069 HIS ND1
C A 0066 GLU OE1 7.479 C A 0069 HIS NE2
C A 0066 GLU OE2 4.565 C A 0069 HIS ND1
C A 0066 GLU OE2 5.757 C A 0069 HIS NE2
C A 0066 GLU OE1 8.774 C A 0071 HIS ND1
C A 0066 GLU OE1 10.71 C A 0071 HIS NE2
C A 0066 GLU OE2 9.178 C A 0071 HIS ND1
C A 0066 GLU OE2 11.25 C A 0071 HIS NE2
CHARGE_REPU 2.00 12.00 122
C A 0012 HIS ND1 11.52 C A 0014 LYS NZ
C A 0017 GLU OE1 9.495 C A 0019 ASP OD1
C A 0017 GLU OE1 10.75 C A 0019 ASP OD2
C A 0017 GLU OE2 10.86 C A 0019 ASP OD1
C A 0017 GLU OE2 12.00 C A 0019 ASP OD2
C A 0017 GLU OE1 9.736 C A 0028 GLU OE1
C A 0017 GLU OE1 10.20 C A 0028 GLU OE2
C A 0017 GLU OE2 9.557 C A 0028 GLU OE1
C A 0017 GLU OE2 10.15 C A 0028 GLU OE2
C A 0023 ASP OD1 5.729 C A 0027 ASP OD1
C A 0023 ASP OD1 5.270 C A 0027 ASP OD2
C A 0023 ASP OD2 6.840 C A 0027 ASP OD1
C A 0023 ASP OD2 6.627 C A 0027 ASP OD2
C A 0023 ASP OD1 8.966 C A 0028 GLU OE1
C A 0023 ASP OD1 9.670 C A 0028 GLU OE2
C A 0023 ASP OD2 11.09 C A 0028 GLU OE1
C A 0023 ASP OD2 11.73 C A 0028 GLU OE2
C A 0023 ASP OD1 7.846 C A 0033 ASP OD1
C A 0023 ASP OD1 8.559 C A 0033 ASP OD2
C A 0023 ASP OD2 8.240 C A 0033 ASP OD1
C A 0023 ASP OD2 9.252 C A 0033 ASP OD2
C A 0023 ASP OD2 11.97 E A 0038 ASP OD2
C A 0023 ASP OD1 9.286 E A 0041 GLU OE1
C A 0023 ASP OD1 8.004 E A 0041 GLU OE2
C A 0023 ASP OD2 8.800 E A 0041 GLU OE1
C A 0023 ASP OD2 7.700 E A 0041 GLU OE2
C A 0023 ASP OD1 8.622 H A 0046 GLU OE1
C A 0023 ASP OD1 10.74 H A 0046 GLU OE2
C A 0023 ASP OD2 8.199 H A 0046 GLU OE1
C A 0023 ASP OD2 10.18 H A 0046 GLU OE2
C A 0027 ASP OD1 7.348 C A 0028 GLU OE1
C A 0027 ASP OD1 8.512 C A 0028 GLU OE2
C A 0027 ASP OD2 6.392 C A 0028 GLU OE1
C A 0027 ASP OD2 7.072 C A 0028 GLU OE2
C A 0027 ASP OD1 8.677 C A 0033 ASP OD1
C A 0027 ASP OD1 7.939 C A 0033 ASP OD2
C A 0027 ASP OD2 6.760 C A 0033 ASP OD1
C A 0027 ASP OD2 5.986 C A 0033 ASP OD2
C A 0027 ASP OD1 6.259 H A 0046 GLU OE1
C A 0027 ASP OD1 8.274 H A 0046 GLU OE2
C A 0027 ASP OD2 6.398 H A 0046 GLU OE1
C A 0027 ASP OD2 8.387 H A 0046 GLU OE2
C A 0028 GLU OE1 10.49 C A 0033 ASP OD1
C A 0028 GLU OE1 9.520 C A 0033 ASP OD2
C A 0028 GLU OE2 9.662 C A 0033 ASP OD1
C A 0028 GLU OE2 8.667 C A 0033 ASP OD2
C A 0033 ASP OD1 6.653 C A 0034 ASP OD1
C A 0033 ASP OD1 6.016 C A 0034 ASP OD2
C A 0033 ASP OD2 7.587 C A 0034 ASP OD1
C A 0033 ASP OD2 6.605 C A 0034 ASP OD2
C A 0033 ASP OD1 7.790 H A 0046 GLU OE1
C A 0033 ASP OD1 8.912 H A 0046 GLU OE2
C A 0033 ASP OD2 7.366 H A 0046 GLU OE1
C A 0033 ASP OD2 8.405 H A 0046 GLU OE2
C A 0034 ASP OD2 10.86 H A 0046 GLU OE1
C A 0034 ASP OD2 10.76 H A 0046 GLU OE2
E A 0038 ASP OD1 10.55 E A 0041 GLU OE1
E A 0038 ASP OD1 10.36 E A 0041 GLU OE2
E A 0038 ASP OD2 9.206 E A 0041 GLU OE1
E A 0038 ASP OD2 9.329 E A 0041 GLU OE2
E A 0038 ASP OD2 11.87 H A 0049 GLU OE2
E A 0038 ASP OD2 11.17 H A 0054 GLU OE1
E A 0038 ASP OD2 11.25 H A 0054 GLU OE2
E A 0038 ASP OD1 8.829 E A 0059 GLU OE1
E A 0038 ASP OD1 8.970 E A 0059 GLU OE2
E A 0038 ASP OD2 8.244 E A 0059 GLU OE1
E A 0038 ASP OD2 8.339 E A 0059 GLU OE2
E A 0041 GLU OE1 9.729 E A 0059 GLU OE1
E A 0041 GLU OE1 8.008 E A 0059 GLU OE2
E A 0041 GLU OE2 10.90 E A 0059 GLU OE1
E A 0041 GLU OE2 9.105 E A 0059 GLU OE2
H A 0046 GLU OE2 11.50 H A 0049 GLU OE1
H A 0049 GLU OE1 11.74 H A 0054 GLU OE1
H A 0049 GLU OE2 9.869 H A 0054 GLU OE1
H A 0049 GLU OE2 11.68 H A 0054 GLU OE2
H A 0050 ARG NH1 7.179 H A 0053 ARG NH1
H A 0050 ARG NH1 6.983 H A 0053 ARG NH2
H A 0050 ARG NH2 5.607 H A 0053 ARG NH1
H A 0050 ARG NH2 5.071 H A 0053 ARG NH2
C A 0067 HIS ND1 8.795 C A 0068 HIS ND1
C A 0067 HIS ND1 9.444 C A 0068 HIS NE2
C A 0067 HIS NE2 9.067 C A 0068 HIS ND1
C A 0067 HIS NE2 10.15 C A 0068 HIS NE2
C A 0067 HIS ND1 8.370 C A 0069 HIS ND1
C A 0067 HIS ND1 8.729 C A 0069 HIS NE2
C A 0067 HIS NE2 7.197 C A 0069 HIS ND1
C A 0067 HIS NE2 7.160 C A 0069 HIS NE2
C A 0067 HIS NE2 11.95 C A 0070 HIS ND1
C A 0067 HIS NE2 11.84 C A 0070 HIS NE2
C A 0068 HIS ND1 7.165 C A 0069 HIS ND1
C A 0068 HIS ND1 9.131 C A 0069 HIS NE2
C A 0068 HIS NE2 8.985 C A 0069 HIS ND1
C A 0068 HIS NE2 10.98 C A 0069 HIS NE2
C A 0068 HIS ND1 8.395 C A 0070 HIS ND1
C A 0068 HIS ND1 8.519 C A 0070 HIS NE2
C A 0068 HIS NE2 10.12 C A 0070 HIS ND1
C A 0068 HIS NE2 9.984 C A 0070 HIS NE2
C A 0068 HIS ND1 4.949 C A 0071 HIS ND1
C A 0068 HIS ND1 6.758 C A 0071 HIS NE2
C A 0068 HIS NE2 5.934 C A 0071 HIS ND1
C A 0068 HIS NE2 7.421 C A 0071 HIS NE2
C A 0068 HIS ND1 11.36 C A 0072 HIS ND1
C A 0069 HIS ND1 9.665 C A 0070 HIS ND1
C A 0069 HIS ND1 10.79 C A 0070 HIS NE2
C A 0069 HIS NE2 10.48 C A 0070 HIS ND1
C A 0069 HIS NE2 11.65 C A 0070 HIS NE2
C A 0069 HIS ND1 7.948 C A 0071 HIS ND1
C A 0069 HIS ND1 9.907 C A 0071 HIS NE2
C A 0069 HIS NE2 9.946 C A 0071 HIS ND1
C A 0069 HIS NE2 11.83 C A 0071 HIS NE2
C A 0070 HIS ND1 8.856 C A 0071 HIS ND1
C A 0070 HIS ND1 9.635 C A 0071 HIS NE2
C A 0070 HIS NE2 9.883 C A 0071 HIS ND1
C A 0070 HIS NE2 10.70 C A 0071 HIS NE2
C A 0070 HIS ND1 7.123 C A 0072 HIS ND1
C A 0070 HIS ND1 7.445 C A 0072 HIS NE2
C A 0070 HIS NE2 8.465 C A 0072 HIS ND1
C A 0070 HIS NE2 8.393 C A 0072 HIS NE2
C A 0071 HIS ND1 8.499 C A 0072 HIS ND1
C A 0071 HIS ND1 10.16 C A 0072 HIS NE2
C A 0071 HIS NE2 7.595 C A 0072 HIS ND1
C A 0071 HIS NE2 9.268 C A 0072 HIS NE2
HB_MM 2.00 3.20 101
C A 0002 VAL N 2.247 C A 0001 MET O
C A 0003 GLU N 2.244 C A 0002 VAL O
C A 0004 ASN N 2.245 C A 0003 GLU O
C A 0005 PRO N 2.261 C A 0004 ASN O
C A 0006 MET N 3.155 C A 0004 ASN O
C A 0006 MET N 2.245 C A 0005 PRO O
C A 0007 VAL N 2.243 C A 0006 MET O
C A 0008 ILE N 2.963 C A 0006 MET O
C A 0008 ILE N 2.248 C A 0007 VAL O
C A 0009 ASN N 2.243 C A 0008 ILE O
C A 0010 ASN N 2.248 C A 0009 ASN O
C A 0011 TRP N 2.255 C A 0010 ASN O
C A 0012 HIS N 2.261 C A 0011 TRP O
C A 0013 ASP N 2.783 C A 0011 TRP O
C A 0013 ASP N 2.247 C A 0012 HIS O
C A 0014 LYS N 2.245 C A 0013 ASP O
C A 0015 LEU N 2.248 C A 0014 LYS O
C A 0016 THR N 2.241 C A 0015 LEU O
C A 0017 GLU N 2.246 C A 0016 THR O
C A 0018 THR N 2.248 C A 0017 GLU O
C A 0019 ASP N 2.249 C A 0018 THR O
C A 0020 VAL N 2.245 C A 0019 ASP O
C A 0021 GLN N 2.249 C A 0020 VAL O
C A 0022 ILE N 2.239 C A 0021 GLN O
C A 0023 ASP N 2.247 C A 0022 ILE O
C A 0024 PHE N 2.253 C A 0023 ASP O
C A 0024 PHE N 2.619 E A 0042 ILE O
C A 0025 TYR N 3.197 C A 0023 ASP O
C A 0025 TYR N 2.244 C A 0024 PHE O
C A 0026 GLY N 3.110 C A 0023 ASP O
C A 0026 GLY N 2.245 C A 0025 TYR O
C A 0027 ASP N 2.244 C A 0026 GLY O
C A 0028 GLU N 2.257 C A 0027 ASP O
C A 0029 VAL N 2.895 C A 0021 GLN O
C A 0029 VAL N 2.240 C A 0028 GLU O
C A 0030 THR N 2.244 C A 0029 VAL O
C A 0031 PRO N 2.251 C A 0030 THR O
C A 0032 VAL N 3.041 C A 0030 THR O
C A 0032 VAL N 2.247 C A 0031 PRO O
C A 0033 ASP N 3.008 C A 0030 THR O
C A 0033 ASP N 2.245 C A 0032 VAL O
C A 0034 ASP N 2.248 C A 0033 ASP O
E A 0035 TYR N 2.235 C A 0034 ASP O
E A 0036 VAL N 2.233 E A 0035 TYR O
E A 0036 VAL N 2.851 E A 0043 ILE O
E A 0037 ILE N 2.242 E A 0036 VAL O
E A 0038 ASP N 2.257 E A 0037 ILE O
E A 0038 ASP N 2.813 E A 0041 GLU O
C A 0039 GLY N 2.246 E A 0038 ASP O
C A 0040 GLY N 2.915 E A 0038 ASP O
C A 0040 GLY N 2.234 C A 0039 GLY O
E A 0041 GLU N 2.253 C A 0040 GLY O
E A 0042 ILE N 2.244 E A 0041 GLU O
E A 0043 ILE N 2.912 E A 0036 VAL O
E A 0043 ILE N 2.230 E A 0042 ILE O
E A 0044 LEU N 2.251 E A 0043 ILE O
H A 0045 ARG N 3.004 C A 0034 ASP O
H A 0045 ARG N 2.251 E A 0044 LEU O
H A 0046 GLU N 2.837 E A 0044 LEU O
H A 0046 GLU N 2.240 H A 0045 ARG O
H A 0047 ASN N 2.915 E A 0044 LEU O
H A 0047 ASN N 2.244 H A 0046 GLU O
H A 0048 LEU N 2.833 E A 0044 LEU O
H A 0048 LEU N 2.253 H A 0047 ASN O
H A 0049 GLU N 2.248 H A 0048 LEU O
H A 0050 ARG N 2.250 H A 0049 GLU O
H A 0051 TYR N 3.176 H A 0047 ASN O
H A 0051 TYR N 3.041 H A 0048 LEU O
H A 0051 TYR N 2.255 H A 0050 ARG O
H A 0052 LEU N 2.741 H A 0048 LEU O
H A 0052 LEU N 2.247 H A 0051 TYR O
H A 0053 ARG N 3.143 H A 0049 GLU O
H A 0053 ARG N 2.232 H A 0052 LEU O
H A 0054 GLU N 3.066 H A 0050 ARG O
H A 0054 GLU N 3.141 H A 0051 TYR O
H A 0054 GLU N 2.249 H A 0053 ARG O
H A 0055 GLN N 2.698 H A 0051 TYR O
H A 0055 GLN N 2.246 H A 0054 GLU O
C A 0056 LEU N 3.066 H A 0052 LEU O
C A 0056 LEU N 2.270 H A 0055 GLN O
C A 0057 GLY N 3.076 H A 0055 GLN O
C A 0057 GLY N 2.241 C A 0056 LEU O
C A 0058 PHE N 2.260 C A 0057 GLY O
E A 0059 GLU N 2.232 C A 0058 PHE O
E A 0060 PHE N 2.247 E A 0059 GLU O
C A 0061 LYS N 2.243 E A 0060 PHE O
C A 0062 ASN N 2.240 C A 0061 LYS O
C A 0063 ALA N 2.245 C A 0062 ASN O
C A 0064 GLN N 2.275 C A 0063 ALA O
C A 0065 LEU N 2.628 C A 0063 ALA O
C A 0065 LEU N 2.254 C A 0064 GLN O
C A 0066 GLU N 2.260 C A 0065 LEU O
C A 0067 HIS N 2.245 C A 0066 GLU O
C A 0068 HIS N 2.244 C A 0067 HIS O
C A 0069 HIS N 2.660 C A 0067 HIS O
C A 0069 HIS N 2.272 C A 0068 HIS O
C A 0070 HIS N 2.723 C A 0068 HIS O
C A 0070 HIS N 2.251 C A 0069 HIS O
C A 0071 HIS N 2.268 C A 0070 HIS O
C A 0072 HIS N 2.771 C A 0070 HIS O
C A 0072 HIS N 2.237 C A 0071 HIS O
HB_MS 2.00 3.20 7
C A 0025 TYR N 2.946 C A 0023 ASP OD2
C A 0027 ASP N 2.776 C A 0023 ASP OD1
C A 0028 GLU N 3.064 C A 0027 ASP OD2
C A 0034 ASP N 3.160 C A 0033 ASP OD1
E A 0042 ILE N 2.778 E A 0041 GLU OE2
C A 0058 PHE N 2.902 E A 0038 ASP OD1
C A 0072 HIS O 3.072 C A 0070 HIS ND1
HB_SS 2.00 3.20 3
E A 0035 TYR OH 2.974 C A 0021 GLN OE1
E A 0038 ASP OD2 2.637 H A 0055 GLN NE2
H A 0055 GLN NE2 3.167 H A 0051 TYR OH
AROMATIC 0.00 8.00 2
C A 0014 LYS 6.537 C A 0011 TRP
C A 0024 PHE 5.594 C A 0025 TYR
COMMENT BEGIN
#########################################################################
COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "B"
HYDROPHOBIC 2.00 3.80 30
C A 0032 VAL C 3.782 C B 0063 ALA CB
E A 0035 TYR CD1 3.721 E B 0061 LYS CB
E A 0035 TYR CE1 3.319 E B 0061 LYS CB
E A 0035 TYR CZ 3.385 E B 0061 LYS CB
E A 0035 TYR CZ 3.719 E B 0061 LYS CG
E A 0037 ILE CG2 3.713 C B 0039 GLY CA
E A 0037 ILE CG2 3.605 C B 0039 GLY C
C A 0039 GLY CA 3.735 C B 0039 GLY CA
C A 0039 GLY C 3.604 C B 0039 GLY CA
H A 0052 LEU CD2 3.408 E B 0058 PHE CE1
C A 0056 LEU CG 3.658 E B 0058 PHE CZ
C A 0056 LEU CD2 3.788 E B 0058 PHE CE2
C A 0056 LEU CD2 3.409 E B 0058 PHE CZ
C A 0058 PHE CD2 3.697 H B 0052 LEU CD2
C A 0058 PHE CE2 3.715 H B 0052 LEU CD2
C A 0058 PHE CZ 3.776 C B 0056 LEU CG
C A 0058 PHE CZ 3.743 C B 0056 LEU CD1
C A 0058 PHE CB 3.790 C B 0057 GLY CA
C A 0058 PHE CG 3.586 C B 0057 GLY CA
C A 0058 PHE CD1 3.708 C B 0057 GLY CA
C A 0058 PHE CE1 3.454 E B 0058 PHE CE2
C A 0058 PHE CE1 3.514 E B 0058 PHE CZ
E A 0059 GLU CB 3.710 E B 0037 ILE CB
E A 0060 PHE CD1 3.642 E B 0036 VAL CG1
E A 0060 PHE CD1 3.522 E B 0036 VAL CG2
E A 0060 PHE CZ 3.760 H B 0052 LEU CD1
C A 0061 LYS CB 3.723 E B 0035 TYR CE1
C A 0061 LYS CB 3.705 E B 0035 TYR CZ
C A 0061 LYS CG 3.799 E B 0035 TYR CE2
C A 0061 LYS CG 3.649 E B 0035 TYR CZ
CHARGE_ATTR 2.00 12.00 28
C A 0019 ASP OD1 10.35 E B 0061 LYS NZ
C A 0019 ASP OD2 9.323 E B 0061 LYS NZ
C A 0033 ASP OD1 11.63 E B 0061 LYS NZ
C A 0034 ASP OD1 11.13 E B 0061 LYS NZ
E A 0041 GLU OE2 11.52 E B 0061 LYS NZ
H A 0045 ARG NH1 11.08 C B 0066 GLU OE1
H A 0045 ARG NH1 11.29 C B 0066 GLU OE2
C A 0061 LYS NZ 10.07 C B 0019 ASP OD1
C A 0061 LYS NZ 11.32 C B 0019 ASP OD2
C A 0061 LYS NZ 11.83 C B 0034 ASP OD2
C A 0067 HIS ND1 8.359 C B 0033 ASP OD1
C A 0067 HIS ND1 9.626 C B 0033 ASP OD2
C A 0067 HIS NE2 8.675 C B 0033 ASP OD1
C A 0067 HIS NE2 9.614 C B 0033 ASP OD2
C A 0067 HIS ND1 6.342 C B 0034 ASP OD1
C A 0067 HIS ND1 6.885 C B 0034 ASP OD2
C A 0067 HIS NE2 5.684 C B 0034 ASP OD1
C A 0067 HIS NE2 6.787 C B 0034 ASP OD2
C A 0067 HIS ND1 11.69 C B 0046 GLU OE1
C A 0067 HIS ND1 10.49 C B 0046 GLU OE2
C A 0067 HIS NE2 10.12 C B 0046 GLU OE1
C A 0067 HIS NE2 9.202 C B 0046 GLU OE2
C A 0069 HIS ND1 10.01 C B 0034 ASP OD1
C A 0069 HIS ND1 10.62 C B 0034 ASP OD2
C A 0069 HIS NE2 9.160 C B 0034 ASP OD1
C A 0069 HIS NE2 10.04 C B 0034 ASP OD2
C A 0069 HIS NE2 11.43 C B 0046 GLU OE1
C A 0069 HIS NE2 11.37 C B 0046 GLU OE2
CHARGE_REPU 2.00 12.00 22
C A 0019 ASP OD2 11.42 E B 0059 GLU OE1
C A 0033 ASP OD1 11.64 C B 0066 GLU OE1
C A 0033 ASP OD1 10.14 C B 0066 GLU OE2
C A 0033 ASP OD2 10.29 C B 0066 GLU OE2
C A 0034 ASP OD1 5.685 C B 0066 GLU OE1
C A 0034 ASP OD1 5.090 C B 0066 GLU OE2
C A 0034 ASP OD2 7.013 C B 0066 GLU OE1
C A 0034 ASP OD2 6.218 C B 0066 GLU OE2
E A 0038 ASP OD1 8.547 E B 0038 ASP OD1
E A 0038 ASP OD1 8.701 E B 0038 ASP OD2
E A 0038 ASP OD2 10.24 E B 0038 ASP OD1
E A 0038 ASP OD2 10.66 E B 0038 ASP OD2
E A 0038 ASP OD1 11.26 E B 0059 GLU OE1
E A 0038 ASP OD1 11.88 E B 0059 GLU OE2
E A 0041 GLU OE2 11.05 E B 0059 GLU OE1
E A 0059 GLU OE1 9.823 E B 0038 ASP OD1
E A 0059 GLU OE1 11.65 E B 0038 ASP OD2
E A 0059 GLU OE2 10.37 E B 0038 ASP OD1
C A 0066 GLU OE1 10.16 C B 0034 ASP OD1
C A 0066 GLU OE1 9.518 C B 0034 ASP OD2
C A 0066 GLU OE2 8.432 C B 0034 ASP OD1
C A 0066 GLU OE2 8.163 C B 0034 ASP OD2
HB_MM 2.00 3.20 7
E A 0035 TYR N 2.839 E B 0061 LYS O
E A 0035 TYR O 2.845 E B 0061 LYS N
E A 0037 ILE N 2.958 E B 0059 GLU O
E A 0037 ILE O 3.057 E B 0059 GLU N
C A 0039 GLY O 3.058 C B 0040 GLY N
C A 0039 GLY N 3.056 C B 0057 GLY O
E A 0059 GLU O 2.832 E B 0037 ILE N
HB_MS 2.00 3.20 2
C A 0034 ASP OD1 2.759 C B 0063 ALA N
C A 0063 ALA N 2.852 C B 0034 ASP OD2
HB_SS 2.00 3.20 2
C A 0034 ASP OD1 2.907 C B 0062 ASN ND2
E A 0035 TYR OH 2.858 E B 0061 LYS NZ
AROMATIC 0.00 8.00 3
H A 0045 ARG 7.592 E B 0060 PHE
E A 0035 TYR 5.077 E B 0061 LYS
C A 0058 PHE 5.080 E B 0058 PHE
COMMENT BEGIN
#########################################################################
COMMENT END
CONTACTS BETWEEN
CHAIN(S) "B"
AND
CHAIN(S) "B"
HYDROPHOBIC 2.00 3.80 329
C B 0001 MET CA 3.796 C B 0002 VAL CA
C B 0001 MET C 2.432 C B 0002 VAL CA
C B 0001 MET C 3.293 C B 0002 VAL C
C B 0001 MET C 3.652 C B 0002 VAL CB
C B 0002 VAL C 2.477 C B 0003 GLU CA
C B 0002 VAL C 3.199 C B 0003 GLU C
C B 0002 VAL C 2.994 C B 0003 GLU CB
C B 0002 VAL C 3.617 C B 0003 GLU CG
C B 0003 GLU C 2.425 C B 0004 ASN CA
C B 0003 GLU C 3.144 C B 0004 ASN C
C B 0003 GLU C 3.674 C B 0004 ASN CB
C B 0004 ASN CA 2.901 C B 0005 PRO CD
C B 0004 ASN C 2.475 C B 0005 PRO CA
C B 0004 ASN C 3.120 C B 0005 PRO C
C B 0004 ASN C 3.671 C B 0005 PRO CB
C B 0004 ASN C 3.605 C B 0005 PRO CG
C B 0004 ASN C 2.501 C B 0005 PRO CD
C B 0005 PRO CA 3.799 C B 0006 MET CA
C B 0005 PRO C 2.433 C B 0006 MET CA
C B 0005 PRO C 3.417 C B 0006 MET C
C B 0005 PRO C 3.542 C B 0006 MET CB
C B 0006 MET CA 3.793 C B 0007 VAL CA
C B 0006 MET C 2.428 C B 0007 VAL CA
C B 0006 MET C 3.479 C B 0007 VAL C
C B 0006 MET C 3.507 C B 0007 VAL CB
C B 0006 MET C 3.605 C B 0007 VAL CG1
C B 0007 VAL CA 3.794 C B 0008 ILE CA
C B 0007 VAL C 2.429 C B 0008 ILE CA
C B 0007 VAL C 3.525 C B 0008 ILE C
C B 0007 VAL C 3.453 C B 0008 ILE CB
C B 0007 VAL C 3.501 C B 0008 ILE CG2
C B 0008 ILE CA 3.795 C B 0009 ASN CA
C B 0008 ILE C 2.423 C B 0009 ASN CA
C B 0008 ILE C 3.276 C B 0009 ASN C
C B 0008 ILE C 3.621 C B 0009 ASN CB
C B 0009 ASN CA 3.791 C B 0010 ASN CA
C B 0009 ASN C 2.426 C B 0010 ASN CA
C B 0009 ASN C 3.604 C B 0010 ASN C
C B 0009 ASN C 3.301 C B 0010 ASN CB
C B 0010 ASN CA 3.794 C B 0011 TRP CA
C B 0010 ASN C 2.428 C B 0011 TRP CA
C B 0010 ASN C 3.248 C B 0011 TRP C
C B 0010 ASN C 3.645 C B 0011 TRP CB
C B 0011 TRP CA 3.782 C B 0012 HIS CA
C B 0011 TRP C 2.424 C B 0012 HIS CA
C B 0011 TRP C 3.201 C B 0012 HIS C
C B 0011 TRP C 3.654 C B 0012 HIS CB
C B 0012 HIS CA 3.794 C B 0013 ASP CA
C B 0012 HIS C 2.450 C B 0013 ASP CA
C B 0012 HIS C 3.027 C B 0013 ASP C
C B 0012 HIS C 3.718 C B 0013 ASP CB
C B 0013 ASP CA 3.787 C B 0014 LYS CA
C B 0013 ASP C 2.416 C B 0014 LYS CA
C B 0013 ASP C 3.325 C B 0014 LYS C
C B 0013 ASP C 3.579 C B 0014 LYS CB
C B 0013 ASP C 3.743 C B 0014 LYS CG
C B 0014 LYS C 2.438 C B 0015 LEU CA
C B 0014 LYS C 3.485 C B 0015 LEU C
C B 0014 LYS C 3.488 C B 0015 LEU CB
C B 0015 LEU CA 3.799 C B 0016 THR CA
C B 0015 LEU C 2.434 C B 0016 THR CA
C B 0015 LEU C 3.101 C B 0016 THR C
C B 0015 LEU C 3.708 C B 0016 THR CB
C B 0016 THR C 2.439 C B 0017 GLU CA
C B 0016 THR C 3.023 C B 0017 GLU C
C B 0016 THR C 3.726 C B 0017 GLU CB
C B 0017 GLU CA 3.798 C B 0018 THR CA
C B 0017 GLU C 2.427 C B 0018 THR CA
C B 0017 GLU C 3.214 C B 0018 THR C
C B 0017 GLU C 3.673 C B 0018 THR CB
C B 0018 THR C 2.441 C B 0019 ASP CA
C B 0018 THR C 3.479 C B 0019 ASP C
C B 0018 THR C 3.465 C B 0019 ASP CB
C B 0019 ASP CA 3.784 C B 0020 VAL CA
C B 0019 ASP C 2.432 C B 0020 VAL CA
C B 0019 ASP C 3.292 C B 0020 VAL C
C B 0019 ASP C 3.647 C B 0020 VAL CB
C B 0020 VAL CA 3.792 C B 0021 GLN CA
C B 0020 VAL C 2.434 C B 0021 GLN CA
C B 0020 VAL C 3.591 C B 0021 GLN C
C B 0020 VAL C 3.311 C B 0021 GLN CB
C B 0020 VAL C 3.774 C B 0021 GLN CG
C B 0021 GLN C 2.423 C B 0022 ILE CA
C B 0021 GLN C 3.553 C B 0022 ILE C
C B 0021 GLN C 3.412 C B 0022 ILE CB
C B 0021 GLN C 3.344 C B 0022 ILE CG1
C B 0021 GLN CB 3.631 E B 0042 ILE CD1
C B 0021 GLN CD 3.767 E B 0042 ILE CD1
C B 0022 ILE C 2.438 C B 0023 ASP CA
C B 0022 ILE C 3.175 C B 0023 ASP C
C B 0022 ILE C 3.680 C B 0023 ASP CB
C B 0022 ILE CG2 3.369 C B 0026 GLY CA
C B 0022 ILE CG2 3.513 C B 0026 GLY C
C B 0023 ASP C 2.440 C B 0024 PHE CA
C B 0023 ASP C 3.126 C B 0024 PHE C
C B 0023 ASP C 3.685 C B 0024 PHE CB
C B 0023 ASP CB 3.753 C B 0029 VAL CG2
C B 0023 ASP CA 3.704 E B 0042 ILE C
C B 0024 PHE C 2.429 C B 0025 TYR CA
C B 0024 PHE C 3.184 C B 0025 TYR C
C B 0024 PHE C 3.689 C B 0025 TYR CB
C B 0024 PHE CD2 3.776 H B 0051 TYR CE1
C B 0025 TYR CA 3.787 C B 0026 GLY CA
C B 0025 TYR C 2.399 C B 0026 GLY CA
C B 0025 TYR C 3.468 C B 0026 GLY C
C B 0026 GLY CA 3.787 C B 0027 ASP CA
C B 0026 GLY C 2.417 C B 0027 ASP CA
C B 0026 GLY C 3.174 C B 0027 ASP C
C B 0026 GLY C 3.663 C B 0027 ASP CB
C B 0027 ASP C 2.466 C B 0028 GLU CA
C B 0027 ASP C 3.687 C B 0028 GLU C
C B 0027 ASP C 2.990 C B 0028 GLU CB
C B 0028 GLU CA 3.778 C B 0029 VAL CA
C B 0028 GLU C 2.404 C B 0029 VAL CA
C B 0028 GLU C 3.400 C B 0029 VAL C
C B 0028 GLU C 3.536 C B 0029 VAL CB
C B 0028 GLU C 3.580 C B 0029 VAL CG2
C B 0029 VAL CA 3.764 C B 0030 THR CA
C B 0029 VAL C 2.414 C B 0030 THR CA
C B 0029 VAL C 3.479 C B 0030 THR C
C B 0029 VAL C 3.432 C B 0030 THR CB
C B 0029 VAL C 3.460 C B 0030 THR CG2
C B 0029 VAL CG1 3.475 E B 0035 TYR CB
C B 0029 VAL CG1 3.363 E B 0035 TYR CG
C B 0029 VAL CG1 3.338 E B 0035 TYR CD1
C B 0029 VAL CG2 3.525 E B 0044 LEU CD2
C B 0030 THR CA 2.959 C B 0031 PRO CD
C B 0030 THR C 2.476 C B 0031 PRO CA
C B 0030 THR C 3.156 C B 0031 PRO C
C B 0030 THR C 3.659 C B 0031 PRO CB
C B 0030 THR C 3.639 C B 0031 PRO CG
C B 0030 THR C 2.510 C B 0031 PRO CD
C B 0030 THR CB 3.231 C B 0031 PRO CD
C B 0031 PRO C 2.432 C B 0032 VAL CA
C B 0031 PRO C 3.391 C B 0032 VAL C
C B 0031 PRO C 3.580 C B 0032 VAL CB
C B 0031 PRO C 3.657 C B 0032 VAL CG2
C B 0032 VAL CA 3.791 C B 0033 ASP CA
C B 0032 VAL C 2.430 C B 0033 ASP CA
C B 0032 VAL C 3.371 C B 0033 ASP C
C B 0032 VAL C 3.575 C B 0033 ASP CB
C B 0033 ASP CA 3.792 C B 0034 ASP CA
C B 0033 ASP C 2.445 C B 0034 ASP CA
C B 0033 ASP C 3.099 C B 0034 ASP C
C B 0033 ASP C 3.708 C B 0034 ASP CB
C B 0034 ASP CA 3.794 E B 0035 TYR CA
C B 0034 ASP C 2.426 E B 0035 TYR CA
C B 0034 ASP C 3.654 E B 0035 TYR C
C B 0034 ASP C 3.210 E B 0035 TYR CB
C B 0034 ASP C 3.664 C B 0045 ARG CB
E B 0035 TYR CA 3.791 E B 0036 VAL CA
E B 0035 TYR C 2.428 E B 0036 VAL CA
E B 0035 TYR C 3.557 E B 0036 VAL C
E B 0035 TYR C 3.370 E B 0036 VAL CB
E B 0035 TYR C 3.331 E B 0036 VAL CG2
E B 0035 TYR CE2 3.619 E B 0037 ILE CG1
E B 0035 TYR CE2 3.675 E B 0037 ILE CD1
E B 0035 TYR CD2 3.492 E B 0042 ILE CG2
E B 0036 VAL CA 3.794 E B 0037 ILE CA
E B 0036 VAL C 2.417 E B 0037 ILE CA
E B 0036 VAL C 3.424 E B 0037 ILE C
E B 0036 VAL C 3.533 E B 0037 ILE CB
E B 0036 VAL C 3.565 E B 0037 ILE CG1
E B 0036 VAL CG2 3.794 C B 0045 ARG CG
E B 0036 VAL CB 3.178 H B 0048 LEU CG
E B 0036 VAL CB 3.467 H B 0048 LEU CD2
E B 0036 VAL CG1 3.728 H B 0048 LEU CG
E B 0036 VAL CG1 3.679 H B 0048 LEU CD2
E B 0036 VAL CG2 3.413 H B 0048 LEU CG
E B 0036 VAL CG2 3.709 H B 0048 LEU CD1
E B 0037 ILE CA 3.794 E B 0038 ASP CA
E B 0037 ILE C 2.451 E B 0038 ASP CA
E B 0037 ILE C 3.328 E B 0038 ASP C
E B 0037 ILE C 3.640 E B 0038 ASP CB
E B 0037 ILE CG2 3.756 C B 0040 GLY CA
E B 0037 ILE CG2 3.516 C B 0040 GLY C
E B 0037 ILE CG2 3.611 E B 0041 GLU C
E B 0038 ASP CA 3.768 C B 0039 GLY CA
E B 0038 ASP C 2.413 C B 0039 GLY CA
E B 0038 ASP C 3.104 C B 0039 GLY C
E B 0038 ASP CB 3.526 E B 0043 ILE CD1
E B 0038 ASP CG 3.798 E B 0043 ILE CD1
E B 0038 ASP CB 3.669 H B 0051 TYR CD2
E B 0038 ASP CB 3.702 H B 0051 TYR CE2
E B 0038 ASP CG 3.462 H B 0051 TYR CD2
E B 0038 ASP CA 3.695 C B 0057 GLY CA
E B 0038 ASP CB 3.710 C B 0057 GLY CA
E B 0038 ASP CG 3.330 C B 0057 GLY CA
C B 0039 GLY CA 3.776 C B 0040 GLY CA
C B 0039 GLY C 2.405 C B 0040 GLY CA
C B 0039 GLY C 3.473 C B 0040 GLY C
C B 0040 GLY CA 3.789 E B 0041 GLU CA
C B 0040 GLY C 2.423 E B 0041 GLU CA
C B 0040 GLY C 3.301 E B 0041 GLU C
C B 0040 GLY C 3.599 E B 0041 GLU CB
E B 0041 GLU CA 3.799 E B 0042 ILE CA
E B 0041 GLU C 2.438 E B 0042 ILE CA
E B 0041 GLU C 3.247 E B 0042 ILE C
E B 0041 GLU C 3.670 E B 0042 ILE CB
E B 0042 ILE CA 3.800 E B 0043 ILE CA
E B 0042 ILE C 2.427 E B 0043 ILE CA
E B 0042 ILE C 3.565 E B 0043 ILE C
E B 0042 ILE C 3.423 E B 0043 ILE CB
E B 0042 ILE C 3.354 E B 0043 ILE CG1
E B 0042 ILE C 3.448 E B 0043 ILE CD1
E B 0043 ILE CA 3.798 E B 0044 LEU CA
E B 0043 ILE C 2.430 E B 0044 LEU CA
E B 0043 ILE C 2.906 E B 0044 LEU C
E B 0043 ILE C 3.714 E B 0044 LEU CB
E B 0043 ILE CG1 3.721 H B 0051 TYR CG
E B 0043 ILE CG1 3.690 H B 0051 TYR CD2
E B 0043 ILE CD1 3.576 H B 0051 TYR CD2
E B 0043 ILE CD1 3.749 H B 0051 TYR CE2
E B 0044 LEU CA 3.796 C B 0045 ARG CA
E B 0044 LEU C 2.424 C B 0045 ARG CA
E B 0044 LEU C 3.030 C B 0045 ARG C
E B 0044 LEU C 3.710 C B 0045 ARG CB
C B 0045 ARG C 2.436 C B 0046 GLU CA
C B 0045 ARG C 3.137 C B 0046 GLU C
C B 0045 ARG C 3.690 C B 0046 GLU CB
C B 0045 ARG CA 3.497 H B 0048 LEU CB
C B 0046 GLU C 2.444 H B 0047 ASN CA
C B 0046 GLU C 3.501 H B 0047 ASN C
C B 0046 GLU C 3.475 H B 0047 ASN CB
H B 0047 ASN CA 3.784 H B 0048 LEU CA
H B 0047 ASN C 2.427 H B 0048 LEU CA
H B 0047 ASN C 3.075 H B 0048 LEU C
H B 0047 ASN C 3.687 H B 0048 LEU CB
H B 0048 LEU C 2.427 H B 0049 GLU CA
H B 0048 LEU C 2.977 H B 0049 GLU C
H B 0048 LEU C 3.714 H B 0049 GLU CB
H B 0048 LEU CD1 3.397 H B 0052 LEU CG
H B 0048 LEU CD1 3.418 H B 0052 LEU CD1
H B 0049 GLU C 2.436 H B 0050 ARG CA
H B 0049 GLU C 3.021 H B 0050 ARG C
H B 0049 GLU C 3.709 H B 0050 ARG CB
H B 0050 ARG CA 3.792 H B 0051 TYR CA
H B 0050 ARG C 2.422 H B 0051 TYR CA
H B 0050 ARG C 3.077 H B 0051 TYR C
H B 0050 ARG C 3.691 H B 0051 TYR CB
H B 0050 ARG CZ 3.760 H B 0054 GLU CD
H B 0051 TYR C 2.437 H B 0052 LEU CA
H B 0051 TYR C 3.056 H B 0052 LEU C
H B 0051 TYR C 3.734 H B 0052 LEU CB
H B 0052 LEU CA 3.786 H B 0053 ARG CA
H B 0052 LEU C 2.415 H B 0053 ARG CA
H B 0052 LEU C 3.062 H B 0053 ARG C
H B 0052 LEU C 3.690 H B 0053 ARG CB
H B 0052 LEU CA 3.617 C B 0056 LEU CA
H B 0052 LEU C 3.769 C B 0056 LEU CA
H B 0052 LEU CD2 3.748 C B 0056 LEU CA
H B 0052 LEU CD2 3.756 C B 0056 LEU C
H B 0053 ARG C 2.419 H B 0054 GLU CA
H B 0053 ARG C 3.311 H B 0054 GLU C
H B 0053 ARG C 3.601 H B 0054 GLU CB
H B 0054 GLU C 2.438 H B 0055 GLN CA
H B 0054 GLU C 3.360 H B 0055 GLN C
H B 0054 GLU C 3.606 H B 0055 GLN CB
H B 0055 GLN C 2.466 C B 0056 LEU CA
H B 0055 GLN C 3.187 C B 0056 LEU C
H B 0055 GLN C 2.950 C B 0056 LEU CB
C B 0056 LEU C 2.430 C B 0057 GLY CA
C B 0056 LEU C 3.195 C B 0057 GLY C
C B 0057 GLY CA 3.794 E B 0058 PHE CA
C B 0057 GLY C 2.416 E B 0058 PHE CA
C B 0057 GLY C 3.344 E B 0058 PHE C
C B 0057 GLY C 3.590 E B 0058 PHE CB
E B 0058 PHE CA 3.761 E B 0059 GLU CA
E B 0058 PHE C 2.402 E B 0059 GLU CA
E B 0058 PHE C 3.192 E B 0059 GLU C
E B 0058 PHE C 3.645 E B 0059 GLU CB
E B 0058 PHE CB 3.649 E B 0060 PHE CE2
E B 0058 PHE CB 3.749 E B 0060 PHE CZ
E B 0059 GLU CA 3.789 E B 0060 PHE CA
E B 0059 GLU C 2.427 E B 0060 PHE CA
E B 0059 GLU C 3.106 E B 0060 PHE C
E B 0059 GLU C 3.693 E B 0060 PHE CB
E B 0059 GLU CG 3.592 E B 0061 LYS CG
E B 0059 GLU CG 3.429 E B 0061 LYS CD
E B 0059 GLU CD 3.494 E B 0061 LYS CD
E B 0060 PHE CA 3.771 E B 0061 LYS CA
E B 0060 PHE C 2.409 E B 0061 LYS CA
E B 0060 PHE C 3.443 E B 0061 LYS C
E B 0060 PHE C 3.469 E B 0061 LYS CB
E B 0060 PHE C 3.582 E B 0061 LYS CG
E B 0061 LYS CA 3.773 C B 0062 ASN CA
E B 0061 LYS C 2.413 C B 0062 ASN CA
E B 0061 LYS C 3.020 C B 0062 ASN C
E B 0061 LYS C 3.698 C B 0062 ASN CB
C B 0062 ASN C 2.432 C B 0063 ALA CA
C B 0062 ASN C 2.945 C B 0063 ALA C
C B 0062 ASN C 3.703 C B 0063 ALA CB
C B 0063 ALA C 2.461 C B 0064 GLN CA
C B 0063 ALA C 3.043 C B 0064 GLN C
C B 0063 ALA C 3.018 C B 0064 GLN CB
C B 0064 GLN CA 3.789 C B 0065 LEU CA
C B 0064 GLN C 2.431 C B 0065 LEU CA
C B 0064 GLN C 3.471 C B 0065 LEU C
C B 0064 GLN C 3.454 C B 0065 LEU CB
C B 0065 LEU CA 3.791 C B 0066 GLU CA
C B 0065 LEU C 2.438 C B 0066 GLU CA
C B 0065 LEU C 3.108 C B 0066 GLU C
C B 0065 LEU C 3.716 C B 0066 GLU CB
C B 0065 LEU C 3.776 C B 0067 HIS CD2
C B 0066 GLU CA 3.777 C B 0067 HIS CA
C B 0066 GLU C 2.422 C B 0067 HIS CA
C B 0066 GLU C 3.214 C B 0067 HIS C
C B 0066 GLU C 3.643 C B 0067 HIS CB
C B 0067 HIS CA 3.780 C B 0068 HIS CA
C B 0067 HIS C 2.423 C B 0068 HIS CA
C B 0067 HIS C 3.035 C B 0068 HIS C
C B 0067 HIS C 3.702 C B 0068 HIS CB
C B 0068 HIS CA 3.793 C B 0069 HIS CA
C B 0068 HIS C 2.428 C B 0069 HIS CA
C B 0068 HIS C 3.006 C B 0069 HIS C
C B 0068 HIS C 3.717 C B 0069 HIS CB
C B 0069 HIS CA 3.781 C B 0070 HIS CA
C B 0069 HIS C 2.425 C B 0070 HIS CA
C B 0069 HIS C 3.621 C B 0070 HIS C
C B 0069 HIS C 3.223 C B 0070 HIS CB
C B 0070 HIS CA 3.789 C B 0071 HIS CA
C B 0070 HIS C 2.424 C B 0071 HIS CA
C B 0070 HIS C 3.083 C B 0071 HIS C
C B 0070 HIS C 3.689 C B 0071 HIS CB
C B 0070 HIS CE1 3.442 C B 0072 HIS C
C B 0071 HIS CA 3.793 C B 0072 HIS CA
C B 0071 HIS C 2.428 C B 0072 HIS CA
C B 0071 HIS C 3.593 C B 0072 HIS C
C B 0071 HIS C 3.313 C B 0072 HIS CB
CHARGE_ATTR 2.00 12.00 45
C B 0013 ASP OD1 8.003 C B 0012 HIS ND1
C B 0013 ASP OD1 8.432 C B 0012 HIS NE2
C B 0013 ASP OD2 9.595 C B 0012 HIS ND1
C B 0013 ASP OD2 10.12 C B 0012 HIS NE2
C B 0013 ASP OD1 7.008 C B 0014 LYS NZ
C B 0013 ASP OD2 6.615 C B 0014 LYS NZ
C B 0034 ASP OD1 7.460 C B 0045 ARG NH1
C B 0034 ASP OD1 9.210 C B 0045 ARG NH2
C B 0034 ASP OD2 7.317 C B 0045 ARG NH1
C B 0034 ASP OD2 8.629 C B 0045 ARG NH2
E B 0038 ASP OD1 11.08 C B 0045 ARG NH1
E B 0038 ASP OD1 10.16 C B 0045 ARG NH2
E B 0038 ASP OD2 11.41 C B 0045 ARG NH2
E B 0041 GLU OE1 8.931 E B 0061 LYS NZ
E B 0041 GLU OE2 9.969 E B 0061 LYS NZ
C B 0046 GLU OE1 7.908 C B 0045 ARG NH1
C B 0046 GLU OE1 10.06 C B 0045 ARG NH2
C B 0046 GLU OE2 6.851 C B 0045 ARG NH1
C B 0046 GLU OE2 8.931 C B 0045 ARG NH2
H B 0049 GLU OE1 6.100 C B 0045 ARG NH1
H B 0049 GLU OE1 5.160 C B 0045 ARG NH2
H B 0049 GLU OE2 4.740 C B 0045 ARG NH1
H B 0049 GLU OE2 3.838 C B 0045 ARG NH2
H B 0049 GLU OE1 10.03 H B 0053 ARG NH1
H B 0049 GLU OE1 8.406 H B 0053 ARG NH2
H B 0049 GLU OE2 11.24 H B 0053 ARG NH1
H B 0049 GLU OE2 9.456 H B 0053 ARG NH2
H B 0054 GLU OE1 4.622 H B 0050 ARG NH1
H B 0054 GLU OE1 3.057 H B 0050 ARG NH2
H B 0054 GLU OE2 5.282 H B 0050 ARG NH1
H B 0054 GLU OE2 3.245 H B 0050 ARG NH2
H B 0054 GLU OE1 7.254 H B 0053 ARG NH1
H B 0054 GLU OE1 7.261 H B 0053 ARG NH2
H B 0054 GLU OE2 7.488 H B 0053 ARG NH1
H B 0054 GLU OE2 8.131 H B 0053 ARG NH2
E B 0059 GLU OE1 2.758 E B 0061 LYS NZ
E B 0059 GLU OE2 4.351 E B 0061 LYS NZ
C B 0066 GLU OE1 9.712 C B 0067 HIS ND1
C B 0066 GLU OE1 8.499 C B 0067 HIS NE2
C B 0066 GLU OE2 9.213 C B 0067 HIS ND1
C B 0066 GLU OE2 8.105 C B 0067 HIS NE2
C B 0066 GLU OE1 11.61 C B 0068 HIS ND1
C B 0066 GLU OE1 11.56 C B 0068 HIS NE2
C B 0066 GLU OE2 11.60 C B 0068 HIS ND1
C B 0066 GLU OE2 11.37 C B 0068 HIS NE2
CHARGE_REPU 2.00 12.00 124
C B 0017 GLU OE2 11.70 C B 0019 ASP OD1
C B 0017 GLU OE1 11.54 C B 0028 GLU OE2
C B 0017 GLU OE2 11.43 C B 0028 GLU OE2
C B 0019 ASP OD1 11.08 C B 0028 GLU OE1
C B 0019 ASP OD1 11.84 C B 0028 GLU OE2
C B 0019 ASP OD2 9.521 C B 0028 GLU OE1
C B 0019 ASP OD2 10.56 C B 0028 GLU OE2
C B 0019 ASP OD1 10.13 C B 0033 ASP OD1
C B 0019 ASP OD1 11.20 C B 0033 ASP OD2
C B 0019 ASP OD2 8.706 C B 0033 ASP OD1
C B 0019 ASP OD2 10.08 C B 0033 ASP OD2
C B 0023 ASP OD1 5.610 C B 0027 ASP OD1
C B 0023 ASP OD1 5.695 C B 0027 ASP OD2
C B 0023 ASP OD2 7.120 C B 0027 ASP OD1
C B 0023 ASP OD2 6.718 C B 0027 ASP OD2
C B 0023 ASP OD1 9.646 C B 0028 GLU OE1
C B 0023 ASP OD1 9.388 C B 0028 GLU OE2
C B 0023 ASP OD2 11.71 C B 0028 GLU OE1
C B 0023 ASP OD2 11.56 C B 0028 GLU OE2
C B 0023 ASP OD1 9.292 C B 0033 ASP OD1
C B 0023 ASP OD1 7.522 C B 0033 ASP OD2
C B 0023 ASP OD2 10.47 C B 0033 ASP OD1
C B 0023 ASP OD2 8.466 C B 0033 ASP OD2
C B 0023 ASP OD2 10.87 E B 0038 ASP OD1
C B 0023 ASP OD2 11.63 E B 0038 ASP OD2
C B 0023 ASP OD1 10.69 E B 0041 GLU OE2
C B 0023 ASP OD2 10.95 E B 0041 GLU OE1
C B 0023 ASP OD2 9.879 E B 0041 GLU OE2
C B 0023 ASP OD1 11.30 C B 0046 GLU OE1
C B 0023 ASP OD1 10.66 C B 0046 GLU OE2
C B 0023 ASP OD2 10.63 C B 0046 GLU OE1
C B 0023 ASP OD2 10.10 C B 0046 GLU OE2
C B 0027 ASP OD1 6.386 C B 0028 GLU OE1
C B 0027 ASP OD1 6.920 C B 0028 GLU OE2
C B 0027 ASP OD2 8.458 C B 0028 GLU OE1
C B 0027 ASP OD2 8.786 C B 0028 GLU OE2
C B 0027 ASP OD1 6.944 C B 0033 ASP OD1
C B 0027 ASP OD1 6.095 C B 0033 ASP OD2
C B 0027 ASP OD2 8.710 C B 0033 ASP OD1
C B 0027 ASP OD2 7.583 C B 0033 ASP OD2
C B 0027 ASP OD1 10.16 C B 0046 GLU OE1
C B 0027 ASP OD1 9.874 C B 0046 GLU OE2
C B 0027 ASP OD2 9.588 C B 0046 GLU OE1
C B 0027 ASP OD2 9.723 C B 0046 GLU OE2
C B 0028 GLU OE1 6.849 C B 0033 ASP OD1
C B 0028 GLU OE1 7.663 C B 0033 ASP OD2
C B 0028 GLU OE2 8.622 C B 0033 ASP OD1
C B 0028 GLU OE2 9.083 C B 0033 ASP OD2
C B 0033 ASP OD1 7.632 C B 0034 ASP OD1
C B 0033 ASP OD1 8.490 C B 0034 ASP OD2
C B 0033 ASP OD2 7.324 C B 0034 ASP OD1
C B 0033 ASP OD2 8.266 C B 0034 ASP OD2
C B 0033 ASP OD1 10.17 C B 0046 GLU OE1
C B 0033 ASP OD1 8.695 C B 0046 GLU OE2
C B 0033 ASP OD2 8.840 C B 0046 GLU OE1
C B 0033 ASP OD2 7.320 C B 0046 GLU OE2
C B 0034 ASP OD1 6.957 C B 0046 GLU OE1
C B 0034 ASP OD1 5.182 C B 0046 GLU OE2
C B 0034 ASP OD2 8.796 C B 0046 GLU OE1
C B 0034 ASP OD2 6.878 C B 0046 GLU OE2
C B 0034 ASP OD1 11.62 H B 0049 GLU OE2
C B 0034 ASP OD2 11.48 H B 0049 GLU OE2
E B 0038 ASP OD1 8.476 E B 0041 GLU OE1
E B 0038 ASP OD1 9.749 E B 0041 GLU OE2
E B 0038 ASP OD2 7.826 E B 0041 GLU OE1
E B 0038 ASP OD2 9.382 E B 0041 GLU OE2
E B 0038 ASP OD1 9.914 H B 0049 GLU OE1
E B 0038 ASP OD1 8.389 H B 0049 GLU OE2
E B 0038 ASP OD2 10.18 H B 0049 GLU OE1
E B 0038 ASP OD2 9.037 H B 0049 GLU OE2
E B 0038 ASP OD1 10.89 H B 0054 GLU OE1
E B 0038 ASP OD2 9.351 H B 0054 GLU OE1
E B 0038 ASP OD2 10.67 H B 0054 GLU OE2
E B 0038 ASP OD1 11.58 E B 0059 GLU OE1
E B 0038 ASP OD1 10.61 E B 0059 GLU OE2
E B 0038 ASP OD2 11.07 E B 0059 GLU OE1
E B 0038 ASP OD2 9.979 E B 0059 GLU OE2
E B 0041 GLU OE1 11.37 H B 0054 GLU OE1
E B 0041 GLU OE1 6.747 E B 0059 GLU OE1
E B 0041 GLU OE1 4.647 E B 0059 GLU OE2
E B 0041 GLU OE2 8.063 E B 0059 GLU OE1
E B 0041 GLU OE2 5.997 E B 0059 GLU OE2
C B 0046 GLU OE1 11.48 H B 0049 GLU OE1
C B 0046 GLU OE1 10.30 H B 0049 GLU OE2
C B 0046 GLU OE2 11.13 H B 0049 GLU OE1
C B 0046 GLU OE2 9.623 H B 0049 GLU OE2
H B 0050 ARG NH1 4.904 H B 0053 ARG NH1
H B 0050 ARG NH1 4.915 H B 0053 ARG NH2
H B 0050 ARG NH2 6.189 H B 0053 ARG NH1
H B 0050 ARG NH2 6.558 H B 0053 ARG NH2
C B 0067 HIS ND1 10.23 C B 0068 HIS ND1
C B 0067 HIS ND1 11.40 C B 0068 HIS NE2
C B 0067 HIS NE2 11.45 C B 0068 HIS ND1
C B 0067 HIS ND1 11.80 C B 0069 HIS ND1
C B 0067 HIS ND1 11.41 C B 0069 HIS NE2
C B 0067 HIS ND1 11.24 C B 0070 HIS ND1
C B 0068 HIS ND1 7.009 C B 0069 HIS ND1
C B 0068 HIS ND1 8.507 C B 0069 HIS NE2
C B 0068 HIS NE2 7.036 C B 0069 HIS ND1
C B 0068 HIS NE2 8.836 C B 0069 HIS NE2
C B 0068 HIS ND1 6.555 C B 0070 HIS ND1
C B 0068 HIS ND1 6.378 C B 0070 HIS NE2
C B 0068 HIS NE2 8.475 C B 0070 HIS ND1
C B 0068 HIS NE2 8.012 C B 0070 HIS NE2
C B 0069 HIS ND1 8.446 C B 0070 HIS ND1
C B 0069 HIS ND1 8.302 C B 0070 HIS NE2
C B 0069 HIS NE2 8.798 C B 0070 HIS ND1
C B 0069 HIS NE2 9.031 C B 0070 HIS NE2
C B 0069 HIS ND1 8.203 C B 0071 HIS ND1
C B 0069 HIS ND1 8.472 C B 0071 HIS NE2
C B 0069 HIS NE2 6.809 C B 0071 HIS ND1
C B 0069 HIS NE2 6.687 C B 0071 HIS NE2
C B 0070 HIS ND1 8.686 C B 0071 HIS ND1
C B 0070 HIS ND1 9.678 C B 0071 HIS NE2
C B 0070 HIS NE2 9.154 C B 0071 HIS ND1
C B 0070 HIS NE2 10.47 C B 0071 HIS NE2
C B 0070 HIS ND1 6.236 C B 0072 HIS ND1
C B 0070 HIS ND1 7.774 C B 0072 HIS NE2
C B 0070 HIS NE2 6.975 C B 0072 HIS ND1
C B 0070 HIS NE2 8.846 C B 0072 HIS NE2
C B 0071 HIS ND1 8.339 C B 0072 HIS ND1
C B 0071 HIS ND1 9.095 C B 0072 HIS NE2
C B 0071 HIS NE2 9.583 C B 0072 HIS ND1
C B 0071 HIS NE2 9.997 C B 0072 HIS NE2
HB_MM 2.00 3.20 98
C B 0002 VAL N 2.247 C B 0001 MET O
C B 0003 GLU N 2.269 C B 0002 VAL O
C B 0004 ASN N 2.765 C B 0002 VAL O
C B 0004 ASN N 2.240 C B 0003 GLU O
C B 0005 PRO N 2.256 C B 0004 ASN O
C B 0006 MET N 2.825 C B 0004 ASN O
C B 0006 MET N 2.246 C B 0005 PRO O
C B 0007 VAL N 2.244 C B 0006 MET O
C B 0008 ILE N 2.246 C B 0007 VAL O
C B 0009 ASN N 2.244 C B 0008 ILE O
C B 0010 ASN N 2.244 C B 0009 ASN O
C B 0011 TRP N 2.247 C B 0010 ASN O
C B 0012 HIS N 2.250 C B 0011 TRP O
C B 0013 ASP N 3.142 C B 0011 TRP O
C B 0013 ASP N 2.257 C B 0012 HIS O
C B 0014 LYS N 2.241 C B 0013 ASP O
C B 0015 LEU N 2.249 C B 0014 LYS O
C B 0016 THR N 2.249 C B 0015 LEU O
C B 0017 GLU N 2.255 C B 0016 THR O
C B 0018 THR N 2.247 C B 0017 GLU O
C B 0019 ASP N 2.245 C B 0018 THR O
C B 0020 VAL N 2.250 C B 0019 ASP O
C B 0021 GLN N 2.247 C B 0020 VAL O
C B 0022 ILE N 2.238 C B 0021 GLN O
C B 0023 ASP N 2.253 C B 0022 ILE O
C B 0024 PHE N 2.249 C B 0023 ASP O
C B 0024 PHE N 2.686 E B 0042 ILE O
C B 0025 TYR N 2.247 C B 0024 PHE O
C B 0026 GLY N 2.242 C B 0025 TYR O
C B 0027 ASP N 2.240 C B 0026 GLY O
C B 0028 GLU N 2.264 C B 0027 ASP O
C B 0029 VAL N 2.739 C B 0021 GLN O
C B 0029 VAL N 2.239 C B 0028 GLU O
C B 0030 THR N 2.239 C B 0029 VAL O
C B 0031 PRO N 2.244 C B 0030 THR O
C B 0032 VAL N 2.756 C B 0030 THR O
C B 0032 VAL N 2.245 C B 0031 PRO O
C B 0033 ASP N 3.098 C B 0030 THR O
C B 0033 ASP N 2.254 C B 0032 VAL O
C B 0034 ASP N 2.251 C B 0033 ASP O
E B 0035 TYR N 2.253 C B 0034 ASP O
E B 0036 VAL N 2.233 E B 0035 TYR O
E B 0036 VAL N 2.783 E B 0043 ILE O
E B 0037 ILE N 2.244 E B 0036 VAL O
E B 0038 ASP N 2.282 E B 0037 ILE O
E B 0038 ASP N 2.771 E B 0041 GLU O
C B 0039 GLY N 2.241 E B 0038 ASP O
C B 0039 GLY N 3.016 C B 0057 GLY O
C B 0040 GLY N 2.238 C B 0039 GLY O
E B 0041 GLU N 2.241 C B 0040 GLY O
E B 0042 ILE N 2.244 E B 0041 GLU O
E B 0043 ILE N 2.750 E B 0036 VAL O
E B 0043 ILE N 2.236 E B 0042 ILE O
E B 0044 LEU N 2.249 E B 0043 ILE O
C B 0045 ARG N 3.027 C B 0034 ASP O
C B 0045 ARG N 2.245 E B 0044 LEU O
C B 0046 GLU N 2.903 E B 0044 LEU O
C B 0046 GLU N 2.246 C B 0045 ARG O
H B 0047 ASN N 3.038 E B 0044 LEU O
H B 0047 ASN N 2.246 C B 0046 GLU O
H B 0048 LEU N 3.022 E B 0044 LEU O
H B 0048 LEU N 2.241 H B 0047 ASN O
H B 0049 GLU N 2.238 H B 0048 LEU O
H B 0050 ARG N 2.248 H B 0049 GLU O
H B 0051 TYR N 2.905 H B 0048 LEU O
H B 0051 TYR N 2.249 H B 0050 ARG O
H B 0052 LEU N 2.755 H B 0048 LEU O
H B 0052 LEU N 2.243 H B 0051 TYR O
H B 0053 ARG N 3.048 H B 0049 GLU O
H B 0053 ARG N 3.159 H B 0050 ARG O
H B 0053 ARG N 2.235 H B 0052 LEU O
H B 0054 GLU N 3.175 H B 0050 ARG O
H B 0054 GLU N 2.239 H B 0053 ARG O
H B 0055 GLN N 2.622 H B 0051 TYR O
H B 0055 GLN N 2.244 H B 0054 GLU O
C B 0056 LEU N 3.199 H B 0051 TYR O
C B 0056 LEU N 2.263 H B 0055 GLN O
C B 0057 GLY N 2.241 C B 0056 LEU O
E B 0058 PHE N 2.944 C B 0056 LEU O
E B 0058 PHE N 2.240 C B 0057 GLY O
E B 0059 GLU N 2.241 E B 0058 PHE O
E B 0060 PHE N 2.253 E B 0059 GLU O
E B 0061 LYS N 3.200 E B 0059 GLU O
E B 0061 LYS N 2.239 E B 0060 PHE O
C B 0062 ASN N 2.242 E B 0061 LYS O
C B 0063 ALA N 2.253 C B 0062 ASN O
C B 0064 GLN N 2.267 C B 0063 ALA O
C B 0065 LEU N 3.043 C B 0063 ALA O
C B 0065 LEU N 2.244 C B 0064 GLN O
C B 0066 GLU N 2.253 C B 0065 LEU O
C B 0067 HIS N 2.668 C B 0065 LEU O
C B 0067 HIS N 2.246 C B 0066 GLU O
C B 0068 HIS N 2.248 C B 0067 HIS O
C B 0069 HIS N 2.255 C B 0068 HIS O
C B 0070 HIS N 2.967 C B 0068 HIS O
C B 0070 HIS N 2.247 C B 0069 HIS O
C B 0071 HIS N 2.244 C B 0070 HIS O
C B 0072 HIS N 2.247 C B 0071 HIS O
HB_MS 2.00 3.20 12
C B 0011 TRP O 2.894 C B 0010 ASN ND2
C B 0019 ASP N 2.797 C B 0018 THR OG1
C B 0024 PHE N 3.069 C B 0023 ASP OD2
C B 0025 TYR N 2.745 C B 0023 ASP OD2
C B 0026 GLY N 3.009 C B 0023 ASP OD1
C B 0027 ASP N 2.765 C B 0023 ASP OD1
C B 0028 GLU N 2.986 C B 0027 ASP OD1
C B 0030 THR N 2.704 C B 0033 ASP OD1
C B 0057 GLY N 2.683 E B 0038 ASP OD2
C B 0064 GLN N 2.984 C B 0066 GLU OE2
C B 0065 LEU N 2.923 C B 0066 GLU OE2
C B 0072 HIS O 2.749 C B 0070 HIS ND1
HB_SS 2.00 3.20 2
C B 0021 GLN NE2 3.027 E B 0035 TYR OH
C B 0033 ASP OD1 2.609 C B 0030 THR OG1