Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3hky_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG ASP 56.A OD2 no hydrogen 3.403 N/A SER 4.A N PHE 55.A O no hydrogen 2.956 N/A SER 4.A OG VAL 53.A O no hydrogen 2.672 N/A THR 6.A N TYR 277.A O no hydrogen 2.908 N/A TRP 7.A NE1 THR 54.A OG1 no hydrogen 2.935 N/A THR 8.A N CYS 275.A O no hydrogen 3.044 N/A THR 8.A OG1 ASN 274.A O no hydrogen 2.916 N/A THR 8.A OG1 CYS 275.A O no hydrogen 3.292 N/A ALA 10.A N THR 8.A OG1 no hydrogen 3.122 N/A THR 13.A OG1 SER 270.A OG no hydrogen 2.637 N/A LEU 27.A N ASN 25.A OD1 no hydrogen 2.827 N/A SER 28.A OG ASN 25.A O no hydrogen 3.123 N/A ASN 29.A N ASN 25.A O no hydrogen 2.856 N/A SER 30.A N PRO 26.A O no hydrogen 3.220 N/A SER 30.A OG LEU 27.A O no hydrogen 3.214 N/A LEU 31.A N SER 28.A O no hydrogen 3.179 N/A LEU 32.A N SER 28.A O no hydrogen 2.999 N/A ARG 33.A N GLY 494.A O no hydrogen 2.852 N/A ARG 33.A NE GLY 494.A O no hydrogen 2.743 N/A HIS 34.A N LEU 493.A O no hydrogen 3.163 N/A HIS 34.A ND1 LYS 492.A O no hydrogen 3.053 N/A HIS 35.A N ARG 33.A O no hydrogen 2.972 N/A MET 37.A N HIS 34.A O no hydrogen 3.076 N/A VAL 38.A N HIS 35.A O no hydrogen 3.131 N/A TYR 39.A N PHE 146.A O no hydrogen 3.004 N/A ALA 40.A N SER 20.A O no hydrogen 2.958 N/A THR 41.A N GLU 144.A O no hydrogen 2.894 N/A THR 41.A OG1 LYS 142.A O no hydrogen 2.723 N/A THR 41.A OG1 GLU 144.A O no hydrogen 3.500 N/A SER 43.A N GLU 18.A OE2 no hydrogen 2.880 N/A SER 43.A OG GLU 18.A OE1 no hydrogen 2.672 N/A SER 43.A OG GLU 18.A OE2 no hydrogen 3.496 N/A ARG 44.A N THR 42.A OG1 no hydrogen 3.131 N/A SER 45.A N THR 42.A O no hydrogen 3.296 N/A SER 45.A OG THR 42.A O no hydrogen 3.112 N/A ALA 46.A N SER 43.A O no hydrogen 2.896 N/A LEU 48.A N SER 45.A O no hydrogen 3.119 N/A ARG 49.A N SER 45.A O no hydrogen 3.469 N/A GLN 50.A N ALA 46.A O no hydrogen 2.847 N/A LYS 51.A N SER 47.A O no hydrogen 3.110 N/A LYS 52.A N LEU 48.A O no hydrogen 3.371 N/A VAL 53.A N ARG 49.A O no hydrogen 2.969 N/A THR 54.A OG1 GLN 50.A O no hydrogen 2.488 N/A PHE 55.A N SER 4.A OG no hydrogen 3.195 N/A ARG 57.A N SER 2.A O no hydrogen 3.283 N/A ARG 57.A NE SER 2.A O no hydrogen 3.004 N/A ARG 57.A NH1 SER 2.A OG no hydrogen 2.986 N/A ARG 57.A NH1 ARG 279.A O no hydrogen 2.750 N/A ARG 57.A NH2 SER 227.A O no hydrogen 2.749 N/A ARG 57.A NH2 VAL 229.A O no hydrogen 2.967 N/A GLN 59.A NE2 ASP 233.A OD1 no hydrogen 3.013 N/A GLN 59.A NE2 TYR 347.A O no hydrogen 2.901 N/A VAL 60.A N ARG 346.A O no hydrogen 2.868 N/A TYR 65.A N ASP 62.A OD1 no hydrogen 2.847 N/A ARG 66.A N ASP 62.A O no hydrogen 3.085 N/A ARG 66.A NH2 ASP 63.A OD1 no hydrogen 3.114 N/A ASP 67.A N ASP 63.A O no hydrogen 2.863 N/A VAL 68.A N HIS 64.A O no hydrogen 3.085 N/A LEU 69.A N TYR 65.A O no hydrogen 2.984 N/A LYS 70.A N ARG 66.A O no hydrogen 3.094 N/A GLU 71.A N ASP 67.A O no hydrogen 3.212 N/A MET 72.A N VAL 68.A O no hydrogen 2.921 N/A LYS 73.A N LEU 69.A O no hydrogen 2.802 N/A ALA 74.A N LYS 70.A O no hydrogen 2.982 N/A LYS 75.A N GLU 71.A O no hydrogen 3.355 N/A ALA 76.A N MET 72.A O no hydrogen 3.005 N/A SER 77.A N LYS 73.A O no hydrogen 2.969 N/A SER 77.A OG LYS 73.A O no hydrogen 2.805 N/A THR 78.A N LYS 75.A O no hydrogen 3.172 N/A THR 78.A OG1 LYS 75.A O no hydrogen 2.618 N/A VAL 79.A N ALA 76.A O no hydrogen 2.997 N/A ALA 81.A N ASP 245.A O no hydrogen 2.920 N/A LYS 82.A N ASP 178.A OD2 no hydrogen 2.763 N/A LEU 84.A N MET 174.A O no hydrogen 2.948 N/A SER 85.A N GLU 88.A OE1 no hydrogen 2.715 N/A SER 85.A OG GLU 88.A OE1 no hydrogen 2.721 N/A GLU 88.A N SER 85.A OG no hydrogen 3.120 N/A ALA 89.A N SER 85.A O no hydrogen 3.028 N/A CYS 90.A N ILE 86.A O no hydrogen 2.994 N/A CYS 90.A SG ILE 86.A O no hydrogen 3.009 N/A LYS 91.A N GLU 87.A O no hydrogen 3.078 N/A LEU 92.A N GLU 88.A O no hydrogen 3.202 N/A LEU 92.A N ALA 89.A O no hydrogen 3.207 N/A THR 93.A N CYS 90.A O no hydrogen 2.842 N/A SER 97.A N PRO 94.A O no hydrogen 3.084 N/A SER 97.A OG ASP 560.A OD1 no hydrogen 2.565 N/A SER 97.A OG ASP 560.A OD2 no hydrogen 3.129 N/A SER 100.A N TYR 104.A O no hydrogen 2.901 N/A SER 100.A OG ASP 165.A OD1 no hydrogen 3.462 N/A SER 100.A OG ASP 165.A OD2 no hydrogen 2.809 N/A LYS 101.A N ASP 165.A OD1 no hydrogen 3.066 N/A PHE 102.A N SER 100.A OG no hydrogen 2.909 N/A GLY 105.A N ASP 108.A OD2 no hydrogen 3.059 N/A VAL 109.A N GLY 105.A O no hydrogen 3.057 N/A ARG 110.A N ALA 106.A O no hydrogen 2.841 N/A ARG 110.A NH1 LYS 91.A O no hydrogen 3.042 N/A ARG 110.A NH1 THR 93.A O no hydrogen 2.672 N/A ASN 111.A N LYS 107.A O no hydrogen 2.880 N/A LEU 112.A N VAL 109.A O no hydrogen 3.080 N/A SER 113.A N ASP 108.A O no hydrogen 3.020 N/A ARG 115.A NE PHE 102.A O no hydrogen 3.308 N/A ARG 115.A NH2 PHE 102.A O no hydrogen 3.286 N/A VAL 117.A N SER 113.A O no hydrogen 2.893 N/A ASN 118.A N SER 114.A O no hydrogen 2.806 N/A HIS 119.A N ARG 115.A O no hydrogen 3.170 N/A HIS 119.A ND1 ARG 115.A O no hydrogen 2.809 N/A ILE 120.A N ALA 116.A O no hydrogen 2.909 N/A ARG 121.A N VAL 117.A O no hydrogen 2.814 N/A SER 122.A N ASN 118.A O no hydrogen 3.022 N/A SER 122.A OG ASN 118.A O no hydrogen 3.432 N/A SER 122.A OG HIS 119.A O no hydrogen 2.665 N/A VAL 123.A N HIS 119.A O no hydrogen 2.933 N/A TRP 124.A N ILE 120.A O no hydrogen 2.982 N/A TRP 124.A NE1 GLU 249.A OE1 no hydrogen 2.964 N/A GLU 125.A N.A ARG 121.A O no hydrogen 3.099 N/A GLU 125.A N.B ARG 121.A O no hydrogen 3.086 N/A ASP 126.A N SER 122.A O no hydrogen 2.966 N/A LEU 127.A N VAL 123.A O no hydrogen 3.090 N/A LEU 128.A N TRP 124.A O no hydrogen 3.155 N/A GLU 129.A N GLU 125.A O.A no hydrogen 2.963 N/A GLU 129.A N GLU 125.A O.B no hydrogen 3.104 N/A ASP 130.A N ASP 126.A O no hydrogen 2.898 N/A GLU 132.A N ASP 130.A OD1 no hydrogen 3.050 N/A THR 133.A N ASP 130.A OD1 no hydrogen 3.005 N/A THR 133.A OG1 ASP 130.A OD1 no hydrogen 3.039 N/A THR 133.A OG1 ASP 130.A OD2 no hydrogen 2.587 N/A ILE 135.A N ARG 260.A O no hydrogen 2.816 N/A THR 137.A N PRO 266.A O no hydrogen 3.242 N/A THR 137.A OG1 PRO 266.A O no hydrogen 2.739 N/A THR 138.A N PHE 163.A O no hydrogen 2.964 N/A ILE 139.A N THR 268.A O no hydrogen 2.911 N/A MET 140.A N ILE 161.A O no hydrogen 2.940 N/A LYS 142.A N ARG 159.A O no hydrogen 2.692 N/A SER 143.A OG THR 41.A O no hydrogen 3.412 N/A GLU 144.A N THR 41.A OG1 no hydrogen 2.917 N/A PHE 146.A N TYR 39.A O no hydrogen 2.938 N/A CYS 147.A SG MET 37.A O no hydrogen 3.991 N/A CYS 147.A SG VAL 148.A O no hydrogen 3.438 N/A VAL 148.A N MET 37.A O no hydrogen 2.766 N/A GLN 149.A N GLY 154.A O no hydrogen 3.270 N/A LYS 152.A NZ GLN 149.A OE1 no hydrogen 3.213 N/A GLY 153.A N GLN 149.A O no hydrogen 2.959 N/A LYS 156.A N TYR 39.A OH no hydrogen 2.995 N/A ALA 158.A N SER 45.A OG no hydrogen 2.928 N/A ILE 161.A N MET 140.A O no hydrogen 2.786 N/A VAL 162.A N SER 283.A OG no hydrogen 3.177 N/A PHE 163.A N THR 138.A O no hydrogen 3.165 N/A GLY 167.A N ASP 165.A OD2 no hydrogen 3.374 N/A ARG 169.A N ASP 165.A O no hydrogen 3.070 N/A ARG 169.A NE ASP 560.A OD2 no hydrogen 2.734 N/A ARG 169.A NH1 PRO 164.A O no hydrogen 2.905 N/A ARG 169.A NH2 SER 97.A OG no hydrogen 2.826 N/A ARG 169.A NH2 ALA 98.A O no hydrogen 2.874 N/A VAL 170.A N LEU 166.A O no hydrogen 3.077 N/A CYS 171.A N GLY 167.A O no hydrogen 3.255 N/A CYS 171.A SG ILE 120.A O no hydrogen 3.761 N/A CYS 171.A SG GLY 167.A O no hydrogen 3.520 N/A GLU 172.A N VAL 168.A O no hydrogen 2.861 N/A LYS 173.A N ARG 169.A O no hydrogen 3.223 N/A LYS 173.A NZ ASP 560.A O no hydrogen 2.953 N/A LYS 173.A NZ ASP 560.A OD2 no hydrogen 3.513 N/A MET 174.A N VAL 170.A O no hydrogen 3.118 N/A ALA 175.A N CYS 171.A O no hydrogen 3.146 N/A LEU 176.A N GLU 172.A O no hydrogen 2.822 N/A TYR 177.A N LYS 173.A O no hydrogen 2.923 N/A VAL 180.A N LEU 176.A O no hydrogen 2.939 N/A SER 181.A N TYR 177.A O no hydrogen 3.068 N/A SER 181.A OG TYR 177.A O no hydrogen 2.724 N/A SER 181.A OG TYR 556.A OH no hydrogen 2.648 N/A THR 182.A N VAL 179.A O no hydrogen 3.307 N/A THR 182.A OG1 ASP 178.A O no hydrogen 2.889 N/A THR 182.A OG1 ASP 178.A OD1 no hydrogen 3.264 N/A LEU 183.A N VAL 179.A O no hydrogen 2.746 N/A GLN 185.A NE2 GLN 195.A OE1 no hydrogen 2.600 N/A ALA 186.A N THR 182.A O no hydrogen 3.437 N/A VAL 187.A N LEU 183.A O no hydrogen 3.054 N/A MET 188.A N PRO 184.A O no hydrogen 2.818 N/A GLY 189.A N GLN 185.A O no hydrogen 2.878 N/A SER 191.A N MET 188.A O no hydrogen 3.175 N/A SER 191.A OG MET 314.A O no hydrogen 2.980 N/A TYR 192.A N GLY 189.A O no hydrogen 3.050 N/A GLY 193.A N VAL 316.A O no hydrogen 2.929 N/A GLN 195.A NE2 GLY 189.A O no hydrogen 2.878 N/A GLN 195.A NE2 TYR 192.A O no hydrogen 2.726 N/A TYR 196.A N GLY 193.A O no hydrogen 3.304 N/A TYR 196.A OH SER 190.A O no hydrogen 2.510 N/A SER 197.A N GLN 200.A OE1 no hydrogen 2.941 N/A LYS 199.A N LEU 467.A O no hydrogen 3.000 N/A GLN 200.A N SER 197.A OG no hydrogen 3.347 N/A ARG 201.A N SER 197.A O no hydrogen 2.894 N/A ARG 201.A NH2 SER 366.A OG no hydrogen 3.188 N/A VAL 202.A N PRO 198.A O no hydrogen 3.120 N/A GLU 203.A N LYS 199.A O no hydrogen 3.115 N/A PHE 204.A N GLN 200.A O no hydrogen 2.983 N/A LEU 205.A N ARG 201.A O no hydrogen 3.047 N/A VAL 206.A N VAL 202.A O no hydrogen 3.021 N/A ASN 207.A N GLU 203.A O no hydrogen 2.839 N/A THR 208.A N PHE 204.A O no hydrogen 2.850 N/A THR 208.A OG1 PHE 204.A O no hydrogen 2.660 N/A TRP 209.A N LEU 205.A O no hydrogen 2.854 N/A LYS 210.A N VAL 206.A O no hydrogen 2.814 N/A SER 211.A N ASN 207.A O no hydrogen 2.899 N/A SER 211.A N THR 208.A O no hydrogen 3.074 N/A SER 211.A OG THR 208.A O no hydrogen 2.610 N/A LYS 212.A N TRP 209.A O no hydrogen 3.379 N/A LYS 212.A NZ ASP 311.A O no hydrogen 2.747 N/A LYS 212.A NZ ASP 311.A OD1 no hydrogen 3.564 N/A LYS 212.A NZ THR 313.A OG1 no hydrogen 2.758 N/A LYS 213.A N GLU 326.A OE2 no hydrogen 2.626 N/A CYS 214.A N GLU 326.A OE1 no hydrogen 2.937 N/A MET 216.A N CYS 325.A O no hydrogen 2.880 N/A GLY 217.A N GLU 358.A O no hydrogen 2.891 N/A PHE 218.A N VAL 323.A O no hydrogen 2.934 N/A TYR 220.A N LEU 321.A O no hydrogen 3.025 N/A TYR 220.A OH ALA 349.A O no hydrogen 2.639 N/A ARG 223.A N PRO 350.A O no hydrogen 3.157 N/A CYS 224.A SG.A LYS 52.A O no hydrogen 3.800 N/A CYS 224.A SG.B SER 227.A OG no hydrogen 3.190 N/A SER 227.A N CYS 224.A O.A no hydrogen 2.926 N/A SER 227.A N CYS 224.A O.B no hydrogen 2.900 N/A SER 227.A OG VAL 53.A O no hydrogen 2.877 N/A THR 228.A N CYS 224.A O.A no hydrogen 3.306 N/A THR 228.A N PHE 225.A O no hydrogen 2.873 N/A THR 228.A OG1 PHE 225.A O no hydrogen 2.551 N/A THR 230.A N ASP 233.A OD2 no hydrogen 3.013 N/A THR 230.A OG1 GLN 59.A OE1 no hydrogen 2.843 N/A ASP 233.A N THR 230.A OG1 no hydrogen 3.088 N/A ILE 234.A N THR 230.A O no hydrogen 3.185 N/A ARG 235.A N GLU 231.A O no hydrogen 2.979 N/A ARG 235.A NE GLU 259.A OE2 no hydrogen 3.220 N/A ARG 235.A NH2 GLU 259.A OE1 no hydrogen 3.039 N/A ARG 235.A NH2 GLU 259.A OE2 no hydrogen 3.260 N/A VAL 236.A N SER 232.A O no hydrogen 2.937 N/A GLU 237.A N ASP 233.A O no hydrogen 3.054 N/A GLU 238.A N ILE 234.A O no hydrogen 3.144 N/A SER 239.A N ARG 235.A O no hydrogen 3.034 N/A SER 239.A OG VAL 236.A O no hydrogen 2.655 N/A ILE 240.A N VAL 236.A O no hydrogen 3.132 N/A ILE 240.A N GLU 237.A O no hydrogen 3.093 N/A TYR 241.A N GLU 237.A O no hydrogen 3.076 N/A TYR 241.A OH GLU 237.A OE2 no hydrogen 2.895 N/A GLN 242.A N GLU 238.A O no hydrogen 2.713 N/A GLN 242.A NE2 GLU 238.A OE2 no hydrogen 2.742 N/A GLN 242.A NE2 ARG 251.A O no hydrogen 3.568 N/A CYS 243.A N ILE 240.A O no hydrogen 3.082 N/A CYS 243.A SG LYS 73.A O no hydrogen 3.940 N/A CYS 243.A SG SER 239.A O no hydrogen 3.392 N/A CYS 244.A N TYR 241.A O no hydrogen 3.153 N/A CYS 244.A SG TYR 241.A O no hydrogen 3.466 N/A ASP 245.A N VAL 79.A O no hydrogen 2.819 N/A ARG 251.A N ALA 247.A O no hydrogen 2.816 N/A ARG 251.A NH1 GLN 242.A O no hydrogen 2.876 N/A ARG 251.A NH1 GLN 242.A OE1 no hydrogen 2.896 N/A ARG 251.A NH2 CYS 244.A O no hydrogen 3.250 N/A GLN 252.A N PRO 248.A O no hydrogen 2.922 N/A GLN 252.A NE2 GLN 252.A O no hydrogen 3.137 N/A GLN 252.A NE2 SER 256.A OG no hydrogen 3.148 N/A ALA 253.A N GLU 249.A O no hydrogen 2.841 N/A ILE 254.A N ALA 250.A O no hydrogen 2.936 N/A ARG 255.A N ARG 251.A O no hydrogen 3.097 N/A ARG 255.A NE GLU 238.A OE1 no hydrogen 3.345 N/A ARG 255.A NE GLU 238.A OE2 no hydrogen 2.891 N/A ARG 255.A NH1 GLU 238.A OE1 no hydrogen 2.804 N/A ARG 255.A NH1 GLU 259.A OE2 no hydrogen 2.835 N/A SER 256.A N GLN 252.A O no hydrogen 2.823 N/A SER 256.A OG LEU 127.A O no hydrogen 2.755 N/A SER 256.A OG ASP 130.A O no hydrogen 3.470 N/A SER 256.A OG GLN 252.A O no hydrogen 3.307 N/A LEU 257.A N ALA 253.A O no hydrogen 2.802 N/A THR 258.A N ILE 254.A O no hydrogen 2.933 N/A THR 258.A OG1 ILE 254.A O no hydrogen 2.768 N/A GLU 259.A N ARG 255.A O no hydrogen 3.194 N/A ARG 260.A N SER 256.A O no hydrogen 2.891 N/A ARG 260.A NE THR 133.A O no hydrogen 2.708 N/A ARG 260.A NH1 ASP 126.A O no hydrogen 3.175 N/A ARG 260.A NH1 ASP 126.A OD1 no hydrogen 3.023 N/A ARG 260.A NH1 ASP 130.A O no hydrogen 2.797 N/A ARG 260.A NH2 ASP 126.A OD1 no hydrogen 2.784 N/A LEU 261.A N LEU 257.A O no hydrogen 2.880 N/A TYR 262.A N LEU 257.A O no hydrogen 2.768 N/A TYR 262.A OH GLU 172.A OE1 no hydrogen 2.676 N/A ILE 263.A N THR 258.A O no hydrogen 2.977 N/A GLY 264.A N LEU 261.A O no hydrogen 3.298 N/A GLY 265.A N ARG 278.A O no hydrogen 2.928 N/A LEU 267.A N GLY 276.A O no hydrogen 2.919 N/A THR 268.A N THR 137.A O no hydrogen 2.878 N/A THR 268.A OG1 ASP 136.A OD1 no hydrogen 2.543 N/A THR 268.A OG1 ASP 136.A OD2 no hydrogen 3.201 N/A THR 268.A OG1 THR 137.A O no hydrogen 3.570 N/A ASN 269.A N GLN 273.A O no hydrogen 2.969 N/A ASN 269.A ND2 LEU 11.A O no hydrogen 2.781 N/A ASN 269.A ND2 GLN 273.A OE1 no hydrogen 2.698 N/A SER 270.A OG THR 13.A OG1 no hydrogen 2.637 N/A SER 270.A OG PRO 14.A O no hydrogen 3.163 N/A GLY 272.A N ASN 269.A O no hydrogen 2.947 N/A GLN 273.A N ASN 269.A OD1 no hydrogen 2.836 N/A ASN 274.A ND2 LEU 267.A O no hydrogen 3.355 N/A ASN 274.A ND2 GLY 276.A O no hydrogen 3.597 N/A CYS 275.A N LEU 267.A O no hydrogen 2.765 N/A CYS 275.A SG ALA 10.A O no hydrogen 3.661 N/A CYS 275.A SG LEU 11.A O no hydrogen 3.872 N/A TYR 277.A N THR 6.A O no hydrogen 2.833 N/A ARG 278.A N GLY 265.A O no hydrogen 2.942 N/A ARG 278.A NH1 LEU 261.A O no hydrogen 3.203 N/A ARG 278.A NH1 TYR 262.A O no hydrogen 3.256 N/A ARG 278.A NH1 CYS 280.A O no hydrogen 2.946 N/A ARG 278.A NH2 LEU 261.A O no hydrogen 2.712 N/A ARG 279.A N SER 4.A O no hydrogen 2.872 N/A CYS 280.A SG SER 4.A O no hydrogen 3.651 N/A CYS 280.A SG ARG 281.A O no hydrogen 3.868 N/A ARG 281.A N ASP 226.A O no hydrogen 3.239 N/A ARG 281.A NE ASN 292.A OD1 no hydrogen 2.818 N/A ARG 281.A NH1 GLU 237.A OE1 no hydrogen 3.067 N/A ARG 281.A NH1 ASN 292.A OD1 no hydrogen 3.244 N/A ARG 281.A NH2 GLU 237.A OE1 no hydrogen 2.634 N/A ARG 281.A NH2 GLU 237.A OE2 no hydrogen 3.279 N/A GLY 284.A N VAL 162.A O no hydrogen 2.941 N/A LEU 286.A N GLU 172.A OE1 no hydrogen 3.025 N/A THR 288.A N VAL 285.A O no hydrogen 3.335 N/A THR 288.A OG1 ALA 282.A O no hydrogen 2.571 N/A THR 288.A OG1 VAL 285.A O no hydrogen 3.312 N/A CYS 290.A SG TYR 241.A OH no hydrogen 3.396 N/A GLY 291.A N THR 287.A O no hydrogen 2.744 N/A ASN 292.A N THR 288.A O no hydrogen 2.932 N/A ASN 292.A ND2 ASP 226.A OD1 no hydrogen 2.896 N/A THR 293.A N SER 289.A O no hydrogen 2.953 N/A THR 293.A OG1 SER 289.A O no hydrogen 2.777 N/A LEU 294.A N CYS 290.A O no hydrogen 3.030 N/A THR 295.A N GLY 291.A O no hydrogen 2.875 N/A THR 295.A OG1 GLY 291.A O no hydrogen 2.667 N/A CYS 296.A N ASN 292.A O no hydrogen 2.880 N/A TYR 297.A N THR 293.A O no hydrogen 2.814 N/A LEU 298.A N LEU 294.A O no hydrogen 2.791 N/A LYS 299.A N THR 295.A O no hydrogen 3.037 N/A LYS 299.A NZ ASP 233.A OD2 no hydrogen 2.895 N/A LYS 299.A NZ TYR 347.A O no hydrogen 2.632 N/A ALA 300.A N CYS 296.A O no hydrogen 2.966 N/A THR 301.A N TYR 297.A O no hydrogen 2.980 N/A THR 301.A OG1 TYR 297.A O no hydrogen 2.694 N/A ALA 302.A N LEU 298.A O no hydrogen 3.088 N/A ALA 303.A N LYS 299.A O no hydrogen 2.839 N/A CYS 304.A N ALA 300.A O no hydrogen 2.760 N/A CYS 304.A SG ALA 300.A O no hydrogen 3.195 N/A ARG 305.A N THR 301.A O no hydrogen 3.340 N/A ARG 305.A NH1 GLU 71.A OE2 no hydrogen 3.405 N/A ARG 305.A NH2 GLU 71.A OE1 no hydrogen 2.995 N/A ARG 305.A NH2 GLU 71.A OE2 no hydrogen 3.431 N/A ALA 306.A N ALA 302.A O no hydrogen 3.133 N/A ALA 307.A N ALA 303.A O no hydrogen 2.861 N/A LYS 308.A N ARG 305.A O no hydrogen 3.102 N/A LEU 309.A N CYS 304.A O no hydrogen 3.170 N/A GLN 310.A NE2 LYS 308.A O no hydrogen 3.477 N/A THR 313.A N ILE 324.A O no hydrogen 2.821 N/A LEU 315.A N VAL 322.A O no hydrogen 2.963 N/A VAL 316.A N SER 191.A O no hydrogen 2.929 N/A ASN 317.A N ASP 320.A O no hydrogen 2.834 N/A GLY 318.A N THR 293.A OG1 no hydrogen 2.872 N/A ASP 320.A N ASN 317.A O no hydrogen 3.124 N/A VAL 322.A N LEU 315.A O no hydrogen 3.055 N/A VAL 323.A N PHE 218.A O no hydrogen 2.950 N/A ILE 324.A N THR 313.A O no hydrogen 2.897 N/A CYS 325.A N MET 216.A O no hydrogen 2.713 N/A CYS 325.A SG MET 216.A O no hydrogen 3.771 N/A GLU 326.A N GLN 310.A O no hydrogen 2.978 N/A SER 327.A N CYS 214.A O no hydrogen 2.689 N/A SER 327.A OG ASP 333.A OD2 no hydrogen 2.638 N/A ALA 328.A N ASP 333.A OD1 no hydrogen 2.870 N/A GLY 329.A N SER 327.A OG no hydrogen 2.976 N/A ASP 333.A N GLY 329.A O no hydrogen 2.937 N/A ALA 334.A N THR 330.A O no hydrogen 3.102 N/A ALA 335.A N GLN 331.A O no hydrogen 2.958 N/A ALA 336.A N GLU 332.A O no hydrogen 2.830 N/A LEU 337.A N ASP 333.A O no hydrogen 2.934 N/A ARG 338.A N ALA 334.A O no hydrogen 3.070 N/A ALA 339.A N ALA 335.A O no hydrogen 2.999 N/A PHE 340.A N ALA 336.A O no hydrogen 2.920 N/A THR 341.A N LEU 337.A O no hydrogen 3.011 N/A THR 341.A OG1 LEU 337.A O no hydrogen 3.153 N/A GLU 342.A N ARG 338.A O no hydrogen 3.140 N/A ALA 343.A N ALA 339.A O no hydrogen 3.105 N/A MET 344.A N PHE 340.A O no hydrogen 2.986 N/A THR 345.A N THR 341.A O no hydrogen 2.887 N/A THR 345.A OG1 THR 341.A O no hydrogen 2.690 N/A ARG 346.A N GLU 342.A O no hydrogen 3.041 N/A TYR 347.A N ALA 343.A O no hydrogen 3.148 N/A TYR 347.A OH ASP 62.A OD1 no hydrogen 2.550 N/A TYR 347.A OH ASP 62.A OD2 no hydrogen 3.005 N/A SER 348.A N THR 345.A O no hydrogen 3.009 N/A SER 348.A OG THR 228.A O no hydrogen 2.838 N/A ALA 349.A N MET 344.A O no hydrogen 2.908 N/A GLY 352.A N ASP 221.A O no hydrogen 2.892 N/A GLN 356.A NE2 PRO 354.A O no hydrogen 2.815 N/A GLU 358.A N GLY 217.A O no hydrogen 2.720 N/A TYR 359.A OH ASP 333.A OD2 no hydrogen 2.760 N/A GLU 362.A N ASP 360.A OD1 no hydrogen 2.986 N/A LEU 363.A N ASP 360.A O no hydrogen 3.213 N/A ILE 364.A N LEU 361.A O no hydrogen 3.195 N/A SER 366.A N SER 369.A O no hydrogen 2.933 N/A CYS 367.A N ASP 320.A OD1 no hydrogen 2.955 N/A CYS 367.A N ASP 320.A OD2 no hydrogen 3.007 N/A SER 369.A N SER 366.A O no hydrogen 2.903 N/A SER 369.A OG CYS 367.A O no hydrogen 2.845 N/A SER 369.A OG TYR 416.A OH no hydrogen 2.590 N/A ASN 370.A N THR 386.A O no hydrogen 2.876 N/A ASN 370.A ND2 GLU 362.A O no hydrogen 3.536 N/A ASN 370.A ND2 VAL 371.A O no hydrogen 3.111 N/A SER 372.A N TYR 384.A O no hydrogen 2.848 N/A ALA 374.A N VAL 382.A O no hydrogen 3.033 N/A HIS 375.A N HIS 476.A O no hydrogen 2.943 N/A ASP 376.A N LYS 380.A O no hydrogen 2.990 N/A SER 378.A OG ASP 376.A OD1 no hydrogen 2.737 N/A SER 378.A OG ASP 376.A OD2 no hydrogen 3.449 N/A GLY 379.A N ASP 376.A O no hydrogen 2.911 N/A LYS 380.A N ASP 376.A OD1 no hydrogen 2.813 N/A ARG 381.A NH2 TYR 383.A OH no hydrogen 3.332 N/A VAL 382.A N ALA 374.A O no hydrogen 2.817 N/A TYR 384.A N SER 372.A O no hydrogen 3.001 N/A THR 386.A N ASN 370.A O no hydrogen 2.895 N/A THR 386.A OG1 ARG 387.A O no hydrogen 3.487 N/A THR 386.A OG1 GLU 482.A OE2 no hydrogen 2.790 N/A ARG 387.A N THR 386.A OG1 no hydrogen 2.775 N/A ARG 387.A NE ASP 388.A O no hydrogen 3.072 N/A THR 390.A N ASP 388.A OD1 no hydrogen 2.764 N/A THR 390.A OG1 ASP 388.A OD1 no hydrogen 2.711 N/A LEU 393.A N PRO 389.A O no hydrogen 2.910 N/A ALA 394.A N THR 390.A O no hydrogen 3.000 N/A ARG 395.A N THR 391.A O no hydrogen 2.939 N/A ARG 395.A NE VAL 145.A O no hydrogen 2.768 N/A ARG 395.A NH2 VAL 145.A O no hydrogen 3.085 N/A ALA 396.A N PRO 392.A O no hydrogen 2.938 N/A ALA 397.A N LEU 393.A O no hydrogen 3.040 N/A TRP 398.A N ALA 394.A O no hydrogen 3.062 N/A GLU 399.A N ARG 395.A O no hydrogen 2.867 N/A THR 400.A N ALA 396.A O no hydrogen 2.924 N/A THR 400.A OG1 ALA 396.A O no hydrogen 2.685 N/A THR 400.A OG1 HIS 429.A NE2 no hydrogen 2.950 N/A ALA 401.A N ALA 397.A O no hydrogen 3.257 N/A ARG 402.A N TRP 398.A O no hydrogen 2.806 N/A ARG 402.A NE GLU 19.A OE1 no hydrogen 2.709 N/A ARG 402.A NE GLU 19.A OE2 no hydrogen 3.089 N/A ARG 402.A NH1 ALA 401.A O no hydrogen 2.866 N/A ARG 402.A NH2 GLU 19.A OE2 no hydrogen 3.036 N/A THR 404.A OG1 ILE 406.A O no hydrogen 2.591 N/A ASN 407.A N ASP 445.A O no hydrogen 2.916 N/A ASN 407.A ND2 ASP 445.A O no hydrogen 3.088 N/A SER 408.A N GLU 399.A OE2 no hydrogen 3.094 N/A SER 408.A OG GLU 399.A OE1 no hydrogen 3.084 N/A SER 408.A OG GLU 399.A OE2 no hydrogen 2.699 N/A TRP 409.A N GLU 399.A OE1 no hydrogen 2.985 N/A TRP 409.A NE1 ASN 407.A OD1 no hydrogen 3.117 N/A LEU 410.A N ASN 407.A O no hydrogen 3.223 N/A GLY 411.A N ASN 407.A O no hydrogen 3.452 N/A ASN 412.A N SER 408.A O no hydrogen 2.765 N/A ILE 413.A N TRP 409.A O no hydrogen 2.901 N/A ILE 414.A N LEU 410.A O no hydrogen 3.044 N/A MET 415.A N GLY 411.A O no hydrogen 2.886 N/A TYR 416.A N ASN 412.A O no hydrogen 2.778 N/A TYR 416.A OH SER 369.A OG no hydrogen 2.590 N/A THR 419.A N TYR 416.A O no hydrogen 2.964 N/A THR 419.A OG1 TYR 416.A O no hydrogen 2.828 N/A TRP 421.A NE1 THR 386.A OG1 no hydrogen 3.117 N/A ALA 422.A N THR 419.A OG1 no hydrogen 3.039 N/A ARG 423.A N THR 419.A O no hydrogen 3.268 N/A ARG 423.A NH1 LEU 475.A O no hydrogen 2.939 N/A ARG 423.A NH1 TYR 478.A OH no hydrogen 2.763 N/A MET 424.A N LEU 420.A O no hydrogen 3.186 N/A ILE 425.A N TRP 421.A O no hydrogen 3.174 N/A LEU 426.A N TRP 421.A O no hydrogen 3.335 N/A MET 427.A N ALA 422.A O no hydrogen 2.958 N/A THR 428.A OG1 MET 424.A O no hydrogen 2.530 N/A HIS 429.A N ILE 425.A O no hydrogen 2.942 N/A HIS 429.A NE2 THR 400.A OG1 no hydrogen 2.950 N/A PHE 430.A N LEU 426.A O no hydrogen 2.966 N/A PHE 431.A N MET 427.A O no hydrogen 2.888 N/A SER 432.A N THR 428.A O no hydrogen 2.855 N/A ILE 433.A N HIS 429.A O no hydrogen 3.230 N/A LEU 434.A N PHE 430.A O no hydrogen 3.086 N/A LEU 435.A N PHE 431.A O no hydrogen 3.127 N/A ALA 436.A N SER 432.A O no hydrogen 3.002 N/A GLN 437.A N ILE 433.A O no hydrogen 2.877 N/A GLU 438.A N LEU 435.A O no hydrogen 3.052 N/A GLN 439.A N LEU 434.A O no hydrogen 2.722 N/A LYS 442.A N GLN 439.A O no hydrogen 3.175 N/A LEU 444.A N ILE 455.A O no hydrogen 2.779 N/A CYS 446.A N TYR 453.A O no hydrogen 2.892 N/A CYS 446.A SG TYR 453.A O no hydrogen 4.044 N/A ILE 448.A N ALA 451.A O no hydrogen 2.945 N/A TYR 449.A OH TYR 196.A O no hydrogen 2.631 N/A ALA 451.A N ILE 448.A O no hydrogen 3.172 N/A CYS 452.A N.A ILE 561.A O no hydrogen 2.892 N/A CYS 452.A SG.A CYS 446.A O no hydrogen 3.896 N/A TYR 453.A N CYS 446.A O no hydrogen 2.716 N/A TYR 453.A OH GLY 550.A O no hydrogen 3.307 N/A ILE 455.A N LEU 444.A O no hydrogen 2.862 N/A ASP 459.A N GLU 456.A O no hydrogen 2.932 N/A LEU 460.A N PRO 457.A O no hydrogen 3.025 N/A GLN 462.A NE2 LEU 458.A O no hydrogen 3.570 N/A ILE 463.A N ASP 459.A O no hydrogen 3.287 N/A ILE 464.A N LEU 460.A O no hydrogen 2.869 N/A GLU 465.A N PRO 461.A O no hydrogen 2.958 N/A ARG 466.A N GLN 462.A O no hydrogen 3.157 N/A ARG 466.A NH2 ALA 543.A O no hydrogen 3.075 N/A ARG 466.A NH2 LEU 546.A O no hydrogen 2.963 N/A LEU 467.A N ILE 463.A O no hydrogen 3.133 N/A HIS 468.A N ILE 464.A O no hydrogen 2.937 N/A HIS 468.A NE2 ILE 414.A O no hydrogen 2.757 N/A GLY 469.A N GLU 465.A O no hydrogen 2.778 N/A ALA 472.A N GLY 469.A O no hydrogen 3.156 N/A PHE 473.A N LEU 470.A O no hydrogen 3.215 N/A THR 474.A N SER 471.A O no hydrogen 3.079 N/A THR 474.A OG1 SER 471.A O no hydrogen 3.392 N/A HIS 476.A N HIS 375.A O no hydrogen 2.882 N/A HIS 476.A NE2 ASP 376.A O no hydrogen 2.955 N/A SER 477.A OG HIS 476.A ND1 no hydrogen 3.106 N/A TYR 478.A OH PRO 418.A O no hydrogen 2.565 N/A GLU 482.A N SER 479.A OG no hydrogen 3.262 N/A ILE 483.A N SER 479.A O no hydrogen 3.010 N/A ASN 484.A N PRO 480.A O no hydrogen 2.862 N/A ARG 485.A N GLY 481.A O no hydrogen 2.971 N/A ARG 485.A NH1 ASN 370.A OD1 no hydrogen 3.384 N/A ARG 485.A NH2 ASN 370.A OD1 no hydrogen 2.864 N/A ARG 485.A NH2 GLU 482.A OE1 no hydrogen 3.175 N/A VAL 486.A N GLU 482.A O no hydrogen 3.007 N/A ALA 487.A N ILE 483.A O no hydrogen 2.963 N/A SER 488.A N ASN 484.A O no hydrogen 3.031 N/A CYS 489.A N ARG 485.A O no hydrogen 3.176 N/A CYS 489.A SG THR 390.A OG1 no hydrogen 3.244 N/A LEU 490.A N VAL 486.A O no hydrogen 3.024 N/A ARG 491.A N.A ALA 487.A O no hydrogen 3.133 N/A ARG 491.A N.B ALA 487.A O no hydrogen 3.119 N/A LYS 492.A N SER 488.A O no hydrogen 3.020 N/A LYS 492.A NZ THR 390.A OG1 no hydrogen 2.821 N/A LEU 493.A N CYS 489.A O no hydrogen 3.045 N/A GLY 494.A N ARG 491.A O.B no hydrogen 3.362 N/A VAL 495.A N LEU 490.A O no hydrogen 2.938 N/A THR 500.A N PRO 497.A O no hydrogen 2.846 N/A TRP 501.A N PRO 497.A O no hydrogen 3.358 N/A TRP 501.A NE1 PRO 496.A O no hydrogen 2.767 N/A ARG 502.A N LEU 498.A O no hydrogen 2.980 N/A HIS 503.A N.A ARG 499.A O no hydrogen 3.318 N/A HIS 503.A N.B ARG 499.A O no hydrogen 3.335 N/A ARG 504.A N THR 500.A O no hydrogen 2.950 N/A ARG 504.A NH1 SER 30.A O no hydrogen 2.906 N/A ARG 504.A NH2 SER 30.A O no hydrogen 3.336 N/A ALA 505.A N TRP 501.A O no hydrogen 2.797 N/A ARG 506.A N ARG 502.A O no hydrogen 3.174 N/A VAL 508.A N ARG 504.A O no hydrogen 3.160 N/A ARG 509.A N ALA 505.A O no hydrogen 2.711 N/A ALA 510.A N ARG 506.A O no hydrogen 3.110 N/A LYS 511.A N SER 507.A O no hydrogen 3.343 N/A LEU 512.A N VAL 508.A O no hydrogen 2.968 N/A LEU 513.A N ARG 509.A O no hydrogen 2.974 N/A SER 514.A N ALA 510.A O no hydrogen 2.989 N/A SER 514.A OG LYS 511.A O no hydrogen 2.527 N/A GLN 515.A N LEU 512.A O no hydrogen 3.025 N/A GLY 516.A N LEU 513.A O no hydrogen 3.345 N/A ALA 520.A N GLY 516.A O no hydrogen 3.131 N/A THR 521.A N GLY 517.A O no hydrogen 3.348 N/A THR 521.A OG1 GLY 517.A O no hydrogen 3.359 N/A CYS 522.A N ARG 518.A O no hydrogen 3.044 N/A CYS 522.A SG PRO 457.A O no hydrogen 3.995 N/A CYS 522.A SG LEU 458.A O no hydrogen 3.809 N/A CYS 522.A SG ARG 518.A O no hydrogen 3.622 N/A GLY 523.A N ALA 519.A O no hydrogen 2.913 N/A ARG 524.A N ALA 520.A O no hydrogen 2.741 N/A ARG 524.A NH2 LYS 536.A O no hydrogen 3.114 N/A TYR 525.A N THR 521.A O no hydrogen 2.858 N/A TYR 525.A OH THR 538.A O no hydrogen 2.567 N/A LEU 526.A N CYS 522.A O no hydrogen 2.838 N/A ASN 528.A ND2 LEU 535.A O no hydrogen 3.014 N/A ALA 530.A N PHE 527.A O no hydrogen 2.944 N/A VAL 531.A N ASN 528.A O no hydrogen 3.509 N/A LYS 534.A NZ ASN 528.A O no hydrogen 2.948 N/A LYS 534.A NZ VAL 531.A O no hydrogen 2.880 N/A LEU 535.A N ASN 528.A OD1 no hydrogen 3.014 N/A ILE 540.A N GLU 465.A OE1 no hydrogen 2.907 N/A ALA 543.A N ILE 540.A O no hydrogen 2.896 N/A SER 544.A OG PRO 541.A O no hydrogen 3.211 N/A GLN 545.A N ALA 542.A O no hydrogen 3.211 N/A LEU 546.A N ALA 543.A O no hydrogen 3.260 N/A SER 549.A N ASP 547.A OD1 no hydrogen 3.093 N/A SER 549.A OG ASP 547.A OD1 no hydrogen 2.738 N/A TRP 551.A N LEU 548.A O no hydrogen 3.006 N/A GLY 555.A N TYR 192.A OH no hydrogen 3.125 N/A TYR 556.A N TYR 449.A O no hydrogen 2.962 N/A TYR 556.A OH SER 181.A OG no hydrogen 2.648 N/A GLY 559.A N TYR 556.A O no hydrogen 2.911 N/A TYR 562.A N LEU 92.A O no hydrogen 2.932 N/A HIS 563.A N CYS 452.A O.A no hydrogen 2.989 N/A