Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1kdg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A N PRO 241.A O no hydrogen 3.111 N/A TYR 5.A N LYS 27.A O no hydrogen 3.115 N/A ILE 6.A N ARG 247.A O no hydrogen 3.063 N/A ILE 7.A N LEU 29.A O no hydrogen 2.786 N/A VAL 8.A N ILE 249.A O no hydrogen 2.855 N/A GLY 9.A N LEU 31.A O no hydrogen 2.766 N/A ALA 10.A N GLU 32.A OE1 no hydrogen 2.867 N/A ILE 15.A N GLY 11.A O no hydrogen 2.879 N/A ILE 16.A N PRO 12.A O no hydrogen 3.059 N/A ALA 17.A N GLY 13.A O no hydrogen 2.949 N/A ALA 18.A N GLY 14.A O no hydrogen 2.798 N/A ASP 19.A N ILE 15.A O no hydrogen 2.923 N/A ARG 20.A N ILE 16.A O no hydrogen 2.969 N/A ARG 20.A NE GLU 528.A OE1 no hydrogen 2.739 N/A ARG 20.A NE GLU 528.A OE2 no hydrogen 3.291 N/A ARG 20.A NH1 GLU 23.A OE1 no hydrogen 2.830 N/A ARG 20.A NH2 GLU 528.A OE2 no hydrogen 2.804 N/A LEU 21.A N ALA 17.A O no hydrogen 2.890 N/A SER 22.A N ALA 18.A O no hydrogen 2.951 N/A SER 22.A OG ALA 18.A O no hydrogen 2.721 N/A SER 22.A OG ASP 19.A O no hydrogen 3.052 N/A GLU 23.A N ASP 19.A O no hydrogen 2.897 N/A ALA 24.A N ARG 20.A O no hydrogen 3.249 N/A GLY 25.A N SER 22.A O no hydrogen 2.908 N/A LYS 26.A N LEU 21.A O no hydrogen 3.312 N/A LYS 26.A NZ PRO 541.A O no hydrogen 2.782 N/A LYS 27.A N ASP 4.A OD2 no hydrogen 2.857 N/A VAL 28.A N ASN 205.A O no hydrogen 2.892 N/A LEU 29.A N TYR 5.A O no hydrogen 2.881 N/A LEU 30.A N THR 207.A O no hydrogen 2.833 N/A LEU 31.A N ILE 7.A O no hydrogen 2.886 N/A GLU 32.A N LYS 209.A O no hydrogen 2.933 N/A ARG 33.A NH1 ASP 79.A OD1 no hydrogen 2.914 N/A ARG 33.A NH1 ASP 79.A OD2 no hydrogen 3.350 N/A ARG 33.A NH2 ASP 79.A OD1 no hydrogen 3.538 N/A ARG 33.A NH2 ASP 79.A OD2 no hydrogen 2.976 N/A GLY 34.A N GLU 32.A OE2 no hydrogen 2.846 N/A SER 37.A N THR 41.A OG1 no hydrogen 2.786 N/A SER 37.A OG VAL 88.A O no hydrogen 2.767 N/A LYS 39.A N ASP 59.A OD2 no hydrogen 2.815 N/A LYS 39.A NZ SER 53.A O no hydrogen 2.771 N/A THR 41.A N THR 38.A O no hydrogen 2.905 N/A THR 41.A OG1 THR 38.A O no hydrogen 2.680 N/A GLY 42.A N LYS 39.A O no hydrogen 2.921 N/A GLY 43.A N THR 38.A O no hydrogen 3.025 N/A TYR 45.A OH ASP 70.A OD1 no hydrogen 3.319 N/A TYR 45.A OH ASP 70.A OD2 no hydrogen 2.540 N/A TRP 49.A NE1 VAL 324.A O no hydrogen 2.870 N/A ALA 50.A N ALA 47.A O no hydrogen 2.848 N/A THR 51.A N PRO 48.A O no hydrogen 3.180 N/A THR 51.A OG1 PRO 48.A O no hydrogen 2.660 N/A SER 53.A N ALA 50.A O no hydrogen 2.928 N/A SER 53.A OG ALA 50.A O no hydrogen 2.670 N/A GLY 54.A N THR 51.A O no hydrogen 3.007 N/A LEU 55.A N SER 53.A OG no hydrogen 2.956 N/A THR 56.A N ASP 59.A OD2 no hydrogen 2.928 N/A THR 56.A OG1 SER 37.A O no hydrogen 3.563 N/A THR 56.A OG1 ASP 59.A OD2 no hydrogen 2.816 N/A LYS 57.A N TYR 45.A O no hydrogen 2.930 N/A LYS 57.A NZ SER 66.A OG no hydrogen 3.213 N/A LYS 57.A NZ ASP 70.A OD2 no hydrogen 3.019 N/A PHE 58.A N THR 56.A OG1 no hydrogen 3.114 N/A ASP 59.A N THR 56.A O no hydrogen 3.018 N/A ASP 59.A N THR 56.A OG1 no hydrogen 3.176 N/A ILE 60.A N THR 56.A O no hydrogen 3.308 N/A GLY 62.A N PHE 344.A O no hydrogen 2.843 N/A LEU 63.A N ILE 60.A O no hydrogen 2.915 N/A PHE 64.A N PRO 61.A O no hydrogen 3.001 N/A SER 66.A N LEU 63.A O no hydrogen 2.904 N/A SER 66.A OG LEU 63.A O no hydrogen 2.700 N/A LEU 67.A N PHE 64.A O no hydrogen 2.950 N/A PHE 68.A N GLU 65.A O no hydrogen 3.129 N/A THR 69.A N SER 66.A O no hydrogen 3.279 N/A THR 69.A OG1 SER 66.A O no hydrogen 3.416 N/A ASN 72.A N ASP 70.A OD1 no hydrogen 2.781 N/A TRP 75.A NE1 LEU 67.A O no hydrogen 3.128 N/A TRP 76.A N PRO 73.A O no hydrogen 3.520 N/A CYS 77.A N ALA 84.A O no hydrogen 2.939 N/A CYS 77.A SG ALA 84.A O no hydrogen 3.364 N/A THR 81.A N GLY 414.A O no hydrogen 2.953 N/A THR 81.A OG1 GLY 414.A O no hydrogen 3.288 N/A THR 81.A OG1 THR 415.A OG1 no hydrogen 3.126 N/A CYS 86.A N TRP 75.A O no hydrogen 2.857 N/A VAL 88.A N GLY 35.A O no hydrogen 2.921 N/A GLY 89.A N ALA 10.A O no hydrogen 2.738 N/A GLY 90.A N LEU 87.A O no hydrogen 2.813 N/A THR 92.A N GLY 89.A O no hydrogen 3.042 N/A THR 92.A OG1 GLY 89.A O no hydrogen 2.663 N/A SER 93.A N GLY 90.A O no hydrogen 3.022 N/A SER 93.A OG VAL 88.A O no hydrogen 2.727 N/A VAL 94.A N GLY 91.A O no hydrogen 3.129 N/A ASN 95.A ND2 GLN 520.A OE1 no hydrogen 3.089 N/A TYR 99.A N ALA 181.A O no hydrogen 2.888 N/A TYR 99.A OH LEU 131.A O no hydrogen 2.621 N/A TRP 100.A NE1 ASN 518.A OD1 no hydrogen 2.888 N/A TYR 101.A N ASN 167.A OD1 no hydrogen 2.935 N/A ASN 103.A N ASP 106.A OD2 no hydrogen 2.892 N/A ASN 103.A ND2 THR 516.A OG1 no hydrogen 2.897 N/A ASP 104.A N ASN 171.A OD1 no hydrogen 2.969 N/A ASP 106.A N ASN 103.A O no hydrogen 2.977 N/A ASP 106.A N ASN 103.A OD1 no hydrogen 3.229 N/A PHE 107.A N ASP 104.A O no hydrogen 3.080 N/A SER 108.A N GLY 105.A O no hydrogen 3.265 N/A SER 108.A OG SER 110.A OG no hydrogen 2.817 N/A SER 110.A N SER 108.A OG no hydrogen 3.083 N/A SER 110.A OG SER 108.A OG no hydrogen 2.817 N/A VAL 111.A N SER 108.A O no hydrogen 3.177 N/A GLY 112.A N SER 109.A O no hydrogen 3.065 N/A TRP 113.A NE1 ASP 106.A O no hydrogen 2.817 N/A TRP 117.A N PRO 114.A O no hydrogen 2.878 N/A TRP 117.A NE1 SER 493.A O no hydrogen 2.753 N/A THR 118.A N SER 115.A O no hydrogen 3.327 N/A THR 118.A OG1 SER 115.A O no hydrogen 3.184 N/A HIS 120.A N THR 118.A O no hydrogen 2.937 N/A HIS 120.A ND1 THR 124.A OG1 no hydrogen 2.785 N/A HIS 120.A NE2 ASP 104.A OD1 no hydrogen 2.786 N/A TYR 123.A N HIS 120.A O no hydrogen 2.898 N/A THR 124.A N HIS 120.A O no hydrogen 2.865 N/A THR 124.A OG1 HIS 120.A ND1 no hydrogen 2.785 N/A THR 124.A OG1 HIS 120.A O no hydrogen 3.378 N/A THR 124.A OG1 SER 525.A OG no hydrogen 2.727 N/A SER 125.A N ALA 121.A O no hydrogen 2.810 N/A LYS 126.A N PRO 122.A O no hydrogen 3.301 N/A LEU 127.A N TYR 123.A O no hydrogen 3.062 N/A SER 128.A N THR 124.A O no hydrogen 2.900 N/A SER 128.A OG THR 124.A O no hydrogen 3.446 N/A SER 128.A OG SER 125.A O no hydrogen 3.085 N/A SER 129.A N SER 125.A O no hydrogen 3.300 N/A SER 129.A OG LYS 126.A O no hydrogen 3.282 N/A ARG 130.A N LYS 126.A O no hydrogen 3.332 N/A ARG 130.A NH1 ASP 19.A OD2 no hydrogen 2.825 N/A ARG 130.A NH2 THR 199.A OG1 no hydrogen 2.899 N/A LEU 131.A N LEU 127.A O no hydrogen 2.785 N/A SER 133.A N TYR 101.A OH no hydrogen 2.950 N/A THR 134.A N PHE 182.A O no hydrogen 3.116 N/A HIS 136.A N THR 134.A OG1 no hydrogen 3.040 N/A SER 138.A OG ASP 140.A OD1 no hydrogen 2.684 N/A THR 139.A N GLN 340.A O no hydrogen 3.503 N/A THR 139.A OG1 ASN 339.A O no hydrogen 2.653 N/A GLY 141.A N SER 138.A O no hydrogen 2.993 N/A GLN 142.A N ASP 140.A OD1 no hydrogen 2.964 N/A ARG 143.A NE ASP 135.A O no hydrogen 2.870 N/A ARG 143.A NH2 ASP 135.A OD1 no hydrogen 2.859 N/A TYR 144.A OH ASP 140.A OD2 no hydrogen 2.536 N/A GLN 147.A N GLN 147.A OE1 no hydrogen 2.774 N/A ASN 150.A N GLU 146.A O no hydrogen 2.990 N/A VAL 151.A N GLN 147.A O no hydrogen 3.021 N/A VAL 152.A N SER 148.A O no hydrogen 2.979 N/A SER 153.A N PHE 149.A O no hydrogen 2.761 N/A SER 153.A OG PHE 149.A O no hydrogen 3.040 N/A SER 153.A OG ASN 150.A O no hydrogen 2.771 N/A GLN 154.A N ASN 150.A O no hydrogen 3.380 N/A GLN 154.A N VAL 151.A O no hydrogen 3.205 N/A GLN 154.A NE2 ASN 150.A O no hydrogen 3.620 N/A LEU 155.A N VAL 151.A O no hydrogen 3.262 N/A LEU 156.A N VAL 152.A O no hydrogen 2.887 N/A LYS 157.A N SER 153.A O no hydrogen 2.844 N/A GLY 158.A N GLN 154.A O no hydrogen 3.235 N/A GLN 159.A N LEU 156.A O no hydrogen 2.878 N/A GLY 160.A N LYS 157.A O no hydrogen 3.078 N/A TYR 161.A N LEU 156.A O no hydrogen 3.051 N/A ASN 162.A N HIS 175.A O no hydrogen 2.972 N/A ALA 164.A N PHE 177.A O no hydrogen 2.885 N/A ASN 167.A ND2 TYR 99.A O no hydrogen 2.797 N/A ASN 167.A ND2 SER 133.A OG no hydrogen 2.804 N/A ASP 168.A N THR 165.A O no hydrogen 3.024 N/A ASN 169.A N ILE 166.A O no hydrogen 3.463 N/A ASN 171.A ND2 ASP 104.A OD2 no hydrogen 3.022 N/A TYR 172.A N ASN 169.A O no hydrogen 3.051 N/A LYS 173.A NZ PRO 170.A O no hydrogen 2.911 N/A HIS 175.A N TRP 354.A O no hydrogen 2.933 N/A HIS 175.A ND1 ASP 174.A OD1 no hydrogen 3.193 N/A HIS 175.A ND1 ASP 174.A OD2 no hydrogen 2.952 N/A VAL 176.A N LYS 173.A O no hydrogen 3.119 N/A PHE 177.A N ASN 162.A O no hydrogen 3.104 N/A GLY 178.A N ASN 352.A O no hydrogen 2.974 N/A SER 180.A N LYS 350.A O no hydrogen 3.075 N/A PHE 182.A N THR 134.A O no hydrogen 2.890 N/A LEU 185.A N LYS 188.A O no hydrogen 3.115 N/A LYS 188.A N LEU 185.A O no hydrogen 3.050 N/A ARG 189.A N ASP 59.A O no hydrogen 2.820 N/A ARG 189.A NE PHE 58.A O no hydrogen 2.686 N/A ARG 189.A NH1 THR 92.A O no hydrogen 2.992 N/A ARG 189.A NH1 ASN 95.A O no hydrogen 2.960 N/A ARG 189.A NH1 ASN 95.A OD1 no hydrogen 3.101 N/A ARG 189.A NH2 ASN 95.A O no hydrogen 2.979 N/A GLY 191.A N ASP 183.A O no hydrogen 3.316 N/A ALA 194.A N ALA 190.A O no hydrogen 3.327 N/A ALA 194.A N GLY 191.A O no hydrogen 3.125 N/A THR 195.A N PRO 192.A O no hydrogen 3.284 N/A THR 195.A OG1 GLY 191.A O no hydrogen 2.843 N/A TYR 196.A OH GLU 528.A OE2 no hydrogen 2.631 N/A LEU 197.A N PRO 192.A O no hydrogen 2.875 N/A GLN 198.A N THR 195.A O no hydrogen 2.937 N/A GLN 198.A NE2 VAL 193.A O no hydrogen 2.992 N/A THR 199.A N THR 195.A O no hydrogen 3.156 N/A THR 199.A OG1 ASP 19.A OD1 no hydrogen 2.742 N/A THR 199.A OG1 ASP 19.A OD2 no hydrogen 3.326 N/A THR 199.A OG1 THR 195.A O no hydrogen 3.547 N/A THR 199.A OG1 TYR 196.A O no hydrogen 3.167 N/A ALA 200.A N TYR 196.A O no hydrogen 3.121 N/A LEU 201.A N LEU 197.A O no hydrogen 2.868 N/A ALA 202.A N GLN 198.A O no hydrogen 3.367 N/A ARG 203.A N ALA 200.A O no hydrogen 2.966 N/A ARG 203.A NH1 ASP 19.A OD1 no hydrogen 2.785 N/A ARG 203.A NH1 SER 22.A OG no hydrogen 3.019 N/A ASN 205.A ND2 SER 22.A O no hydrogen 2.969 N/A ASN 205.A ND2 LYS 26.A O no hydrogen 2.798 N/A PHE 206.A N ARG 203.A O no hydrogen 3.162 N/A THR 207.A N VAL 28.A O no hydrogen 2.885 N/A LYS 209.A N LEU 30.A O no hydrogen 2.951 N/A ASN 211.A N GLY 34.A O no hydrogen 2.920 N/A VAL 212.A N GLU 32.A O no hydrogen 2.910 N/A MET 213.A N ASN 230.A OD1 no hydrogen 2.947 N/A SER 215.A N GLN 228.A O no hydrogen 2.955 N/A SER 215.A OG ASN 216.A OD1 no hydrogen 2.750 N/A SER 215.A OG GLN 228.A O no hydrogen 3.398 N/A ASN 216.A ND2 VAL 217.A O no hydrogen 3.046 N/A VAL 217.A N SER 264.A OG no hydrogen 2.897 N/A VAL 218.A N GLY 226.A O no hydrogen 2.897 N/A ARG 219.A NE SER 264.A O no hydrogen 2.911 N/A ARG 219.A NH1 GLY 221.A O no hydrogen 2.857 N/A ARG 219.A NH1 GLN 290.A O no hydrogen 3.282 N/A ARG 219.A NH2 SER 264.A O no hydrogen 3.314 N/A ARG 219.A NH2 GLY 265.A O no hydrogen 2.966 N/A ARG 219.A NH2 GLN 290.A O no hydrogen 2.820 N/A ASN 220.A N GLN 223.A O no hydrogen 2.878 N/A GLY 221.A N GLN 290.A OE1 no hydrogen 2.860 N/A SER 222.A OG ASN 501.A OD1 no hydrogen 3.098 N/A GLN 223.A N ASN 220.A O no hydrogen 3.123 N/A GLN 223.A NE2 ILE 224.A O no hydrogen 3.271 N/A ILE 224.A N ASN 502.A OD1 no hydrogen 2.863 N/A LEU 225.A N VAL 218.A O no hydrogen 2.627 N/A GLY 226.A N VAL 218.A O no hydrogen 3.422 N/A VAL 227.A N ILE 240.A O no hydrogen 2.872 N/A GLN 228.A N ASN 216.A O no hydrogen 2.857 N/A THR 229.A N GLY 238.A O no hydrogen 2.912 N/A THR 229.A OG1 GLY 238.A O no hydrogen 2.764 N/A ASN 230.A N MET 213.A O no hydrogen 3.165 N/A ASP 231.A N THR 229.A OG1 no hydrogen 3.059 N/A THR 233.A N ASP 231.A OD1 no hydrogen 3.024 N/A THR 233.A OG1 ASP 231.A OD1 no hydrogen 2.400 N/A LEU 234.A N ASP 231.A O no hydrogen 3.169 N/A GLY 238.A N GLY 235.A O no hydrogen 2.951 N/A PHE 239.A N PRO 236.A O no hydrogen 3.040 N/A ILE 240.A N VAL 227.A O no hydrogen 2.974 N/A VAL 242.A N LEU 225.A O no hydrogen 3.157 N/A THR 243.A N TYR 3.A O no hydrogen 2.929 N/A THR 243.A OG1 TYR 3.A O no hydrogen 3.560 N/A THR 243.A OG1 ASP 4.A OD1 no hydrogen 2.923 N/A GLY 246.A N THR 243.A O no hydrogen 2.784 N/A ARG 247.A N ASP 4.A O no hydrogen 2.874 N/A ARG 247.A NH1 TYR 5.A OH no hydrogen 2.964 N/A ARG 247.A NH1 ILE 534.A O no hydrogen 2.885 N/A ARG 247.A NH2 LEU 537.A O no hydrogen 3.000 N/A VAL 248.A N ASN 502.A O no hydrogen 3.094 N/A ILE 249.A N ILE 6.A O no hydrogen 2.818 N/A LEU 250.A N PHE 504.A O no hydrogen 2.863 N/A SER 251.A N VAL 8.A O no hydrogen 2.735 N/A SER 251.A OG VAL 506.A O no hydrogen 2.807 N/A ALA 252.A N THR 257.A OG1 no hydrogen 2.960 N/A GLY 253.A N ASP 507.A OD2 no hydrogen 2.942 N/A THR 257.A N GLY 253.A O no hydrogen 2.788 N/A THR 257.A OG1 GLY 253.A O no hydrogen 3.169 N/A THR 257.A OG1 ASP 507.A OD2 no hydrogen 2.476 N/A SER 258.A N ALA 254.A O no hydrogen 3.435 N/A SER 258.A OG.A ALA 254.A O no hydrogen 2.928 N/A SER 258.A OG.A PHE 255.A O no hydrogen 2.956 N/A SER 258.A OG.B ALA 254.A O no hydrogen 3.096 N/A ARG 259.A N PHE 255.A O no hydrogen 3.061 N/A ARG 259.A NH1 ASP 79.A O no hydrogen 3.009 N/A ARG 259.A NH1 LEU 412.A O no hydrogen 2.960 N/A ARG 259.A NH2 ASP 79.A OD1 no hydrogen 2.924 N/A ILE 260.A N GLY 256.A O no hydrogen 3.077 N/A LEU 261.A N THR 257.A O no hydrogen 2.899 N/A PHE 262.A N SER 258.A O no hydrogen 2.904 N/A GLN 263.A N ARG 259.A O no hydrogen 2.912 N/A GLN 263.A NE2 SER 215.A O no hydrogen 2.639 N/A SER 264.A N LEU 261.A O no hydrogen 2.880 N/A SER 264.A OG ILE 260.A O no hydrogen 2.671 N/A GLY 265.A N PHE 262.A O no hydrogen 3.028 N/A ILE 266.A N LEU 261.A O no hydrogen 2.888 N/A GLY 267.A N ILE 292.A O no hydrogen 2.872 N/A MET 271.A N PRO 268.A O no hydrogen 3.033 N/A ILE 272.A N PRO 268.A O no hydrogen 3.100 N/A GLN 273.A N THR 269.A O no hydrogen 2.826 N/A THR 274.A N ASP 270.A O no hydrogen 3.061 N/A THR 274.A OG1 ASP 270.A O no hydrogen 2.768 N/A VAL 275.A N MET 271.A O no hydrogen 3.100 N/A GLN 276.A N ILE 272.A O no hydrogen 2.845 N/A SER 277.A N GLN 273.A O no hydrogen 2.878 N/A SER 277.A N THR 274.A O no hydrogen 3.190 N/A SER 277.A OG THR 274.A O no hydrogen 2.587 N/A ASN 278.A N VAL 275.A O no hydrogen 2.991 N/A ALA 281.A N ASN 278.A OD1 no hydrogen 2.903 N/A ALA 282.A N ASN 278.A O no hydrogen 2.754 N/A ALA 283.A N PRO 279.A O no hydrogen 3.330 N/A ALA 283.A N THR 280.A O no hydrogen 3.231 N/A ALA 284.A N ALA 281.A O no hydrogen 2.939 N/A LEU 285.A N ALA 282.A O no hydrogen 3.144 N/A GLN 290.A N PRO 287.A O no hydrogen 2.821 N/A TRP 291.A N GLN 288.A O no hydrogen 3.069 N/A TRP 291.A NE1 PRO 286.A O no hydrogen 2.980 N/A ILE 292.A N GLY 265.A O no hydrogen 2.887 N/A VAL 296.A N LEU 294.A O no hydrogen 2.752 N/A GLY 297.A N SER 479.A O no hydrogen 2.768 N/A MET 298.A N PRO 295.A O no hydrogen 3.054 N/A GLN 301.A N VAL 477.A O no hydrogen 2.976 N/A GLN 301.A NE2 ILE 400.A O no hydrogen 3.383 N/A GLN 301.A NE2 SER 402.A O no hydrogen 2.983 N/A GLN 301.A NE2 HIS 513.A NE2 no hydrogen 3.611 N/A ASN 303.A ND2 LEU 396.A O no hydrogen 2.996 N/A SER 305.A N MET 471.A O no hydrogen 2.992 N/A SER 305.A OG SER 473.A OG no hydrogen 2.566 N/A ILE 306.A N VAL 394.A O no hydrogen 2.793 N/A ASN 307.A N TYR 466.A OH no hydrogen 2.988 N/A LEU 308.A N ILE 392.A O no hydrogen 2.781 N/A VAL 309.A N THR 452.A O no hydrogen 2.830 N/A PHE 310.A N PHE 390.A O no hydrogen 2.892 N/A THR 311.A N THR 449.A O no hydrogen 2.874 N/A HIS 312.A N GLN 388.A O no hydrogen 3.348 N/A HIS 312.A NE2 PRO 446.A O no hydrogen 2.906 N/A SER 314.A N HIS 312.A ND1 no hydrogen 3.005 N/A SER 314.A OG HIS 312.A ND1 no hydrogen 2.795 N/A ILE 315.A N HIS 312.A O no hydrogen 3.011 N/A ALA 317.A N SER 387.A O no hydrogen 2.942 N/A TYR 318.A N ASP 316.A OD1 no hydrogen 3.025 N/A TYR 318.A OH ASP 332.A OD2 no hydrogen 2.621 N/A ASN 320.A N ALA 317.A O no hydrogen 2.825 N/A ASN 320.A ND2 ALA 375.A O no hydrogen 2.978 N/A TRP 321.A N TYR 318.A O no hydrogen 2.913 N/A TRP 321.A NE1 PRO 373.A O no hydrogen 2.926 N/A ALA 322.A N GLU 319.A O no hydrogen 3.009 N/A ASN 327.A N ASP 323.A O no hydrogen 2.832 N/A ARG 329.A NE GLU 319.A OE1 no hydrogen 2.869 N/A ARG 329.A NH1 ASP 316.A OD2 no hydrogen 2.764 N/A ARG 329.A NH2 ASP 316.A OD1 no hydrogen 2.883 N/A ARG 329.A NH2 ASP 316.A OD2 no hydrogen 3.411 N/A ARG 329.A NH2 GLU 319.A OE1 no hydrogen 3.162 N/A ARG 329.A NH2 GLU 319.A OE2 no hydrogen 2.909 N/A ALA 333.A N ARG 329.A O no hydrogen 3.141 N/A ALA 334.A N PRO 330.A O no hydrogen 2.967 N/A GLN 335.A N ALA 331.A O no hydrogen 2.970 N/A GLN 335.A NE2 TYR 144.A OH no hydrogen 2.976 N/A GLN 335.A NE2 SER 341.A OG no hydrogen 2.990 N/A TYR 336.A N ASP 332.A O no hydrogen 3.107 N/A TYR 336.A OH GLY 187.A O no hydrogen 2.638 N/A LEU 337.A N ALA 333.A O no hydrogen 2.878 N/A ALA 338.A N ALA 334.A O no hydrogen 3.002 N/A ASN 339.A N GLN 335.A O no hydrogen 3.109 N/A ASN 339.A ND2 SER 341.A OG no hydrogen 2.585 N/A GLN 340.A N TYR 336.A O no hydrogen 2.794 N/A GLN 340.A NE2 TYR 336.A O no hydrogen 2.932 N/A GLY 342.A N SER 138.A OG no hydrogen 2.953 N/A ALA 345.A N GLY 342.A O no hydrogen 3.084 N/A GLY 346.A N VAL 343.A O no hydrogen 3.178 N/A SER 348.A OG GLU 65.A OE2 no hydrogen 2.573 N/A LYS 350.A N VAL 371.A O no hydrogen 2.881 N/A LYS 350.A NZ TYR 144.A O no hydrogen 2.881 N/A ASN 352.A N GLY 178.A O no hydrogen 3.011 N/A PHE 353.A N GLY 369.A O no hydrogen 3.007 N/A TRP 354.A N VAL 176.A O no hydrogen 3.085 N/A TRP 354.A NE1 GLN 368.A OE1 no hydrogen 3.137 N/A ARG 355.A N ALA 367.A O no hydrogen 2.972 N/A ALA 356.A N ASP 174.A OD1 no hydrogen 2.773 N/A TYR 357.A N ARG 365.A O no hydrogen 2.696 N/A TYR 357.A OH ASP 437.A OD2 no hydrogen 2.591 N/A GLY 359.A N PHE 363.A O no hydrogen 3.006 N/A GLY 362.A N GLY 359.A O no hydrogen 2.942 N/A PHE 363.A N ASP 361.A OD1 no hydrogen 3.370 N/A ARG 365.A N TYR 357.A O no hydrogen 2.803 N/A ARG 365.A NE ASP 427.A OD1 no hydrogen 2.854 N/A ARG 365.A NH1 ASP 361.A OD1 no hydrogen 2.935 N/A ARG 365.A NH1 PHE 363.A O no hydrogen 3.194 N/A ARG 365.A NH2 ASP 361.A OD2 no hydrogen 2.783 N/A ARG 365.A NH2 ASN 424.A OD1 no hydrogen 3.339 N/A ARG 365.A NH2 ASP 427.A OD1 no hydrogen 3.061 N/A TYR 366.A N THR 398.A O no hydrogen 3.041 N/A ALA 367.A N ARG 355.A O no hydrogen 2.808 N/A GLN 368.A N TYR 395.A O no hydrogen 2.782 N/A GLN 368.A NE2 ASN 352.A OD1 no hydrogen 3.583 N/A GLN 368.A NE2 THR 370.A OG1 no hydrogen 3.091 N/A GLN 368.A NE2 ASN 518.A OD1 no hydrogen 2.896 N/A GLY 369.A N PHE 353.A O no hydrogen 2.830 N/A THR 370.A N THR 393.A O no hydrogen 2.906 N/A THR 370.A OG1 ASN 352.A OD1 no hydrogen 2.837 N/A VAL 371.A N LEU 351.A O no hydrogen 2.888 N/A ARG 372.A N THR 391.A O no hydrogen 2.974 N/A ARG 372.A NH1 PRO 373.A O no hydrogen 3.016 N/A GLY 374.A N ILE 389.A O no hydrogen 2.886 N/A ALA 375.A N ASN 320.A OD1 no hydrogen 2.820 N/A ASN 379.A N THR 452.A OG1 no hydrogen 2.811 N/A SER 380.A OG LEU 382.A O no hydrogen 2.801 N/A SER 381.A N ASP 454.A OD2 no hydrogen 2.861 N/A SER 381.A OG ASP 454.A OD2 no hydrogen 2.796 N/A LEU 382.A N SER 380.A OG no hydrogen 3.145 N/A SER 387.A N ASN 385.A OD1 no hydrogen 2.939 N/A GLN 388.A N ASN 385.A O no hydrogen 3.049 N/A PHE 390.A N PHE 310.A O no hydrogen 2.911 N/A THR 391.A N ARG 372.A O no hydrogen 2.869 N/A THR 391.A OG1 GLY 374.A O no hydrogen 2.814 N/A ILE 392.A N LEU 308.A O no hydrogen 2.779 N/A THR 393.A N THR 370.A O no hydrogen 2.839 N/A VAL 394.A N ILE 306.A O no hydrogen 2.861 N/A TYR 395.A N GLN 368.A O no hydrogen 2.980 N/A TYR 395.A OH GLN 368.A OE1 no hydrogen 2.745 N/A SER 397.A N TYR 366.A O no hydrogen 2.927 N/A SER 397.A OG THR 516.A O no hydrogen 2.745 N/A THR 398.A OG1 THR 516.A OG1 no hydrogen 2.768 N/A ILE 400.A N SER 397.A O no hydrogen 3.296 N/A GLN 401.A N ASP 427.A OD1 no hydrogen 2.969 N/A GLN 401.A NE2 GLY 399.A O no hydrogen 3.024 N/A SER 402.A N ASP 427.A OD2 no hydrogen 2.954 N/A SER 402.A OG ASP 427.A OD2 no hydrogen 2.626 N/A ARG 403.A NH1 ASN 299.A O no hydrogen 2.932 N/A ARG 403.A NH1 SER 478.A OG no hydrogen 3.088 N/A ARG 403.A NH1 PRO 512.A O no hydrogen 3.229 N/A ARG 403.A NH2 PRO 512.A O no hydrogen 2.912 N/A GLY 404.A N ALA 300.A O no hydrogen 2.751 N/A ARG 405.A N THR 418.A O no hydrogen 2.931 N/A ARG 405.A NH1 ASP 270.A OD2 no hydrogen 2.895 N/A ARG 405.A NH2 ASP 270.A OD1 no hydrogen 2.834 N/A ARG 405.A NH2 ASP 270.A OD2 no hydrogen 3.315 N/A ILE 406.A N GLY 297.A O no hydrogen 2.904 N/A GLY 407.A N THR 415.A O no hydrogen 2.942 N/A ASP 409.A N ARG 413.A O no hydrogen 3.053 N/A LEU 412.A N ASP 409.A O no hydrogen 2.882 N/A ARG 413.A N ASP 409.A OD1 no hydrogen 2.991 N/A ARG 413.A NE ASP 409.A OD2 no hydrogen 3.022 N/A ARG 413.A NH2 ASP 409.A OD2 no hydrogen 3.285 N/A GLY 414.A N ASP 79.A O no hydrogen 2.923 N/A THR 415.A N GLY 407.A O no hydrogen 2.813 N/A THR 415.A OG1 THR 81.A OG1 no hydrogen 3.126 N/A LEU 417.A N ARG 405.A O no hydrogen 2.883 N/A THR 418.A N ARG 405.A O no hydrogen 2.973 N/A TRP 421.A NE1 ASP 302.A OD2 no hydrogen 2.757 N/A ASN 424.A N SER 402.A OG no hydrogen 2.966 N/A ASP 427.A N ASN 424.A OD1 no hydrogen 3.031 N/A LYS 428.A N ASN 424.A O no hydrogen 3.466 N/A LYS 428.A NZ ASP 464.A OD1 no hydrogen 2.564 N/A THR 429.A N PRO 425.A O no hydrogen 2.981 N/A THR 429.A OG1 PRO 425.A O no hydrogen 3.248 N/A VAL 430.A N VAL 426.A O no hydrogen 2.903 N/A LEU 431.A N ASP 427.A O no hydrogen 2.870 N/A LEU 432.A N LYS 428.A O no hydrogen 3.002 N/A GLN 433.A N THR 429.A O no hydrogen 3.066 N/A GLN 433.A NE2 GLN 433.A O no hydrogen 3.542 N/A GLN 433.A NE2 ASP 437.A OD1 no hydrogen 3.254 N/A ALA 434.A N VAL 430.A O no hydrogen 2.875 N/A LEU 435.A N LEU 431.A O no hydrogen 2.873 N/A HIS 436.A N LEU 432.A O no hydrogen 2.846 N/A HIS 436.A NE2 GLU 460.A OE2 no hydrogen 2.567 N/A ASP 437.A N GLN 433.A O no hydrogen 2.880 N/A VAL 438.A N ALA 434.A O no hydrogen 3.056 N/A VAL 439.A N LEU 435.A O no hydrogen 3.309 N/A SER 440.A N ASP 437.A O no hydrogen 3.116 N/A SER 440.A OG ASP 437.A O no hydrogen 2.728 N/A ASN 441.A ND2 LEU 155.A O no hydrogen 2.938 N/A ILE 442.A N VAL 439.A O no hydrogen 3.304 N/A SER 444.A N ASN 441.A O no hydrogen 2.933 N/A ILE 445.A N ILE 442.A O no hydrogen 3.107 N/A LEU 448.A N ILE 445.A O no hydrogen 3.189 N/A THR 449.A N THR 311.A O no hydrogen 3.028 N/A ILE 451.A N VAL 309.A O no hydrogen 2.832 N/A THR 452.A N VAL 309.A O no hydrogen 3.202 N/A THR 452.A OG1 ILE 451.A O no hydrogen 2.783 N/A THR 456.A N ASP 454.A OD1 no hydrogen 3.017 N/A THR 456.A OG1 ASP 454.A OD1 no hydrogen 2.801 N/A GLN 457.A N ASP 454.A O no hydrogen 3.132 N/A THR 458.A N GLU 461.A OE1 no hydrogen 2.976 N/A GLU 461.A N THR 458.A OG1 no hydrogen 3.039 N/A TYR 462.A N THR 458.A O no hydrogen 2.860 N/A TYR 462.A OH ASN 307.A O no hydrogen 2.596 N/A VAL 463.A N LEU 459.A O no hydrogen 2.907 N/A ASP 464.A N GLU 460.A O no hydrogen 3.052 N/A ALA 465.A N GLU 461.A O no hydrogen 2.982 N/A ALA 465.A N TYR 462.A O no hydrogen 3.263 N/A TYR 466.A N VAL 463.A O no hydrogen 3.221 N/A ALA 469.A N ASP 467.A OD1 no hydrogen 3.140 N/A THR 470.A N ASP 467.A O no hydrogen 2.887 N/A THR 470.A OG1 ASP 467.A O no hydrogen 2.627 N/A MET 471.A N PRO 468.A O no hydrogen 2.841 N/A ASN 472.A N ALA 469.A O no hydrogen 3.345 N/A SER 473.A N ASP 302.A OD2 no hydrogen 2.810 N/A SER 473.A OG ASN 303.A O no hydrogen 2.706 N/A SER 473.A OG SER 305.A OG no hydrogen 2.566 N/A SER 473.A OG MET 471.A O no hydrogen 3.434 N/A ASN 474.A N ASN 472.A OD1 no hydrogen 2.765 N/A HIS 475.A N ASP 302.A OD1 no hydrogen 2.739 N/A HIS 475.A ND1 ASN 303.A OD1 no hydrogen 2.724 N/A VAL 477.A N GLN 301.A O no hydrogen 3.013 N/A SER 478.A N ALA 508.A O no hydrogen 3.475 N/A SER 478.A OG ILE 511.A O no hydrogen 2.678 N/A THR 480.A N GLY 509.A O no hydrogen 2.888 N/A THR 481.A OG1 ILE 482.A O no hydrogen 2.877 N/A ILE 482.A N ILE 510.A O no hydrogen 2.991 N/A GLY 483.A N VAL 491.A O no hydrogen 2.923 N/A GLN 487.A N SER 485.A OG no hydrogen 3.006 N/A SER 488.A N SER 485.A O no hydrogen 3.148 N/A VAL 490.A N THR 481.A O no hydrogen 2.927 N/A VAL 491.A N THR 481.A O no hydrogen 3.233 N/A ASP 492.A N LYS 496.A O no hydrogen 2.914 N/A ASN 494.A N ASP 492.A OD1 no hydrogen 2.814 N/A VAL 495.A N ASP 492.A O no hydrogen 2.842 N/A LYS 496.A N ASP 492.A OD1 no hydrogen 3.060 N/A LYS 496.A NZ THR 500.A O no hydrogen 2.742 N/A VAL 497.A N LEU 503.A O no hydrogen 2.814 N/A PHE 498.A N VAL 490.A O no hydrogen 3.125 N/A THR 500.A N VAL 497.A O no hydrogen 3.067 N/A THR 500.A OG1 VAL 497.A O no hydrogen 2.791 N/A THR 500.A OG1 LEU 503.A O no hydrogen 3.411 N/A ASN 501.A N SER 222.A O no hydrogen 2.777 N/A ASN 501.A ND2 GLN 223.A OE1 no hydrogen 2.839 N/A ASN 502.A ND2 ILE 224.A O no hydrogen 2.911 N/A ASN 502.A ND2 GLY 246.A O no hydrogen 2.931 N/A LEU 503.A N THR 500.A OG1 no hydrogen 3.326 N/A PHE 504.A N VAL 248.A O no hydrogen 2.863 N/A ILE 505.A N VAL 495.A O no hydrogen 3.033 N/A VAL 506.A N LEU 250.A O no hydrogen 2.928 N/A GLY 509.A N ASP 507.A OD1 no hydrogen 2.955 N/A ILE 510.A N ASP 507.A O no hydrogen 3.203 N/A ILE 511.A N ALA 508.A O no hydrogen 3.060 N/A HIS 513.A ND1 LEU 514.A O no hydrogen 2.721 N/A HIS 513.A NE2 ILE 400.A O no hydrogen 2.658 N/A LEU 514.A N GLN 301.A OE1 no hydrogen 2.901 N/A THR 516.A N ASP 106.A OD1 no hydrogen 2.852 N/A THR 516.A OG1 ASP 106.A OD1 no hydrogen 3.251 N/A THR 516.A OG1 THR 398.A OG1 no hydrogen 2.768 N/A ASN 518.A ND2 HIS 475.A NE2 no hydrogen 3.267 N/A GLN 520.A NE2 LEU 98.A O no hydrogen 3.222 N/A LEU 523.A N PRO 519.A O no hydrogen 2.892 N/A MET 524.A N GLN 520.A O no hydrogen 2.846 N/A SER 525.A N GLY 521.A O no hydrogen 3.118 N/A SER 525.A OG THR 124.A OG1 no hydrogen 2.727 N/A ALA 526.A N THR 522.A O no hydrogen 2.826 N/A ALA 527.A N LEU 523.A O no hydrogen 2.793 N/A GLU 528.A N MET 524.A O no hydrogen 3.033 N/A GLN 529.A N SER 525.A O no hydrogen 2.967 N/A GLN 529.A NE2 TRP 117.A O no hydrogen 3.085 N/A ALA 530.A N ALA 526.A O no hydrogen 2.752 N/A ALA 531.A N ALA 527.A O no hydrogen 2.942 N/A ALA 532.A N GLU 528.A O no hydrogen 3.233 N/A LYS 533.A N GLN 529.A O no hydrogen 2.927 N/A LYS 533.A NZ SER 116.A O no hydrogen 2.821 N/A LYS 533.A NZ GLN 529.A OE1 no hydrogen 3.210 N/A ILE 534.A N ALA 530.A O no hydrogen 2.871 N/A LEU 535.A N ALA 531.A O no hydrogen 2.982 N/A ALA 536.A N ALA 532.A O no hydrogen 2.904 N/A LEU 537.A N ILE 534.A O no hydrogen 3.215 N/A