Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2deb_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A N ASP 1.A OD1 no hydrogen 3.163 N/A LEU 4.A N THR 130.A OG1 no hydrogen 3.001 N/A GLN 5.A NE2 GLU 348.A OE2 no hydrogen 3.415 N/A HIS 6.A NE2 ASP 1.A OD1 no hydrogen 2.767 N/A HIS 6.A NE2 ASP 1.A OD2 no hydrogen 2.818 N/A SER 7.A N LEU 135.A O no hydrogen 2.908 N/A SER 7.A OG VAL 9.A O no hydrogen 2.581 N/A THR 11.A N GLY 134.A O no hydrogen 3.112 N/A THR 11.A OG1 LEU 136.A O no hydrogen 2.642 N/A HIS 12.A NE2 ILE 157.A O no hydrogen 2.905 N/A GLN 14.A NE2 LEU 177.A O no hydrogen 3.052 N/A SER 16.A N TYR 13.A O no hydrogen 3.280 N/A SER 16.A OG PRO 162.A O no hydrogen 2.817 N/A SER 16.A OG SER 165.A OG no hydrogen 3.055 N/A ARG 19.A NE.A LYS 74.A O no hydrogen 3.122 N/A ARG 19.A NH1.A ASP 70.A OD2 no hydrogen 2.879 N/A ARG 19.A NH2.A ASP 70.A OD1 no hydrogen 2.935 N/A ARG 19.A NH2.A THR 76.A O no hydrogen 2.950 N/A ARG 19.A NH2.B ASP 70.A OD2 no hydrogen 2.902 N/A ASP 27.A N LYS 24.A O no hydrogen 3.052 N/A THR 28.A N LYS 24.A O no hydrogen 3.136 N/A THR 28.A OG1 HIS 513.A ND1 no hydrogen 2.643 N/A ARG 30.A N ASP 27.A O no hydrogen 2.891 N/A ARG 30.A NH1 GLN 508.A OE1 no hydrogen 2.942 N/A TYR 31.A N THR 28.A O no hydrogen 2.920 N/A ASN 33.A N LYS 29.A O no hydrogen 2.850 N/A ALA 34.A N ARG 30.A O no hydrogen 2.997 N/A GLN 35.A N TYR 31.A O no hydrogen 3.009 N/A GLN 35.A NE2 TYR 31.A OH no hydrogen 3.121 N/A GLN 35.A NE2 ALA 536.A O no hydrogen 3.109 N/A LYS 36.A N LEU 32.A O no hydrogen 2.966 N/A LEU 38.A N GLN 35.A O no hydrogen 2.886 N/A LEU 39.A N GLN 35.A O no hydrogen 3.098 N/A ASP 40.A N GLN 43.A OE1 no hydrogen 3.069 N/A GLN 43.A N ASP 40.A OD1 no hydrogen 2.795 N/A PHE 44.A N ASP 40.A O no hydrogen 2.890 N/A ARG 45.A N ASP 41.A O no hydrogen 2.978 N/A ARG 46.A N SER 42.A O no hydrogen 3.199 N/A THR 47.A N GLN 43.A O no hydrogen 2.951 N/A THR 47.A OG1 GLN 43.A O no hydrogen 3.321 N/A THR 47.A OG1 ASP 534.A OD2 no hydrogen 2.662 N/A GLU 48.A N PHE 44.A O no hydrogen 2.812 N/A ALA 49.A N ARG 45.A O no hydrogen 3.062 N/A LEU 50.A N ARG 46.A O no hydrogen 3.097 N/A CYS 51.A N THR 47.A O no hydrogen 2.858 N/A CYS 51.A SG THR 47.A O no hydrogen 3.319 N/A LYS 52.A N GLU 48.A O no hydrogen 3.033 N/A ASN 53.A N ALA 49.A O no hydrogen 3.111 N/A PHE 54.A N LEU 50.A O no hydrogen 2.850 N/A GLU 55.A N CYS 51.A O no hydrogen 2.923 N/A THR 56.A N LYS 52.A O no hydrogen 3.244 N/A THR 56.A OG1 LYS 52.A O no hydrogen 3.129 N/A THR 56.A OG1 ASN 53.A O no hydrogen 3.327 N/A GLY 57.A N PHE 54.A O no hydrogen 3.286 N/A LYS 60.A N PHE 54.A O no hydrogen 3.220 N/A LYS 60.A NZ THR 56.A O no hydrogen 3.283 N/A GLU 61.A N GLY 57.A O no hydrogen 3.178 N/A LEU 62.A N VAL 58.A O no hydrogen 2.827 N/A HIS 63.A N GLY 59.A O no hydrogen 2.891 N/A HIS 63.A ND1 HIS 513.A NE2 no hydrogen 2.873 N/A ALA 64.A N LYS 60.A O no hydrogen 3.024 N/A HIS 65.A N GLU 61.A O no hydrogen 3.041 N/A LEU 66.A N LEU 62.A O no hydrogen 2.765 N/A LEU 67.A N HIS 63.A O no hydrogen 2.904 N/A ALA 68.A N ALA 64.A O no hydrogen 3.103 N/A GLN 69.A N HIS 65.A O no hydrogen 2.926 N/A ASP 70.A N LEU 66.A O no hydrogen 2.934 N/A LYS 71.A N LEU 67.A O no hydrogen 2.991 N/A GLN 72.A N ALA 68.A O no hydrogen 3.161 N/A GLN 72.A N GLN 69.A O no hydrogen 3.141 N/A ASN 73.A N ASP 70.A O no hydrogen 2.990 N/A ASN 73.A ND2 GLN 69.A O no hydrogen 2.650 N/A THR 76.A N ASN 73.A O no hydrogen 3.182 N/A THR 76.A OG1 HIS 457.A ND1 no hydrogen 2.844 N/A SER 77.A N THR 76.A OG1 no hydrogen 2.722 N/A SER 77.A OG HIS 457.A O no hydrogen 2.707 N/A SER 80.A N SER 77.A OG no hydrogen 3.253 N/A TRP 83.A N ILE 79.A O no hydrogen 2.917 N/A PHE 84.A N SER 80.A O no hydrogen 2.956 N/A ASP 85.A N GLY 81.A O no hydrogen 2.902 N/A LEU 87.A N PHE 84.A O no hydrogen 2.878 N/A THR 88.A N ASP 85.A O no hydrogen 2.889 N/A THR 88.A OG1.A ASP 85.A O no hydrogen 2.541 N/A THR 88.A OG1.B ASN 194.A O no hydrogen 3.054 N/A ARG 90.A NE THR 88.A O no hydrogen 2.928 N/A ARG 90.A NH1 ARG 192.A O no hydrogen 2.758 N/A ARG 90.A NH1 ASP 261.A OD1 no hydrogen 2.993 N/A ARG 90.A NH2 LEU 87.A O no hydrogen 3.119 N/A ARG 90.A NH2 ASP 196.A OD1 no hydrogen 2.924 N/A SER 92.A OG SER 257.A O no hydrogen 2.553 N/A VAL 94.A N SER 92.A OG no hydrogen 3.170 N/A ASN 96.A N VAL 94.A O no hydrogen 2.771 N/A PHE 97.A N ILE 93.A O no hydrogen 3.159 N/A ASN 98.A N ILE 93.A O no hydrogen 2.960 N/A ASN 98.A ND2 PHE 314.A O no hydrogen 3.276 N/A PHE 100.A N GLY 558.A O no hydrogen 3.029 N/A PHE 102.A N ALA 328.A O no hydrogen 2.856 N/A ASN 103.A N ALA 553.A O no hydrogen 2.868 N/A ASP 105.A N ASN 111.A OD1 no hydrogen 3.002 N/A LYS 107.A N ASP 105.A OD1 no hydrogen 2.821 N/A TYR 110.A N LYS 107.A O no hydrogen 3.106 N/A ASN 111.A N SER 108.A O no hydrogen 3.093 N/A ASN 111.A ND2 ASP 105.A O no hydrogen 2.908 N/A ASN 111.A ND2 SER 108.A O no hydrogen 3.142 N/A ASP 112.A N GLU 109.A O no hydrogen 3.379 N/A GLN 113.A NE2 ASP 292.A O no hydrogen 2.857 N/A GLN 113.A NE2 VAL 322.A O no hydrogen 3.025 N/A THR 115.A N ASP 112.A OD2 no hydrogen 3.005 N/A THR 115.A OG1 ASP 112.A OD2 no hydrogen 2.693 N/A ARG 116.A N ASP 112.A O no hydrogen 2.834 N/A ARG 116.A NH1 GLY 326.A O no hydrogen 2.990 N/A ARG 116.A NH2 ASN 103.A O no hydrogen 2.890 N/A ALA 117.A N GLN 113.A O no hydrogen 2.844 N/A THR 118.A N LEU 114.A O no hydrogen 3.026 N/A THR 118.A OG1 LEU 114.A O no hydrogen 2.831 N/A ASN 119.A N THR 115.A O no hydrogen 2.888 N/A ASN 119.A ND2 ILE 359.A O no hydrogen 2.976 N/A LEU 120.A N ARG 116.A O no hydrogen 2.800 N/A THR 121.A N ALA 117.A O no hydrogen 3.027 N/A THR 121.A OG1 ALA 117.A O no hydrogen 2.728 N/A VAL 122.A N THR 118.A O no hydrogen 2.921 N/A SER 123.A N ASN 119.A O no hydrogen 3.018 N/A SER 123.A OG ASN 119.A O no hydrogen 3.126 N/A SER 123.A OG ASP 352.A OD2 no hydrogen 2.765 N/A ALA 124.A N LEU 120.A O no hydrogen 2.890 N/A VAL 125.A N THR 121.A O no hydrogen 2.977 N/A ARG 126.A N VAL 122.A O no hydrogen 2.842 N/A ARG 126.A NE.B ASP 352.A OD1 no hydrogen 3.460 N/A ARG 126.A NE.B ASP 352.A OD2 no hydrogen 2.797 N/A ARG 126.A NH1.A ASP 352.A OD2 no hydrogen 2.759 N/A ARG 126.A NH1.A THR 356.A O no hydrogen 2.999 N/A ARG 126.A NH1.B ASP 1.A O no hydrogen 2.973 N/A ARG 126.A NH2.B ASP 352.A OD1 no hydrogen 2.870 N/A PHE 127.A N SER 123.A O no hydrogen 2.861 N/A LEU 128.A N ALA 124.A O no hydrogen 3.050 N/A LYS 129.A N VAL 125.A O no hydrogen 3.001 N/A LYS 129.A NZ GLY 225.A O no hydrogen 2.821 N/A THR 130.A N ARG 126.A O no hydrogen 2.882 N/A THR 130.A OG1 ARG 126.A O no hydrogen 2.699 N/A LEU 131.A N PHE 127.A O no hydrogen 2.860 N/A GLN 132.A N LEU 128.A O no hydrogen 2.931 N/A ALA 133.A N LYS 129.A O no hydrogen 2.834 N/A GLY 134.A N LEU 131.A O no hydrogen 3.099 N/A LEU 135.A N THR 130.A O no hydrogen 2.946 N/A GLU 137.A N GLN 5.A OE1 no hydrogen 2.786 N/A PHE 141.A N TYR 175.A O no hydrogen 2.915 N/A LEU 143.A N ASN 173.A O no hydrogen 3.143 N/A SER 146.A OG ASN 144.A OD1 no hydrogen 3.514 N/A LYS 147.A N ASN 144.A O no hydrogen 3.194 N/A SER 148.A N ASN 144.A O no hydrogen 3.195 N/A SER 148.A OG ASN 144.A O no hydrogen 2.708 N/A ASP 149.A N PRO 145.A O no hydrogen 2.819 N/A THR 150.A OG1 LYS 147.A O no hydrogen 3.222 N/A PHE 153.A N THR 150.A OG1 no hydrogen 3.057 N/A LYS 154.A N THR 150.A O no hydrogen 2.979 N/A LYS 154.A NZ GLU 137.A OE1 no hydrogen 3.211 N/A LYS 154.A NZ GLU 137.A OE2 no hydrogen 3.201 N/A LYS 154.A NZ ASP 149.A OD1 no hydrogen 3.246 N/A ARG 155.A N ASP 151.A O no hydrogen 2.803 N/A LEU 156.A N PHE 153.A O no hydrogen 3.060 N/A ILE 157.A N PHE 153.A O no hydrogen 2.930 N/A ARG 158.A N LYS 154.A O no hydrogen 3.377 N/A PHE 159.A N LEU 156.A O no hydrogen 3.030 N/A VAL 160.A N ILE 157.A O no hydrogen 3.021 N/A LEU 164.A N PRO 161.A O no hydrogen 2.820 N/A SER 165.A OG HIS 12.A O no hydrogen 2.801 N/A SER 165.A OG SER 16.A OG no hydrogen 3.055 N/A SER 165.A OG PRO 162.A O no hydrogen 3.215 N/A TRP 166.A N SER 16.A OG no hydrogen 2.962 N/A GLY 168.A N LEU 164.A O no hydrogen 3.462 N/A ALA 169.A N SER 165.A O no hydrogen 3.272 N/A TYR 170.A N TRP 166.A O no hydrogen 2.862 N/A LEU 171.A N TYR 167.A O no hydrogen 2.963 N/A VAL 172.A N ALA 169.A O no hydrogen 2.950 N/A ASN 173.A N TYR 170.A O no hydrogen 2.939 N/A ALA 174.A N ALA 169.A O no hydrogen 3.015 N/A TYR 175.A N PHE 141.A O no hydrogen 2.749 N/A LEU 177.A N GLU 139.A O no hydrogen 2.915 N/A ASP 178.A N ALA 453.A O no hydrogen 2.740 N/A SER 179.A OG ASP 178.A OD2 no hydrogen 2.649 N/A GLN 180.A NE2 ASP 338.A OD2 no hydrogen 2.911 N/A TYR 181.A OH GLU 139.A OE1 no hydrogen 2.699 N/A ARG 183.A N GLN 180.A O no hydrogen 3.145 N/A LEU 184.A N TYR 181.A O no hydrogen 3.019 N/A PHE 185.A N PHE 182.A O no hydrogen 3.338 N/A ASN 186.A N VAL 286.A O no hydrogen 2.974 N/A ASN 186.A ND2 ALA 204.A O no hydrogen 3.263 N/A ASN 186.A ND2 SER 284.A O no hydrogen 2.770 N/A SER 187.A OG PHE 185.A O no hydrogen 2.796 N/A SER 187.A OG THR 200.A OG1 no hydrogen 2.755 N/A THR 188.A N PHE 199.A O no hydrogen 2.987 N/A THR 188.A OG1 ASP 315.A O no hydrogen 3.051 N/A ARG 189.A N ASP 315.A O no hydrogen 2.953 N/A ARG 189.A NE ASP 196.A OD2 no hydrogen 2.757 N/A ARG 189.A NH1 GLU 333.A OE2 no hydrogen 2.962 N/A ARG 189.A NH2 TYR 86.A O no hydrogen 3.169 N/A ARG 189.A NH2 ASP 196.A OD2 no hydrogen 3.147 N/A ILE 190.A N GLU 197.A O no hydrogen 2.771 N/A ARG 192.A N ASP 196.A OD1 no hydrogen 2.953 N/A ARG 192.A NE GLU 197.A OE1 no hydrogen 3.059 N/A ARG 192.A NH2 GLU 197.A OE1 no hydrogen 2.948 N/A ARG 195.A N PRO 193.A O no hydrogen 2.729 N/A ARG 195.A NH2 ASP 85.A OD1 no hydrogen 3.075 N/A ASP 196.A N LEU 87.A O no hydrogen 2.954 N/A GLU 197.A N ILE 190.A O no hydrogen 2.992 N/A PHE 199.A N THR 188.A O no hydrogen 2.865 N/A THR 200.A OG1 SER 187.A OG no hydrogen 2.755 N/A ASP 201.A N ASN 186.A O no hydrogen 2.958 N/A LYS 203.A N ASP 201.A OD1 no hydrogen 3.071 N/A LYS 203.A NZ ASP 201.A OD1 no hydrogen 3.225 N/A ALA 204.A N ASP 201.A O no hydrogen 3.247 N/A ARG 205.A NH1 ASP 219.A OD2 no hydrogen 3.150 N/A ARG 205.A NH1 LEU 221.A O no hydrogen 2.911 N/A HIS 206.A NE2 LYS 281.A O no hydrogen 2.679 N/A LEU 207.A N PHE 218.A O no hydrogen 2.810 N/A LEU 208.A N PHE 287.A O no hydrogen 3.340 N/A VAL 209.A N TYR 216.A O no hydrogen 2.762 N/A LEU 210.A N LEU 289.A O no hydrogen 2.884 N/A ARG 211.A N HIS 214.A O no hydrogen 3.099 N/A ARG 211.A NE ASP 293.A OD1 no hydrogen 2.882 N/A ARG 211.A NH1 ILE 240.A O no hydrogen 2.980 N/A ARG 211.A NH1 ASP 243.A O no hydrogen 2.951 N/A ARG 211.A NH2 ASP 293.A OD1 no hydrogen 3.488 N/A HIS 214.A N ARG 211.A O no hydrogen 2.952 N/A HIS 214.A NE2 PRO 246.A O no hydrogen 2.719 N/A TYR 216.A N VAL 209.A O no hydrogen 2.832 N/A VAL 217.A N GLU 375.A O no hydrogen 2.916 N/A PHE 218.A N LEU 207.A O no hydrogen 3.301 N/A VAL 220.A N ARG 205.A O no hydrogen 2.938 N/A LEU 221.A N ARG 205.A O no hydrogen 3.216 N/A ASP 222.A N ASN 226.A O no hydrogen 2.795 N/A ASP 224.A N ASP 222.A OD1 no hydrogen 2.950 N/A GLY 225.A N ASP 222.A O no hydrogen 2.956 N/A ASN 226.A N ASP 222.A OD1 no hydrogen 2.869 N/A VAL 228.A N VAL 220.A O no hydrogen 2.951 N/A LEU 231.A N ASN 229.A OD1 no hydrogen 2.886 N/A GLU 232.A N ASN 229.A O no hydrogen 2.831 N/A ILE 233.A N ASN 229.A O no hydrogen 3.045 N/A GLN 234.A N PRO 230.A O no hydrogen 2.835 N/A GLN 234.A NE2 SER 363.A O no hydrogen 3.061 N/A ALA 235.A N LEU 231.A O no hydrogen 3.109 N/A HIS 236.A N GLU 232.A O no hydrogen 2.924 N/A LEU 237.A N ILE 233.A O no hydrogen 2.917 N/A LYS 238.A N GLN 234.A O no hydrogen 2.874 N/A TYR 239.A N ALA 235.A O no hydrogen 2.860 N/A ILE 240.A N HIS 236.A O no hydrogen 3.063 N/A LEU 241.A N LEU 237.A O no hydrogen 2.854 N/A SER 242.A N LYS 238.A O no hydrogen 2.914 N/A SER 242.A OG LYS 238.A O no hydrogen 2.760 N/A ASP 243.A N ILE 240.A O no hydrogen 3.181 N/A SER 245.A N ASP 243.A OD2 no hydrogen 2.955 N/A SER 245.A OG ASP 243.A OD2 no hydrogen 3.296 N/A TYR 254.A N PRO 251.A O no hydrogen 3.355 N/A TYR 254.A OH ASP 308.A O no hydrogen 3.428 N/A LEU 255.A N VAL 252.A O no hydrogen 2.990 N/A THR 256.A N ALA 253.A O no hydrogen 3.097 N/A THR 256.A OG1 ALA 253.A O no hydrogen 2.759 N/A SER 257.A N TYR 254.A O no hydrogen 3.000 N/A SER 257.A OG TYR 254.A O no hydrogen 2.625 N/A GLU 258.A N LEU 255.A O no hydrogen 3.156 N/A ASN 259.A N GLU 258.A OE2 no hydrogen 2.819 N/A ARG 260.A N ARG 90.A O no hydrogen 2.822 N/A ARG 260.A NE ASP 196.A OD2 no hydrogen 2.800 N/A ARG 260.A NH1 ASP 315.A OD1 no hydrogen 2.774 N/A ARG 260.A NH2 ASP 196.A OD2 no hydrogen 3.048 N/A ARG 260.A NH2 ASP 315.A OD1 no hydrogen 2.931 N/A ASP 261.A N ASN 259.A OD1 no hydrogen 2.844 N/A VAL 262.A N ASN 259.A OD1 no hydrogen 3.088 N/A TRP 263.A N ASN 259.A O no hydrogen 2.885 N/A TRP 263.A NE1 ASP 315.A OD2 no hydrogen 2.707 N/A ALA 264.A N ARG 260.A O no hydrogen 2.828 N/A GLU 265.A N ASP 261.A O no hydrogen 3.089 N/A LEU 266.A N VAL 262.A O no hydrogen 3.029 N/A ARG 267.A N TRP 263.A O no hydrogen 2.845 N/A ARG 267.A NH2 ASP 283.A OD2 no hydrogen 2.837 N/A GLN 268.A N ALA 264.A O no hydrogen 3.164 N/A LYS 269.A N GLU 265.A O no hydrogen 2.999 N/A LEU 270.A N LEU 266.A O no hydrogen 2.885 N/A ILE 271.A N ARG 267.A O no hydrogen 3.003 N/A PHE 272.A N GLN 268.A O no hydrogen 2.922 N/A ASP 273.A N LYS 269.A O no hydrogen 2.937 N/A GLY 274.A N ILE 271.A O no hydrogen 2.979 N/A ASN 275.A N LEU 270.A O no hydrogen 2.992 N/A ASN 275.A ND2 LEU 270.A O no hydrogen 2.927 N/A ASN 275.A ND2 ASN 380.A O no hydrogen 2.949 N/A LEU 279.A N ASN 275.A O no hydrogen 2.915 N/A LYS 280.A N GLU 276.A O no hydrogen 2.832 N/A LYS 281.A N GLU 277.A O no hydrogen 3.220 N/A LYS 281.A NZ GLU 375.A OE1 no hydrogen 2.746 N/A LYS 281.A NZ GLU 375.A OE2 no hydrogen 3.254 N/A VAL 282.A N THR 278.A O no hydrogen 3.150 N/A ASP 283.A N LEU 279.A O no hydrogen 2.817 N/A SER 284.A N LYS 280.A O no hydrogen 2.995 N/A SER 284.A OG LYS 280.A O no hydrogen 2.693 N/A VAL 286.A N HIS 206.A O no hydrogen 2.819 N/A CYS 288.A N PHE 318.A O no hydrogen 3.435 N/A CYS 288.A SG ASN 319.A OD1 no hydrogen 3.422 N/A LEU 289.A N LEU 208.A O no hydrogen 2.806 N/A CYS 290.A N LEU 320.A O no hydrogen 2.763 N/A CYS 290.A SG ASN 311.A O no hydrogen 3.116 N/A CYS 290.A SG ASN 319.A OD1 no hydrogen 3.173 N/A LEU 291.A N LEU 210.A O no hydrogen 2.904 N/A ASP 292.A N VAL 322.A O no hydrogen 3.134 N/A HIS 300.A N ASP 297.A OD1 no hydrogen 2.826 N/A LEU 301.A N ASP 297.A O no hydrogen 2.909 N/A SER 302.A N LEU 298.A O no hydrogen 2.935 N/A SER 302.A OG LEU 298.A O no hydrogen 2.981 N/A HIS 303.A N ILE 299.A O no hydrogen 3.049 N/A HIS 303.A ND1 HIS 306.A NE2 no hydrogen 2.877 N/A THR 304.A N HIS 300.A O no hydrogen 2.864 N/A THR 304.A OG1 HIS 300.A O no hydrogen 2.829 N/A HIS 306.A N HIS 303.A O no hydrogen 2.965 N/A HIS 306.A ND1 GLY 307.A O no hydrogen 2.763 N/A HIS 306.A NE2 HIS 303.A ND1 no hydrogen 2.877 N/A GLY 307.A N HIS 303.A O no hydrogen 2.953 N/A THR 310.A N ASP 308.A OD1 no hydrogen 2.972 N/A THR 310.A OG1 ASP 308.A OD1 no hydrogen 2.704 N/A ARG 312.A NH1 ASP 292.A OD1 no hydrogen 2.932 N/A ARG 312.A NH1 ASP 292.A OD2 no hydrogen 3.508 N/A ARG 312.A NH1 ASN 311.A O no hydrogen 2.889 N/A ARG 312.A NH2 ASP 292.A OD2 no hydrogen 2.757 N/A ARG 312.A NH2 THR 304.A O no hydrogen 2.966 N/A TRP 313.A N ASN 319.A OD1 no hydrogen 2.992 N/A PHE 314.A N THR 256.A OG1 no hydrogen 3.173 N/A LYS 316.A N TRP 313.A O no hydrogen 3.033 N/A LYS 316.A NZ SER 187.A O no hydrogen 2.998 N/A LYS 316.A NZ ASP 283.A O no hydrogen 2.908 N/A LYS 316.A NZ ALA 285.A O no hydrogen 2.768 N/A SER 317.A N SER 187.A O no hydrogen 3.059 N/A SER 317.A OG LEU 184.A O no hydrogen 2.662 N/A ASN 319.A N HIS 331.A O no hydrogen 2.758 N/A ASN 319.A ND2 TRP 313.A O no hydrogen 2.876 N/A LEU 320.A N CYS 288.A O no hydrogen 2.794 N/A ILE 321.A N ALA 329.A O no hydrogen 2.839 N/A VAL 322.A N CYS 290.A O no hydrogen 2.937 N/A ALA 323.A N THR 327.A O no hydrogen 2.821 N/A GLU 324.A N PHE 294.A O no hydrogen 3.105 N/A GLY 326.A N ALA 323.A O no hydrogen 2.950 N/A THR 327.A N ASP 325.A OD1 no hydrogen 3.052 N/A THR 327.A OG1 ASP 325.A OD1 no hydrogen 2.718 N/A THR 327.A OG1 ASP 325.A OD2 no hydrogen 3.379 N/A ALA 329.A N ILE 321.A O no hydrogen 2.990 N/A HIS 331.A N ASN 319.A O no hydrogen 2.962 N/A PHE 332.A N PRO 99.A O no hydrogen 3.239 N/A GLU 333.A N SER 317.A O no hydrogen 3.143 N/A HIS 334.A ND1 HIS 334.A O no hydrogen 2.777 N/A SER 335.A N GLU 333.A OE2 no hydrogen 2.966 N/A SER 335.A OG GLU 333.A OE1 no hydrogen 2.711 N/A SER 335.A OG GLU 333.A OE2 no hydrogen 3.011 N/A TRP 336.A NE1 SER 317.A O no hydrogen 2.988 N/A GLY 337.A N HIS 334.A O no hydrogen 3.516 N/A ASP 338.A N GLN 180.A OE1 no hydrogen 2.901 N/A LEU 343.A N GLY 339.A O no hydrogen 2.922 N/A ARG 344.A N VAL 340.A O no hydrogen 2.913 N/A ARG 344.A NE GLU 348.A OE2 no hydrogen 2.851 N/A ARG 344.A NH1 GLU 137.A O no hydrogen 3.013 N/A ARG 344.A NH1 GLU 139.A OE1 no hydrogen 3.164 N/A ARG 344.A NH2 GLN 5.A OE1 no hydrogen 2.919 N/A ARG 344.A NH2 GLU 137.A O no hydrogen 2.920 N/A ARG 344.A NH2 GLU 348.A OE2 no hydrogen 3.395 N/A PHE 345.A N ALA 341.A O no hydrogen 2.980 N/A PHE 346.A N VAL 342.A O no hydrogen 2.850 N/A ASN 347.A N LEU 343.A O no hydrogen 2.889 N/A GLU 348.A N ARG 344.A O no hydrogen 2.966 N/A VAL 349.A N PHE 345.A O no hydrogen 2.851 N/A PHE 350.A N PHE 346.A O no hydrogen 2.887 N/A ARG 351.A N ASN 347.A O no hydrogen 3.081 N/A ARG 351.A NE GLU 348.A OE1 no hydrogen 3.194 N/A ARG 351.A NH2 LEU 4.A O no hydrogen 3.099 N/A ARG 351.A NH2 GLU 348.A OE1 no hydrogen 2.734 N/A ASP 352.A N GLU 348.A O no hydrogen 2.898 N/A SER 353.A N VAL 349.A O no hydrogen 2.858 N/A SER 353.A OG VAL 349.A O no hydrogen 2.750 N/A SER 353.A OG PHE 350.A O no hydrogen 3.431 N/A THR 354.A N PHE 350.A O no hydrogen 3.192 N/A THR 354.A OG1 PHE 350.A O no hydrogen 2.758 N/A THR 354.A OG1 ARG 351.A O no hydrogen 3.406 N/A GLN 355.A N ARG 351.A O no hydrogen 2.898 N/A THR 356.A N ASP 352.A O no hydrogen 2.931 N/A THR 356.A OG1.B ASP 352.A O no hydrogen 3.180 N/A ILE 359.A N ASN 119.A OD1 no hydrogen 2.834 N/A THR 360.A N SER 363.A OG no hydrogen 2.872 N/A THR 360.A OG1 GLN 362.A OE1 no hydrogen 3.457 N/A GLN 362.A N THR 360.A OG1 no hydrogen 2.952 N/A SER 363.A N THR 360.A O no hydrogen 3.055 N/A SER 363.A OG THR 360.A O no hydrogen 3.305 N/A GLN 364.A NE2 GLN 362.A O no hydrogen 2.770 N/A ALA 366.A N LEU 231.A O no hydrogen 2.964 N/A THR 368.A N ALA 366.A O no hydrogen 2.937 N/A SER 370.A N THR 368.A O no hydrogen 3.015 N/A ALA 372.A N ASN 369.A O no hydrogen 2.853 N/A ALA 372.A N ASN 369.A OD1 no hydrogen 3.261 N/A SER 373.A N ASN 369.A O no hydrogen 3.054 N/A SER 373.A OG ASN 369.A O no hydrogen 3.564 N/A VAL 374.A N SER 370.A O no hydrogen 2.815 N/A GLU 375.A N VAL 217.A O no hydrogen 2.903 N/A LEU 377.A N PHE 215.A O no hydrogen 2.880 N/A ASN 380.A N ASN 275.A OD1 no hydrogen 2.833 N/A ASN 380.A ND2 ASP 273.A O no hydrogen 2.872 N/A SER 382.A OG ASP 273.A OD2 no hydrogen 3.412 N/A LEU 385.A N SER 382.A OG no hydrogen 3.137 N/A LYS 386.A N SER 382.A O no hydrogen 2.951 N/A ALA 387.A N GLY 383.A O no hydrogen 2.998 N/A GLY 388.A N ALA 384.A O no hydrogen 2.892 N/A ILE 389.A N LEU 385.A O no hydrogen 2.812 N/A THR 390.A N LYS 386.A O no hydrogen 2.938 N/A THR 390.A OG1 LYS 386.A O no hydrogen 3.133 N/A ALA 391.A N ALA 387.A O no hydrogen 2.897 N/A ALA 392.A N GLY 388.A O no hydrogen 2.833 N/A LYS 393.A N ILE 389.A O no hydrogen 2.854 N/A GLU 394.A N THR 390.A O no hydrogen 3.010 N/A LYS 395.A N ALA 391.A O no hydrogen 3.059 N/A PHE 396.A N ALA 392.A O no hydrogen 2.916 N/A ASP 397.A N LYS 393.A O no hydrogen 2.830 N/A THR 398.A N GLU 394.A O no hydrogen 2.974 N/A THR 398.A OG1 GLU 394.A O no hydrogen 2.836 N/A THR 399.A N LYS 395.A O no hydrogen 2.985 N/A THR 399.A OG1 LYS 395.A O no hydrogen 2.999 N/A VAL 400.A N PHE 396.A O no hydrogen 2.913 N/A LYS 401.A N ASP 397.A O no hydrogen 3.163 N/A THR 402.A N THR 399.A O no hydrogen 2.959 N/A THR 402.A OG1 THR 399.A O no hydrogen 2.662 N/A LEU 403.A N VAL 400.A O no hydrogen 3.040 N/A SER 404.A N SER 584.A O no hydrogen 2.865 N/A SER 404.A OG.B SER 584.A OG.A no hydrogen 2.525 N/A ASP 406.A N VAL 582.A O no hydrogen 3.015 N/A SER 407.A N ASP 406.A OD1 no hydrogen 2.731 N/A ILE 408.A N CYS 580.A O no hydrogen 2.911 N/A GLN 409.A NE2 SER 407.A OG no hydrogen 3.071 N/A PHE 410.A N ILE 578.A O no hydrogen 2.754 N/A ARG 412.A NH1 GLU 602.A OE1 no hydrogen 2.866 N/A ARG 412.A NH1 ASP 606.A OD1 no hydrogen 2.951 N/A ARG 412.A NH2 ASP 606.A OD1 no hydrogen 2.642 N/A ARG 412.A NH2 GLU 609.A OE1 no hydrogen 2.961 N/A LYS 415.A N HIS 574.A O no hydrogen 2.825 N/A GLU 416.A N ASP 575.A O no hydrogen 3.055 N/A LEU 418.A N GLY 414.A O no hydrogen 3.106 N/A LYS 419.A N LYS 415.A O no hydrogen 2.882 N/A LYS 420.A N GLU 416.A O no hydrogen 3.115 N/A LYS 420.A NZ GLU 416.A OE2 no hydrogen 2.887 N/A LYS 421.A N PHE 417.A O no hydrogen 3.162 N/A LYS 421.A NZ LEU 608.A O no hydrogen 3.377 N/A GLN 422.A N LYS 419.A O no hydrogen 2.953 N/A LEU 423.A N LEU 418.A O no hydrogen 3.028 N/A SER 424.A N SER 495.A OG no hydrogen 2.904 N/A ALA 427.A N SER 424.A OG no hydrogen 3.174 N/A VAL 428.A N SER 424.A O no hydrogen 3.056 N/A ALA 429.A N PRO 425.A O no hydrogen 3.019 N/A GLN 430.A N ASP 426.A O no hydrogen 3.043 N/A GLN 430.A NE2 THR 546.A OG1 no hydrogen 2.995 N/A GLN 430.A NE2 TYR 571.A OH no hydrogen 2.868 N/A LEU 431.A N ALA 427.A O no hydrogen 2.852 N/A ALA 432.A N VAL 428.A O no hydrogen 2.933 N/A PHE 433.A N ALA 429.A O no hydrogen 3.123 N/A GLN 434.A N GLN 430.A O no hydrogen 3.135 N/A GLN 434.A NE2 THR 446.A OG1 no hydrogen 2.952 N/A PHE 436.A N PHE 433.A O no hydrogen 2.970 N/A LEU 437.A N GLN 434.A O no hydrogen 2.999 N/A GLN 439.A N ALA 435.A O no hydrogen 2.870 N/A GLN 439.A NE2 ASN 589.A O no hydrogen 3.153 N/A TYR 440.A N PHE 436.A O no hydrogen 2.843 N/A GLY 441.A N LEU 437.A O no hydrogen 2.855 N/A THR 446.A OG1 VAL 444.A O no hydrogen 2.827 N/A TYR 447.A N LEU 544.A O no hydrogen 2.873 N/A GLU 448.A N ILE 463.A O no hydrogen 3.096 N/A CYS 450.A N GLU 461.A O no hydrogen 2.862 N/A CYS 450.A SG SER 451.A O no hydrogen 3.896 N/A CYS 450.A SG THR 502.A O no hydrogen 3.846 N/A THR 452.A N ARG 459.A O no hydrogen 2.884 N/A ALA 453.A N SER 451.A OG no hydrogen 3.022 N/A PHE 455.A N THR 452.A O no hydrogen 3.185 N/A LYS 456.A N PRO 18.A O no hydrogen 2.765 N/A LYS 456.A NZ GLN 14.A O no hydrogen 3.172 N/A HIS 457.A N ASP 178.A OD1 no hydrogen 2.737 N/A HIS 457.A ND1 THR 76.A OG1 no hydrogen 2.844 N/A GLY 458.A N PHE 455.A O no hydrogen 2.839 N/A ARG 459.A N THR 452.A OG1 no hydrogen 2.846 N/A ARG 459.A NE ASP 338.A OD1 no hydrogen 3.162 N/A ARG 459.A NE ASP 338.A OD2 no hydrogen 2.812 N/A ARG 459.A NH1 SER 80.A OG no hydrogen 3.383 N/A ARG 459.A NH2 ASP 338.A OD1 no hydrogen 3.103 N/A GLU 461.A N CYS 450.A O no hydrogen 2.773 N/A THR 462.A N GLU 461.A OE2 no hydrogen 3.023 N/A ILE 463.A N GLU 448.A O no hydrogen 2.698 N/A ARG 464.A NE ASP 511.A OD2 no hydrogen 2.973 N/A ARG 464.A NH1 THR 446.A O no hydrogen 3.071 N/A ARG 464.A NH1 ASN 542.A OD1 no hydrogen 2.858 N/A ARG 464.A NH2 ASP 511.A OD1 no hydrogen 2.922 N/A SER 467.A N THR 470.A OG1 no hydrogen 2.904 N/A THR 470.A N SER 467.A OG no hydrogen 2.936 N/A THR 470.A OG1 PRO 465.A O no hydrogen 3.455 N/A THR 470.A OG1 SER 467.A O no hydrogen 3.208 N/A LYS 471.A N SER 467.A O no hydrogen 2.936 N/A LYS 471.A NZ PRO 37.A O no hydrogen 2.945 N/A ARG 472.A N ILE 468.A O no hydrogen 3.004 N/A CYS 473.A N PHE 469.A O no hydrogen 2.940 N/A SER 474.A N THR 470.A O no hydrogen 2.852 N/A SER 474.A OG THR 470.A O no hydrogen 2.788 N/A GLU 475.A N LYS 471.A O no hydrogen 2.950 N/A ALA 476.A N ARG 472.A O no hydrogen 3.053 N/A PHE 477.A N CYS 473.A O no hydrogen 3.029 N/A VAL 478.A N SER 474.A O no hydrogen 2.891 N/A ARG 479.A N GLU 475.A O no hydrogen 2.867 N/A ASP 480.A N GLU 475.A O no hydrogen 3.168 N/A LYS 483.A N ASP 480.A O no hydrogen 3.013 N/A HIS 484.A ND1 ASP 480.A O no hydrogen 3.162 N/A SER 485.A N GLU 488.A OE1 no hydrogen 3.038 N/A GLU 488.A N SER 485.A OG no hydrogen 3.079 N/A LEU 489.A N SER 485.A O no hydrogen 2.962 N/A GLN 490.A N VAL 486.A O no hydrogen 2.895 N/A GLN 490.A NE2 ALA 607.A O no hydrogen 2.920 N/A HIS 491.A N GLY 487.A O no hydrogen 2.997 N/A GLU 493.A N HIS 491.A O no hydrogen 2.887 N/A CYS 494.A SG PHE 469.A O no hydrogen 3.221 N/A LYS 496.A N ALA 492.A O no hydrogen 2.948 N/A LYS 496.A NZ GLU 493.A OE2 no hydrogen 2.897 N/A TYR 497.A N GLU 493.A O no hydrogen 3.007 N/A HIS 498.A N CYS 494.A O no hydrogen 2.909 N/A HIS 498.A NE2 ASP 426.A OD2 no hydrogen 3.082 N/A GLY 499.A N SER 495.A O no hydrogen 2.915 N/A GLN 500.A N LYS 496.A O no hydrogen 2.943 N/A GLN 500.A NE2 GLU 504.A OE2 no hydrogen 2.784 N/A LEU 501.A N TYR 497.A O no hydrogen 2.953 N/A THR 502.A N HIS 498.A O no hydrogen 2.897 N/A THR 502.A OG1 HIS 498.A O no hydrogen 2.831 N/A LYS 503.A N GLY 499.A O no hydrogen 2.947 N/A GLU 504.A N GLN 500.A O no hydrogen 2.920 N/A ALA 505.A N LEU 501.A O no hydrogen 2.847 N/A ALA 506.A N THR 502.A O no hydrogen 3.107 N/A GLN 508.A N GLU 504.A O no hydrogen 2.853 N/A ARG 512.A N GLU 461.A OE2 no hydrogen 3.231 N/A ARG 512.A NH1 THR 462.A OG1 no hydrogen 2.819 N/A ARG 512.A NH2 TYR 447.A OH no hydrogen 3.027 N/A ARG 512.A NH2 THR 460.A OG1 no hydrogen 3.012 N/A HIS 513.A ND1 THR 28.A OG1 no hydrogen 2.643 N/A HIS 513.A NE2 HIS 63.A ND1 no hydrogen 2.873 N/A LEU 514.A N PHE 510.A O no hydrogen 3.046 N/A TYR 515.A N ASP 511.A O no hydrogen 2.953 N/A TYR 515.A OH PRO 82.A O no hydrogen 2.696 N/A ALA 516.A N ARG 512.A O no hydrogen 2.815 N/A LEU 517.A N HIS 513.A O no hydrogen 3.026 N/A ARG 518.A N LEU 514.A O no hydrogen 3.121 N/A ARG 518.A NE.A TYR 537.A OH no hydrogen 3.446 N/A TYR 519.A N TYR 515.A O no hydrogen 2.835 N/A TYR 519.A OH ASP 85.A OD2 no hydrogen 2.480 N/A LEU 520.A N ALA 516.A O no hydrogen 2.905 N/A ALA 521.A N LEU 517.A O no hydrogen 3.055 N/A THR 522.A N ARG 518.A O no hydrogen 3.036 N/A THR 522.A OG1 ARG 518.A O no hydrogen 3.190 N/A ALA 523.A N TYR 519.A O no hydrogen 2.838 N/A ARG 524.A N LEU 520.A O no hydrogen 2.994 N/A ARG 524.A NE HIS 65.A NE2 no hydrogen 3.517 N/A GLY 525.A N THR 522.A O no hydrogen 2.947 N/A LEU 526.A N ALA 521.A O no hydrogen 2.929 N/A TYR 532.A N PRO 529.A O no hydrogen 2.987 N/A TYR 532.A OH LEU 514.A O no hydrogen 2.705 N/A LEU 533.A N GLU 530.A O no hydrogen 3.041 N/A ASP 534.A N GLU 530.A O no hydrogen 3.252 N/A ALA 536.A N ASP 534.A OD1 no hydrogen 3.098 N/A TYR 537.A N ASP 534.A O no hydrogen 3.004 N/A GLN 538.A N ASP 534.A O no hydrogen 3.339 N/A GLN 538.A NE2 TYR 532.A O no hydrogen 2.183 N/A GLN 538.A NE2 ASP 534.A O no hydrogen 3.196 N/A GLN 539.A N PRO 535.A O no hydrogen 2.834 N/A HIS 541.A N GLN 539.A O no hydrogen 3.191 N/A LEU 544.A N ALA 445.A O no hydrogen 3.179 N/A SER 545.A N PHE 567.A O no hydrogen 3.265 N/A THR 546.A N TYR 447.A O no hydrogen 2.999 N/A THR 546.A OG1 TYR 447.A O no hydrogen 2.827 N/A SER 547.A N ILE 569.A O no hydrogen 2.941 N/A THR 548.A OG1 TYR 571.A O no hydrogen 2.578 N/A SER 551.A OG ASN 347.A OD1 no hydrogen 2.530 N/A ALA 553.A N SER 551.A OG no hydrogen 3.005 N/A VAL 554.A N SER 551.A O no hydrogen 3.225 N/A SER 555.A N ALA 101.A O no hydrogen 2.857 N/A SER 555.A OG.A ALA 101.A O no hydrogen 3.078 N/A SER 555.A OG.A PHE 102.A O no hydrogen 3.214 N/A GLY 558.A N PHE 100.A O no hydrogen 3.092 N/A GLY 566.A N VAL 563.A O no hydrogen 3.091 N/A PHE 567.A N ILE 543.A O no hydrogen 2.783 N/A GLY 568.A N SER 583.A O no hydrogen 3.053 N/A ILE 569.A N SER 545.A O no hydrogen 2.839 N/A ALA 570.A N ASN 581.A O no hydrogen 2.978 N/A TYR 571.A N SER 547.A O no hydrogen 2.956 N/A TYR 571.A OH ASP 426.A OD1 no hydrogen 2.544 N/A ALA 572.A N GLY 579.A O no hydrogen 2.905 N/A HIS 574.A N TRP 577.A O no hydrogen 2.850 N/A ILE 578.A N PHE 410.A O no hydrogen 2.911 N/A GLY 579.A N ALA 572.A O no hydrogen 2.869 N/A CYS 580.A N ILE 408.A O no hydrogen 3.072 N/A ASN 581.A N ALA 570.A O no hydrogen 2.748 N/A ASN 581.A ND2 SER 302.A OG no hydrogen 3.042 N/A ASN 581.A ND2 GLY 557.A O no hydrogen 3.023 N/A VAL 582.A N ASP 406.A O no hydrogen 2.834 N/A SER 583.A N GLY 568.A O no hydrogen 2.952 N/A SER 583.A OG PHE 559.A O no hydrogen 2.657 N/A SER 583.A OG GLY 568.A O no hydrogen 3.295 N/A SER 584.A N SER 404.A O no hydrogen 2.855 N/A SER 584.A OG.A SER 404.A OG.B no hydrogen 2.525 N/A SER 584.A OG.B TYR 585.A O no hydrogen 2.819 N/A ARG 588.A N TYR 585.A O no hydrogen 3.320 N/A ARG 588.A NE ASP 565.A O no hydrogen 2.722 N/A ARG 588.A NH2 ASP 565.A O no hydrogen 3.530 N/A ARG 588.A NH2 ASP 565.A OD2 no hydrogen 3.197 N/A ASN 589.A N TYR 440.A OH no hydrogen 3.122 N/A ARG 591.A NE HIS 595.A NE2 no hydrogen 3.247 N/A GLU 592.A N ASN 589.A OD1 no hydrogen 2.995 N/A PHE 593.A N ASN 589.A O no hydrogen 3.016 N/A LEU 594.A N ALA 590.A O no hydrogen 2.911 N/A HIS 595.A N ARG 591.A O no hydrogen 2.988 N/A CYS 596.A N GLU 592.A O no hydrogen 2.945 N/A CYS 596.A SG GLU 592.A O no hydrogen 3.426 N/A CYS 596.A SG GLU 592.A OE2 no hydrogen 3.443 N/A VAL 597.A N PHE 593.A O no hydrogen 2.800 N/A GLN 598.A N LEU 594.A O no hydrogen 2.992 N/A LYS 599.A N HIS 595.A O no hydrogen 3.082 N/A LYS 599.A NZ ASP 603.A OD1 no hydrogen 2.799 N/A LYS 599.A NZ LYS 614.A O no hydrogen 3.160 N/A CYS 600.A N CYS 596.A O no hydrogen 2.856 N/A CYS 600.A SG CYS 596.A O no hydrogen 3.251 N/A LEU 601.A N VAL 597.A O no hydrogen 2.903 N/A GLU 602.A N GLN 598.A O no hydrogen 2.938 N/A ASP 603.A N LYS 599.A O no hydrogen 2.889 N/A ILE 604.A N CYS 600.A O no hydrogen 2.893 N/A PHE 605.A N LEU 601.A O no hydrogen 2.946 N/A ASP 606.A N GLU 602.A O no hydrogen 2.855 N/A ALA 607.A N ASP 603.A O no hydrogen 2.894 N/A LEU 608.A N ILE 604.A O no hydrogen 2.927 N/A GLU 609.A N PHE 605.A O no hydrogen 2.926 N/A GLY 610.A N ALA 607.A O no hydrogen 3.049 N/A LYS 611.A N ASP 606.A O no hydrogen 2.967 N/A LYS 611.A NZ GLU 609.A OE1 no hydrogen 2.534 N/A