Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3w81_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 4.A N ALA 429.A O no hydrogen 2.951 N/A LEU 5.A N SER 380.A O no hydrogen 2.750 N/A VAL 6.A N THR 431.A O no hydrogen 2.800 N/A HIS 7.A N GLU 378.A O no hydrogen 3.002 N/A VAL 8.A N ARG 433.A O no hydrogen 3.041 N/A ASP 9.A N TRP 376.A O no hydrogen 2.872 N/A ALA 10.A N ARG 435.A O no hydrogen 2.961 N/A ALA 11.A N ASP 9.A OD1 no hydrogen 2.905 N/A ARG 12.A N ASP 9.A O no hydrogen 3.179 N/A LEU 14.A N GLN 374.A O no hydrogen 2.810 N/A TRP 15.A NE1 GLN 374.A OE1 no hydrogen 2.858 N/A LEU 17.A N GLU 372.A O no hydrogen 2.825 N/A ARG 22.A NE ARG 19.A O no hydrogen 3.246 N/A ARG 22.A NH1 ARG 57.A O no hydrogen 2.893 N/A SER 23.A N TRP 21.A O no hydrogen 2.926 N/A SER 23.A OG SER 321.A OG no hydrogen 2.965 N/A THR 24.A N GLN 61.A O no hydrogen 2.881 N/A THR 24.A OG1 ASN 322.A O no hydrogen 3.339 N/A GLY 25.A N THR 24.A OG1 no hydrogen 2.770 N/A PHE 26.A N ARG 63.A O no hydrogen 3.044 N/A CYS 27.A SG PRO 28.A O no hydrogen 3.260 N/A HIS 32.A ND1 ASP 163.A OD1 no hydrogen 3.060 N/A HIS 32.A ND1 ASP 163.A OD2 no hydrogen 2.918 N/A GLN 34.A N PRO 31.A O no hydrogen 2.903 N/A ALA 35.A N HIS 32.A O no hydrogen 3.161 N/A GLN 37.A N GLN 34.A O no hydrogen 3.026 N/A TYR 38.A N ALA 35.A O no hydrogen 2.953 N/A VAL 39.A N ALA 35.A O no hydrogen 2.747 N/A LEU 40.A N ASP 36.A O no hydrogen 2.878 N/A SER 41.A OG TYR 38.A O no hydrogen 3.139 N/A GLN 44.A N SER 41.A OG no hydrogen 3.277 N/A GLN 45.A N SER 41.A O no hydrogen 2.916 N/A GLN 45.A NE2 LEU 40.A O no hydrogen 2.876 N/A LEU 46.A N TRP 42.A O no hydrogen 2.866 N/A ASN 47.A N ASP 43.A O no hydrogen 2.760 N/A LEU 48.A N GLN 44.A O no hydrogen 2.821 N/A ALA 49.A N GLN 45.A O no hydrogen 3.085 N/A TYR 50.A N LEU 46.A O no hydrogen 3.107 N/A VAL 51.A N ASN 47.A O no hydrogen 3.065 N/A GLY 52.A N LEU 48.A O no hydrogen 2.870 N/A ALA 53.A N TYR 50.A O no hydrogen 3.392 N/A HIS 56.A N ASP 544.A OD2 no hydrogen 2.877 N/A GLY 58.A N PRO 55.A O no hydrogen 3.058 N/A LYS 60.A N ARG 22.A O no hydrogen 2.765 N/A GLN 61.A N ARG 22.A O no hydrogen 3.131 N/A GLN 61.A NE2 SER 23.A OG no hydrogen 2.806 N/A VAL 62.A N LEU 101.A O no hydrogen 2.918 N/A ARG 63.A N THR 24.A O no hydrogen 2.807 N/A ARG 63.A NE GLU 152.A OE1 no hydrogen 2.799 N/A ARG 63.A NH1 GLU 273.A OE2 no hydrogen 3.048 N/A ARG 63.A NH2 ASN 155.A OD1 no hydrogen 2.778 N/A THR 64.A N GLY 103.A O no hydrogen 3.377 N/A THR 64.A OG1 VAL 62.A O no hydrogen 2.814 N/A THR 64.A OG1 TYR 91.A OH no hydrogen 2.633 N/A HIS 65.A N PHE 26.A O no hydrogen 3.336 N/A HIS 65.A ND1 GLU 105.A OE1 no hydrogen 2.471 N/A LEU 68.A N MET 107.A O no hydrogen 2.853 N/A GLU 69.A N TRP 66.A O no hydrogen 3.007 N/A LEU 70.A N LEU 67.A O no hydrogen 2.999 N/A THR 72.A N ASN 84.A O no hydrogen 3.198 N/A ARG 74.A N SER 82.A O no hydrogen 2.875 N/A SER 76.A N GLY 80.A O no hydrogen 3.037 N/A THR 77.A OG1 GLU 125.A OE1 no hydrogen 3.526 N/A THR 77.A OG1 GLU 125.A OE2 no hydrogen 2.989 N/A ARG 79.A N SER 76.A OG no hydrogen 3.407 N/A SER 82.A N ARG 74.A O no hydrogen 2.903 N/A ASN 84.A N THR 72.A O no hydrogen 2.814 N/A THR 86.A N ASN 84.A OD1 no hydrogen 2.986 N/A THR 86.A OG1 ASN 84.A OD1 no hydrogen 2.827 N/A ASP 89.A N PHE 85.A O no hydrogen 2.833 N/A GLY 90.A N THR 86.A O no hydrogen 2.946 N/A TYR 91.A N HIS 87.A O no hydrogen 3.086 N/A TYR 91.A OH THR 64.A OG1 no hydrogen 2.633 N/A LEU 92.A N LEU 88.A O no hydrogen 2.917 N/A ASP 93.A N ASP 89.A O no hydrogen 2.790 N/A LEU 94.A N GLY 90.A O no hydrogen 2.971 N/A LEU 95.A N TYR 91.A O no hydrogen 2.962 N/A ARG 96.A N LEU 92.A O no hydrogen 2.963 N/A GLU 97.A N ASP 93.A O no hydrogen 2.740 N/A ASN 98.A N LEU 94.A O no hydrogen 3.305 N/A ASN 98.A N LEU 95.A O no hydrogen 2.895 N/A ASN 98.A ND2 LEU 94.A O no hydrogen 2.941 N/A GLN 99.A N ARG 96.A O no hydrogen 2.873 N/A GLN 99.A NE2 SER 543.A OG no hydrogen 2.613 N/A LEU 100.A N LEU 95.A O no hydrogen 2.842 N/A LEU 101.A N LYS 60.A O no hydrogen 2.756 N/A GLY 103.A N VAL 62.A O no hydrogen 3.048 N/A PHE 104.A N ASN 150.A O no hydrogen 2.981 N/A GLU 105.A N GLY 103.A O no hydrogen 3.022 N/A LEU 106.A N GLU 152.A O no hydrogen 2.772 N/A SER 109.A N GLU 69.A OE2 no hydrogen 2.686 N/A SER 109.A OG GLU 69.A OE2 no hydrogen 2.688 N/A ALA 110.A N LEU 68.A O no hydrogen 2.979 N/A SER 111.A OG ALA 110.A O no hydrogen 2.951 N/A GLY 112.A N SER 109.A OG no hydrogen 2.803 N/A HIS 113.A N ALA 110.A O no hydrogen 3.133 N/A HIS 113.A NE2 GLU 125.A OE1 no hydrogen 2.742 N/A PHE 114.A N SER 109.A O no hydrogen 3.126 N/A THR 115.A N GLN 122.A OE1 no hydrogen 2.813 N/A ASP 116.A N GLN 122.A OE1 no hydrogen 2.978 N/A PHE 117.A N SER 166.A O no hydrogen 3.069 N/A GLU 118.A N ASP 116.A OD2 no hydrogen 2.910 N/A ASP 119.A N ASP 116.A O no hydrogen 3.097 N/A GLN 122.A N ASP 119.A OD1 no hydrogen 3.112 N/A GLN 122.A NE2 THR 115.A OG1 no hydrogen 2.697 N/A VAL 123.A N ASP 119.A O no hydrogen 3.066 N/A PHE 124.A N LYS 120.A O no hydrogen 3.168 N/A GLU 125.A N GLN 121.A O no hydrogen 3.016 N/A TRP 126.A N GLN 122.A O no hydrogen 2.908 N/A LYS 127.A N VAL 123.A O no hydrogen 3.195 N/A ASP 128.A N PHE 124.A O no hydrogen 3.263 N/A LEU 129.A N GLU 125.A O no hydrogen 2.798 N/A VAL 130.A N TRP 126.A O no hydrogen 2.883 N/A SER 131.A N LYS 127.A O no hydrogen 3.044 N/A SER 131.A OG LYS 127.A O no hydrogen 3.287 N/A SER 131.A OG GLY 182.A O no hydrogen 2.640 N/A SER 132.A N ASP 128.A O no hydrogen 2.833 N/A SER 132.A OG ASP 128.A O no hydrogen 2.811 N/A LEU 133.A N LEU 129.A O no hydrogen 2.928 N/A ALA 134.A N VAL 130.A O no hydrogen 3.017 N/A ARG 135.A N SER 131.A O no hydrogen 2.928 N/A ARG 136.A N SER 132.A O no hydrogen 2.911 N/A ARG 136.A NE ASP 89.A OD1 no hydrogen 2.946 N/A ARG 136.A NH2 ASP 89.A OD2 no hydrogen 2.686 N/A TYR 137.A N LEU 133.A O no hydrogen 3.004 N/A TYR 137.A OH ASP 89.A OD1 no hydrogen 2.650 N/A ILE 138.A N ALA 134.A O no hydrogen 2.761 N/A GLY 139.A N ARG 135.A O no hydrogen 2.944 N/A ARG 140.A N ARG 136.A O no hydrogen 2.784 N/A ARG 140.A NE ASP 93.A OD1 no hydrogen 2.989 N/A ARG 140.A NH2 ASP 93.A OD2 no hydrogen 2.773 N/A TYR 141.A N TYR 137.A O no hydrogen 2.914 N/A TYR 141.A OH ASP 93.A OD1 no hydrogen 2.489 N/A GLY 142.A N ILE 138.A O no hydrogen 2.730 N/A VAL 146.A N GLY 142.A O no hydrogen 3.155 N/A SER 147.A N LEU 143.A O no hydrogen 3.003 N/A SER 147.A OG LEU 143.A O no hydrogen 2.896 N/A SER 147.A OG ALA 144.A O no hydrogen 2.963 N/A LYS 148.A N HIS 145.A O no hydrogen 2.891 N/A TRP 149.A N VAL 146.A O no hydrogen 3.027 N/A PHE 151.A N TRP 149.A O no hydrogen 3.077 N/A PHE 151.A N ARG 191.A O no hydrogen 3.262 N/A GLU 152.A N PHE 104.A O no hydrogen 2.924 N/A THR 153.A N GLY 193.A O no hydrogen 3.162 N/A THR 153.A OG1 TRP 154.A O no hydrogen 3.397 N/A THR 153.A OG1 PRO 195.A O no hydrogen 3.025 N/A TRP 154.A N TYR 175.A OH no hydrogen 2.854 N/A TRP 154.A NE1 ASP 161.A O no hydrogen 3.161 N/A GLU 156.A N GLY 196.A O no hydrogen 2.943 N/A ASP 158.A N ASP 197.A OD1 no hydrogen 2.902 N/A HIS 159.A N GLU 156.A O no hydrogen 2.839 N/A HIS 159.A ND1 ASP 197.A OD1 no hydrogen 3.030 N/A HIS 160.A N PRO 157.A O no hydrogen 3.501 N/A VAL 165.A N PHE 162.A O no hydrogen 2.803 N/A SER 166.A N THR 115.A O no hydrogen 2.671 N/A THR 168.A OG1 GLU 118.A OE1 no hydrogen 2.693 N/A GLN 170.A NE2 ASN 174.A OD1 no hydrogen 2.738 N/A GLY 171.A N THR 168.A OG1 no hydrogen 2.808 N/A PHE 172.A N THR 168.A O no hydrogen 2.767 N/A LEU 173.A N MET 169.A O no hydrogen 3.431 N/A ASN 174.A N GLN 170.A O no hydrogen 2.997 N/A ASN 174.A ND2 PHE 117.A O no hydrogen 3.108 N/A TYR 175.A N GLY 171.A O no hydrogen 2.761 N/A TYR 175.A OH LEU 106.A O no hydrogen 2.417 N/A TYR 176.A N PHE 172.A O no hydrogen 2.812 N/A TYR 176.A OH ARG 229.A O no hydrogen 2.707 N/A ASP 177.A N LEU 173.A O no hydrogen 3.032 N/A ALA 178.A N ASN 174.A O no hydrogen 2.916 N/A CYS 179.A N TYR 175.A O no hydrogen 2.936 N/A CYS 179.A SG TYR 175.A O no hydrogen 3.341 N/A SER 180.A N TYR 176.A O no hydrogen 2.932 N/A GLU 181.A N ASP 177.A O no hydrogen 2.802 N/A GLY 182.A N ALA 178.A O no hydrogen 2.669 N/A LEU 183.A N CYS 179.A O no hydrogen 2.899 N/A ARG 184.A N SER 180.A O no hydrogen 3.004 N/A ALA 185.A N GLU 181.A O no hydrogen 2.840 N/A SER 187.A N LEU 183.A O no hydrogen 2.923 N/A ALA 189.A N SER 187.A OG no hydrogen 3.004 N/A LEU 192.A N ASP 231.A OD2 no hydrogen 2.789 N/A GLY 193.A N PHE 151.A O no hydrogen 3.232 N/A GLY 194.A N TYR 232.A O no hydrogen 3.386 N/A GLY 196.A N SER 234.A O no hydrogen 2.807 N/A SER 198.A N ASP 197.A OD2 no hydrogen 2.543 N/A SER 198.A OG ASP 197.A OD2 no hydrogen 3.332 N/A HIS 200.A N SER 205.A OG no hydrogen 2.747 N/A ARG 204.A N THR 201.A O no hydrogen 2.901 N/A LEU 207.A N ASP 158.A OD1 no hydrogen 2.835 N/A SER 208.A N ASP 158.A OD2 no hydrogen 2.884 N/A SER 208.A OG ASP 158.A OD2 no hydrogen 2.729 N/A TRP 209.A N SER 205.A O no hydrogen 3.166 N/A TRP 209.A NE1 HIS 200.A O no hydrogen 2.709 N/A GLY 210.A N PRO 206.A O no hydrogen 2.556 N/A LEU 211.A N LEU 207.A O no hydrogen 2.862 N/A LEU 212.A N SER 208.A O no hydrogen 3.330 N/A ARG 213.A N TRP 209.A O no hydrogen 2.940 N/A HIS 214.A N GLY 210.A O no hydrogen 2.714 N/A HIS 214.A NE2 ASP 177.A OD1 no hydrogen 2.600 N/A CYS 215.A N LEU 211.A O no hydrogen 2.911 N/A CYS 215.A SG LEU 211.A O no hydrogen 3.347 N/A HIS 216.A N LEU 212.A O no hydrogen 2.860 N/A HIS 216.A ND1 ASP 217.A OD1 no hydrogen 2.739 N/A ASP 217.A N ARG 213.A O no hydrogen 2.764 N/A GLY 218.A N ARG 213.A O no hydrogen 3.328 N/A GLY 218.A N HIS 214.A O no hydrogen 2.761 N/A ASN 220.A N GLU 225.A O no hydrogen 2.841 N/A ASN 220.A ND2 GLU 181.A OE1 no hydrogen 2.973 N/A PHE 221.A N ASP 177.A OD2 no hydrogen 2.922 N/A PHE 222.A N ASN 220.A OD1 no hydrogen 2.716 N/A THR 223.A N ASN 220.A OD1 no hydrogen 3.126 N/A GLY 224.A N ASN 220.A O no hydrogen 2.695 N/A GLU 225.A N THR 223.A OG1 no hydrogen 3.165 N/A GLY 227.A N GLY 218.A O no hydrogen 2.725 N/A VAL 228.A N CYS 215.A O no hydrogen 2.951 N/A ARG 229.A NE SER 180.A OG no hydrogen 2.829 N/A ARG 229.A NH1 LEU 190.A O no hydrogen 2.848 N/A ARG 229.A NH1 ASP 231.A OD2 no hydrogen 2.735 N/A ARG 229.A NH2 SER 180.A O no hydrogen 3.105 N/A ASP 231.A N LEU 192.A O no hydrogen 2.763 N/A TYR 232.A OH PHE 151.A O no hydrogen 2.517 N/A ILE 233.A N PRO 268.A O no hydrogen 2.920 N/A SER 234.A N GLY 194.A O no hydrogen 2.928 N/A SER 234.A OG GLU 152.A OE2 no hydrogen 2.686 N/A LEU 235.A N TYR 270.A O no hydrogen 2.780 N/A HIS 236.A N ASP 197.A O no hydrogen 2.987 N/A HIS 236.A ND1 GLU 156.A OE2 no hydrogen 2.891 N/A ARG 237.A N ASN 271.A OD1 no hydrogen 3.357 N/A ARG 237.A NE SER 198.A O no hydrogen 2.797 N/A ARG 237.A NH1 GLN 249.A OE1 no hydrogen 2.654 N/A ARG 237.A NH2 SER 198.A O no hydrogen 3.133 N/A ARG 237.A NH2 PHE 199.A O no hydrogen 3.245 N/A LYS 238.A NZ GLU 273.A OE1 no hydrogen 2.765 N/A LYS 238.A NZ ASP 275.A OD2 no hydrogen 2.836 N/A GLY 239.A N ASP 275.A O no hydrogen 2.943 N/A ARG 241.A N PRO 276.A O no hydrogen 2.819 N/A ARG 241.A NH2 GLN 284.A OE1 no hydrogen 3.008 N/A SER 242.A N GLY 239.A O no hydrogen 2.827 N/A SER 243.A N ASP 419.A OD1 no hydrogen 3.074 N/A SER 243.A OG ASP 419.A OD1 no hydrogen 3.324 N/A SER 243.A OG ASP 419.A OD2 no hydrogen 2.613 N/A SER 245.A N SER 242.A OG no hydrogen 3.115 N/A ILE 246.A N SER 243.A O no hydrogen 3.235 N/A GLU 248.A N ILE 244.A O no hydrogen 3.043 N/A GLN 249.A N SER 245.A O no hydrogen 2.911 N/A GLN 249.A NE2 LYS 238.A O no hydrogen 2.912 N/A GLN 249.A NE2 SER 245.A O no hydrogen 3.144 N/A GLN 249.A NE2 SER 245.A OG no hydrogen 3.050 N/A GLU 250.A N ILE 246.A O no hydrogen 2.985 N/A LYS 251.A N LEU 247.A O no hydrogen 2.876 N/A VAL 252.A N GLU 248.A O no hydrogen 3.231 N/A VAL 253.A N GLN 249.A O no hydrogen 3.172 N/A ALA 254.A N GLU 250.A O no hydrogen 2.839 N/A GLN 255.A N LYS 251.A O no hydrogen 2.983 N/A GLN 255.A NE2 GLN 259.A OE1 no hydrogen 2.602 N/A GLN 256.A N VAL 252.A O no hydrogen 3.121 N/A GLN 256.A NE2 VAL 252.A O no hydrogen 3.329 N/A ILE 257.A N VAL 253.A O no hydrogen 2.995 N/A ARG 258.A N ALA 254.A O no hydrogen 2.911 N/A ARG 258.A NH1 SER 313.A O no hydrogen 2.745 N/A ARG 258.A NH2 SER 313.A O no hydrogen 2.940 N/A ARG 258.A NH2 ALA 314.A O no hydrogen 3.413 N/A GLN 259.A N GLN 255.A O no hydrogen 2.974 N/A LEU 260.A N GLN 256.A O no hydrogen 3.054 N/A PHE 261.A N ILE 257.A O no hydrogen 2.894 N/A LYS 263.A N HIS 216.A NE2 no hydrogen 3.262 N/A PHE 264.A N PHE 261.A O no hydrogen 2.830 N/A ALA 265.A N PRO 262.A O no hydrogen 3.071 N/A THR 267.A N PHE 264.A O no hydrogen 3.045 N/A ILE 269.A N PRO 316.A O no hydrogen 2.853 N/A TYR 270.A N ILE 233.A O no hydrogen 2.785 N/A ASN 271.A N LEU 319.A O no hydrogen 2.894 N/A ASN 271.A ND2 ARG 237.A O no hydrogen 3.139 N/A ASN 271.A ND2 GLU 250.A OE2 no hydrogen 2.693 N/A ASP 272.A N LEU 235.A O no hydrogen 3.141 N/A GLU 273.A N ASN 271.A OD1 no hydrogen 3.266 N/A ALA 274.A N SER 321.A O no hydrogen 2.863 N/A LEU 282.A N GLY 279.A O no hydrogen 3.229 N/A GLN 284.A N ALA 335.A O no hydrogen 2.946 N/A GLN 284.A NE2 PRO 283.A O no hydrogen 2.773 N/A TRP 286.A NE1 GLN 284.A OE1 no hydrogen 3.127 N/A ARG 287.A N GLN 284.A O no hydrogen 3.118 N/A ARG 287.A NH1 GLY 279.A O no hydrogen 2.918 N/A ARG 287.A NH1 LEU 282.A O no hydrogen 2.785 N/A ARG 287.A NH2 GLY 279.A O no hydrogen 3.306 N/A ALA 288.A N PRO 285.A O no hydrogen 3.104 N/A VAL 290.A N ASN 452.A OD1 no hydrogen 2.876 N/A THR 291.A N ASP 289.A OD1 no hydrogen 2.904 N/A THR 291.A OG1 ASP 289.A OD1 no hydrogen 3.111 N/A TYR 292.A N TRP 286.A O no hydrogen 3.059 N/A ALA 293.A N ASP 289.A O no hydrogen 3.503 N/A ALA 294.A N VAL 290.A O no hydrogen 2.770 N/A MET 295.A N THR 291.A O no hydrogen 3.104 N/A VAL 296.A N TYR 292.A O no hydrogen 2.874 N/A VAL 297.A N ALA 293.A O no hydrogen 3.167 N/A LYS 298.A N ALA 294.A O no hydrogen 2.921 N/A LYS 298.A NZ SER 417.A O no hydrogen 2.826 N/A LYS 298.A NZ ASP 419.A OD2 no hydrogen 2.932 N/A VAL 299.A N MET 295.A O no hydrogen 2.804 N/A ILE 300.A N VAL 296.A O no hydrogen 3.225 N/A ALA 301.A N VAL 297.A O no hydrogen 2.817 N/A GLN 302.A N LYS 298.A O no hydrogen 3.009 N/A GLN 302.A NE2 SER 243.A OG no hydrogen 3.196 N/A GLN 302.A NE2 SER 388.A O no hydrogen 3.343 N/A HIS 303.A N VAL 299.A O no hydrogen 3.093 N/A HIS 303.A ND1 VAL 299.A O no hydrogen 2.703 N/A HIS 303.A NE2 GLU 250.A OE1 no hydrogen 2.514 N/A GLN 304.A N ILE 300.A O no hydrogen 2.883 N/A GLN 304.A NE2 GLN 374.A OE1 no hydrogen 2.760 N/A ASN 305.A N ALA 301.A O no hydrogen 2.811 N/A ASN 305.A ND2 SER 388.A OG no hydrogen 2.776 N/A ASN 305.A ND2 VAL 394.A O no hydrogen 3.327 N/A LEU 306.A N GLN 302.A O no hydrogen 2.874 N/A LEU 307.A N HIS 303.A O no hydrogen 3.124 N/A LEU 308.A N HIS 303.A O no hydrogen 2.897 N/A THR 311.A OG1 LEU 307.A O no hydrogen 3.179 N/A THR 311.A OG1 ASN 310.A O no hydrogen 2.061 N/A TYR 317.A N PHE 315.A O no hydrogen 2.756 N/A TYR 317.A OH GLU 250.A OE2 no hydrogen 2.812 N/A ALA 318.A N ILE 269.A O no hydrogen 2.823 N/A LEU 320.A N PHE 20.A O no hydrogen 2.957 N/A SER 321.A N ASN 271.A O no hydrogen 2.913 N/A SER 321.A OG SER 23.A OG no hydrogen 2.965 N/A ASP 323.A N ASP 275.A OD1 no hydrogen 2.761 N/A ASN 324.A N THR 24.A OG1 no hydrogen 3.341 N/A ASN 324.A ND2 THR 24.A OG1 no hydrogen 2.735 N/A ALA 325.A N GLY 25.A O no hydrogen 2.898 N/A LEU 327.A N TYR 38.A OH no hydrogen 3.159 N/A SER 328.A OG PRO 333.A O no hydrogen 2.645 N/A TYR 329.A N GLN 336.A OE1 no hydrogen 2.843 N/A HIS 332.A N TYR 329.A O no hydrogen 2.613 N/A GLN 336.A NE2 SER 281.A O no hydrogen 2.861 N/A ARG 337.A N TRP 280.A O no hydrogen 2.991 N/A ARG 337.A NE ASP 323.A O no hydrogen 3.302 N/A ARG 337.A NH1 LEU 277.A O no hydrogen 2.781 N/A ARG 337.A NH2 ASP 323.A O no hydrogen 3.228 N/A THR 338.A OG1 THR 340.A O no hydrogen 2.680 N/A LEU 339.A N ASN 324.A O no hydrogen 2.810 N/A ALA 341.A N LEU 356.A O no hydrogen 2.845 N/A ARG 342.A N SER 328.A OG no hydrogen 3.041 N/A ARG 342.A NE SER 328.A O no hydrogen 2.852 N/A ARG 342.A NH1 ASP 43.A OD2 no hydrogen 2.886 N/A ARG 342.A NH2 SER 328.A O no hydrogen 2.960 N/A PHE 343.A N GLN 354.A O no hydrogen 2.892 N/A VAL 345.A N HIS 352.A O no hydrogen 2.909 N/A THR 348.A OG1 PRO 350.A O no hydrogen 2.590 N/A THR 348.A OG1 HIS 352.A ND1 no hydrogen 2.908 N/A HIS 352.A N VAL 345.A O no hydrogen 3.015 N/A HIS 352.A ND1 THR 348.A OG1 no hydrogen 2.908 N/A GLN 354.A N PHE 343.A O no hydrogen 3.016 N/A GLN 354.A NE2 HIS 352.A NE2 no hydrogen 3.272 N/A LEU 356.A N ALA 341.A O no hydrogen 2.940 N/A ARG 357.A N GLU 482.A OE2 no hydrogen 2.859 N/A ARG 357.A NH1 THR 362.A OG1 no hydrogen 2.984 N/A ARG 357.A NH1 ASP 483.A OD1 no hydrogen 3.174 N/A ARG 357.A NH2 ASP 483.A OD1 no hydrogen 2.926 N/A LYS 358.A N LEU 339.A O no hydrogen 3.141 N/A LYS 358.A NZ ARG 287.A O no hydrogen 2.885 N/A LYS 358.A NZ PHE 334.A O no hydrogen 3.003 N/A LYS 358.A NZ THR 338.A O no hydrogen 2.900 N/A THR 362.A N LYS 358.A O no hydrogen 3.115 N/A THR 362.A OG1 GLU 482.A O no hydrogen 3.144 N/A ALA 363.A N PRO 359.A O no hydrogen 2.773 N/A MET 364.A N VAL 360.A O no hydrogen 3.261 N/A MET 364.A N LEU 361.A O no hydrogen 2.992 N/A GLY 365.A N THR 362.A O no hydrogen 2.868 N/A LEU 367.A N ALA 363.A O no hydrogen 3.035 N/A ALA 368.A N MET 364.A O no hydrogen 3.069 N/A LEU 369.A N LEU 366.A O no hydrogen 3.120 N/A LEU 370.A N LEU 367.A O no hydrogen 3.039 N/A ASP 371.A N SER 397.A OG no hydrogen 2.810 N/A GLU 372.A N GLU 372.A OE2 no hydrogen 2.748 N/A GLU 373.A N ALA 398.A O no hydrogen 3.189 N/A GLN 374.A N TRP 15.A O no hydrogen 2.910 N/A GLN 374.A NE2 ASN 305.A OD1 no hydrogen 2.784 N/A LEU 375.A N ALA 396.A O no hydrogen 2.834 N/A TRP 376.A N ARG 12.A O no hydrogen 3.259 N/A GLU 378.A N HIS 7.A O no hydrogen 2.886 N/A SER 380.A N LEU 5.A O no hydrogen 2.968 N/A GLN 381.A N THR 384.A O no hydrogen 3.014 N/A GLN 381.A NE2 GLU 1.A OE1 no hydrogen 3.038 N/A GLN 381.A NE2 ALA 2.A O no hydrogen 3.212 N/A LEU 386.A N VAL 379.A O no hydrogen 2.791 N/A ASN 389.A N ASP 387.A OD1 no hydrogen 2.863 N/A HIS 390.A ND1 ASP 387.A O no hydrogen 2.667 N/A GLY 393.A N TYR 415.A O no hydrogen 3.219 N/A LEU 395.A N LEU 413.A O no hydrogen 2.823 N/A SER 397.A N ALA 411.A O no hydrogen 2.798 N/A ALA 398.A N GLU 373.A O no hydrogen 2.930 N/A HIS 399.A N ARG 409.A O no hydrogen 2.923 N/A HIS 399.A ND1 GLU 372.A OE2 no hydrogen 2.810 N/A HIS 399.A NE2 ASP 406.A OD2 no hydrogen 2.801 N/A ARG 400.A N GLU 372.A OE1 no hydrogen 3.017 N/A GLN 402.A N ASP 406.A OD2 no hydrogen 3.017 N/A ASP 406.A N GLY 403.A O no hydrogen 3.163 N/A ALA 407.A N ASP 406.A OD1 no hydrogen 2.873 N/A ARG 409.A NE ASP 371.A OD2 no hydrogen 2.840 N/A ARG 409.A NH2 ASP 371.A OD1 no hydrogen 2.739 N/A ARG 409.A NH2 ASP 371.A OD2 no hydrogen 3.223 N/A ALA 410.A N VAL 514.A O no hydrogen 2.912 N/A ALA 411.A N SER 397.A O no hydrogen 2.974 N/A VAL 412.A N VAL 512.A O no hydrogen 2.977 N/A LEU 413.A N LEU 395.A O no hydrogen 2.777 N/A ILE 414.A N LEU 510.A O no hydrogen 2.851 N/A TYR 415.A N GLY 393.A O no hydrogen 3.020 N/A TYR 415.A OH SER 388.A O no hydrogen 2.872 N/A ALA 416.A N SER 508.A O no hydrogen 2.987 N/A SER 417.A N THR 391.A O no hydrogen 2.633 N/A ASP 419.A N SER 417.A OG no hydrogen 3.142 N/A ARG 421.A N ASP 418.A O no hydrogen 3.113 N/A ARG 421.A NE ASP 418.A OD1 no hydrogen 3.052 N/A ARG 421.A NH2 ASP 418.A OD2 no hydrogen 3.156 N/A HIS 423.A N LEU 506.A O no hydrogen 2.737 N/A HIS 423.A NE2 ASP 418.A OD1 no hydrogen 2.654 N/A ARG 426.A N HIS 423.A O no hydrogen 3.012 N/A VAL 428.A N LEU 504.A O no hydrogen 2.766 N/A VAL 430.A N PRO 502.A O no hydrogen 3.131 N/A THR 431.A N HIS 4.A O no hydrogen 2.921 N/A LEU 432.A N LEU 500.A O no hydrogen 2.809 N/A ARG 433.A N VAL 6.A O no hydrogen 2.908 N/A LEU 434.A N LEU 498.A O no hydrogen 2.757 N/A ARG 435.A N VAL 8.A O no hydrogen 3.057 N/A VAL 437.A N GLY 496.A O no hydrogen 3.150 N/A VAL 444.A N CYS 515.A O no hydrogen 2.868 N/A TYR 445.A N ARG 490.A O no hydrogen 2.863 N/A VAL 446.A N HIS 513.A O no hydrogen 2.834 N/A ARG 448.A N LEU 511.A O no hydrogen 2.829 N/A ARG 448.A NH1 TYR 599.A OH no hydrogen 2.888 N/A ARG 448.A NH2 LEU 552.A O no hydrogen 2.838 N/A TYR 449.A N VAL 485.A O no hydrogen 2.996 N/A TYR 449.A OH ASP 451.A OD1 no hydrogen 2.662 N/A LEU 450.A N LEU 509.A O no hydrogen 2.915 N/A ASN 452.A ND2 THR 291.A OG1 no hydrogen 3.397 N/A GLY 453.A N ASP 451.A OD2 no hydrogen 2.874 N/A LEU 454.A N ASP 451.A OD2 no hydrogen 2.972 N/A CYS 455.A N ASP 451.A O no hydrogen 3.017 N/A CYS 455.A SG TYR 449.A O no hydrogen 3.444 N/A CYS 455.A SG ASP 483.A O no hydrogen 3.466 N/A GLY 459.A N SER 456.A OG no hydrogen 2.954 N/A GLU 460.A N SER 456.A O no hydrogen 2.973 N/A TRP 461.A N PRO 457.A O no hydrogen 2.705 N/A TRP 461.A NE1 PRO 467.A O no hydrogen 2.892 N/A ARG 462.A N ASP 458.A O no hydrogen 2.759 N/A ARG 462.A NE ASP 458.A OD2 no hydrogen 2.817 N/A ARG 462.A NH2 ASP 458.A OD2 no hydrogen 2.993 N/A ARG 463.A N GLY 459.A O no hydrogen 2.927 N/A LEU 464.A N GLU 460.A O no hydrogen 3.102 N/A LEU 464.A N TRP 461.A O no hydrogen 3.259 N/A GLY 465.A N ARG 462.A O no hydrogen 2.788 N/A ARG 466.A N TRP 461.A O no hydrogen 2.934 N/A THR 471.A N GLN 474.A OE1 no hydrogen 2.749 N/A GLN 474.A N THR 471.A OG1 no hydrogen 3.035 N/A PHE 475.A N THR 471.A O no hydrogen 2.837 N/A ARG 476.A N ALA 472.A O no hydrogen 3.012 N/A ARG 476.A NE SER 582.A O no hydrogen 2.674 N/A ARG 476.A NE SER 582.A OG no hydrogen 3.374 N/A ARG 476.A NH2 SER 582.A O no hydrogen 3.206 N/A ARG 476.A NH2 SER 582.A OG no hydrogen 3.100 N/A ARG 477.A N GLU 473.A O no hydrogen 3.123 N/A ARG 477.A NH1 ARG 477.A O no hydrogen 3.090 N/A MET 478.A N GLN 474.A O no hydrogen 3.027 N/A ARG 479.A N PHE 475.A O no hydrogen 2.942 N/A ARG 479.A NH1 GLN 354.A OE1 no hydrogen 3.401 N/A ARG 479.A NH2 GLN 354.A OE1 no hydrogen 2.650 N/A ARG 479.A NH2 LEU 355.A O no hydrogen 3.002 N/A ALA 480.A N ARG 476.A O no hydrogen 3.048 N/A ALA 481.A N MET 478.A O no hydrogen 3.208 N/A GLU 482.A N ARG 479.A O no hydrogen 2.953 N/A VAL 485.A N TYR 449.A O no hydrogen 2.811 N/A ALA 487.A N THR 447.A O no hydrogen 3.051 N/A ARG 490.A N TYR 445.A O no hydrogen 2.996 N/A LEU 492.A N LEU 443.A O no hydrogen 3.027 N/A LEU 498.A N LEU 434.A O no hydrogen 2.876 N/A LEU 500.A N LEU 432.A O no hydrogen 2.811 N/A LEU 504.A N VAL 428.A O no hydrogen 2.828 N/A ARG 505.A N TYR 449.A OH no hydrogen 3.261 N/A SER 508.A N ALA 416.A O no hydrogen 3.096 N/A SER 508.A OG ARG 505.A O no hydrogen 2.939 N/A LEU 509.A N LEU 450.A O no hydrogen 2.922 N/A LEU 510.A N ILE 414.A O no hydrogen 2.897 N/A LEU 511.A N ARG 448.A O no hydrogen 2.796 N/A VAL 512.A N VAL 412.A O no hydrogen 2.785 N/A HIS 513.A N VAL 446.A O no hydrogen 2.693 N/A HIS 513.A ND1 TYR 599.A OH no hydrogen 2.642 N/A VAL 514.A N ALA 410.A O no hydrogen 2.986 N/A CYS 515.A N VAL 444.A O no hydrogen 2.780 N/A ALA 516.A N TRP 408.A O no hydrogen 3.050 N/A ARG 517.A N PRO 441.A O no hydrogen 2.865 N/A LYS 520.A N PRO 404.A O no hydrogen 2.670 N/A GLY 523.A N VAL 547.A O no hydrogen 2.804 N/A GLN 524.A NE2 PHE 606.A O no hydrogen 2.761 N/A THR 526.A N SER 543.A O no hydrogen 3.284 N/A THR 526.A OG1 GLU 545.A OE1 no hydrogen 2.976 N/A ARG 527.A NH2 GLU 545.A OE2 no hydrogen 3.031 N/A ARG 529.A N VAL 541.A O no hydrogen 2.791 N/A LEU 531.A N VAL 539.A O no hydrogen 2.834 N/A LEU 533.A N GLN 537.A O no hydrogen 2.910 N/A THR 534.A OG1 HIS 352.A ND1 no hydrogen 3.417 N/A GLY 536.A N GLU 614.A OE2 no hydrogen 2.783 N/A GLN 537.A N THR 534.A O no hydrogen 2.944 N/A LEU 538.A N PHE 581.A O no hydrogen 3.125 N/A VAL 539.A N LEU 531.A O no hydrogen 2.932 N/A LEU 540.A N PHE 579.A O no hydrogen 2.859 N/A VAL 541.A N ARG 529.A O no hydrogen 2.945 N/A TRP 542.A N ASN 577.A O no hydrogen 3.051 N/A SER 543.A N THR 526.A O no hydrogen 2.749 N/A GLU 545.A N SER 543.A OG no hydrogen 3.030 N/A VAL 547.A N ASP 544.A O no hydrogen 3.019 N/A LYS 550.A NZ ALA 368.A O no hydrogen 2.922 N/A LYS 550.A NZ ASP 371.A OD1 no hydrogen 2.824 N/A CYS 551.A N SER 549.A OG no hydrogen 3.251 N/A CYS 551.A SG SER 549.A OG no hydrogen 3.634 N/A LEU 552.A N LYS 550.A O no hydrogen 2.872 N/A TRP 553.A N LEU 597.A O no hydrogen 2.827 N/A THR 554.A N LEU 597.A O no hydrogen 3.478 N/A THR 554.A OG1 TYR 555.A O no hydrogen 3.553 N/A THR 554.A OG1 SER 574.A O no hydrogen 3.311 N/A GLU 556.A N ARG 595.A O no hydrogen 2.766 N/A GLN 558.A N ARG 593.A O no hydrogen 2.832 N/A GLN 558.A NE2 GLU 556.A OE2 no hydrogen 2.815 N/A PHE 559.A N THR 567.A O no hydrogen 2.889 N/A SER 560.A N SER 591.A O no hydrogen 2.815 N/A SER 560.A OG LYS 564.A O no hydrogen 2.626 N/A THR 567.A N PHE 559.A O no hydrogen 2.827 N/A THR 567.A OG1 ALA 565.A O no hydrogen 3.341 N/A VAL 569.A N ILE 557.A O no hydrogen 2.684 N/A ARG 571.A NH2 TYR 555.A O no hydrogen 2.817 N/A SER 574.A N THR 554.A OG1 no hydrogen 3.103 N/A SER 574.A OG ASP 483.A OD1 no hydrogen 2.811 N/A PHE 576.A N SER 574.A OG no hydrogen 3.181 N/A ASN 577.A N ALA 53.A O no hydrogen 2.861 N/A PHE 579.A N LEU 540.A O no hydrogen 2.813 N/A PHE 581.A N LEU 538.A O no hydrogen 2.746 N/A GLY 586.A N PRO 583.A O no hydrogen 2.999 N/A ALA 587.A N THR 585.A OG1 no hydrogen 3.320 N/A GLY 590.A N TYR 612.A O no hydrogen 2.814 N/A SER 591.A N SER 560.A O no hydrogen 2.787 N/A TYR 592.A N VAL 610.A O no hydrogen 3.029 N/A TYR 592.A OH VAL 588.A O no hydrogen 2.581 N/A ARG 593.A N GLN 558.A O no hydrogen 3.185 N/A ARG 593.A NE GLN 558.A OE1 no hydrogen 2.980 N/A ARG 593.A NH1 GLN 558.A OE1 no hydrogen 2.875 N/A VAL 594.A N SER 607.A OG no hydrogen 3.023 N/A ARG 595.A N GLU 556.A O no hydrogen 3.081 N/A ARG 595.A NE GLU 556.A OE1 no hydrogen 2.821 N/A ARG 595.A NH1 GLU 556.A OE1 no hydrogen 2.860 N/A LEU 597.A N THR 554.A O no hydrogen 2.985 N/A ASP 598.A N ARG 602.A O no hydrogen 2.952 N/A TYR 599.A N CYS 551.A O no hydrogen 3.281 N/A TYR 599.A OH HIS 513.A ND1 no hydrogen 2.642 N/A TRP 600.A N ASP 598.A OD1 no hydrogen 2.665 N/A TRP 600.A NE1 GLY 442.A O no hydrogen 2.992 N/A ALA 601.A N ASP 598.A O no hydrogen 3.286 N/A ARG 602.A N ASP 598.A OD1 no hydrogen 2.861 N/A ARG 602.A NH1 PRO 518.A O no hydrogen 3.079 N/A ARG 602.A NH1 ASP 598.A OD2 no hydrogen 3.141 N/A ARG 602.A NH2 PRO 518.A O no hydrogen 2.544 N/A GLY 604.A N ALA 596.A O no hydrogen 2.845 N/A SER 607.A N VAL 594.A O no hydrogen 3.059 N/A SER 607.A OG ASP 608.A O no hydrogen 3.036 N/A VAL 610.A N TYR 592.A O no hydrogen 2.823 N/A TYR 612.A N GLY 590.A O no hydrogen 2.795 N/A GLU 614.A N SER 589.A OG no hydrogen 2.991 N/A