Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1w2x_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 4.A OG1 TYR 6.A O no hydrogen 2.845 N/A LEU 12.A N VAL 8.A O no hydrogen 3.500 N/A GLN 13.A N LYS 9.A O no hydrogen 3.286 N/A ARG 16.A N GLN 13.A O no hydrogen 3.197 N/A TYR 17.A N PRO 14.A O no hydrogen 2.961 N/A LYS 18.A N PRO 14.A O no hydrogen 3.101 N/A ALA 19.A N LYS 15.A O no hydrogen 2.720 N/A HIS 20.A N ARG 16.A O no hydrogen 3.153 N/A HIS 20.A ND1 GLU 10.A OE2 no hydrogen 3.068 N/A LEU 21.A N TYR 17.A O no hydrogen 2.809 N/A MET 22.A N LYS 18.A O no hydrogen 2.989 N/A GLY 23.A N HIS 20.A O no hydrogen 2.751 N/A THR 24.A N ALA 19.A O no hydrogen 3.179 N/A THR 24.A OG1 THR 248.A O no hydrogen 3.219 N/A THR 24.A OG1 THR 248.A OG1 no hydrogen 2.826 N/A THR 25.A N ASP 315.A OD2 no hydrogen 2.805 N/A THR 25.A OG1 ASP 315.A OD2 no hydrogen 2.751 N/A TYR 28.A OH GLU 60.A OE2 no hydrogen 2.579 N/A ASP 29.A N TYR 26.A O no hydrogen 2.650 N/A PHE 30.A N VAL 27.A O no hydrogen 3.265 N/A PHE 34.A N PHE 30.A O no hydrogen 3.150 N/A ARG 35.A N PRO 31.A O no hydrogen 3.103 N/A ARG 35.A NE GLU 32.A OE1 no hydrogen 2.923 N/A ARG 35.A NE GLU 32.A OE2 no hydrogen 3.359 N/A ARG 35.A NH2 GLU 32.A OE2 no hydrogen 2.716 N/A GLN 36.A N GLU 32.A O no hydrogen 2.924 N/A GLN 36.A NE2 GLU 32.A OE2 no hydrogen 2.521 N/A ALA 37.A N LEU 33.A O no hydrogen 2.994 N/A SER 38.A N PHE 34.A O no hydrogen 2.854 N/A SER 38.A OG PHE 34.A O no hydrogen 2.506 N/A SER 39.A N ARG 35.A O no hydrogen 2.814 N/A SER 40.A N GLN 36.A O no hydrogen 2.789 N/A SER 40.A OG GLN 36.A O no hydrogen 3.059 N/A GLN 41.A N ALA 37.A O no hydrogen 2.919 N/A TRP 42.A N SER 38.A O no hydrogen 3.235 N/A TRP 42.A NE1 LYS 91.A O no hydrogen 3.038 N/A LYS 43.A N SER 39.A O no hydrogen 3.060 N/A ASN 44.A N SER 40.A O no hydrogen 3.128 N/A PHE 45.A N GLN 41.A O no hydrogen 3.191 N/A SER 46.A N TRP 42.A O no hydrogen 2.852 N/A PHE 55.A N THR 52.A O no hydrogen 2.897 N/A PHE 56.A N ASP 53.A O no hydrogen 3.429 N/A ILE 57.A N THR 89.A O no hydrogen 2.908 N/A ASN 59.A N LYS 87.A O no hydrogen 3.140 N/A ASN 59.A ND2 GLU 71.A OE1 no hydrogen 2.939 N/A LEU 61.A N ALA 85.A O no hydrogen 2.981 N/A ILE 62.A N THR 70.A O no hydrogen 3.099 N/A ASP 64.A N GLU 68.A O no hydrogen 2.678 N/A GLY 67.A N ASP 64.A O no hydrogen 2.844 N/A GLU 68.A N ASP 64.A OD2 no hydrogen 3.033 N/A THR 70.A N ILE 62.A O no hydrogen 2.930 N/A VAL 72.A N GLU 60.A O no hydrogen 2.979 N/A ARG 74.A NE GLU 60.A OE1 no hydrogen 2.938 N/A ARG 74.A NE GLU 60.A OE2 no hydrogen 3.386 N/A ARG 74.A NH2 TYR 28.A OH no hydrogen 3.299 N/A ARG 74.A NH2 GLU 60.A OE2 no hydrogen 2.854 N/A GLY 82.A N GLU 119.A OE1 no hydrogen 2.755 N/A VAL 84.A N ALA 105.A O no hydrogen 2.876 N/A PHE 86.A N VAL 103.A O no hydrogen 2.932 N/A LYS 87.A N ASN 59.A O no hydrogen 2.979 N/A LYS 87.A NZ TYR 129.A OH no hydrogen 2.850 N/A ILE 88.A N PHE 101.A O no hydrogen 2.830 N/A THR 89.A N ILE 57.A O no hydrogen 2.922 N/A THR 89.A OG1 GLN 100.A OE1 no hydrogen 3.192 N/A VAL 90.A N ARG 99.A O no hydrogen 2.984 N/A LYS 91.A N PHE 55.A O no hydrogen 2.878 N/A THR 92.A N TYR 95.A O no hydrogen 2.838 N/A THR 92.A OG1 GLU 94.A OE1 no hydrogen 2.860 N/A TYR 95.A N THR 92.A OG1 no hydrogen 3.050 N/A GLY 98.A N TYR 95.A O no hydrogen 2.785 N/A ARG 99.A N VAL 90.A O no hydrogen 2.991 N/A ARG 99.A NH1 MET 326.A O no hydrogen 2.955 N/A ARG 99.A NH1 VAL 329.A O no hydrogen 3.372 N/A ARG 99.A NH2 MET 326.A O no hydrogen 3.535 N/A ARG 99.A NH2 VAL 329.A O no hydrogen 2.921 N/A PHE 101.A N ILE 88.A O no hydrogen 3.134 N/A VAL 102.A N PRO 136.A O no hydrogen 3.053 N/A VAL 103.A N PHE 86.A O no hydrogen 2.843 N/A VAL 104.A N ILE 138.A O no hydrogen 2.800 N/A ALA 105.A N VAL 84.A O no hydrogen 2.898 N/A ASN 106.A N LEU 140.A O no hydrogen 3.371 N/A ASN 106.A ND2 TYR 139.A OH no hydrogen 2.658 N/A ASN 106.A ND2 LEU 140.A O no hydrogen 3.659 N/A ASP 107.A N GLY 82.A O no hydrogen 3.264 N/A THR 109.A N ASP 107.A OD2 no hydrogen 2.937 N/A THR 109.A OG1 ASP 107.A OD1 no hydrogen 3.285 N/A THR 109.A OG1 ASP 107.A OD2 no hydrogen 2.508 N/A PHE 110.A N ASP 107.A O no hydrogen 2.706 N/A GLY 113.A N PHE 110.A O no hydrogen 2.798 N/A SER 114.A N LYS 111.A O no hydrogen 2.842 N/A SER 114.A OG LYS 111.A O no hydrogen 2.879 N/A PHE 115.A N GLY 145.A O no hydrogen 2.768 N/A GLU 119.A N GLU 119.A OE2 no hydrogen 2.766 N/A ASP 120.A N GLY 116.A O no hydrogen 2.917 N/A GLU 121.A N PRO 117.A O no hydrogen 2.833 N/A PHE 122.A N GLN 118.A O no hydrogen 3.054 N/A PHE 123.A N GLU 119.A O no hydrogen 2.736 N/A ASN 124.A N ASP 120.A O no hydrogen 2.819 N/A LYS 125.A N GLU 121.A O no hydrogen 2.859 N/A LYS 125.A NZ GLU 68.A OE1 no hydrogen 2.991 N/A VAL 126.A N PHE 122.A O no hydrogen 2.960 N/A THR 127.A N PHE 123.A O no hydrogen 2.998 N/A THR 127.A OG1 PHE 123.A O no hydrogen 3.016 N/A GLU 128.A N ASN 124.A O no hydrogen 2.981 N/A TYR 129.A N LYS 125.A O no hydrogen 2.894 N/A ALA 130.A N VAL 126.A O no hydrogen 3.021 N/A ARG 131.A N THR 127.A O no hydrogen 3.106 N/A ARG 131.A NE ASP 240.A OD1 no hydrogen 2.691 N/A ARG 131.A NH2 ASP 240.A OD1 no hydrogen 2.863 N/A LYS 132.A N GLU 128.A O no hydrogen 2.908 N/A ARG 133.A N TYR 129.A O no hydrogen 3.272 N/A ARG 133.A NH1 TYR 129.A O no hydrogen 3.134 N/A GLY 134.A N ARG 131.A O no hydrogen 2.987 N/A ILE 135.A N ALA 130.A O no hydrogen 3.068 N/A ARG 137.A N PHE 242.A O no hydrogen 3.020 N/A ARG 137.A NE ARG 137.A O no hydrogen 2.541 N/A ARG 137.A NH2 ARG 137.A O no hydrogen 3.359 N/A ARG 137.A NH2 ILE 244.A O no hydrogen 3.104 N/A ARG 137.A NH2 THR 245.A OG1 no hydrogen 3.334 N/A ILE 138.A N VAL 102.A O no hydrogen 2.817 N/A TYR 139.A N ILE 244.A O no hydrogen 2.974 N/A LEU 140.A N VAL 104.A O no hydrogen 2.745 N/A ALA 141.A N LEU 246.A O no hydrogen 2.912 N/A ASN 143.A N ARG 250.A O no hydrogen 2.938 N/A ASN 143.A ND2 VAL 252.A O no hydrogen 3.254 N/A SER 144.A N GLY 113.A O no hydrogen 3.257 N/A SER 144.A OG ILE 112.A O no hydrogen 2.613 N/A ARG 147.A N PHE 115.A O no hydrogen 2.961 N/A ARG 147.A NE SER 114.A OG no hydrogen 2.745 N/A ARG 147.A NH2 SER 114.A OG no hydrogen 3.192 N/A ARG 147.A NH2 GLU 119.A OE1 no hydrogen 2.935 N/A GLU 152.A N MET 150.A O no hydrogen 2.926 N/A ILE 154.A N ALA 151.A O no hydrogen 2.792 N/A VAL 155.A N GLU 152.A O no hydrogen 3.046 N/A GLN 159.A N TYR 176.A O no hydrogen 2.796 N/A ALA 161.A N TYR 174.A O no hydrogen 2.920 N/A ASN 163.A N GLY 171.A O no hydrogen 3.189 N/A ASN 167.A N ASP 164.A O no hydrogen 2.935 N/A ASN 167.A N ASP 164.A OD2 no hydrogen 2.683 N/A LYS 170.A N ASN 167.A O no hydrogen 2.774 N/A GLY 171.A N PRO 168.A O no hydrogen 2.713 N/A GLN 173.A N ALA 161.A O no hydrogen 2.960 N/A GLN 173.A NE2 ASN 163.A OD1 no hydrogen 3.487 N/A TYR 176.A N GLN 159.A O no hydrogen 2.690 N/A LEU 177.A N PHE 207.A O no hydrogen 2.849 N/A SER 179.A OG GLU 205.A OE2 no hydrogen 3.163 N/A GLU 180.A N THR 178.A OG1 no hydrogen 3.189 N/A GLY 181.A N THR 178.A OG1 no hydrogen 3.016 N/A MET 182.A N THR 178.A O no hydrogen 2.899 N/A GLU 183.A N SER 179.A O no hydrogen 3.355 N/A THR 184.A N GLU 180.A O no hydrogen 3.034 N/A THR 184.A OG1 GLU 180.A O no hydrogen 3.252 N/A LEU 185.A N GLY 181.A O no hydrogen 3.044 N/A LYS 186.A N MET 182.A O no hydrogen 3.077 N/A LYS 187.A N GLU 183.A O no hydrogen 2.796 N/A LYS 187.A N THR 184.A O no hydrogen 3.235 N/A PHE 188.A N LEU 185.A O no hydrogen 2.858 N/A ASP 189.A N LYS 186.A O no hydrogen 3.320 N/A SER 193.A OG LYS 190.A O no hydrogen 3.377 N/A LEU 195.A N THR 211.A O no hydrogen 2.833 N/A GLU 197.A N VAL 208.A O no hydrogen 2.858 N/A ARG 198.A NE GLU 205.A OE1 no hydrogen 2.500 N/A THR 199.A N ARG 206.A O no hydrogen 3.104 N/A THR 199.A OG1 ARG 206.A O no hydrogen 3.432 N/A ILE 201.A N GLU 204.A O no hydrogen 3.117 N/A ARG 206.A N THR 199.A O no hydrogen 3.092 N/A PHE 207.A N LEU 177.A O no hydrogen 2.973 N/A VAL 208.A N GLU 197.A O no hydrogen 3.141 N/A ILE 209.A N LEU 175.A O no hydrogen 3.149 N/A LYS 210.A N LEU 195.A O no hydrogen 2.711 N/A LYS 210.A NZ GLU 197.A OE2 no hydrogen 3.135 N/A THR 211.A N LEU 195.A O no hydrogen 3.219 N/A ILE 213.A N SER 193.A O no hydrogen 3.440 N/A GLY 214.A N SER 193.A O no hydrogen 3.467 N/A SER 215.A N GLU 153.A OE1 no hydrogen 3.265 N/A SER 215.A OG GLU 153.A OE1 no hydrogen 2.612 N/A GLY 218.A N GLU 222.A OE1 no hydrogen 3.018 N/A LEU 219.A N GLU 222.A OE1 no hydrogen 3.093 N/A GLY 220.A N GLU 222.A OE2 no hydrogen 2.762 N/A GLU 222.A N GLU 222.A OE2 no hydrogen 2.637 N/A CYS 223.A N GLY 220.A O no hydrogen 2.711 N/A CYS 223.A SG PHE 115.A O no hydrogen 4.003 N/A CYS 223.A SG ARG 147.A O no hydrogen 3.357 N/A ARG 225.A N VAL 221.A O no hydrogen 3.011 N/A SER 227.A N CYS 223.A O no hydrogen 3.080 N/A SER 227.A OG CYS 223.A O no hydrogen 3.272 N/A GLY 228.A N LEU 224.A O no hydrogen 3.039 N/A LEU 229.A N ARG 225.A O no hydrogen 2.928 N/A ILE 230.A N GLY 226.A O no hydrogen 3.142 N/A ALA 231.A N SER 227.A O no hydrogen 2.781 N/A GLY 232.A N GLY 228.A O no hydrogen 2.893 N/A ALA 233.A N LEU 229.A O no hydrogen 2.902 N/A THR 234.A N ILE 230.A O no hydrogen 2.900 N/A THR 234.A OG1 ILE 230.A O no hydrogen 2.926 N/A SER 235.A N ALA 231.A O no hydrogen 2.874 N/A ARG 236.A N GLY 232.A O no hydrogen 3.047 N/A ARG 236.A NE GLY 232.A O no hydrogen 3.348 N/A ALA 237.A N ALA 233.A O no hydrogen 2.897 N/A TYR 238.A N THR 234.A O no hydrogen 3.052 N/A TYR 238.A OH ASP 457.A OD1 no hydrogen 2.535 N/A HIS 239.A N ARG 236.A O no hydrogen 3.157 N/A HIS 239.A ND1 ASN 460.A OD1 no hydrogen 3.022 N/A ASP 240.A N ALA 237.A O no hydrogen 2.740 N/A ILE 241.A N ALA 237.A O no hydrogen 2.849 N/A THR 243.A OG1 GLY 262.A O no hydrogen 2.629 N/A ILE 244.A N ARG 137.A O no hydrogen 3.501 N/A THR 245.A N ARG 264.A O no hydrogen 2.958 N/A LEU 246.A N TYR 139.A O no hydrogen 2.817 N/A VAL 247.A N ILE 266.A O no hydrogen 2.993 N/A THR 248.A N ALA 141.A O no hydrogen 3.008 N/A THR 248.A OG1 THR 24.A OG1 no hydrogen 2.826 N/A THR 248.A OG1 ASP 315.A OD1 no hydrogen 2.747 N/A CYS 249.A N ALA 141.A O no hydrogen 3.269 N/A CYS 249.A SG MET 22.A O no hydrogen 3.792 N/A ARG 250.A NH2 SER 144.A OG no hydrogen 2.993 N/A SER 251.A N PRO 272.A O no hydrogen 2.928 N/A SER 251.A OG ASN 143.A OD1 no hydrogen 3.318 N/A GLY 253.A N ILE 274.A O no hydrogen 2.840 N/A GLY 255.A N VAL 252.A O no hydrogen 2.568 N/A TYR 257.A N GLY 253.A O no hydrogen 3.043 N/A LEU 258.A N ILE 254.A O no hydrogen 2.781 N/A VAL 259.A N GLY 255.A O no hydrogen 3.305 N/A ARG 260.A N ALA 256.A O no hydrogen 3.275 N/A LEU 261.A N TYR 257.A O no hydrogen 2.755 N/A GLY 262.A N LEU 258.A O no hydrogen 3.178 N/A GLN 263.A N ARG 260.A O no hydrogen 2.740 N/A ARG 264.A N GLY 262.A O no hydrogen 2.728 N/A ARG 264.A NE THR 243.A O no hydrogen 2.817 N/A ARG 264.A NH1 ASN 460.A O no hydrogen 3.236 N/A ARG 264.A NH1 GLU 462.A OE1 no hydrogen 3.405 N/A ARG 264.A NH2 THR 243.A O no hydrogen 3.405 N/A ARG 264.A NH2 THR 243.A OG1 no hydrogen 3.412 N/A ILE 266.A N THR 245.A O no hydrogen 2.941 N/A GLN 267.A N LEU 310.A O no hydrogen 2.884 N/A VAL 268.A N VAL 247.A O no hydrogen 3.361 N/A GLU 269.A N ALA 312.A O no hydrogen 2.687 N/A GLN 271.A N VAL 268.A O no hydrogen 3.207 N/A ILE 273.A N GLY 297.A O no hydrogen 2.949 N/A ILE 274.A N SER 251.A O no hydrogen 2.858 N/A ALA 278.A N ASN 293.A OD1 no hydrogen 2.721 N/A ILE 281.A N GLY 277.A O no hydrogen 3.031 N/A ASN 282.A N ALA 278.A O no hydrogen 2.736 N/A ASN 282.A ND2 TYR 290.A O no hydrogen 2.754 N/A LYS 283.A N PRO 279.A O no hydrogen 2.816 N/A MET 284.A N ALA 280.A O no hydrogen 2.969 N/A LEU 285.A N ILE 281.A O no hydrogen 2.953 N/A GLY 286.A N LYS 283.A O no hydrogen 2.851 N/A TYR 290.A N ASN 282.A OD1 no hydrogen 2.781 N/A GLN 295.A N SER 292.A O no hydrogen 3.033 N/A GLN 295.A NE2 SER 292.A O no hydrogen 3.409 N/A LEU 296.A N ASN 293.A O no hydrogen 2.852 N/A GLY 297.A N ASN 293.A O no hydrogen 2.772 N/A GLY 298.A N LEU 294.A O no hydrogen 2.913 N/A ILE 301.A N GLY 298.A O no hydrogen 2.873 N/A MET 302.A N GLY 298.A O no hydrogen 2.964 N/A TYR 303.A N THR 299.A O no hydrogen 2.804 N/A TYR 303.A OH SER 390.A OG no hydrogen 2.574 N/A ASN 305.A N ILE 301.A O no hydrogen 2.860 N/A GLY 306.A N MET 302.A O no hydrogen 3.106 N/A SER 308.A N MET 302.A O no hydrogen 2.825 N/A HIS 309.A N ALA 265.A O no hydrogen 2.697 N/A HIS 309.A NE2 ASP 457.A OD2 no hydrogen 3.373 N/A LEU 310.A N ALA 265.A O no hydrogen 3.283 N/A ALA 312.A N GLN 267.A O no hydrogen 2.927 N/A ALA 317.A N ASP 314.A OD1 no hydrogen 2.974 N/A GLY 318.A N ASP 314.A O no hydrogen 3.019 N/A VAL 319.A N ASP 315.A O no hydrogen 2.865 N/A GLU 320.A N LEU 316.A O no hydrogen 2.968 N/A LYS 321.A N ALA 317.A O no hydrogen 3.017 N/A ILE 322.A N GLY 318.A O no hydrogen 2.886 N/A VAL 323.A N VAL 319.A O no hydrogen 2.910 N/A GLU 324.A N GLU 320.A O no hydrogen 2.814 N/A TRP 325.A N LYS 321.A O no hydrogen 2.721 N/A TRP 325.A NE1 GLU 462.A OE1 no hydrogen 2.957 N/A MET 326.A N ILE 322.A O no hydrogen 2.902 N/A SER 327.A N GLU 324.A O no hydrogen 3.235 N/A SER 327.A OG GLU 324.A O no hydrogen 2.730 N/A TYR 328.A N TRP 325.A O no hydrogen 3.476 N/A TYR 328.A OH SER 384.A O no hydrogen 2.834 N/A VAL 329.A N MET 326.A O no hydrogen 2.887 N/A ALA 331.A N TYR 95.A OH no hydrogen 2.761 N/A ARG 333.A N GLY 134.A O no hydrogen 2.697 N/A ARG 333.A NH1 ARG 131.A O no hydrogen 3.180 N/A ARG 333.A NH1 ASP 240.A O no hydrogen 3.447 N/A ARG 333.A NH2 ARG 131.A O no hydrogen 2.845 N/A ASN 334.A N GLN 463.A OE1 no hydrogen 2.635 N/A MET 335.A N LYS 332.A O no hydrogen 3.145 N/A LEU 340.A N GLY 405.A O no hydrogen 2.996 N/A ARG 348.A N TRP 346.A O no hydrogen 2.895 N/A ARG 348.A NE ASP 344.A OD1 no hydrogen 3.485 N/A ARG 348.A NE ASP 344.A OD2 no hydrogen 2.590 N/A ARG 348.A NH1 PRO 349.A O no hydrogen 2.761 N/A ARG 348.A NH1 GLY 378.A O no hydrogen 3.108 N/A ARG 348.A NH2 ASP 344.A OD1 no hydrogen 3.251 N/A ARG 348.A NH2 GLY 378.A O no hydrogen 2.861 N/A VAL 350.A N THR 602.A O no hydrogen 2.918 N/A ASP 351.A N TYR 377.A O no hydrogen 2.932 N/A PHE 352.A N TYR 377.A O no hydrogen 3.289 N/A THR 353.A OG1 ASP 351.A O no hydrogen 3.011 N/A THR 355.A OG1 GLU 358.A OE2 no hydrogen 3.496 N/A GLU 358.A N THR 355.A O no hydrogen 3.347 N/A ARG 363.A N ASP 361.A OD2 no hydrogen 2.831 N/A ARG 363.A NE GLU 387.A OE2 no hydrogen 2.966 N/A ARG 363.A NH1 ASP 361.A OD2 no hydrogen 3.186 N/A ARG 363.A NH1 GLU 414.A OE2 no hydrogen 3.259 N/A ARG 363.A NH2 GLU 387.A OE1 no hydrogen 2.837 N/A ARG 363.A NH2 GLU 387.A OE2 no hydrogen 3.567 N/A TRP 364.A N ASP 361.A O no hydrogen 2.568 N/A ILE 366.A N VAL 362.A O no hydrogen 3.104 N/A GLU 367.A N ARG 363.A O no hydrogen 2.812 N/A ARG 369.A N GLU 376.A O no hydrogen 2.880 N/A ARG 369.A NH2 GLU 376.A OE2 no hydrogen 3.546 N/A THR 371.A N GLY 374.A O no hydrogen 2.788 N/A THR 371.A OG1 SER 373.A OG no hydrogen 3.326 N/A THR 371.A OG1 GLY 374.A O no hydrogen 2.711 N/A SER 373.A OG THR 371.A OG1 no hydrogen 3.326 N/A GLU 376.A N ARG 369.A O no hydrogen 2.733 N/A TYR 377.A N ASP 351.A OD2 no hydrogen 2.844 N/A LEU 379.A N MET 365.A O no hydrogen 2.797 N/A PHE 380.A N ILE 366.A O no hydrogen 2.844 N/A ASP 381.A N ARG 402.A O no hydrogen 2.844 N/A LYS 382.A N ASP 344.A OD1 no hydrogen 2.796 N/A SER 384.A N ASP 381.A O no hydrogen 3.029 N/A SER 384.A OG ASP 381.A O no hydrogen 2.596 N/A PHE 386.A N ARG 400.A O no hydrogen 2.733 N/A THR 388.A N VAL 398.A O no hydrogen 2.814 N/A LEU 389.A N HIS 309.A O no hydrogen 2.799 N/A SER 390.A OG TYR 303.A OH no hydrogen 2.574 N/A TRP 392.A N LEU 389.A O no hydrogen 3.353 N/A VAL 396.A N ALA 393.A O no hydrogen 3.255 N/A VAL 397.A N GLY 412.A O no hydrogen 2.721 N/A GLY 399.A N VAL 410.A O no hydrogen 3.062 N/A ARG 400.A N PHE 386.A O no hydrogen 2.834 N/A ARG 400.A NE GLU 462.A OE1 no hydrogen 3.292 N/A ARG 400.A NE GLU 462.A OE2 no hydrogen 2.730 N/A ARG 400.A NH1 THR 388.A OG1 no hydrogen 2.970 N/A ARG 400.A NH2 GLU 462.A OE1 no hydrogen 2.904 N/A ARG 400.A NH2 GLU 462.A OE2 no hydrogen 3.556 N/A ALA 401.A N LEU 408.A O no hydrogen 3.015 N/A ARG 402.A N SER 384.A OG no hydrogen 3.032 N/A ARG 402.A NH2 SER 327.A O no hydrogen 3.067 N/A ARG 402.A NH2 SER 327.A OG no hydrogen 2.964 N/A LEU 403.A N ILE 406.A O no hydrogen 2.986 N/A GLY 404.A N ASP 381.A OD2 no hydrogen 2.599 N/A GLY 405.A N ASP 381.A OD1 no hydrogen 2.661 N/A ILE 406.A N LEU 403.A O no hydrogen 3.331 N/A LEU 408.A N ALA 401.A O no hydrogen 2.890 N/A GLY 409.A N PRO 465.A O no hydrogen 2.902 N/A VAL 410.A N GLY 399.A O no hydrogen 2.759 N/A ILE 411.A N MET 467.A O no hydrogen 3.087 N/A GLY 412.A N VAL 397.A O no hydrogen 2.753 N/A GLU 414.A N GLY 395.A O no hydrogen 3.051 N/A ARG 416.A N GLU 414.A OE1 no hydrogen 3.080 N/A ARG 416.A NH1 GLU 414.A OE1 no hydrogen 3.017 N/A VAL 418.A N GLU 438.A O no hydrogen 2.836 N/A ASN 420.A N ILE 436.A O no hydrogen 2.792 N/A ASN 420.A ND2 GLU 438.A OE2 no hydrogen 3.215 N/A ILE 422.A N THR 434.A O no hydrogen 2.661 N/A ALA 427.A N ASP 425.A OD2 no hydrogen 3.388 N/A ASN 428.A N ASP 425.A O no hydrogen 2.651 N/A ASN 428.A ND2 ASN 430.A OD1 no hydrogen 2.958 N/A SER 431.A N ASN 428.A O no hydrogen 2.842 N/A SER 431.A OG ASP 425.A O no hydrogen 2.736 N/A SER 431.A OG ASN 428.A O no hydrogen 2.480 N/A THR 434.A N ILE 422.A O no hydrogen 2.879 N/A THR 434.A OG1 ALA 432.A O no hydrogen 3.247 N/A ILE 436.A N ASN 420.A O no hydrogen 2.509 N/A GLN 437.A NE2 GLU 419.A OE1 no hydrogen 3.089 N/A GLU 438.A N VAL 418.A O no hydrogen 2.714 N/A GLN 441.A NE2 ASN 471.A OD1 no hydrogen 2.909 N/A TRP 443.A N GLY 474.A O no hydrogen 3.101 N/A TRP 443.A NE1 THR 451.A OG1 no hydrogen 2.977 N/A HIS 444.A N SER 447.A OG no hydrogen 2.752 N/A ASN 446.A ND2 GLU 438.A OE2 no hydrogen 2.990 N/A SER 447.A OG HIS 444.A O no hydrogen 3.247 N/A ALA 448.A N HIS 444.A O no hydrogen 2.854 N/A PHE 449.A N PRO 445.A O no hydrogen 2.945 N/A LYS 450.A N ASN 446.A O no hydrogen 2.921 N/A LYS 450.A NZ LEU 389.A O no hydrogen 2.630 N/A LYS 450.A NZ TRP 392.A O no hydrogen 2.648 N/A LYS 450.A NZ ALA 393.A O no hydrogen 3.309 N/A LYS 450.A NZ VAL 396.A O no hydrogen 3.037 N/A THR 451.A N SER 447.A O no hydrogen 2.985 N/A THR 451.A OG1 SER 447.A O no hydrogen 2.632 N/A ALA 452.A N ALA 448.A O no hydrogen 3.114 N/A GLN 453.A N PHE 449.A O no hydrogen 2.755 N/A ALA 454.A N LYS 450.A O no hydrogen 2.854 N/A ILE 455.A N THR 451.A O no hydrogen 2.942 N/A ASN 456.A N ALA 452.A O no hydrogen 2.892 N/A ASP 457.A N GLN 453.A O no hydrogen 2.923 N/A PHE 458.A N ALA 454.A O no hydrogen 2.846 N/A PHE 458.A N ILE 455.A O no hydrogen 3.228 N/A ASN 459.A N ILE 455.A O no hydrogen 3.060 N/A ASN 459.A ND2 ASP 499.A O no hydrogen 2.960 N/A ASN 460.A N ASN 456.A O no hydrogen 2.844 N/A ASN 460.A ND2 TYR 238.A OH no hydrogen 3.328 N/A ASN 460.A ND2 ASN 456.A O no hydrogen 2.979 N/A GLU 462.A N ASN 460.A O no hydrogen 2.669 N/A LEU 464.A N PHE 458.A O no hydrogen 3.033 N/A MET 466.A N PRO 503.A O no hydrogen 3.075 N/A MET 467.A N GLY 409.A O no hydrogen 3.009 N/A ILE 468.A N ILE 505.A O no hydrogen 2.800 N/A LEU 469.A N ILE 411.A O no hydrogen 2.814 N/A ARG 473.A N GLN 441.A O no hydrogen 2.642 N/A ARG 473.A NH1 GLN 441.A OE1 no hydrogen 3.530 N/A SER 476.A N TRP 443.A O no hydrogen 2.885 N/A SER 476.A OG ASP 481.A OD2 no hydrogen 2.498 N/A MET 482.A N GLY 478.A O no hydrogen 3.069 N/A PHE 483.A N GLN 479.A O no hydrogen 2.700 N/A ASN 484.A N ARG 480.A O no hydrogen 2.770 N/A GLU 485.A N MET 482.A O no hydrogen 3.165 N/A VAL 486.A N ASP 481.A O no hydrogen 3.181 N/A LYS 488.A N GLU 485.A O no hydrogen 3.079 N/A LYS 488.A NZ GLU 485.A OE1 no hydrogen 2.677 N/A GLY 490.A N VAL 486.A O no hydrogen 3.079 N/A SER 491.A N LEU 487.A O no hydrogen 3.315 N/A SER 491.A OG LEU 487.A O no hydrogen 2.851 N/A PHE 492.A N LYS 488.A O no hydrogen 3.066 N/A ILE 493.A N GLY 490.A O no hydrogen 2.873 N/A ASP 495.A N SER 491.A O no hydrogen 2.913 N/A ALA 496.A N PHE 492.A O no hydrogen 2.948 N/A LEU 497.A N ILE 493.A O no hydrogen 2.966 N/A VAL 498.A N VAL 494.A O no hydrogen 3.082 N/A ASP 499.A N ASP 495.A O no hydrogen 3.244 N/A TYR 500.A N LEU 497.A O no hydrogen 3.102 N/A TYR 500.A OH LEU 464.A O no hydrogen 2.849 N/A LYS 501.A N ASN 459.A OD1 no hydrogen 2.787 N/A LYS 501.A NZ ASP 499.A O no hydrogen 2.664 N/A LYS 501.A NZ ASP 499.A OD1 no hydrogen 2.985 N/A GLN 502.A NE2 ASN 459.A OD1 no hydrogen 2.936 N/A GLN 502.A NE2 LEU 464.A O no hydrogen 3.265 N/A ILE 504.A N GLN 530.A O no hydrogen 2.686 N/A ILE 505.A N MET 466.A O no hydrogen 2.702 N/A ILE 506.A N GLU 532.A O no hydrogen 2.880 N/A TYR 507.A N ILE 468.A O no hydrogen 2.925 N/A TYR 507.A OH ASP 536.A OD1 no hydrogen 2.850 N/A ILE 508.A N TYR 534.A O no hydrogen 2.811 N/A GLY 512.A N PRO 509.A O no hydrogen 3.005 N/A GLU 513.A N ASN 471.A OD1 no hydrogen 2.720 N/A LEU 514.A N ARG 540.A O no hydrogen 3.044 N/A ARG 515.A N TRP 472.A O no hydrogen 3.049 N/A ARG 515.A NE GLU 513.A OE2 no hydrogen 2.983 N/A ARG 515.A NH1 LEU 544.A O no hydrogen 2.698 N/A ARG 515.A NH1 ASP 584.A OD2 no hydrogen 2.959 N/A ARG 515.A NH2 GLU 513.A OE2 no hydrogen 3.352 N/A GLY 516.A N GLY 542.A O no hydrogen 3.297 N/A TRP 519.A N ARG 515.A O no hydrogen 3.160 N/A TRP 519.A NE1 ASP 523.A OD1 no hydrogen 2.996 N/A VAL 520.A N GLY 516.A O no hydrogen 3.344 N/A VAL 521.A N GLY 517.A O no hydrogen 3.401 N/A VAL 522.A N TRP 519.A O no hydrogen 2.885 N/A ASP 523.A N VAL 520.A O no hydrogen 3.310 N/A THR 525.A N ASP 523.A OD2 no hydrogen 2.809 N/A THR 525.A OG1 ASP 523.A OD2 no hydrogen 2.542 N/A ILE 526.A N ASP 523.A O no hydrogen 3.066 N/A ASN 527.A N PRO 524.A O no hydrogen 2.979 N/A GLN 530.A N ASN 527.A O no hydrogen 3.154 N/A GLN 530.A NE2 GLU 619.A OE2 no hydrogen 3.148 N/A MET 531.A N ASN 527.A O no hydrogen 2.738 N/A TYR 534.A N ILE 506.A O no hydrogen 2.574 N/A TYR 534.A OH GLU 532.A OE1 no hydrogen 3.004 N/A ALA 535.A N LYS 597.A O no hydrogen 3.347 N/A ASP 536.A N ILE 508.A O no hydrogen 2.949 N/A VAL 537.A N LEU 599.A O no hydrogen 2.798 N/A ASN 538.A N ASP 536.A OD2 no hydrogen 2.789 N/A ALA 539.A N ASP 536.A O no hydrogen 3.031 N/A ARG 540.A N GLY 512.A O no hydrogen 3.165 N/A ARG 540.A NE ASP 581.A OD1 no hydrogen 3.132 N/A ARG 540.A NE ASP 581.A OD2 no hydrogen 3.121 N/A ARG 540.A NH1 ALA 539.A O no hydrogen 3.520 N/A ARG 540.A NH2 ASP 581.A OD2 no hydrogen 3.277 N/A ALA 541.A N ASP 584.A O no hydrogen 3.224 N/A MET 549.A N GLU 545.A O no hydrogen 3.084 N/A MET 549.A N PRO 546.A O no hydrogen 2.919 N/A VAL 550.A N PRO 546.A O no hydrogen 3.065 N/A GLY 551.A N GLN 547.A O no hydrogen 2.962 N/A ILE 552.A N MET 549.A O no hydrogen 3.328 N/A LYS 553.A N MET 549.A O no hydrogen 2.893 N/A PHE 554.A N VAL 550.A O no hydrogen 3.077 N/A LYS 558.A NZ LYS 553.A O no hydrogen 3.126 N/A LEU 559.A N ARG 555.A O no hydrogen 2.898 N/A LEU 560.A N ARG 556.A O no hydrogen 3.101 N/A LEU 560.A N GLU 557.A O no hydrogen 3.261 N/A THR 562.A OG1 LYS 558.A O no hydrogen 2.721 N/A MET 563.A N LEU 560.A O no hydrogen 2.370 N/A ASN 564.A N ASP 561.A O no hydrogen 3.447 N/A ARG 565.A NH1 ASN 564.A O no hydrogen 3.025 N/A LEU 566.A N MET 563.A O no hydrogen 3.283 N/A ILE 571.A N LEU 568.A O no hydrogen 3.223 N/A TYR 572.A N LEU 568.A O no hydrogen 3.137 N/A TYR 572.A OH THR 562.A O no hydrogen 3.416 N/A GLY 573.A N LEU 569.A O no hydrogen 2.797 N/A SER 576.A N TYR 572.A O no hydrogen 3.403 N/A SER 576.A OG TYR 572.A O no hydrogen 3.548 N/A SER 576.A OG GLY 573.A O no hydrogen 2.761 N/A LEU 577.A N GLY 573.A O no hydrogen 3.109 N/A GLN 578.A N GLN 574.A O no hydrogen 3.162 N/A PHE 579.A N ILE 575.A O no hydrogen 2.918 N/A ALA 580.A N SER 576.A O no hydrogen 2.900 N/A ASP 581.A N LEU 577.A O no hydrogen 2.991 N/A HIS 583.A N ALA 580.A O no hydrogen 2.690 N/A ARG 585.A NH1 ASP 581.A O no hydrogen 3.017 N/A SER 586.A OG GLU 598.A OE1 no hydrogen 2.783 N/A ARG 588.A N ARG 585.A O no hydrogen 2.713 N/A MET 589.A N ARG 585.A O no hydrogen 3.290 N/A VAL 590.A N SER 586.A O no hydrogen 2.857 N/A ALA 591.A N SER 587.A O no hydrogen 2.873 N/A LYS 592.A N ARG 588.A O no hydrogen 2.671 N/A GLY 593.A N VAL 590.A O no hydrogen 2.865 N/A VAL 594.A N MET 589.A O no hydrogen 3.003 N/A SER 596.A N MET 533.A O no hydrogen 2.835 N/A LEU 599.A N ALA 535.A O no hydrogen 2.908 N/A TRP 601.A N ASP 536.A OD1 no hydrogen 2.750 N/A TRP 601.A NE1 PHE 352.A O no hydrogen 2.711 N/A GLU 603.A N GLU 600.A O no hydrogen 2.696 N/A ALA 604.A N TRP 601.A O no hydrogen 3.040 N/A ARG 605.A NE THR 345.A O no hydrogen 3.415 N/A ARG 605.A NH1 LEU 379.A O no hydrogen 2.753 N/A ARG 605.A NH1 ASP 381.A OD2 no hydrogen 3.073 N/A ARG 605.A NH2 THR 345.A O no hydrogen 3.022 N/A ARG 605.A NH2 ASP 381.A OD2 no hydrogen 2.538 N/A ARG 606.A NE ASP 347.A OD2 no hydrogen 2.650 N/A ARG 606.A NH1 GLU 603.A OE1 no hydrogen 3.242 N/A PHE 607.A N GLU 603.A O no hydrogen 3.115 N/A PHE 608.A N ALA 604.A O no hydrogen 2.798 N/A PHE 609.A N ARG 605.A O no hydrogen 3.117 N/A ARG 611.A N PHE 607.A O no hydrogen 3.047 N/A ARG 611.A NE GLU 532.A OE1 no hydrogen 3.091 N/A ARG 611.A NH1 ASP 654.A OD1 no hydrogen 2.875 N/A ARG 611.A NH2 GLU 532.A OE2 no hydrogen 2.853 N/A LEU 612.A N PHE 608.A O no hydrogen 2.827 N/A ARG 613.A N PHE 609.A O no hydrogen 3.160 N/A ARG 613.A NE GLU 662.A OE1 no hydrogen 2.617 N/A ARG 613.A NH2 GLU 662.A OE2 no hydrogen 2.766 N/A ARG 614.A N TRP 610.A O no hydrogen 2.798 N/A ARG 614.A NE GLU 618.A OE1 no hydrogen 2.733 N/A ARG 614.A NH1 HIS 651.A O no hydrogen 2.978 N/A ARG 614.A NH1 ASP 654.A OD1 no hydrogen 2.986 N/A ARG 614.A NH2 GLU 618.A OE1 no hydrogen 3.508 N/A ARG 614.A NH2 GLU 618.A OE2 no hydrogen 3.047 N/A ARG 614.A NH2 HIS 651.A O no hydrogen 2.964 N/A ARG 615.A N ARG 611.A O no hydrogen 2.859 N/A ARG 615.A NH1 ILE 504.A O no hydrogen 3.451 N/A ARG 615.A NH1 GLN 530.A O no hydrogen 3.412 N/A ARG 615.A NH2 GLN 530.A O no hydrogen 3.102 N/A LEU 616.A N LEU 612.A O no hydrogen 2.816 N/A ASN 617.A N ARG 613.A O no hydrogen 3.015 N/A ASN 617.A ND2 TYR 665.A OH no hydrogen 2.543 N/A GLU 618.A N ARG 614.A O no hydrogen 2.990 N/A GLU 619.A N ARG 615.A O no hydrogen 2.779 N/A TYR 620.A N LEU 616.A O no hydrogen 3.159 N/A LEU 621.A N ASN 617.A O no hydrogen 3.351 N/A ILE 622.A N GLU 618.A O no hydrogen 2.727 N/A LYS 623.A N GLU 619.A O no hydrogen 2.840 N/A ARG 624.A N TYR 620.A O no hydrogen 3.140 N/A ARG 624.A NH1 TYR 620.A OH no hydrogen 2.954 N/A ARG 624.A NH1 ASP 669.A OD2 no hydrogen 3.060 N/A ARG 624.A NH2 ASP 669.A OD2 no hydrogen 3.259 N/A LEU 625.A N LEU 621.A O no hydrogen 3.325 N/A SER 626.A N ILE 622.A O no hydrogen 3.088 N/A SER 626.A OG ILE 622.A O no hydrogen 3.090 N/A HIS 627.A N LYS 623.A O no hydrogen 2.920 N/A GLN 628.A NE2 LEU 675.A O no hydrogen 3.497 N/A GLN 628.A NE2 GLU 678.A OE2 no hydrogen 3.130 N/A VAL 629.A N LEU 625.A O no hydrogen 2.868 N/A SER 633.A N GLU 636.A OE2 no hydrogen 3.509 N/A SER 633.A OG GLU 636.A OE2 no hydrogen 3.199 N/A ARG 634.A NH1 GLU 619.A OE1 no hydrogen 2.865 N/A GLU 636.A N SER 633.A OG no hydrogen 3.374 N/A LYS 637.A N SER 633.A O no hydrogen 3.078 N/A LYS 637.A NZ SER 626.A OG no hydrogen 2.510 N/A ILE 638.A N ARG 634.A O no hydrogen 2.945 N/A ALA 639.A N LEU 635.A O no hydrogen 3.239 N/A ARG 640.A N GLU 636.A O no hydrogen 2.865 N/A ILE 641.A N LYS 637.A O no hydrogen 2.962 N/A ARG 642.A N ILE 638.A O no hydrogen 2.890 N/A ARG 642.A NE GLU 618.A OE2 no hydrogen 2.872 N/A ARG 642.A NH2 GLU 618.A OE1 no hydrogen 2.718 N/A ARG 642.A NH2 GLU 618.A OE2 no hydrogen 3.480 N/A SER 643.A N ALA 639.A O no hydrogen 2.933 N/A SER 643.A OG ARG 640.A O no hydrogen 2.590 N/A TRP 644.A N ILE 641.A O no hydrogen 2.941 N/A TYR 645.A N ARG 642.A O no hydrogen 3.302 N/A TYR 645.A OH GLU 618.A OE2 no hydrogen 2.843 N/A VAL 649.A N PRO 646.A O no hydrogen 2.808 N/A GLU 652.A N ASP 650.A OD2 no hydrogen 2.958 N/A ASP 653.A N ASP 650.A O no hydrogen 2.700 N/A GLN 656.A N ASP 653.A OD1 no hydrogen 2.828 N/A VAL 657.A N ASP 653.A O no hydrogen 2.839 N/A ALA 658.A N ASP 654.A O no hydrogen 2.848 N/A THR 659.A N ARG 655.A O no hydrogen 2.763 N/A THR 659.A OG1 ARG 655.A O no hydrogen 2.717 N/A TRP 660.A N GLN 656.A O no hydrogen 2.867 N/A ILE 661.A N VAL 657.A O no hydrogen 3.122 N/A GLU 662.A N ALA 658.A O no hydrogen 3.009 N/A GLU 663.A N THR 659.A O no hydrogen 3.109 N/A GLU 663.A N TRP 660.A O no hydrogen 2.972 N/A ASN 664.A N ILE 661.A O no hydrogen 2.982 N/A ASN 664.A ND2 TRP 660.A O no hydrogen 2.762 N/A LEU 668.A N ASN 664.A O no hydrogen 2.724 N/A ASP 669.A N TYR 665.A O no hydrogen 2.700 N/A ASP 670.A N LYS 666.A O no hydrogen 3.007 N/A LYS 671.A N THR 667.A O no hydrogen 3.080 N/A LEU 672.A N LEU 668.A O no hydrogen 2.807 N/A LYS 673.A N ASP 669.A O no hydrogen 2.899 N/A LEU 675.A N LEU 672.A O no hydrogen 2.633 N/A SER 679.A OG LYS 676.A O no hydrogen 3.485 N/A