Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2ice_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 3.A N HIS 25.A O no hydrogen 3.100 N/A TYR 4.A N SER 627.A OG no hydrogen 2.840 N/A SER 5.A N GLU 23.A O no hydrogen 3.047 N/A ILE 6.A N THR 625.A O no hydrogen 2.582 N/A ILE 7.A N VAL 21.A O no hydrogen 3.347 N/A THR 8.A N THR 623.A O no hydrogen 3.185 N/A THR 8.A N THR 623.A OG1 no hydrogen 3.104 N/A THR 8.A OG1 PRO 9.A O no hydrogen 3.023 N/A THR 8.A OG1 THR 623.A OG1 no hydrogen 3.151 N/A ASN 10.A N GLY 621.A O no hydrogen 2.885 N/A ASN 10.A ND2 SER 618.A OG no hydrogen 3.100 N/A LEU 12.A N LEU 100.A O no hydrogen 3.077 N/A ARG 13.A NH1 GLY 476.A O no hydrogen 3.446 N/A GLU 15.A N ILE 68.A O no hydrogen 2.750 N/A GLU 18.A N PHE 66.A O no hydrogen 3.009 N/A MET 20.A N VAL 64.A O no hydrogen 2.908 N/A VAL 21.A N ILE 7.A O no hydrogen 2.886 N/A LEU 22.A N GLY 62.A O no hydrogen 2.840 N/A ALA 24.A N HIS 60.A O no hydrogen 3.398 N/A HIS 25.A N MET 3.A O no hydrogen 2.898 N/A HIS 25.A NE2 TYR 512.A OH no hydrogen 3.159 N/A VAL 31.A N LEU 54.A O no hydrogen 2.884 N/A VAL 33.A N THR 52.A O no hydrogen 2.855 N/A THR 34.A N THR 89.A O no hydrogen 3.173 N/A VAL 35.A N GLU 50.A O no hydrogen 3.267 N/A THR 36.A N GLN 87.A O no hydrogen 2.722 N/A VAL 37.A N LEU 47.A O no hydrogen 2.640 N/A HIS 38.A N THR 85.A O no hydrogen 3.170 N/A PHE 40.A N PHE 83.A O no hydrogen 2.974 N/A LYS 44.A N ASP 39.A OD1 no hydrogen 2.887 N/A LYS 44.A NZ ASN 71.A OD1 no hydrogen 2.712 N/A VAL 46.A N VAL 37.A O no hydrogen 2.753 N/A LEU 47.A N VAL 37.A O no hydrogen 3.122 N/A THR 52.A N VAL 33.A O no hydrogen 2.768 N/A LEU 54.A N VAL 31.A O no hydrogen 3.152 N/A THR 55.A OG1 THR 58.A OG1 no hydrogen 3.037 N/A THR 58.A N THR 55.A O no hydrogen 3.453 N/A THR 58.A OG1 THR 55.A O no hydrogen 3.263 N/A THR 58.A OG1 THR 55.A OG1 no hydrogen 3.037 N/A ASN 59.A N PRO 56.A O no hydrogen 2.904 N/A HIS 60.A N THR 55.A O no hydrogen 2.749 N/A GLY 62.A N LEU 22.A O no hydrogen 3.035 N/A VAL 64.A N MET 20.A O no hydrogen 2.942 N/A THR 65.A OG1 GLU 17.A OE1 no hydrogen 3.146 N/A THR 65.A OG1 GLU 18.A O no hydrogen 3.505 N/A PHE 66.A N GLU 18.A O no hydrogen 2.946 N/A ALA 70.A N GLU 15.A OE2 no hydrogen 3.127 N/A ASN 71.A ND2 ALA 70.A O no hydrogen 2.861 N/A PHE 74.A N ASN 71.A O no hydrogen 3.088 N/A LYS 75.A N ARG 72.A O no hydrogen 3.178 N/A SER 76.A OG ARG 72.A O no hydrogen 3.441 N/A SER 76.A OG GLU 77.A OE2 no hydrogen 3.349 N/A LYS 78.A NZ LYS 75.A O no hydrogen 3.204 N/A ARG 80.A N LYS 78.A O no hydrogen 2.705 N/A ARG 80.A NH1 GLY 79.A O no hydrogen 2.615 N/A LYS 82.A NZ PHE 74.A O no hydrogen 2.878 N/A VAL 84.A N VAL 99.A O no hydrogen 3.099 N/A THR 85.A N HIS 38.A O no hydrogen 2.769 N/A VAL 86.A N LYS 97.A O no hydrogen 2.775 N/A GLN 87.A N THR 36.A O no hydrogen 2.880 N/A ALA 88.A N VAL 95.A O no hydrogen 2.930 N/A THR 89.A N THR 34.A O no hydrogen 2.869 N/A PHE 90.A N GLN 93.A O no hydrogen 2.706 N/A GLY 91.A N PRO 32.A O no hydrogen 2.659 N/A THR 92.A N PHE 90.A O no hydrogen 2.633 N/A GLN 93.A N PHE 90.A O no hydrogen 3.227 N/A VAL 95.A N ALA 88.A O no hydrogen 2.859 N/A LYS 97.A N VAL 86.A O no hydrogen 2.883 N/A LYS 97.A NZ GLN 631.A OE1 no hydrogen 2.728 N/A LYS 97.A NZ THR 632.A O no hydrogen 2.452 N/A VAL 99.A N VAL 84.A O no hydrogen 2.844 N/A VAL 101.A N LYS 82.A O no hydrogen 3.284 N/A SER 102.A N LEU 12.A O no hydrogen 3.145 N/A SER 105.A OG LEU 103.A O no hydrogen 3.120 N/A SER 105.A OG SER 191.A OG no hydrogen 2.882 N/A TYR 107.A N VAL 130.A O no hydrogen 2.863 N/A PHE 109.A N PHE 128.A O no hydrogen 3.104 N/A GLN 111.A N ARG 126.A O no hydrogen 2.959 N/A THR 112.A OG1 LYS 114.A O no hydrogen 2.874 N/A ASP 113.A N LEU 124.A O no hydrogen 2.961 N/A LYS 114.A N TYR 117.A OH no hydrogen 2.838 N/A LYS 114.A NZ ILE 116.A O no hydrogen 2.737 N/A LYS 114.A NZ TYR 205.A OH no hydrogen 3.188 N/A THR 115.A OG1 ASN 584.A O no hydrogen 2.732 N/A TYR 117.A N GLU 201.A O no hydrogen 2.819 N/A TYR 117.A OH ASP 113.A OD1 no hydrogen 2.427 N/A TYR 117.A OH LYS 114.A O no hydrogen 3.401 N/A THR 118.A N SER 121.A OG no hydrogen 3.159 N/A GLY 120.A N ILE 173.A O no hydrogen 3.111 N/A SER 121.A N THR 118.A O no hydrogen 3.039 N/A SER 121.A OG THR 118.A O no hydrogen 2.370 N/A THR 122.A OG1 ASP 172.A OD1 no hydrogen 2.951 N/A VAL 123.A N TRP 171.A O no hydrogen 2.741 N/A LEU 124.A N ASP 113.A OD1 no hydrogen 3.065 N/A TYR 125.A N LEU 169.A O no hydrogen 2.902 N/A ARG 126.A N GLN 111.A O no hydrogen 2.818 N/A ARG 126.A NE GLN 111.A OE1 no hydrogen 2.874 N/A ARG 126.A NH1 LEU 573.A O no hydrogen 3.456 N/A ARG 126.A NH2 GLN 111.A OE1 no hydrogen 3.344 N/A ARG 126.A NH2 LEU 573.A O no hydrogen 2.806 N/A ILE 127.A N LEU 167.A O no hydrogen 2.987 N/A PHE 128.A N PHE 109.A O no hydrogen 2.781 N/A THR 129.A N GLY 165.A O no hydrogen 2.773 N/A THR 129.A OG1 VAL 137.A O no hydrogen 2.901 N/A THR 129.A OG1 SER 160.A OG no hydrogen 2.939 N/A VAL 130.A N TYR 107.A O no hydrogen 3.195 N/A ASN 131.A N LEU 135.A O no hydrogen 3.056 N/A HIS 132.A N HIS 132.A ND1 no hydrogen 2.883 N/A LYS 133.A N ASN 131.A OD1 no hydrogen 3.015 N/A LEU 134.A N ASN 131.A O no hydrogen 3.053 N/A LEU 135.A N ASN 131.A OD1 no hydrogen 3.147 N/A VAL 137.A N THR 129.A O no hydrogen 3.183 N/A ARG 139.A N SER 160.A OG no hydrogen 3.048 N/A VAL 141.A N LEU 158.A O no hydrogen 2.807 N/A MET 142.A N TYR 187.A O no hydrogen 2.887 N/A VAL 143.A N ASP 156.A O no hydrogen 2.847 N/A ASN 144.A N ARG 185.A O no hydrogen 2.955 N/A ILE 145.A N LYS 154.A O no hydrogen 3.220 N/A GLU 146.A N LYS 183.A O no hydrogen 2.720 N/A ASN 147.A N ILE 151.A O no hydrogen 3.060 N/A GLU 149.A N ASN 147.A OD1 no hydrogen 2.850 N/A GLY 150.A N ASN 147.A O no hydrogen 2.890 N/A GLY 150.A N ASN 147.A OD1 no hydrogen 3.218 N/A ILE 151.A N ASN 147.A OD1 no hydrogen 3.318 N/A VAL 153.A N ILE 145.A O no hydrogen 3.012 N/A LYS 154.A NZ TYR 125.A OH no hydrogen 3.530 N/A LYS 154.A NZ ASP 156.A OD2 no hydrogen 2.861 N/A LYS 154.A NZ SER 170.A O no hydrogen 2.934 N/A LEU 158.A N VAL 141.A O no hydrogen 3.031 N/A SER 159.A OG ARG 139.A O no hydrogen 3.340 N/A SER 160.A N ARG 139.A O no hydrogen 3.033 N/A SER 160.A OG THR 129.A OG1 no hydrogen 2.939 N/A SER 160.A OG VAL 137.A O no hydrogen 2.988 N/A SER 160.A OG ARG 139.A O no hydrogen 3.343 N/A ASN 162.A ND2 GLN 161.A OE1 no hydrogen 3.467 N/A GLN 163.A NE2 ASN 162.A O no hydrogen 3.082 N/A VAL 166.A N GLN 163.A O no hydrogen 3.062 N/A LEU 167.A N ILE 127.A O no hydrogen 2.777 N/A LEU 169.A N TYR 125.A O no hydrogen 2.911 N/A TRP 171.A N VAL 123.A O no hydrogen 2.954 N/A ILE 173.A N SER 121.A O no hydrogen 3.115 N/A GLY 180.A N VAL 202.A O no hydrogen 2.901 N/A TRP 182.A NE1 ASN 178.A O no hydrogen 2.761 N/A LYS 183.A N GLU 146.A O no hydrogen 2.793 N/A LYS 183.A NZ GLN 181.A O no hydrogen 3.182 N/A ILE 184.A N THR 198.A O no hydrogen 2.780 N/A ARG 185.A N ASN 144.A O no hydrogen 2.854 N/A ALA 186.A N PHE 196.A O no hydrogen 2.755 N/A TYR 187.A N MET 142.A O no hydrogen 3.140 N/A TYR 188.A OH TYR 107.A O no hydrogen 3.218 N/A TYR 188.A OH VAL 130.A O no hydrogen 3.026 N/A GLU 189.A N THR 140.A O no hydrogen 2.930 N/A SER 191.A N TYR 188.A O no hydrogen 2.937 N/A SER 191.A OG LEU 103.A O no hydrogen 2.821 N/A SER 191.A OG SER 105.A OG no hydrogen 2.882 N/A GLN 193.A NE2 GLN 104.A OE1 no hydrogen 3.668 N/A GLN 194.A N SER 191.A O no hydrogen 3.048 N/A PHE 196.A N ALA 186.A O no hydrogen 2.671 N/A THR 198.A N ILE 184.A O no hydrogen 2.964 N/A PHE 200.A N TRP 182.A O no hydrogen 3.266 N/A GLU 201.A N THR 115.A O no hydrogen 3.248 N/A VAL 202.A N GLY 180.A O no hydrogen 2.933 N/A LYS 203.A N TYR 117.A O no hydrogen 2.971 N/A TYR 205.A OH ILE 116.A O no hydrogen 3.151 N/A SER 209.A N ASP 315.A OD2 no hydrogen 2.891 N/A SER 209.A OG ASP 315.A OD2 no hydrogen 2.978 N/A GLU 211.A N ARG 236.A O no hydrogen 2.886 N/A ILE 213.A N THR 234.A O no hydrogen 2.750 N/A GLU 215.A N THR 232.A O no hydrogen 3.102 N/A THR 217.A N GLU 230.A O no hydrogen 2.983 N/A THR 217.A OG1 GLU 230.A O no hydrogen 3.496 N/A TYR 221.A N PRO 325.A O no hydrogen 2.829 N/A TYR 221.A OH ASN 225.A O no hydrogen 2.910 N/A TYR 224.A OH GLU 295.A OE2 no hydrogen 2.479 N/A ASN 225.A N TYR 222.A O no hydrogen 2.969 N/A LYS 227.A NZ GLU 226.A OE1 no hydrogen 3.191 N/A LEU 229.A N LEU 280.A O no hydrogen 2.970 N/A VAL 231.A N VAL 278.A O no hydrogen 2.754 N/A THR 232.A N GLU 215.A O no hydrogen 2.893 N/A ILE 233.A N GLY 276.A O no hydrogen 2.713 N/A THR 234.A N ILE 213.A O no hydrogen 2.911 N/A ALA 235.A N GLY 274.A O no hydrogen 3.146 N/A ARG 236.A N GLU 211.A O no hydrogen 3.029 N/A PHE 237.A N LYS 241.A O no hydrogen 2.809 N/A LEU 238.A N SER 209.A O no hydrogen 3.291 N/A GLY 240.A N PHE 237.A O no hydrogen 2.762 N/A LYS 242.A NZ ASP 273.A O no hydrogen 3.366 N/A GLY 245.A N ILE 271.A O no hydrogen 3.097 N/A THR 246.A N ILE 309.A O no hydrogen 2.784 N/A ALA 247.A N ILE 269.A O no hydrogen 2.936 N/A PHE 248.A N THR 307.A O no hydrogen 2.811 N/A VAL 249.A N LYS 267.A O no hydrogen 3.313 N/A ILE 250.A N SER 305.A O no hydrogen 3.065 N/A PHE 251.A N SER 265.A OG no hydrogen 2.941 N/A ILE 253.A N ILE 260.A O no hydrogen 3.010 N/A GLN 254.A N SER 301.A O no hydrogen 2.846 N/A GLN 254.A NE2 GLY 256.A O no hydrogen 2.933 N/A ASP 255.A N GLN 258.A O no hydrogen 2.951 N/A GLN 258.A N ASP 255.A O no hydrogen 2.687 N/A ARG 259.A NE GLN 254.A OE1 no hydrogen 3.037 N/A ARG 259.A NH1 GLU 320.A OE2 no hydrogen 3.246 N/A ILE 260.A N ILE 253.A O no hydrogen 2.961 N/A LEU 262.A N PHE 251.A O no hydrogen 3.219 N/A SER 265.A N LEU 262.A O no hydrogen 3.004 N/A SER 265.A OG LEU 262.A O no hydrogen 2.642 N/A LEU 266.A N PRO 263.A O no hydrogen 3.278 N/A LYS 267.A N VAL 249.A O no hydrogen 2.989 N/A ILE 269.A N ALA 247.A O no hydrogen 2.935 N/A ILE 271.A N GLY 245.A O no hydrogen 2.688 N/A GLU 272.A N SER 275.A O no hydrogen 2.927 N/A ASP 273.A N GLU 244.A OE1 no hydrogen 3.187 N/A GLY 274.A N VAL 243.A O no hydrogen 2.921 N/A SER 275.A N GLU 272.A O no hydrogen 2.958 N/A GLY 276.A N ILE 233.A O no hydrogen 3.001 N/A VAL 278.A N VAL 231.A O no hydrogen 2.973 N/A LEU 280.A N LEU 229.A O no hydrogen 3.001 N/A LYS 283.A N SER 281.A OG no hydrogen 3.004 N/A VAL 284.A N SER 281.A OG no hydrogen 3.211 N/A LEU 285.A N SER 281.A O no hydrogen 3.137 N/A LEU 286.A N ARG 282.A O no hydrogen 3.137 N/A ASP 287.A N LYS 283.A O no hydrogen 2.935 N/A GLY 288.A N LEU 285.A O no hydrogen 3.081 N/A ARG 293.A N ASN 291.A O no hydrogen 2.327 N/A ASP 296.A N ARG 293.A O no hydrogen 3.140 N/A VAL 298.A N GLU 295.A O no hydrogen 3.313 N/A GLY 299.A N ILE 326.A O no hydrogen 3.069 N/A LYS 300.A N LEU 297.A O no hydrogen 3.317 N/A SER 301.A N GLN 254.A O no hydrogen 3.029 N/A LEU 302.A N ILE 324.A O no hydrogen 2.757 N/A TYR 303.A N GLY 252.A O no hydrogen 2.944 N/A VAL 304.A N ARG 321.A O no hydrogen 2.945 N/A SER 305.A N ILE 250.A O no hydrogen 3.088 N/A ALA 306.A N ALA 319.A O no hydrogen 2.873 N/A THR 307.A N PHE 248.A O no hydrogen 2.894 N/A VAL 308.A N VAL 317.A O no hydrogen 3.107 N/A ILE 309.A N THR 246.A O no hydrogen 2.767 N/A LEU 310.A N ASP 315.A O no hydrogen 3.509 N/A GLY 313.A N LEU 310.A O no hydrogen 2.737 N/A SER 314.A OG SER 312.A O no hydrogen 3.390 N/A VAL 317.A N VAL 308.A O no hydrogen 3.381 N/A ALA 319.A N ALA 306.A O no hydrogen 3.102 N/A ARG 321.A N VAL 304.A O no hydrogen 3.062 N/A ARG 321.A NE GLU 215.A OE2 no hydrogen 3.210 N/A ARG 321.A NH1 SER 322.A O no hydrogen 3.228 N/A ILE 324.A N LEU 302.A O no hydrogen 2.982 N/A ILE 326.A N LYS 300.A O no hydrogen 3.068 N/A VAL 327.A N TYR 221.A O no hydrogen 2.824 N/A SER 329.A OG GLU 413.A O no hydrogen 2.644 N/A GLN 332.A N THR 355.A O no hydrogen 2.817 N/A HIS 334.A N PHE 353.A O no hydrogen 2.632 N/A THR 338.A N PHE 335.A O no hydrogen 3.431 N/A THR 338.A OG1 MET 351.A O no hydrogen 2.847 N/A LYS 340.A NZ PHE 335.A O no hydrogen 2.817 N/A LYS 340.A NZ THR 338.A O no hydrogen 3.388 N/A PHE 342.A N LEU 422.A O no hydrogen 3.082 N/A LYS 343.A NZ HIS 435.A ND1 no hydrogen 3.162 N/A LYS 343.A NZ ASP 527.A OD1 no hydrogen 3.295 N/A LYS 343.A NZ ASP 527.A OD2 no hydrogen 3.376 N/A GLY 345.A N THR 391.A OG1 no hydrogen 3.202 N/A MET 346.A N LYS 343.A O no hydrogen 2.821 N/A PHE 348.A N ILE 389.A O no hydrogen 2.717 N/A LEU 350.A N LEU 387.A O no hydrogen 2.622 N/A MET 351.A N THR 338.A OG1 no hydrogen 2.776 N/A VAL 352.A N ALA 385.A O no hydrogen 3.017 N/A PHE 353.A N HIS 334.A O no hydrogen 3.013 N/A VAL 354.A N GLY 383.A O no hydrogen 2.872 N/A THR 355.A N GLN 332.A O no hydrogen 2.923 N/A THR 355.A OG1 ASN 356.A O no hydrogen 3.063 N/A ASN 356.A N SER 360.A O no hydrogen 2.812 N/A ASN 356.A ND2 SER 360.A O no hydrogen 3.650 N/A ASN 356.A ND2 PRO 361.A O no hydrogen 3.611 N/A GLY 359.A N ASN 356.A O no hydrogen 2.680 N/A SER 360.A N ASP 358.A OD1 no hydrogen 2.816 N/A SER 360.A OG ASP 358.A OD1 no hydrogen 2.774 N/A ALA 362.A N VAL 354.A O no hydrogen 3.119 N/A ARG 364.A N THR 379.A O no hydrogen 3.146 N/A VAL 367.A N SER 377.A O no hydrogen 3.421 N/A ALA 368.A N ARG 403.A O no hydrogen 2.843 N/A GLN 370.A N THR 401.A O no hydrogen 2.856 N/A GLU 372.A N VAL 369.A O no hydrogen 2.871 N/A VAL 375.A N ASP 373.A O no hydrogen 2.546 N/A SER 377.A N VAL 367.A O no hydrogen 3.350 N/A SER 377.A OG LYS 386.A O no hydrogen 2.725 N/A THR 379.A N VAL 365.A O no hydrogen 3.176 N/A GLN 380.A N VAL 384.A O no hydrogen 3.241 N/A GLN 380.A NE2 LEU 378.A O no hydrogen 3.199 N/A GLY 383.A N GLN 380.A O no hydrogen 2.756 N/A VAL 384.A N ASP 382.A OD1 no hydrogen 3.044 N/A ALA 385.A N VAL 352.A O no hydrogen 3.008 N/A LYS 386.A NZ VAL 438.A O no hydrogen 3.086 N/A LEU 387.A N LEU 350.A O no hydrogen 3.027 N/A ILE 389.A N PHE 348.A O no hydrogen 3.011 N/A THR 391.A N MET 346.A O no hydrogen 3.422 N/A THR 391.A OG1 LYS 343.A O no hydrogen 3.524 N/A THR 391.A OG1 MET 346.A O no hydrogen 3.021 N/A LEU 398.A N ALA 421.A O no hydrogen 3.113 N/A ILE 400.A N MET 419.A O no hydrogen 2.729 N/A THR 401.A OG1 THR 418.A OG1 no hydrogen 2.715 N/A VAL 402.A N ARG 417.A O no hydrogen 2.846 N/A ARG 403.A N ALA 368.A O no hydrogen 2.985 N/A THR 404.A N ALA 415.A O no hydrogen 3.203 N/A LYS 405.A N PRO 366.A O no hydrogen 3.265 N/A LYS 406.A N GLN 414.A OE1 no hydrogen 3.060 N/A LEU 409.A N LYS 406.A O no hydrogen 3.381 N/A SER 410.A N GLU 413.A OE2 no hydrogen 3.338 N/A SER 410.A OG GLU 413.A OE2 no hydrogen 2.686 N/A GLN 414.A N GLU 411.A O no hydrogen 3.329 N/A GLN 414.A NE2 LYS 406.A O no hydrogen 2.692 N/A GLN 414.A NE2 SER 410.A O no hydrogen 3.088 N/A ARG 417.A N VAL 402.A O no hydrogen 3.048 N/A THR 418.A OG1 ILE 400.A O no hydrogen 3.165 N/A THR 418.A OG1 THR 401.A OG1 no hydrogen 2.715 N/A MET 419.A N ILE 400.A O no hydrogen 2.729 N/A ALA 421.A N LEU 398.A O no hydrogen 2.724 N/A LEU 422.A N LYS 340.A O no hydrogen 3.143 N/A TYR 424.A N PHE 342.A O no hydrogen 2.963 N/A SER 425.A N LYS 611.A O no hydrogen 2.536 N/A SER 430.A OG GLU 523.A OE1 no hydrogen 2.763 N/A ASN 431.A N THR 426.A OG1 no hydrogen 3.123 N/A ASN 432.A N SER 430.A OG no hydrogen 3.283 N/A ASN 432.A ND2 GLU 523.A OE2 no hydrogen 3.063 N/A TYR 433.A N ARG 456.A O no hydrogen 2.838 N/A HIS 435.A N LEU 454.A O no hydrogen 2.820 N/A HIS 435.A NE2 ASP 349.A OD2 no hydrogen 2.959 N/A LEU 436.A N ASP 527.A OD2 no hydrogen 2.941 N/A SER 437.A N ASN 452.A O no hydrogen 3.044 N/A ARG 440.A NH2 ASP 382.A OD2 no hydrogen 3.082 N/A GLY 446.A N ILE 499.A O no hydrogen 2.729 N/A GLU 447.A N ARG 444.A O no hydrogen 3.380 N/A LEU 449.A N LEU 497.A O no hydrogen 2.640 N/A VAL 451.A N LEU 495.A O no hydrogen 2.759 N/A ASN 452.A N SER 437.A O no hydrogen 3.034 N/A ASN 452.A ND2 ASN 450.A O no hydrogen 3.349 N/A PHE 453.A N VAL 493.A O no hydrogen 2.738 N/A LEU 454.A N HIS 435.A O no hydrogen 2.807 N/A LEU 455.A N ASP 491.A O no hydrogen 2.774 N/A ARG 456.A NH1 GLY 345.A O no hydrogen 3.491 N/A ARG 456.A NH2 GLY 345.A O no hydrogen 2.721 N/A HIS 461.A N ASP 458.A O no hydrogen 3.304 N/A GLU 462.A N ASP 458.A O no hydrogen 3.347 N/A LYS 464.A N HIS 461.A O no hydrogen 3.111 N/A ILE 465.A N GLU 462.A O no hydrogen 3.081 N/A TYR 467.A OH HIS 25.A ND1 no hydrogen 3.345 N/A TYR 468.A N GLN 484.A O no hydrogen 2.807 N/A THR 469.A N TYR 512.A O no hydrogen 2.931 N/A THR 469.A OG1 GLU 23.A OE1 no hydrogen 3.239 N/A THR 469.A OG1 TYR 512.A O no hydrogen 3.545 N/A TYR 470.A N GLY 482.A O no hydrogen 3.293 N/A LEU 471.A N VAL 510.A O no hydrogen 2.674 N/A ILE 472.A N LYS 480.A O no hydrogen 2.663 N/A MET 473.A N ARG 508.A O no hydrogen 2.847 N/A ASN 474.A N ARG 477.A O no hydrogen 3.020 N/A ASN 474.A ND2 ILE 504.A O no hydrogen 2.760 N/A ASN 474.A ND2 SER 506.A O no hydrogen 3.114 N/A LYS 475.A NZ ASN 474.A OD1 no hydrogen 2.700 N/A LYS 475.A NZ ILE 504.A O no hydrogen 3.138 N/A ARG 477.A N ASN 474.A O no hydrogen 3.137 N/A ARG 477.A NH1 ASN 474.A OD1 no hydrogen 2.694 N/A LEU 479.A N ILE 472.A O no hydrogen 2.685 N/A LYS 480.A N ILE 472.A O no hydrogen 3.480 N/A GLY 482.A N TYR 470.A O no hydrogen 3.197 N/A ARG 483.A NH1 ASN 59.A O no hydrogen 3.448 N/A ARG 483.A NH2 GLU 23.A OE1 no hydrogen 3.173 N/A ARG 483.A NH2 ASN 59.A O no hydrogen 3.401 N/A GLN 484.A N TYR 468.A O no hydrogen 2.888 N/A GLN 484.A NE2 VAL 485.A O no hydrogen 3.140 N/A ARG 486.A N ARG 466.A O no hydrogen 2.860 N/A ARG 486.A NE GLN 490.A O no hydrogen 2.728 N/A ARG 486.A NH1 GLU 462.A O no hydrogen 2.910 N/A ARG 486.A NH1 GLU 462.A OE2 no hydrogen 3.531 N/A ARG 486.A NH1 ILE 465.A O no hydrogen 2.715 N/A ARG 486.A NH2 GLU 462.A OE2 no hydrogen 2.632 N/A ARG 486.A NH2 GLN 490.A O no hydrogen 2.801 N/A GLY 489.A N GLU 462.A OE2 no hydrogen 3.035 N/A GLN 490.A N GLU 487.A O no hydrogen 3.219 N/A GLN 490.A NE2 GLU 487.A O no hydrogen 3.270 N/A VAL 493.A N PHE 453.A O no hydrogen 3.070 N/A LEU 495.A N VAL 451.A O no hydrogen 2.839 N/A LEU 497.A N LEU 449.A O no hydrogen 2.782 N/A ILE 499.A N GLU 447.A O no hydrogen 3.017 N/A ASP 502.A N THR 500.A OG1 no hydrogen 3.089 N/A PHE 503.A N THR 500.A O no hydrogen 3.289 N/A ILE 504.A N THR 501.A O no hydrogen 3.269 N/A SER 506.A OG GLU 599.A OE2 no hydrogen 3.019 N/A PHE 507.A N VAL 531.A O no hydrogen 2.943 N/A ARG 508.A N MET 473.A O no hydrogen 2.718 N/A ARG 508.A NE THR 606.A O no hydrogen 3.316 N/A ARG 508.A NH1 ASP 602.A OD2 no hydrogen 2.599 N/A ARG 508.A NH2 THR 606.A O no hydrogen 2.883 N/A LEU 509.A N VAL 529.A O no hydrogen 2.971 N/A VAL 510.A N LEU 471.A O no hydrogen 2.864 N/A ALA 511.A N ASP 527.A O no hydrogen 2.691 N/A TYR 512.A N THR 469.A O no hydrogen 2.724 N/A TYR 512.A OH GLU 23.A OE2 no hydrogen 2.487 N/A TYR 512.A OH HIS 25.A NE2 no hydrogen 3.159 N/A TYR 513.A N VAL 525.A O no hydrogen 2.868 N/A TYR 513.A OH TYR 433.A O no hydrogen 2.508 N/A THR 514.A OG1 GLU 523.A O no hydrogen 2.717 N/A LEU 515.A N GLU 523.A O no hydrogen 2.983 N/A GLY 517.A N GLN 521.A O no hydrogen 3.100 N/A GLU 523.A N LEU 515.A O no hydrogen 2.941 N/A VAL 525.A N TYR 513.A O no hydrogen 2.950 N/A ALA 526.A N TYR 424.A OH no hydrogen 3.340 N/A ASP 527.A N ALA 511.A O no hydrogen 2.802 N/A VAL 529.A N LEU 509.A O no hydrogen 2.841 N/A VAL 531.A N PHE 507.A O no hydrogen 2.894 N/A LYS 534.A N LEU 443.A O no hydrogen 2.698 N/A SER 536.A OG CYS 537.A O no hydrogen 2.867 N/A CYS 537.A SG GLN 591.A OE1 no hydrogen 3.255 N/A SER 540.A N ASP 566.A OD2 no hydrogen 3.393 N/A VAL 542.A N GLU 564.A O no hydrogen 3.087 N/A LYS 544.A N LYS 562.A O no hydrogen 3.122 N/A LYS 544.A NZ GLU 564.A OE1 no hydrogen 3.468 N/A SER 545.A OG GLN 547.A O no hydrogen 2.952 N/A SER 545.A OG GLU 549.A O no hydrogen 3.430 N/A GLN 547.A N THR 560.A O no hydrogen 3.313 N/A VAL 554.A N GLN 557.A OE1 no hydrogen 3.081 N/A GLN 557.A N VAL 554.A O no hydrogen 3.020 N/A LYS 562.A N LYS 544.A O no hydrogen 2.845 N/A GLU 564.A N VAL 542.A O no hydrogen 3.009 N/A ALA 569.A N ASP 566.A O no hydrogen 3.054 N/A GLY 579.A N ASP 577.A OD1 no hydrogen 2.685 N/A VAL 580.A N ASP 577.A O no hydrogen 3.088 N/A PHE 581.A N LYS 578.A O no hydrogen 3.156 N/A VAL 582.A N GLY 579.A O no hydrogen 2.993 N/A LEU 583.A N VAL 580.A O no hydrogen 3.000 N/A ASN 584.A N VAL 580.A O no hydrogen 2.984 N/A ASN 584.A ND2 GLU 201.A OE1 no hydrogen 3.200 N/A LYS 586.A N ASN 584.A OD1 no hydrogen 3.178 N/A LYS 593.A NZ LYS 588.A O no hydrogen 2.981 N/A ILE 594.A N THR 590.A O no hydrogen 3.081 N/A TRP 595.A N GLN 591.A O no hydrogen 3.195 N/A ASP 596.A N SER 592.A O no hydrogen 3.072 N/A VAL 597.A N LYS 593.A O no hydrogen 2.915 N/A VAL 598.A N ILE 594.A O no hydrogen 2.949 N/A GLU 599.A N TRP 595.A O no hydrogen 2.689 N/A LYS 600.A N ASP 596.A O no hydrogen 3.081 N/A LYS 600.A NZ ASP 596.A OD2 no hydrogen 2.834 N/A ALA 601.A N VAL 597.A O no hydrogen 3.107 N/A ALA 601.A N VAL 598.A O no hydrogen 3.159 N/A CYS 605.A N ASP 619.A O no hydrogen 3.124 N/A CYS 605.A SG ILE 603.A O no hydrogen 4.014 N/A SER 609.A N SER 528.A O no hydrogen 3.472 N/A SER 609.A N SER 528.A OG no hydrogen 3.286 N/A SER 609.A OG ASP 527.A OD1 no hydrogen 3.370 N/A GLY 615.A N ASP 612.A OD1 no hydrogen 2.600 N/A VAL 616.A N ASP 612.A O no hydrogen 3.081 N/A PHE 617.A N TYR 613.A O no hydrogen 3.087 N/A SER 618.A N ALA 614.A O no hydrogen 3.321 N/A SER 618.A OG LEU 622.A O no hydrogen 3.337 N/A ASP 619.A N GLY 615.A O no hydrogen 2.858 N/A ALA 620.A N VAL 616.A O no hydrogen 3.262 N/A GLY 621.A N SER 618.A O no hydrogen 2.820 N/A LEU 622.A N PHE 617.A O no hydrogen 2.921 N/A THR 623.A N THR 8.A O no hydrogen 2.573 N/A THR 623.A OG1 THR 8.A O no hydrogen 2.686 N/A THR 623.A OG1 THR 8.A OG1 no hydrogen 3.151 N/A PHE 624.A N THR 632.A OG1 no hydrogen 3.187 N/A THR 625.A N ILE 6.A O no hydrogen 3.044 N/A SER 626.A OG GLN 630.A O no hydrogen 3.234 N/A SER 626.A OG GLN 630.A OE1 no hydrogen 3.087 N/A SER 627.A N TYR 4.A O no hydrogen 2.753 N/A SER 627.A OG TYR 4.A O no hydrogen 3.149 N/A GLY 629.A N SER 626.A O no hydrogen 3.014 N/A GLN 630.A N SER 626.A OG no hydrogen 2.989 N/A THR 632.A N PHE 624.A O no hydrogen 2.851 N/A THR 632.A OG1 PHE 624.A O no hydrogen 3.426 N/A GLN 634.A NE2 VAL 98.A O no hydrogen 3.017 N/A ARG 635.A NE GLU 637.A O no hydrogen 3.043 N/A ARG 635.A NH1 ASN 10.A OD1 no hydrogen 3.214 N/A ARG 635.A NH1 ILE 603.A O no hydrogen 2.945 N/A CYS 640.A SG ASP 602.A O no hydrogen 3.727 N/A