Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3n85_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A N HIS 453.A NE2 no hydrogen 3.036 N/A CYS 4.A N VAL 33.A O no hydrogen 2.936 N/A CYS 4.A SG THR 5.A O no hydrogen 3.569 N/A CYS 4.A SG LEU 27.A O no hydrogen 3.798 N/A CYS 4.A SG VAL 33.A O no hydrogen 4.005 N/A THR 7.A N ASN 37.A O no hydrogen 3.024 N/A THR 7.A OG1 GLU 39.A OE1 no hydrogen 3.081 N/A ASP 8.A N ASN 401.A O no hydrogen 3.301 N/A MET 9.A N GLU 39.A OE1 no hydrogen 2.805 N/A LYS 10.A N GLU 39.A OE2 no hydrogen 3.019 N/A LYS 10.A NZ TYR 61.A OH no hydrogen 3.308 N/A ARG 12.A N MET 9.A O no hydrogen 2.978 N/A SER 16.A OG THR 19.A OG1 no hydrogen 2.832 N/A THR 19.A OG1 SER 16.A OG no hydrogen 2.832 N/A HIS 20.A N PRO 17.A O no hydrogen 3.474 N/A HIS 20.A NE2 THR 41.A O no hydrogen 3.271 N/A MET 23.A N THR 19.A O no hydrogen 3.378 N/A LEU 24.A N HIS 20.A O no hydrogen 3.211 N/A ARG 25.A N LEU 21.A O no hydrogen 2.778 N/A HIS 26.A N ASP 22.A O no hydrogen 2.996 N/A LEU 27.A N MET 23.A O no hydrogen 2.973 N/A TYR 28.A N LEU 24.A O no hydrogen 2.955 N/A GLN 29.A N ARG 25.A O no hydrogen 2.828 N/A CYS 31.A N TYR 28.A O no hydrogen 2.829 N/A CYS 31.A SG GLN 2.A O no hydrogen 3.834 N/A CYS 31.A SG VAL 33.A O no hydrogen 3.375 N/A GLN 32.A N GLN 2.A O no hydrogen 2.637 N/A VAL 33.A N GLN 2.A O no hydrogen 2.914 N/A VAL 34.A N GLU 57.A O no hydrogen 2.891 N/A GLN 35.A N CYS 4.A O no hydrogen 2.673 N/A GLY 36.A N VAL 34.A O no hydrogen 2.792 N/A ASN 37.A ND2 GLN 84.A OE1 no hydrogen 3.476 N/A LEU 38.A N TYR 61.A O no hydrogen 2.894 N/A LEU 40.A N LEU 63.A O no hydrogen 2.887 N/A TYR 42.A N ALA 65.A O no hydrogen 3.205 N/A LEU 43.A N ASN 67.A OD1 no hydrogen 2.835 N/A ALA 47.A N PRO 44.A O no hydrogen 3.366 N/A LEU 52.A N LEU 49.A O no hydrogen 3.139 N/A GLN 53.A N SER 50.A O no hydrogen 3.448 N/A ILE 55.A N LEU 52.A O no hydrogen 3.026 N/A GLN 56.A N GLN 32.A O no hydrogen 2.698 N/A GLU 57.A N GLN 32.A O no hydrogen 3.124 N/A VAL 58.A N ILE 79.A O no hydrogen 2.876 N/A GLN 59.A N VAL 34.A O no hydrogen 3.020 N/A GLY 60.A N GLY 36.A O no hydrogen 2.843 N/A TYR 61.A N ASN 37.A OD1 no hydrogen 3.243 N/A TYR 61.A OH GLU 39.A OE2 no hydrogen 2.921 N/A VAL 62.A N ALA 91.A O no hydrogen 2.859 N/A LEU 63.A N LEU 38.A O no hydrogen 2.810 N/A ILE 64.A N ALA 93.A O no hydrogen 2.834 N/A ALA 65.A N LEU 40.A O no hydrogen 3.206 N/A HIS 66.A N LEU 95.A O no hydrogen 3.022 N/A ASN 67.A N ASN 97.A OD1 no hydrogen 2.876 N/A ASN 67.A ND2 LEU 40.A O no hydrogen 2.987 N/A ASN 67.A ND2 ASN 97.A OD1 no hydrogen 2.988 N/A GLN 68.A N LEU 43.A O no hydrogen 2.850 N/A VAL 69.A N LEU 43.A O no hydrogen 3.211 N/A LEU 74.A N VAL 72.A O no hydrogen 2.810 N/A LEU 77.A N LEU 74.A O no hydrogen 3.286 N/A ARG 78.A N GLN 56.A O no hydrogen 2.746 N/A ARG 78.A NH1 LEU 221.A O no hydrogen 2.957 N/A VAL 80.A N GLU 115.A O no hydrogen 3.044 N/A ARG 81.A N VAL 58.A O no hydrogen 2.772 N/A ARG 81.A NE GLU 57.A OE2 no hydrogen 3.343 N/A ARG 81.A NH1 CYS 223.A O no hydrogen 3.210 N/A ARG 81.A NH2 GLU 57.A OE2 no hydrogen 2.876 N/A ARG 81.A NH2 CYS 223.A O no hydrogen 2.893 N/A GLY 82.A N GLY 60.A O no hydrogen 3.031 N/A THR 83.A N GLN 59.A O no hydrogen 2.931 N/A THR 83.A OG1 GLN 59.A O no hydrogen 2.994 N/A PHE 86.A N TYR 90.A O no hydrogen 2.669 N/A ASP 88.A N LEU 85.A O no hydrogen 3.380 N/A ASN 89.A N PHE 86.A O no hydrogen 3.000 N/A ASN 89.A ND2 GLU 87.A O no hydrogen 3.087 N/A TYR 90.A N PHE 86.A O no hydrogen 2.829 N/A ALA 91.A N GLY 120.A O no hydrogen 2.793 N/A ALA 93.A N VAL 62.A O no hydrogen 2.886 N/A VAL 94.A N LEU 122.A O no hydrogen 2.879 N/A LEU 95.A N ILE 64.A O no hydrogen 2.998 N/A ASP 96.A N GLN 124.A O no hydrogen 3.069 N/A ASN 97.A N ASN 126.A OD1 no hydrogen 2.993 N/A ASN 97.A ND2 ILE 64.A O no hydrogen 3.263 N/A ASN 97.A ND2 ASN 126.A OD1 no hydrogen 2.941 N/A GLY 104.A N GLN 68.A O no hydrogen 2.964 N/A ARG 106.A N ARG 70.A O no hydrogen 2.988 N/A GLN 109.A N TRP 173.A O no hydrogen 3.123 N/A ARG 111.A NE ASP 179.A OD2 no hydrogen 3.176 N/A ARG 111.A NH1 GLU 178.A OE1 no hydrogen 3.169 N/A ARG 111.A NH2 ASP 179.A OD2 no hydrogen 2.930 N/A SER 112.A OG GLN 75.A O no hydrogen 2.678 N/A LEU 113.A N LEU 110.A O no hydrogen 3.127 N/A THR 114.A N ARG 78.A O no hydrogen 2.976 N/A THR 114.A OG1 SER 112.A O no hydrogen 3.319 N/A THR 114.A OG1 ALA 210.A O no hydrogen 2.779 N/A GLU 115.A N ARG 78.A O no hydrogen 3.328 N/A ILE 116.A N ILE 140.A O no hydrogen 2.907 N/A LEU 117.A N VAL 80.A O no hydrogen 3.133 N/A GLY 120.A N ASN 89.A O no hydrogen 2.923 N/A LEU 122.A N LEU 92.A O no hydrogen 2.951 N/A ILE 123.A N LEU 151.A O no hydrogen 2.937 N/A GLN 124.A N VAL 94.A O no hydrogen 2.962 N/A ARG 125.A N ASP 153.A OD1 no hydrogen 3.163 N/A ARG 125.A NE ASP 96.A OD1 no hydrogen 3.336 N/A ARG 125.A NE ASP 96.A OD2 no hydrogen 3.307 N/A ARG 125.A NH1 GLN 124.A OE1 no hydrogen 3.430 N/A ASN 126.A ND2 VAL 94.A O no hydrogen 3.097 N/A LEU 129.A N ASN 126.A O no hydrogen 2.933 N/A CYS 130.A N ARG 106.A O no hydrogen 2.811 N/A TYR 131.A OH HIS 161.A O no hydrogen 2.924 N/A GLN 132.A N GLN 132.A OE1 no hydrogen 2.717 N/A GLN 132.A NE2 ASP 153.A O no hydrogen 3.006 N/A THR 134.A N TYR 131.A O no hydrogen 2.943 N/A LEU 136.A N GLN 181.A OE1 no hydrogen 2.767 N/A TRP 137.A NE1 GLN 132.A O no hydrogen 3.149 N/A ASP 139.A N LEU 136.A O no hydrogen 3.204 N/A PHE 141.A N TRP 137.A O no hydrogen 3.075 N/A HIS 142.A N ILE 116.A O no hydrogen 3.191 N/A HIS 142.A N GLN 146.A OE1 no hydrogen 3.146 N/A HIS 142.A ND1 GLU 115.A OE2 no hydrogen 3.128 N/A LYS 143.A N GLN 146.A OE1 no hydrogen 2.855 N/A GLN 146.A N LYS 143.A O no hydrogen 3.427 N/A GLN 146.A NE2 ILE 116.A O no hydrogen 2.951 N/A GLN 146.A NE2 GLY 119.A O no hydrogen 2.839 N/A LEU 147.A N ASN 144.A O no hydrogen 2.920 N/A ALA 148.A N ASN 145.A O no hydrogen 2.987 N/A LEU 149.A N GLN 146.A O no hydrogen 3.288 N/A THR 150.A N LEU 147.A O no hydrogen 3.219 N/A THR 150.A OG1 GLN 146.A O no hydrogen 3.014 N/A THR 150.A OG1 LEU 147.A O no hydrogen 3.538 N/A LEU 151.A N VAL 121.A O no hydrogen 3.006 N/A ASP 153.A N ILE 123.A O no hydrogen 2.757 N/A ASN 155.A N ASP 153.A OD2 no hydrogen 2.919 N/A ARG 156.A NE LEU 129.A O no hydrogen 2.672 N/A ARG 156.A NH2 LEU 129.A O no hydrogen 3.524 N/A SER 157.A N PRO 127.A O no hydrogen 2.716 N/A ARG 158.A NE GLN 128.A O no hydrogen 2.966 N/A ARG 158.A NH2 ARG 106.A O no hydrogen 3.274 N/A ARG 158.A NH2 GLN 128.A O no hydrogen 3.207 N/A MET 166.A N SER 164.A OG no hydrogen 3.255 N/A CYS 167.A N SER 164.A O no hydrogen 2.756 N/A CYS 167.A SG ARG 171.A O no hydrogen 3.887 N/A LYS 168.A NZ MET 166.A O no hydrogen 3.152 N/A ARG 171.A NE THR 134.A O no hydrogen 2.936 N/A CYS 172.A SG GLY 174.A O no hydrogen 3.218 N/A TRP 173.A N ASP 179.A O no hydrogen 2.653 N/A GLU 175.A N GLU 107.A OE2 no hydrogen 3.034 N/A SER 176.A N ASP 179.A OD1 no hydrogen 3.418 N/A GLU 178.A N SER 176.A OG no hydrogen 3.207 N/A ASP 179.A N SER 176.A O no hydrogen 3.398 N/A CYS 180.A SG MET 166.A O no hydrogen 3.951 N/A CYS 180.A SG SER 177.A O no hydrogen 3.394 N/A GLN 181.A N ARG 171.A O no hydrogen 2.798 N/A GLN 181.A NE2 LEU 136.A O no hydrogen 3.203 N/A THR 184.A N ASP 139.A OD1 no hydrogen 2.778 N/A THR 184.A OG1 ASP 139.A OD1 no hydrogen 3.540 N/A THR 184.A OG1 ALA 210.A O no hydrogen 3.400 N/A ARG 185.A N ASP 139.A OD2 no hydrogen 2.927 N/A ARG 185.A NE PHE 141.A O no hydrogen 2.814 N/A ARG 185.A NH2 LYS 138.A O no hydrogen 2.682 N/A ARG 185.A NH2 PHE 141.A O no hydrogen 3.284 N/A ARG 185.A NH2 ASN 144.A OD1 no hydrogen 2.830 N/A THR 186.A N ASP 139.A OD2 no hydrogen 2.852 N/A THR 186.A OG1 ASP 139.A OD2 no hydrogen 3.197 N/A CYS 188.A SG THR 184.A O no hydrogen 3.189 N/A CYS 188.A SG ARG 185.A O no hydrogen 3.292 N/A ARG 194.A NE GLU 115.A OE1 no hydrogen 2.943 N/A ARG 194.A NH1 ASP 139.A O no hydrogen 2.932 N/A ARG 194.A NH1 THR 184.A OG1 no hydrogen 2.941 N/A ARG 194.A NH2 GLU 115.A OE2 no hydrogen 2.851 N/A ARG 194.A NH2 ASP 139.A O no hydrogen 3.269 N/A ARG 194.A NH2 ILE 140.A O no hydrogen 3.247 N/A CYS 195.A N THR 184.A O no hydrogen 2.950 N/A CYS 195.A SG THR 184.A O no hydrogen 3.880 N/A CYS 195.A SG GLY 197.A O no hydrogen 3.223 N/A LYS 196.A N ASP 202.A O no hydrogen 2.816 N/A LEU 199.A N ASP 202.A OD1 no hydrogen 3.224 N/A ASP 202.A N LEU 199.A O no hydrogen 2.816 N/A CYS 203.A N PRO 200.A O no hydrogen 3.385 N/A CYS 203.A SG PRO 200.A O no hydrogen 3.362 N/A CYS 204.A N ARG 194.A O no hydrogen 2.857 N/A CYS 204.A SG ARG 194.A O no hydrogen 3.327 N/A GLN 207.A N HIS 205.A ND1 no hydrogen 3.075 N/A CYS 208.A N HIS 205.A O no hydrogen 2.839 N/A ALA 209.A N ALA 222.A O no hydrogen 2.645 N/A ALA 210.A N GLU 115.A OE1 no hydrogen 2.772 N/A GLY 211.A N ALA 209.A O no hydrogen 2.678 N/A CYS 212.A SG GLY 214.A O no hydrogen 3.254 N/A THR 213.A N ASP 219.A O no hydrogen 2.896 N/A LYS 216.A N ASP 219.A OD2 no hydrogen 2.971 N/A ASP 219.A N LYS 216.A O no hydrogen 3.060 N/A CYS 220.A SG HIS 217.A O no hydrogen 4.029 N/A LEU 221.A N GLY 211.A O no hydrogen 2.816 N/A CYS 223.A SG PHE 226.A O no hydrogen 3.564 N/A LEU 224.A N GLN 207.A O no hydrogen 3.035 N/A PHE 226.A N GLU 233.A O no hydrogen 3.215 N/A ASN 227.A N ALA 256.A O no hydrogen 3.021 N/A HIS 228.A N ILE 231.A O no hydrogen 2.810 N/A HIS 228.A ND1 GLU 233.A OE2 no hydrogen 2.927 N/A GLY 230.A N ASN 227.A OD1 no hydrogen 2.950 N/A ILE 231.A N HIS 228.A O no hydrogen 3.116 N/A CYS 232.A N HIS 217.A O no hydrogen 3.059 N/A GLU 233.A N PHE 226.A O no hydrogen 2.967 N/A THR 239.A OG1 THR 241.A O no hydrogen 3.390 N/A ARG 251.A NE HIS 228.A NE2 no hydrogen 3.341 N/A TYR 252.A N VAL 259.A O no hydrogen 2.787 N/A THR 253.A N GLY 272.A O no hydrogen 3.173 N/A PHE 254.A N SER 257.A O no hydrogen 2.964 N/A SER 257.A N PHE 254.A O no hydrogen 3.072 N/A SER 257.A OG PHE 254.A O no hydrogen 3.209 N/A CYS 258.A N ASN 227.A O no hydrogen 3.107 N/A VAL 259.A N TYR 252.A O no hydrogen 2.864 N/A TYR 264.A OH GLU 423.A OE2 no hydrogen 3.146 N/A ASN 265.A ND2 ARG 395.A O no hydrogen 2.741 N/A TYR 266.A N PRO 263.A O no hydrogen 3.184 N/A LEU 267.A N THR 275.A O no hydrogen 2.733 N/A SER 268.A OG GLN 292.A O no hydrogen 3.557 N/A THR 269.A N SER 273.A O no hydrogen 2.915 N/A THR 269.A OG1 SER 273.A O no hydrogen 3.143 N/A THR 269.A OG1 SER 273.A OG no hydrogen 3.398 N/A GLY 272.A N THR 269.A O no hydrogen 2.982 N/A SER 273.A OG THR 269.A OG1 no hydrogen 3.398 N/A CYS 274.A N THR 253.A O no hydrogen 3.121 N/A THR 275.A N LEU 267.A O no hydrogen 2.957 N/A THR 275.A OG1 VAL 277.A O no hydrogen 2.694 N/A VAL 277.A N THR 275.A OG1 no hydrogen 3.066 N/A CYS 278.A SG GLN 283.A O no hydrogen 3.182 N/A GLN 283.A N GLU 295.A O no hydrogen 3.073 N/A VAL 285.A N ARG 293.A O no hydrogen 3.159 N/A THR 286.A OG1 GLN 292.A OE1 no hydrogen 3.546 N/A ALA 287.A N THR 291.A O no hydrogen 2.759 N/A GLY 290.A N ALA 287.A O no hydrogen 2.855 N/A ARG 293.A N VAL 285.A O no hydrogen 3.258 N/A CYS 294.A N SER 268.A O no hydrogen 2.985 N/A CYS 297.A N HIS 281.A O no hydrogen 2.753 N/A CYS 297.A SG HIS 281.A O no hydrogen 3.432 N/A CYS 297.A SG GLN 283.A OE1 no hydrogen 3.486 N/A GLY 307.A N PHE 334.A O no hydrogen 2.942 N/A LEU 308.A N SER 336.A O no hydrogen 2.871 N/A GLY 309.A N LEU 313.A O no hydrogen 2.874 N/A LEU 313.A N MET 310.A O no hydrogen 3.037 N/A ARG 314.A N GLU 311.A O no hydrogen 3.260 N/A VAL 319.A N ALA 338.A O no hydrogen 2.783 N/A THR 320.A N ASN 323.A OD1 no hydrogen 2.936 N/A SER 321.A OG ALA 353.A O no hydrogen 2.468 N/A ALA 322.A N THR 320.A OG1 no hydrogen 3.016 N/A ASN 323.A N THR 320.A O no hydrogen 3.389 N/A GLU 326.A N ASN 323.A O no hydrogen 3.205 N/A PHE 327.A N ILE 324.A O no hydrogen 3.338 N/A ALA 328.A N GLN 325.A O no hydrogen 3.282 N/A CYS 330.A N PHE 327.A O no hydrogen 3.186 N/A CYS 330.A SG GLU 326.A O no hydrogen 3.832 N/A LYS 332.A NZ GLU 284.A OE2 no hydrogen 3.556 N/A LYS 332.A NZ GLU 368.A OE1 no hydrogen 3.312 N/A LYS 332.A NZ GLU 368.A OE2 no hydrogen 3.500 N/A ILE 333.A N GLU 368.A O no hydrogen 2.975 N/A PHE 334.A N CYS 305.A O no hydrogen 2.685 N/A GLY 335.A N THR 370.A OG1 no hydrogen 2.795 N/A SER 336.A N LEU 308.A O no hydrogen 3.057 N/A LEU 337.A N TYR 372.A O no hydrogen 2.795 N/A PHE 339.A N TYR 374.A O no hydrogen 2.769 N/A LEU 340.A N SER 343.A OG no hydrogen 3.146 N/A SER 343.A N LEU 340.A O no hydrogen 2.709 N/A SER 343.A OG VAL 319.A O no hydrogen 2.642 N/A PHE 344.A N PRO 341.A O no hydrogen 3.263 N/A ASP 345.A N PRO 341.A O no hydrogen 3.001 N/A GLY 346.A N GLU 342.A O no hydrogen 3.136 N/A ALA 349.A N ASP 347.A OD2 no hydrogen 3.290 N/A SER 350.A N ASP 347.A OD1 no hydrogen 2.969 N/A SER 350.A OG ASP 347.A OD1 no hydrogen 3.253 N/A THR 352.A N SER 350.A O no hydrogen 2.727 N/A THR 352.A OG1 ASP 347.A O no hydrogen 3.022 N/A THR 352.A OG1 SER 350.A O no hydrogen 3.422 N/A LEU 355.A N SER 343.A O no hydrogen 3.129 N/A GLN 356.A N GLN 359.A OE1 no hydrogen 2.781 N/A GLN 359.A N GLN 356.A O no hydrogen 3.119 N/A LEU 360.A N PRO 357.A O no hydrogen 2.999 N/A GLN 361.A N GLU 358.A O no hydrogen 3.451 N/A VAL 362.A N GLN 359.A O no hydrogen 3.477 N/A PHE 363.A N LEU 360.A O no hydrogen 3.184 N/A GLU 364.A N GLN 361.A O no hydrogen 2.927 N/A THR 365.A OG1 CYS 330.A O no hydrogen 3.359 N/A THR 365.A OG1 VAL 362.A O no hydrogen 3.546 N/A LEU 366.A N PHE 363.A O no hydrogen 3.076 N/A GLU 367.A N LYS 331.A O no hydrogen 2.688 N/A GLU 368.A N LYS 331.A O no hydrogen 3.152 N/A ILE 369.A N VAL 393.A O no hydrogen 3.055 N/A THR 370.A N ILE 333.A O no hydrogen 3.211 N/A THR 370.A OG1 ILE 333.A O no hydrogen 3.450 N/A GLY 371.A N GLY 335.A O no hydrogen 2.749 N/A LEU 373.A N SER 405.A O no hydrogen 2.926 N/A TYR 374.A N LEU 337.A O no hydrogen 2.805 N/A ILE 375.A N THR 407.A O no hydrogen 2.870 N/A SER 376.A N PHE 339.A O no hydrogen 2.879 N/A SER 376.A OG PHE 339.A O no hydrogen 3.212 N/A TRP 378.A NE1 ASP 384.A O no hydrogen 3.083 N/A LEU 382.A N PRO 379.A O no hydrogen 3.134 N/A LEU 385.A N LEU 416.A O no hydrogen 2.857 N/A SER 386.A N ASP 384.A OD1 no hydrogen 3.117 N/A SER 386.A OG ASP 384.A OD2 no hydrogen 2.802 N/A PHE 388.A N LEU 385.A O no hydrogen 2.933 N/A GLN 389.A N SER 386.A O no hydrogen 2.940 N/A ASN 390.A ND2 GLU 364.A O no hydrogen 2.660 N/A LEU 391.A N PHE 388.A O no hydrogen 3.282 N/A GLN 392.A N GLU 367.A O no hydrogen 2.671 N/A VAL 393.A N GLU 367.A O no hydrogen 3.286 N/A ILE 394.A N GLU 423.A O no hydrogen 2.994 N/A ARG 395.A N ILE 369.A O no hydrogen 2.785 N/A ARG 395.A NE GLU 368.A OE1 no hydrogen 2.851 N/A ARG 395.A NH2 GLU 368.A OE1 no hydrogen 3.499 N/A GLY 396.A N GLY 371.A O no hydrogen 3.037 N/A ARG 397.A N THR 370.A O no hydrogen 2.877 N/A ARG 397.A NE ASN 265.A O no hydrogen 2.808 N/A ARG 397.A NH1 GLU 284.A OE2 no hydrogen 3.521 N/A HIS 400.A N TYR 404.A O no hydrogen 2.795 N/A GLY 402.A N LEU 399.A O no hydrogen 2.886 N/A ALA 403.A N HIS 400.A O no hydrogen 3.069 N/A TYR 404.A N HIS 400.A O no hydrogen 3.066 N/A SER 405.A N LEU 428.A O no hydrogen 2.940 N/A SER 405.A OG SER 426.A O no hydrogen 3.074 N/A SER 405.A OG LEU 428.A O no hydrogen 3.562 N/A THR 407.A N LEU 373.A O no hydrogen 3.110 N/A LEU 408.A N LEU 430.A O no hydrogen 2.809 N/A GLN 409.A N ILE 375.A O no hydrogen 3.124 N/A GLY 410.A N HIS 432.A O no hydrogen 3.412 N/A LEU 411.A N ASN 434.A OD1 no hydrogen 3.075 N/A SER 414.A N PRO 383.A O no hydrogen 2.871 N/A TRP 415.A NE1 ASP 384.A OD2 no hydrogen 2.830 N/A LEU 416.A N TRP 484.A O no hydrogen 3.179 N/A GLY 417.A N TRP 484.A O no hydrogen 2.932 N/A SER 420.A OG GLN 389.A O no hydrogen 2.973 N/A LEU 421.A N LEU 418.A O no hydrogen 3.164 N/A ARG 422.A N GLN 392.A O no hydrogen 2.865 N/A ARG 422.A NE GLN 392.A OE1 no hydrogen 3.445 N/A ARG 422.A NH2 GLN 392.A OE1 no hydrogen 3.358 N/A GLU 423.A N GLN 392.A O no hydrogen 3.149 N/A LEU 424.A N LEU 448.A O no hydrogen 2.691 N/A GLY 425.A N ILE 394.A O no hydrogen 2.946 N/A SER 426.A OG ARG 395.A O no hydrogen 3.404 N/A LEU 428.A N ALA 403.A O no hydrogen 2.982 N/A ALA 429.A N ALA 455.A O no hydrogen 3.137 N/A LEU 430.A N LEU 406.A O no hydrogen 2.739 N/A ILE 431.A N LEU 457.A O no hydrogen 2.939 N/A HIS 432.A N LEU 408.A O no hydrogen 2.998 N/A HIS 433.A N THR 459.A O no hydrogen 2.901 N/A ASN 434.A N ASN 461.A OD1 no hydrogen 3.170 N/A ASN 434.A ND2 LEU 408.A O no hydrogen 3.223 N/A ASN 434.A ND2 ASN 461.A OD1 no hydrogen 3.096 N/A THR 435.A OG1 HIS 436.A ND1 no hydrogen 3.305 N/A LEU 437.A N ASN 434.A O no hydrogen 2.982 N/A CYS 438.A N SER 414.A O no hydrogen 2.951 N/A THR 442.A OG1 CYS 483.A O no hydrogen 2.972 N/A TRP 445.A N VAL 443.A O no hydrogen 3.099 N/A TRP 445.A NE1 VAL 440.A O no hydrogen 2.890 N/A GLN 447.A N PRO 444.A O no hydrogen 2.980 N/A LEU 448.A N TRP 445.A O no hydrogen 2.907 N/A PHE 449.A N TRP 445.A O no hydrogen 3.033 N/A ARG 450.A N GLN 454.A OE1 no hydrogen 2.946 N/A ARG 450.A NE LEU 448.A O no hydrogen 3.470 N/A ASN 451.A N GLN 454.A OE1 no hydrogen 3.217 N/A GLN 454.A NE2 LEU 424.A O no hydrogen 3.542 N/A GLN 454.A NE2 GLY 427.A O no hydrogen 2.629 N/A LEU 457.A N ALA 429.A O no hydrogen 2.813 N/A ASN 461.A ND2 ILE 431.A O no hydrogen 3.108 N/A ARG 462.A NE GLU 466.A O no hydrogen 3.367 N/A ARG 462.A NH2 GLU 466.A O no hydrogen 3.373 N/A GLU 466.A N PRO 463.A O no hydrogen 3.062 N/A CYS 467.A N GLU 464.A O no hydrogen 3.103 N/A CYS 467.A SG PRO 463.A O no hydrogen 3.514 N/A ALA 473.A N GLY 469.A O no hydrogen 3.185 N/A CYS 474.A SG GLY 481.A O no hydrogen 3.471 N/A CYS 478.A N HIS 475.A O no hydrogen 2.893 N/A ALA 479.A N ASN 493.A O no hydrogen 3.072 N/A HIS 482.A N ALA 479.A O no hydrogen 3.168 N/A CYS 483.A N THR 442.A O no hydrogen 3.053 N/A CYS 483.A SG GLY 485.A O no hydrogen 3.386 N/A TRP 484.A N GLN 490.A O no hydrogen 2.809 N/A GLN 490.A N GLY 487.A O no hydrogen 3.282 N/A VAL 492.A N HIS 482.A O no hydrogen 3.145 N/A CYS 494.A SG PHE 497.A O no hydrogen 3.384 N/A SER 495.A N LEU 477.A O no hydrogen 3.108 N/A GLN 496.A NE2 SER 495.A OG no hydrogen 3.405 N/A PHE 497.A N VAL 504.A O no hydrogen 3.318 N/A LEU 498.A N ARG 521.A O no hydrogen 2.806 N/A ARG 499.A N GLU 502.A O no hydrogen 2.913 N/A ARG 499.A NH1 GLU 516.A OE1 no hydrogen 2.710 N/A GLU 502.A N ARG 499.A O no hydrogen 3.224 N/A CYS 503.A N PRO 488.A O no hydrogen 2.683 N/A VAL 504.A N PHE 497.A O no hydrogen 2.810 N/A ARG 508.A N GLU 516.A OE2 no hydrogen 2.745 N/A ARG 508.A NH1 PRO 514.A O no hydrogen 3.159 N/A VAL 509.A N CYS 507.A O no hydrogen 2.825 N/A ARG 515.A NH1 GLN 533.A O no hydrogen 2.938 N/A ARG 515.A NH1 THR 538.A OG1 no hydrogen 3.201 N/A GLU 516.A N ARG 508.A O no hydrogen 2.786 N/A TYR 517.A N LEU 524.A O no hydrogen 3.014 N/A ASN 519.A N HIS 522.A O no hydrogen 3.075 N/A ARG 521.A NH1 CYS 494.A O no hydrogen 3.249 N/A ARG 521.A NH1 GLN 496.A O no hydrogen 3.130 N/A CYS 523.A N LEU 498.A O no hydrogen 2.748 N/A CYS 523.A SG LEU 498.A O no hydrogen 3.913 N/A LEU 524.A N TYR 517.A O no hydrogen 3.068 N/A CYS 526.A N ARG 515.A O no hydrogen 2.978 N/A CYS 530.A N HIS 527.A O no hydrogen 2.732 N/A GLN 531.A N ALA 549.A O no hydrogen 2.801 N/A GLN 533.A N THR 538.A OG1 no hydrogen 3.383 N/A GLN 533.A NE2 GLN 531.A O no hydrogen 2.883 N/A CYS 539.A SG GLY 541.A O no hydrogen 3.281 N/A PHE 540.A N GLN 546.A O no hydrogen 3.195 N/A GLU 543.A N GLN 546.A OE1 no hydrogen 3.010 N/A GLN 546.A N GLU 543.A O no hydrogen 2.891 N/A CYS 547.A SG ALA 544.A O no hydrogen 3.868 N/A VAL 548.A N THR 538.A O no hydrogen 3.133 N/A CYS 550.A SG TYR 553.A O no hydrogen 4.044 N/A ALA 551.A N GLU 529.A O no hydrogen 2.829 N/A LYS 554.A N GLY 584.A O no hydrogen 3.073 N/A ASP 555.A N PHE 558.A O no hydrogen 2.700 N/A PHE 558.A N ASP 555.A O no hydrogen 2.757 N/A CYS 559.A N ALA 544.A O no hydrogen 3.043 N/A VAL 560.A N TYR 553.A O no hydrogen 2.944 N/A ARG 562.A NH1 SER 565.A OG no hydrogen 3.089 N/A ARG 562.A NH2 SER 565.A OG no hydrogen 3.290 N/A SER 565.A OG CYS 563.A O no hydrogen 3.316 N/A GLY 566.A N ILE 576.A O no hydrogen 3.266 N/A ILE 576.A N VAL 567.A O no hydrogen 2.667 N/A LYS 578.A N PRO 564.A O no hydrogen 2.823 N/A LYS 578.A NZ ASP 555.A OD1 no hydrogen 2.656 N/A PHE 579.A N GLN 587.A O no hydrogen 2.978 N/A GLU 582.A N GLU 582.A OE1 no hydrogen 2.747 N/A CYS 586.A N LYS 554.A O no hydrogen 2.725 N/A CYS 586.A SG LYS 554.A O no hydrogen 3.380 N/A GLN 587.A N PHE 579.A O no hydrogen 2.640 N/A GLN 587.A NE2 ASP 581.A OD2 no hydrogen 2.691 N/A GLN 587.A NE2 ALA 585.A O no hydrogen 3.695 N/A CYS 589.A SG TRP 577.A O no hydrogen 3.160 N/A ASP 601.A N VAL 598.A O no hydrogen 2.700 N/A