Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8gym_SA.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A OG1 LEU 1.A O no hydrogen 2.405 N/A ILE 8.A N ILE 195.A O no hydrogen 2.913 N/A HIS 10.A N ARG 197.A O no hydrogen 2.921 N/A TYR 12.A N ARG 199.A O no hydrogen 2.910 N/A ASP 13.A N LYS 36.A O no hydrogen 2.860 N/A ALA 14.A N LYS 36.A O no hydrogen 3.361 N/A ILE 15.A N TYR 202.A O no hydrogen 2.902 N/A VAL 16.A N ALA 38.A O no hydrogen 3.361 N/A VAL 17.A N VAL 204.A O no hydrogen 2.883 N/A GLY 21.A N THR 50.A OG1 no hydrogen 3.075 N/A LEU 24.A N GLY 20.A O no hydrogen 2.893 N/A ARG 25.A N GLY 21.A O no hydrogen 2.925 N/A ALA 26.A N ALA 22.A O no hydrogen 2.897 N/A ALA 27.A N LEU 24.A O no hydrogen 2.971 N/A PHE 28.A N LEU 24.A O no hydrogen 3.346 N/A LEU 30.A N ALA 26.A O no hydrogen 3.503 N/A VAL 31.A N ALA 27.A O no hydrogen 3.344 N/A GLU 32.A N PHE 28.A O no hydrogen 2.554 N/A GLU 33.A N GLY 29.A O no hydrogen 2.758 N/A GLY 34.A N LEU 30.A O no hydrogen 3.296 N/A PHE 35.A N LEU 30.A O no hydrogen 2.844 N/A CYS 39.A N ASN 164.A O no hydrogen 2.902 N/A CYS 39.A SG GLY 18.A O no hydrogen 3.155 N/A ILE 40.A N VAL 16.A O no hydrogen 2.873 N/A THR 41.A N PHE 166.A O no hydrogen 2.889 N/A LYS 42.A NZ THR 222.A O no hydrogen 3.373 N/A LYS 42.A NZ ASP 226.A OD1 no hydrogen 3.482 N/A LYS 42.A NZ GLU 519.A OE2 no hydrogen 2.407 N/A ARG 47.A N PHE 44.A O no hydrogen 2.847 N/A SER 48.A OG PRO 45.A O no hydrogen 3.071 N/A VAL 51.A N SER 48.A O no hydrogen 3.038 N/A ALA 52.A N HIS 49.A O no hydrogen 2.984 N/A ALA 53.A N THR 50.A O no hydrogen 3.105 N/A ILE 57.A N ALA 140.A O no hydrogen 2.973 N/A ASN 58.A N ALA 406.A O no hydrogen 2.494 N/A ASN 58.A ND2 GLY 405.A O no hydrogen 2.426 N/A ASN 58.A ND2 ASN 407.A OD1 no hydrogen 3.198 N/A ALA 59.A N ARG 138.A O no hydrogen 2.696 N/A GLU 66.A N THR 65.A OG1 no hydrogen 2.555 N/A LYS 70.A NZ GLU 588.A O no hydrogen 3.543 N/A HIS 72.A N ASP 68.A O no hydrogen 2.983 N/A PHE 73.A N TRP 69.A O no hydrogen 2.843 N/A TYR 74.A N LYS 70.A O no hydrogen 2.916 N/A ASP 75.A N TRP 71.A O no hydrogen 2.915 N/A THR 76.A N HIS 72.A O no hydrogen 2.925 N/A THR 76.A OG1 HIS 72.A O no hydrogen 2.733 N/A VAL 77.A N PHE 73.A O no hydrogen 2.904 N/A LYS 78.A N TYR 74.A O no hydrogen 2.899 N/A LYS 78.A NZ SER 598.A O no hydrogen 3.169 N/A GLY 79.A N ASP 75.A O no hydrogen 2.959 N/A SER 80.A N THR 76.A O no hydrogen 2.906 N/A SER 80.A OG SER 80.A O no hydrogen 2.380 N/A ASP 81.A N LYS 78.A O no hydrogen 2.964 N/A TRP 82.A N VAL 77.A O no hydrogen 3.179 N/A LEU 83.A N SER 80.A O no hydrogen 2.959 N/A GLY 84.A N SER 80.A OG no hydrogen 2.686 N/A GLN 86.A N GLN 86.A OE1 no hydrogen 2.576 N/A ASP 87.A N ASP 87.A OD1 no hydrogen 2.454 N/A ILE 89.A N ASP 85.A O no hydrogen 3.164 N/A GLN 90.A N GLN 86.A O no hydrogen 2.884 N/A TYR 91.A N ASP 87.A O no hydrogen 2.910 N/A MET 92.A N ALA 88.A O no hydrogen 2.898 N/A THR 93.A N ILE 89.A O no hydrogen 2.907 N/A THR 93.A OG1 ILE 89.A O no hydrogen 2.804 N/A THR 93.A OG1 GLN 90.A O no hydrogen 3.329 N/A ARG 94.A N GLN 90.A O no hydrogen 2.891 N/A GLU 95.A N TYR 91.A O no hydrogen 3.485 N/A ALA 99.A N GLU 95.A O no hydrogen 2.845 N/A VAL 100.A N ALA 96.A O no hydrogen 2.946 N/A LEU 101.A N PRO 97.A O no hydrogen 2.904 N/A GLU 102.A N ALA 98.A O no hydrogen 2.891 N/A LEU 103.A N ALA 99.A O no hydrogen 2.889 N/A GLU 104.A N VAL 100.A O no hydrogen 2.922 N/A SER 105.A N LEU 101.A O no hydrogen 2.871 N/A SER 105.A OG LEU 101.A O no hydrogen 3.309 N/A SER 105.A OG GLU 102.A O no hydrogen 2.537 N/A TYR 106.A N GLU 102.A O no hydrogen 2.927 N/A GLY 107.A N GLU 104.A O no hydrogen 2.785 N/A LEU 108.A N LEU 103.A O no hydrogen 3.395 N/A PHE 110.A N LEU 108.A O no hydrogen 2.913 N/A SER 111.A N CYS 141.A O no hydrogen 3.419 N/A ARG 112.A NE PHE 110.A O no hydrogen 3.340 N/A ARG 112.A NH1 GLY 116.A O no hydrogen 3.052 N/A ARG 112.A NH2 GLU 104.A OE2 no hydrogen 2.692 N/A THR 113.A N LYS 117.A O no hydrogen 2.988 N/A THR 113.A OG1 LYS 117.A O no hydrogen 3.375 N/A GLY 116.A N THR 113.A OG1 no hydrogen 3.406 N/A TYR 119.A N SER 111.A O no hydrogen 2.513 N/A GLN 120.A NE2 ALA 59.A O no hydrogen 3.313 N/A ARG 121.A N THR 139.A O no hydrogen 3.242 N/A ARG 121.A NH2 ARG 330.A O no hydrogen 3.364 N/A GLY 124.A N GLU 260.A OE2 no hydrogen 2.871 N/A GLN 126.A NE2 ASN 58.A OD1 no hydrogen 2.825 N/A SER 127.A OG ASP 75.A OD1 no hydrogen 2.306 N/A LYS 132.A N LYS 129.A O no hydrogen 3.257 N/A GLY 133.A N LEU 128.A O no hydrogen 2.476 N/A GLN 135.A NE2 PHE 123.A O no hydrogen 3.221 N/A ARG 138.A NH1 GLN 126.A OE1 no hydrogen 2.983 N/A ARG 138.A NH1 SER 127.A O no hydrogen 3.225 N/A ARG 138.A NH2 SER 127.A O no hydrogen 3.213 N/A THR 139.A N ARG 121.A O no hydrogen 3.320 N/A THR 139.A OG1 ASN 58.A OD1 no hydrogen 3.268 N/A ALA 140.A N ILE 57.A O no hydrogen 2.646 N/A CYS 141.A N TYR 119.A O no hydrogen 3.468 N/A CYS 141.A SG TYR 119.A O no hydrogen 3.564 N/A CYS 141.A SG THR 139.A O no hydrogen 3.886 N/A ALA 143.A N THR 146.A OG1 no hydrogen 2.878 N/A THR 146.A OG1 ALA 143.A O no hydrogen 2.421 N/A GLY 147.A N ALA 53.A O no hydrogen 3.074 N/A ALA 149.A N ARG 145.A O no hydrogen 2.953 N/A MET 150.A N THR 146.A O no hydrogen 3.089 N/A LEU 151.A N GLY 147.A O no hydrogen 3.018 N/A HIS 152.A N HIS 148.A O no hydrogen 3.215 N/A THR 153.A N ALA 149.A O no hydrogen 2.910 N/A THR 153.A OG1 ALA 149.A O no hydrogen 2.943 N/A LEU 154.A N MET 150.A O no hydrogen 2.888 N/A PHE 155.A N LEU 151.A O no hydrogen 2.901 N/A GLY 156.A N HIS 152.A O no hydrogen 2.878 N/A ARG 157.A N THR 153.A O no hydrogen 2.902 N/A SER 158.A N LEU 154.A O no hydrogen 2.902 N/A LEU 159.A N PHE 155.A O no hydrogen 3.254 N/A LEU 159.A N GLY 156.A O no hydrogen 3.219 N/A ALA 160.A N ARG 157.A O no hydrogen 3.142 N/A TYR 161.A N SER 158.A O no hydrogen 3.012 N/A CYS 163.A N TYR 161.A O no hydrogen 2.790 N/A ASN 164.A ND2 THR 37.A O no hydrogen 2.601 N/A PHE 166.A N CYS 39.A O no hydrogen 2.881 N/A TYR 169.A N THR 41.A O no hydrogen 2.740 N/A PHE 170.A N MET 188.A O no hydrogen 2.909 N/A ILE 172.A N ILE 186.A O no hydrogen 2.831 N/A ILE 175.A N GLY 184.A O no hydrogen 2.353 N/A ASP 177.A N ALA 181.A O no hydrogen 2.495 N/A GLY 180.A N ASP 177.A O no hydrogen 2.789 N/A CYS 182.A N PRO 385.A O no hydrogen 3.221 N/A CYS 182.A SG GLY 184.A O no hydrogen 3.691 N/A CYS 182.A SG THR 203.A OG1 no hydrogen 3.262 N/A ARG 183.A N ILE 175.A O no hydrogen 2.501 N/A ARG 183.A NH1 ASP 435.A O no hydrogen 2.718 N/A ARG 183.A NH2 LYS 434.A O no hydrogen 2.508 N/A ARG 183.A NH2 ASP 435.A O no hydrogen 3.458 N/A VAL 185.A N ILE 198.A O no hydrogen 2.904 N/A ILE 186.A N ASP 173.A O no hydrogen 3.280 N/A CYS 187.A N HIS 196.A O no hydrogen 2.869 N/A MET 188.A N PHE 170.A O no hydrogen 2.872 N/A SER 189.A N SER 194.A O no hydrogen 2.862 N/A MET 190.A N GLU 168.A O no hydrogen 3.186 N/A SER 194.A OG ASP 192.A OD2 no hydrogen 3.379 N/A SER 194.A OG HIS 196.A NE2 no hydrogen 2.960 N/A HIS 196.A N CYS 187.A O no hydrogen 2.891 N/A HIS 196.A ND1 HIS 10.A NE2 no hydrogen 2.988 N/A HIS 196.A NE2 SER 194.A OG no hydrogen 2.960 N/A ARG 197.A N ILE 8.A O no hydrogen 2.871 N/A ARG 197.A NE ASP 9.A OD1 no hydrogen 2.928 N/A ARG 197.A NH1 ALA 440.A O no hydrogen 2.959 N/A ARG 197.A NH2 ASP 9.A OD1 no hydrogen 3.273 N/A ILE 198.A N VAL 185.A O no hydrogen 2.926 N/A ARG 199.A N HIS 10.A O no hydrogen 2.886 N/A ARG 199.A NH1 LYS 434.A O no hydrogen 2.496 N/A ALA 200.A N ARG 183.A O no hydrogen 2.944 N/A HIS 201.A N ASP 13.A O no hydrogen 3.388 N/A TYR 202.A OH LYS 426.A O no hydrogen 2.829 N/A VAL 204.A N ILE 15.A O no hydrogen 2.875 N/A LEU 205.A N LEU 388.A O no hydrogen 2.876 N/A ALA 206.A N VAL 204.A O no hydrogen 3.206 N/A TYR 210.A OH THR 530.A OG1 no hydrogen 2.262 N/A ARG 212.A N CYS 223.A O no hydrogen 3.054 N/A ARG 212.A NE ALA 220.A O no hydrogen 3.246 N/A SER 213.A N TYR 210.A O no hydrogen 3.066 N/A SER 213.A OG TYR 210.A O no hydrogen 2.872 N/A LEU 215.A N GLN 472.A OE1 no hydrogen 2.701 N/A SER 216.A N GLN 472.A OE1 no hydrogen 3.024 N/A CYS 217.A SG GLY 211.A O no hydrogen 3.144 N/A CYS 217.A SG TYR 214.A O no hydrogen 4.020 N/A THR 218.A N VAL 357.A O no hydrogen 2.843 N/A THR 218.A OG1 VAL 357.A O no hydrogen 3.217 N/A THR 218.A OG1 HIS 358.A ND1 no hydrogen 3.146 N/A CYS 223.A N ALA 220.A O no hydrogen 3.246 N/A THR 224.A OG1 ASP 226.A OD1 no hydrogen 3.011 N/A GLY 225.A N GLY 209.A O no hydrogen 2.819 N/A LEU 230.A N ASP 226.A O no hydrogen 2.821 N/A ALA 231.A N GLY 227.A O no hydrogen 2.946 N/A THR 232.A N MET 228.A O no hydrogen 2.915 N/A THR 232.A OG1 MET 228.A O no hydrogen 3.373 N/A THR 232.A OG1 ALA 229.A O no hydrogen 2.727 N/A ARG 233.A N ALA 229.A O no hydrogen 2.857 N/A ARG 233.A NH1 ASN 522.A OD1 no hydrogen 2.292 N/A ALA 234.A N LEU 230.A O no hydrogen 2.903 N/A GLY 235.A N ALA 231.A O no hydrogen 3.239 N/A LEU 236.A N ALA 231.A O no hydrogen 2.889 N/A LEU 238.A N THR 563.A O no hydrogen 2.711 N/A GLU 239.A N GLY 363.A O no hydrogen 2.497 N/A ASP 240.A N SER 561.A O no hydrogen 2.937 N/A GLU 242.A N GLU 242.A OE1 no hydrogen 2.701 N/A PHE 243.A N ASP 240.A O no hydrogen 3.390 N/A GLN 245.A NE2 ARG 403.A O no hydrogen 2.790 N/A HIS 247.A N THR 356.A O no hydrogen 2.865 N/A THR 249.A OG1 MET 258.A O no hydrogen 2.554 N/A GLY 250.A N PRO 248.A O no hydrogen 3.211 N/A GLY 250.A N VAL 354.A O no hydrogen 3.317 N/A ILE 251.A N CYS 256.A O no hydrogen 2.497 N/A TYR 252.A OH ASP 313.A OD2 no hydrogen 3.283 N/A SER 254.A N TYR 252.A O no hydrogen 3.129 N/A GLY 255.A N ILE 251.A O no hydrogen 3.139 N/A CYS 256.A N SER 254.A OG no hydrogen 3.399 N/A CYS 256.A SG SER 254.A OG no hydrogen 3.430 N/A MET 258.A N THR 249.A O no hydrogen 3.087 N/A GLY 261.A N THR 259.A OG1 no hydrogen 3.057 N/A CYS 262.A N THR 259.A O no hydrogen 3.065 N/A ARG 263.A NH1 ASP 287.A O no hydrogen 3.122 N/A GLY 264.A N GLU 260.A O no hydrogen 2.885 N/A GLU 265.A N GLY 261.A O no hydrogen 2.629 N/A GLY 267.A N CYS 262.A O no hydrogen 2.730 N/A ILE 268.A N GLN 318.A O no hydrogen 2.951 N/A LEU 269.A N ASP 287.A OD2 no hydrogen 3.180 N/A VAL 270.A N PHE 316.A O no hydrogen 2.862 N/A ASN 271.A N GLU 275.A O no hydrogen 3.335 N/A SER 272.A N ARG 306.A O no hydrogen 3.174 N/A SER 272.A OG ASN 273.A OD1 no hydrogen 3.052 N/A ASN 273.A N ASN 271.A OD1 no hydrogen 3.281 N/A ASN 273.A ND2 ASN 273.A O no hydrogen 2.565 N/A GLU 275.A N ASN 271.A OD1 no hydrogen 3.135 N/A LYS 280.A N PHE 277.A O no hydrogen 3.262 N/A TYR 281.A N MET 278.A O no hydrogen 3.238 N/A TYR 281.A OH GLU 301.A OE2 no hydrogen 3.171 N/A ALA 282.A N MET 278.A O no hydrogen 2.629 N/A LYS 286.A N ALA 282.A O no hydrogen 3.050 N/A LEU 288.A N ALA 285.A O no hydrogen 2.844 N/A SER 290.A OG ASP 292.A OD2 no hydrogen 3.346 N/A ARG 291.A NE GLU 260.A OE1 no hydrogen 2.687 N/A ARG 291.A NH2 GLU 260.A OE1 no hydrogen 2.908 N/A VAL 294.A N SER 290.A O no hydrogen 2.946 N/A SER 295.A N ARG 291.A O no hydrogen 2.885 N/A SER 295.A OG PHE 246.A O no hydrogen 2.313 N/A SER 295.A OG ARG 291.A O no hydrogen 3.023 N/A ARG 296.A N ASP 292.A O no hydrogen 2.895 N/A ALA 297.A N VAL 293.A O no hydrogen 2.903 N/A MET 298.A N VAL 294.A O no hydrogen 2.917 N/A THR 299.A N SER 295.A O no hydrogen 2.882 N/A THR 299.A OG1 SER 295.A O no hydrogen 2.829 N/A ILE 300.A N ARG 296.A O no hydrogen 2.910 N/A GLU 301.A N ALA 297.A O no hydrogen 3.166 N/A ILE 302.A N MET 298.A O no hydrogen 3.199 N/A LEU 303.A N THR 299.A O no hydrogen 2.589 N/A GLU 304.A N ILE 300.A O no hydrogen 2.483 N/A GLY 305.A N ILE 302.A O no hydrogen 3.255 N/A ARG 306.A N GLU 301.A O no hydrogen 2.566 N/A VAL 308.A N HIS 314.A O no hydrogen 3.112 N/A LYS 311.A NZ TYR 252.A OH no hydrogen 3.015 N/A LYS 312.A N GLY 309.A O no hydrogen 2.872 N/A ILE 315.A N VAL 353.A O no hydrogen 2.917 N/A PHE 316.A N VAL 270.A O no hydrogen 2.968 N/A LEU 317.A N ALA 351.A O no hydrogen 2.841 N/A GLN 318.A N ILE 268.A O no hydrogen 2.867 N/A GLN 318.A NE2 HIS 321.A ND1 no hydrogen 3.399 N/A HIS 321.A NE2 GLY 266.A O no hydrogen 2.373 N/A LEU 322.A N LEU 319.A O no hydrogen 2.929 N/A GLU 325.A N GLU 325.A OE1 no hydrogen 2.604 N/A LEU 327.A N SER 323.A O no hydrogen 3.354 N/A HIS 328.A N GLU 325.A O no hydrogen 3.281 N/A GLN 329.A N THR 326.A O no hydrogen 3.447 N/A ARG 330.A N THR 326.A O no hydrogen 2.978 N/A ARG 330.A NE GLU 265.A OE1 no hydrogen 2.779 N/A SER 335.A OG LEU 331.A O no hydrogen 3.458 N/A SER 335.A OG PRO 332.A O no hydrogen 2.385 N/A GLU 336.A N PRO 332.A O no hydrogen 2.943 N/A THR 337.A N GLY 333.A O no hydrogen 2.887 N/A THR 337.A OG1 GLY 333.A O no hydrogen 2.904 N/A ALA 338.A N ILE 334.A O no hydrogen 2.907 N/A ARG 339.A N SER 335.A O no hydrogen 2.918 N/A ILE 340.A N GLU 336.A O no hydrogen 2.927 N/A PHE 341.A N THR 337.A O no hydrogen 2.912 N/A ALA 342.A N ALA 338.A O no hydrogen 2.992 N/A GLY 343.A N ARG 339.A O no hydrogen 3.048 N/A VAL 344.A N ALA 338.A O no hydrogen 3.520 N/A ASP 345.A N GLU 349.A OE2 no hydrogen 3.452 N/A THR 347.A OG1 ASP 345.A OD1 no hydrogen 2.724 N/A LYS 348.A N ASP 345.A O no hydrogen 2.821 N/A GLU 349.A N ASP 345.A O no hydrogen 2.591 N/A ALA 351.A N LEU 317.A O no hydrogen 2.929 N/A VAL 353.A N ILE 315.A O no hydrogen 2.905 N/A VAL 354.A N GLY 250.A O no hydrogen 2.795 N/A THR 356.A N HIS 247.A O no hydrogen 2.939 N/A HIS 358.A N GLN 245.A O no hydrogen 2.913 N/A HIS 358.A ND1 THR 218.A OG1 no hydrogen 3.146 N/A TYR 359.A N GLN 245.A O no hydrogen 3.324 N/A ASN 360.A ND2 GLU 392.A OE2 no hydrogen 2.373 N/A GLY 363.A N GLU 239.A O no hydrogen 2.806 N/A VAL 364.A N ASN 393.A O no hydrogen 3.173 N/A THR 366.A OG1 VAL 364.A O no hydrogen 3.515 N/A THR 366.A OG1 PRO 365.A O no hydrogen 2.682 N/A ASN 367.A N GLU 371.A O no hydrogen 3.356 N/A THR 370.A N ASN 367.A O no hydrogen 3.413 N/A THR 370.A OG1 LYS 369.A O no hydrogen 2.347 N/A GLU 371.A N ASN 367.A OD1 no hydrogen 2.877 N/A VAL 372.A N LEU 387.A O no hydrogen 3.107 N/A THR 374.A N LYS 382.A O no hydrogen 2.880 N/A GLY 379.A N ASP 376.A OD1 no hydrogen 2.866 N/A LYS 382.A N THR 374.A O no hydrogen 2.907 N/A VAL 384.A N VAL 372.A O no hydrogen 2.815 N/A LEU 388.A N THR 203.A O no hydrogen 2.893 N/A ALA 389.A N THR 370.A O no hydrogen 3.040 N/A ALA 390.A N LEU 205.A O no hydrogen 2.935 N/A ASN 393.A ND2 ALA 207.A O no hydrogen 3.695 N/A ASN 393.A ND2 GLY 208.A O no hydrogen 3.559 N/A CYS 395.A N VAL 364.A O no hydrogen 2.688 N/A CYS 395.A SG GLU 239.A O no hydrogen 3.776 N/A ARG 403.A NE GLN 245.A OE1 no hydrogen 3.329 N/A ARG 403.A NH2 GLN 245.A OE1 no hydrogen 3.447 N/A ASP 411.A N ASN 407.A O no hydrogen 2.897 N/A ILE 412.A N SER 408.A O no hydrogen 2.878 N/A VAL 413.A N LEU 409.A O no hydrogen 2.978 N/A VAL 414.A N LEU 410.A O no hydrogen 2.959 N/A PHE 415.A N ASP 411.A O no hydrogen 2.900 N/A GLY 416.A N ILE 412.A O no hydrogen 2.884 N/A ARG 417.A N VAL 413.A O no hydrogen 3.013 N/A ALA 418.A N VAL 414.A O no hydrogen 2.875 N/A ALA 419.A N PHE 415.A O no hydrogen 2.858 N/A ALA 420.A N GLY 416.A O no hydrogen 2.975 N/A LYS 421.A N ARG 417.A O no hydrogen 2.912 N/A LEU 422.A N ALA 418.A O no hydrogen 2.875 N/A VAL 423.A N ALA 419.A O no hydrogen 2.936 N/A LYS 424.A N ALA 420.A O no hydrogen 2.935 N/A GLU 425.A N LYS 421.A O no hydrogen 2.866 N/A LYS 426.A N LEU 422.A O no hydrogen 2.962 N/A LYS 426.A NZ GLU 371.A OE2 no hydrogen 2.359 N/A GLU 442.A N ASN 439.A O no hydrogen 3.302 N/A LEU 445.A N GLY 441.A O no hydrogen 2.907 N/A ALA 446.A N GLU 442.A O no hydrogen 2.856 N/A ARG 447.A N GLN 443.A O no hydrogen 2.930 N/A LEU 448.A N ALA 444.A O no hydrogen 2.921 N/A ASP 449.A N LEU 445.A O no hydrogen 2.846 N/A LYS 450.A N ALA 446.A O no hydrogen 2.891 N/A TYR 451.A N ARG 447.A O no hydrogen 2.933 N/A TYR 451.A OH GLU 521.A OE1 no hydrogen 2.314 N/A ARG 452.A N LEU 448.A O no hydrogen 2.865 N/A ARG 452.A NE GLY 507.A O no hydrogen 3.028 N/A PHE 453.A N ASP 449.A O no hydrogen 3.161 N/A ALA 454.A N TYR 451.A O no hydrogen 3.249 N/A THR 460.A OG1 THR 517.A OG1 no hydrogen 2.605 N/A HIS 462.A N THR 459.A OG1 no hydrogen 2.778 N/A VAL 463.A N THR 460.A O no hydrogen 3.390 N/A ARG 464.A N THR 460.A O no hydrogen 2.897 N/A THR 465.A N HIS 461.A O no hydrogen 3.477 N/A THR 465.A OG1 HIS 461.A O no hydrogen 2.675 N/A MET 467.A N VAL 463.A O no hydrogen 2.924 N/A GLN 468.A N ARG 464.A O no hydrogen 2.891 N/A GLN 468.A NE2 ARG 212.A O no hydrogen 3.041 N/A GLU 469.A N THR 465.A O no hydrogen 2.893 N/A THR 470.A N ALA 466.A O no hydrogen 2.918 N/A THR 470.A OG1 ALA 466.A O no hydrogen 3.034 N/A MET 471.A N MET 467.A O no hydrogen 2.915 N/A GLN 472.A N GLN 468.A O no hydrogen 2.884 N/A HIS 474.A N THR 470.A O no hydrogen 2.973 N/A HIS 474.A ND1 LEU 483.A O no hydrogen 2.809 N/A ALA 475.A N MET 471.A O no hydrogen 3.075 N/A ARG 479.A N ALA 545.A O no hydrogen 2.932 N/A ARG 479.A NE ALA 476.A O no hydrogen 3.336 N/A ARG 479.A NH1 GLU 242.A O no hydrogen 2.719 N/A ARG 479.A NH2 GLU 242.A O no hydrogen 3.116 N/A MET 484.A N ILE 480.A O no hydrogen 2.914 N/A ALA 485.A N GLU 481.A O no hydrogen 2.857 N/A GLU 486.A N LYS 482.A O no hydrogen 2.959 N/A GLY 487.A N LEU 483.A O no hydrogen 2.860 N/A VAL 488.A N MET 484.A O no hydrogen 2.868 N/A GLN 489.A N ALA 485.A O no hydrogen 2.950 N/A LYS 490.A N GLU 486.A O no hydrogen 2.894 N/A LYS 490.A NZ HIS 474.A NE2 no hydrogen 3.392 N/A LEU 491.A N GLY 487.A O no hydrogen 2.835 N/A ASP 492.A N VAL 488.A O no hydrogen 2.944 N/A ILE 494.A N LYS 490.A O no hydrogen 2.947 N/A TYR 495.A N LEU 491.A O no hydrogen 2.921 N/A GLU 496.A N ASP 492.A O no hydrogen 3.346 N/A GLN 497.A N HIS 493.A O no hydrogen 3.065 N/A SER 498.A N ILE 494.A O no hydrogen 3.043 N/A SER 498.A N TYR 495.A O no hydrogen 3.122 N/A LYS 499.A N GLU 496.A O no hydrogen 3.262 N/A LYS 499.A NZ GLU 496.A OE1 no hydrogen 2.507 N/A SER 500.A N GLN 497.A O no hydrogen 2.981 N/A SER 500.A OG GLN 497.A O no hydrogen 2.983 N/A LEU 501.A N SER 498.A O no hydrogen 3.431 N/A LYS 502.A N TYR 458.A O no hydrogen 2.726 N/A THR 503.A N ALA 454.A O no hydrogen 3.064 N/A THR 503.A OG1 TYR 451.A O no hydrogen 3.095 N/A THR 503.A OG1 ARG 452.A O no hydrogen 3.373 N/A PHE 504.A N ASP 513.A OD2 no hydrogen 2.857 N/A ARG 506.A NH1 THR 503.A O no hydrogen 2.325 N/A ARG 506.A NH1 ASP 505.A O no hydrogen 3.456 N/A GLY 507.A N ASP 505.A OD1 no hydrogen 2.897 N/A TRP 510.A N MET 190.A O no hydrogen 2.667 N/A ASN 511.A ND2 ASP 505.A O no hydrogen 3.245 N/A ASN 511.A ND2 GLY 507.A O no hydrogen 2.638 N/A LEU 514.A N ASN 511.A OD1 no hydrogen 3.370 N/A ILE 515.A N ASN 511.A O no hydrogen 3.324 N/A GLU 516.A N THR 512.A O no hydrogen 2.873 N/A THR 517.A N ASP 513.A O no hydrogen 2.900 N/A THR 517.A OG1 THR 460.A OG1 no hydrogen 2.605 N/A THR 517.A OG1 ASP 513.A O no hydrogen 2.930 N/A LEU 518.A N LEU 514.A O no hydrogen 2.956 N/A GLU 519.A N ILE 515.A O no hydrogen 2.892 N/A LEU 520.A N GLU 516.A O no hydrogen 2.815 N/A GLU 521.A N THR 517.A O no hydrogen 2.978 N/A ASN 522.A N LEU 518.A O no hydrogen 2.972 N/A LEU 523.A N GLU 519.A O no hydrogen 2.839 N/A LEU 524.A N LEU 520.A O no hydrogen 2.883 N/A LEU 525.A N GLU 521.A O no hydrogen 2.986 N/A CYS 526.A N ASN 522.A O no hydrogen 2.950 N/A CYS 526.A SG ASN 522.A O no hydrogen 3.263 N/A SER 527.A N LEU 523.A O no hydrogen 2.827 N/A LYS 528.A N LEU 524.A O no hydrogen 2.937 N/A GLN 529.A N LEU 525.A O no hydrogen 2.969 N/A THR 530.A N CYS 526.A O no hydrogen 2.909 N/A THR 530.A OG1 TYR 210.A OH no hydrogen 2.262 N/A THR 530.A OG1 PRO 241.A O no hydrogen 2.447 N/A THR 530.A OG1 CYS 526.A O no hydrogen 3.392 N/A LEU 531.A N SER 527.A O no hydrogen 2.880 N/A LEU 532.A N LYS 528.A O no hydrogen 2.965 N/A ALA 533.A N GLN 529.A O no hydrogen 3.023 N/A GLY 534.A N THR 530.A O no hydrogen 3.283 N/A LEU 535.A N LEU 531.A O no hydrogen 3.198 N/A LEU 536.A N LEU 532.A O no hydrogen 3.500 N/A ARG 537.A N ALA 533.A O no hydrogen 3.414 N/A ARG 537.A NH1 GLU 539.A OE2 no hydrogen 2.378 N/A ARG 537.A NH2 LYS 559.A O no hydrogen 2.435 N/A SER 540.A N GLU 551.A O no hydrogen 2.865 N/A ARG 541.A N HIS 544.A O no hydrogen 2.971 N/A ARG 541.A NE GLU 539.A OE2 no hydrogen 2.867 N/A ARG 541.A NH2 GLU 539.A OE2 no hydrogen 3.549 N/A ARG 541.A NH2 TRP 557.A O no hydrogen 2.672 N/A ALA 543.A N ALA 401.A O no hydrogen 3.262 N/A HIS 544.A N ARG 541.A O no hydrogen 2.906 N/A ARG 546.A NH1 LEU 535.A O no hydrogen 3.452 N/A ARG 546.A NH1 ARG 537.A O no hydrogen 2.532 N/A ASP 548.A N ASP 547.A OD1 no hydrogen 2.623 N/A LYS 550.A NZ LYS 550.A O no hydrogen 3.214 N/A GLU 551.A N PHE 549.A O no hydrogen 2.679 N/A ARG 552.A NE ASP 554.A OD1 no hydrogen 3.207 N/A ARG 552.A NH2 ALA 595.A O no hydrogen 2.286 N/A ASP 553.A N GLU 539.A OE1 no hydrogen 3.143 N/A LYS 555.A N ASP 553.A OD1 no hydrogen 3.101 N/A ASN 556.A N ASP 553.A OD1 no hydrogen 2.559 N/A TRP 557.A N ASP 553.A O no hydrogen 2.953 N/A LYS 559.A NZ ASN 556.A O no hydrogen 2.423 N/A HIS 560.A N ARG 578.A O no hydrogen 2.871 N/A HIS 560.A ND1 ASP 240.A OD1 no hydrogen 2.864 N/A HIS 560.A ND1 ASP 240.A OD2 no hydrogen 2.957 N/A SER 561.A N ASP 240.A OD1 no hydrogen 3.304 N/A LEU 562.A N THR 576.A O no hydrogen 2.894 N/A THR 563.A N LEU 238.A O no hydrogen 2.765 N/A THR 563.A OG1 LEU 238.A O no hydrogen 2.949 N/A TRP 564.A N GLU 574.A O no hydrogen 2.885 N/A TRP 564.A NE1 THR 576.A OG1 no hydrogen 2.976 N/A THR 570.A OG1 ASP 567.A OD2 no hydrogen 2.867 N/A LYS 572.A NZ THR 573.A O no hydrogen 2.486 N/A LYS 572.A NZ GLU 574.A OE2 no hydrogen 3.194 N/A GLU 574.A N TRP 564.A O no hydrogen 2.926 N/A THR 576.A N LEU 562.A O no hydrogen 2.870 N/A THR 576.A OG1 LEU 562.A O no hydrogen 3.396 N/A ARG 578.A N HIS 560.A O no hydrogen 2.900 N/A ARG 578.A NE ASP 381.A OD2 no hydrogen 2.452 N/A THR 584.A OG1 ASP 586.A O no hydrogen 3.060 N/A GLU 588.A N ASP 586.A OD2 no hydrogen 3.422 N/A THR 590.A OG1 SER 587.A O no hydrogen 3.515 N/A ARG 597.A NH2 SER 290.A OG no hydrogen 2.598 N/A ARG 597.A NH2 ASP 292.A OD2 no hydrogen 2.345 N/A TYR 599.A OH GLY 125.A O no hydrogen 2.864 N/A