Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8cdr_Aa.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 5.A OG1 PHE 4.A O no hydrogen 2.436 N/A MET 9.A N THR 5.A O no hydrogen 2.897 N/A ARG 10.A N VAL 6.A O no hydrogen 2.871 N/A ARG 10.A NE ASP 421.A OD1 no hydrogen 3.268 N/A ARG 10.A NH1 ARG 10.A O no hydrogen 2.564 N/A ARG 10.A NH2 ASP 14.A OD1 no hydrogen 3.109 N/A ARG 10.A NH2 ASP 421.A OD2 no hydrogen 3.050 N/A SER 11.A N ASP 7.A O no hydrogen 2.905 N/A SER 11.A OG ASP 7.A O no hydrogen 3.559 N/A SER 11.A OG GLN 8.A O no hydrogen 2.396 N/A LEU 12.A N GLN 8.A O no hydrogen 2.926 N/A MET 13.A N MET 9.A O no hydrogen 2.938 N/A ASP 14.A N ARG 10.A O no hydrogen 2.856 N/A LYS 15.A N SER 11.A O no hydrogen 2.961 N/A THR 17.A OG1 ASN 18.A OD1 no hydrogen 3.306 N/A THR 17.A OG1 ASP 68.A OD1 no hydrogen 2.634 N/A ASN 18.A ND2 SER 71.A O no hydrogen 2.329 N/A ARG 20.A N LEU 73.A O no hydrogen 2.894 N/A ARG 20.A NE VAL 313.A O no hydrogen 3.360 N/A ARG 20.A NE LEU 316.A O no hydrogen 2.786 N/A ARG 20.A NH1 THR 17.A O no hydrogen 3.102 N/A ARG 20.A NH2 VAL 313.A O no hydrogen 2.781 N/A ASN 21.A ND2 ASP 97.A OD2 no hydrogen 3.320 N/A ASN 21.A ND2 GLY 425.A O no hydrogen 3.229 N/A MET 22.A N ASN 75.A O no hydrogen 2.910 N/A SER 23.A N GLY 98.A O no hydrogen 2.923 N/A SER 23.A OG GLY 98.A O no hydrogen 3.541 N/A VAL 24.A N ILE 77.A O no hydrogen 2.821 N/A ILE 25.A N LEU 100.A O no hydrogen 2.911 N/A LYS 32.A NZ HIS 27.A O no hydrogen 2.339 N/A LYS 32.A NZ VAL 28.A O no hydrogen 3.261 N/A THR 34.A OG1 GLY 31.A O no hydrogen 2.790 N/A LEU 35.A N GLY 31.A O no hydrogen 2.866 N/A THR 36.A N LYS 32.A O no hydrogen 2.885 N/A THR 36.A OG1 LYS 32.A O no hydrogen 2.922 N/A THR 36.A OG1 ASP 78.A OD2 no hydrogen 3.072 N/A ASP 37.A N SER 33.A O no hydrogen 2.907 N/A SER 38.A N THR 34.A O no hydrogen 2.919 N/A SER 38.A OG GLY 188.A O no hydrogen 3.217 N/A LEU 39.A N LEU 35.A O no hydrogen 2.878 N/A VAL 40.A N THR 36.A O no hydrogen 2.909 N/A ARG 42.A NH1 ASP 306.A OD1 no hydrogen 2.550 N/A ALA 43.A N VAL 40.A O no hydrogen 3.369 N/A ILE 49.A N LEU 76.A O no hydrogen 2.885 N/A SER 50.A OG ASN 75.A OD1 no hydrogen 3.427 N/A LEU 51.A N ILE 74.A O no hydrogen 2.852 N/A TYR 52.A OH GLU 54.A OE2 no hydrogen 3.069 N/A TYR 52.A OH SER 71.A OG no hydrogen 2.656 N/A SER 53.A N PHE 72.A O no hydrogen 2.956 N/A SER 53.A OG PHE 72.A O no hydrogen 3.388 N/A SER 56.A OG ASP 59.A OD1 no hydrogen 2.146 N/A ASP 59.A N ASP 59.A OD1 no hydrogen 2.171 N/A VAL 60.A N SER 56.A O no hydrogen 2.938 N/A LYS 61.A N ASP 57.A O no hydrogen 2.894 N/A THR 67.A OG1 ASN 18.A OD1 no hydrogen 3.044 N/A ASP 68.A N ASN 18.A OD1 no hydrogen 3.376 N/A ASN 70.A ND2 ASP 57.A OD1 no hydrogen 2.586 N/A SER 71.A OG TYR 52.A OH no hydrogen 2.656 N/A PHE 72.A N SER 53.A O no hydrogen 2.870 N/A LEU 73.A N ASN 18.A O no hydrogen 2.909 N/A ILE 74.A N LEU 51.A O no hydrogen 2.881 N/A ASN 75.A N ARG 20.A O no hydrogen 2.842 N/A ASN 75.A ND2 ASN 21.A OD1 no hydrogen 2.975 N/A LEU 76.A N ILE 49.A O no hydrogen 2.897 N/A ILE 77.A N MET 22.A O no hydrogen 2.951 N/A SER 79.A N VAL 24.A O no hydrogen 2.984 N/A SER 79.A OG VAL 24.A O no hydrogen 2.587 N/A PHE 85.A N HIS 82.A O no hydrogen 3.461 N/A SER 86.A N VAL 83.A O no hydrogen 3.361 N/A SER 86.A OG GLN 119.A OE1 no hydrogen 2.657 N/A SER 86.A OG SER 458.A OG no hydrogen 3.368 N/A GLU 88.A N PHE 85.A O no hydrogen 3.250 N/A THR 90.A N SER 86.A O no hydrogen 2.927 N/A THR 90.A OG1 SER 86.A O no hydrogen 3.369 N/A THR 90.A OG1 GLN 119.A OE1 no hydrogen 3.052 N/A ALA 91.A N SER 87.A O no hydrogen 2.896 N/A ALA 92.A N GLU 88.A O no hydrogen 2.910 N/A LEU 93.A N VAL 89.A O no hydrogen 2.867 N/A ARG 94.A N THR 90.A O no hydrogen 2.919 N/A ARG 94.A NH1 LYS 453.A O no hydrogen 3.281 N/A VAL 95.A N ALA 91.A O no hydrogen 2.925 N/A VAL 95.A N ALA 92.A O no hydrogen 3.196 N/A THR 96.A N LEU 93.A O no hydrogen 3.405 N/A THR 96.A OG1 ALA 92.A O no hydrogen 2.238 N/A ASP 97.A N ASN 21.A O no hydrogen 2.634 N/A GLY 98.A N ASN 21.A O no hydrogen 2.896 N/A ALA 99.A N LYS 126.A O no hydrogen 2.939 N/A LEU 100.A N SER 23.A O no hydrogen 2.882 N/A VAL 101.A N VAL 128.A O no hydrogen 2.870 N/A VAL 102.A N ILE 25.A O no hydrogen 2.932 N/A VAL 103.A N VAL 130.A O no hydrogen 2.892 N/A ASP 104.A N HIS 30.A ND1 no hydrogen 3.141 N/A THR 105.A N ASN 132.A O no hydrogen 3.018 N/A GLU 107.A N ASP 104.A OD1 no hydrogen 2.267 N/A GLY 108.A N ASP 104.A O no hydrogen 2.777 N/A CYS 110.A SG HIS 30.A NE2 no hydrogen 3.557 N/A CYS 110.A SG GLU 107.A O no hydrogen 3.666 N/A CYS 110.A SG GLU 107.A OE1 no hydrogen 3.603 N/A CYS 110.A SG GLY 108.A O no hydrogen 3.617 N/A GLN 112.A N HIS 27.A ND1 no hydrogen 3.289 N/A GLN 112.A NE2 GLY 81.A O no hydrogen 3.060 N/A GLU 114.A N CYS 110.A O no hydrogen 2.939 N/A THR 115.A N VAL 111.A O no hydrogen 2.913 N/A THR 115.A OG1 VAL 111.A O no hydrogen 3.022 N/A THR 115.A OG1 GLN 112.A OE1 no hydrogen 3.517 N/A VAL 116.A N GLN 112.A O no hydrogen 2.900 N/A LEU 117.A N THR 113.A O no hydrogen 2.938 N/A ARG 118.A N GLU 114.A O no hydrogen 2.888 N/A GLN 119.A N THR 115.A O no hydrogen 2.935 N/A GLN 119.A NE2 THR 115.A O no hydrogen 3.664 N/A ALA 120.A N VAL 116.A O no hydrogen 2.922 N/A LEU 121.A N LEU 117.A O no hydrogen 2.910 N/A GLY 122.A N ARG 118.A O no hydrogen 2.890 N/A GLU 123.A N GLN 119.A O no hydrogen 2.940 N/A ARG 124.A N LEU 121.A O no hydrogen 3.259 N/A ARG 124.A NH1 TYR 325.A O no hydrogen 2.909 N/A ARG 124.A NH2 ASP 168.A OD2 no hydrogen 2.630 N/A ILE 125.A N ALA 120.A O no hydrogen 2.939 N/A VAL 128.A N ALA 99.A O no hydrogen 2.889 N/A VAL 129.A N THR 182.A O no hydrogen 2.932 N/A VAL 130.A N VAL 101.A O no hydrogen 2.918 N/A ILE 131.A N ALA 184.A O no hydrogen 2.885 N/A ASN 132.A N VAL 103.A O no hydrogen 2.664 N/A ASN 132.A ND2 HIS 30.A O no hydrogen 3.366 N/A LYS 133.A NZ ASP 29.A O no hydrogen 2.811 N/A ALA 137.A N LYS 133.A O no hydrogen 2.982 N/A LEU 138.A N VAL 134.A O no hydrogen 2.866 N/A LEU 138.A N ASP 135.A O no hydrogen 3.193 N/A LEU 139.A N ASP 135.A O no hydrogen 2.925 N/A GLU 140.A N ARG 136.A O no hydrogen 2.880 N/A GLN 142.A NE2 GLU 140.A O no hydrogen 3.654 N/A LYS 145.A N SER 144.A OG no hydrogen 2.827 N/A LYS 145.A NZ GLU 244.A OE1 no hydrogen 2.525 N/A TYR 149.A N LYS 145.A O no hydrogen 2.996 N/A GLN 150.A N GLU 146.A O no hydrogen 2.868 N/A GLN 150.A NE2 GLU 146.A OE2 no hydrogen 2.653 N/A THR 151.A N ASP 147.A O no hydrogen 2.885 N/A THR 151.A OG1 ASP 147.A O no hydrogen 3.020 N/A THR 151.A OG1 LEU 148.A O no hydrogen 2.487 N/A PHE 152.A N LEU 148.A O no hydrogen 2.972 N/A ALA 153.A N TYR 149.A O no hydrogen 2.904 N/A ARG 154.A N GLN 150.A O no hydrogen 2.876 N/A ARG 154.A NE GLU 157.A OE1 no hydrogen 3.517 N/A ARG 154.A NH1 GLN 150.A OE1 no hydrogen 2.572 N/A ARG 154.A NH2 GLU 157.A OE2 no hydrogen 2.713 N/A THR 155.A N THR 151.A O no hydrogen 2.935 N/A THR 155.A OG1 THR 151.A O no hydrogen 3.098 N/A VAL 156.A N PHE 152.A O no hydrogen 2.948 N/A GLU 157.A N ALA 153.A O no hydrogen 2.892 N/A SER 158.A N ARG 154.A O no hydrogen 2.917 N/A SER 158.A OG ARG 154.A O no hydrogen 3.006 N/A VAL 159.A N THR 155.A O no hydrogen 2.968 N/A ASN 160.A N VAL 156.A O no hydrogen 2.892 N/A ASN 160.A ND2 VAL 176.A O no hydrogen 2.542 N/A VAL 161.A N GLU 157.A O no hydrogen 2.870 N/A ILE 162.A N SER 158.A O no hydrogen 3.032 N/A VAL 163.A N VAL 159.A O no hydrogen 2.907 N/A SER 164.A N ASN 160.A O no hydrogen 2.841 N/A SER 164.A OG ASN 160.A O no hydrogen 2.326 N/A SER 164.A OG VAL 161.A O no hydrogen 2.951 N/A THR 165.A N VAL 161.A O no hydrogen 2.990 N/A TYR 166.A N ILE 162.A O no hydrogen 2.957 N/A ALA 167.A N VAL 163.A O no hydrogen 2.867 N/A ASP 173.A N LEU 171.A O no hydrogen 2.916 N/A GLN 175.A NE2 ASN 160.A O no hydrogen 2.630 N/A VAL 176.A N ASN 160.A OD1 no hydrogen 2.757 N/A TYR 177.A N THR 182.A OG1 no hydrogen 2.834 N/A GLY 181.A N PRO 178.A O no hydrogen 3.071 N/A THR 182.A N TYR 177.A O no hydrogen 3.028 N/A THR 182.A OG1 TYR 177.A O no hydrogen 2.711 N/A ALA 184.A N VAL 129.A O no hydrogen 2.874 N/A PHE 185.A N PHE 194.A O no hydrogen 2.918 N/A GLY 186.A N ILE 131.A O no hydrogen 3.171 N/A SER 187.A N TRP 192.A O no hydrogen 2.711 N/A SER 187.A OG ASP 135.A OD1 no hydrogen 2.755 N/A GLY 188.A N ASN 132.A OD1 no hydrogen 2.575 N/A HIS 190.A N SER 187.A OG no hydrogen 3.138 N/A GLY 191.A N GLY 188.A O no hydrogen 3.204 N/A TRP 192.A N SER 187.A O no hydrogen 3.129 N/A ALA 193.A N LEU 302.A O no hydrogen 3.012 N/A PHE 194.A N PHE 185.A O no hydrogen 2.648 N/A PHE 199.A N THR 195.A O no hydrogen 2.970 N/A ALA 200.A N ILE 196.A O no hydrogen 2.866 N/A THR 201.A N ARG 197.A O no hydrogen 2.912 N/A THR 201.A OG1 ARG 197.A O no hydrogen 3.483 N/A ARG 202.A N GLN 198.A O no hydrogen 2.916 N/A TYR 203.A N PHE 199.A O no hydrogen 2.911 N/A TYR 203.A OH PHE 250.A O no hydrogen 2.288 N/A ALA 204.A N ALA 200.A O no hydrogen 2.867 N/A LYS 205.A N THR 201.A O no hydrogen 2.932 N/A LYS 206.A N ARG 202.A O no hydrogen 2.925 N/A PHE 207.A N TYR 203.A O no hydrogen 2.862 N/A GLY 208.A N ALA 204.A O no hydrogen 2.915 N/A LYS 211.A NZ GLU 62.A OE1 no hydrogen 3.569 N/A ALA 212.A N ASP 210.A OD1 no hydrogen 2.987 N/A LYS 213.A N ASP 210.A OD2 no hydrogen 3.394 N/A MET 215.A N LYS 211.A O no hydrogen 2.914 N/A ARG 217.A N MET 214.A O no hydrogen 3.200 N/A LEU 218.A N MET 214.A O no hydrogen 2.889 N/A SER 222.A N GLY 220.A O no hydrogen 2.899 N/A PHE 223.A N THR 232.A O no hydrogen 3.257 N/A THR 232.A OG1 PHE 223.A O no hydrogen 3.394 N/A THR 232.A OG1 LYS 234.A O no hydrogen 3.489 N/A THR 236.A OG1 ASP 235.A O no hydrogen 2.372 N/A ALA 238.A N ASP 235.A O no hydrogen 3.059 N/A GLY 240.A N ASP 237.A O no hydrogen 3.135 N/A ARG 245.A NH1 GLY 220.A O no hydrogen 3.142 N/A ARG 245.A NH1 ASP 221.A OD2 no hydrogen 3.167 N/A ALA 246.A N SER 222.A O no hydrogen 2.710 N/A MET 249.A N ARG 245.A O no hydrogen 2.903 N/A PHE 250.A N ALA 246.A O no hydrogen 2.880 N/A ILE 251.A N PHE 247.A O no hydrogen 2.981 N/A LEU 252.A N PHE 247.A O no hydrogen 2.849 N/A PHE 256.A N LEU 252.A O no hydrogen 2.887 N/A ARG 257.A N ASP 253.A O no hydrogen 2.892 N/A LEU 258.A N PRO 254.A O no hydrogen 2.950 N/A PHE 259.A N ILE 255.A O no hydrogen 2.901 N/A THR 260.A N PHE 256.A O no hydrogen 2.857 N/A THR 260.A OG1 PHE 256.A O no hydrogen 2.855 N/A THR 260.A OG1 ARG 257.A O no hydrogen 2.836 N/A ALA 261.A N ARG 257.A O no hydrogen 2.938 N/A ILE 262.A N LEU 258.A O no hydrogen 2.959 N/A MET 263.A N PHE 259.A O no hydrogen 2.899 N/A ASN 264.A N THR 260.A O no hydrogen 2.879 N/A PHE 265.A N ILE 262.A O no hydrogen 3.158 N/A LYS 266.A N ALA 261.A O no hydrogen 2.924 N/A GLU 269.A N LYS 266.A O no hydrogen 2.857 N/A ILE 270.A N LYS 266.A O no hydrogen 2.904 N/A LEU 273.A N GLU 269.A O no hydrogen 3.479 N/A LEU 274.A N ILE 270.A O no hydrogen 2.918 N/A GLU 275.A N PRO 271.A O no hydrogen 2.904 N/A LYS 276.A N VAL 272.A O no hydrogen 2.879 N/A LEU 277.A N LEU 273.A O no hydrogen 2.939 N/A GLU 278.A N GLU 275.A O no hydrogen 3.262 N/A ILE 279.A N LEU 274.A O no hydrogen 2.922 N/A LYS 286.A NZ LYS 282.A O no hydrogen 3.363 N/A LYS 291.A NZ HIS 190.A NE2 no hydrogen 3.106 N/A ALA 292.A N GLU 289.A O no hydrogen 3.104 N/A LEU 293.A N GLU 289.A O no hydrogen 2.636 N/A VAL 296.A N LEU 293.A O no hydrogen 3.063 N/A VAL 297.A N LEU 293.A O no hydrogen 2.930 N/A MET 298.A N LEU 294.A O no hydrogen 2.892 N/A ARG 299.A NH1 LYS 295.A O no hydrogen 3.483 N/A LYS 300.A N VAL 296.A O no hydrogen 2.982 N/A PHE 301.A N VAL 297.A O no hydrogen 2.868 N/A LEU 302.A N MET 298.A O no hydrogen 2.937 N/A ALA 304.A N GLY 191.A O no hydrogen 3.436 N/A ALA 307.A N PRO 303.A O no hydrogen 2.995 N/A LEU 308.A N ALA 304.A O no hydrogen 2.885 N/A LEU 309.A N ALA 305.A O no hydrogen 2.883 N/A MET 311.A N ALA 307.A O no hydrogen 2.988 N/A ILE 312.A N LEU 308.A O no hydrogen 2.894 N/A VAL 313.A N LEU 309.A O no hydrogen 2.897 N/A LEU 314.A N GLU 310.A O no hydrogen 2.917 N/A HIS 315.A N MET 311.A O no hydrogen 2.954 N/A LEU 316.A N ILE 312.A O no hydrogen 2.923 N/A THR 321.A N SER 318.A O no hydrogen 3.109 N/A THR 321.A OG1 SER 318.A O no hydrogen 3.174 N/A ALA 322.A N SER 318.A O no hydrogen 2.905 N/A ALA 322.A N PRO 319.A O no hydrogen 3.196 N/A GLN 323.A N PRO 319.A O no hydrogen 2.887 N/A GLN 323.A NE2 ILE 343.A O no hydrogen 2.570 N/A GLN 323.A NE2 PHE 375.A O no hydrogen 2.941 N/A TYR 325.A N ALA 322.A O no hydrogen 3.231 N/A ARG 326.A N ALA 322.A O no hydrogen 2.937 N/A ARG 326.A NH1 LEU 93.A O no hydrogen 3.260 N/A ARG 326.A NH1 GLU 123.A O no hydrogen 3.455 N/A ARG 326.A NH2 ARG 94.A O no hydrogen 3.443 N/A ARG 326.A NH2 ASP 97.A OD1 no hydrogen 3.547 N/A ALA 327.A N GLN 323.A O no hydrogen 2.881 N/A GLN 329.A NE2 GLU 123.A O no hydrogen 3.244 N/A LEU 330.A N ARG 326.A O no hydrogen 3.040 N/A LEU 330.A N ALA 327.A O no hydrogen 3.202 N/A TYR 331.A OH ASP 337.A OD2 no hydrogen 2.932 N/A GLU 332.A N GLU 332.A OE1 no hydrogen 2.584 N/A CYS 340.A SG ALA 335.A O no hydrogen 3.626 N/A ILE 341.A N ASP 337.A O no hydrogen 2.998 N/A ALA 342.A N ALA 338.A O no hydrogen 2.877 N/A ILE 343.A N ASN 339.A O no hydrogen 2.905 N/A LYS 344.A N CYS 340.A O no hydrogen 2.921 N/A ASN 345.A N ILE 341.A O no hydrogen 2.884 N/A CYS 346.A N ALA 342.A O no hydrogen 2.897 N/A CYS 346.A N ILE 343.A O no hydrogen 3.297 N/A CYS 346.A SG GLN 323.A OE1 no hydrogen 3.268 N/A LEU 352.A N THR 445.A OG1 no hydrogen 2.620 N/A MET 353.A N ALA 376.A O no hydrogen 2.833 N/A LEU 354.A N LEU 443.A O no hydrogen 2.921 N/A TYR 355.A N ARG 373.A O no hydrogen 2.722 N/A TYR 355.A OH LYS 453.A O no hydrogen 3.374 N/A VAL 356.A N GLY 441.A O no hydrogen 2.842 N/A SER 357.A N PHE 371.A O no hydrogen 2.734 N/A SER 357.A OG PHE 371.A O no hydrogen 3.458 N/A LYS 358.A N PHE 371.A O no hydrogen 2.930 N/A LYS 358.A NZ SER 46.A O no hydrogen 2.296 N/A VAL 360.A N TYR 369.A O no hydrogen 2.903 N/A THR 362.A OG1 ASP 364.A O no hydrogen 3.154 N/A LYS 365.A NZ ASP 522.A O no hydrogen 2.655 N/A LYS 365.A NZ ASP 522.A OD1 no hydrogen 2.471 N/A ARG 367.A NH2 TYR 369.A OH no hydrogen 2.642 N/A ALA 370.A N LEU 430.A O no hydrogen 3.423 N/A PHE 371.A N LYS 358.A O no hydrogen 2.865 N/A ARG 373.A N TYR 355.A O no hydrogen 2.886 N/A ARG 373.A NH1 ASP 97.A OD1 no hydrogen 2.420 N/A ARG 373.A NH2 GLN 323.A OE1 no hydrogen 2.725 N/A VAL 374.A N ASN 426.A O no hydrogen 3.398 N/A PHE 375.A N MET 353.A O no hydrogen 2.929 N/A ALA 376.A N MET 353.A O no hydrogen 3.312 N/A GLY 377.A N ASP 347.A O no hydrogen 3.138 N/A THR 378.A OG1 PRO 348.A O no hydrogen 2.565 N/A VAL 379.A N CYS 422.A O no hydrogen 3.211 N/A LYS 380.A N GLN 383.A OE1 no hydrogen 2.561 N/A LYS 380.A NZ THR 378.A O no hydrogen 2.661 N/A SER 381.A N ASP 420.A O no hydrogen 3.106 N/A SER 381.A OG ILE 419.A O no hydrogen 3.350 N/A VAL 385.A N LYS 403.A O no hydrogen 2.830 N/A ARG 386.A N THR 444.A O no hydrogen 2.873 N/A ARG 386.A NH2 TYR 392.A OH no hydrogen 3.534 N/A ILE 387.A N PHE 401.A O no hydrogen 2.858 N/A GLN 388.A N THR 442.A O no hydrogen 2.894 N/A GLN 388.A NE2 ALA 449.A O no hydrogen 2.888 N/A TYR 392.A N GLY 389.A O no hydrogen 3.013 N/A VAL 393.A N ASP 398.A OD2 no hydrogen 3.373 N/A ASP 399.A N ASP 398.A OD1 no hydrogen 2.489 N/A LEU 400.A N ASP 398.A O no hydrogen 2.529 N/A PHE 401.A N ILE 387.A O no hydrogen 2.912 N/A ILE 405.A N GLN 383.A O no hydrogen 3.349 N/A GLN 406.A N VAL 431.A O no hydrogen 3.077 N/A ARG 407.A N VAL 431.A O no hydrogen 2.905 N/A VAL 408.A N SER 381.A OG no hydrogen 2.635 N/A VAL 409.A N GLY 429.A O no hydrogen 2.480 N/A LEU 410.A N GLU 417.A O no hydrogen 2.825 N/A ARG 414.A N MET 412.A O no hydrogen 2.547 N/A GLU 417.A N LEU 410.A O no hydrogen 2.965 N/A ILE 419.A N VAL 408.A O no hydrogen 2.885 N/A CYS 422.A N VAL 379.A O no hydrogen 3.185 N/A CYS 422.A SG PRO 423.A O no hydrogen 3.220 N/A GLY 425.A N VAL 374.A O no hydrogen 2.403 N/A ASN 426.A ND2 PRO 423.A O no hydrogen 2.943 N/A ILE 428.A N GLY 372.A O no hydrogen 3.412 N/A GLY 429.A N VAL 409.A O no hydrogen 2.447 N/A LEU 430.A N ALA 370.A O no hydrogen 3.182 N/A VAL 431.A N ARG 407.A O no hydrogen 2.604 N/A GLN 435.A N GLN 435.A OE1 no hydrogen 2.571 N/A GLN 435.A NE2 GLY 432.A O no hydrogen 3.425 N/A LYS 439.A NZ PRO 490.A O no hydrogen 2.613 N/A GLY 441.A N VAL 356.A O no hydrogen 2.986 N/A THR 442.A OG1 LEU 354.A O no hydrogen 3.433 N/A LEU 443.A N LEU 354.A O no hydrogen 2.807 N/A THR 444.A N ARG 386.A O no hydrogen 2.943 N/A THR 444.A OG1 GLN 388.A OE1 no hydrogen 3.086 N/A THR 444.A OG1 SER 446.A O no hydrogen 3.194 N/A THR 445.A N LEU 352.A O no hydrogen 2.951 N/A THR 445.A OG1 LEU 352.A O no hydrogen 3.536 N/A THR 448.A N SER 446.A OG no hydrogen 3.187 N/A HIS 450.A N TYR 331.A OH no hydrogen 3.149 N/A ASN 451.A ND2 GLY 389.A O no hydrogen 3.685 N/A SER 458.A OG GLN 119.A OE1 no hydrogen 2.623 N/A SER 460.A OG PRO 767.A O no hydrogen 3.248 N/A VAL 462.A N GLY 506.A O no hydrogen 2.715 N/A VAL 463.A N GLY 506.A O no hydrogen 2.911 N/A VAL 465.A N VAL 504.A O no hydrogen 2.922 N/A ALA 466.A N SER 531.A O no hydrogen 2.881 N/A VAL 467.A N HIS 502.A O no hydrogen 2.907 N/A GLU 468.A N LYS 529.A O no hydrogen 2.972 N/A VAL 469.A N GLU 468.A OE2 no hydrogen 2.987 N/A LYS 470.A N PRO 527.A O no hydrogen 2.917 N/A ASP 474.A N ASN 471.A O no hydrogen 3.424 N/A LEU 478.A N ASP 474.A O no hydrogen 2.954 N/A VAL 479.A N LEU 475.A O no hydrogen 2.881 N/A GLU 480.A N PRO 476.A O no hydrogen 2.921 N/A GLY 481.A N LYS 477.A O no hydrogen 2.894 N/A LEU 482.A N LEU 478.A O no hydrogen 2.867 N/A LYS 483.A N VAL 479.A O no hydrogen 2.936 N/A ARG 484.A N GLU 480.A O no hydrogen 2.928 N/A ARG 484.A NH2 HIS 523.A O no hydrogen 2.299 N/A LEU 485.A N GLY 481.A O no hydrogen 2.886 N/A SER 486.A N LEU 482.A O no hydrogen 2.917 N/A LYS 487.A N ARG 484.A O no hydrogen 3.356 N/A SER 488.A N ARG 484.A O no hydrogen 2.917 N/A SER 488.A OG ARG 484.A O no hydrogen 3.442 N/A SER 488.A OG LEU 485.A O no hydrogen 3.062 N/A SER 488.A OG HIS 523.A NE2 no hydrogen 3.147 N/A ASP 489.A N LEU 485.A O no hydrogen 2.940 N/A CYS 491.A SG VAL 459.A O no hydrogen 3.842 N/A CYS 491.A SG THR 507.A OG1 no hydrogen 3.635 N/A LEU 493.A N ALA 505.A O no hydrogen 2.940 N/A TYR 495.A N ILE 503.A O no hydrogen 2.990 N/A SER 497.A N GLU 501.A O no hydrogen 2.917 N/A SER 499.A N SER 497.A OG no hydrogen 2.856 N/A GLY 500.A N SER 497.A O no hydrogen 3.202 N/A GLU 501.A N SER 497.A OG no hydrogen 3.372 N/A ILE 503.A N TYR 495.A O no hydrogen 2.854 N/A VAL 504.A N VAL 465.A O no hydrogen 2.892 N/A ALA 505.A N LEU 493.A O no hydrogen 2.829 N/A GLY 506.A N VAL 463.A O no hydrogen 2.870 N/A THR 507.A N HIS 511.A ND1 no hydrogen 3.089 N/A HIS 511.A NE2 ASP 489.A OD1 no hydrogen 3.157 N/A HIS 511.A NE2 ASP 489.A OD2 no hydrogen 2.995 N/A LEU 512.A N GLY 508.A O no hydrogen 2.870 N/A GLU 513.A N GLU 509.A O no hydrogen 2.896 N/A ILE 514.A N LEU 510.A O no hydrogen 2.946 N/A CYS 515.A N HIS 511.A O no hydrogen 2.898 N/A CYS 515.A SG ASP 489.A OD2 no hydrogen 3.162 N/A CYS 515.A SG HIS 511.A NE2 no hydrogen 3.153 N/A CYS 515.A SG HIS 511.A O no hydrogen 3.343 N/A LEU 516.A N LEU 512.A O no hydrogen 2.851 N/A GLN 517.A N GLU 513.A O no hydrogen 2.929 N/A ASP 518.A N ILE 514.A O no hydrogen 2.928 N/A LEU 519.A N CYS 515.A O no hydrogen 2.863 N/A GLU 520.A N LEU 516.A O no hydrogen 2.881 N/A HIS 521.A N GLN 517.A O no hydrogen 2.953 N/A ASP 522.A N ASP 518.A O no hydrogen 2.849 N/A HIS 523.A N ASP 518.A O no hydrogen 2.779 N/A HIS 523.A ND1 ASP 518.A O no hydrogen 3.180 N/A ALA 524.A N LEU 519.A O no hydrogen 2.940 N/A GLY 525.A N LEU 519.A O no hydrogen 3.243 N/A LYS 529.A N GLU 468.A O no hydrogen 2.833 N/A LYS 529.A NZ VAL 469.A O no hydrogen 2.973 N/A SER 531.A N ALA 466.A O no hydrogen 2.909 N/A VAL 534.A N GLU 501.A OE1 no hydrogen 3.379 N/A TYR 537.A N GLU 653.A OE2 no hydrogen 2.893 N/A ARG 538.A N GLN 698.A O no hydrogen 2.933 N/A ARG 538.A NH1 TYR 537.A O no hydrogen 3.174 N/A ARG 538.A NH2 GLU 498.A OE1 no hydrogen 2.871 N/A GLU 539.A N GLU 654.A O no hydrogen 2.959 N/A THR 540.A N LYS 696.A O no hydrogen 2.886 N/A THR 540.A OG1 ARG 656.A O no hydrogen 2.646 N/A GLU 542.A N ALA 693.A O no hydrogen 3.265 N/A GLU 542.A N ASP 694.A O no hydrogen 3.211 N/A SER 543.A OG GLU 542.A O no hydrogen 3.102 N/A SER 545.A OG GLN 547.A O no hydrogen 3.417 N/A SER 545.A OG GLY 689.A O no hydrogen 3.565 N/A ALA 549.A N LEU 562.A O no hydrogen 2.915 N/A SER 551.A N ILE 560.A O no hydrogen 2.924 N/A SER 551.A OG TYR 811.A O no hydrogen 2.721 N/A LYS 552.A N ASP 813.A OD2 no hydrogen 2.591 N/A SER 553.A N ASN 558.A O no hydrogen 2.879 N/A SER 553.A OG ASN 558.A O no hydrogen 3.534 N/A SER 553.A OG GLN 677.A O no hydrogen 2.921 N/A SER 553.A OG THR 681.A OG1 no hydrogen 2.851 N/A ASN 555.A N GLN 677.A OE1 no hydrogen 3.118 N/A LYS 556.A N SER 553.A O no hydrogen 2.972 N/A LYS 556.A NZ PRO 554.A O no hydrogen 3.402 N/A HIS 557.A N ASN 555.A OD1 no hydrogen 3.038 N/A ASN 558.A ND2 SER 553.A OG no hydrogen 2.897 N/A ARG 559.A N THR 666.A O no hydrogen 2.880 N/A ILE 560.A N SER 551.A O no hydrogen 2.900 N/A TYR 561.A N ASP 664.A O no hydrogen 2.838 N/A LEU 562.A N ALA 549.A O no hydrogen 2.914 N/A LYS 563.A N ASN 661.A O no hydrogen 2.910 N/A GLU 565.A N ARG 659.A O no hydrogen 2.816 N/A ILE 567.A N GLU 565.A O no hydrogen 3.160 N/A SER 572.A N ASP 568.A O no hydrogen 2.923 N/A SER 572.A OG ASP 568.A O no hydrogen 2.996 N/A SER 572.A OG SER 657.A OG no hydrogen 2.469 N/A LEU 573.A N GLU 569.A O no hydrogen 2.878 N/A ALA 574.A N GLU 570.A O no hydrogen 2.911 N/A ILE 575.A N VAL 571.A O no hydrogen 2.922 N/A GLU 576.A N SER 572.A O no hydrogen 2.931 N/A ASN 577.A N LEU 573.A O no hydrogen 2.867 N/A GLY 578.A N ILE 575.A O no hydrogen 3.379 N/A ILE 580.A N ALA 574.A O no hydrogen 3.230 N/A ASP 584.A N ASN 581.A O no hydrogen 3.156 N/A ASP 585.A N ASP 584.A OD1 no hydrogen 2.774 N/A ALA 588.A N ASP 585.A O no hydrogen 3.425 N/A ARG 589.A N ASP 585.A O no hydrogen 2.945 N/A ARG 589.A NH1 ASN 581.A O no hydrogen 3.337 N/A ARG 589.A NH1 PRO 582.A O no hydrogen 3.268 N/A ARG 591.A NH2 ASP 595.A OD1 no hydrogen 2.745 N/A ILE 592.A N ALA 588.A O no hydrogen 2.933 N/A MET 593.A N ARG 589.A O no hydrogen 2.920 N/A ALA 594.A N ALA 590.A O no hydrogen 2.892 N/A ASP 595.A N ARG 591.A O no hydrogen 2.911 N/A ASP 596.A N ILE 592.A O no hydrogen 2.920 N/A TYR 597.A N MET 593.A O no hydrogen 3.171 N/A TRP 599.A N MET 593.A O no hydrogen 3.223 N/A THR 602.A N ASP 600.A OD1 no hydrogen 2.800 N/A THR 602.A OG1 ASP 600.A OD1 no hydrogen 2.529 N/A ALA 604.A N ASP 600.A O no hydrogen 2.904 N/A ARG 605.A N VAL 601.A O no hydrogen 2.886 N/A LYS 606.A N THR 602.A O no hydrogen 2.927 N/A TRP 608.A N VAL 620.A O no hydrogen 3.015 N/A GLY 611.A N ASN 618.A O no hydrogen 2.998 N/A GLY 614.A N GLN 642.A OE1 no hydrogen 2.664 N/A ASN 615.A N PRO 612.A O no hydrogen 3.355 N/A ASN 618.A ND2 GLY 611.A O no hydrogen 2.391 N/A ASN 618.A ND2 MET 655.A O no hydrogen 2.875 N/A LEU 619.A N VAL 658.A O no hydrogen 2.945 N/A ILE 621.A N VAL 660.A O no hydrogen 2.859 N/A ASP 622.A N LYS 606.A O no hydrogen 3.178 N/A GLN 623.A N ILE 662.A O no hydrogen 2.930 N/A GLN 623.A NE2 ASP 603.A OD1 no hydrogen 2.447 N/A THR 624.A N ASP 622.A OD1 no hydrogen 3.096 N/A THR 624.A OG1 ASP 622.A OD1 no hydrogen 2.271 N/A ILE 633.A N LEU 630.A O no hydrogen 3.226 N/A LYS 634.A NZ TRP 608.A O no hydrogen 3.444 N/A VAL 637.A N ILE 633.A O no hydrogen 2.915 N/A VAL 638.A N LYS 634.A O no hydrogen 2.890 N/A ALA 639.A N ASP 635.A O no hydrogen 2.939 N/A ALA 640.A N SER 636.A O no hydrogen 2.918 N/A PHE 641.A N VAL 637.A O no hydrogen 2.857 N/A GLN 642.A N VAL 638.A O no hydrogen 2.911 N/A GLN 642.A NE2 PHE 610.A O no hydrogen 2.424 N/A TRP 643.A N ALA 639.A O no hydrogen 2.965 N/A ALA 644.A N ALA 640.A O no hydrogen 2.876 N/A THR 645.A N PHE 641.A O no hydrogen 2.870 N/A THR 645.A OG1 PHE 641.A O no hydrogen 2.444 N/A THR 645.A OG1 GLN 642.A O no hydrogen 3.251 N/A LYS 646.A N GLN 642.A O no hydrogen 2.925 N/A LYS 646.A N TRP 643.A O no hydrogen 3.262 N/A LYS 646.A NZ GLU 654.A OE2 no hydrogen 3.395 N/A GLU 647.A N TRP 643.A O no hydrogen 2.927 N/A GLY 648.A N GLU 653.A O no hydrogen 2.716 N/A ILE 650.A N GLU 539.A OE1 no hydrogen 2.839 N/A PHE 651.A N GLU 539.A OE2 no hydrogen 3.457 N/A GLY 652.A N GLY 648.A O no hydrogen 3.144 N/A GLU 653.A N GLU 539.A OE2 no hydrogen 2.592 N/A MET 655.A N THR 645.A O no hydrogen 2.848 N/A ARG 656.A N GLU 539.A O no hydrogen 2.925 N/A ARG 656.A NE GLN 698.A OE1 no hydrogen 2.724 N/A ARG 656.A NH1 GLU 576.A OE1 no hydrogen 3.297 N/A SER 657.A N PRO 617.A O no hydrogen 2.845 N/A SER 657.A OG SER 572.A OG no hydrogen 2.469 N/A VAL 658.A N ASN 618.A OD1 no hydrogen 3.114 N/A ARG 659.A N GLU 565.A O no hydrogen 2.937 N/A ARG 659.A NE ASN 661.A OD1 no hydrogen 2.442 N/A ARG 659.A NH2 ASN 661.A OD1 no hydrogen 2.832 N/A VAL 660.A N LEU 619.A O no hydrogen 2.860 N/A ASN 661.A N LYS 563.A O no hydrogen 2.871 N/A ASN 661.A ND2 GLU 565.A OE1 no hydrogen 3.444 N/A ILE 662.A N ILE 621.A O no hydrogen 2.877 N/A ASP 664.A N TYR 561.A O no hydrogen 2.993 N/A THR 666.A N ARG 559.A O no hydrogen 2.880 N/A HIS 668.A N ASN 558.A OD1 no hydrogen 3.130 N/A ASP 670.A N HIS 668.A ND1 no hydrogen 3.077 N/A ARG 673.A NE HIS 668.A O no hydrogen 2.722 N/A ARG 673.A NH2 ALA 669.A O no hydrogen 2.845 N/A GLN 677.A N GLY 674.A O no hydrogen 3.199 N/A ILE 678.A N GLY 674.A O no hydrogen 2.913 N/A ILE 679.A N GLY 675.A O no hydrogen 2.915 N/A THR 681.A OG1 SER 553.A OG no hydrogen 2.851 N/A THR 681.A OG1 GLN 677.A O no hydrogen 2.269 N/A MET 682.A N ILE 678.A O no hydrogen 2.766 N/A ARG 683.A N ILE 679.A O no hydrogen 2.945 N/A ARG 684.A N PRO 680.A O no hydrogen 2.913 N/A ALA 685.A N THR 681.A O no hydrogen 2.920 N/A THR 686.A N MET 682.A O no hydrogen 2.882 N/A THR 686.A OG1 MET 682.A O no hydrogen 2.915 N/A TYR 687.A N ARG 683.A O no hydrogen 2.907 N/A TYR 687.A OH GLU 647.A O no hydrogen 2.244 N/A ALA 688.A N ARG 684.A O no hydrogen 2.899 N/A GLY 689.A N ALA 685.A O no hydrogen 2.908 N/A PHE 690.A N THR 686.A O no hydrogen 2.890 N/A LEU 691.A N TYR 687.A O no hydrogen 2.896 N/A LEU 692.A N ALA 688.A O no hydrogen 2.894 N/A LEU 692.A N GLY 689.A O no hydrogen 3.270 N/A ALA 693.A N GLY 689.A O no hydrogen 2.933 N/A ALA 693.A N PHE 690.A O no hydrogen 3.180 N/A LYS 696.A N THR 540.A O no hydrogen 2.902 N/A LYS 696.A NZ ASP 694.A OD2 no hydrogen 3.413 N/A GLN 698.A N ARG 538.A O no hydrogen 2.822 N/A GLN 698.A NE2 THR 776.A OG1 no hydrogen 2.757 N/A GLU 699.A N SER 775.A O no hydrogen 2.736 N/A VAL 701.A N HIS 773.A O no hydrogen 2.937 N/A PHE 702.A N LEU 745.A O no hydrogen 2.567 N/A LEU 703.A N VAL 770.A O no hydrogen 2.844 N/A VAL 704.A N ALA 743.A O no hydrogen 2.922 N/A GLU 705.A N GLN 768.A O no hydrogen 2.930 N/A ILE 706.A N VAL 741.A O no hydrogen 2.864 N/A GLN 707.A N PHE 766.A O no hydrogen 2.922 N/A GLN 707.A NE2 PHE 739.A O no hydrogen 3.609 N/A CYS 708.A SG PRO 709.A O no hydrogen 2.978 N/A GLN 711.A NE2 GLN 764.A OE1 no hydrogen 2.376 N/A ALA 712.A N PRO 709.A O no hydrogen 3.451 N/A GLY 715.A N ALA 712.A O no hydrogen 3.183 N/A TYR 717.A N VAL 713.A O no hydrogen 2.973 N/A TYR 717.A OH GLU 730.A OE2 no hydrogen 2.272 N/A SER 718.A N GLY 714.A O no hydrogen 2.902 N/A SER 718.A OG GLY 714.A O no hydrogen 3.193 N/A SER 718.A OG GLY 715.A O no hydrogen 2.685 N/A VAL 719.A N GLY 715.A O no hydrogen 2.928 N/A LEU 720.A N ILE 716.A O no hydrogen 2.925 N/A ASN 721.A N TYR 717.A O no hydrogen 2.913 N/A ASN 721.A ND2 TYR 717.A O no hydrogen 2.540 N/A LYS 722.A N SER 718.A O no hydrogen 2.923 N/A LYS 722.A N VAL 719.A O no hydrogen 3.196 N/A LYS 723.A N VAL 719.A O no hydrogen 2.905 N/A LYS 723.A N LEU 720.A O no hydrogen 3.262 N/A LYS 723.A NZ PHE 751.A O no hydrogen 3.087 N/A ARG 724.A NH1 GLU 749.A OE2 no hydrogen 3.529 N/A ARG 724.A NH2 GLU 699.A OE2 no hydrogen 3.063 N/A GLY 725.A N LEU 720.A O no hydrogen 2.595 N/A GLN 726.A N TYR 744.A O no hydrogen 2.922 N/A VAL 728.A N LYS 742.A O no hydrogen 2.686 N/A SER 729.A N LYS 742.A O no hydrogen 2.951 N/A GLU 731.A N THR 740.A O no hydrogen 2.957 N/A ARG 733.A N LEU 738.A O no hydrogen 2.930 N/A THR 736.A N ARG 733.A O no hydrogen 3.097 N/A THR 736.A OG1 ARG 733.A O no hydrogen 3.559 N/A LEU 738.A N THR 736.A OG1 no hydrogen 3.261 N/A PHE 739.A N CYS 708.A O no hydrogen 2.878 N/A THR 740.A N GLU 731.A O no hydrogen 2.832 N/A VAL 741.A N ILE 706.A O no hydrogen 2.946 N/A LYS 742.A N SER 729.A O no hydrogen 2.866 N/A ALA 743.A N VAL 704.A O no hydrogen 2.909 N/A TYR 744.A N GLN 726.A O no hydrogen 2.805 N/A LEU 745.A N PHE 702.A O no hydrogen 2.815 N/A VAL 747.A N PRO 700.A O no hydrogen 2.818 N/A SER 750.A OG VAL 747.A O no hydrogen 2.686 N/A GLU 756.A N GLY 752.A O no hydrogen 2.937 N/A LEU 757.A N PHE 753.A O no hydrogen 2.855 N/A ARG 758.A N THR 754.A O no hydrogen 2.905 N/A ARG 758.A NH1 THR 507.A O no hydrogen 3.546 N/A GLN 759.A N GLY 755.A O no hydrogen 2.931 N/A GLN 759.A NE2 GLN 759.A O no hydrogen 3.645 N/A ALA 760.A N GLU 756.A O no hydrogen 2.897 N/A THR 761.A N LEU 757.A O no hydrogen 2.912 N/A THR 761.A OG1 LEU 757.A O no hydrogen 2.790 N/A GLY 763.A N ARG 758.A O no hydrogen 2.762 N/A GLN 764.A N THR 761.A O no hydrogen 3.378 N/A GLN 764.A NE2 THR 761.A O no hydrogen 2.784 N/A ALA 765.A N THR 761.A OG1 no hydrogen 3.190 N/A PHE 766.A N GLN 707.A O no hydrogen 2.900 N/A GLN 768.A N GLU 705.A O no hydrogen 2.910 N/A VAL 770.A N LEU 703.A O no hydrogen 2.954 N/A ASP 772.A N VAL 701.A O no hydrogen 3.109 N/A HIS 773.A ND1 TRP 774.A O no hydrogen 3.375 N/A SER 775.A N GLU 699.A O no hydrogen 2.793 N/A LEU 777.A N ILE 697.A O no hydrogen 2.780 N/A LEU 782.A N ASP 780.A OD1 no hydrogen 3.192 N/A ASP 783.A N ASP 780.A OD2 no hydrogen 2.509 N/A THR 785.A N ASP 783.A OD1 no hydrogen 3.238 N/A THR 785.A OG1 ASP 783.A OD1 no hydrogen 3.412 N/A THR 785.A OG1 ASP 783.A OD2 no hydrogen 2.849 N/A SER 786.A N ASP 783.A O no hydrogen 3.148 N/A SER 786.A OG ASP 780.A O no hydrogen 2.286 N/A SER 786.A OG ASP 783.A O no hydrogen 3.246 N/A ALA 788.A N SER 779.A OG no hydrogen 2.989 N/A GLY 789.A N SER 786.A OG no hydrogen 2.706 N/A GLU 790.A N SER 786.A O no hydrogen 2.913 N/A VAL 792.A N ALA 788.A O no hydrogen 2.948 N/A LEU 793.A N GLY 789.A O no hydrogen 2.882 N/A ALA 794.A N GLU 790.A O no hydrogen 2.914 N/A ALA 795.A N ILE 791.A O no hydrogen 2.905 N/A ARG 796.A N VAL 792.A O no hydrogen 2.904 N/A ARG 796.A NE ILE 650.A O no hydrogen 2.781 N/A ARG 796.A NH1 LYS 802.A O no hydrogen 3.076 N/A ARG 796.A NH2 ILE 650.A O no hydrogen 2.746 N/A LYS 797.A N LEU 793.A O no hydrogen 2.914 N/A ARG 798.A N ALA 794.A O no hydrogen 2.925 N/A HIS 799.A N ALA 795.A O no hydrogen 2.889 N/A GLY 800.A N LYS 797.A O no hydrogen 3.170 N/A VAL 805.A N GLU 804.A OE1 no hydrogen 2.994 N/A GLN 809.A N GLN 809.A OE1 no hydrogen 3.025 N/A TYR 812.A N GLN 809.A O no hydrogen 3.138 N/A ASP 813.A N LEU 550.A O no hydrogen 3.056 N/A