Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ldj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 4.A N LEU 1.A O no hydrogen 2.444 N/A ASP 6.A N ASP 2.A O no hydrogen 3.261 N/A ASP 6.A N GLN 3.A O no hydrogen 3.418 N/A ASP 7.A N ILE 4.A O no hydrogen 3.060 N/A LEU 8.A N ILE 4.A O no hydrogen 2.705 N/A ARG 9.A N TRP 5.A O no hydrogen 3.329 N/A GLY 11.A N ASP 7.A O no hydrogen 3.123 N/A ILE 12.A N LEU 8.A O no hydrogen 2.869 N/A GLN 13.A N ARG 9.A O no hydrogen 2.691 N/A GLN 14.A N GLY 11.A O no hydrogen 2.428 N/A VAL 15.A N GLY 11.A O no hydrogen 2.576 N/A ARG 18.A NH2 ASP 81.A O no hydrogen 3.406 N/A ARG 18.A NH2 ASP 81.A OD1 no hydrogen 3.378 N/A ARG 25.A N ALA 22.A O no hydrogen 2.711 N/A ARG 25.A NE GLU 28.A OE1 no hydrogen 3.253 N/A ARG 25.A NE GLU 28.A OE2 no hydrogen 3.330 N/A ARG 25.A NH2 GLU 28.A OE1 no hydrogen 2.590 N/A MET 27.A N LYS 23.A O no hydrogen 3.082 N/A GLU 28.A N SER 24.A O no hydrogen 3.265 N/A LEU 29.A N ARG 25.A O no hydrogen 2.842 N/A TYR 30.A N TYR 26.A O no hydrogen 2.616 N/A THR 31.A N MET 27.A O no hydrogen 3.174 N/A THR 31.A OG1 MET 27.A O no hydrogen 2.753 N/A THR 31.A OG1 GLU 28.A O no hydrogen 3.260 N/A HIS 32.A N GLU 28.A O no hydrogen 2.513 N/A VAL 33.A N LEU 29.A O no hydrogen 3.040 N/A VAL 33.A N TYR 30.A O no hydrogen 2.882 N/A TYR 34.A N TYR 30.A O no hydrogen 2.851 N/A ASN 35.A N THR 31.A O no hydrogen 3.045 N/A TYR 36.A N HIS 32.A O no hydrogen 3.351 N/A TYR 36.A OH GLU 43.A OE1 no hydrogen 3.412 N/A CYS 37.A N VAL 33.A O no hydrogen 3.058 N/A CYS 37.A SG VAL 33.A O no hydrogen 3.352 N/A THR 38.A N ASN 35.A O no hydrogen 2.526 N/A THR 38.A OG1 ASN 35.A O no hydrogen 3.227 N/A SER 39.A OG THR 38.A O no hydrogen 2.948 N/A LEU 44.A N GLY 41.A O no hydrogen 2.754 N/A TYR 45.A N LEU 42.A O no hydrogen 2.975 N/A LYS 46.A N LEU 42.A O no hydrogen 3.478 N/A ARG 47.A N GLU 43.A O no hydrogen 2.724 N/A ARG 47.A N LEU 44.A O no hydrogen 2.896 N/A ARG 47.A NE TYR 36.A OH no hydrogen 3.316 N/A LEU 48.A N LEU 44.A O no hydrogen 2.807 N/A LYS 49.A N TYR 45.A O no hydrogen 2.684 N/A GLU 50.A N LYS 46.A O no hydrogen 3.346 N/A PHE 51.A N ARG 47.A O no hydrogen 2.761 N/A LEU 52.A N LEU 48.A O no hydrogen 2.825 N/A LYS 53.A N LYS 49.A O no hydrogen 2.644 N/A ASN 54.A N GLU 50.A O no hydrogen 2.857 N/A ASN 54.A N PHE 51.A O no hydrogen 3.224 N/A TYR 55.A N PHE 51.A O no hydrogen 2.879 N/A LEU 56.A N LEU 52.A O no hydrogen 3.207 N/A THR 57.A OG1 LYS 53.A O no hydrogen 2.482 N/A THR 57.A OG1 ASN 54.A O no hydrogen 3.525 N/A ASN 58.A N ASN 54.A O no hydrogen 3.050 N/A LEU 59.A N TYR 55.A O no hydrogen 2.711 N/A LEU 60.A N LEU 56.A O no hydrogen 2.623 N/A LYS 61.A N THR 57.A O no hydrogen 3.257 N/A ASP 62.A N LEU 59.A O no hydrogen 2.871 N/A VAL 71.A N MET 67.A O no hydrogen 3.403 N/A PHE 74.A N SER 70.A O no hydrogen 2.873 N/A TYR 75.A N LEU 72.A O no hydrogen 2.840 N/A TYR 75.A OH SER 156.A OG no hydrogen 2.619 N/A THR 76.A N LEU 72.A O no hydrogen 3.379 N/A THR 76.A OG1 LEU 72.A O no hydrogen 2.821 N/A GLN 78.A N PHE 74.A O no hydrogen 2.851 N/A TRP 79.A N TYR 75.A O no hydrogen 2.931 N/A GLU 80.A N THR 76.A O no hydrogen 2.883 N/A ASP 81.A N GLN 77.A O no hydrogen 2.867 N/A ASP 81.A N GLN 78.A O no hydrogen 3.011 N/A TYR 82.A N GLN 78.A O no hydrogen 2.961 N/A TYR 82.A OH ALA 112.A O no hydrogen 2.265 N/A ARG 83.A N TRP 79.A O no hydrogen 2.840 N/A ARG 83.A NH1 GLU 159.A OE1 no hydrogen 2.946 N/A PHE 84.A N GLU 80.A O no hydrogen 3.352 N/A SER 85.A N ASP 81.A O no hydrogen 3.375 N/A SER 85.A OG VAL 15.A O no hydrogen 3.458 N/A SER 85.A OG ASP 81.A O no hydrogen 2.714 N/A SER 86.A N TYR 82.A O no hydrogen 2.749 N/A SER 86.A OG TYR 82.A O no hydrogen 3.056 N/A LYS 87.A N ARG 83.A O no hydrogen 2.704 N/A VAL 88.A N PHE 84.A O no hydrogen 2.726 N/A LEU 89.A N SER 85.A O no hydrogen 2.671 N/A ASN 90.A N SER 86.A O no hydrogen 2.986 N/A GLY 91.A N LYS 87.A O no hydrogen 3.116 N/A ILE 92.A N VAL 88.A O no hydrogen 3.078 N/A CYS 93.A N LEU 89.A O no hydrogen 2.897 N/A CYS 93.A SG LEU 89.A O no hydrogen 3.221 N/A ASN 97.A N CYS 93.A O no hydrogen 3.145 N/A ASN 97.A ND2 GLU 107.A OE1 no hydrogen 3.565 N/A ARG 98.A N ALA 94.A O no hydrogen 3.209 N/A ARG 98.A N TYR 95.A O no hydrogen 3.046 N/A HIS 99.A N TYR 95.A O no hydrogen 3.358 N/A CYS 105.A SG ARG 102.A O no hydrogen 3.953 N/A SER 110.A OG GLU 107.A O no hydrogen 2.631 N/A LEU 111.A N GLU 107.A O no hydrogen 3.384 N/A ALA 112.A N ILE 108.A O no hydrogen 2.623 N/A LEU 113.A N TYR 109.A O no hydrogen 3.004 N/A VAL 114.A N SER 110.A O no hydrogen 2.918 N/A THR 115.A N LEU 111.A O no hydrogen 2.824 N/A THR 115.A OG1 LEU 111.A O no hydrogen 2.524 N/A TRP 116.A N LEU 113.A O no hydrogen 2.528 N/A TRP 116.A NE1 TYR 75.A OH no hydrogen 3.046 N/A ARG 117.A N LEU 113.A O no hydrogen 2.877 N/A ARG 117.A NE ASP 118.A OD2 no hydrogen 2.311 N/A ARG 117.A NH2 ASP 118.A OD1 no hydrogen 2.702 N/A ARG 117.A NH2 ASP 118.A OD2 no hydrogen 2.775 N/A LEU 120.A N TRP 116.A O no hydrogen 3.075 N/A PHE 121.A N ARG 117.A O no hydrogen 3.015 N/A LEU 124.A N CYS 119.A O no hydrogen 2.914 N/A ASN 125.A N PRO 123.A O no hydrogen 3.087 N/A LYS 126.A N PRO 123.A O no hydrogen 3.451 N/A THR 129.A OG1 ASN 125.A O no hydrogen 3.436 N/A THR 129.A OG1 TYR 157.A OH no hydrogen 2.699 N/A THR 129.A OG1 SER 180.A O no hydrogen 3.052 N/A ASN 130.A N LYS 126.A O no hydrogen 3.351 N/A ALA 131.A N GLN 127.A O no hydrogen 2.780 N/A VAL 132.A N VAL 128.A O no hydrogen 2.989 N/A LEU 133.A N THR 129.A O no hydrogen 3.011 N/A LYS 134.A N ASN 130.A O no hydrogen 3.267 N/A LEU 135.A N ALA 131.A O no hydrogen 3.117 N/A ILE 136.A N VAL 132.A O no hydrogen 2.660 N/A GLU 137.A N LEU 133.A O no hydrogen 2.679 N/A LYS 138.A N LEU 135.A O no hydrogen 2.715 N/A THR 144.A OG1 GLY 142.A O no hydrogen 3.433 N/A LEU 149.A N ASN 146.A O no hydrogen 2.892 N/A ILE 150.A N THR 147.A O no hydrogen 2.617 N/A SER 151.A N THR 147.A O no hydrogen 2.865 N/A SER 151.A OG THR 147.A O no hydrogen 3.340 N/A SER 151.A OG VAL 226.A O no hydrogen 3.318 N/A GLY 152.A N ARG 148.A O no hydrogen 3.518 N/A VAL 154.A N ILE 150.A O no hydrogen 2.726 N/A GLN 155.A N SER 151.A O no hydrogen 2.743 N/A SER 156.A N GLY 152.A O no hydrogen 2.929 N/A SER 156.A OG TYR 75.A OH no hydrogen 2.619 N/A TYR 157.A N VAL 153.A O no hydrogen 3.280 N/A TYR 157.A N VAL 154.A O no hydrogen 2.801 N/A TYR 157.A OH THR 129.A OG1 no hydrogen 2.699 N/A VAL 158.A N VAL 154.A O no hydrogen 3.013 N/A GLU 159.A N GLN 155.A O no hydrogen 2.852 N/A LEU 160.A N SER 156.A O no hydrogen 2.685 N/A GLY 161.A N VAL 158.A O no hydrogen 2.769 N/A ASN 163.A N GLY 161.A O no hydrogen 3.105 N/A ASN 163.A ND2 GLU 159.A O no hydrogen 3.298 N/A THR 173.A OG1 VAL 158.A O no hydrogen 2.818 N/A THR 175.A N THR 173.A O no hydrogen 2.498 N/A THR 175.A OG1 THR 173.A O no hydrogen 3.111 N/A LYS 178.A NZ GLU 182.A OE1 no hydrogen 3.388 N/A LYS 178.A NZ GLU 182.A OE2 no hydrogen 2.888 N/A GLU 179.A N THR 175.A O no hydrogen 3.149 N/A SER 180.A N VAL 176.A O no hydrogen 2.627 N/A SER 180.A OG VAL 176.A O no hydrogen 2.864 N/A PHE 181.A N TYR 177.A O no hydrogen 2.681 N/A PHE 181.A N LYS 178.A O no hydrogen 3.168 N/A GLU 182.A N TYR 177.A O no hydrogen 2.726 N/A SER 183.A N LYS 178.A O no hydrogen 2.613 N/A GLN 184.A NE2 GLU 179.A O no hydrogen 3.273 N/A PHE 185.A N GLU 182.A O no hydrogen 2.961 N/A LEU 186.A N GLU 182.A O no hydrogen 2.887 N/A ALA 187.A N SER 183.A O no hydrogen 3.304 N/A THR 189.A N PHE 185.A O no hydrogen 2.876 N/A THR 189.A OG1 PHE 185.A O no hydrogen 2.880 N/A GLU 190.A N LEU 186.A O no hydrogen 2.870 N/A TYR 193.A OH GLU 220.A OE2 no hydrogen 2.535 N/A THR 194.A N GLU 190.A O no hydrogen 2.676 N/A THR 194.A OG1 GLU 190.A O no hydrogen 2.738 N/A ARG 195.A N ARG 191.A O no hydrogen 2.765 N/A ARG 195.A N PHE 192.A O no hydrogen 3.093 N/A GLU 196.A N PHE 192.A O no hydrogen 2.916 N/A SER 197.A N TYR 193.A O no hydrogen 2.334 N/A SER 197.A OG TYR 193.A O no hydrogen 3.127 N/A SER 197.A OG THR 194.A O no hydrogen 3.101 N/A SER 197.A OG HIS 248.A NE2 no hydrogen 3.115 N/A THR 198.A OG1 THR 194.A O no hydrogen 3.117 N/A THR 198.A OG1 ARG 195.A O no hydrogen 3.117 N/A PHE 200.A N GLU 196.A O no hydrogen 2.659 N/A LEU 201.A N SER 197.A O no hydrogen 2.244 N/A GLN 202.A N GLU 199.A O no hydrogen 3.310 N/A GLN 203.A N GLU 199.A O no hydrogen 3.023 N/A ASN 204.A N PHE 200.A O no hydrogen 2.484 N/A THR 207.A OG1 VAL 206.A O no hydrogen 2.371 N/A THR 207.A OG1 ASP 267.A OD2 no hydrogen 3.122 N/A TYR 209.A OH LEU 244.A O no hydrogen 3.404 N/A LYS 212.A N TYR 209.A O no hydrogen 2.816 N/A ALA 213.A N TYR 209.A O no hydrogen 2.662 N/A GLU 214.A N MET 210.A O no hydrogen 2.614 N/A ARG 216.A N LYS 212.A O no hydrogen 2.929 N/A ARG 216.A NE GLU 196.A OE1 no hydrogen 3.417 N/A ARG 216.A NH1 GLU 139.A O no hydrogen 3.250 N/A ARG 216.A NH2 GLU 139.A O no hydrogen 3.158 N/A LEU 217.A N ALA 213.A O no hydrogen 3.416 N/A LEU 218.A N GLU 214.A O no hydrogen 3.323 N/A GLU 219.A N ALA 215.A O no hydrogen 2.793 N/A GLU 220.A N ARG 216.A O no hydrogen 2.765 N/A GLN 221.A N LEU 217.A O no hydrogen 3.077 N/A ARG 222.A N LEU 218.A O no hydrogen 2.804 N/A ARG 223.A N GLU 219.A O no hydrogen 2.729 N/A VAL 224.A N GLN 221.A O no hydrogen 3.341 N/A GLN 225.A N ARG 222.A O no hydrogen 2.807 N/A GLN 225.A NE2 GLN 221.A O no hydrogen 3.322 N/A THR 232.A OG1 GLU 182.A OE1 no hydrogen 1.993 N/A THR 232.A OG1 SER 231.A O no hydrogen 3.316 N/A GLN 233.A NE2 VAL 224.A O no hydrogen 3.154 N/A ALA 237.A N GLN 233.A O no hydrogen 2.422 N/A ARG 238.A N ASP 234.A O no hydrogen 2.318 N/A LYS 239.A N GLU 235.A O no hydrogen 3.245 N/A LYS 239.A NZ GLU 190.A OE1 no hydrogen 3.121 N/A CYS 240.A N LEU 236.A O no hydrogen 2.953 N/A CYS 240.A SG LEU 236.A O no hydrogen 3.182 N/A GLU 241.A N ALA 237.A O no hydrogen 2.696 N/A GLN 242.A N ARG 238.A O no hydrogen 3.371 N/A VAL 243.A N LYS 239.A O no hydrogen 3.104 N/A LEU 244.A N CYS 240.A O no hydrogen 2.834 N/A ILE 251.A N HIS 248.A O no hydrogen 2.981 N/A HIS 253.A N LEU 249.A O no hydrogen 3.008 N/A THR 254.A OG1 GLU 250.A O no hydrogen 3.411 N/A PHE 256.A N PHE 252.A O no hydrogen 2.664 N/A GLN 257.A N HIS 253.A O no hydrogen 3.119 N/A GLN 257.A NE2 ASP 261.A OD1 no hydrogen 2.890 N/A GLN 257.A NE2 ASP 261.A OD2 no hydrogen 3.264 N/A GLN 257.A NE2 HIS 292.A ND1 no hydrogen 3.692 N/A LEU 259.A N GLU 255.A O no hydrogen 2.932 N/A LEU 260.A N GLN 257.A O no hydrogen 2.741 N/A ASP 261.A N GLN 257.A O no hydrogen 3.047 N/A ALA 262.A N ASN 258.A O no hydrogen 2.929 N/A ASN 265.A N ASP 263.A O no hydrogen 2.600 N/A ARG 270.A N GLU 266.A O no hydrogen 3.220 N/A MET 271.A N ASP 267.A O no hydrogen 3.136 N/A TYR 272.A N LEU 268.A O no hydrogen 2.671 N/A ASN 273.A N GLY 269.A O no hydrogen 2.677 N/A LEU 274.A N ARG 270.A O no hydrogen 3.021 N/A VAL 275.A N MET 271.A O no hydrogen 3.240 N/A SER 276.A N TYR 272.A O no hydrogen 2.376 N/A SER 276.A OG TYR 272.A O no hydrogen 2.262 N/A ARG 277.A N ASN 273.A O no hydrogen 3.101 N/A ARG 277.A N LEU 274.A O no hydrogen 3.004 N/A ARG 277.A NH1 GLU 241.A OE2 no hydrogen 2.512 N/A GLY 281.A N ILE 278.A O no hydrogen 3.059 N/A LYS 286.A N LEU 282.A O no hydrogen 2.697 N/A LYS 287.A N GLU 284.A O no hydrogen 2.545 N/A LEU 288.A N GLU 284.A O no hydrogen 2.694 N/A LEU 289.A N LEU 285.A O no hydrogen 2.756 N/A THR 291.A N LYS 287.A O no hydrogen 2.943 N/A THR 291.A OG1 LYS 287.A O no hydrogen 3.273 N/A THR 291.A OG1 GLU 290.A OE1 no hydrogen 3.110 N/A HIS 292.A N LEU 288.A O no hydrogen 2.698 N/A HIS 292.A NE2 TYR 326.A OH no hydrogen 2.513 N/A ILE 293.A N LEU 289.A O no hydrogen 3.063 N/A ASN 295.A N HIS 292.A O no hydrogen 2.779 N/A GLN 296.A N HIS 292.A O no hydrogen 3.337 N/A GLN 296.A NE2 TYR 326.A OH no hydrogen 2.630 N/A GLY 297.A N ILE 293.A O no hydrogen 2.893 N/A LEU 298.A N HIS 294.A O no hydrogen 2.884 N/A ALA 299.A N ASN 295.A O no hydrogen 2.655 N/A ALA 299.A N GLN 296.A O no hydrogen 3.116 N/A ALA 300.A N GLY 297.A O no hydrogen 2.474 N/A ILE 301.A N GLY 297.A O no hydrogen 3.160 N/A LYS 303.A N ALA 299.A O no hydrogen 2.995 N/A CYS 304.A SG ALA 300.A O no hydrogen 3.829 N/A CYS 304.A SG THR 318.A OG1 no hydrogen 3.053 N/A GLY 305.A N ILE 301.A O no hydrogen 3.181 N/A ASN 310.A N ALA 307.A O no hydrogen 2.527 N/A ASP 311.A N ALA 308.A O no hydrogen 2.735 N/A LYS 313.A NZ TYR 374.A OH no hydrogen 3.401 N/A MET 314.A N ASP 311.A OD1 no hydrogen 2.850 N/A TYR 315.A N ASP 311.A O no hydrogen 2.857 N/A VAL 316.A N PRO 312.A O no hydrogen 2.834 N/A GLN 317.A N LYS 313.A O no hydrogen 2.734 N/A THR 318.A N MET 314.A O no hydrogen 2.602 N/A VAL 319.A N TYR 315.A O no hydrogen 3.166 N/A LEU 320.A N VAL 316.A O no hydrogen 2.813 N/A ASP 321.A N THR 318.A O no hydrogen 3.352 N/A VAL 322.A N THR 318.A O no hydrogen 3.334 N/A HIS 323.A N VAL 319.A O no hydrogen 3.047 N/A LYS 324.A N LEU 320.A O no hydrogen 3.277 N/A LYS 324.A NZ ASN 327.A OD1 no hydrogen 2.679 N/A LYS 325.A N ASP 321.A O no hydrogen 2.766 N/A TYR 326.A N VAL 322.A O no hydrogen 3.247 N/A TYR 326.A OH HIS 292.A NE2 no hydrogen 2.513 N/A ASN 327.A N HIS 323.A O no hydrogen 2.801 N/A ALA 328.A N LYS 324.A O no hydrogen 3.468 N/A LEU 329.A N TYR 326.A O no hydrogen 3.183 N/A VAL 330.A N TYR 326.A O no hydrogen 3.038 N/A MET 331.A N ASN 327.A O no hydrogen 2.870 N/A SER 332.A N ALA 328.A O no hydrogen 2.892 N/A PHE 334.A N LEU 329.A O no hydrogen 3.125 N/A ASN 335.A N SER 332.A O no hydrogen 3.005 N/A ASN 336.A N VAL 330.A O no hydrogen 2.617 N/A ASP 337.A N PHE 334.A O no hydrogen 3.027 N/A PHE 340.A N ASP 337.A O no hydrogen 2.633 N/A PHE 340.A N ASP 337.A OD2 no hydrogen 3.195 N/A VAL 341.A N ASP 337.A O no hydrogen 2.821 N/A ALA 342.A N ALA 338.A O no hydrogen 2.895 N/A ALA 343.A N GLY 339.A O no hydrogen 3.234 N/A LEU 344.A N PHE 340.A O no hydrogen 3.194 N/A ASP 345.A N VAL 341.A O no hydrogen 2.883 N/A LYS 346.A N ALA 342.A O no hydrogen 2.603 N/A LYS 346.A NZ LYS 346.A O no hydrogen 2.753 N/A ALA 347.A N ALA 343.A O no hydrogen 2.916 N/A CYS 348.A N LEU 344.A O no hydrogen 2.723 N/A CYS 348.A SG HIS 323.A ND1 no hydrogen 3.256 N/A GLY 349.A N ASP 345.A O no hydrogen 2.898 N/A ARG 350.A N LYS 346.A O no hydrogen 2.936 N/A PHE 351.A N ALA 347.A O no hydrogen 2.905 N/A ILE 352.A N CYS 348.A O no hydrogen 2.932 N/A ASN 353.A ND2 GLY 349.A O no hydrogen 2.546 N/A ASN 353.A ND2 TYR 404.A O no hydrogen 2.699 N/A ASN 355.A N THR 358.A OG1 no hydrogen 3.205 N/A THR 358.A OG1 ASN 355.A O no hydrogen 3.262 N/A LYS 359.A N ASN 355.A O no hydrogen 2.973 N/A LYS 359.A NZ ALA 356.A O no hydrogen 3.180 N/A MET 360.A N ALA 356.A O no hydrogen 3.151 N/A ALA 361.A N VAL 357.A O no hydrogen 3.131 N/A GLN 362.A N LYS 359.A O no hydrogen 2.899 N/A SER 363.A N THR 358.A O no hydrogen 3.121 N/A SER 363.A OG SER 365.A OG no hydrogen 2.380 N/A SER 364.A OG ASN 354.A OD1 no hydrogen 3.324 N/A SER 365.A N SER 363.A OG no hydrogen 2.958 N/A SER 365.A OG SER 363.A OG no hydrogen 2.380 N/A LYS 366.A NZ GLU 369.A OE1 no hydrogen 3.120 N/A LYS 366.A NZ GLU 369.A OE2 no hydrogen 2.959 N/A SER 367.A N SER 364.A O no hydrogen 3.200 N/A SER 367.A OG TYR 315.A OH no hydrogen 2.413 N/A SER 367.A OG ILE 352.A O no hydrogen 2.543 N/A LEU 370.A N LYS 366.A O no hydrogen 2.827 N/A LEU 371.A N SER 367.A O no hydrogen 2.921 N/A ALA 372.A N PRO 368.A O no hydrogen 2.690 N/A ARG 373.A N GLU 369.A O no hydrogen 2.574 N/A ARG 373.A NH2 ASN 310.A OD1 no hydrogen 3.121 N/A TYR 374.A N LEU 370.A O no hydrogen 2.922 N/A CYS 375.A N LEU 371.A O no hydrogen 3.409 N/A CYS 375.A SG LEU 371.A O no hydrogen 3.127 N/A ASP 376.A N ALA 372.A O no hydrogen 3.144 N/A SER 377.A N ARG 373.A O no hydrogen 2.877 N/A LEU 378.A N TYR 374.A O no hydrogen 2.816 N/A LEU 379.A N CYS 375.A O no hydrogen 2.548 N/A LEU 379.A N ASP 376.A O no hydrogen 2.860 N/A LYS 381.A N ASN 427.A O no hydrogen 3.057 N/A LYS 381.A N ASN 427.A OD1 no hydrogen 3.204 N/A LYS 381.A NZ GLN 426.A O no hydrogen 3.360 N/A LEU 391.A N GLU 387.A O no hydrogen 3.091 N/A GLU 392.A N GLU 388.A O no hydrogen 3.072 N/A ASP 393.A N ALA 389.A O no hydrogen 2.660 N/A THR 394.A N GLU 390.A O no hydrogen 2.896 N/A LEU 395.A N LEU 391.A O no hydrogen 2.685 N/A ASN 396.A N ASP 393.A O no hydrogen 2.766 N/A ASN 396.A ND2 GLU 392.A OE1 no hydrogen 3.434 N/A GLN 397.A N THR 394.A O no hydrogen 2.842 N/A VAL 398.A N THR 394.A O no hydrogen 2.725 N/A VAL 400.A N GLN 397.A O no hydrogen 2.737 N/A VAL 401.A N GLN 397.A O no hydrogen 3.317 N/A PHE 402.A N VAL 398.A O no hydrogen 2.923 N/A LYS 403.A N MET 399.A O no hydrogen 3.210 N/A TYR 404.A N VAL 401.A O no hydrogen 2.845 N/A TYR 404.A OH ASP 345.A OD1 no hydrogen 2.343 N/A ILE 405.A N PHE 402.A O no hydrogen 2.819 N/A GLU 406.A N ASN 353.A OD1 no hydrogen 2.541 N/A LYS 408.A N ARG 690.A O no hydrogen 2.830 N/A LYS 408.A NZ ILE 405.A O no hydrogen 2.530 N/A ASP 409.A N ASP 409.A OD1 no hydrogen 2.435 N/A ASP 409.A N ARG 690.A O no hydrogen 3.372 N/A PHE 411.A N ASP 407.A O no hydrogen 3.170 N/A GLN 412.A N LYS 408.A O no hydrogen 2.953 N/A LYS 413.A N ASP 409.A O no hydrogen 2.694 N/A PHE 414.A N VAL 410.A O no hydrogen 3.042 N/A TYR 415.A N PHE 411.A O no hydrogen 2.807 N/A ALA 416.A N LYS 413.A O no hydrogen 3.203 N/A LYS 417.A N LYS 413.A O no hydrogen 3.077 N/A LYS 417.A NZ THR 648.A OG1 no hydrogen 3.138 N/A MET 418.A N PHE 414.A O no hydrogen 2.898 N/A LEU 419.A N TYR 415.A O no hydrogen 3.198 N/A ALA 420.A N ALA 416.A O no hydrogen 2.888 N/A LYS 421.A NZ GLU 644.A OE1 no hydrogen 2.634 N/A ARG 422.A N MET 418.A O no hydrogen 2.951 N/A LEU 423.A N LEU 419.A O no hydrogen 2.714 N/A VAL 424.A N ALA 420.A O no hydrogen 2.807 N/A HIS 425.A N LYS 421.A O no hydrogen 2.990 N/A HIS 425.A N ARG 422.A O no hydrogen 3.257 N/A GLN 426.A N LEU 423.A O no hydrogen 3.067 N/A ASN 427.A N ARG 422.A O no hydrogen 3.061 N/A SER 428.A OG LEU 379.A O no hydrogen 3.446 N/A SER 428.A OG SER 430.A O no hydrogen 3.553 N/A ALA 429.A N LEU 379.A O no hydrogen 2.734 N/A ALA 433.A N SER 430.A O no hydrogen 2.894 N/A GLU 434.A N SER 430.A O no hydrogen 3.463 N/A ALA 435.A N ASP 431.A O no hydrogen 3.128 N/A SER 436.A N ALA 433.A O no hydrogen 2.904 N/A SER 436.A OG GLU 392.A OE1 no hydrogen 3.316 N/A SER 436.A OG GLU 392.A OE2 no hydrogen 2.785 N/A MET 437.A N ALA 433.A O no hydrogen 2.867 N/A ILE 438.A N GLU 434.A O no hydrogen 2.764 N/A SER 439.A N ALA 435.A O no hydrogen 3.381 N/A LYS 440.A N SER 436.A O no hydrogen 2.562 N/A LYS 440.A NZ GLU 392.A OE1 no hydrogen 2.409 N/A LEU 441.A N MET 437.A O no hydrogen 2.799 N/A LYS 442.A N ILE 438.A O no hydrogen 2.822 N/A GLN 443.A N SER 439.A O no hydrogen 2.978 N/A CYS 445.A N LEU 441.A O no hydrogen 2.984 N/A CYS 445.A SG LEU 441.A O no hydrogen 4.004 N/A TYR 449.A N CYS 445.A O no hydrogen 3.422 N/A TYR 449.A N GLY 446.A O no hydrogen 2.935 N/A TYR 449.A OH LYS 408.A O no hydrogen 2.771 N/A THR 450.A OG1 GLY 446.A O no hydrogen 3.305 N/A SER 451.A N GLU 448.A O no hydrogen 3.291 N/A SER 451.A OG GLU 448.A O no hydrogen 3.013 N/A GLN 454.A N THR 450.A O no hydrogen 2.965 N/A ARG 455.A N SER 451.A O no hydrogen 2.681 N/A MET 456.A N LYS 452.A O no hydrogen 3.067 N/A PHE 457.A N LEU 453.A O no hydrogen 3.248 N/A GLN 458.A N GLN 454.A O no hydrogen 2.786 N/A ASP 459.A N ARG 455.A O no hydrogen 2.742 N/A ILE 460.A N PHE 457.A O no hydrogen 2.581 N/A GLY 461.A N PHE 457.A O no hydrogen 3.233 N/A VAL 462.A N GLN 458.A O no hydrogen 3.348 N/A SER 463.A N ASP 459.A O no hydrogen 3.453 N/A SER 463.A OG VAL 488.A O no hydrogen 3.192 N/A LYS 464.A N ILE 460.A O no hydrogen 2.936 N/A ASP 465.A N GLY 461.A O no hydrogen 2.843 N/A LEU 466.A N VAL 462.A O no hydrogen 2.752 N/A ASN 467.A N SER 463.A O no hydrogen 2.682 N/A ASN 467.A ND2 SER 485.A OG no hydrogen 3.321 N/A GLU 468.A N LYS 464.A O no hydrogen 3.053 N/A GLN 469.A N ASP 465.A O no hydrogen 2.993 N/A PHE 470.A N LEU 466.A O no hydrogen 3.006 N/A LYS 471.A N ASN 467.A O no hydrogen 2.628 N/A LYS 472.A N GLU 468.A O no hydrogen 2.509 N/A HIS 473.A N GLN 469.A O no hydrogen 2.924 N/A SER 477.A N ASN 476.A OD1 no hydrogen 2.706 N/A GLU 478.A N ASN 476.A O no hydrogen 2.320 N/A VAL 488.A N SER 463.A OG no hydrogen 2.437 N/A SER 490.A N ASP 459.A OD2 no hydrogen 3.167 N/A SER 490.A OG ASP 459.A OD2 no hydrogen 3.262 N/A SER 490.A OG SER 490.A O no hydrogen 2.452 N/A SER 493.A N SER 490.A O no hydrogen 2.585 N/A SER 493.A N SER 490.A OG no hydrogen 3.031 N/A TRP 494.A NE1 ASP 459.A OD2 no hydrogen 2.761 N/A CYS 500.A SG SER 499.A O no hydrogen 2.540 N/A THR 501.A OG1 CYS 500.A O no hydrogen 2.594 N/A THR 501.A OG1 THR 501.A O no hydrogen 2.337 N/A THR 501.A OG1 GLN 579.A O no hydrogen 2.996 N/A LEU 508.A N PRO 505.A O no hydrogen 2.908 N/A GLU 509.A N SER 506.A O no hydrogen 2.504 N/A ARG 510.A NH1 PRO 479.A O no hydrogen 3.058 N/A TYR 512.A N LEU 508.A O no hydrogen 3.029 N/A TYR 512.A N GLU 509.A O no hydrogen 2.815 N/A GLN 513.A N GLU 509.A O no hydrogen 2.968 N/A ARG 514.A N ARG 510.A O no hydrogen 2.946 N/A PHE 515.A N TYR 512.A O no hydrogen 3.170 N/A THR 516.A N TYR 512.A O no hydrogen 2.712 N/A ALA 517.A N GLN 513.A O no hydrogen 2.606 N/A PHE 518.A N ARG 514.A O no hydrogen 2.624 N/A TYR 519.A N PHE 515.A O no hydrogen 2.616 N/A ALA 520.A N ALA 517.A O no hydrogen 2.774 N/A HIS 523.A ND1 TYR 519.A OH no hydrogen 3.254 N/A ARG 526.A N SER 524.A O no hydrogen 2.874 N/A ARG 526.A NE TYR 519.A O no hydrogen 3.182 N/A ARG 526.A NH1 ARG 526.A O no hydrogen 2.826 N/A GLN 533.A NE2 GLN 498.A O no hydrogen 2.724 N/A LEU 534.A N LEU 531.A O no hydrogen 3.064 N/A SER 535.A OG TYR 532.A O no hydrogen 3.122 N/A SER 535.A OG THR 554.A OG1 no hydrogen 1.635 N/A LEU 539.A N LEU 550.A O no hydrogen 2.771 N/A THR 541.A N TYR 548.A O no hydrogen 3.161 N/A THR 541.A OG1 TYR 548.A O no hydrogen 3.065 N/A ASN 546.A N PHE 544.A O no hydrogen 2.478 N/A TYR 548.A N THR 541.A OG1 no hydrogen 3.104 N/A GLN 551.A N VAL 631.A O no hydrogen 2.680 N/A ALA 552.A N GLY 537.A O no hydrogen 2.993 N/A SER 553.A N GLN 556.A OE1 no hydrogen 3.089 N/A THR 554.A N SER 535.A O no hydrogen 3.242 N/A THR 554.A OG1 SER 535.A O no hydrogen 2.945 N/A THR 554.A OG1 SER 535.A OG no hydrogen 1.635 N/A GLN 556.A N SER 553.A OG no hydrogen 2.830 N/A GLN 556.A NE2 ILE 633.A O no hydrogen 2.699 N/A MET 557.A N SER 553.A O no hydrogen 2.959 N/A ALA 558.A N THR 554.A O no hydrogen 2.838 N/A ILE 559.A N PHE 555.A O no hydrogen 2.977 N/A LEU 560.A N GLN 556.A O no hydrogen 2.657 N/A LEU 561.A N MET 557.A O no hydrogen 2.673 N/A GLN 562.A N ILE 559.A O no hydrogen 3.064 N/A TYR 563.A N LEU 560.A O no hydrogen 2.785 N/A TYR 563.A OH ILE 618.A O no hydrogen 2.674 N/A ASN 564.A N LEU 561.A O no hydrogen 3.172 N/A ASN 564.A ND2 LEU 561.A O no hydrogen 3.599 N/A THR 565.A OG1 GLN 562.A O no hydrogen 3.204 N/A THR 565.A OG1 TYR 569.A OH no hydrogen 2.729 N/A GLU 566.A N GLU 566.A OE2 no hydrogen 2.844 N/A TYR 569.A OH GLN 562.A O no hydrogen 3.104 N/A TYR 569.A OH THR 565.A OG1 no hydrogen 2.729 N/A THR 570.A OG1 PRO 614.A O no hydrogen 2.783 N/A VAL 571.A N THR 616.A O no hydrogen 3.213 N/A GLN 572.A N PRO 614.A O no hydrogen 2.580 N/A GLN 573.A N THR 570.A OG1 no hydrogen 3.418 N/A LEU 574.A N THR 570.A O no hydrogen 3.437 N/A THR 575.A N VAL 571.A O no hydrogen 3.005 N/A THR 575.A OG1 VAL 571.A O no hydrogen 2.535 N/A THR 575.A OG1 GLN 572.A O no hydrogen 3.392 N/A ASP 576.A N GLN 573.A O no hydrogen 3.424 N/A SER 577.A N GLN 573.A O no hydrogen 3.222 N/A SER 577.A OG GLN 573.A O no hydrogen 2.822 N/A SER 577.A OG LEU 574.A O no hydrogen 3.353 N/A THR 578.A N LEU 574.A O no hydrogen 2.859 N/A THR 578.A OG1 LEU 574.A O no hydrogen 2.420 N/A GLN 579.A NE2 ASP 576.A O no hydrogen 3.440 N/A ILE 580.A N THR 578.A OG1 no hydrogen 3.177 N/A ASP 583.A N ASP 583.A OD2 no hydrogen 2.466 N/A ILE 584.A N LYS 581.A O no hydrogen 2.559 N/A LEU 585.A N LYS 581.A O no hydrogen 2.644 N/A ALA 586.A N MET 582.A O no hydrogen 2.908 N/A GLN 587.A NE2 GLN 643.A OE1 no hydrogen 3.606 N/A VAL 588.A N ILE 584.A O no hydrogen 3.163 N/A LEU 589.A N LEU 585.A O no hydrogen 2.539 N/A GLN 590.A N ALA 586.A O no hydrogen 2.601 N/A ILE 591.A N GLN 587.A O no hydrogen 3.245 N/A LEU 592.A N VAL 588.A O no hydrogen 2.789 N/A LEU 593.A N LEU 589.A O no hydrogen 2.820 N/A LYS 594.A N GLN 590.A O no hydrogen 2.830 N/A LYS 594.A NZ ASP 608.A OD1 no hydrogen 3.097 N/A SER 595.A N ILE 591.A O no hydrogen 3.021 N/A SER 595.A OG ILE 591.A O no hydrogen 3.037 N/A SER 595.A OG LEU 592.A O no hydrogen 2.346 N/A VAL 599.A N LYS 619.A O no hydrogen 2.736 N/A ASP 602.A N GLU 601.A OE2 no hydrogen 2.805 N/A ASN 604.A N ASP 602.A OD1 no hydrogen 3.433 N/A ALA 605.A N ASP 602.A O no hydrogen 3.055 N/A VAL 607.A N ALA 605.A O no hydrogen 2.928 N/A ASP 608.A N ASN 606.A OD1 no hydrogen 3.221 N/A GLU 609.A N ASN 606.A O no hydrogen 2.443 N/A VAL 610.A N ASN 606.A O no hydrogen 3.160 N/A LYS 613.A N THR 616.A OG1 no hydrogen 3.259 N/A THR 616.A N LYS 613.A O no hydrogen 2.421 N/A THR 616.A OG1 LYS 613.A O no hydrogen 2.673 N/A LEU 620.A N ASP 567.A O no hydrogen 3.322 N/A TYR 621.A N LEU 597.A O no hydrogen 2.825 N/A ASN 626.A N TYR 548.A OH no hydrogen 3.229 N/A ASN 626.A ND2 TYR 624.A OH no hydrogen 2.600 N/A LYS 627.A NZ LYS 625.A O no hydrogen 3.427 N/A ASN 632.A ND2 GLN 551.A O no hydrogen 2.904 N/A LYS 638.A NZ LYS 638.A O no hydrogen 2.502 N/A THR 639.A OG1 GLN 643.A OE1 no hydrogen 2.762 N/A GLN 643.A N THR 639.A O no hydrogen 2.906 N/A GLU 644.A N GLU 640.A O no hydrogen 2.542 N/A GLN 645.A N GLN 641.A O no hydrogen 2.968 N/A GLU 646.A N LYS 642.A O no hydrogen 2.731 N/A THR 647.A N GLN 643.A O no hydrogen 2.625 N/A THR 648.A N GLU 644.A O no hydrogen 2.606 N/A HIS 649.A N GLN 645.A O no hydrogen 2.865 N/A HIS 649.A NE2 GLU 369.A OE2 no hydrogen 2.989 N/A LYS 650.A N GLU 646.A O no hydrogen 2.979 N/A LYS 650.A NZ GLU 653.A OE2 no hydrogen 3.456 N/A ASN 651.A N THR 647.A O no hydrogen 2.944 N/A ILE 652.A N HIS 649.A O no hydrogen 2.802 N/A GLU 653.A N HIS 649.A O no hydrogen 3.027 N/A GLU 654.A N LYS 650.A O no hydrogen 3.170 N/A ARG 656.A N ILE 652.A O no hydrogen 2.935 N/A ARG 656.A NH1 ASP 407.A OD2 no hydrogen 3.074 N/A ARG 656.A NH1 ASP 409.A OD1 no hydrogen 3.356 N/A ARG 656.A NH1 ASP 409.A OD2 no hydrogen 2.782 N/A LYS 657.A NZ GLU 654.A OE1 no hydrogen 2.621 N/A LEU 658.A N GLU 654.A O no hydrogen 3.504 N/A LEU 659.A N ASP 655.A O no hydrogen 3.411 N/A ILE 660.A N ARG 656.A O no hydrogen 2.734 N/A GLN 661.A N LYS 657.A O no hydrogen 2.769 N/A ALA 662.A N LEU 658.A O no hydrogen 2.691 N/A ALA 663.A N LEU 659.A O no hydrogen 2.667 N/A ILE 664.A N ILE 660.A O no hydrogen 2.805 N/A VAL 665.A N GLN 661.A O no hydrogen 2.940 N/A ARG 666.A N ALA 662.A O no hydrogen 2.968 N/A ILE 667.A N ALA 663.A O no hydrogen 2.669 N/A MET 668.A N ILE 664.A O no hydrogen 2.598 N/A LYS 669.A N VAL 665.A O no hydrogen 2.815 N/A LYS 669.A N ARG 666.A O no hydrogen 3.287 N/A MET 670.A N ARG 666.A O no hydrogen 3.245 N/A ARG 671.A N ILE 667.A O no hydrogen 2.731 N/A LEU 674.A N TYR 721.A O no hydrogen 2.808 N/A HIS 676.A N ASP 719.A O no hydrogen 2.731 N/A HIS 676.A ND1 TYR 721.A OH no hydrogen 2.482 N/A LEU 679.A N LYS 675.A O no hydrogen 2.914 N/A LEU 680.A N HIS 676.A O no hydrogen 2.851 N/A GLY 681.A N GLN 677.A O no hydrogen 2.719 N/A GLU 682.A N GLN 678.A O no hydrogen 2.893 N/A VAL 683.A N LEU 679.A O no hydrogen 3.077 N/A LEU 684.A N LEU 680.A O no hydrogen 3.257 N/A THR 685.A N GLY 681.A O no hydrogen 2.907 N/A THR 685.A OG1 GLY 681.A O no hydrogen 3.212 N/A GLN 686.A N GLU 682.A O no hydrogen 2.803 N/A LEU 687.A N VAL 683.A O no hydrogen 2.966 N/A LEU 687.A N LEU 684.A O no hydrogen 2.518 N/A SER 688.A N LEU 684.A O no hydrogen 2.837 N/A SER 688.A OG THR 685.A O no hydrogen 3.372 N/A ARG 690.A N LEU 687.A O no hydrogen 2.708 N/A PHE 691.A N LEU 687.A O no hydrogen 3.000 N/A VAL 697.A N ARG 694.A O no hydrogen 2.507 N/A ILE 698.A N ARG 694.A O no hydrogen 3.450 N/A LYS 699.A N VAL 695.A O no hydrogen 2.791 N/A LYS 699.A NZ TYR 721.A OH no hydrogen 3.514 N/A LYS 700.A N PRO 696.A O no hydrogen 3.277 N/A CYS 701.A N VAL 697.A O no hydrogen 2.988 N/A CYS 701.A SG LYS 657.A O no hydrogen 3.164 N/A CYS 701.A SG VAL 697.A O no hydrogen 3.795 N/A ILE 702.A N ILE 698.A O no hydrogen 2.752 N/A ASP 703.A N LYS 699.A O no hydrogen 3.426 N/A ILE 704.A N LYS 700.A O no hydrogen 3.035 N/A LEU 705.A N CYS 701.A O no hydrogen 2.691 N/A ILE 706.A N ASP 703.A O no hydrogen 2.656 N/A GLU 707.A N ASP 703.A O no hydrogen 2.726 N/A LYS 708.A N ILE 704.A O no hydrogen 2.932 N/A LYS 708.A NZ GLN 661.A OE1 no hydrogen 2.934 N/A GLU 709.A N ILE 706.A O no hydrogen 2.810 N/A TYR 710.A N LEU 705.A O no hydrogen 2.766 N/A LEU 711.A N LEU 705.A O no hydrogen 3.395 N/A GLU 712.A N SER 722.A O no hydrogen 3.018 N/A VAL 714.A N THR 720.A O no hydrogen 2.951 N/A TYR 721.A N LEU 674.A O no hydrogen 3.011 N/A TYR 721.A OH HIS 676.A ND1 no hydrogen 2.482 N/A SER 722.A N GLU 712.A O no hydrogen 2.532 N/A