Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5u0c_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 10.A N ASN 7.A O no hydrogen 3.195 N/A ILE 11.A N ASN 7.A O no hydrogen 3.325 N/A GLY 12.A N MET 8.A O no hydrogen 2.823 N/A ARG 13.A NE HIS 182.A ND1 no hydrogen 2.956 N/A ARG 13.A NH2 GLU 16.A OE2 no hydrogen 2.407 N/A ILE 15.A N ILE 11.A O no hydrogen 3.198 N/A GLU 16.A N GLY 12.A O no hydrogen 3.083 N/A ARG 17.A N ARG 13.A O no hydrogen 3.173 N/A ARG 17.A NH2 HIS 182.A O no hydrogen 3.151 N/A ILE 18.A N ARG 14.A O no hydrogen 3.034 N/A ARG 19.A N ILE 15.A O no hydrogen 2.870 N/A ASN 20.A N GLU 16.A O no hydrogen 2.902 N/A GLU 21.A N ARG 17.A O no hydrogen 2.925 N/A HIS 22.A N ARG 19.A O no hydrogen 3.068 N/A GLU 24.A N GLU 24.A OE2 no hydrogen 2.483 N/A THR 25.A N HIS 22.A O no hydrogen 2.979 N/A THR 25.A OG1 HIS 22.A O no hydrogen 3.492 N/A PHE 27.A N SER 42.A O no hydrogen 2.904 N/A ASP 29.A N TYR 39.A OH no hydrogen 2.868 N/A ASN 31.A N ASP 29.A OD1 no hydrogen 2.649 N/A TYR 34.A N HIS 32.A ND1 no hydrogen 3.257 N/A TYR 34.A OH ASP 326.A OD2 no hydrogen 2.683 N/A ARG 35.A N ASP 94.A OD2 no hydrogen 2.822 N/A THR 36.A N ASP 94.A OD1 no hydrogen 2.692 N/A THR 36.A OG1 ASP 94.A OD1 no hydrogen 2.386 N/A THR 36.A OG1 THR 95.A O no hydrogen 3.161 N/A TRP 37.A NE1 VAL 93.A O no hydrogen 3.232 N/A ALA 38.A N SER 329.A O no hydrogen 3.083 N/A TYR 39.A OH SER 42.A OG no hydrogen 2.568 N/A HIS 40.A N ILE 327.A O no hydrogen 2.879 N/A SER 42.A N PHE 27.A O no hydrogen 2.874 N/A SER 42.A OG TYR 39.A OH no hydrogen 2.568 N/A SER 42.A OG ASP 326.A OD1 no hydrogen 2.426 N/A TYR 43.A N MET 325.A O no hydrogen 3.028 N/A ALA 45.A N THR 323.A O no hydrogen 3.348 N/A SER 50.A N THR 80.A OG1 no hydrogen 2.745 N/A SER 52.A OG SER 53.A O no hydrogen 3.551 N/A SER 52.A OG ALA 76.A O no hydrogen 3.492 N/A SER 53.A N ALA 76.A O no hydrogen 3.030 N/A SER 53.A OG THR 78.A OG1 no hydrogen 3.105 N/A ASN 56.A N ARG 474.A O no hydrogen 2.683 N/A ASN 56.A ND2 THR 486.A O no hydrogen 3.290 N/A VAL 58.A N ASN 56.A OD1 no hydrogen 3.210 N/A ARG 60.A N ASN 56.A O no hydrogen 2.978 N/A LEU 61.A N GLY 57.A O no hydrogen 3.137 N/A LEU 62.A N VAL 58.A O no hydrogen 3.392 N/A SER 63.A N ARG 60.A O no hydrogen 3.155 N/A SER 63.A OG VAL 59.A O no hydrogen 2.578 N/A SER 63.A OG ARG 60.A O no hydrogen 3.467 N/A TRP 66.A N SER 63.A O no hydrogen 3.302 N/A ASP 67.A N LYS 64.A O no hydrogen 3.037 N/A VAL 69.A N TRP 66.A O no hydrogen 3.357 N/A VAL 72.A N VAL 69.A O no hydrogen 3.223 N/A THR 73.A N VAL 69.A O no hydrogen 3.251 N/A THR 73.A OG1 VAL 69.A O no hydrogen 3.325 N/A THR 73.A OG1 THR 70.A O no hydrogen 3.521 N/A GLY 74.A N THR 70.A O no hydrogen 3.052 N/A MET 77.A N GLY 74.A O no hydrogen 3.277 N/A THR 78.A OG1 SER 53.A OG no hydrogen 3.105 N/A ASP 79.A N ARG 192.A O no hydrogen 2.909 N/A THR 80.A N SER 50.A O no hydrogen 2.932 N/A THR 80.A OG1 SER 50.A O no hydrogen 3.075 N/A THR 81.A N ASP 79.A OD1 no hydrogen 3.094 N/A THR 81.A OG1 ASP 79.A OD1 no hydrogen 2.769 N/A THR 81.A OG1 ASP 79.A OD2 no hydrogen 3.532 N/A GLY 84.A N THR 81.A OG1 no hydrogen 3.321 N/A GLN 85.A N THR 81.A O no hydrogen 2.949 N/A GLN 85.A NE2 THR 80.A O no hydrogen 2.828 N/A GLN 86.A N PRO 82.A O no hydrogen 3.148 N/A GLN 86.A NE2 TYR 34.A OH no hydrogen 3.274 N/A ARG 87.A N TYR 83.A O no hydrogen 3.112 N/A VAL 88.A N GLY 84.A O no hydrogen 3.362 N/A VAL 88.A N GLN 85.A O no hydrogen 2.926 N/A PHE 89.A N GLN 85.A O no hydrogen 2.910 N/A LYS 90.A N GLN 86.A O no hydrogen 3.226 N/A GLU 91.A N VAL 88.A O no hydrogen 3.126 N/A LYS 92.A N VAL 88.A O no hydrogen 2.810 N/A VAL 93.A N PHE 89.A O no hydrogen 3.087 N/A ASP 94.A N PHE 89.A O no hydrogen 2.652 N/A ARG 96.A NH1 GLU 4.A OE2 no hydrogen 3.565 N/A GLN 101.A N ASP 418.A OD2 no hydrogen 2.888 N/A GLU 102.A N GLU 102.A OE1 no hydrogen 2.644 N/A THR 104.A OG1 LEU 369.A O no hydrogen 3.329 N/A THR 104.A OG1 ASP 418.A OD2 no hydrogen 2.419 N/A ARG 105.A N GLN 101.A O no hydrogen 3.075 N/A ARG 105.A NE PRO 100.A O no hydrogen 3.007 N/A GLN 106.A N GLU 102.A O no hydrogen 3.216 N/A GLN 106.A N GLY 103.A O no hydrogen 3.315 N/A VAL 107.A N GLY 103.A O no hydrogen 3.476 N/A MET 108.A N THR 104.A O no hydrogen 3.280 N/A ASN 109.A N ARG 105.A O no hydrogen 3.106 N/A ILE 110.A N GLN 106.A O no hydrogen 2.869 N/A VAL 111.A N VAL 107.A O no hydrogen 2.847 N/A SER 112.A N MET 108.A O no hydrogen 2.958 N/A SER 112.A OG MET 108.A O no hydrogen 2.663 N/A SER 113.A N ASN 109.A O no hydrogen 3.333 N/A SER 113.A OG ASN 109.A O no hydrogen 2.782 N/A SER 113.A OG ILE 110.A O no hydrogen 3.118 N/A TRP 114.A N ILE 110.A O no hydrogen 3.070 N/A LEU 115.A N VAL 111.A O no hydrogen 2.958 N/A TRP 116.A N SER 112.A O no hydrogen 3.076 N/A TRP 116.A NE1 ASN 283.A O no hydrogen 3.114 N/A GLU 118.A N TRP 114.A O no hydrogen 3.135 N/A LEU 119.A N LEU 115.A O no hydrogen 2.670 N/A GLY 120.A N LYS 117.A O no hydrogen 3.272 N/A ARG 122.A NH1 ASN 236.A O no hydrogen 3.441 N/A CYS 128.A N GLU 221.A O no hydrogen 3.179 N/A THR 129.A N GLU 132.A OE1 no hydrogen 2.850 N/A GLU 132.A N THR 129.A OG1 no hydrogen 3.204 N/A PHE 133.A N LYS 130.A O no hydrogen 3.034 N/A ILE 134.A N LYS 130.A O no hydrogen 3.084 N/A ASN 135.A N GLU 131.A O no hydrogen 3.098 N/A LYS 136.A N GLU 132.A O no hydrogen 3.299 N/A LYS 136.A NZ GLU 228.A OE2 no hydrogen 2.474 N/A VAL 137.A N PHE 133.A O no hydrogen 3.177 N/A ILE 146.A N GLU 150.A OE1 no hydrogen 3.132 N/A PHE 147.A N GLU 150.A OE1 no hydrogen 3.207 N/A GLU 148.A N GLU 21.A OE1 no hydrogen 3.093 N/A TRP 153.A NE1 ASP 162.A OD2 no hydrogen 2.948 N/A LYS 154.A N GLU 158.A OE2 no hydrogen 2.565 N/A THR 155.A N GLU 158.A OE2 no hydrogen 3.164 N/A VAL 157.A N SER 139.A O no hydrogen 3.215 N/A GLU 158.A N THR 155.A OG1 no hydrogen 3.096 N/A ALA 159.A N ALA 156.A O no hydrogen 3.280 N/A ASP 162.A N ALA 159.A O no hydrogen 3.070 N/A ARG 164.A N ASP 162.A OD1 no hydrogen 3.406 N/A PHE 165.A N ASP 162.A O no hydrogen 3.173 N/A TRP 166.A NE1 VAL 160.A O no hydrogen 2.775 N/A ALA 167.A N ARG 164.A O no hydrogen 3.083 N/A LEU 168.A N ARG 164.A O no hydrogen 3.213 N/A VAL 169.A N PHE 165.A O no hydrogen 3.248 N/A ARG 171.A N ALA 167.A O no hydrogen 3.242 N/A GLU 172.A N LEU 168.A O no hydrogen 3.162 N/A ARG 173.A N VAL 169.A O no hydrogen 2.931 N/A GLU 174.A N ASP 170.A O no hydrogen 3.016 N/A HIS 175.A N ARG 171.A O no hydrogen 2.695 N/A HIS 176.A N GLU 172.A O no hydrogen 2.714 N/A LEU 177.A N ARG 173.A O no hydrogen 2.876 N/A ARG 178.A N GLU 174.A O no hydrogen 3.233 N/A ARG 178.A NH2 HIS 175.A ND1 no hydrogen 2.922 N/A ARG 178.A NH2 GLU 180.A OE1 no hydrogen 3.502 N/A GLY 179.A N HIS 175.A O no hydrogen 3.217 N/A GLY 179.A N HIS 176.A O no hydrogen 3.048 N/A GLU 180.A N HIS 175.A O no hydrogen 2.961 N/A CYS 181.A SG GLU 172.A OE2 no hydrogen 3.474 N/A CYS 181.A SG HIS 176.A NE2 no hydrogen 3.596 N/A HIS 182.A N GLU 172.A OE2 no hydrogen 3.070 N/A HIS 182.A NE2 GLU 180.A OE1 no hydrogen 2.991 N/A SER 183.A N GLU 172.A OE2 no hydrogen 3.012 N/A CYS 184.A SG GLU 172.A OE2 no hydrogen 3.342 N/A CYS 184.A SG HIS 176.A NE2 no hydrogen 3.662 N/A TYR 186.A N VAL 311.A O no hydrogen 2.868 N/A TYR 186.A OH THR 306.A O no hydrogen 2.656 N/A ASN 187.A N TYR 210.A O no hydrogen 2.780 N/A ASN 187.A ND2 GLY 144.A O no hydrogen 3.243 N/A ASN 187.A ND2 TYR 210.A O no hydrogen 3.273 N/A MET 188.A N LYS 313.A O no hydrogen 3.050 N/A MET 189.A N ILE 208.A O no hydrogen 2.859 N/A LYS 191.A N ARG 206.A O no hydrogen 3.072 N/A ARG 192.A N ASP 79.A O no hydrogen 2.869 N/A GLU 193.A N SER 205.A OG no hydrogen 3.236 N/A GLN 196.A NE2 LYS 201.A O no hydrogen 3.434 N/A LYS 201.A N GLU 468.A OE2 no hydrogen 2.722 N/A LYS 203.A N LYS 201.A O no hydrogen 3.062 N/A ARG 206.A N LYS 191.A O no hydrogen 3.165 N/A ILE 208.A N MET 189.A O no hydrogen 2.782 N/A TRP 209.A N SER 336.A OG no hydrogen 3.021 N/A TYR 210.A N ASN 187.A O no hydrogen 3.064 N/A LEU 213.A N LEU 143.A O no hydrogen 3.146 N/A ARG 216.A N TRP 212.A O no hydrogen 2.945 N/A ARG 216.A NE MET 211.A O no hydrogen 3.083 N/A ARG 216.A NH2 ALA 142.A O no hydrogen 2.543 N/A PHE 217.A N LEU 213.A O no hydrogen 3.120 N/A PHE 217.A N GLY 214.A O no hydrogen 3.261 N/A LEU 218.A N GLY 214.A O no hydrogen 3.364 N/A GLU 219.A N ALA 215.A O no hydrogen 2.971 N/A PHE 220.A N ARG 216.A O no hydrogen 2.698 N/A GLU 221.A N PHE 217.A O no hydrogen 2.366 N/A ALA 222.A N LEU 218.A O no hydrogen 3.315 N/A LEU 223.A N GLU 219.A O no hydrogen 3.210 N/A LEU 226.A N LEU 223.A O no hydrogen 3.221 N/A ASN 227.A N GLY 224.A O no hydrogen 3.127 N/A GLU 228.A N GLY 224.A O no hydrogen 3.088 N/A ASP 229.A N PHE 225.A O no hydrogen 3.046 N/A HIS 230.A N ASN 227.A O no hydrogen 3.434 N/A HIS 230.A ND1 GLU 242.A OE1 no hydrogen 2.941 N/A TRP 231.A N LEU 226.A O no hydrogen 3.181 N/A GLY 233.A N HIS 230.A O no hydrogen 3.202 N/A ARG 234.A NH1 GLU 255.A OE2 no hydrogen 3.555 N/A ARG 234.A NH1 MET 393.A O no hydrogen 3.056 N/A ARG 234.A NH2 GLY 240.A O no hydrogen 2.779 N/A ARG 234.A NH2 MET 393.A O no hydrogen 3.284 N/A ASN 236.A N GLY 233.A O no hydrogen 3.206 N/A SER 237.A N GLY 233.A O no hydrogen 2.805 N/A SER 237.A OG GLY 233.A O no hydrogen 2.412 N/A GLY 238.A N ARG 234.A O no hydrogen 2.945 N/A GLY 240.A N SER 237.A OG no hydrogen 3.056 N/A GLU 242.A N MET 232.A O no hydrogen 3.232 N/A LEU 244.A N VAL 241.A O no hydrogen 3.365 N/A LEU 246.A N HIS 533.A O no hydrogen 3.029 N/A GLN 247.A N GLN 247.A OE1 no hydrogen 2.733 N/A GLN 247.A NE2 GLU 537.A OE1 no hydrogen 2.636 N/A ARG 248.A N GLY 245.A O no hydrogen 2.904 N/A ARG 248.A NH1 GLN 247.A O no hydrogen 3.152 N/A ARG 248.A NH1 VAL 551.A O no hydrogen 2.874 N/A ARG 248.A NH2 VAL 551.A O no hydrogen 2.976 N/A ARG 248.A NH2 GLU 555.A O no hydrogen 2.967 N/A LEU 249.A N GLY 245.A O no hydrogen 3.246 N/A TYR 251.A N ARG 248.A O no hydrogen 3.316 N/A GLU 254.A N GLY 250.A O no hydrogen 3.070 N/A GLU 255.A N TYR 251.A O no hydrogen 2.608 N/A MET 256.A N ILE 252.A O no hydrogen 2.810 N/A ASN 257.A N LEU 253.A O no hydrogen 3.253 N/A ALA 259.A N MET 256.A O no hydrogen 3.158 N/A GLY 262.A N PRO 404.A O no hydrogen 3.201 N/A LYS 263.A N ASP 407.A OD1 no hydrogen 2.965 N/A LYS 263.A NZ SER 436.A OG no hydrogen 2.583 N/A MET 264.A N TRP 435.A O no hydrogen 3.142 N/A TYR 265.A N VAL 402.A O no hydrogen 2.976 N/A ALA 270.A N VAL 422.A O no hydrogen 3.341 N/A TRP 272.A NE1 ASN 345.A OD1 no hydrogen 2.417 N/A THR 274.A OG1 GLY 271.A O no hydrogen 2.749 N/A ARG 275.A N GLY 271.A O no hydrogen 3.037 N/A SER 277.A OG ASP 280.A OD2 no hydrogen 3.506 N/A LEU 281.A N SER 277.A O no hydrogen 3.191 N/A ASN 283.A N PHE 279.A O no hydrogen 2.986 N/A GLU 284.A N ASP 280.A O no hydrogen 2.725 N/A ALA 285.A N LEU 281.A O no hydrogen 3.207 N/A LEU 286.A N ASN 283.A O no hydrogen 3.208 N/A ILE 287.A N GLU 284.A O no hydrogen 3.520 N/A THR 288.A N ALA 285.A O no hydrogen 2.982 N/A ASN 289.A N LEU 286.A O no hydrogen 3.226 N/A GLN 290.A N ILE 287.A O no hydrogen 3.215 N/A GLN 290.A NE2 TRP 116.A O no hydrogen 2.957 N/A GLU 293.A N GLU 293.A OE1 no hydrogen 2.639 N/A HIS 295.A NE2 ALA 222.A O no hydrogen 2.425 N/A ARG 296.A N GLU 292.A O no hydrogen 2.682 N/A ARG 296.A NE THR 288.A O no hydrogen 3.189 N/A THR 297.A OG1 GLU 293.A O no hydrogen 3.211 N/A ALA 299.A N HIS 295.A O no hydrogen 2.919 N/A LEU 300.A N ARG 296.A O no hydrogen 3.127 N/A ALA 301.A N THR 297.A O no hydrogen 3.114 N/A VAL 302.A N LEU 298.A O no hydrogen 3.222 N/A ILE 303.A N ALA 299.A O no hydrogen 2.775 N/A LYS 304.A N LEU 300.A O no hydrogen 2.645 N/A LYS 304.A NZ GLN 308.A OE1 no hydrogen 3.323 N/A TYR 305.A N ALA 301.A O no hydrogen 3.298 N/A THR 306.A N VAL 302.A O no hydrogen 2.903 N/A TYR 307.A N VAL 302.A O no hydrogen 3.157 N/A TYR 307.A N ILE 303.A O no hydrogen 3.181 N/A TYR 307.A OH GLU 219.A OE2 no hydrogen 2.663 N/A GLN 308.A N ILE 303.A O no hydrogen 2.658 N/A ASN 309.A ND2 LYS 304.A O no hydrogen 3.384 N/A LYS 310.A N ARG 330.A O no hydrogen 3.010 N/A LYS 310.A NZ TYR 307.A O no hydrogen 3.356 N/A LYS 310.A NZ ARG 330.A O no hydrogen 3.486 N/A LYS 310.A NZ ASP 332.A O no hydrogen 2.306 N/A LYS 310.A NZ GLN 333.A O no hydrogen 3.419 N/A VAL 312.A N ILE 328.A O no hydrogen 2.954 N/A LYS 313.A N TYR 186.A O no hydrogen 2.884 N/A LYS 313.A NZ TYR 43.A OH no hydrogen 3.169 N/A VAL 314.A N ASP 326.A O no hydrogen 2.922 N/A ARG 316.A NE ASP 326.A OD1 no hydrogen 3.439 N/A ARG 316.A NE ASP 326.A OD2 no hydrogen 2.533 N/A ARG 316.A NH2 ASP 29.A OD2 no hydrogen 2.656 N/A ARG 316.A NH2 ASP 326.A OD1 no hydrogen 3.551 N/A ALA 318.A N LYS 322.A O no hydrogen 2.925 N/A LYS 322.A NZ GLU 44.A OE1 no hydrogen 3.552 N/A THR 323.A OG1 ALA 45.A O no hydrogen 2.758 N/A VAL 324.A N ARG 316.A O no hydrogen 2.991 N/A MET 325.A N TYR 43.A O no hydrogen 2.735 N/A ASP 326.A N VAL 314.A O no hydrogen 2.479 N/A ILE 327.A N GLY 41.A O no hydrogen 2.946 N/A ILE 328.A N VAL 312.A O no hydrogen 3.106 N/A SER 329.A N ALA 38.A O no hydrogen 2.879 N/A ARG 330.A N LYS 310.A O no hydrogen 3.212 N/A ARG 330.A NE ASP 332.A OD1 no hydrogen 2.480 N/A ARG 330.A NH1 THR 36.A OG1 no hydrogen 3.083 N/A ARG 330.A NH1 THR 95.A O no hydrogen 2.912 N/A ARG 330.A NH2 THR 95.A O no hydrogen 2.773 N/A ARG 330.A NH2 ASP 332.A OD1 no hydrogen 3.102 N/A ARG 330.A NH2 ASP 332.A OD2 no hydrogen 3.433 N/A GLN 331.A N GLU 4.A OE2 no hydrogen 2.909 N/A GLN 333.A N ILE 276.A O no hydrogen 3.128 N/A GLN 333.A NE2 VAL 93.A O no hydrogen 3.047 N/A ARG 334.A N ASP 273.A O no hydrogen 3.003 N/A ARG 334.A NH1 GLU 284.A OE2 no hydrogen 2.346 N/A ARG 334.A NH2 GLU 284.A OE1 no hydrogen 2.359 N/A GLY 335.A N GLN 338.A OE1 no hydrogen 3.067 N/A SER 336.A OG ALA 207.A O no hydrogen 3.535 N/A SER 336.A OG TRP 209.A O no hydrogen 3.481 N/A GLY 337.A N TRP 209.A O no hydrogen 2.742 N/A GLN 338.A N GLY 335.A O no hydrogen 3.483 N/A VAL 339.A N GLU 219.A OE2 no hydrogen 2.482 N/A THR 341.A N GLN 338.A O no hydrogen 3.084 N/A THR 341.A OG1 GLY 335.A O no hydrogen 2.822 N/A THR 341.A OG1 SER 336.A O no hydrogen 3.280 N/A THR 341.A OG1 GLN 338.A O no hydrogen 3.045 N/A TYR 342.A OH SER 396.A OG no hydrogen 2.688 N/A LEU 344.A N VAL 340.A O no hydrogen 2.920 N/A ASN 345.A N THR 341.A O no hydrogen 3.046 N/A ASN 345.A ND2 THR 341.A O no hydrogen 2.345 N/A THR 346.A N TYR 342.A O no hydrogen 2.935 N/A THR 346.A OG1 TYR 342.A O no hydrogen 2.675 N/A PHE 347.A N ALA 343.A O no hydrogen 3.022 N/A THR 348.A N LEU 344.A O no hydrogen 3.180 N/A THR 348.A OG1 GLU 284.A OE2 no hydrogen 2.567 N/A THR 348.A OG1 LEU 344.A O no hydrogen 3.168 N/A ASN 349.A N ASN 345.A O no hydrogen 2.850 N/A ASN 349.A ND2 GLY 397.A O no hydrogen 3.243 N/A LEU 350.A N THR 346.A O no hydrogen 2.981 N/A VAL 351.A N PHE 347.A O no hydrogen 3.005 N/A VAL 352.A N THR 348.A O no hydrogen 2.859 N/A GLN 353.A N ASN 349.A O no hydrogen 2.959 N/A GLN 353.A NE2 ASN 349.A OD1 no hydrogen 3.442 N/A LEU 354.A N LEU 350.A O no hydrogen 2.934 N/A ILE 355.A N VAL 351.A O no hydrogen 3.027 N/A ARG 356.A N VAL 352.A O no hydrogen 3.000 N/A ARG 356.A NE PHE 409.A O no hydrogen 3.266 N/A ARG 356.A NE ALA 412.A O no hydrogen 3.194 N/A ARG 356.A NH1 ASP 267.A OD2 no hydrogen 3.050 N/A ARG 356.A NH2 ASP 267.A OD2 no hydrogen 3.286 N/A ARG 356.A NH2 PHE 409.A O no hydrogen 3.176 N/A ARG 356.A NH2 SER 432.A OG no hydrogen 2.734 N/A ASN 357.A N GLN 353.A O no hydrogen 3.202 N/A GLU 359.A N ILE 355.A O no hydrogen 3.106 N/A ALA 360.A N ARG 356.A O no hydrogen 3.189 N/A GLU 361.A N ASN 357.A O no hydrogen 2.972 N/A VAL 363.A N MET 358.A O no hydrogen 3.057 N/A GLU 365.A N ASP 368.A OD2 no hydrogen 2.693 N/A LEU 369.A N MET 366.A O no hydrogen 3.092 N/A LEU 371.A N GLN 367.A O no hydrogen 3.198 N/A ARG 373.A N ASP 368.A OD1 no hydrogen 2.898 N/A LYS 377.A N LYS 374.A O no hydrogen 3.131 N/A LYS 377.A NZ VAL 363.A O no hydrogen 3.368 N/A LYS 377.A NZ ASP 368.A OD1 no hydrogen 3.267 N/A LYS 377.A NZ ASP 368.A OD2 no hydrogen 3.111 N/A TRP 381.A N LYS 377.A O no hydrogen 3.288 N/A TRP 381.A NE1 GLU 361.A OE1 no hydrogen 2.736 N/A LEU 382.A N VAL 378.A O no hydrogen 3.304 N/A SER 384.A OG ARG 380.A O no hydrogen 3.148 N/A GLY 386.A N LEU 382.A O no hydrogen 2.814 N/A ARG 389.A N ASN 385.A O no hydrogen 3.023 N/A ARG 389.A NH1 GLU 361.A OE1 no hydrogen 2.861 N/A LEU 390.A N GLY 386.A O no hydrogen 3.105 N/A LYS 391.A N TRP 387.A O no hydrogen 3.289 N/A MET 393.A N LEU 390.A O no hydrogen 2.954 N/A ALA 394.A N VAL 401.A O no hydrogen 2.895 N/A VAL 395.A N GLY 239.A O no hydrogen 2.985 N/A SER 396.A N ASP 399.A O no hydrogen 2.814 N/A SER 396.A OG TYR 342.A OH no hydrogen 2.688 N/A SER 396.A OG HIS 533.A NE2 no hydrogen 2.644 N/A GLY 397.A N THR 346.A OG1 no hydrogen 3.060 N/A ASP 398.A N ASP 398.A OD1 no hydrogen 2.475 N/A ASP 399.A N SER 396.A O no hydrogen 3.123 N/A CYS 400.A SG ASP 267.A O no hydrogen 3.632 N/A VAL 401.A N ALA 394.A O no hydrogen 2.929 N/A VAL 402.A N TYR 265.A O no hydrogen 2.953 N/A LYS 403.A N ARG 392.A O no hydrogen 2.935 N/A ARG 408.A N ASP 406.A OD1 no hydrogen 2.970 N/A ARG 408.A NE ASP 406.A OD1 no hydrogen 2.903 N/A ARG 408.A NE ASP 406.A OD2 no hydrogen 3.289 N/A ARG 408.A NH2 ASP 406.A OD2 no hydrogen 2.883 N/A ALA 410.A N ASP 407.A O no hydrogen 3.499 N/A HIS 411.A N ARG 408.A O no hydrogen 3.211 N/A PHE 415.A N GLU 359.A OE1 no hydrogen 3.116 N/A PHE 415.A N GLU 359.A OE2 no hydrogen 3.106 N/A ASN 417.A N LEU 413.A O no hydrogen 2.761 N/A ASN 417.A ND2 LEU 413.A O no hydrogen 2.838 N/A ASN 417.A ND2 GLU 428.A O no hydrogen 3.669 N/A ASP 418.A N ARG 414.A O no hydrogen 3.057 N/A MET 419.A N PHE 415.A O no hydrogen 3.123 N/A GLY 420.A N ASN 417.A O no hydrogen 3.076 N/A LYS 421.A N LEU 416.A O no hydrogen 3.237 N/A LYS 421.A NZ ASP 280.A OD2 no hydrogen 2.961 N/A VAL 422.A N GLY 420.A O no hydrogen 2.867 N/A ARG 423.A NH1 LYS 430.A O no hydrogen 2.697 N/A ARG 423.A NH1 SER 432.A OG no hydrogen 2.839 N/A ARG 423.A NH2 GLU 428.A O no hydrogen 3.334 N/A ARG 423.A NH2 LYS 430.A O no hydrogen 2.852 N/A LYS 424.A N ASP 268.A O no hydrogen 2.920 N/A LYS 424.A NZ ASP 268.A OD2 no hydrogen 3.292 N/A THR 426.A OG1 GLN 427.A O no hydrogen 3.523 N/A LYS 430.A N GLN 427.A O no hydrogen 3.354 N/A LYS 430.A NZ THR 426.A OG1 no hydrogen 3.289 N/A SER 432.A N ALA 410.A O no hydrogen 2.991 N/A SER 432.A OG ASP 267.A OD2 no hydrogen 2.580 N/A TRP 435.A N MET 264.A O no hydrogen 3.064 N/A GLU 439.A N ASN 437.A OD1 no hydrogen 3.240 N/A GLU 440.A N ASN 437.A O no hydrogen 3.129 N/A VAL 441.A N TRP 438.A O no hydrogen 3.052 N/A PHE 443.A N HIS 446.A O no hydrogen 2.672 N/A CYS 444.A SG HIS 533.A NE2 no hydrogen 3.468 N/A HIS 446.A N PHE 443.A O no hydrogen 3.117 N/A HIS 446.A ND1 CYS 444.A O no hydrogen 2.799 N/A HIS 446.A NE2 TYR 501.A OH no hydrogen 2.645 N/A HIS 447.A N CYS 463.A O no hydrogen 2.883 N/A ASN 449.A N VAL 461.A O no hydrogen 3.059 N/A LYS 450.A N GLU 439.A OE2 no hydrogen 2.711 N/A LYS 450.A NZ GLU 254.A OE1 no hydrogen 2.763 N/A LEU 451.A N ILE 459.A O no hydrogen 2.792 N/A LEU 453.A N ARG 457.A O no hydrogen 2.681 N/A GLY 456.A N LEU 453.A O no hydrogen 3.465 N/A ARG 457.A NE ASP 455.A OD1 no hydrogen 3.071 N/A ARG 457.A NH1 ASP 561.A O no hydrogen 2.695 N/A ARG 457.A NH1 THR 563.A O no hydrogen 3.114 N/A ARG 457.A NH2 THR 563.A O no hydrogen 3.148 N/A ILE 459.A N LEU 451.A O no hydrogen 3.047 N/A VAL 460.A N TYR 251.A OH no hydrogen 3.314 N/A VAL 461.A N ASN 449.A O no hydrogen 2.891 N/A CYS 463.A N HIS 447.A O no hydrogen 2.779 N/A CYS 463.A SG HIS 447.A NE2 no hydrogen 3.253 N/A CYS 463.A SG ARG 464.A O no hydrogen 3.642 N/A ARG 464.A NE GLU 468.A OE1 no hydrogen 3.087 N/A ARG 464.A NH2 GLU 468.A OE1 no hydrogen 2.659 N/A GLN 466.A N CYS 582.A O no hydrogen 2.657 N/A GLN 466.A NE2 ASP 506.A OD2 no hydrogen 2.908 N/A ASP 467.A N HIS 465.A ND1 no hydrogen 3.111 N/A GLU 468.A N HIS 465.A O no hydrogen 3.278 N/A LEU 469.A N GLN 466.A O no hydrogen 3.164 N/A ILE 470.A N GLN 466.A O no hydrogen 3.151 N/A GLY 471.A N ASP 467.A O no hydrogen 2.901 N/A ARG 472.A N GLU 468.A O no hydrogen 3.238 N/A ARG 472.A NH1 TYR 493.A OH no hydrogen 3.298 N/A ALA 473.A N LEU 469.A O no hydrogen 3.269 N/A ARG 474.A N ILE 470.A O no hydrogen 3.046 N/A ARG 474.A NH1 ASP 67.A OD1 no hydrogen 3.181 N/A ARG 474.A NH2 SER 63.A OG no hydrogen 3.035 N/A ARG 474.A NH2 ASP 67.A OD1 no hydrogen 2.842 N/A VAL 475.A N ARG 472.A O no hydrogen 3.207 N/A SER 476.A N LEU 54.A O no hydrogen 2.821 N/A SER 482.A N GLU 485.A OE2 no hydrogen 2.940 N/A GLU 485.A N SER 482.A OG no hydrogen 2.901 N/A THR 486.A N SER 482.A O no hydrogen 2.942 N/A THR 486.A OG1 SER 482.A O no hydrogen 3.151 N/A THR 486.A OG1 ILE 483.A O no hydrogen 2.968 N/A ALA 487.A N ILE 483.A O no hydrogen 3.019 N/A CYS 488.A N ARG 484.A O no hydrogen 2.958 N/A CYS 488.A SG ARG 484.A O no hydrogen 3.260 N/A CYS 488.A SG VAL 523.A O no hydrogen 3.476 N/A LEU 489.A N GLU 485.A O no hydrogen 3.139 N/A ALA 490.A N THR 486.A O no hydrogen 2.996 N/A LYS 491.A N ALA 487.A O no hydrogen 2.918 N/A LYS 491.A NZ PRO 519.A O no hydrogen 3.397 N/A LYS 491.A NZ VAL 520.A O no hydrogen 3.145 N/A LYS 491.A NZ TRP 522.A O no hydrogen 2.769 N/A SER 492.A N CYS 488.A O no hydrogen 3.127 N/A SER 492.A OG CYS 488.A O no hydrogen 3.078 N/A SER 492.A OG THR 525.A O no hydrogen 2.710 N/A TYR 493.A N LEU 489.A O no hydrogen 3.201 N/A ALA 494.A N ALA 490.A O no hydrogen 3.017 N/A GLN 495.A N LYS 491.A O no hydrogen 2.933 N/A MET 496.A N SER 492.A O no hydrogen 2.926 N/A TRP 497.A N TYR 493.A O no hydrogen 3.084 N/A GLN 498.A N ALA 494.A O no hydrogen 3.087 N/A GLN 498.A NE2 ASN 512.A OD1 no hydrogen 3.118 N/A LEU 499.A N MET 496.A O no hydrogen 3.023 N/A LEU 500.A N MET 496.A O no hydrogen 2.977 N/A TYR 501.A N TRP 497.A O no hydrogen 2.958 N/A TYR 501.A OH HIS 446.A NE2 no hydrogen 2.645 N/A HIS 503.A NE2 PRO 462.A O no hydrogen 2.735 N/A HIS 503.A NE2 LEU 500.A O no hydrogen 3.011 N/A ARG 504.A N TYR 501.A O no hydrogen 3.210 N/A ARG 504.A NE ASP 579.A OD1 no hydrogen 2.663 N/A ARG 504.A NH1 ARG 464.A O no hydrogen 2.836 N/A ARG 504.A NH2 ASP 579.A O no hydrogen 3.303 N/A ARG 504.A NH2 ASP 579.A OD1 no hydrogen 3.047 N/A ARG 504.A NH2 CYS 582.A O no hydrogen 2.833 N/A ARG 505.A N ASP 579.A OD2 no hydrogen 3.051 N/A ARG 505.A NH1 LEU 574.A O no hydrogen 3.033 N/A ARG 505.A NH2 LEU 574.A O no hydrogen 2.980 N/A ARG 505.A NH2 ASP 579.A OD2 no hydrogen 3.146 N/A ARG 508.A N ARG 504.A O no hydrogen 3.059 N/A ARG 508.A NE PHE 502.A O no hydrogen 3.131 N/A ARG 508.A NH1 PHE 502.A O no hydrogen 3.313 N/A ARG 508.A NH1 ILE 571.A O no hydrogen 2.934 N/A ARG 508.A NH2 ILE 571.A O no hydrogen 3.176 N/A LEU 509.A N ARG 505.A O no hydrogen 3.250 N/A MET 510.A N ASP 506.A O no hydrogen 2.961 N/A ALA 511.A N LEU 507.A O no hydrogen 2.843 N/A ASN 512.A N ARG 508.A O no hydrogen 3.008 N/A ASN 512.A ND2 GLN 622.A OE1 no hydrogen 3.219 N/A ALA 513.A N LEU 509.A O no hydrogen 2.992 N/A ILE 514.A N MET 510.A O no hydrogen 2.995 N/A CYS 515.A N ALA 511.A O no hydrogen 2.890 N/A CYS 515.A SG ALA 511.A O no hydrogen 3.445 N/A SER 516.A N ASN 512.A O no hydrogen 3.051 N/A SER 516.A OG ASN 512.A O no hydrogen 2.659 N/A SER 516.A OG MET 616.A O no hydrogen 3.533 N/A ALA 517.A N ILE 514.A O no hydrogen 3.097 N/A VAL 518.A N ILE 514.A O no hydrogen 2.981 N/A VAL 520.A N LYS 614.A O no hydrogen 3.180 N/A TRP 522.A N PRO 519.A O no hydrogen 3.328 N/A SER 531.A N THR 529.A OG1 no hydrogen 3.115 N/A HIS 533.A N SER 531.A OG no hydrogen 3.427 N/A HIS 533.A ND1 LEU 244.A O no hydrogen 2.766 N/A HIS 533.A NE2 SER 396.A OG no hydrogen 2.644 N/A GLY 534.A N SER 531.A O no hydrogen 3.271 N/A LYS 535.A NZ GLY 243.A O no hydrogen 2.583 N/A GLU 537.A N GLU 537.A OE2 no hydrogen 2.562 N/A TRP 538.A NE1 THR 528.A OG1 no hydrogen 2.865 N/A MET 539.A N GLY 536.A O no hydrogen 3.317 N/A GLU 542.A N THR 540.A OG1 no hydrogen 2.798 N/A LEU 545.A N ASP 543.A OD1 no hydrogen 3.288 N/A MET 546.A N ASP 543.A O no hydrogen 2.735 N/A VAL 547.A N ASP 543.A O no hydrogen 3.249 N/A TRP 548.A N MET 544.A O no hydrogen 2.995 N/A ASN 549.A N LEU 545.A O no hydrogen 3.421 N/A ASN 549.A ND2 LEU 545.A O no hydrogen 2.638 N/A ASN 549.A ND2 VAL 565.A O no hydrogen 3.174 N/A ARG 550.A N MET 546.A O no hydrogen 3.262 N/A ARG 550.A N VAL 547.A O no hydrogen 3.247 N/A ARG 550.A NH2 GLU 542.A OE2 no hydrogen 2.504 N/A VAL 551.A N VAL 547.A O no hydrogen 3.223 N/A TRP 552.A N TRP 548.A O no hydrogen 3.157 N/A TRP 552.A NE1 LEU 499.A O no hydrogen 2.907 N/A ILE 553.A N ASN 549.A O no hydrogen 2.913 N/A GLU 554.A N ASN 549.A O no hydrogen 2.684 N/A GLU 555.A N ARG 550.A O no hydrogen 2.896 N/A ASN 556.A N ILE 553.A O no hydrogen 3.445 N/A ASN 556.A ND2 TYR 251.A OH no hydrogen 3.217 N/A ASN 556.A ND2 TRP 552.A O no hydrogen 3.097 N/A HIS 558.A N ASN 556.A OD1 no hydrogen 2.885 N/A MET 559.A N ASN 556.A O no hydrogen 3.099 N/A LYS 562.A NZ GLU 554.A O no hydrogen 2.433 N/A LYS 562.A NZ ASN 556.A O no hydrogen 3.464 N/A THR 563.A N ASP 561.A OD1 no hydrogen 3.296 N/A THR 563.A OG1 ASP 561.A OD1 no hydrogen 2.487 N/A VAL 565.A N ASN 549.A OD1 no hydrogen 2.676 N/A ASP 570.A N LYS 567.A O no hydrogen 3.451 N/A ILE 571.A N TRP 568.A O no hydrogen 3.282 N/A LEU 574.A N HIS 503.A O no hydrogen 2.963 N/A GLU 578.A N GLU 578.A OE1 no hydrogen 2.659 N/A ASP 579.A N GLY 575.A O no hydrogen 2.740 N/A LEU 580.A N LYS 576.A O no hydrogen 2.880 N/A TRP 581.A N ARG 577.A O no hydrogen 2.864 N/A CYS 582.A N GLU 578.A O no hydrogen 3.141 N/A CYS 582.A SG HIS 447.A NE2 no hydrogen 3.237 N/A CYS 582.A SG GLU 578.A O no hydrogen 3.831 N/A GLY 583.A N LEU 580.A O no hydrogen 3.121 N/A SER 584.A N ASP 579.A O no hydrogen 3.044 N/A SER 584.A OG ASP 506.A OD2 no hydrogen 2.991 N/A LEU 585.A N ASP 506.A OD2 no hydrogen 2.803 N/A HIS 588.A N LEU 585.A O no hydrogen 3.244 N/A ARG 591.A NE ASP 506.A OD1 no hydrogen 2.623 N/A ARG 591.A NH1 ASP 506.A OD1 no hydrogen 2.973 N/A THR 592.A N HIS 588.A O no hydrogen 2.968 N/A THR 592.A OG1 HIS 588.A O no hydrogen 2.955 N/A THR 593.A N ARG 589.A O no hydrogen 3.131 N/A THR 593.A OG1 ARG 589.A O no hydrogen 3.437 N/A TRP 594.A N PRO 590.A O no hydrogen 2.990 N/A TRP 594.A NE1 LEU 62.A O no hydrogen 3.108 N/A ALA 595.A N ARG 591.A O no hydrogen 2.896 N/A GLU 596.A N THR 592.A O no hydrogen 3.038 N/A ASN 597.A N THR 593.A O no hydrogen 3.055 N/A THR 601.A N ASN 597.A O no hydrogen 3.137 N/A THR 601.A OG1 ASN 597.A O no hydrogen 3.002 N/A VAL 602.A N ILE 598.A O no hydrogen 2.848 N/A ASN 603.A N LYS 599.A O no hydrogen 2.955 N/A MET 604.A N ASP 600.A O no hydrogen 3.181 N/A VAL 605.A N THR 601.A O no hydrogen 3.189 N/A ARG 606.A N VAL 602.A O no hydrogen 2.990 N/A ARG 606.A NE SER 516.A O no hydrogen 2.740 N/A ARG 606.A NH1 ASN 603.A OD1 no hydrogen 3.492 N/A ARG 606.A NH2 SER 516.A O no hydrogen 2.921 N/A ARG 607.A N ASN 603.A O no hydrogen 3.344 N/A ARG 607.A N MET 604.A O no hydrogen 3.126 N/A ARG 607.A NE ASP 611.A OD1 no hydrogen 3.368 N/A ARG 607.A NE ASP 611.A OD2 no hydrogen 3.428 N/A ARG 607.A NH1 ASP 611.A OD2 no hydrogen 3.104 N/A ILE 608.A N MET 604.A O no hydrogen 3.354 N/A ILE 609.A N VAL 605.A O no hydrogen 3.159 N/A GLY 610.A N ARG 606.A O no hydrogen 2.860 N/A GLU 613.A N GLY 610.A O no hydrogen 3.417 N/A TYR 615.A OH GLY 610.A O no hydrogen 2.988 N/A TYR 618.A N SER 516.A OG no hydrogen 2.803 N/A SER 620.A N ASP 617.A OD1 no hydrogen 2.825 N/A THR 621.A OG1 TYR 618.A O no hydrogen 2.709 N/A