Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1jxa_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 1.A N ASN 98.A OD1 no hydrogen 3.089 N/A ILE 3.A N SER 191.A OG no hydrogen 2.878 N/A GLY 5.A N ILE 189.A O no hydrogen 2.823 N/A ALA 6.A N GLY 68.A O no hydrogen 3.059 N/A ARG 10.A NE GLU 186.A OE1 no hydrogen 2.856 N/A ARG 10.A NH2 GLU 186.A OE1 no hydrogen 3.414 N/A ARG 10.A NH2 GLU 186.A OE2 no hydrogen 2.389 N/A VAL 12.A N GLY 65.A O no hydrogen 2.914 N/A ILE 15.A N VAL 12.A O no hydrogen 3.321 N/A LEU 16.A N VAL 12.A O no hydrogen 2.856 N/A LEU 17.A N ALA 13.A O no hydrogen 2.733 N/A GLY 19.A N ILE 15.A O no hydrogen 2.779 N/A LEU 20.A N LEU 16.A O no hydrogen 3.045 N/A ARG 21.A N LEU 17.A O no hydrogen 3.130 N/A ARG 22.A N GLU 18.A O no hydrogen 2.921 N/A ARG 22.A N GLY 19.A O no hydrogen 2.806 N/A ARG 22.A NE GLU 18.A OE2 no hydrogen 3.157 N/A ARG 22.A NH1 LEU 194.A O no hydrogen 3.043 N/A LEU 23.A N LEU 20.A O no hydrogen 2.289 N/A GLU 24.A N ARG 21.A O no hydrogen 3.317 N/A ARG 26.A NH1 CYS 1.A O no hydrogen 3.279 N/A GLY 27.A N GLU 24.A O no hydrogen 3.135 N/A TYR 28.A OH PRO 598.A O no hydrogen 2.399 N/A ASP 29.A N ARG 73.A O no hydrogen 2.673 N/A ALA 31.A N ARG 47.A O no hydrogen 3.120 N/A ALA 34.A N ILE 69.A O no hydrogen 2.662 N/A VAL 36.A N THR 67.A O no hydrogen 2.788 N/A GLY 40.A N ASP 37.A OD1 no hydrogen 3.282 N/A HIS 41.A N ASP 37.A OD1 no hydrogen 3.162 N/A THR 43.A OG1 HIS 41.A O no hydrogen 3.342 N/A THR 43.A OG1 MET 42.A O no hydrogen 2.212 N/A LEU 45.A N LEU 33.A O no hydrogen 2.978 N/A ARG 46.A NE ARG 46.A O no hydrogen 3.203 N/A ARG 47.A N ALA 31.A O no hydrogen 3.267 N/A ARG 47.A NH1 ARG 46.A O no hydrogen 3.237 N/A LEU 48.A N GLU 82.A OE2 no hydrogen 2.900 N/A GLY 49.A N ASP 29.A O no hydrogen 2.300 N/A LYS 50.A NZ ASP 594.A OD2 no hydrogen 3.232 N/A LYS 50.A NZ GLN 597.A OE1 no hydrogen 2.526 N/A VAL 51.A N GLU 24.A OE2 no hydrogen 3.209 N/A MET 53.A N LYS 50.A O no hydrogen 3.124 N/A LEU 54.A N VAL 51.A O no hydrogen 2.620 N/A ALA 55.A N VAL 51.A O no hydrogen 3.065 N/A GLN 56.A N GLN 52.A O no hydrogen 2.908 N/A ALA 58.A N ALA 55.A O no hydrogen 2.743 N/A GLU 59.A N ALA 55.A O no hydrogen 3.116 N/A GLU 60.A N GLN 56.A O no hydrogen 3.360 N/A HIS 61.A N ALA 58.A O no hydrogen 2.630 N/A GLY 65.A N ASP 11.A OD1 no hydrogen 3.170 N/A THR 67.A OG1 PRO 166.A O no hydrogen 2.608 N/A ILE 69.A N ALA 34.A O no hydrogen 2.867 N/A ALA 70.A N VAL 4.A O no hydrogen 3.041 N/A THR 72.A N GLY 2.A O no hydrogen 2.981 N/A THR 72.A OG1 GLY 2.A O no hydrogen 3.408 N/A THR 72.A OG1 LEU 23.A O no hydrogen 3.037 N/A ARG 73.A NH1 ASN 84.A OD1 no hydrogen 2.917 N/A TRP 74.A NE1 ASN 600.A O no hydrogen 3.145 N/A ALA 75.A N ASP 29.A OD2 no hydrogen 2.565 N/A SER 81.A OG GLU 79.A O no hydrogen 3.000 N/A VAL 83.A N PRO 80.A O no hydrogen 3.176 N/A ASN 84.A N PRO 80.A O no hydrogen 2.873 N/A SER 90.A N ILE 93.A O no hydrogen 2.895 N/A SER 90.A OG HIS 129.A ND1 no hydrogen 3.077 N/A ILE 93.A N SER 90.A O no hydrogen 2.879 N/A VAL 94.A N MET 161.A O no hydrogen 2.685 N/A VAL 95.A N HIS 88.A O no hydrogen 3.384 N/A HIS 97.A NE2 ASP 123.A OD1 no hydrogen 3.171 N/A HIS 97.A NE2 ASP 123.A OD2 no hydrogen 3.193 N/A ASN 98.A ND2 CYS 1.A O no hydrogen 3.152 N/A ASN 98.A ND2 SER 176.A OG no hydrogen 2.744 N/A ILE 100.A N ALA 155.A O no hydrogen 2.689 N/A ILE 101.A N ASP 123.A OD2 no hydrogen 3.296 N/A GLU 102.A N ARG 153.A O no hydrogen 2.302 N/A HIS 104.A N ILE 101.A O no hydrogen 3.366 N/A HIS 104.A N GLU 102.A O no hydrogen 2.362 N/A HIS 104.A ND1 GLU 102.A O no hydrogen 2.835 N/A GLU 105.A N ASN 103.A O no hydrogen 2.317 N/A LEU 107.A N ASN 103.A O no hydrogen 3.230 N/A GLU 109.A N GLU 105.A O no hydrogen 2.945 N/A LEU 111.A N LEU 107.A O no hydrogen 3.173 N/A ALA 113.A N GLU 109.A O no hydrogen 2.871 N/A ARG 114.A N LEU 111.A O no hydrogen 2.329 N/A GLY 115.A N ALA 113.A O no hydrogen 2.689 N/A TYR 116.A OH ASN 132.A OD1 no hydrogen 2.750 N/A SER 120.A OG VAL 83.A O no hydrogen 3.320 N/A SER 120.A OG GLU 121.A O no hydrogen 3.363 N/A THR 124.A N THR 122.A OG1 no hydrogen 3.093 N/A VAL 126.A N ASP 123.A O no hydrogen 3.094 N/A ILE 127.A N THR 124.A O no hydrogen 2.596 N/A ALA 128.A N THR 124.A O no hydrogen 3.247 N/A HIS 129.A NE2 GLU 125.A OE2 no hydrogen 3.063 N/A LEU 130.A N ILE 127.A O no hydrogen 2.996 N/A VAL 131.A N ILE 127.A O no hydrogen 2.708 N/A ASN 132.A N ALA 128.A O no hydrogen 2.943 N/A ASN 132.A ND2 GLU 91.A OE1 no hydrogen 3.053 N/A GLU 134.A N LEU 130.A O no hydrogen 3.198 N/A LEU 135.A N VAL 131.A O no hydrogen 3.062 N/A LEU 135.A N ASN 132.A O no hydrogen 2.608 N/A LYS 136.A N ASN 132.A O no hydrogen 3.323 N/A GLN 137.A NE2 TRP 133.A O no hydrogen 2.881 N/A GLY 138.A N LEU 135.A O no hydrogen 2.956 N/A THR 140.A N GLU 143.A OE1 no hydrogen 2.605 N/A ARG 142.A NE ARG 142.A O no hydrogen 2.847 N/A GLU 143.A N THR 140.A O no hydrogen 2.630 N/A ALA 144.A N THR 140.A O no hydrogen 2.650 N/A VAL 145.A N LEU 141.A O no hydrogen 2.729 N/A ALA 148.A N ALA 144.A O no hydrogen 3.364 N/A ILE 149.A N VAL 145.A O no hydrogen 2.978 N/A GLN 151.A N ALA 148.A O no hydrogen 2.937 N/A LEU 152.A N ILE 149.A O no hydrogen 2.669 N/A TYR 156.A N SER 174.A O no hydrogen 2.520 N/A VAL 159.A N VAL 96.A O no hydrogen 2.986 N/A MET 161.A N VAL 94.A O no hydrogen 2.766 N/A SER 163.A N HIS 92.A O no hydrogen 2.481 N/A SER 163.A OG HIS 92.A O no hydrogen 2.258 N/A ARG 164.A N ASP 162.A OD1 no hydrogen 2.924 N/A HIS 165.A N ASP 162.A O no hydrogen 2.883 N/A ASP 167.A N HIS 165.A O no hydrogen 2.204 N/A THR 168.A N HIS 165.A O no hydrogen 3.378 N/A THR 168.A OG1 ASP 167.A OD2 no hydrogen 3.219 N/A LEU 169.A N ILE 214.A O no hydrogen 2.653 N/A LEU 170.A N ILE 160.A O no hydrogen 2.827 N/A ALA 171.A N ALA 212.A O no hydrogen 3.120 N/A ALA 172.A N THR 158.A O no hydrogen 3.233 N/A ARG 173.A N ASP 210.A O no hydrogen 3.000 N/A ARG 173.A NE GLU 208.A OE1 no hydrogen 2.749 N/A ARG 173.A NH2 GLU 208.A OE1 no hydrogen 2.887 N/A SER 174.A N TYR 156.A O no hydrogen 3.063 N/A GLY 175.A N GLU 208.A OE1 no hydrogen 2.972 N/A GLY 175.A N GLU 208.A OE2 no hydrogen 2.343 N/A SER 176.A OG PRO 177.A O no hydrogen 3.569 N/A VAL 179.A N ALA 190.A O no hydrogen 2.665 N/A ILE 180.A N ILE 204.A O no hydrogen 3.062 N/A GLY 181.A N PHE 188.A O no hydrogen 2.426 N/A LEU 182.A N ARG 202.A O no hydrogen 2.830 N/A GLY 183.A N GLU 186.A O no hydrogen 2.816 N/A ASN 187.A ND2 THR 215.A O no hydrogen 2.741 N/A PHE 188.A N GLY 181.A O no hydrogen 2.660 N/A ILE 189.A N GLY 5.A O no hydrogen 2.503 N/A ALA 190.A N VAL 179.A O no hydrogen 2.852 N/A SER 191.A N ILE 3.A O no hydrogen 2.845 N/A SER 191.A OG CYS 1.A O no hydrogen 3.316 N/A LEU 194.A N ASP 192.A O no hydrogen 2.368 N/A ALA 195.A N ASP 192.A O no hydrogen 3.131 N/A THR 200.A OG1 LEU 182.A O no hydrogen 2.751 N/A THR 200.A OG1 ARG 202.A O no hydrogen 3.153 N/A ARG 201.A NE LEU 197.A O no hydrogen 3.214 N/A ARG 202.A N THR 200.A OG1 no hydrogen 2.496 N/A ARG 202.A NH1 ASP 233.A OD2 no hydrogen 2.902 N/A PHE 203.A N ILE 234.A O no hydrogen 2.728 N/A ILE 204.A N ILE 180.A O no hydrogen 2.974 N/A ILE 211.A N PHE 222.A O no hydrogen 2.967 N/A GLU 213.A N ASN 220.A O no hydrogen 2.333 N/A ILE 214.A N LEU 169.A O no hydrogen 3.005 N/A THR 215.A N SER 218.A O no hydrogen 3.095 N/A THR 215.A OG1 SER 218.A O no hydrogen 3.149 N/A THR 215.A OG1 SER 218.A OG no hydrogen 2.452 N/A ARG 217.A N THR 215.A OG1 no hydrogen 2.776 N/A SER 218.A OG THR 215.A OG1 no hydrogen 2.452 N/A ASN 220.A N GLU 213.A O no hydrogen 2.759 N/A ASP 223.A N ALA 227.A O no hydrogen 3.055 N/A THR 225.A OG1 ASP 223.A OD1 no hydrogen 3.110 N/A THR 225.A OG1 ASP 223.A OD2 no hydrogen 3.236 N/A GLY 226.A N ASP 223.A OD1 no hydrogen 2.761 N/A ALA 227.A N ASP 223.A OD1 no hydrogen 3.263 N/A ALA 227.A N THR 225.A OG1 no hydrogen 3.335 N/A VAL 229.A N ILE 221.A O no hydrogen 2.847 N/A ARG 231.A NH2 ASP 210.A OD1 no hydrogen 2.378 N/A ILE 234.A N PHE 203.A O no hydrogen 2.638 N/A SER 236.A N ARG 201.A O no hydrogen 2.944 N/A SER 236.A OG GLN 193.A OE1 no hydrogen 2.843 N/A GLN 239.A N ASN 237.A O no hydrogen 2.245 N/A TYR 240.A N ASN 237.A O no hydrogen 3.138 N/A ASP 244.A N ASP 241.A O no hydrogen 3.257 N/A LYS 245.A NZ ARG 249.A O no hydrogen 2.906 N/A GLY 246.A N ASP 244.A OD1 no hydrogen 2.994 N/A TYR 248.A N LYS 245.A O no hydrogen 2.748 N/A TYR 251.A N ASP 596.A OD2 no hydrogen 2.424 N/A TYR 251.A OH GLY 243.A O no hydrogen 2.688 N/A MET 252.A N ASP 596.A OD1 no hydrogen 2.569 N/A LYS 254.A N HIS 250.A O no hydrogen 3.153 N/A GLU 255.A N TYR 251.A O no hydrogen 2.519 N/A ILE 256.A N MET 252.A O no hydrogen 2.374 N/A TYR 257.A N GLN 253.A O no hydrogen 2.846 N/A TYR 257.A OH ASP 451.A OD2 no hydrogen 2.521 N/A GLU 258.A N GLU 255.A O no hydrogen 3.132 N/A GLN 259.A N ILE 256.A O no hydrogen 3.114 N/A GLN 259.A NE2 GLN 581.A OE1 no hydrogen 2.823 N/A ALA 262.A N GLU 258.A O no hydrogen 2.537 N/A ILE 263.A N GLN 259.A O no hydrogen 2.861 N/A ASN 265.A N ASN 261.A O no hydrogen 3.269 N/A THR 266.A OG1 ALA 262.A O no hydrogen 2.861 N/A THR 266.A OG1 ILE 263.A O no hydrogen 2.890 N/A THR 266.A OG1 THR 391.A O no hydrogen 2.827 N/A LEU 267.A N ILE 263.A O no hydrogen 2.724 N/A THR 268.A OG1 LYS 264.A O no hydrogen 3.109 N/A ARG 270.A NE GLU 280.A OE1 no hydrogen 2.943 N/A ARG 270.A NE GLU 280.A OE2 no hydrogen 3.146 N/A ARG 270.A NH1 THR 266.A O no hydrogen 2.716 N/A ARG 270.A NH1 MET 390.A O no hydrogen 3.192 N/A ARG 270.A NH2 GLU 280.A OE2 no hydrogen 2.800 N/A ARG 270.A NH2 MET 390.A O no hydrogen 2.546 N/A HIS 273.A N ILE 271.A O no hydrogen 3.131 N/A GLN 275.A NE2 HIS 431.A NE2 no hydrogen 3.250 N/A ASP 277.A N ARG 270.A O no hydrogen 2.323 N/A SER 279.A N ASP 277.A OD1 no hydrogen 2.581 N/A SER 279.A OG ASP 277.A OD1 no hydrogen 2.495 N/A GLY 282.A N SER 279.A O no hydrogen 2.359 N/A LEU 288.A N ALA 285.A O no hydrogen 2.799 N/A VAL 292.A N LEU 289.A O no hydrogen 3.087 N/A GLU 293.A N ASN 340.A O no hydrogen 2.840 N/A HIS 294.A N ASN 340.A O no hydrogen 3.293 N/A HIS 294.A ND1 SER 341.A OG no hydrogen 3.003 N/A ILE 295.A N PRO 321.A O no hydrogen 2.999 N/A ILE 297.A N ASP 323.A O no hydrogen 2.978 N/A LEU 298.A N ILE 344.A O no hydrogen 3.321 N/A THR 302.A OG1 GLU 481.A OE1 no hydrogen 2.903 N/A THR 302.A OG1 GLU 481.A OE2 no hydrogen 2.884 N/A SER 303.A OG LEU 346.A O no hydrogen 2.677 N/A TYR 304.A N CYS 300.A O no hydrogen 2.805 N/A TYR 304.A N GLY 301.A O no hydrogen 2.602 N/A ASN 305.A N GLY 301.A O no hydrogen 3.250 N/A SER 306.A N THR 302.A O no hydrogen 3.304 N/A SER 306.A OG THR 302.A O no hydrogen 3.195 N/A SER 306.A OG SER 303.A O no hydrogen 2.620 N/A MET 308.A N TYR 304.A O no hydrogen 3.032 N/A VAL 309.A N ASN 305.A O no hydrogen 3.026 N/A SER 310.A N SER 306.A O no hydrogen 3.028 N/A SER 310.A OG SER 306.A O no hydrogen 3.060 N/A SER 310.A OG GLY 307.A O no hydrogen 2.062 N/A ARG 311.A N GLY 307.A O no hydrogen 3.144 N/A ARG 311.A NE CYS 322.A O no hydrogen 3.225 N/A PHE 314.A N SER 310.A O no hydrogen 2.742 N/A PHE 314.A N ARG 311.A O no hydrogen 3.158 N/A GLU 315.A N TYR 312.A O no hydrogen 3.435 N/A SER 316.A N TYR 312.A O no hydrogen 2.957 N/A SER 316.A OG TYR 312.A O no hydrogen 2.814 N/A ALA 318.A N TRP 313.A O no hydrogen 3.297 N/A GLY 319.A N GLU 315.A O no hydrogen 2.887 N/A ILE 320.A N PHE 314.A O no hydrogen 2.596 N/A CYS 322.A N GLU 315.A OE2 no hydrogen 3.298 N/A CYS 322.A SG ILE 295.A O no hydrogen 3.572 N/A CYS 322.A SG ASP 323.A O no hydrogen 3.548 N/A ASP 323.A N ILE 295.A O no hydrogen 2.950 N/A ALA 327.A N ALA 299.A O no hydrogen 2.719 N/A GLU 329.A N ILE 326.A O no hydrogen 2.986 N/A PHE 330.A N ILE 326.A O no hydrogen 3.311 N/A ARG 331.A N ALA 327.A O no hydrogen 3.217 N/A ARG 331.A NH1 ASP 354.A OD1 no hydrogen 2.993 N/A TYR 332.A N GLU 329.A O no hydrogen 3.117 N/A ARG 333.A N PHE 330.A O no hydrogen 2.684 N/A ARG 333.A NE GLU 325.A OE1 no hydrogen 3.364 N/A ARG 333.A NE GLU 325.A OE2 no hydrogen 2.822 N/A ARG 333.A NH2 GLU 325.A OE1 no hydrogen 3.398 N/A SER 335.A OG ARG 333.A O no hydrogen 3.146 N/A ARG 338.A NH1 ALA 336.A O no hydrogen 2.759 N/A ASN 340.A ND2 GLU 293.A OE1 no hydrogen 2.758 N/A SER 341.A OG HIS 294.A ND1 no hydrogen 3.003 N/A LEU 342.A N HIS 294.A O no hydrogen 2.950 N/A THR 345.A N LEU 371.A O no hydrogen 3.255 N/A THR 345.A OG1 LEU 371.A O no hydrogen 3.344 N/A SER 347.A OG SER 349.A OG no hydrogen 3.421 N/A SER 347.A OG THR 352.A OG1 no hydrogen 3.191 N/A SER 349.A OG SER 347.A OG no hydrogen 3.421 N/A GLY 350.A N SER 347.A OG no hydrogen 3.086 N/A GLU 351.A N SER 349.A OG no hydrogen 2.280 N/A THR 352.A OG1 SER 347.A OG no hydrogen 3.191 N/A ALA 353.A N VAL 605.A O no hydrogen 3.465 N/A LEU 356.A N THR 352.A O no hydrogen 3.002 N/A LEU 356.A N ALA 353.A O no hydrogen 3.162 N/A ALA 357.A N ALA 353.A O no hydrogen 2.880 N/A GLY 358.A N ASP 354.A O no hydrogen 2.886 N/A LEU 359.A N THR 355.A O no hydrogen 3.297 N/A ARG 360.A N LEU 356.A O no hydrogen 2.748 N/A LEU 361.A N ALA 357.A O no hydrogen 2.530 N/A SER 362.A N GLY 358.A O no hydrogen 2.732 N/A LYS 363.A N LEU 359.A O no hydrogen 3.253 N/A LYS 363.A N ARG 360.A O no hydrogen 2.842 N/A GLU 364.A N LEU 361.A O no hydrogen 2.748 N/A LEU 365.A N LEU 361.A O no hydrogen 3.234 N/A LEU 368.A N SER 341.A O no hydrogen 2.852 N/A SER 370.A N ASP 386.A OD2 no hydrogen 3.123 N/A SER 370.A OG ASP 386.A OD2 no hydrogen 2.792 N/A CYS 374.A SG SER 347.A O no hydrogen 3.888 N/A CYS 374.A SG VAL 376.A O no hydrogen 3.345 N/A CYS 374.A SG SER 379.A OG no hydrogen 3.667 N/A ASN 375.A N GLN 348.A O no hydrogen 3.142 N/A ASN 375.A ND2 GLN 348.A OE1 no hydrogen 2.799 N/A ASN 375.A ND2 GLY 394.A O no hydrogen 2.916 N/A VAL 376.A N GLN 348.A O no hydrogen 3.323 N/A SER 379.A OG VAL 376.A O no hydrogen 2.125 N/A SER 380.A N GLU 351.A OE1 no hydrogen 2.920 N/A SER 380.A N GLU 351.A OE2 no hydrogen 2.897 N/A LEU 381.A N GLY 350.A O no hydrogen 2.757 N/A ARG 383.A N SER 379.A O no hydrogen 2.851 N/A ARG 383.A N SER 380.A O no hydrogen 3.218 N/A GLU 384.A N SER 380.A O no hydrogen 3.028 N/A SER 385.A OG LEU 381.A O no hydrogen 2.889 N/A LEU 389.A N ALA 372.A O no hydrogen 2.664 N/A THR 391.A N CYS 374.A O no hydrogen 2.899 N/A THR 391.A OG1 CYS 374.A O no hydrogen 2.575 N/A THR 391.A OG1 ASN 375.A OD1 no hydrogen 2.897 N/A ASN 392.A ND2 ASN 265.A O no hydrogen 3.064 N/A ALA 393.A N ASN 375.A OD1 no hydrogen 2.947 N/A ILE 397.A N GLU 255.A OE1 no hydrogen 2.200 N/A GLY 398.A N GLU 255.A OE1 no hydrogen 2.839 N/A VAL 399.A N ASP 596.A O no hydrogen 3.301 N/A THR 402.A N GLU 396.A OE2 no hydrogen 2.862 N/A LYS 403.A NZ ALA 393.A O no hydrogen 2.367 N/A LYS 403.A NZ THR 395.A O no hydrogen 3.261 N/A ALA 404.A N GLU 396.A OE2 no hydrogen 2.742 N/A THR 406.A N THR 402.A O no hydrogen 3.190 N/A THR 406.A OG1 GLN 259.A OE1 no hydrogen 3.151 N/A THR 407.A N LYS 403.A O no hydrogen 2.954 N/A THR 407.A OG1 LYS 403.A O no hydrogen 2.605 N/A THR 407.A OG1 ALA 404.A O no hydrogen 2.649 N/A GLN 408.A N ALA 404.A O no hydrogen 3.094 N/A GLN 408.A NE2 SER 303.A OG no hydrogen 2.434 N/A GLN 408.A NE2 LEU 346.A O no hydrogen 2.374 N/A LEU 409.A N PHE 405.A O no hydrogen 3.093 N/A THR 410.A N THR 406.A O no hydrogen 3.161 N/A THR 410.A OG1 THR 406.A O no hydrogen 3.111 N/A VAL 411.A N THR 407.A O no hydrogen 2.893 N/A LEU 412.A N GLN 408.A O no hydrogen 2.958 N/A LEU 413.A N LEU 409.A O no hydrogen 2.714 N/A MET 414.A N THR 410.A O no hydrogen 2.996 N/A LEU 415.A N VAL 411.A O no hydrogen 2.831 N/A VAL 416.A N LEU 412.A O no hydrogen 2.899 N/A VAL 416.A N LEU 413.A O no hydrogen 3.182 N/A ALA 417.A N LEU 413.A O no hydrogen 3.306 N/A LYS 418.A N MET 414.A O no hydrogen 2.974 N/A LYS 418.A NZ ASP 286.A OD1 no hydrogen 2.759 N/A LYS 418.A NZ ASP 286.A OD2 no hydrogen 2.775 N/A LEU 419.A N LEU 415.A O no hydrogen 2.794 N/A SER 420.A N VAL 416.A O no hydrogen 2.494 N/A LYS 421.A N ALA 417.A O no hydrogen 2.917 N/A LYS 421.A NZ GLN 275.A OE1 no hydrogen 2.362 N/A LEU 422.A N LYS 418.A O no hydrogen 2.640 N/A LYS 423.A N SER 420.A O no hydrogen 2.661 N/A LYS 423.A NZ GLY 319.A O no hydrogen 3.545 N/A SER 428.A N ASP 426.A OD1 no hydrogen 2.661 N/A ILE 429.A N ASP 426.A O no hydrogen 2.718 N/A HIS 431.A N ALA 427.A O no hydrogen 3.305 N/A ASP 432.A N SER 428.A O no hydrogen 3.253 N/A ILE 433.A N ILE 429.A O no hydrogen 2.876 N/A VAL 434.A N GLU 430.A O no hydrogen 2.843 N/A HIS 435.A N HIS 431.A O no hydrogen 2.866 N/A GLY 436.A N ASP 432.A O no hydrogen 3.235 N/A LEU 437.A N ILE 433.A O no hydrogen 2.966 N/A GLN 438.A N VAL 434.A O no hydrogen 2.581 N/A ALA 439.A N LEU 437.A O no hydrogen 2.269 N/A LEU 440.A N LEU 437.A O no hydrogen 2.616 N/A SER 442.A OG ALA 439.A O no hydrogen 3.069 N/A ARG 443.A N LEU 440.A O no hydrogen 2.619 N/A ARG 443.A NE GLU 568.A OE2 no hydrogen 3.037 N/A ILE 444.A N LEU 440.A O no hydrogen 2.921 N/A GLU 445.A N PRO 441.A O no hydrogen 3.022 N/A GLN 446.A N SER 442.A O no hydrogen 3.453 N/A MET 447.A N ARG 443.A O no hydrogen 2.721 N/A LEU 448.A N ILE 444.A O no hydrogen 2.874 N/A SER 449.A N GLU 445.A O no hydrogen 3.304 N/A SER 449.A OG GLN 446.A O no hydrogen 2.676 N/A GLN 450.A N LEU 448.A O no hydrogen 2.370 N/A ASP 451.A N LEU 448.A O no hydrogen 2.615 N/A ILE 454.A N GLN 450.A O no hydrogen 3.367 N/A GLU 455.A N ASP 451.A O no hydrogen 2.826 N/A ALA 456.A N LYS 452.A O no hydrogen 2.777 N/A LEU 457.A N ARG 453.A O no hydrogen 3.015 N/A ALA 458.A N ILE 454.A O no hydrogen 2.986 N/A GLU 459.A N ALA 456.A O no hydrogen 2.973 N/A ASP 460.A N LEU 457.A O no hydrogen 2.416 N/A PHE 461.A N ALA 458.A O no hydrogen 2.825 N/A SER 462.A N GLU 459.A O no hydrogen 3.204 N/A LYS 464.A N PHE 461.A O no hydrogen 3.088 N/A ALA 467.A N HIS 493.A O no hydrogen 2.811 N/A LEU 468.A N PRO 515.A O no hydrogen 3.142 N/A PHE 469.A N GLU 495.A O no hydrogen 2.497 N/A LEU 470.A N ILE 517.A O no hydrogen 3.061 N/A GLY 471.A N TYR 497.A O no hydrogen 3.454 N/A ARG 472.A NH2 ASN 532.A OD1 no hydrogen 3.312 N/A TYR 476.A N GLY 473.A O no hydrogen 3.438 N/A ALA 479.A N GLN 475.A O no hydrogen 2.931 N/A LEU 480.A N TYR 476.A O no hydrogen 2.761 N/A GLU 481.A N PRO 477.A O no hydrogen 2.560 N/A GLY 482.A N ILE 478.A O no hydrogen 3.173 N/A ALA 483.A N LEU 480.A O no hydrogen 3.065 N/A LEU 484.A N LEU 480.A O no hydrogen 3.250 N/A LYS 485.A N GLU 481.A O no hydrogen 3.002 N/A LYS 485.A NZ THR 302.A OG1 no hydrogen 3.159 N/A LYS 485.A NZ GLU 488.A OE1 no hydrogen 3.552 N/A LYS 487.A N ALA 483.A O no hydrogen 2.544 N/A GLU 488.A N LEU 484.A O no hydrogen 2.944 N/A GLU 488.A N LYS 485.A O no hydrogen 2.276 N/A ILE 489.A N LYS 485.A O no hydrogen 3.115 N/A SER 490.A N LEU 486.A O no hydrogen 2.954 N/A SER 490.A OG LEU 486.A O no hydrogen 3.033 N/A ILE 492.A N SER 490.A OG no hydrogen 3.340 N/A HIS 493.A N HIS 465.A O no hydrogen 3.321 N/A GLU 495.A N ALA 467.A O no hydrogen 2.668 N/A TYR 497.A N PHE 469.A O no hydrogen 2.618 N/A ALA 499.A N GLY 471.A O no hydrogen 2.979 N/A GLU 501.A N ALA 499.A O no hydrogen 2.605 N/A LEU 502.A N ALA 499.A O no hydrogen 3.334 N/A LYS 503.A NZ GLU 535.A OE2 no hydrogen 2.429 N/A HIS 504.A N GLU 501.A O no hydrogen 3.232 N/A GLY 505.A N LEU 502.A O no hydrogen 2.904 N/A LEU 507.A N LEU 502.A O no hydrogen 3.005 N/A ALA 508.A N GLY 505.A O no hydrogen 2.760 N/A LEU 509.A N PRO 506.A O no hydrogen 2.901 N/A ASP 513.A N ASP 511.A OD1 no hydrogen 2.681 N/A ILE 517.A N LEU 468.A O no hydrogen 2.587 N/A VAL 518.A N TYR 544.A O no hydrogen 2.873 N/A VAL 519.A N LEU 470.A O no hydrogen 3.464 N/A ALA 520.A N PHE 546.A O no hydrogen 2.994 N/A ASN 522.A ND2 ASP 548.A OD2 no hydrogen 3.553 N/A LEU 526.A N ASN 523.A O no hydrogen 3.292 N/A LEU 529.A N LEU 525.A O no hydrogen 3.047 N/A LEU 529.A N LEU 526.A O no hydrogen 2.754 N/A LYS 530.A N LEU 526.A O no hydrogen 2.735 N/A LYS 530.A NZ GLU 534.A OE2 no hydrogen 2.947 N/A SER 531.A N GLU 527.A O no hydrogen 2.938 N/A ASN 532.A ND2 LYS 528.A O no hydrogen 2.494 N/A ASN 532.A ND2 LEU 529.A O no hydrogen 2.329 N/A ILE 533.A N LEU 529.A O no hydrogen 2.956 N/A GLU 534.A N LYS 530.A O no hydrogen 3.056 N/A GLU 535.A N SER 531.A O no hydrogen 2.569 N/A VAL 536.A N ASN 532.A O no hydrogen 2.775 N/A ARG 537.A N ILE 533.A O no hydrogen 2.635 N/A ARG 537.A NH1 GLU 534.A OE1 no hydrogen 3.283 N/A ALA 538.A N GLU 534.A O no hydrogen 2.876 N/A GLY 540.A N ARG 537.A O no hydrogen 3.088 N/A GLN 542.A NE2 ALA 512.A O no hydrogen 3.306 N/A LEU 543.A N ASN 558.A O no hydrogen 2.796 N/A TYR 544.A N VAL 516.A O no hydrogen 3.079 N/A TYR 544.A OH ASP 460.A OD2 no hydrogen 3.131 N/A VAL 545.A N HIS 560.A O no hydrogen 2.650 N/A PHE 546.A N VAL 518.A O no hydrogen 2.736 N/A ASP 548.A N ALA 520.A O no hydrogen 2.927 N/A GLN 549.A N MET 564.A O no hydrogen 2.811 N/A ASP 550.A N ASP 548.A OD1 no hydrogen 2.184 N/A ALA 551.A N ASP 548.A O no hydrogen 3.091 N/A ASN 558.A N SER 556.A OG no hydrogen 3.120 N/A MET 559.A N SER 556.A O no hydrogen 2.650 N/A MET 559.A N SER 556.A OG no hydrogen 3.340 N/A ILE 562.A N VAL 545.A O no hydrogen 3.042 N/A ALA 572.A N GLU 569.A O no hydrogen 2.915 N/A ILE 574.A N ILE 571.A O no hydrogen 3.034 N/A PHE 575.A N ILE 571.A O no hydrogen 3.171 N/A TYR 576.A N ALA 572.A O no hydrogen 2.957 N/A THR 577.A N ILE 574.A O no hydrogen 2.594 N/A THR 577.A OG1 PRO 573.A O no hydrogen 2.608 N/A THR 577.A OG1 ILE 574.A O no hydrogen 3.059 N/A VAL 578.A N PHE 575.A O no hydrogen 2.930 N/A GLN 581.A N VAL 578.A O no hydrogen 2.513 N/A GLN 581.A NE2 GLN 259.A OE1 no hydrogen 2.749 N/A LEU 582.A N VAL 578.A O no hydrogen 2.928 N/A LEU 583.A N PRO 579.A O no hydrogen 2.991 N/A ALA 584.A N LEU 580.A O no hydrogen 3.237 N/A TYR 585.A N GLN 581.A O no hydrogen 2.922 N/A HIS 586.A N LEU 582.A O no hydrogen 2.723 N/A HIS 586.A NE2 ASP 451.A OD2 no hydrogen 3.174 N/A VAL 587.A N LEU 583.A O no hydrogen 2.858 N/A ALA 588.A N ALA 584.A O no hydrogen 2.963 N/A LEU 589.A N TYR 585.A O no hydrogen 2.997 N/A LEU 589.A N HIS 586.A O no hydrogen 3.025 N/A ILE 590.A N HIS 586.A O no hydrogen 3.007 N/A LYS 591.A N VAL 587.A O no hydrogen 2.539 N/A LYS 591.A NZ SER 462.A O no hydrogen 2.611 N/A LYS 591.A NZ LYS 464.A O no hydrogen 2.771 N/A GLY 592.A N ALA 588.A O no hydrogen 2.793 N/A GLY 592.A N LEU 589.A O no hydrogen 2.435 N/A THR 593.A N ALA 588.A O no hydrogen 2.922 N/A THR 593.A OG1 ILE 489.A O no hydrogen 2.539 N/A THR 593.A OG1 ALA 588.A O no hydrogen 2.846 N/A VAL 595.A N THR 593.A O no hydrogen 2.558 N/A GLN 597.A N ASP 594.A OD1 no hydrogen 2.849 N/A GLN 597.A NE2 GLU 24.A OE1 no hydrogen 3.270 N/A ARG 599.A N TYR 491.A OH no hydrogen 2.326 N/A LYS 603.A NZ GLU 396.A OE1 no hydrogen 2.223 N/A LYS 603.A NZ GLY 398.A O no hydrogen 3.292 N/A