Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2waq_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 7.A N ILE 3.A O no hydrogen 2.759 N/A LYS 8.A N ASP 4.A O no hydrogen 3.341 N/A GLU 11.A N TRP 7.A O no hydrogen 2.928 N/A ALA 12.A N LYS 8.A O no hydrogen 3.193 N/A ALA 12.A N VAL 9.A O no hydrogen 3.278 N/A PHE 14.A N ILE 10.A O no hydrogen 3.129 N/A SER 16.A N TYR 13.A O no hydrogen 3.320 N/A SER 16.A OG ASP 589.A OD2 no hydrogen 3.126 N/A LYS 17.A N TYR 13.A O no hydrogen 3.185 N/A LYS 17.A NZ ASP 25.A OD2 no hydrogen 3.483 N/A GLN 22.A N VAL 20.A O no hydrogen 2.420 N/A TYR 27.A N HIS 23.A O no hydrogen 2.805 N/A ASN 28.A N LEU 24.A O no hydrogen 2.802 N/A ASP 29.A N ASP 25.A O no hydrogen 3.143 N/A PHE 30.A N SER 26.A O no hydrogen 3.171 N/A VAL 31.A N TYR 27.A O no hydrogen 2.956 N/A ASN 33.A N ASP 29.A O no hydrogen 2.975 N/A LYS 34.A N ASP 29.A O no hydrogen 3.241 N/A GLN 36.A N LYS 34.A O no hydrogen 2.523 N/A ILE 39.A N LEU 35.A O no hydrogen 3.079 N/A ASP 40.A N GLU 37.A O no hydrogen 3.347 N/A GLU 41.A N ILE 39.A O no hydrogen 2.734 N/A THR 47.A N GLU 364.A OE2 no hydrogen 3.217 N/A LYS 53.A N VAL 99.A O no hydrogen 2.955 N/A ARG 55.A N ILE 97.A O no hydrogen 2.816 N/A GLY 57.A N THR 95.A O no hydrogen 2.738 N/A ARG 60.A N TRP 93.A O no hydrogen 2.890 N/A GLY 62.A N PRO 91.A O no hydrogen 3.217 N/A ARG 65.A N LYS 63.A O no hydrogen 2.370 N/A VAL 66.A N ARG 74.A O no hydrogen 3.097 N/A GLU 68.A N GLY 72.A O no hydrogen 2.733 N/A GLY 72.A N GLU 68.A O no hydrogen 2.925 N/A MET 79.A N SER 77.A OG no hydrogen 3.170 N/A ALA 81.A N SER 77.A O no hydrogen 3.011 N/A ARG 82.A N PRO 78.A O no hydrogen 3.036 N/A ARG 82.A NH1 TYR 147.A OH no hydrogen 3.487 N/A ARG 82.A NH1 GLU 154.A OE2 no hydrogen 2.721 N/A LEU 83.A N MET 79.A O no hydrogen 3.157 N/A ARG 84.A N GLU 80.A O no hydrogen 2.995 N/A ARG 84.A NH1 GLU 825.A O no hydrogen 2.767 N/A LEU 86.A N ALA 81.A O no hydrogen 2.835 N/A TYR 88.A N ILE 149.A O no hydrogen 2.941 N/A TYR 88.A OH ASP 124.A OD2 no hydrogen 2.719 N/A ALA 90.A N LEU 115.A O no hydrogen 3.254 N/A LEU 92.A N GLY 113.A O no hydrogen 2.871 N/A TRP 93.A N ARG 60.A O no hydrogen 3.032 N/A LEU 94.A N VAL 110.A O no hydrogen 2.682 N/A THR 95.A N LYS 58.A O no hydrogen 3.393 N/A MET 96.A N GLU 108.A O no hydrogen 3.109 N/A ILE 97.A N ARG 55.A O no hydrogen 2.917 N/A VAL 99.A N LYS 53.A O no hydrogen 2.686 N/A GLU 100.A N ASN 102.A O no hydrogen 2.919 N/A ASN 101.A N GLY 51.A O no hydrogen 2.710 N/A VAL 110.A N LEU 94.A O no hydrogen 2.940 N/A TYR 111.A OH ASP 114.A OD2 no hydrogen 3.198 N/A ILE 112.A N LEU 92.A O no hydrogen 3.192 N/A ASP 114.A N THR 385.A OG1 no hydrogen 3.169 N/A LEU 115.A N ALA 90.A O no hydrogen 3.283 N/A ILE 117.A N TYR 88.A O no hydrogen 2.744 N/A LEU 119.A N TYR 147.A O no hydrogen 3.172 N/A LYS 120.A N ASP 124.A OD1 no hydrogen 2.693 N/A LYS 120.A NZ ASP 143.A O no hydrogen 3.315 N/A SER 121.A OG MET 118.A O no hydrogen 2.639 N/A ALA 122.A N ASN 28.A OD1 no hydrogen 2.730 N/A SER 127.A N ASP 124.A O no hydrogen 3.195 N/A SER 127.A OG LYS 120.A O no hydrogen 3.379 N/A GLN 128.A N PRO 125.A O no hydrogen 3.073 N/A LYS 133.A N THR 130.A O no hydrogen 3.058 N/A LEU 134.A N THR 130.A O no hydrogen 3.378 N/A GLU 136.A N ASP 132.A O no hydrogen 3.167 N/A ILE 137.A N LYS 133.A O no hydrogen 2.832 N/A GLY 138.A N LEU 134.A O no hydrogen 2.967 N/A GLU 139.A N LEU 134.A O no hydrogen 3.065 N/A ASP 143.A N ASP 140.A O no hydrogen 3.395 N/A GLY 145.A N ASP 143.A OD1 no hydrogen 2.949 N/A TYR 147.A OH ASP 143.A OD1 no hydrogen 3.198 N/A TYR 147.A OH ASP 143.A OD2 no hydrogen 2.998 N/A PHE 148.A N ARG 155.A O no hydrogen 2.604 N/A VAL 150.A N SER 153.A O no hydrogen 3.071 N/A GLY 152.A N LEU 86.A O no hydrogen 3.001 N/A SER 153.A N VAL 150.A O no hydrogen 3.208 N/A SER 153.A OG VAL 150.A O no hydrogen 3.208 N/A ARG 155.A N PHE 148.A O no hydrogen 2.663 N/A VAL 156.A N GLN 406.A O no hydrogen 2.908 N/A VAL 158.A N VAL 404.A O no hydrogen 3.266 N/A GLN 160.A N ARG 338.A O no hydrogen 3.123 N/A GLN 160.A NE2 VAL 158.A O no hydrogen 2.736 N/A GLU 161.A N ILE 424.A O no hydrogen 2.666 N/A ASP 162.A N ARG 336.A O no hydrogen 2.766 N/A ALA 164.A N ASN 334.A O no hydrogen 2.875 N/A ASN 166.A N ILE 186.A O no hydrogen 2.569 N/A ARG 167.A N PRO 165.A O no hydrogen 2.834 N/A ARG 167.A NH2 ASN 553.A OD1 no hydrogen 2.833 N/A LEU 169.A N LYS 184.A O no hydrogen 3.242 N/A VAL 170.A N ASP 327.A OD1 no hydrogen 2.993 N/A ASP 171.A N THR 182.A O no hydrogen 2.699 N/A GLY 173.A N THR 180.A O no hydrogen 2.797 N/A THR 175.A N GLY 173.A O no hydrogen 2.799 N/A THR 180.A OG1 ASN 178.A O no hydrogen 3.486 N/A THR 182.A N ASP 171.A O no hydrogen 2.948 N/A THR 182.A OG1 ALA 183.A O no hydrogen 3.515 N/A LYS 184.A N LEU 169.A O no hydrogen 2.685 N/A ILE 185.A N GLU 197.A O no hydrogen 2.964 N/A SER 187.A N THR 195.A O no hydrogen 3.428 N/A SER 187.A OG THR 195.A O no hydrogen 3.158 N/A THR 189.A OG1 ARG 191.A O no hydrogen 2.839 N/A ALA 190.A N HIS 294.A O no hydrogen 2.788 N/A THR 195.A N SER 187.A O no hydrogen 3.162 N/A GLU 197.A N ILE 185.A O no hydrogen 3.139 N/A ARG 198.A N SER 207.A O no hydrogen 3.381 N/A VAL 206.A N ILE 215.A O no hydrogen 2.983 N/A SER 207.A N ARG 198.A O no hydrogen 3.011 N/A VAL 211.A N PHE 208.A O no hydrogen 3.352 N/A PHE 217.A N PHE 204.A O no hydrogen 2.714 N/A LEU 220.A N PRO 216.A O no hydrogen 3.478 N/A MET 221.A N PHE 217.A O no hydrogen 3.100 N/A ARG 222.A N VAL 218.A O no hydrogen 3.366 N/A ALA 223.A N ILE 219.A O no hydrogen 3.344 N/A GLY 225.A N ARG 222.A O no hydrogen 3.306 N/A ASP 231.A N THR 228.A O no hydrogen 3.251 N/A ILE 232.A N THR 228.A O no hydrogen 3.219 N/A SER 237.A N VAL 233.A O no hydrogen 3.521 N/A SER 237.A OG GLN 243.A OE1 no hydrogen 2.695 N/A GLN 243.A N PRO 240.A O no hydrogen 3.103 N/A SER 249.A OG GLU 245.A O no hydrogen 2.627 N/A GLN 252.A N LEU 250.A O no hydrogen 2.799 N/A GLN 252.A NE2 HIS 205.A NE2 no hydrogen 3.620 N/A ASN 258.A ND2 ASP 261.A OD2 no hydrogen 3.158 N/A ALA 262.A N ASN 258.A O no hydrogen 3.344 N/A LEU 263.A N VAL 259.A O no hydrogen 3.464 N/A ASP 264.A N ASP 260.A O no hydrogen 3.063 N/A PHE 265.A N ASP 261.A O no hydrogen 3.217 N/A ILE 266.A N ALA 262.A O no hydrogen 3.285 N/A GLY 267.A N LEU 263.A O no hydrogen 2.759 N/A SER 268.A N ASP 264.A O no hydrogen 2.844 N/A SER 268.A OG ASP 264.A O no hydrogen 3.545 N/A SER 268.A OG PHE 265.A O no hydrogen 3.168 N/A ARG 269.A N ILE 266.A O no hydrogen 3.145 N/A ALA 271.A N GLY 267.A O no hydrogen 3.166 N/A ARG 279.A N LYS 275.A O no hydrogen 3.157 N/A ILE 280.A N ARG 276.A O no hydrogen 3.279 N/A GLU 281.A N GLU 277.A O no hydrogen 3.205 N/A LYS 282.A N ASN 278.A O no hydrogen 3.204 N/A GLN 284.A N ILE 280.A O no hydrogen 3.207 N/A ILE 287.A N ALA 283.A O no hydrogen 2.959 N/A ASP 288.A N GLN 284.A O no hydrogen 3.369 N/A LYS 289.A N ILE 286.A O no hydrogen 3.258 N/A TYR 290.A N ILE 287.A O no hydrogen 3.219 N/A PHE 291.A N ILE 287.A O no hydrogen 2.753 N/A SER 298.A OG ASP 301.A OD2 no hydrogen 2.777 N/A ARG 302.A NE ASP 288.A OD1 no hydrogen 3.067 N/A ARG 302.A NE ASP 288.A OD2 no hydrogen 3.181 N/A ARG 302.A NH2 ASP 288.A OD1 no hydrogen 2.797 N/A LYS 305.A N ARG 302.A O no hydrogen 3.364 N/A LYS 305.A NZ PHE 291.A O no hydrogen 3.550 N/A LYS 305.A NZ GLY 296.A O no hydrogen 3.176 N/A ALA 306.A N ARG 303.A O no hydrogen 3.125 N/A TYR 307.A N ARG 303.A O no hydrogen 3.377 N/A TYR 308.A OH ASN 166.A O no hydrogen 2.828 N/A TYR 308.A OH GLY 508.A O no hydrogen 2.738 N/A ALA 310.A N ALA 306.A O no hydrogen 3.414 N/A TYR 311.A N TYR 307.A O no hydrogen 3.082 N/A ALA 312.A N TYR 308.A O no hydrogen 2.818 N/A ILE 313.A N LEU 309.A O no hydrogen 2.985 N/A ILE 313.A N ALA 310.A O no hydrogen 3.262 N/A SER 314.A N ALA 310.A O no hydrogen 3.038 N/A SER 314.A OG TYR 311.A O no hydrogen 2.670 N/A LYS 315.A NZ VAL 168.A O no hydrogen 3.447 N/A VAL 316.A N ILE 313.A O no hydrogen 3.113 N/A ILE 317.A N ILE 313.A O no hydrogen 3.263 N/A LEU 319.A N VAL 316.A O no hydrogen 3.109 N/A TYR 320.A N VAL 316.A O no hydrogen 2.816 N/A LEU 321.A N ILE 317.A O no hydrogen 2.927 N/A ARG 324.A NE GLU 318.A OE2 no hydrogen 3.397 N/A ARG 324.A NH2 GLU 549.A OE2 no hydrogen 2.816 N/A ASP 327.A N VAL 170.A O no hydrogen 3.207 N/A ASP 330.A N ASP 328.A OD1 no hydrogen 3.129 N/A HIS 331.A N ASP 328.A O no hydrogen 3.408 N/A HIS 331.A N ASP 328.A OD1 no hydrogen 2.682 N/A TYR 332.A N THR 442.A OG1 no hydrogen 3.143 N/A TYR 332.A OH GLU 161.A OE2 no hydrogen 2.694 N/A ALA 333.A N HIS 331.A ND1 no hydrogen 3.078 N/A ASN 334.A N HIS 331.A O no hydrogen 3.173 N/A ASN 334.A ND2 ASP 328.A O no hydrogen 2.884 N/A LYS 335.A N TYR 332.A O no hydrogen 3.291 N/A LYS 335.A NZ GLU 161.A OE1 no hydrogen 3.009 N/A ARG 336.A N ASP 162.A O no hydrogen 2.866 N/A LEU 337.A N GLY 557.A O no hydrogen 2.849 N/A ARG 338.A N GLN 160.A O no hydrogen 2.878 N/A ALA 340.A N HIS 23.A ND1 no hydrogen 3.069 N/A LEU 343.A N LEU 339.A O no hydrogen 3.211 N/A PHE 344.A N ALA 340.A O no hydrogen 2.768 N/A SER 346.A N ASP 342.A O no hydrogen 3.258 N/A SER 346.A OG ASP 342.A O no hydrogen 3.162 N/A LEU 347.A N LEU 343.A O no hydrogen 3.430 N/A PHE 348.A N PHE 344.A O no hydrogen 3.332 N/A ARG 349.A N ALA 345.A O no hydrogen 2.882 N/A ARG 349.A NH1 SER 346.A OG no hydrogen 3.232 N/A ARG 349.A NH2 SER 346.A OG no hydrogen 3.305 N/A ALA 351.A N LEU 347.A O no hydrogen 3.248 N/A PHE 352.A N PHE 348.A O no hydrogen 2.958 N/A ALA 354.A N VAL 350.A O no hydrogen 3.057 N/A VAL 356.A N PHE 352.A O no hydrogen 3.010 N/A LYS 357.A N LYS 353.A O no hydrogen 3.134 N/A ASP 358.A N ALA 354.A O no hydrogen 3.081 N/A LEU 359.A N PHE 355.A O no hydrogen 3.032 N/A THR 360.A N VAL 356.A O no hydrogen 3.161 N/A THR 360.A OG1 GLU 44.A O no hydrogen 3.388 N/A THR 360.A OG1 VAL 356.A O no hydrogen 2.878 N/A TYR 361.A N LYS 357.A O no hydrogen 3.362 N/A GLN 362.A N ASP 358.A O no hydrogen 2.796 N/A GLN 362.A NE2 LEU 378.A O no hydrogen 3.186 N/A LEU 363.A N LEU 359.A O no hydrogen 2.701 N/A GLU 364.A N THR 360.A O no hydrogen 3.030 N/A LYS 367.A N LEU 363.A O no hydrogen 2.963 N/A LYS 367.A NZ LYS 372.A O no hydrogen 2.704 N/A ALA 377.A N ALA 374.A O no hydrogen 3.333 N/A LEU 378.A N LEU 375.A O no hydrogen 3.162 N/A VAL 379.A N LEU 375.A O no hydrogen 2.859 N/A THR 385.A OG1 PRO 381.A O no hydrogen 2.826 N/A GLU 386.A N ASP 382.A O no hydrogen 2.781 N/A ILE 388.A N THR 385.A O no hydrogen 3.216 N/A ARG 389.A N THR 385.A O no hydrogen 3.232 N/A ARG 389.A N GLU 386.A O no hydrogen 3.366 N/A HIS 390.A N GLU 386.A O no hydrogen 3.044 N/A LEU 392.A N ARG 389.A O no hydrogen 2.804 N/A TRP 397.A N ASN 396.A OD1 no hydrogen 2.681 N/A VAL 404.A N GLY 395.A O no hydrogen 2.660 N/A SER 405.A OG LEU 392.A O no hydrogen 2.963 N/A GLN 406.A N VAL 156.A O no hydrogen 3.036 N/A ASP 409.A N HIS 419.A ND1 no hydrogen 3.289 N/A ARG 410.A NH2 ASP 143.A OD2 no hydrogen 2.782 N/A THR 411.A OG1 ASP 409.A OD2 no hydrogen 2.959 N/A ASN 412.A ND2 ALA 657.A O no hydrogen 2.795 N/A ASN 412.A ND2 ALA 660.A O no hydrogen 3.102 N/A SER 415.A N ASN 412.A OD1 no hydrogen 2.825 N/A SER 415.A OG ASP 409.A O no hydrogen 3.145 N/A SER 415.A OG ASP 409.A OD2 no hydrogen 2.664 N/A LEU 417.A N TRP 413.A O no hydrogen 3.326 N/A SER 418.A N LEU 414.A O no hydrogen 2.990 N/A SER 418.A OG GLU 451.A OE1 no hydrogen 3.140 N/A SER 418.A OG GLU 451.A OE2 no hydrogen 3.486 N/A SER 418.A OG THR 635.A OG1 no hydrogen 3.390 N/A HIS 419.A N SER 415.A O no hydrogen 3.180 N/A LEU 420.A N MET 416.A O no hydrogen 3.225 N/A ARG 421.A N SER 418.A O no hydrogen 2.809 N/A ARG 421.A NH2 ALA 465.A O no hydrogen 2.932 N/A ARG 422.A N HIS 419.A O no hydrogen 3.265 N/A VAL 423.A N LYS 462.A O no hydrogen 3.098 N/A ILE 424.A N THR 159.A O no hydrogen 2.957 N/A SER 425.A N LEU 460.A O no hydrogen 2.886 N/A ASN 433.A N GLN 431.A O no hydrogen 2.687 N/A HIS 440.A NE2 ASP 328.A OD1 no hydrogen 3.166 N/A THR 442.A N HIS 440.A ND1 no hydrogen 3.223 N/A THR 442.A OG1 HIS 440.A ND1 no hydrogen 2.639 N/A GLN 443.A N HIS 440.A O no hydrogen 2.841 N/A TRP 444.A N GLY 441.A O no hydrogen 3.250 N/A ARG 446.A N GLN 443.A O no hydrogen 2.822 N/A ARG 446.A NE VAL 559.A O no hydrogen 2.911 N/A ARG 446.A NH1 THR 442.A O no hydrogen 2.793 N/A ARG 446.A NH1 GLU 605.A OE1 no hydrogen 2.765 N/A ARG 446.A NH2 LEU 600.A O no hydrogen 3.320 N/A ARG 446.A NH2 GLU 605.A OE1 no hydrogen 2.813 N/A MET 447.A N GLN 443.A O no hydrogen 3.048 N/A CYS 448.A N ASN 463.A O no hydrogen 3.280 N/A THR 452.A OG1 PHE 450.A O no hydrogen 2.895 N/A GLU 454.A N GLU 454.A OE1 no hydrogen 2.679 N/A SER 458.A N GLY 455.A O no hydrogen 3.037 N/A LYS 462.A NZ GLY 459.A O no hydrogen 2.530 N/A LEU 464.A N ARG 421.A O no hydrogen 2.845 N/A ALA 465.A N ARG 446.A O no hydrogen 3.071 N/A LEU 466.A N LEU 632.A O no hydrogen 3.083 N/A GLN 469.A N ARG 560.A O no hydrogen 3.358 N/A ALA 471.A N ARG 558.A O no hydrogen 2.725 N/A ILE 474.A N CYS 554.A O no hydrogen 2.933 N/A GLU 480.A N GLU 476.A O no hydrogen 2.729 N/A THR 482.A OG1 ILE 478.A O no hydrogen 2.585 N/A LEU 483.A N GLU 480.A O no hydrogen 3.223 N/A GLU 485.A N THR 482.A O no hydrogen 3.312 N/A MET 486.A N LEU 483.A O no hydrogen 2.853 N/A VAL 488.A N LEU 483.A O no hydrogen 3.388 N/A VAL 491.A N VAL 511.A O no hydrogen 3.304 N/A GLU 493.A N PRO 490.A O no hydrogen 3.219 N/A ILE 495.A N VAL 491.A O no hydrogen 3.294 N/A ARG 496.A NH2 GLU 492.A OE1 no hydrogen 2.811 N/A LYS 503.A N ASN 548.A O no hydrogen 3.136 N/A VAL 504.A N GLY 512.A O no hydrogen 2.947 N/A ILE 505.A N VAL 550.A O no hydrogen 2.867 N/A LEU 506.A N ARG 509.A O no hydrogen 2.748 N/A VAL 511.A N VAL 504.A O no hydrogen 2.851 N/A GLY 512.A N VAL 504.A O no hydrogen 3.446 N/A TYR 513.A N VAL 489.A O no hydrogen 3.015 N/A GLU 519.A N ASP 516.A OD1 no hydrogen 2.627 N/A ALA 521.A N GLY 517.A O no hydrogen 3.266 N/A LYS 522.A N GLU 518.A O no hydrogen 2.725 N/A LYS 523.A N GLU 519.A O no hydrogen 2.810 N/A LYS 523.A NZ TYR 514.A OH no hydrogen 3.459 N/A ARG 525.A N ALA 521.A O no hydrogen 3.161 N/A ARG 525.A NH2 VAL 539.A O no hydrogen 3.355 N/A GLU 526.A N LYS 522.A O no hydrogen 2.904 N/A ARG 527.A N LYS 523.A O no hydrogen 3.130 N/A ARG 528.A N ILE 524.A O no hydrogen 3.234 N/A ARG 528.A NE GLU 598.A OE2 no hydrogen 3.018 N/A ARG 528.A NH2 GLU 604.A OE2 no hydrogen 2.616 N/A ARG 529.A N ARG 525.A O no hydrogen 3.251 N/A ARG 529.A NE GLU 598.A OE2 no hydrogen 3.200 N/A LYS 530.A N GLU 526.A O no hydrogen 3.317 N/A GLU 532.A N ARG 527.A O no hydrogen 2.780 N/A ILE 533.A N ARG 527.A O no hydrogen 3.364 N/A GLU 536.A N SER 534.A OG no hydrogen 3.396 N/A ASN 538.A N ASN 553.A O no hydrogen 2.990 N/A ASN 538.A ND2 TYR 599.A O no hydrogen 3.222 N/A ASN 538.A ND2 GLU 604.A OE1 no hydrogen 3.167 N/A VAL 539.A N GLU 604.A OE1 no hydrogen 2.743 N/A GLY 540.A N HIS 551.A O no hydrogen 2.876 N/A HIS 541.A N ASN 607.A OD1 no hydrogen 2.844 N/A ILE 542.A N GLU 549.A O no hydrogen 2.973 N/A GLU 549.A N ILE 542.A O no hydrogen 3.176 N/A VAL 550.A N LYS 503.A O no hydrogen 2.961 N/A HIS 551.A N GLY 540.A O no hydrogen 2.794 N/A HIS 551.A NE2 GLU 549.A OE1 no hydrogen 2.812 N/A VAL 552.A N ILE 505.A O no hydrogen 2.717 N/A ASN 553.A N ASN 538.A O no hydrogen 2.883 N/A ASN 553.A ND2 ASP 601.A OD1 no hydrogen 3.329 N/A CYS 554.A N ASN 507.A OD1 no hydrogen 3.435 N/A CYS 554.A SG ILE 474.A O no hydrogen 3.978 N/A GLY 557.A N ALA 471.A O no hydrogen 3.031 N/A ARG 558.A NE ASP 555.A O no hydrogen 3.148 N/A ARG 558.A NE ASP 555.A OD2 no hydrogen 3.399 N/A ARG 558.A NH1 ASN 538.A OD1 no hydrogen 2.657 N/A ARG 558.A NH2 GLU 536.A O no hydrogen 3.465 N/A ARG 558.A NH2 ASP 555.A O no hydrogen 3.420 N/A ARG 560.A N GLN 469.A O no hydrogen 2.880 N/A ARG 560.A NE ASN 538.A OD1 no hydrogen 3.033 N/A ARG 560.A NH2 ASN 538.A OD1 no hydrogen 2.587 N/A ARG 561.A N LEU 600.A O no hydrogen 3.185 N/A ARG 561.A NE GLY 445.A O no hydrogen 2.886 N/A ARG 561.A NH2 GLY 445.A O no hydrogen 2.753 N/A ARG 561.A NH2 LEU 466.A O no hydrogen 2.763 N/A LEU 563.A N GLU 598.A O no hydrogen 2.985 N/A ILE 564.A N LEU 624.A O no hydrogen 2.996 N/A ILE 565.A N LYS 596.A O no hydrogen 2.663 N/A VAL 566.A N THR 622.A O no hydrogen 2.919 N/A GLY 569.A N SER 567.A O no hydrogen 2.755 N/A ARG 575.A N LEU 572.A O no hydrogen 3.195 N/A ASP 577.A N ARG 575.A O no hydrogen 2.805 N/A ILE 586.A N GLY 584.A O no hydrogen 2.693 N/A LEU 591.A N PHE 588.A O no hydrogen 2.944 N/A VAL 592.A N PHE 588.A O no hydrogen 3.111 N/A VAL 592.A N ASP 589.A O no hydrogen 2.907 N/A ARG 593.A N ASP 589.A O no hydrogen 2.763 N/A LYS 596.A NZ ILE 565.A O no hydrogen 3.025 N/A LYS 596.A NZ ASN 570.A O no hydrogen 3.454 N/A LYS 596.A NZ PRO 571.A O no hydrogen 3.066 N/A GLU 598.A N LEU 563.A O no hydrogen 2.888 N/A LEU 600.A N ARG 561.A O no hydrogen 2.973 N/A GLU 605.A N ASP 601.A O no hydrogen 3.059 N/A ASN 607.A N GLU 604.A O no hydrogen 3.194 N/A ASN 607.A ND2 HIS 541.A O no hydrogen 3.158 N/A ALA 611.A N HIS 623.A O no hydrogen 3.081 N/A ASP 616.A N GLU 613.A O no hydrogen 3.132 N/A HIS 621.A N PRO 619.A O no hydrogen 2.707 N/A HIS 621.A ND1 TYR 609.A O no hydrogen 3.267 N/A THR 622.A N TYR 609.A O no hydrogen 3.196 N/A LEU 624.A N ILE 564.A O no hydrogen 2.748 N/A GLU 625.A N ALA 611.A O no hydrogen 3.150 N/A ILE 631.A N SER 628.A O no hydrogen 3.269 N/A THR 635.A N GLU 451.A OE1 no hydrogen 3.468 N/A THR 635.A OG1 SER 418.A OG no hydrogen 3.390 N/A THR 635.A OG1 GLU 451.A OE1 no hydrogen 2.967 N/A SER 637.A N GLY 633.A O no hydrogen 3.130 N/A SER 637.A N ILE 634.A O no hydrogen 3.129 N/A SER 637.A OG GLY 633.A O no hydrogen 2.662 N/A ILE 638.A N THR 635.A O no hydrogen 3.185 N/A ILE 639.A N ALA 636.A O no hydrogen 3.427 N/A TYR 641.A N ALA 913.A O no hydrogen 3.170 N/A HIS 644.A N TYR 641.A O no hydrogen 3.237 N/A ASN 645.A N PRO 642.A O no hydrogen 3.427 N/A ASN 645.A ND2 ASN 650.A OD1 no hydrogen 3.112 N/A ASN 645.A ND2 HIS 853.A ND1 no hydrogen 3.285 N/A ASN 650.A N GLN 646.A O no hydrogen 3.369 N/A ASN 650.A ND2 PRO 642.A O no hydrogen 3.019 N/A THR 651.A N SER 647.A O no hydrogen 3.422 N/A THR 651.A OG1 SER 647.A O no hydrogen 2.970 N/A TYR 652.A N PRO 648.A O no hydrogen 3.053 N/A GLN 653.A N ARG 649.A O no hydrogen 3.476 N/A GLN 653.A NE2 GLN 962.A OE1 no hydrogen 3.175 N/A SER 654.A N ASN 650.A O no hydrogen 3.063 N/A SER 654.A OG ASN 650.A O no hydrogen 3.373 N/A ALA 655.A N TYR 652.A O no hydrogen 2.964 N/A MET 656.A N GLN 653.A O no hydrogen 3.019 N/A ALA 657.A N GLN 653.A O no hydrogen 2.857 N/A GLN 659.A N MET 656.A O no hydrogen 2.646 N/A ALA 660.A N ALA 657.A O no hydrogen 3.445 N/A LEU 661.A N LYS 963.A O no hydrogen 2.916 N/A TYR 664.A OH ASP 673.A OD2 no hydrogen 2.942 N/A ALA 666.A N ASP 140.A OD1 no hydrogen 2.836 N/A ASN 667.A ND2 GLY 138.A O no hydrogen 3.069 N/A LEU 670.A N ASN 667.A O no hydrogen 3.120 N/A ARG 671.A N TYR 668.A O no hydrogen 3.351 N/A ALA 676.A N PHE 739.A O no hydrogen 3.108 N/A HIS 680.A N ARG 735.A O no hydrogen 3.030 N/A HIS 680.A NE2 THR 737.A OG1 no hydrogen 2.673 N/A GLN 683.A N GLY 703.A O no hydrogen 3.088 N/A LEU 686.A N ASN 705.A OD1 no hydrogen 2.956 N/A VAL 687.A N ILE 910.A O no hydrogen 3.161 N/A GLN 688.A N VAL 911.A O no hydrogen 3.354 N/A THR 689.A OG1 SER 637.A O no hydrogen 3.442 N/A THR 689.A OG1 ILE 639.A O no hydrogen 3.308 N/A ARG 690.A N THR 914.A OG1 no hydrogen 3.014 N/A ARG 690.A NH2 ASP 4.A OD2 no hydrogen 3.123 N/A LEU 692.A N THR 689.A O no hydrogen 3.120 N/A ASP 693.A N ARG 690.A O no hydrogen 3.318 N/A ILE 695.A N ALA 691.A O no hydrogen 3.113 N/A TYR 697.A OH TYR 960.A OH no hydrogen 2.758 N/A THR 698.A OG1 LEU 692.A O no hydrogen 2.666 N/A ASN 699.A N GLY 696.A O no hydrogen 3.132 N/A ARG 700.A N GLY 696.A O no hydrogen 3.145 N/A ALA 702.A N TYR 697.A OH no hydrogen 3.193 N/A ALA 702.A N TYR 960.A OH no hydrogen 3.381 N/A ASN 704.A ND2 TYR 681.A O no hydrogen 3.136 N/A ASN 705.A N GLN 683.A OE1 no hydrogen 3.040 N/A ASN 705.A ND2 GLN 683.A OE1 no hydrogen 3.355 N/A ASN 705.A ND2 ARG 684.A O no hydrogen 2.568 N/A ALA 706.A N VAL 959.A O no hydrogen 3.107 N/A LEU 708.A N GLY 957.A O no hydrogen 2.692 N/A ALA 709.A N VAL 879.A O no hydrogen 3.030 N/A VAL 710.A N TYR 955.A O no hydrogen 3.160 N/A ASN 717.A ND2 PHE 713.A O no hydrogen 3.229 N/A SER 721.A OG TYR 716.A O no hydrogen 3.080 N/A SER 721.A OG VAL 858.A O no hydrogen 3.073 N/A ILE 722.A N VAL 858.A O no hydrogen 2.844 N/A MET 724.A N MET 861.A O no hydrogen 3.179 N/A ASN 725.A N ASP 878.A O no hydrogen 3.087 N/A ASN 725.A ND2 PRO 877.A O no hydrogen 3.299 N/A ARG 726.A N ILE 863.A O no hydrogen 2.964 N/A SER 727.A N ASN 725.A OD1 no hydrogen 2.812 N/A SER 728.A N ASN 725.A O no hydrogen 3.262 N/A SER 728.A N ASN 725.A OD1 no hydrogen 3.281 N/A SER 728.A OG ASP 878.A OD1 no hydrogen 3.044 N/A VAL 729.A N ASN 725.A O no hydrogen 3.239 N/A GLU 730.A N ARG 726.A O no hydrogen 3.036 N/A ARG 731.A NH1 GLN 865.A OE1 no hydrogen 2.799 N/A ARG 731.A NH2 GLN 865.A OE1 no hydrogen 3.189 N/A GLY 732.A N VAL 729.A O no hydrogen 3.199 N/A MET 733.A N SER 728.A O no hydrogen 3.110 N/A TYR 734.A OH TYR 961.A O no hydrogen 2.775 N/A SER 736.A N ARG 841.A O no hydrogen 3.113 N/A THR 737.A N LEU 678.A O no hydrogen 3.111 N/A THR 737.A OG1 HIS 680.A NE2 no hydrogen 2.673 N/A PHE 738.A N ASP 839.A O no hydrogen 3.106 N/A PHE 739.A N ALA 676.A O no hydrogen 2.813 N/A ARG 740.A N VAL 837.A O no hydrogen 3.037 N/A ARG 740.A NH1 GLU 814.A OE2 no hydrogen 2.495 N/A TYR 742.A N VAL 835.A O no hydrogen 2.769 N/A THR 744.A N VAL 833.A O no hydrogen 3.155 N/A LYS 748.A NZ ASP 755.A O no hydrogen 2.714 N/A ILE 757.A N GLU 746.A OE2 no hydrogen 3.062 N/A LYS 768.A N TYR 773.A OH no hydrogen 3.344 N/A ARG 774.A N GLU 771.A O no hydrogen 3.460 N/A ARG 774.A NE ARG 774.A O no hydrogen 2.677 N/A LEU 776.A N TYR 773.A O no hydrogen 3.398 N/A GLU 777.A N VAL 781.A O no hydrogen 3.093 N/A GLY 780.A N GLU 777.A O no hydrogen 3.259 N/A VAL 781.A N ASN 779.A OD1 no hydrogen 2.976 N/A VAL 782.A N LEU 794.A O no hydrogen 3.201 N/A VAL 788.A N GLY 816.A O no hydrogen 2.856 N/A ASP 792.A N LYS 789.A O no hydrogen 3.304 N/A VAL 793.A N TYR 772.A O no hydrogen 3.091 N/A LEU 794.A N ILE 808.A O no hydrogen 2.953 N/A ILE 795.A N ILE 808.A O no hydrogen 3.353 N/A GLY 796.A N GLY 780.A O no hydrogen 2.885 N/A VAL 798.A N LYS 756.A O no hydrogen 3.427 N/A SER 799.A OG ASP 805.A O no hydrogen 3.504 N/A ARG 804.A N SER 799.A O no hydrogen 2.794 N/A ARG 804.A NH1 PRO 800.A O no hydrogen 2.777 N/A SER 807.A N ASP 805.A OD2 no hydrogen 3.007 N/A SER 807.A OG ASP 805.A OD2 no hydrogen 2.695 N/A ILE 808.A N ILE 795.A O no hydrogen 2.813 N/A THR 810.A N ASP 792.A O no hydrogen 3.064 N/A THR 810.A OG1 ASP 792.A O no hydrogen 2.709 N/A ARG 811.A N TYR 742.A OH no hydrogen 3.433 N/A GLU 814.A N ARG 811.A O no hydrogen 3.200 N/A ILE 817.A N ARG 838.A O no hydrogen 2.689 N/A VAL 818.A N VAL 786.A O no hydrogen 3.170 N/A ASP 819.A N ARG 836.A O no hydrogen 2.967 N/A LEU 820.A N ARG 836.A O no hydrogen 3.463 N/A LEU 822.A N LYS 834.A O no hydrogen 2.609 N/A THR 824.A N LEU 832.A O no hydrogen 2.852 N/A THR 826.A N ASN 830.A O no hydrogen 3.021 N/A THR 826.A OG1 GLU 745.A OE2 no hydrogen 3.382 N/A LEU 832.A N THR 824.A O no hydrogen 3.275 N/A VAL 833.A N THR 744.A O no hydrogen 3.211 N/A LYS 834.A N LEU 822.A O no hydrogen 2.738 N/A LYS 834.A NZ LEU 83.A O no hydrogen 3.461 N/A LYS 834.A NZ ASN 85.A OD1 no hydrogen 2.926 N/A VAL 835.A N TYR 742.A O no hydrogen 2.704 N/A ARG 836.A N LEU 820.A O no hydrogen 2.911 N/A ARG 836.A NH1 TYR 668.A O no hydrogen 3.413 N/A ARG 836.A NH2 TYR 668.A O no hydrogen 3.144 N/A VAL 837.A N ARG 740.A O no hydrogen 2.867 N/A ARG 838.A N ILE 817.A O no hydrogen 2.708 N/A ARG 838.A NH2 GLU 785.A OE2 no hydrogen 3.299 N/A ASP 839.A N PHE 738.A O no hydrogen 3.008 N/A ARG 841.A N SER 736.A O no hydrogen 3.016 N/A ARG 841.A NH1 ASP 839.A OD2 no hydrogen 3.146 N/A ARG 841.A NH2 ASP 970.A OD2 no hydrogen 2.771 N/A SER 844.A N ASP 847.A OD1 no hydrogen 3.293 N/A GLY 846.A N ILE 859.A O no hydrogen 3.102 N/A ASP 847.A N SER 844.A O no hydrogen 2.974 N/A PHE 849.A N GLY 857.A O no hydrogen 2.659 N/A ALA 850.A N GLN 962.A O no hydrogen 2.949 N/A SER 851.A N GLN 855.A O no hydrogen 3.430 N/A SER 851.A OG GLN 894.A OE1 no hydrogen 3.527 N/A ARG 852.A NH1 GLU 897.A OE2 no hydrogen 3.221 N/A HIS 853.A N SER 851.A OG no hydrogen 3.075 N/A HIS 853.A NE2 GLU 897.A OE1 no hydrogen 3.011 N/A GLN 855.A NE2 ASP 720.A OD1 no hydrogen 3.368 N/A GLN 855.A NE2 ALA 885.A O no hydrogen 2.819 N/A ILE 859.A N ASP 847.A O no hydrogen 3.089 N/A GLY 860.A N ILE 722.A O no hydrogen 2.533 N/A ILE 863.A N MET 724.A O no hydrogen 3.194 N/A GLN 865.A N SER 727.A OG no hydrogen 3.269 N/A MET 868.A N GLN 865.A O no hydrogen 3.163 N/A TYR 870.A N TYR 942.A O no hydrogen 2.777 N/A THR 871.A N GLY 874.A O no hydrogen 3.189 N/A THR 871.A N VAL 875.A O no hydrogen 3.293 N/A THR 871.A OG1 VAL 875.A O no hydrogen 2.627 N/A ASP 878.A N ILE 707.A O no hydrogen 3.035 N/A VAL 879.A N ILE 707.A O no hydrogen 3.069 N/A ILE 880.A N ILE 723.A O no hydrogen 3.065 N/A ASN 882.A ND2 ASN 717.A OD1 no hydrogen 3.248 N/A HIS 884.A N ASN 882.A OD1 no hydrogen 3.248 N/A HIS 884.A ND1 ASN 882.A OD1 no hydrogen 2.804 N/A ALA 885.A N ASN 882.A O no hydrogen 2.829 N/A SER 888.A OG HIS 884.A O no hydrogen 3.390 N/A MET 890.A N LEU 886.A O no hydrogen 2.755 N/A THR 891.A OG1 GLN 855.A OE1 no hydrogen 3.089 N/A GLY 893.A N ASN 645.A OD1 no hydrogen 3.029 N/A GLN 894.A N THR 891.A O no hydrogen 3.182 N/A MET 896.A N LEU 892.A O no hydrogen 2.843 N/A GLU 897.A N GLY 893.A O no hydrogen 2.893 N/A GLY 898.A N GLN 894.A O no hydrogen 3.442 N/A ILE 899.A N ILE 895.A O no hydrogen 3.476 N/A ALA 900.A N MET 896.A O no hydrogen 3.055 N/A GLY 901.A N GLU 897.A O no hydrogen 2.700 N/A LYS 902.A N GLY 898.A O no hydrogen 2.856 N/A LYS 902.A NZ GLU 939.A OE1 no hydrogen 2.777 N/A LYS 902.A NZ PHE 956.A O no hydrogen 3.320 N/A TYR 903.A N ILE 899.A O no hydrogen 3.076 N/A ALA 904.A N ALA 900.A O no hydrogen 2.825 N/A ALA 905.A N GLY 901.A O no hydrogen 3.014 N/A LEU 906.A N LYS 902.A O no hydrogen 3.152 N/A LEU 906.A N TYR 903.A O no hydrogen 3.246 N/A SER 907.A N TYR 903.A O no hydrogen 2.875 N/A SER 907.A OG TYR 903.A O no hydrogen 2.713 N/A SER 907.A OG ASN 909.A OD1 no hydrogen 3.052 N/A GLY 908.A N ALA 904.A O no hydrogen 3.134 N/A ASN 909.A N SER 907.A OG no hydrogen 3.188 N/A ALA 913.A N GLN 688.A O no hydrogen 2.707 N/A THR 914.A OG1 ASP 912.A OD2 no hydrogen 3.309 N/A GLN 923.A N PRO 920.A O no hydrogen 3.115 N/A GLN 925.A N ILE 921.A O no hydrogen 2.678 N/A GLN 925.A NE2 PRO 935.A O no hydrogen 3.202 N/A ASN 926.A N GLU 922.A O no hydrogen 3.087 N/A ILE 928.A N LEU 924.A O no hydrogen 3.061 N/A LYS 930.A NZ GLU 927.A OE2 no hydrogen 2.908 N/A TYR 931.A N GLU 927.A O no hydrogen 3.362 N/A GLY 932.A N LEU 929.A O no hydrogen 3.083 N/A TYR 933.A N ILE 928.A O no hydrogen 3.343 N/A ALA 937.A N LEU 934.A O no hydrogen 3.055 N/A THR 938.A OG1 ASP 936.A OD1 no hydrogen 2.657 N/A TYR 942.A N TYR 870.A O no hydrogen 2.797 N/A ASP 943.A N GLN 948.A O no hydrogen 2.801 N/A THR 946.A N ASP 943.A O no hydrogen 3.129 N/A GLY 947.A N ASP 943.A O no hydrogen 2.743 N/A LYS 949.A NZ ILE 950.A O no hydrogen 3.356 N/A ILE 950.A N THR 941.A O no hydrogen 3.044 N/A ARG 953.A NE THR 938.A O no hydrogen 3.176 N/A ARG 953.A NH2 THR 938.A OG1 no hydrogen 3.104 N/A ILE 954.A N GLU 939.A O no hydrogen 3.200 N/A TYR 955.A OH ILE 895.A O no hydrogen 2.516 N/A PHE 956.A N ALA 937.A O no hydrogen 3.006 N/A GLY 957.A N LEU 708.A O no hydrogen 2.801 N/A VAL 958.A N GLY 898.A O no hydrogen 3.125 N/A VAL 959.A N ALA 706.A O no hydrogen 2.856 N/A TYR 960.A N GLU 897.A OE2 no hydrogen 3.095 N/A TYR 960.A OH TYR 697.A OH no hydrogen 2.758 N/A TYR 960.A OH GLY 703.A O no hydrogen 3.151 N/A TYR 961.A N ASN 704.A O no hydrogen 3.064 N/A GLN 962.A N ALA 850.A O no hydrogen 2.913 N/A LYS 963.A NZ TYR 734.A O no hydrogen 3.023 N/A LEU 964.A N LYS 848.A O no hydrogen 2.877 N/A HIS 965.A N GLN 659.A O no hydrogen 3.262 N/A HIS 966.A NE2 GLN 659.A OE1 no hydrogen 2.688 N/A ASP 970.A N MET 967.A O no hydrogen 3.015 N/A LYS 971.A N VAL 968.A O no hydrogen 3.068 N/A ILE 972.A N VAL 968.A O no hydrogen 2.946 N/A ARG 975.A NH2 GLU 994.A O no hydrogen 2.416 N/A GLN 981.A N GLN 986.A O no hydrogen 3.201 N/A THR 984.A OG1 GLN 981.A OE1 no hydrogen 2.634 N/A ARG 985.A N GLN 981.A O no hydrogen 2.891 N/A GLN 986.A NE2 ASP 1025.A OD1 no hydrogen 2.806 N/A THR 988.A OG1 PRO 979.A O no hydrogen 3.469 N/A THR 988.A OG1 ARG 993.A O no hydrogen 3.198 N/A THR 988.A OG1 GLU 994.A O no hydrogen 2.585 N/A ARG 991.A NH1 ALA 969.A O no hydrogen 3.205 N/A ARG 991.A NH1 ILE 972.A O no hydrogen 2.896 N/A ARG 991.A NH2 ALA 969.A O no hydrogen 3.512 N/A GLU 994.A N ARG 991.A O no hydrogen 3.172 N/A GLU 1001.A N GLU 1001.A OE1 no hydrogen 2.777 N/A GLU 1003.A N GLY 1000.A O no hydrogen 3.026 N/A ARG 1004.A N GLY 1000.A O no hydrogen 3.105 N/A ASP 1005.A N GLU 1001.A O no hydrogen 2.839 N/A CYS 1006.A N GLU 1003.A O no hydrogen 3.157 N/A CYS 1006.A SG MET 1002.A O no hydrogen 3.424 N/A ILE 1008.A N ARG 1004.A O no hydrogen 3.377 N/A GLY 1009.A N ASP 1005.A O no hydrogen 3.150 N/A PHE 1010.A N CYS 1006.A O no hydrogen 3.260 N/A GLY 1011.A N ILE 1008.A O no hydrogen 2.778 N/A LYS 1017.A N ALA 1013.A O no hydrogen 3.333 N/A LYS 1017.A NZ ASP 1022.A OD1 no hydrogen 2.662 N/A LYS 1017.A NZ ASP 1022.A OD2 no hydrogen 3.311 N/A ASP 1018.A N MET 1014.A O no hydrogen 3.086 N/A ARG 1019.A N LEU 1016.A O no hydrogen 3.037 N/A LEU 1020.A N LYS 1017.A O no hydrogen 3.225 N/A ASP 1022.A N LYS 1017.A O no hydrogen 3.165 N/A ASN 1023.A ND2 ASP 1018.A O no hydrogen 2.628 N/A THR 1027.A N VAL 1064.A O no hydrogen 3.023 N/A THR 1027.A OG1 ASP 1025.A O no hydrogen 3.093 N/A ILE 1029.A N VAL 1062.A O no hydrogen 3.005 N/A VAL 1031.A N PHE 1060.A O no hydrogen 2.958 N/A CYS 1032.A N GLY 1036.A O no hydrogen 2.724 N/A CYS 1032.A SG SER 1057.A O no hydrogen 3.813 N/A CYS 1032.A SG SER 1057.A OG no hydrogen 2.832 N/A CYS 1035.A SG TYR 1037.A O no hydrogen 3.482 N/A LYS 1047.A NZ ASP 1055.A OD1 no hydrogen 2.913 N/A LYS 1047.A NZ ASN 1058.A OD1 no hydrogen 3.507 N/A HIS 1053.A N CYS 1050.A O no hydrogen 2.632 N/A PHE 1060.A N VAL 1031.A O no hydrogen 3.132 N/A VAL 1062.A N ILE 1029.A O no hydrogen 3.072 N/A VAL 1064.A N THR 1027.A O no hydrogen 2.932 N/A TYR 1066.A N ASP 1025.A O no hydrogen 2.900 N/A ALA 1067.A N ASP 1025.A OD1 no hydrogen 3.257 N/A PHE 1068.A N SER 1065.A O no hydrogen 2.943 N/A LYS 1069.A N SER 1065.A O no hydrogen 3.284 N/A LEU 1070.A N TYR 1066.A O no hydrogen 3.051 N/A LEU 1071.A N ALA 1067.A O no hydrogen 3.402 N/A ILE 1072.A N PHE 1068.A O no hydrogen 3.144 N/A GLN 1073.A N LYS 1069.A O no hydrogen 3.260 N/A GLU 1074.A N LEU 1070.A O no hydrogen 2.687 N/A LEU 1075.A N LEU 1071.A O no hydrogen 2.958 N/A MET 1076.A N ILE 1072.A O no hydrogen 2.938 N/A SER 1077.A N GLN 1073.A O no hydrogen 3.252 N/A SER 1077.A OG GLN 1073.A O no hydrogen 3.242 N/A SER 1077.A OG GLU 1074.A O no hydrogen 2.881 N/A MET 1078.A N LEU 1075.A O no hydrogen 3.030 N/A ILE 1079.A N MET 1076.A O no hydrogen 3.163 N/A ILE 1080.A N LEU 1075.A O no hydrogen 2.979 N/A