Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3aoh_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 4.A N ARG 894.A O no hydrogen 3.348 N/A PHE 6.A N ILE 896.A O no hydrogen 3.159 N/A ARG 8.A N ASP 901.A OD1 no hydrogen 2.696 N/A ILE 9.A N ASP 901.A OD1 no hydrogen 3.306 N/A GLU 20.A N PRO 17.A O no hydrogen 2.645 N/A GLN 22.A N THR 19.A O no hydrogen 2.847 N/A GLN 22.A NE2 ILE 130.A O no hydrogen 2.652 N/A VAL 23.A N THR 19.A O no hydrogen 3.023 N/A GLU 24.A N GLU 20.A O no hydrogen 3.077 N/A TYR 26.A N GLN 22.A O no hydrogen 3.301 N/A TYR 26.A OH PRO 113.A O no hydrogen 2.987 N/A ARG 27.A N VAL 23.A O no hydrogen 3.300 N/A ARG 27.A NH1 GLU 24.A OE2 no hydrogen 3.438 N/A ARG 28.A N GLU 24.A O no hydrogen 2.881 N/A ARG 28.A NH1 GLU 457.A OE1 no hydrogen 3.527 N/A LEU 30.A N TYR 26.A O no hydrogen 2.866 N/A GLN 31.A NE2 GLN 31.A O no hydrogen 2.522 N/A GLN 31.A NE2 PRO 35.A O no hydrogen 3.660 N/A LYS 38.A N PRO 35.A O no hydrogen 3.022 N/A ILE 44.A N ALA 29.A O no hydrogen 3.057 N/A ALA 47.A N GLY 43.A O no hydrogen 2.726 N/A PHE 48.A N ILE 44.A O no hydrogen 2.746 N/A ARG 49.A N GLN 45.A O no hydrogen 2.810 N/A GLU 50.A N ALA 46.A O no hydrogen 2.782 N/A THR 51.A OG1 ALA 47.A O no hydrogen 3.542 N/A PHE 52.A N ARG 49.A O no hydrogen 3.483 N/A ILE 54.A N LEU 60.A O no hydrogen 3.187 N/A VAL 59.A N ILE 95.A O no hydrogen 3.388 N/A LEU 60.A N ILE 54.A O no hydrogen 3.473 N/A ASP 61.A N GLN 93.A O no hydrogen 2.910 N/A LEU 63.A N ARG 91.A O no hydrogen 3.098 N/A TYR 65.A OH GLN 31.A O no hydrogen 2.357 N/A ARG 66.A N TYR 89.A O no hydrogen 3.377 N/A CYS 77.A N PRO 73.A O no hydrogen 3.082 N/A CYS 77.A SG PRO 73.A O no hydrogen 2.928 N/A ARG 78.A N GLN 74.A O no hydrogen 3.283 N/A ARG 78.A N ASP 75.A O no hydrogen 2.658 N/A ARG 78.A NE ASP 127.A OD2 no hydrogen 2.248 N/A ARG 78.A NH2 ASP 127.A OD1 no hydrogen 2.736 N/A GLU 79.A N ASP 75.A O no hydrogen 2.611 N/A LYS 80.A N GLU 76.A O no hydrogen 2.841 N/A LYS 80.A NZ GLU 76.A OE1 no hydrogen 3.092 N/A ASP 81.A N ARG 78.A O no hydrogen 3.511 N/A LEU 82.A N CYS 77.A O no hydrogen 2.637 N/A TYR 84.A N ILE 122.A O no hydrogen 3.120 N/A ALA 86.A N ILE 112.A O no hydrogen 2.731 N/A LEU 88.A N GLY 110.A O no hydrogen 3.313 N/A TYR 89.A N ARG 66.A O no hydrogen 3.246 N/A ARG 91.A N GLU 64.A O no hydrogen 2.996 N/A GLN 93.A N ASP 61.A O no hydrogen 3.126 N/A LEU 94.A N ILE 102.A O no hydrogen 3.372 N/A ILE 95.A N VAL 59.A O no hydrogen 2.487 N/A GLU 106.A N GLU 104.A OE1 no hydrogen 3.289 N/A LEU 109.A N LEU 88.A O no hydrogen 3.459 N/A HIS 111.A N GLU 373.A OE1 no hydrogen 2.862 N/A HIS 111.A ND1 GLY 110.A O no hydrogen 2.914 N/A LEU 114.A N TYR 84.A O no hydrogen 2.994 N/A THR 116.A N SER 120.A O no hydrogen 2.851 N/A THR 116.A OG1 SER 120.A O no hydrogen 2.289 N/A ASP 118.A N ASP 118.A OD1 no hydrogen 2.600 N/A SER 120.A OG PHE 121.A O no hydrogen 3.300 N/A SER 120.A OG ARG 128.A O no hydrogen 2.943 N/A PHE 121.A N ARG 128.A O no hydrogen 3.071 N/A ILE 123.A N ALA 126.A O no hydrogen 3.087 N/A ARG 128.A N PHE 121.A O no hydrogen 2.754 N/A ARG 128.A NH1 PHE 380.A O no hydrogen 2.677 N/A VAL 129.A N GLN 387.A O no hydrogen 2.960 N/A GLN 133.A NE2 LEU 407.A O no hydrogen 3.442 N/A ILE 134.A N SER 405.A O no hydrogen 3.340 N/A SER 137.A N ASN 324.A O no hydrogen 3.023 N/A SER 137.A OG TYR 141.A OH no hydrogen 2.614 N/A TYR 141.A N SER 155.A O no hydrogen 3.156 N/A TYR 141.A OH SER 137.A O no hydrogen 2.352 N/A THR 143.A N ILE 153.A O no hydrogen 3.118 N/A ARG 148.A NH1 GLU 171.A OE2 no hydrogen 3.540 N/A ILE 153.A N THR 143.A O no hydrogen 2.971 N/A ALA 154.A N LEU 168.A O no hydrogen 2.922 N/A SER 155.A N TYR 141.A O no hydrogen 2.804 N/A ILE 156.A N ILE 166.A O no hydrogen 2.650 N/A ILE 157.A N GLY 139.A O no hydrogen 2.990 N/A GLY 163.A N PRO 160.A O no hydrogen 3.256 N/A ILE 166.A N ILE 156.A O no hydrogen 3.292 N/A ASP 167.A N LYS 179.A O no hydrogen 3.143 N/A LEU 168.A N ALA 154.A O no hydrogen 2.562 N/A GLU 169.A N SER 177.A O no hydrogen 2.536 N/A GLU 171.A N VAL 175.A O no hydrogen 3.084 N/A ASN 173.A N GLU 171.A OE2 no hydrogen 2.917 N/A GLY 174.A N GLU 171.A O no hydrogen 3.068 N/A VAL 175.A N GLU 171.A O no hydrogen 3.149 N/A SER 177.A N GLU 169.A O no hydrogen 2.449 N/A LYS 179.A N ASP 167.A O no hydrogen 2.827 N/A ARG 183.A N VAL 180.A O no hydrogen 3.526 N/A PHE 185.A N MET 178.A O no hydrogen 3.278 N/A LEU 191.A N LEU 187.A O no hydrogen 3.419 N/A ARG 192.A N VAL 188.A O no hydrogen 2.871 N/A VAL 193.A N LEU 189.A O no hydrogen 3.129 N/A LEU 194.A N LEU 191.A O no hydrogen 3.002 N/A GLY 195.A N LEU 191.A O no hydrogen 3.300 N/A GLY 195.A N ARG 192.A O no hydrogen 2.827 N/A GLN 198.A NE2 GLU 218.A O no hydrogen 3.378 N/A THR 200.A OG1 GLU 204.A OE1 no hydrogen 3.206 N/A LEU 201.A N ASP 197.A O no hydrogen 2.904 N/A ALA 202.A N GLN 198.A O no hydrogen 3.041 N/A ARG 203.A N GLU 199.A O no hydrogen 3.148 N/A GLU 204.A N THR 200.A O no hydrogen 3.131 N/A LEU 205.A N LEU 201.A O no hydrogen 2.845 N/A GLY 206.A N ALA 202.A O no hydrogen 2.320 N/A VAL 212.A N GLY 209.A O no hydrogen 3.193 N/A GLN 213.A N GLU 210.A O no hydrogen 2.728 N/A GLY 214.A N LEU 211.A O no hydrogen 2.396 N/A LEU 215.A N VAL 212.A O no hydrogen 2.522 N/A MET 216.A N VAL 212.A O no hydrogen 2.977 N/A PHE 221.A N GLU 218.A OE1 no hydrogen 3.127 N/A ARG 224.A N PHE 221.A O no hydrogen 3.356 N/A ALA 228.A N PRO 225.A O no hydrogen 2.616 N/A LEU 229.A N GLU 226.A O no hydrogen 3.245 N/A ARG 231.A N GLU 227.A O no hydrogen 2.806 N/A LEU 232.A N ALA 228.A O no hydrogen 2.777 N/A PHE 233.A N ILE 230.A O no hydrogen 3.207 N/A THR 234.A N ILE 230.A O no hydrogen 3.259 N/A THR 234.A OG1 ILE 230.A O no hydrogen 3.086 N/A THR 234.A OG1 ARG 231.A O no hydrogen 3.219 N/A LEU 235.A N ARG 231.A O no hydrogen 3.344 N/A LEU 236.A N PHE 233.A O no hydrogen 2.646 N/A LYS 246.A N ARG 244.A O no hydrogen 2.104 N/A TYR 250.A N LYS 246.A O no hydrogen 2.558 N/A VAL 251.A N ALA 247.A O no hydrogen 2.599 N/A TYR 252.A N ALA 249.A O no hydrogen 3.065 N/A GLY 253.A N TYR 250.A O no hydrogen 3.053 N/A ALA 266.A N ASP 262.A O no hydrogen 3.371 N/A ARG 268.A NH1 GLY 264.A O no hydrogen 3.537 N/A TYR 269.A OH THR 483.A OG1 no hydrogen 3.199 N/A LYS 270.A NZ PRO 138.A O no hydrogen 2.260 N/A LYS 270.A NZ ALA 266.A O no hydrogen 2.379 N/A ALA 271.A N ARG 268.A O no hydrogen 2.835 N/A GLU 272.A N ARG 268.A O no hydrogen 2.924 N/A LYS 274.A NZ ASN 324.A OD1 no hydrogen 3.121 N/A LEU 275.A N ALA 271.A O no hydrogen 2.988 N/A ARG 282.A NE ARG 260.A O no hydrogen 3.400 N/A THR 283.A OG1 ARG 259.A O no hydrogen 2.829 N/A ALA 285.A N THR 283.A O no hydrogen 2.144 N/A LYS 293.A NZ SER 280.A OG no hydrogen 2.703 N/A THR 300.A N VAL 296.A O no hydrogen 3.184 N/A THR 300.A OG1 VAL 296.A O no hydrogen 2.807 N/A THR 300.A OG1 PHE 297.A O no hydrogen 2.420 N/A ARG 302.A N LEU 298.A O no hydrogen 2.635 N/A TYR 303.A N PRO 299.A O no hydrogen 2.702 N/A LEU 304.A N THR 300.A O no hydrogen 3.206 N/A PHE 305.A N LEU 301.A O no hydrogen 2.869 N/A LEU 307.A N TYR 303.A O no hydrogen 2.836 N/A THR 308.A N LEU 304.A O no hydrogen 3.050 N/A THR 308.A OG1 LEU 304.A O no hydrogen 2.923 N/A ALA 309.A N ALA 306.A O no hydrogen 2.976 N/A GLU 315.A N GLY 313.A O no hydrogen 3.013 N/A ASP 317.A N PHE 142.A O no hydrogen 3.194 N/A HIS 321.A N ASP 318.A O no hydrogen 3.142 N/A HIS 321.A NE2 ASP 486.A OD1 no hydrogen 3.109 N/A HIS 321.A NE2 ASP 486.A OD2 no hydrogen 3.351 N/A GLY 323.A N HIS 321.A ND1 no hydrogen 3.444 N/A ASN 324.A N HIS 321.A O no hydrogen 2.609 N/A ASN 324.A ND2 ASP 318.A O no hydrogen 3.580 N/A ARG 325.A N LEU 322.A O no hydrogen 3.235 N/A ARG 326.A N HIS 135.A O no hydrogen 3.294 N/A ILE 327.A N GLY 459.A O no hydrogen 3.236 N/A ARG 328.A N GLN 133.A O no hydrogen 2.568 N/A ARG 328.A NE GLU 332.A OE1 no hydrogen 3.553 N/A ARG 328.A NH1 GLN 133.A OE1 no hydrogen 2.927 N/A GLY 331.A N SER 25.A OG no hydrogen 2.571 N/A LEU 333.A N THR 329.A O no hydrogen 3.015 N/A MET 334.A N VAL 330.A O no hydrogen 2.774 N/A THR 335.A N GLY 331.A O no hydrogen 2.720 N/A ASP 336.A N GLU 332.A O no hydrogen 2.713 N/A GLN 337.A N LEU 333.A O no hydrogen 3.250 N/A PHE 338.A N MET 334.A O no hydrogen 2.916 N/A ARG 339.A N THR 335.A O no hydrogen 3.119 N/A VAL 340.A N ASP 336.A O no hydrogen 3.246 N/A GLY 341.A N GLN 337.A O no hydrogen 2.836 N/A LEU 342.A N PHE 338.A O no hydrogen 2.700 N/A ALA 343.A N ARG 339.A O no hydrogen 2.943 N/A ARG 344.A N VAL 340.A O no hydrogen 3.039 N/A LEU 345.A N GLY 341.A O no hydrogen 2.819 N/A ALA 346.A N LEU 342.A O no hydrogen 2.834 N/A ARG 347.A N ALA 343.A O no hydrogen 2.808 N/A VAL 349.A N LEU 345.A O no hydrogen 3.189 N/A ARG 350.A NH2 GLU 55.A O no hydrogen 3.496 N/A ARG 352.A N GLY 348.A O no hydrogen 3.132 N/A ARG 352.A NE LYS 365.A O no hydrogen 3.083 N/A MET 353.A N ARG 350.A O no hydrogen 3.052 N/A MET 355.A N GLU 351.A O no hydrogen 3.409 N/A VAL 367.A N PRO 363.A O no hydrogen 2.866 N/A SER 369.A OG PHE 108.A O no hydrogen 2.720 N/A GLU 373.A N SER 369.A O no hydrogen 3.253 N/A ALA 374.A N ARG 370.A O no hydrogen 3.348 N/A ALA 375.A N PRO 371.A O no hydrogen 2.909 N/A ILE 376.A N LEU 372.A O no hydrogen 3.138 N/A ARG 377.A N GLU 373.A O no hydrogen 2.712 N/A GLU 378.A N ALA 374.A O no hydrogen 2.808 N/A PHE 379.A N ALA 375.A O no hydrogen 3.170 N/A PHE 380.A N ILE 376.A O no hydrogen 3.221 N/A SER 381.A N ARG 377.A O no hydrogen 3.029 N/A SER 381.A OG ARG 377.A O no hydrogen 2.328 N/A ARG 382.A N GLU 378.A O no hydrogen 2.553 N/A ARG 382.A N PHE 379.A O no hydrogen 3.280 N/A SER 383.A N GLU 378.A O no hydrogen 3.043 N/A SER 383.A N PHE 379.A O no hydrogen 2.904 N/A SER 386.A N SER 383.A O no hydrogen 3.337 N/A SER 386.A OG VAL 129.A O no hydrogen 3.520 N/A GLN 387.A N VAL 129.A O no hydrogen 3.111 N/A GLN 387.A NE2 VAL 129.A O no hydrogen 3.686 N/A LYS 389.A N ASP 127.A O no hydrogen 3.117 N/A THR 392.A N ASP 390.A OD2 no hydrogen 3.298 N/A THR 392.A OG1 ASP 390.A OD2 no hydrogen 2.626 N/A ASN 393.A ND2 GLN 559.A O no hydrogen 3.175 N/A ASN 393.A ND2 ALA 562.A O no hydrogen 2.688 N/A SER 396.A N ASN 393.A OD1 no hydrogen 3.067 N/A SER 396.A OG ASP 390.A O no hydrogen 3.091 N/A SER 396.A OG THR 560.A O no hydrogen 2.984 N/A SER 397.A N ASN 393.A O no hydrogen 3.276 N/A SER 397.A OG PRO 394.A O no hydrogen 2.507 N/A LEU 398.A N PRO 394.A O no hydrogen 2.977 N/A ARG 399.A N LEU 395.A O no hydrogen 3.017 N/A ARG 399.A N SER 396.A O no hydrogen 3.033 N/A ARG 399.A NH1 ASN 557.A OD1 no hydrogen 3.397 N/A HIS 400.A N SER 396.A O no hydrogen 3.182 N/A LYS 401.A N LEU 398.A O no hydrogen 3.259 N/A LYS 401.A NZ ASP 118.A O no hydrogen 2.684 N/A ARG 402.A N ARG 399.A O no hydrogen 2.449 N/A ILE 404.A N THR 447.A O no hydrogen 2.677 N/A SER 405.A N SER 132.A O no hydrogen 3.285 N/A SER 405.A OG LEU 407.A O no hydrogen 3.486 N/A THR 413.A OG1 ARG 414.A O no hydrogen 3.171 N/A ARG 422.A N GLY 418.A O no hydrogen 2.902 N/A ARG 422.A NH1 ILE 443.A O no hydrogen 3.552 N/A ARG 422.A NH2 GLU 415.A O no hydrogen 3.524 N/A HIS 428.A N HIS 425.A O no hydrogen 2.965 N/A ARG 431.A N HIS 428.A O no hydrogen 2.667 N/A ARG 431.A NE ILE 461.A O no hydrogen 3.237 N/A ARG 431.A NH1 THR 427.A O no hydrogen 3.298 N/A ARG 431.A NH2 MET 480.A O no hydrogen 3.420 N/A ILE 432.A N HIS 428.A O no hydrogen 2.687 N/A CYS 433.A N SER 448.A O no hydrogen 3.386 N/A CYS 433.A SG THR 538.A OG1 no hydrogen 2.918 N/A GLY 444.A N THR 437.A OG1 no hydrogen 2.394 N/A LEU 445.A N ASN 442.A O no hydrogen 3.328 N/A THR 447.A N ILE 404.A O no hydrogen 2.834 N/A THR 447.A OG1 CYS 433.A O no hydrogen 3.447 N/A THR 447.A OG1 SER 448.A O no hydrogen 2.918 N/A SER 448.A OG GLU 436.A OE1 no hydrogen 2.642 N/A ALA 451.A N PHE 534.A O no hydrogen 2.892 N/A ARG 454.A N ARG 462.A O no hydrogen 3.216 N/A LEU 458.A N ASP 456.A OD2 no hydrogen 3.034 N/A GLY 459.A N ASP 456.A O no hydrogen 3.424 N/A ARG 462.A N ARG 454.A O no hydrogen 3.026 N/A THR 463.A N MET 480.A O no hydrogen 3.368 N/A THR 463.A OG1 GLY 430.A O no hydrogen 2.595 N/A TYR 465.A N VAL 478.A O no hydrogen 3.214 N/A TYR 465.A OH GLU 485.A OE2 no hydrogen 2.476 N/A ARG 466.A N MET 526.A O no hydrogen 2.582 N/A ARG 467.A N GLU 476.A O no hydrogen 3.265 N/A VAL 468.A N GLU 524.A O no hydrogen 3.068 N/A VAL 472.A N VAL 469.A O no hydrogen 3.361 N/A VAL 473.A N ASN 500.A O no hydrogen 3.385 N/A THR 474.A N ARG 467.A O no hydrogen 2.917 N/A THR 474.A OG1 ARG 467.A O no hydrogen 3.147 N/A VAL 478.A N TYR 465.A O no hydrogen 3.150 N/A MET 480.A N THR 463.A O no hydrogen 2.977 N/A THR 481.A OG1 GLU 484.A OE2 no hydrogen 3.481 N/A THR 483.A OG1 TYR 269.A OH no hydrogen 3.199 N/A GLU 485.A N THR 481.A O no hydrogen 3.136 N/A GLU 485.A N ALA 482.A O no hydrogen 3.138 N/A ASP 486.A N THR 483.A O no hydrogen 3.057 N/A TYR 488.A N GLU 485.A O no hydrogen 3.359 N/A THR 489.A N GLU 524.A OE2 no hydrogen 3.320 N/A ALA 491.A N PHE 525.A O no hydrogen 2.698 N/A THR 495.A OG1 GLN 492.A O no hydrogen 2.540 N/A GLU 498.A N ARG 501.A O no hydrogen 3.126 N/A ILE 502.A N GLY 471.A O no hydrogen 3.289 N/A VAL 507.A N VAL 518.A O no hydrogen 3.244 N/A ALA 509.A N VAL 516.A O no hydrogen 3.136 N/A ARG 510.A N ILE 490.A O no hydrogen 2.654 N/A ARG 511.A N GLU 514.A O no hydrogen 2.988 N/A VAL 516.A N ALA 509.A O no hydrogen 3.005 N/A VAL 518.A N VAL 507.A O no hydrogen 3.060 N/A SER 519.A OG GLU 521.A OE1 no hydrogen 3.021 N/A GLU 521.A N SER 519.A OG no hydrogen 3.214 N/A GLU 522.A N SER 519.A O no hydrogen 2.795 N/A GLU 524.A N THR 489.A O no hydrogen 3.380 N/A PHE 525.A N THR 489.A O no hydrogen 3.479 N/A MET 526.A N ARG 466.A O no hydrogen 2.823 N/A ASP 527.A N ALA 491.A O no hydrogen 2.821 N/A SER 529.A N GLN 532.A OE1 no hydrogen 2.910 N/A LYS 531.A N SER 529.A OG no hydrogen 3.377 N/A LYS 531.A NZ SER 529.A OG no hydrogen 2.981 N/A GLN 532.A NE2 PRO 464.A O no hydrogen 2.680 N/A VAL 533.A N PRO 530.A O no hydrogen 2.867 N/A PHE 534.A N LYS 531.A O no hydrogen 2.820 N/A SER 535.A OG LEU 449.A O no hydrogen 3.302 N/A ASN 537.A ND2 GLU 436.A OE2 no hydrogen 2.579 N/A ASN 539.A N SER 535.A O no hydrogen 2.520 N/A ASN 539.A ND2 LYS 531.A O no hydrogen 3.051 N/A ASN 539.A ND2 SER 535.A O no hydrogen 3.290 N/A ILE 541.A N THR 538.A O no hydrogen 2.990 N/A LEU 544.A N ILE 541.A O no hydrogen 3.399 N/A HIS 546.A N PHE 543.A O no hydrogen 2.775 N/A ASP 547.A N LEU 544.A O no hydrogen 2.810 N/A ASP 548.A N MET 874.A O no hydrogen 2.604 N/A ARG 551.A N ASP 548.A OD2 no hydrogen 3.092 N/A ALA 552.A N ASP 548.A O no hydrogen 3.024 N/A LEU 553.A N ALA 549.A O no hydrogen 3.213 N/A GLY 555.A N ARG 551.A O no hydrogen 2.893 N/A SER 556.A N ALA 552.A O no hydrogen 2.763 N/A SER 556.A OG ALA 552.A O no hydrogen 3.327 N/A ASN 557.A N LEU 553.A O no hydrogen 2.810 N/A ASN 557.A ND2 GLU 436.A O no hydrogen 3.582 N/A ASN 557.A ND2 THR 437.A O no hydrogen 3.539 N/A ASN 557.A ND2 LEU 553.A O no hydrogen 3.313 N/A MET 558.A N MET 554.A O no hydrogen 2.772 N/A GLN 559.A N GLY 555.A O no hydrogen 3.456 N/A GLN 559.A N SER 556.A O no hydrogen 3.196 N/A THR 560.A N ASN 557.A O no hydrogen 2.902 N/A GLN 561.A N MET 558.A O no hydrogen 2.794 N/A ALA 562.A N GLN 559.A O no hydrogen 3.134 N/A VAL 563.A N LYS 990.A O no hydrogen 3.300 N/A ILE 566.A N THR 695.A O no hydrogen 3.068 N/A GLN 569.A N GLY 663.A O no hydrogen 3.437 N/A VAL 572.A N ASN 665.A OD1 no hydrogen 3.219 N/A MET 574.A N TYR 895.A O no hydrogen 2.710 N/A THR 575.A OG1 ASN 539.A O no hydrogen 2.834 N/A THR 575.A OG1 GLU 578.A OE2 no hydrogen 2.474 N/A GLY 576.A N GLU 578.A OE2 no hydrogen 2.766 N/A LEU 577.A N GLU 578.A OE2 no hydrogen 2.863 N/A ARG 580.A NH1 ASP 584.A OD2 no hydrogen 2.986 N/A ARG 580.A NH2 LEU 15.A O no hydrogen 2.452 N/A VAL 581.A N LEU 577.A O no hydrogen 2.896 N/A VAL 582.A N GLU 578.A O no hydrogen 3.376 N/A ARG 583.A N GLU 579.A O no hydrogen 3.062 N/A ASP 584.A N ARG 580.A O no hydrogen 2.740 N/A SER 585.A N VAL 581.A O no hydrogen 2.973 N/A SER 585.A OG VAL 581.A O no hydrogen 2.695 N/A SER 585.A OG VAL 582.A O no hydrogen 2.837 N/A LEU 586.A N ARG 583.A O no hydrogen 3.036 N/A LEU 589.A N ALA 650.A O no hydrogen 3.140 N/A ALA 591.A N ASP 647.A O no hydrogen 2.852 N/A GLY 595.A N VAL 643.A O no hydrogen 3.385 N/A GLU 596.A N ARG 608.A O no hydrogen 2.743 N/A VAL 597.A N GLN 641.A O no hydrogen 3.079 N/A ALA 598.A N VAL 606.A O no hydrogen 2.680 N/A LYS 599.A N VAL 606.A O no hydrogen 2.818 N/A ASP 601.A N ARG 604.A O no hydrogen 2.892 N/A ASN 603.A ND2 GLY 602.A O no hydrogen 3.203 N/A ILE 605.A N TYR 617.A O no hydrogen 2.994 N/A VAL 606.A N LYS 599.A O no hydrogen 2.795 N/A VAL 607.A N VAL 615.A O no hydrogen 3.214 N/A ARG 608.A N GLU 596.A O no hydrogen 2.698 N/A TYR 609.A N ARG 613.A O no hydrogen 3.091 N/A GLU 610.A N ASP 594.A O no hydrogen 3.170 N/A VAL 615.A N VAL 607.A O no hydrogen 3.123 N/A TYR 617.A N ILE 605.A O no hydrogen 2.965 N/A TYR 617.A OH TYR 609.A OH no hydrogen 2.813 N/A LEU 619.A N ASN 603.A O no hydrogen 2.838 N/A ARG 621.A NH2 ASN 603.A OD1 no hydrogen 2.954 N/A ARG 624.A NE ILE 699.A O no hydrogen 2.737 N/A ARG 624.A NH1 SER 625.A O no hydrogen 3.030 N/A ARG 624.A NH2 ILE 699.A O no hydrogen 3.278 N/A SER 625.A N THR 629.A O no hydrogen 3.284 N/A SER 625.A OG THR 629.A OG1 no hydrogen 2.814 N/A ASN 626.A ND2 ASP 127.A O no hydrogen 3.150 N/A ASN 626.A ND2 LYS 389.A O no hydrogen 3.545 N/A GLN 627.A N SER 625.A OG no hydrogen 2.892 N/A GLN 627.A NE2 LYS 389.A O no hydrogen 3.428 N/A GLY 628.A N SER 625.A O no hydrogen 2.933 N/A THR 629.A N SER 625.A OG no hydrogen 2.781 N/A THR 629.A OG1 THR 392.A O no hydrogen 3.168 N/A THR 629.A OG1 SER 625.A OG no hydrogen 2.814 N/A ARG 634.A N ASP 651.A O no hydrogen 3.354 N/A ARG 636.A N LEU 649.A O no hydrogen 3.009 N/A VAL 638.A N GLN 641.A OE1 no hydrogen 3.317 N/A VAL 643.A N GLY 595.A O no hydrogen 3.153 N/A LYS 645.A N ASP 594.A OD1 no hydrogen 2.990 N/A GLY 646.A N ALA 591.A O no hydrogen 2.574 N/A LEU 649.A N LEU 589.A O no hydrogen 2.570 N/A ALA 650.A N LEU 589.A O no hydrogen 3.287 N/A ASP 651.A N ARG 634.A O no hydrogen 3.104 N/A GLY 652.A N SER 655.A OG no hydrogen 3.248 N/A GLU 656.A N PHE 659.A O no hydrogen 2.902 N/A ASN 657.A N ASP 651.A OD2 no hydrogen 3.098 N/A GLY 658.A N ASP 651.A OD1 no hydrogen 3.051 N/A PHE 659.A N GLU 656.A O no hydrogen 3.035 N/A ALA 661.A N ALA 654.A O no hydrogen 2.595 N/A GLN 664.A N TYR 694.A OH no hydrogen 3.119 N/A GLN 664.A N ILE 988.A O no hydrogen 3.121 N/A GLN 664.A NE2 PHE 693.A O no hydrogen 2.383 N/A ASN 665.A ND2 ALA 570.A O no hydrogen 2.597 N/A VAL 666.A N MET 986.A O no hydrogen 3.216 N/A LEU 667.A N ASP 862.A OD1 no hydrogen 2.930 N/A VAL 668.A N GLY 984.A O no hydrogen 2.691 N/A ALA 669.A N VAL 863.A O no hydrogen 3.005 N/A ILE 670.A N VAL 982.A O no hydrogen 3.075 N/A PHE 673.A N ASN 677.A OD1 no hydrogen 2.772 N/A ILE 682.A N VAL 842.A O no hydrogen 2.828 N/A ILE 684.A N LYS 845.A O no hydrogen 3.062 N/A SER 685.A N ASP 862.A O no hydrogen 2.905 N/A GLU 686.A N LEU 847.A O no hydrogen 2.485 N/A LEU 688.A N SER 685.A O no hydrogen 2.499 N/A LYS 690.A N GLU 686.A O no hydrogen 3.152 N/A ARG 691.A NE GLU 687.A O no hydrogen 3.359 N/A ASP 692.A N LEU 689.A O no hydrogen 3.036 N/A PHE 693.A N LEU 688.A O no hydrogen 3.074 N/A TYR 694.A OH GLN 664.A O no hydrogen 2.886 N/A TYR 694.A OH ILE 988.A O no hydrogen 2.587 N/A SER 696.A N ARG 825.A O no hydrogen 2.963 N/A SER 696.A OG ILE 697.A O no hydrogen 3.559 N/A SER 696.A OG HIS 698.A ND1 no hydrogen 3.011 N/A HIS 698.A N GLN 823.A O no hydrogen 3.096 N/A HIS 698.A ND1 SER 696.A OG no hydrogen 3.011 N/A HIS 698.A ND1 ILE 697.A O no hydrogen 2.973 N/A GLU 700.A N VAL 821.A O no hydrogen 2.734 N/A ARG 701.A N GLU 700.A OE2 no hydrogen 2.846 N/A ARG 701.A NE ARG 701.A O no hydrogen 3.487 N/A TYR 702.A N VAL 819.A O no hydrogen 3.144 N/A ILE 704.A N VAL 817.A O no hydrogen 3.254 N/A ALA 706.A N GLU 815.A O no hydrogen 3.274 N/A ARG 707.A N GLU 714.A OE1 no hydrogen 3.330 N/A THR 709.A OG1 GLY 712.A O no hydrogen 2.913 N/A GLY 712.A N THR 709.A O no hydrogen 3.251 N/A GLU 714.A N ARG 707.A O no hydrogen 3.218 N/A ARG 715.A N THR 753.A O no hydrogen 3.042 N/A ARG 718.A NH2 GLU 725.A OE2 no hydrogen 2.931 N/A LEU 723.A N ILE 720.A O no hydrogen 3.110 N/A LEU 728.A N GLU 725.A O no hydrogen 3.124 N/A ASP 732.A N ASP 730.A O no hydrogen 2.804 N/A ARG 738.A N ASP 730.A O no hydrogen 3.127 N/A GLY 740.A N VAL 794.A O no hydrogen 2.980 N/A ALA 741.A N ARG 738.A O no hydrogen 3.275 N/A VAL 743.A N GLY 792.A O no hydrogen 2.867 N/A LYS 744.A N ASP 747.A OD2 no hydrogen 3.084 N/A GLY 746.A N VAL 786.A O no hydrogen 3.083 N/A ASP 747.A N LYS 744.A O no hydrogen 3.134 N/A LEU 749.A N LEU 784.A O no hydrogen 2.877 N/A VAL 750.A N LEU 784.A O no hydrogen 3.084 N/A GLY 751.A N GLY 735.A O no hydrogen 3.415 N/A ARG 752.A N SER 783.A OG no hydrogen 3.039 N/A THR 753.A N ARG 715.A O no hydrogen 2.778 N/A THR 753.A OG1 ARG 715.A O no hydrogen 2.809 N/A SER 754.A N LYS 780.A O no hydrogen 3.280 N/A GLU 758.A N LYS 756.A O no hydrogen 2.412 N/A THR 762.A OG1 GLU 765.A OE2 no hydrogen 3.250 N/A SER 770.A OG ARG 766.A O no hydrogen 2.663 N/A ILE 771.A N LEU 767.A O no hydrogen 3.336 N/A GLY 773.A N ARG 769.A O no hydrogen 3.032 N/A ALA 776.A N GLU 774.A O no hydrogen 2.757 N/A ARG 777.A NH2 ASP 719.A O no hydrogen 3.033 N/A LYS 780.A N SER 754.A O no hydrogen 2.774 N/A THR 782.A N ARG 752.A O no hydrogen 3.146 N/A THR 782.A OG1 THR 782.A O no hydrogen 2.622 N/A SER 783.A OG ARG 752.A O no hydrogen 3.519 N/A SER 783.A OG ASP 781.A OD2 no hydrogen 3.277 N/A VAL 786.A N ASP 747.A O no hydrogen 2.800 N/A GLY 792.A N VAL 743.A O no hydrogen 3.120 N/A ILE 793.A N ALA 822.A O no hydrogen 2.637 N/A VAL 794.A N ALA 741.A O no hydrogen 3.317 N/A VAL 795.A N TYR 820.A O no hydrogen 2.987 N/A VAL 798.A N ARG 818.A O no hydrogen 2.985 N/A ARG 799.A NH1 GLU 733.A OE2 no hydrogen 3.109 N/A LEU 800.A N VAL 816.A O no hydrogen 2.947 N/A ARG 814.A N ALA 706.A O no hydrogen 3.341 N/A VAL 816.A N LEU 800.A O no hydrogen 3.425 N/A VAL 817.A N ILE 704.A O no hydrogen 3.255 N/A ARG 818.A N VAL 798.A O no hydrogen 2.764 N/A VAL 819.A N TYR 702.A O no hydrogen 3.005 N/A TYR 820.A N ARG 796.A O no hydrogen 3.077 N/A VAL 821.A N GLU 700.A O no hydrogen 3.027 N/A ALA 822.A N ILE 793.A O no hydrogen 2.778 N/A GLN 823.A N HIS 698.A O no hydrogen 3.073 N/A ARG 825.A N SER 696.A O no hydrogen 2.687 N/A LEU 827.A N TYR 694.A O no hydrogen 3.005 N/A ASP 831.A N GLN 828.A O no hydrogen 3.041 N/A LEU 833.A N GLY 841.A O no hydrogen 2.852 N/A ALA 834.A N MET 989.A O no hydrogen 2.734 N/A ASN 835.A N ASN 839.A O no hydrogen 3.146 N/A ASN 835.A ND2 GLN 878.A OE1 no hydrogen 3.276 N/A ARG 836.A NH1 LEU 540.A O no hydrogen 3.569 N/A ARG 836.A NH1 VAL 573.A O no hydrogen 3.200 N/A ARG 836.A NH2 VAL 573.A O no hydrogen 3.449 N/A ARG 836.A NH2 GLU 881.A OE1 no hydrogen 3.052 N/A GLY 838.A N ASN 835.A O no hydrogen 3.040 N/A ASN 839.A N ASN 835.A OD1 no hydrogen 2.475 N/A ASN 839.A ND2 GLN 878.A OE1 no hydrogen 3.286 N/A GLY 841.A N LEU 833.A O no hydrogen 2.984 N/A VAL 843.A N ASP 831.A O no hydrogen 2.969 N/A ALA 844.A N ILE 682.A O no hydrogen 2.710 N/A LEU 847.A N ILE 684.A O no hydrogen 2.521 N/A ASP 851.A N PRO 848.A O no hydrogen 2.927 N/A MET 852.A N VAL 849.A O no hydrogen 3.036 N/A HIS 854.A N TYR 969.A O no hydrogen 3.263 N/A LEU 855.A N THR 859.A O no hydrogen 2.813 N/A THR 859.A N ASP 857.A OD2 no hydrogen 2.645 N/A THR 859.A OG1 PRO 860.A O no hydrogen 3.313 N/A VAL 861.A N PRO 853.A O no hydrogen 3.113 N/A ASP 862.A N LEU 667.A O no hydrogen 2.774 N/A VAL 863.A N LEU 667.A O no hydrogen 3.221 N/A ILE 864.A N VAL 683.A O no hydrogen 3.260 N/A LEU 865.A N ALA 669.A O no hydrogen 3.086 N/A VAL 870.A N PRO 867.A O no hydrogen 2.806 N/A ARG 873.A NH1 GLY 869.A O no hydrogen 3.118 N/A LEU 876.A N HIS 546.A O no hydrogen 3.188 N/A GLY 877.A N ASP 547.A OD2 no hydrogen 2.397 N/A GLN 878.A NE2 ASN 875.A O no hydrogen 3.646 N/A LEU 880.A N LEU 876.A O no hydrogen 2.987 N/A GLU 881.A N GLY 877.A O no hydrogen 2.744 N/A THR 882.A N GLN 878.A O no hydrogen 2.883 N/A THR 882.A OG1 GLN 878.A O no hydrogen 2.986 N/A HIS 883.A N ILE 879.A O no hydrogen 3.299 N/A LEU 884.A N LEU 880.A O no hydrogen 3.111 N/A GLY 885.A N GLU 881.A O no hydrogen 2.586 N/A LEU 886.A N HIS 883.A O no hydrogen 2.745 N/A ALA 887.A N HIS 883.A O no hydrogen 3.343 N/A ALA 887.A N LEU 884.A O no hydrogen 2.723 N/A GLY 888.A N LEU 884.A O no hydrogen 3.032 N/A TYR 889.A N GLY 885.A O no hydrogen 3.203 N/A LEU 891.A N ALA 887.A O no hydrogen 2.722 N/A GLY 892.A N TYR 889.A O no hydrogen 3.117 N/A GLN 893.A N GLY 888.A O no hydrogen 3.107 N/A ARG 894.A NH1 GLU 656.A OE1 no hydrogen 3.402 N/A TYR 895.A N VAL 572.A O no hydrogen 2.974 N/A ILE 896.A N LYS 4.A O no hydrogen 3.012 N/A SER 897.A N MET 574.A O no hydrogen 2.711 N/A ALA 903.A N SER 897.A OG no hydrogen 2.754 N/A LYS 904.A N GLU 907.A OE1 no hydrogen 2.844 N/A LYS 904.A NZ GLU 545.A OE2 no hydrogen 3.426 N/A ILE 908.A N LYS 904.A O no hydrogen 3.220 N/A LYS 909.A N GLU 905.A O no hydrogen 3.342 N/A GLU 910.A N PRO 906.A O no hydrogen 3.053 N/A LEU 911.A N GLU 907.A O no hydrogen 3.129 N/A LEU 912.A N ILE 908.A O no hydrogen 2.718 N/A ALA 913.A N LYS 909.A O no hydrogen 2.792 N/A GLN 914.A N GLU 910.A O no hydrogen 3.261 N/A ALA 915.A N LEU 911.A O no hydrogen 2.872 N/A PHE 916.A N LEU 912.A O no hydrogen 3.000 N/A PHE 916.A N ALA 913.A O no hydrogen 2.895 N/A GLU 917.A N GLN 914.A O no hydrogen 3.012 N/A VAL 918.A N ALA 915.A O no hydrogen 3.205 N/A TYR 919.A N ALA 915.A O no hydrogen 3.004 N/A PHE 920.A N PHE 916.A O no hydrogen 2.925 N/A LYS 922.A NZ GLU 926.A OE1 no hydrogen 3.532 N/A ARG 923.A NH2 GLU 934.A OE2 no hydrogen 2.889 N/A LYS 924.A N PHE 920.A O no hydrogen 3.030 N/A GLY 925.A N GLY 921.A O no hydrogen 3.517 N/A GLU 926.A N LYS 922.A O no hydrogen 2.814 N/A GLY 927.A N LYS 924.A O no hydrogen 3.289 N/A PHE 928.A N ARG 923.A O no hydrogen 3.371 N/A ASP 931.A N GLU 934.A OE2 no hydrogen 3.446 N/A LYS 932.A N ASP 931.A OD2 no hydrogen 2.970 N/A VAL 935.A N ASP 931.A O no hydrogen 3.095 N/A GLU 936.A N LYS 932.A O no hydrogen 3.107 N/A VAL 937.A N ARG 933.A O no hydrogen 3.053 N/A LEU 938.A N GLU 934.A O no hydrogen 3.031 N/A ARG 939.A N VAL 935.A O no hydrogen 2.977 N/A ARG 940.A N GLU 936.A O no hydrogen 3.475 N/A ALA 941.A N VAL 937.A O no hydrogen 2.914 N/A ALA 941.A N LEU 938.A O no hydrogen 3.070 N/A GLU 942.A N LEU 938.A O no hydrogen 2.940 N/A LYS 943.A N ARG 939.A O no hydrogen 3.021 N/A LEU 944.A N ALA 941.A O no hydrogen 3.033 N/A GLY 945.A N GLU 942.A O no hydrogen 3.090 N/A LEU 946.A N ALA 941.A O no hydrogen 2.899 N/A THR 948.A OG1 THR 948.A O no hydrogen 2.412 N/A THR 948.A OG1 GLU 959.A OE1 no hydrogen 3.152 N/A GLU 954.A N THR 952.A OG1 no hydrogen 3.090 N/A GLN 956.A N THR 952.A O no hydrogen 2.641 N/A GLN 956.A NE2 LYS 951.A O no hydrogen 3.028 N/A LEU 957.A N PRO 953.A O no hydrogen 2.762 N/A LYS 958.A N GLU 954.A O no hydrogen 3.167 N/A GLU 959.A N GLU 955.A O no hydrogen 3.008 N/A LEU 960.A N GLN 956.A O no hydrogen 2.828 N/A PHE 961.A N LEU 957.A O no hydrogen 2.625 N/A LEU 962.A N LYS 958.A O no hydrogen 2.787 N/A GLN 963.A N GLU 959.A O no hydrogen 3.262 N/A GLY 964.A N PHE 961.A O no hydrogen 2.547 N/A LYS 965.A N LEU 960.A O no hydrogen 3.361 N/A VAL 966.A N ILE 981.A O no hydrogen 3.149 N/A TYR 969.A N HIS 854.A O no hydrogen 3.168 N/A TYR 969.A OH ASP 931.A OD1 no hydrogen 2.331 N/A ASP 970.A N GLU 975.A O no hydrogen 2.767 N/A ARG 972.A N ASP 970.A OD1 no hydrogen 2.831 N/A ARG 972.A NE ASP 970.A OD1 no hydrogen 3.415 N/A THR 973.A OG1 GLU 975.A OE1 no hydrogen 3.024 N/A ILE 977.A N LEU 968.A O no hydrogen 3.010 N/A ILE 981.A N VAL 966.A O no hydrogen 3.031 N/A GLY 984.A N VAL 668.A O no hydrogen 2.936 N/A MET 986.A N VAL 666.A O no hydrogen 3.088 N/A PHE 987.A N GLU 881.A OE1 no hydrogen 2.595 N/A ILE 988.A N GLN 664.A O no hydrogen 3.220 N/A MET 989.A N ALA 834.A O no hydrogen 2.934 N/A LEU 991.A N LYS 832.A O no hydrogen 3.022 N/A TYR 992.A N GLN 561.A O no hydrogen 3.076 N/A TYR 992.A OH GLN 627.A O no hydrogen 3.020 N/A LYS 998.A N VAL 995.A O no hydrogen 2.560 N/A LYS 998.A NZ HIS 993.A NE2 no hydrogen 3.143 N/A ARG 1002.A NE PHE 1021.A O no hydrogen 2.505 N/A THR 1004.A OG1 SER 1003.A O no hydrogen 3.365 N/A SER 1008.A N GLN 1013.A O no hydrogen 2.817 N/A SER 1008.A OG THR 1011.A OG1 no hydrogen 3.326 N/A THR 1011.A N SER 1008.A OG no hydrogen 3.410 N/A THR 1011.A OG1 SER 1008.A OG no hydrogen 3.326 N/A LEU 1015.A N GLN 1013.A O no hydrogen 2.715 N/A GLU 1030.A N GLU 1030.A OE1 no hydrogen 2.388 N/A VAL 1031.A N GLY 1027.A O no hydrogen 3.180 N/A VAL 1031.A N GLU 1028.A O no hydrogen 2.829 N/A TRP 1032.A N GLU 1028.A O no hydrogen 2.888 N/A ALA 1033.A N MET 1029.A O no hydrogen 3.152 N/A LEU 1034.A N GLU 1030.A O no hydrogen 3.200 N/A GLU 1035.A N VAL 1031.A O no hydrogen 2.605 N/A ALA 1036.A N TRP 1032.A O no hydrogen 2.755 N/A TYR 1037.A N ALA 1033.A O no hydrogen 3.482 N/A GLY 1038.A N LEU 1034.A O no hydrogen 3.211 N/A GLY 1038.A N GLU 1035.A O no hydrogen 2.538 N/A ALA 1039.A N LEU 1034.A O no hydrogen 3.386 N/A LEU 1043.A N ALA 1039.A O no hydrogen 3.097 N/A LEU 1043.A N ALA 1040.A O no hydrogen 3.007 N/A GLN 1044.A N ALA 1040.A O no hydrogen 2.708 N/A GLU 1045.A N HIS 1041.A O no hydrogen 2.471 N/A MET 1046.A N THR 1042.A O no hydrogen 3.379 N/A LEU 1047.A N LEU 1043.A O no hydrogen 3.052 N/A THR 1048.A N GLN 1044.A O no hydrogen 2.943 N/A THR 1048.A OG1 GLN 1044.A O no hydrogen 3.323 N/A LYS 1050.A N GLU 1045.A O no hydrogen 3.037 N/A SER 1051.A N THR 1048.A O no hydrogen 2.790 N/A GLY 1056.A N ASP 1053.A OD1 no hydrogen 2.815 N/A ARG 1057.A N ASP 1053.A O no hydrogen 2.628 N/A ASN 1058.A N ILE 1054.A O no hydrogen 3.254 N/A ALA 1059.A N GLU 1055.A O no hydrogen 3.140 N/A ALA 1060.A N GLY 1056.A O no hydrogen 3.037 N/A TYR 1061.A N ARG 1057.A O no hydrogen 3.003 N/A GLU 1062.A N ASN 1058.A O no hydrogen 2.934 N/A ALA 1063.A N ALA 1059.A O no hydrogen 2.759 N/A ILE 1064.A N ALA 1060.A O no hydrogen 2.829 N/A ILE 1065.A N TYR 1061.A O no hydrogen 2.956 N/A LYS 1066.A N GLU 1062.A O no hydrogen 2.957 N/A LYS 1066.A N ALA 1063.A O no hydrogen 2.816 N/A LYS 1066.A NZ GLU 1068.A OE2 no hydrogen 3.145 N/A GLY 1067.A N ILE 1064.A O no hydrogen 3.085 N/A GLU 1068.A N ALA 1063.A O no hydrogen 2.933 N/A SER 1078.A OG ASP 1052.A OD1 no hydrogen 3.040 N/A PHE 1079.A N PRO 1076.A O no hydrogen 2.609 N/A ARG 1080.A N PRO 1076.A O no hydrogen 3.172 N/A ARG 1080.A NH2 ILE 1105.A O no hydrogen 3.493 N/A VAL 1081.A N GLU 1077.A O no hydrogen 2.945 N/A LEU 1082.A N SER 1078.A O no hydrogen 3.067 N/A LEU 1082.A N PHE 1079.A O no hydrogen 2.857 N/A VAL 1083.A N PHE 1079.A O no hydrogen 3.043 N/A LYS 1084.A N ARG 1080.A O no hydrogen 3.131 N/A GLU 1085.A N VAL 1081.A O no hydrogen 2.912 N/A LEU 1086.A N LEU 1082.A O no hydrogen 2.788 N/A LEU 1086.A N VAL 1083.A O no hydrogen 2.955 N/A GLN 1087.A N LYS 1084.A O no hydrogen 2.625 N/A ALA 1088.A N LYS 1084.A O no hydrogen 2.556 N/A GLN 1094.A NE2 VAL 1093.A O no hydrogen 3.357 N/A ASP 1097.A N ASN 1101.A O no hydrogen 2.743 N/A LYS 1099.A NZ ASP 1097.A OD2 no hydrogen 2.575 N/A LYS 1099.A NZ LYS 1099.A O no hydrogen 3.206 N/A ASN 1101.A ND2 LYS 1099.A O no hydrogen 3.302 N/A