Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6soc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 7.A N LEU 61.A O no hydrogen 2.686 N/A GLU 9.A N VAL 63.A O no hydrogen 3.023 N/A ALA 19.A N ALA 15.A O no hydrogen 3.141 N/A LEU 20.A N VAL 16.A O no hydrogen 2.853 N/A LEU 21.A N GLY 17.A O no hydrogen 2.452 N/A SER 22.A N ALA 18.A O no hydrogen 3.286 N/A SER 22.A OG ALA 42.A O no hydrogen 2.397 N/A MET 23.A N LEU 20.A O no hydrogen 3.094 N/A ASP 29.A N ARG 26.A O no hydrogen 3.027 N/A VAL 31.A N PHE 1.A O no hydrogen 3.169 N/A ILE 36.A N ASN 32.A O no hydrogen 3.058 N/A SER 37.A N ASP 33.A O no hydrogen 3.245 N/A SER 37.A OG GLU 34.A O no hydrogen 2.505 N/A ASN 38.A N GLU 34.A O no hydrogen 2.428 N/A THR 39.A N ASP 35.A O no hydrogen 2.409 N/A THR 39.A OG1 ASP 35.A O no hydrogen 2.282 N/A ILE 40.A N ILE 36.A O no hydrogen 2.911 N/A ARG 41.A N SER 37.A O no hydrogen 3.166 N/A ALA 42.A N ASN 38.A O no hydrogen 2.833 N/A PHE 44.A N ILE 40.A O no hydrogen 3.310 N/A ALA 45.A N ARG 41.A O no hydrogen 3.190 N/A THR 46.A N LEU 43.A O no hydrogen 2.948 N/A THR 46.A OG1 LEU 43.A O no hydrogen 2.588 N/A GLY 47.A N PHE 44.A O no hydrogen 3.043 N/A ASP 51.A N LYS 66.A O no hydrogen 2.859 N/A ARG 53.A N GLN 64.A O no hydrogen 3.026 N/A LEU 55.A N LEU 62.A O no hydrogen 2.538 N/A ARG 56.A NH1 ARG 56.A O no hydrogen 2.589 N/A ASP 57.A N THR 60.A O no hydrogen 2.390 N/A THR 60.A N ASP 57.A O no hydrogen 3.225 N/A LEU 62.A N LEU 55.A O no hydrogen 2.430 N/A VAL 63.A N HIS 7.A O no hydrogen 2.629 N/A GLN 64.A N ARG 53.A O no hydrogen 2.790 N/A GLN 64.A NE2 LEU 62.A O no hydrogen 3.022 N/A VAL 65.A N VAL 63.A O no hydrogen 2.986 N/A LYS 66.A N ASP 51.A O no hydrogen 2.425 N/A ARG 68.A N ASN 48.A O no hydrogen 2.418 N/A ARG 68.A NE GLY 47.A O no hydrogen 3.637 N/A SER 73.A N VAL 140.A O no hydrogen 3.044 N/A SER 73.A OG ASP 141.A OD1 no hydrogen 2.683 N/A THR 75.A N LEU 142.A O no hydrogen 2.725 N/A THR 75.A OG1 ASP 141.A OD1 no hydrogen 2.942 N/A THR 75.A OG1 ASP 141.A OD2 no hydrogen 2.605 N/A SER 77.A OG LEU 144.A O no hydrogen 2.401 N/A LEU 87.A N LYS 83.A O no hydrogen 3.240 N/A LYS 88.A N ASP 84.A O no hydrogen 2.441 N/A LYS 88.A NZ LYS 88.A O no hydrogen 2.979 N/A LYS 88.A NZ VAL 96.A O no hydrogen 3.011 N/A GLN 89.A N ASP 85.A O no hydrogen 2.403 N/A ASN 90.A N MET 86.A O no hydrogen 3.000 N/A LEU 91.A N LEU 87.A O no hydrogen 2.913 N/A GLU 92.A N LYS 88.A O no hydrogen 2.511 N/A ALA 93.A N GLN 89.A O no hydrogen 2.393 N/A SER 94.A N ASN 90.A O no hydrogen 2.592 N/A SER 94.A OG ASN 90.A O no hydrogen 2.657 N/A SER 94.A OG LEU 91.A O no hydrogen 3.351 N/A VAL 96.A N LEU 91.A O no hydrogen 2.737 N/A GLY 99.A N ILE 71.A O no hydrogen 2.317 N/A SER 101.A OG THR 46.A O no hydrogen 3.245 N/A LEU 102.A N ARG 68.A O no hydrogen 2.912 N/A THR 105.A OG1 ASP 103.A OD1 no hydrogen 2.888 N/A THR 106.A OG1 THR 106.A O no hydrogen 2.401 N/A THR 106.A OG1 ASP 109.A OD2 no hydrogen 3.018 N/A ILE 110.A N THR 106.A O no hydrogen 2.607 N/A GLU 111.A N ILE 107.A O no hydrogen 2.993 N/A LYS 112.A N ALA 108.A O no hydrogen 2.472 N/A GLY 113.A N ASP 109.A O no hydrogen 3.006 N/A LEU 114.A N ILE 110.A O no hydrogen 2.381 N/A GLU 115.A N GLU 111.A O no hydrogen 2.718 N/A ASP 116.A N LYS 112.A O no hydrogen 2.378 N/A PHE 117.A N GLY 113.A O no hydrogen 2.529 N/A TYR 118.A N LEU 114.A O no hydrogen 2.489 N/A TYR 119.A N GLU 115.A O no hydrogen 2.305 N/A SER 120.A N ASP 116.A O no hydrogen 3.244 N/A SER 120.A OG ASP 116.A O no hydrogen 3.189 N/A SER 120.A OG PHE 117.A O no hydrogen 2.636 N/A VAL 121.A N PHE 117.A O no hydrogen 2.945 N/A GLY 122.A N TYR 119.A O no hydrogen 2.773 N/A LYS 123.A N TYR 118.A O no hydrogen 3.022 N/A LYS 123.A NZ TYR 118.A O no hydrogen 3.283 N/A TYR 124.A OH ASP 116.A OD1 no hydrogen 2.979 N/A SER 127.A N GLN 147.A O no hydrogen 2.743 N/A LYS 129.A NZ GLU 111.A OE1 no hydrogen 3.010 N/A LYS 129.A NZ GLU 111.A OE2 no hydrogen 2.948 N/A ALA 130.A N GLU 111.A OE1 no hydrogen 2.447 N/A VAL 131.A N LYS 143.A O no hydrogen 2.391 N/A THR 133.A N ASP 141.A O no hydrogen 2.722 N/A THR 133.A OG1 VAL 131.A O no hydrogen 3.506 N/A THR 133.A OG1 ASP 141.A O no hydrogen 2.897 N/A THR 133.A OG1 ASP 141.A OD2 no hydrogen 3.172 N/A LEU 135.A N ARG 139.A O no hydrogen 2.487 N/A ARG 137.A NE PRO 136.A O no hydrogen 2.791 N/A ARG 137.A NH2 PRO 136.A O no hydrogen 3.145 N/A ARG 139.A N PRO 136.A O no hydrogen 3.395 N/A ASP 141.A N THR 133.A O no hydrogen 2.337 N/A LEU 142.A N SER 73.A O no hydrogen 3.080 N/A LYS 143.A N VAL 131.A O no hydrogen 2.574 N/A LYS 143.A NZ SER 77.A OG no hydrogen 2.359 N/A VAL 145.A N LYS 129.A O no hydrogen 2.724 N/A GLN 147.A N SER 127.A OG no hydrogen 2.388 N/A VAL 150.A N SER 125.A O no hydrogen 2.827 N/A VAL 150.A N SER 125.A OG no hydrogen 2.982 N/A SER 151.A OG GLY 122.A O no hydrogen 2.385 N/A SER 151.A OG ALA 152.A O no hydrogen 2.960 N/A ALA 152.A N GLY 122.A O no hydrogen 2.375 N/A GLN 155.A N ILE 231.A O no hydrogen 3.113 N/A GLN 156.A N ILE 231.A O no hydrogen 3.013 N/A ASN 158.A N VAL 233.A O no hydrogen 2.420 N/A VAL 160.A N VAL 235.A O no hydrogen 3.007 N/A LEU 170.A N THR 166.A O no hydrogen 3.031 N/A ILE 171.A N THR 167.A O no hydrogen 2.530 N/A SER 172.A N ASP 168.A O no hydrogen 3.026 N/A SER 172.A OG ASP 168.A O no hydrogen 2.255 N/A HIS 173.A N GLU 169.A O no hydrogen 2.768 N/A PHE 174.A N LEU 170.A O no hydrogen 2.699 N/A GLN 175.A N ASP 199.A OD1 no hydrogen 2.781 N/A GLN 175.A N ASP 199.A OD2 no hydrogen 3.405 N/A ARG 177.A NE PHE 174.A O no hydrogen 2.506 N/A ARG 189.A NH2 ILE 154.A O no hydrogen 2.318 N/A LYS 190.A NZ SER 151.A OG no hydrogen 3.248 N/A GLN 192.A NE2 SER 120.A O no hydrogen 3.475 N/A LYS 193.A N GLN 192.A OE1 no hydrogen 2.884 N/A LYS 193.A NZ SER 120.A O no hydrogen 2.633 N/A LYS 193.A NZ GLN 192.A OE1 no hydrogen 2.357 N/A LYS 195.A N GLN 192.A O no hydrogen 2.885 N/A LYS 195.A NZ GLN 175.A O no hydrogen 2.712 N/A ASP 199.A N LYS 195.A O no hydrogen 2.792 N/A LEU 200.A N LEU 196.A O no hydrogen 2.757 N/A LEU 200.A N ALA 197.A O no hydrogen 3.185 N/A GLU 201.A N ALA 197.A O no hydrogen 3.388 N/A GLU 201.A N GLY 198.A O no hydrogen 3.122 N/A THR 202.A N GLY 198.A O no hydrogen 2.797 N/A THR 202.A OG1 GLY 198.A O no hydrogen 2.305 N/A LEU 203.A N ASP 199.A O no hydrogen 3.237 N/A ARG 204.A N LEU 200.A O no hydrogen 3.068 N/A ARG 204.A NE GLU 201.A OE1 no hydrogen 2.432 N/A ARG 204.A NH2 GLU 201.A OE2 no hydrogen 2.769 N/A SER 205.A N GLU 201.A O no hydrogen 2.709 N/A SER 205.A OG GLU 201.A O no hydrogen 2.378 N/A TYR 206.A OH GLU 169.A OE2 no hydrogen 2.303 N/A TYR 207.A N LEU 203.A O no hydrogen 2.815 N/A TYR 207.A N ARG 204.A O no hydrogen 2.879 N/A LEU 208.A N ARG 204.A O no hydrogen 2.635 N/A ASP 209.A N SER 205.A O no hydrogen 2.726 N/A ARG 210.A N TYR 207.A O no hydrogen 3.134 N/A GLY 211.A N LEU 208.A O no hydrogen 3.391 N/A TYR 212.A N TYR 207.A O no hydrogen 2.833 N/A TYR 212.A OH GLU 239.A OE2 no hydrogen 2.804 N/A ARG 214.A N GLY 240.A O no hydrogen 3.269 N/A ARG 214.A NE ASP 307.A OD1 no hydrogen 2.955 N/A ARG 214.A NE ASP 307.A OD2 no hydrogen 2.811 N/A ARG 214.A NH2 ASP 307.A OD1 no hydrogen 2.803 N/A ARG 214.A NH2 ASP 307.A OD2 no hydrogen 2.838 N/A ASN 216.A N THR 238.A O no hydrogen 3.019 N/A ASN 216.A ND2 ARG 214.A O no hydrogen 3.287 N/A SER 219.A N ASN 236.A O no hydrogen 2.861 N/A GLN 221.A N THR 234.A O no hydrogen 2.329 N/A GLN 221.A NE2 SER 219.A OG no hydrogen 2.347 N/A SER 223.A N TYR 232.A O no hydrogen 2.341 N/A SER 223.A OG THR 225.A OG1 no hydrogen 2.308 N/A SER 223.A OG GLY 230.A O no hydrogen 3.367 N/A SER 223.A OG TYR 232.A O no hydrogen 3.318 N/A THR 225.A OG1 SER 223.A OG no hydrogen 2.308 N/A THR 225.A OG1 GLY 230.A O no hydrogen 2.970 N/A ASP 227.A N THR 225.A O no hydrogen 2.604 N/A LYS 229.A N ASP 227.A OD1 no hydrogen 3.196 N/A LYS 229.A NZ GLU 153.A OE1 no hydrogen 2.830 N/A LYS 229.A NZ GLN 155.A OE1 no hydrogen 2.613 N/A GLY 230.A N ASP 227.A OD1 no hydrogen 2.692 N/A TYR 232.A N SER 223.A OG no hydrogen 2.744 N/A VAL 233.A N GLN 156.A OE1 no hydrogen 3.177 N/A THR 234.A N GLN 221.A O no hydrogen 2.607 N/A VAL 235.A N ASN 158.A O no hydrogen 2.766 N/A ASN 236.A N SER 219.A O no hydrogen 2.394 N/A ILE 237.A N VAL 160.A O no hydrogen 3.247 N/A THR 238.A N ASN 216.A O no hydrogen 2.459 N/A THR 238.A OG1 ASN 216.A OD1 no hydrogen 3.073 N/A THR 238.A OG1 ASP 218.A OD1 no hydrogen 2.344 N/A THR 238.A OG1 ASP 218.A OD2 no hydrogen 3.275 N/A TYR 243.A N GLY 211.A O no hydrogen 2.502 N/A TYR 243.A OH ASP 241.A OD1 no hydrogen 2.492 N/A LYS 244.A N LYS 310.A O no hydrogen 2.965 N/A LYS 244.A NZ LYS 310.A O no hydrogen 3.302 N/A LEU 245.A N GLU 271.A O no hydrogen 2.626 N/A SER 246.A N VAL 312.A O no hydrogen 2.628 N/A SER 246.A OG LYS 244.A O no hydrogen 2.906 N/A GLU 249.A N LEU 314.A O no hydrogen 2.551 N/A SER 251.A N VAL 316.A O no hydrogen 2.682 N/A SER 251.A OG GLU 249.A O no hydrogen 3.484 N/A ASN 253.A ND2 ASP 319.A OD1 no hydrogen 2.821 N/A HIS 257.A N LEU 254.A O no hydrogen 2.952 N/A HIS 257.A NE2 TYR 294.A OH no hydrogen 2.936 N/A GLU 260.A N GLU 260.A OE1 no hydrogen 2.617 N/A ILE 261.A N HIS 257.A O no hydrogen 2.756 N/A GLU 262.A N SER 258.A O no hydrogen 2.619 N/A GLN 263.A N ALA 259.A O no hydrogen 2.855 N/A GLN 263.A NE2 ALA 259.A O no hydrogen 2.393 N/A LEU 264.A N GLU 260.A O no hydrogen 3.337 N/A THR 265.A N ILE 261.A O no hydrogen 2.928 N/A THR 265.A N GLU 262.A O no hydrogen 3.212 N/A THR 265.A OG1 ILE 261.A O no hydrogen 3.535 N/A THR 265.A OG1 GLU 262.A O no hydrogen 3.236 N/A THR 265.A OG1 GLU 262.A OE1 no hydrogen 2.785 N/A LYS 266.A N GLN 263.A O no hydrogen 3.315 N/A LYS 266.A NZ GLU 262.A O no hydrogen 2.831 N/A LYS 266.A NZ GLN 263.A OE1 no hydrogen 3.105 N/A GLY 270.A N LEU 245.A O no hydrogen 2.441 N/A TYR 273.A N TYR 243.A O no hydrogen 2.553 N/A LYS 277.A N ASN 274.A OD1 no hydrogen 2.695 N/A LYS 277.A NZ GLU 271.A OE2 no hydrogen 2.440 N/A VAL 278.A N ASN 274.A O no hydrogen 2.906 N/A THR 279.A N GLY 275.A O no hydrogen 2.559 N/A THR 279.A OG1 GLY 275.A O no hydrogen 2.400 N/A LYS 280.A N THR 276.A O no hydrogen 3.091 N/A LYS 280.A NZ LYS 277.A O no hydrogen 2.671 N/A MET 281.A N LYS 277.A O no hydrogen 3.100 N/A GLU 282.A N VAL 278.A O no hydrogen 3.209 N/A ASP 284.A N LYS 280.A O no hydrogen 2.895 N/A ILE 285.A N MET 281.A O no hydrogen 3.340 N/A LYS 286.A N GLU 282.A O no hydrogen 2.751 N/A LYS 286.A NZ ASP 283.A OD1 no hydrogen 3.557 N/A LYS 286.A NZ VAL 299.A O no hydrogen 2.851 N/A LYS 287.A N ASP 283.A O no hydrogen 2.537 N/A LYS 287.A NZ ASP 360.A OD2 no hydrogen 3.550 N/A LEU 288.A N ASP 284.A O no hydrogen 2.491 N/A LEU 289.A N ILE 285.A O no hydrogen 2.585 N/A GLY 290.A N LYS 286.A O no hydrogen 2.878 N/A ARG 291.A N LYS 287.A O no hydrogen 2.378 N/A ARG 291.A NE LYS 287.A O no hydrogen 2.472 N/A ARG 291.A NH2 ASP 284.A O no hydrogen 3.420 N/A TYR 292.A N LEU 288.A O no hydrogen 2.908 N/A TYR 294.A OH HIS 257.A NE2 no hydrogen 2.936 N/A ARG 298.A N TYR 296.A O no hydrogen 2.930 N/A GLN 300.A N ASN 317.A O no hydrogen 2.596 N/A GLN 300.A NE2 ASN 317.A OD1 no hydrogen 2.335 N/A SER 301.A OG ARG 315.A O no hydrogen 2.340 N/A MET 302.A N ARG 315.A O no hydrogen 2.351 N/A GLU 304.A N LYS 313.A O no hydrogen 2.365 N/A ALA 308.A N ASN 306.A OD1 no hydrogen 3.233 N/A ASP 309.A N ASP 309.A OD1 no hydrogen 2.377 N/A LYS 310.A NZ ASP 241.A O no hydrogen 2.651 N/A LYS 310.A NZ GLN 242.A O no hydrogen 3.441 N/A THR 311.A N ASN 306.A O no hydrogen 2.383 N/A THR 311.A OG1 ASN 306.A O no hydrogen 3.567 N/A THR 311.A OG1 ASP 309.A OD1 no hydrogen 2.883 N/A THR 311.A OG1 ASP 309.A OD2 no hydrogen 2.766 N/A VAL 312.A N LYS 244.A O no hydrogen 2.377 N/A LYS 313.A N GLU 304.A O no hydrogen 2.556 N/A LYS 313.A NZ ASP 309.A OD2 no hydrogen 2.537 N/A LYS 313.A NZ THR 311.A OG1 no hydrogen 2.306 N/A LEU 314.A N GLY 247.A O no hydrogen 2.350 N/A ASN 317.A N GLN 300.A O no hydrogen 2.402 N/A VAL 318.A N SER 251.A O no hydrogen 2.728 N/A ASP 319.A N ARG 298.A O no hydrogen 2.366 N/A ARG 323.A N ASN 322.A OD1 no hydrogen 2.781 N/A ARG 323.A NE TYR 292.A O no hydrogen 2.719 N/A PHE 324.A N ASP 387.A OD2 no hydrogen 3.024 N/A TYR 325.A N ARG 323.A O no hydrogen 2.686 N/A ARG 327.A N VAL 389.A O no hydrogen 3.247 N/A LYS 328.A N ASP 390.A OD1 no hydrogen 2.814 N/A ILE 329.A N GLU 350.A OE2 no hydrogen 2.819 N/A ARG 330.A N VAL 391.A O no hydrogen 2.395 N/A GLU 332.A N TYR 393.A O no hydrogen 3.053 N/A ASN 334.A ND2 SER 337.A O no hydrogen 3.686 N/A SER 337.A OG LYS 338.A O no hydrogen 3.503 N/A SER 337.A OG GLY 428.A O no hydrogen 2.767 N/A LYS 338.A N GLY 428.A O no hydrogen 2.962 N/A LEU 342.A N ASP 339.A O no hydrogen 3.087 N/A ARG 343.A N ASP 339.A O no hydrogen 3.089 N/A ARG 344.A N ALA 340.A O no hydrogen 2.728 N/A ARG 344.A NE ALA 340.A O no hydrogen 2.691 N/A GLU 345.A N LEU 342.A O no hydrogen 2.987 N/A GLN 348.A NE2 MET 349.A O no hydrogen 2.636 N/A GLY 351.A N ARG 327.A O no hydrogen 3.362 N/A ALA 352.A N VAL 326.A O no hydrogen 3.328 N/A LEU 354.A N ARG 323.A O no hydrogen 3.268 N/A GLY 355.A N GLN 348.A OE1 no hydrogen 2.606 N/A SER 356.A OG LYS 287.A O no hydrogen 3.531 N/A LEU 358.A N GLY 355.A O no hydrogen 3.215 N/A GLN 361.A N ASP 357.A O no hydrogen 2.535 N/A GLY 362.A N LEU 358.A O no hydrogen 2.729 N/A LYS 363.A N VAL 359.A O no hydrogen 2.786 N/A LYS 363.A NZ ASP 360.A OD1 no hydrogen 3.370 N/A GLU 364.A N ASP 360.A O no hydrogen 2.426 N/A ARG 365.A N GLN 361.A O no hydrogen 2.786 N/A ARG 365.A NH2 TYR 454.A OH no hydrogen 3.250 N/A LEU 366.A N GLY 362.A O no hydrogen 2.787 N/A ASN 367.A N LYS 363.A O no hydrogen 2.416 N/A ARG 368.A N GLU 364.A O no hydrogen 2.567 N/A ARG 368.A NE GLU 364.A O no hydrogen 3.195 N/A ARG 368.A NH1 ASN 556.A O no hydrogen 2.424 N/A LEU 369.A N LEU 366.A O no hydrogen 3.289 N/A GLU 373.A N LYS 396.A O no hydrogen 2.432 N/A THR 374.A N LYS 396.A O no hydrogen 2.919 N/A THR 374.A OG1 ASP 376.A OD1 no hydrogen 2.854 N/A THR 377.A OG1 VAL 392.A O no hydrogen 2.282 N/A ASP 378.A N VAL 392.A O no hydrogen 2.379 N/A GLN 380.A N GLN 380.A OE1 no hydrogen 2.923 N/A ARG 381.A NH1 SER 385.A O no hydrogen 3.010 N/A ARG 381.A NH2 SER 385.A O no hydrogen 2.563 N/A ASP 387.A N SER 385.A OG no hydrogen 3.348 N/A GLN 388.A N SER 385.A O no hydrogen 3.294 N/A VAL 389.A N TYR 325.A O no hydrogen 2.482 N/A ASP 390.A N GLN 380.A O no hydrogen 2.524 N/A VAL 392.A N GLN 380.A OE1 no hydrogen 2.798 N/A TYR 393.A N ARG 330.A O no hydrogen 2.385 N/A LYS 394.A NZ THR 377.A O no hydrogen 2.424 N/A VAL 395.A N GLU 332.A O no hydrogen 3.130 N/A LYS 396.A N THR 374.A O no hydrogen 3.211 N/A LYS 396.A N THR 374.A OG1 no hydrogen 2.639 N/A ARG 398.A N PHE 371.A O no hydrogen 3.434 N/A GLY 401.A N ASP 424.A OD2 no hydrogen 2.389 N/A ASN 404.A N GLY 420.A O no hydrogen 2.592 N/A THR 411.A OG1 GLY 410.A O no hydrogen 2.623 N/A SER 416.A OG ASP 441.A OD1 no hydrogen 3.363 N/A PHE 417.A N ASN 440.A OD1 no hydrogen 2.736 N/A GLN 418.A NE2 ASN 404.A O no hydrogen 2.586 N/A ALA 419.A N GLY 437.A O no hydrogen 2.983 N/A VAL 421.A N ILE 435.A O no hydrogen 2.846 N/A GLN 423.A N VAL 433.A O no hydrogen 2.439 N/A THR 429.A N TRP 426.A O no hydrogen 3.023 N/A THR 429.A OG1 ASN 425.A O no hydrogen 2.933 N/A THR 429.A OG1 TRP 426.A O no hydrogen 2.483 N/A GLY 430.A N ASN 425.A O no hydrogen 2.848 N/A TYR 431.A N ASN 425.A O no hydrogen 2.693 N/A GLY 434.A N SER 449.A O no hydrogen 2.878 N/A ILE 435.A N VAL 421.A O no hydrogen 2.795 N/A ASN 436.A N GLU 447.A OE1 no hydrogen 3.470 N/A THR 438.A N TYR 445.A O no hydrogen 3.003 N/A THR 438.A OG1 PHE 417.A O no hydrogen 2.341 N/A ASN 440.A N GLN 443.A O no hydrogen 2.449 N/A ASP 441.A N SER 416.A OG no hydrogen 3.268 N/A TYR 442.A OH ASP 480.A OD2 no hydrogen 2.807 N/A GLN 443.A NE2 THR 438.A OG1 no hydrogen 2.547 N/A THR 444.A N ASP 470.A O no hydrogen 2.462 N/A THR 444.A OG1 ASP 470.A OD2 no hydrogen 3.484 N/A TYR 445.A N THR 438.A O no hydrogen 2.353 N/A ALA 446.A N TYR 468.A O no hydrogen 2.554 N/A LEU 448.A N LEU 466.A O no hydrogen 3.153 N/A SER 449.A OG GLY 434.A O no hydrogen 2.280 N/A VAL 450.A N GLY 464.A O no hydrogen 2.641 N/A THR 451.A N ALA 432.A O no hydrogen 3.156 N/A THR 451.A OG1 SER 461.A OG no hydrogen 2.649 N/A ASN 452.A N LEU 462.A O no hydrogen 2.948 N/A PHE 455.A N ASN 452.A O no hydrogen 3.064 N/A PHE 455.A N VAL 460.A O no hydrogen 2.495 N/A THR 456.A OG1 ASP 458.A OD2 no hydrogen 2.201 N/A GLY 459.A N THR 456.A O no hydrogen 3.094 N/A VAL 460.A N ASP 458.A OD2 no hydrogen 2.725 N/A SER 461.A OG THR 451.A OG1 no hydrogen 2.649 N/A LEU 462.A N ASN 452.A O no hydrogen 2.536 N/A GLY 463.A N THR 491.A O no hydrogen 2.964 N/A GLY 464.A N VAL 450.A O no hydrogen 2.526 N/A ARG 465.A N ASP 489.A O no hydrogen 2.423 N/A ARG 465.A NE GLU 447.A OE2 no hydrogen 3.093 N/A LEU 466.A N LEU 448.A O no hydrogen 2.817 N/A PHE 467.A N GLY 487.A O no hydrogen 2.554 N/A TYR 468.A N ALA 446.A O no hydrogen 2.828 N/A ASP 470.A N THR 444.A O no hydrogen 2.601 N/A PHE 471.A N ASN 483.A O no hydrogen 2.842 N/A ASP 475.A N LEU 478.A O no hydrogen 3.076 N/A ALA 476.A N LEU 478.A O no hydrogen 3.062 N/A ASP 477.A N ASP 474.A OD1 no hydrogen 2.546 N/A SER 479.A OG SER 657.A O no hydrogen 2.600 N/A SER 479.A OG SER 657.A OG no hydrogen 2.966 N/A SER 479.A OG ASN 658.A O no hydrogen 2.724 N/A SER 479.A OG TYR 659.A O no hydrogen 2.745 N/A TYR 481.A N ALA 473.A O no hydrogen 3.451 N/A THR 482.A N SER 514.A O no hydrogen 3.069 N/A ASN 483.A N PHE 471.A O no hydrogen 2.894 N/A LYS 484.A N SER 512.A O no hydrogen 2.972 N/A SER 485.A N ASN 469.A O no hydrogen 2.368 N/A GLY 487.A N PHE 467.A O no hydrogen 2.752 N/A THR 488.A OG1 ARG 465.A O no hydrogen 2.808 N/A ASP 489.A N ARG 465.A O no hydrogen 2.381 N/A THR 491.A N GLY 463.A O no hydrogen 2.863 N/A THR 491.A OG1 ASP 489.A OD1 no hydrogen 2.317 N/A LEU 492.A N ALA 504.A O no hydrogen 3.203 N/A GLY 493.A N SER 461.A O no hydrogen 3.296 N/A PHE 494.A N LEU 502.A O no hydrogen 3.047 N/A ILE 496.A N ASN 500.A O no hydrogen 2.941 N/A ASN 497.A N ASN 500.A O no hydrogen 2.935 N/A SER 501.A OG THR 554.A O no hydrogen 2.599 N/A LEU 502.A N PHE 494.A O no hydrogen 3.201 N/A ARG 503.A N GLY 552.A O no hydrogen 2.522 N/A ARG 503.A NH2 TRP 553.A O no hydrogen 2.360 N/A GLY 505.A N ASN 550.A O no hydrogen 2.758 N/A GLY 507.A N THR 548.A O no hydrogen 3.200 N/A TYR 508.A OH ASP 545.A OD2 no hydrogen 2.746 N/A VAL 509.A N ASP 546.A O no hydrogen 3.418 N/A HIS 510.A N TYR 486.A O no hydrogen 3.142 N/A SER 512.A N ASN 483.A OD1 no hydrogen 2.764 N/A SER 512.A OG LYS 484.A O no hydrogen 2.294 N/A LEU 513.A N PHE 542.A O no hydrogen 2.460 N/A SER 514.A N THR 482.A O no hydrogen 3.237 N/A SER 514.A OG ASN 515.A OD1 no hydrogen 2.523 N/A ASN 515.A ND2 SER 657.A O no hydrogen 3.210 N/A GLN 517.A NE2 ASP 480.A O no hydrogen 2.799 N/A VAL 520.A N VAL 650.A O no hydrogen 3.185 N/A MET 522.A N GLN 519.A O no hydrogen 2.937 N/A TRP 523.A N GLN 519.A O no hydrogen 3.385 N/A TRP 523.A NE1 GLN 517.A O no hydrogen 2.257 N/A ARG 524.A N VAL 520.A O no hydrogen 2.378 N/A TYR 525.A N ALA 521.A O no hydrogen 3.220 N/A LEU 526.A N MET 522.A O no hydrogen 2.406 N/A TYR 527.A N TRP 523.A O no hydrogen 2.478 N/A SER 528.A N ARG 524.A O no hydrogen 2.987 N/A SER 528.A OG TYR 525.A O no hydrogen 2.426 N/A SER 528.A OG GLU 622.A OE2 no hydrogen 3.277 N/A MET 529.A N TYR 525.A O no hydrogen 2.711 N/A GLY 530.A N TYR 527.A O no hydrogen 3.001 N/A GLU 531.A N LEU 526.A O no hydrogen 2.743 N/A SER 534.A OG ASP 539.A OD1 no hydrogen 2.967 N/A SER 534.A OG ASP 539.A OD2 no hydrogen 2.493 N/A SER 536.A OG PRO 653.A O no hydrogen 3.266 N/A ASP 539.A N ASP 539.A OD1 no hydrogen 2.405 N/A ASN 540.A ND2 SER 534.A O no hydrogen 2.428 N/A SER 541.A OG LEU 513.A O no hydrogen 2.244 N/A PHE 542.A N LEU 513.A O no hydrogen 3.159 N/A LYS 543.A NZ LEU 513.A O no hydrogen 2.838 N/A THR 544.A N ASN 511.A O no hydrogen 2.976 N/A THR 544.A OG1 ASP 546.A OD1 no hydrogen 2.712 N/A ASP 545.A N ASP 582.A OD2 no hydrogen 2.840 N/A THR 548.A OG1 ASN 550.A OD1 no hydrogen 3.537 N/A PHE 549.A N VAL 576.A O no hydrogen 2.396 N/A ASN 550.A N GLY 505.A O no hydrogen 2.539 N/A TYR 551.A N GLY 574.A O no hydrogen 2.893 N/A GLY 552.A N ARG 503.A O no hydrogen 2.484 N/A TRP 553.A N LEU 572.A O no hydrogen 2.603 N/A THR 554.A N SER 501.A O no hydrogen 2.362 N/A TYR 555.A N VAL 570.A O no hydrogen 2.909 N/A ASN 556.A N TYR 499.A O no hydrogen 2.606 N/A LYS 557.A N SER 568.A O no hydrogen 3.292 N/A ARG 560.A NE PHE 563.A O no hydrogen 2.440 N/A THR 565.A N ASP 559.A OD2 no hydrogen 3.288 N/A GLY 567.A N TYR 595.A O no hydrogen 2.867 N/A ARG 569.A NE ASN 556.A OD1 no hydrogen 2.558 N/A ARG 569.A NH1 ARG 560.A O no hydrogen 2.486 N/A ARG 569.A NH2 ARG 560.A O no hydrogen 2.940 N/A ASN 571.A N ASP 591.A O no hydrogen 3.323 N/A LEU 572.A N TRP 553.A O no hydrogen 2.935 N/A THR 573.A N THR 589.A O no hydrogen 3.492 N/A GLY 574.A N TYR 551.A O no hydrogen 2.709 N/A LYS 575.A N LYS 587.A O no hydrogen 2.447 N/A VAL 576.A N PHE 549.A O no hydrogen 3.019 N/A THR 577.A N TYR 585.A O no hydrogen 3.010 N/A THR 577.A OG1 ASN 583.A O no hydrogen 3.535 N/A THR 577.A OG1 GLU 584.A OE2 no hydrogen 2.834 N/A THR 577.A OG1 TYR 585.A O no hydrogen 3.223 N/A ILE 578.A N PHE 547.A O no hydrogen 3.180 N/A SER 581.A N ILE 578.A O no hydrogen 3.069 N/A SER 581.A OG ASN 583.A O no hydrogen 2.395 N/A ASP 582.A N ASP 545.A O no hydrogen 3.272 N/A ASN 583.A N SER 581.A OG no hydrogen 2.991 N/A ASN 583.A ND2 GLU 622.A O no hydrogen 2.611 N/A TYR 585.A N THR 577.A OG1 no hydrogen 3.028 N/A TYR 585.A OH ASP 546.A OD2 no hydrogen 3.252 N/A TYR 586.A N ASP 616.A O no hydrogen 2.757 N/A LYS 587.A N LYS 575.A O no hydrogen 2.657 N/A VAL 588.A N TYR 614.A O no hydrogen 2.561 N/A THR 589.A N THR 573.A O no hydrogen 3.008 N/A THR 589.A OG1 TRP 612.A O no hydrogen 2.218 N/A LEU 590.A N TRP 612.A O no hydrogen 3.218 N/A ASP 591.A N ASN 571.A O no hydrogen 3.127 N/A THR 592.A N THR 610.A O no hydrogen 2.880 N/A THR 592.A OG1 THR 610.A O no hydrogen 3.511 N/A THR 592.A OG1 THR 610.A OG1 no hydrogen 2.474 N/A THR 594.A N GLY 608.A O no hydrogen 3.096 N/A TYR 595.A N GLY 567.A O no hydrogen 2.582 N/A VAL 596.A N VAL 606.A O no hydrogen 2.751 N/A ASP 599.A N TRP 604.A O no hydrogen 2.543 N/A ASP 601.A N ASP 599.A OD1 no hydrogen 2.932 N/A HIS 602.A N ASP 599.A O no hydrogen 2.845 N/A LYS 603.A N ASP 599.A OD2 no hydrogen 2.658 N/A LYS 603.A NZ ASP 599.A OD2 no hydrogen 2.534 N/A LYS 603.A NZ ASP 601.A OD2 no hydrogen 3.336 N/A VAL 606.A N VAL 596.A O no hydrogen 2.422 N/A LEU 607.A N GLU 694.A O no hydrogen 2.461 N/A GLY 608.A N THR 594.A O no hydrogen 3.115 N/A ARG 609.A N SER 692.A O no hydrogen 2.605 N/A THR 610.A N THR 592.A O no hydrogen 3.120 N/A THR 610.A N THR 592.A OG1 no hydrogen 3.098 N/A THR 610.A OG1 THR 592.A OG1 no hydrogen 2.474 N/A ARG 611.A N VAL 690.A O no hydrogen 2.400 N/A TRP 612.A N LEU 590.A O no hydrogen 2.761 N/A GLY 613.A N MET 688.A O no hydrogen 3.151 N/A TYR 614.A N VAL 588.A O no hydrogen 2.699 N/A TYR 614.A OH THR 724.A OG1 no hydrogen 2.354 N/A GLY 615.A N ASN 686.A O no hydrogen 3.121 N/A LEU 618.A N GLU 584.A O no hydrogen 3.043 N/A LYS 621.A NZ MET 529.A O no hydrogen 2.961 N/A GLU 627.A N PRO 624.A O no hydrogen 2.982 N/A ASN 628.A N PHE 625.A O no hydrogen 3.227 N/A ASN 628.A ND2 GLY 684.A O no hydrogen 2.802 N/A PHE 629.A N GLY 685.A O no hydrogen 3.142 N/A GLY 632.A N SER 635.A OG no hydrogen 2.487 N/A SER 634.A OG ASN 782.A OD1 no hydrogen 2.555 N/A SER 635.A N GLY 632.A O no hydrogen 3.397 N/A SER 635.A OG VAL 637.A O no hydrogen 3.274 N/A VAL 637.A N SER 635.A OG no hydrogen 3.366 N/A ARG 638.A NE SER 634.A O no hydrogen 3.207 N/A ARG 638.A NE SER 635.A O no hydrogen 3.107 N/A ARG 638.A NH2 SER 634.A O no hydrogen 2.392 N/A GLN 641.A N LYS 775.A O no hydrogen 2.480 N/A THR 644.A N ALA 631.A O no hydrogen 2.975 N/A THR 644.A OG1 GLN 641.A O no hydrogen 2.363 N/A THR 644.A OG1 LYS 775.A O no hydrogen 3.139 N/A ILE 645.A N ALA 631.A O no hydrogen 3.083 N/A LYS 648.A NZ THR 644.A O no hydrogen 2.695 N/A LYS 648.A NZ ASP 680.A O no hydrogen 2.903 N/A LYS 648.A NZ GLY 773.A O no hydrogen 2.495 N/A PHE 652.A N PRO 518.A O no hydrogen 2.651 N/A HIS 654.A N ALA 668.A O no hydrogen 3.154 N/A GLN 655.A N SER 536.A O no hydrogen 2.505 N/A SER 657.A OG SER 479.A O no hydrogen 2.365 N/A SER 657.A OG SER 479.A OG no hydrogen 2.966 N/A SER 657.A OG SER 657.A O no hydrogen 2.239 N/A CYS 667.A SG HIS 654.A ND1 no hydrogen 3.432 N/A CYS 667.A SG ASP 660.A OD1 no hydrogen 3.785 N/A CYS 667.A SG TYR 665.A O no hydrogen 3.463 N/A THR 669.A OG1 GLN 655.A O no hydrogen 2.436 N/A GLN 670.A NE2 ASP 671.A OD2 no hydrogen 3.569 N/A LYS 674.A NZ ASP 675.A OD1 no hydrogen 3.121 N/A LYS 674.A NZ ASP 675.A OD2 no hydrogen 2.827 N/A ASP 675.A N ALA 668.A O no hydrogen 3.112 N/A CYS 677.A SG LYS 678.A O no hydrogen 3.584 N/A LYS 678.A NZ ALA 649.A O no hydrogen 2.854 N/A LYS 678.A NZ SER 679.A O no hydrogen 3.051 N/A SER 679.A N ALA 649.A O no hydrogen 2.743 N/A SER 679.A OG GLN 519.A OE1 no hydrogen 2.343 N/A ALA 682.A N ASN 643.A O no hydrogen 3.206 N/A VAL 683.A N PRO 647.A O no hydrogen 2.577 N/A ASN 686.A ND2 ASP 616.A OD2 no hydrogen 3.319 N/A ASN 686.A ND2 THR 724.A OG1 no hydrogen 2.537 N/A ALA 687.A N TRP 722.A O no hydrogen 3.114 N/A MET 688.A N GLY 613.A O no hydrogen 2.516 N/A ALA 689.A N THR 720.A O no hydrogen 3.313 N/A VAL 690.A N ARG 611.A O no hydrogen 2.852 N/A SER 692.A N ARG 609.A O no hydrogen 2.417 N/A SER 692.A OG ARG 609.A O no hydrogen 2.976 N/A GLU 694.A N LEU 607.A O no hydrogen 2.781 N/A PHE 695.A N SER 713.A OG no hydrogen 2.653 N/A ILE 696.A N VAL 605.A O no hydrogen 3.021 N/A THR 697.A N THR 712.A O no hydrogen 2.831 N/A THR 697.A OG1 THR 712.A O no hydrogen 2.634 N/A TYR 706.A N SER 703.A O no hydrogen 3.282 N/A ALA 707.A N SER 703.A O no hydrogen 3.252 N/A ASN 708.A ND2 LYS 705.A O no hydrogen 3.098 N/A SER 709.A OG SER 709.A O no hydrogen 2.330 N/A VAL 710.A N ALA 707.A O no hydrogen 3.100 N/A ARG 711.A N GLN 752.A OE1 no hydrogen 2.492 N/A THR 712.A OG1 THR 697.A O no hydrogen 2.867 N/A THR 712.A OG1 THR 697.A OG1 no hydrogen 2.386 N/A SER 713.A N ALA 750.A O no hydrogen 3.387 N/A SER 713.A OG GLU 694.A OE2 no hydrogen 3.033 N/A SER 713.A OG PHE 695.A O no hydrogen 2.592 N/A SER 713.A OG PHE 714.A O no hydrogen 3.292 N/A PHE 714.A N PHE 695.A O no hydrogen 3.448 N/A PHE 715.A N GLY 748.A O no hydrogen 2.853 N/A ASP 717.A N SER 746.A O no hydrogen 2.393 N/A GLY 719.A N ARG 744.A O no hydrogen 3.415 N/A THR 720.A N ALA 689.A O no hydrogen 3.046 N/A THR 720.A OG1 PRO 740.A O no hydrogen 2.508 N/A ASP 723.A N TYR 737.A O no hydrogen 2.899 N/A THR 724.A N ASN 686.A OD1 no hydrogen 2.375 N/A THR 724.A OG1 TYR 614.A OH no hydrogen 2.354 N/A ASN 725.A N ASP 723.A OD1 no hydrogen 2.818 N/A ASN 725.A ND2 ASP 616.A OD2 no hydrogen 2.605 N/A TRP 726.A N ASP 723.A O no hydrogen 3.340 N/A SER 728.A OG SER 738.A OG no hydrogen 3.339 N/A SER 729.A N ASP 727.A OD1 no hydrogen 3.136 N/A SER 729.A OG ASP 727.A OD1 no hydrogen 3.046 N/A SER 729.A OG ASP 727.A OD2 no hydrogen 2.487 N/A SER 729.A OG GLN 730.A OE1 no hydrogen 3.516 N/A GLN 730.A N ASP 727.A OD2 no hydrogen 2.558 N/A SER 732.A OG SER 729.A O no hydrogen 2.738 N/A TYR 737.A OH ASP 772.A O no hydrogen 3.008 N/A SER 738.A OG TRP 726.A O no hydrogen 2.833 N/A SER 738.A OG SER 728.A OG no hydrogen 3.339 N/A ASN 742.A N THR 720.A OG1 no hydrogen 3.007 N/A ASN 742.A N PRO 740.A O no hydrogen 2.731 N/A ASN 742.A ND2 ASP 739.A OD1 no hydrogen 2.914 N/A ARG 744.A N GLY 719.A O no hydrogen 2.459 N/A ARG 744.A NE ASP 774.A OD1 no hydrogen 2.920 N/A ARG 744.A NH1 ASN 742.A O no hydrogen 2.589 N/A ARG 744.A NH2 GLY 646.A O no hydrogen 3.159 N/A ARG 744.A NH2 TYR 737.A OH no hydrogen 2.385 N/A ARG 744.A NH2 ASP 774.A OD1 no hydrogen 2.819 N/A MET 745.A N LYS 769.A O no hydrogen 2.497 N/A SER 746.A OG ARG 638.A O no hydrogen 2.649 N/A ALA 747.A N GLN 766.A O no hydrogen 2.901 N/A GLY 748.A N PHE 715.A O no hydrogen 3.021 N/A ILE 749.A N TYR 764.A O no hydrogen 3.228 N/A ALA 750.A N SER 713.A O no hydrogen 3.008 N/A LEU 751.A N PHE 762.A O no hydrogen 2.579 N/A GLN 752.A N ARG 711.A O no hydrogen 3.461 N/A GLN 752.A NE2 SER 709.A O no hydrogen 2.514 N/A TRP 753.A N LEU 760.A O no hydrogen 2.427 N/A SER 755.A N GLY 758.A O no hydrogen 3.166 N/A SER 755.A OG GLY 758.A O no hydrogen 2.241 N/A LEU 760.A N TRP 753.A O no hydrogen 2.366 N/A VAL 761.A N ILE 783.A O no hydrogen 2.631 N/A PHE 762.A N LEU 751.A O no hydrogen 2.687 N/A SER 763.A N GLN 780.A O no hydrogen 2.992 N/A TYR 764.A N ILE 749.A O no hydrogen 3.173 N/A TYR 764.A OH GLN 778.A OE1 no hydrogen 2.812 N/A ALA 765.A N GLN 778.A O no hydrogen 3.160 N/A GLN 766.A N ALA 747.A O no hydrogen 2.490 N/A LYS 769.A NZ LYS 770.A O no hydrogen 3.367 N/A LYS 770.A NZ ASP 774.A O no hydrogen 3.152 N/A ASP 774.A N TYR 771.A O no hydrogen 3.449 N/A LYS 775.A NZ ASP 680.A O no hydrogen 2.561 N/A GLU 777.A N PHE 640.A O no hydrogen 2.926 N/A PHE 779.A N GLU 777.A OE1 no hydrogen 3.051 N/A GLN 780.A N SER 763.A O no hydrogen 3.077 N/A GLN 780.A NE2 SER 763.A OG no hydrogen 2.597 N/A ASN 782.A N VAL 761.A O no hydrogen 2.968 N/A