Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6soh_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 2.A N ASP 59.A OD2 no hydrogen 3.286 N/A HIS 7.A ND1 LEU 61.A O no hydrogen 2.801 N/A ALA 19.A N ALA 15.A O no hydrogen 2.890 N/A LEU 20.A N VAL 16.A O no hydrogen 3.220 N/A LEU 21.A N GLY 17.A O no hydrogen 3.245 N/A SER 22.A OG ALA 42.A O no hydrogen 2.693 N/A MET 23.A N LEU 20.A O no hydrogen 2.957 N/A ARG 26.A NE LEU 20.A O no hydrogen 3.425 N/A ARG 26.A NH2 LEU 21.A O no hydrogen 2.374 N/A ASP 29.A N ARG 26.A O no hydrogen 2.899 N/A VAL 31.A N PHE 1.A O no hydrogen 2.724 N/A ILE 36.A N ASN 32.A O no hydrogen 2.827 N/A SER 37.A N ASP 33.A O no hydrogen 3.242 N/A SER 37.A OG ASP 33.A O no hydrogen 3.355 N/A SER 37.A OG GLU 34.A O no hydrogen 2.671 N/A ASN 38.A N GLU 34.A O no hydrogen 2.392 N/A THR 39.A N ASP 35.A O no hydrogen 2.869 N/A THR 39.A OG1 ASP 35.A O no hydrogen 2.272 N/A ILE 40.A N ILE 36.A O no hydrogen 3.199 N/A ILE 40.A N SER 37.A O no hydrogen 3.144 N/A ARG 41.A N SER 37.A O no hydrogen 3.295 N/A ALA 42.A N ASN 38.A O no hydrogen 3.090 N/A LEU 43.A N THR 39.A O no hydrogen 3.219 N/A PHE 44.A N ILE 40.A O no hydrogen 3.054 N/A ALA 45.A N ARG 41.A O no hydrogen 2.633 N/A THR 46.A N LEU 43.A O no hydrogen 3.313 N/A THR 46.A OG1 LEU 43.A O no hydrogen 2.311 N/A GLY 47.A N PHE 44.A O no hydrogen 3.048 N/A ASN 48.A N THR 46.A OG1 no hydrogen 3.325 N/A ASN 48.A ND2 THR 46.A O no hydrogen 2.664 N/A GLU 50.A N LYS 66.A O no hydrogen 2.434 N/A ASP 51.A N LYS 66.A O no hydrogen 3.108 N/A ARG 53.A N GLN 64.A O no hydrogen 2.869 N/A ARG 53.A NE GLN 64.A O no hydrogen 2.534 N/A LEU 55.A N LEU 62.A O no hydrogen 2.685 N/A ASP 57.A N THR 60.A O no hydrogen 2.404 N/A THR 60.A N ASP 57.A O no hydrogen 3.067 N/A THR 60.A OG1 ASP 57.A O no hydrogen 3.483 N/A LEU 62.A N LEU 55.A O no hydrogen 2.555 N/A VAL 63.A N HIS 7.A O no hydrogen 3.387 N/A GLN 64.A N ARG 53.A O no hydrogen 2.926 N/A LYS 66.A N ASP 51.A OD1 no hydrogen 2.369 N/A LYS 66.A NZ GLU 50.A OE1 no hydrogen 2.729 N/A LYS 66.A NZ GLU 67.A O no hydrogen 3.051 N/A LYS 66.A NZ ASN 138.A O no hydrogen 3.168 N/A ARG 68.A NH2 PHE 44.A O no hydrogen 3.142 N/A ILE 71.A N GLU 100.A O no hydrogen 2.961 N/A ALA 72.A N VAL 140.A O no hydrogen 2.579 N/A SER 73.A N VAL 140.A O no hydrogen 3.481 N/A SER 73.A OG ASP 141.A OD1 no hydrogen 2.477 N/A THR 75.A N LEU 142.A O no hydrogen 2.671 N/A THR 75.A OG1 ASP 141.A OD1 no hydrogen 2.446 N/A THR 75.A OG1 ASP 141.A OD2 no hydrogen 3.259 N/A SER 77.A OG LEU 144.A O no hydrogen 2.974 N/A VAL 82.A N ASN 79.A O no hydrogen 2.942 N/A LEU 87.A N LYS 83.A O no hydrogen 3.443 N/A LYS 88.A N ASP 84.A O no hydrogen 2.570 N/A GLN 89.A N ASP 85.A O no hydrogen 2.400 N/A ASN 90.A N MET 86.A O no hydrogen 3.282 N/A LEU 91.A N LEU 87.A O no hydrogen 3.199 N/A GLU 92.A N LYS 88.A O no hydrogen 2.380 N/A ALA 93.A N GLN 89.A O no hydrogen 2.457 N/A SER 94.A N ASN 90.A O no hydrogen 2.716 N/A SER 94.A OG ASN 90.A O no hydrogen 2.897 N/A GLY 95.A N GLU 92.A O no hydrogen 3.118 N/A VAL 96.A N LEU 91.A O no hydrogen 2.819 N/A ARG 97.A NH1 GLY 95.A O no hydrogen 2.817 N/A GLY 99.A N ILE 71.A O no hydrogen 2.357 N/A SER 101.A OG GLY 47.A O no hydrogen 3.367 N/A SER 101.A OG GLU 100.A OE2 no hydrogen 3.120 N/A LEU 102.A N ARG 68.A O no hydrogen 2.634 N/A THR 105.A OG1 ASP 103.A OD2 no hydrogen 2.445 N/A THR 106.A OG1 THR 106.A O no hydrogen 2.507 N/A THR 106.A OG1 ASP 109.A OD2 no hydrogen 3.473 N/A ILE 110.A N THR 106.A O no hydrogen 3.055 N/A GLU 111.A N ILE 107.A O no hydrogen 3.277 N/A LYS 112.A N ALA 108.A O no hydrogen 2.343 N/A GLY 113.A N ASP 109.A O no hydrogen 2.878 N/A LEU 114.A N ILE 110.A O no hydrogen 2.614 N/A GLU 115.A N GLU 111.A O no hydrogen 2.898 N/A ASP 116.A N LYS 112.A O no hydrogen 2.383 N/A PHE 117.A N GLY 113.A O no hydrogen 2.994 N/A TYR 118.A N LEU 114.A O no hydrogen 2.720 N/A TYR 119.A N GLU 115.A O no hydrogen 2.422 N/A SER 120.A N ASP 116.A O no hydrogen 2.939 N/A SER 120.A OG ASP 116.A O no hydrogen 2.629 N/A SER 120.A OG PHE 117.A O no hydrogen 2.976 N/A VAL 121.A N PHE 117.A O no hydrogen 2.686 N/A LYS 123.A N TYR 118.A O no hydrogen 3.052 N/A ALA 126.A N TYR 124.A O no hydrogen 2.717 N/A SER 127.A N GLN 147.A O no hydrogen 3.070 N/A SER 127.A OG GLN 147.A O no hydrogen 3.531 N/A SER 127.A OG GLN 147.A OE1 no hydrogen 2.286 N/A LYS 129.A N VAL 145.A O no hydrogen 3.332 N/A LYS 129.A NZ GLU 111.A OE2 no hydrogen 3.053 N/A LYS 129.A NZ VAL 128.A O no hydrogen 3.136 N/A ALA 130.A N GLU 111.A OE1 no hydrogen 2.455 N/A VAL 131.A N LYS 143.A O no hydrogen 2.373 N/A THR 133.A N ASP 141.A O no hydrogen 2.748 N/A THR 133.A OG1 VAL 131.A O no hydrogen 3.320 N/A THR 133.A OG1 ASP 141.A O no hydrogen 3.558 N/A THR 133.A OG1 ASP 141.A OD2 no hydrogen 3.066 N/A LEU 135.A N ARG 139.A O no hydrogen 2.393 N/A ASN 138.A ND2 GLU 67.A O no hydrogen 2.447 N/A ASN 138.A ND2 PRO 69.A O no hydrogen 2.473 N/A ARG 139.A N PRO 136.A O no hydrogen 3.049 N/A ARG 139.A NE PRO 136.A O no hydrogen 2.524 N/A VAL 140.A N THR 70.A O no hydrogen 3.382 N/A ASP 141.A N THR 133.A O no hydrogen 2.584 N/A LEU 142.A N SER 73.A O no hydrogen 2.702 N/A LYS 143.A N VAL 131.A O no hydrogen 2.874 N/A LYS 143.A NZ SER 77.A OG no hydrogen 2.389 N/A LEU 144.A N THR 75.A O no hydrogen 2.467 N/A VAL 145.A N LYS 129.A O no hydrogen 3.115 N/A PHE 146.A N SER 77.A O no hydrogen 2.756 N/A GLN 147.A N SER 127.A O no hydrogen 2.968 N/A GLY 149.A N SER 125.A O no hydrogen 2.767 N/A VAL 150.A N SER 125.A O no hydrogen 2.987 N/A SER 151.A OG GLY 122.A O no hydrogen 2.365 N/A SER 151.A OG ALA 152.A O no hydrogen 2.657 N/A GLU 153.A N LYS 229.A O no hydrogen 3.099 N/A GLN 155.A N ILE 231.A O no hydrogen 2.706 N/A GLN 155.A NE2 GLU 153.A O no hydrogen 2.559 N/A GLN 156.A N ILE 231.A O no hydrogen 3.254 N/A ASN 158.A N VAL 233.A O no hydrogen 2.390 N/A VAL 160.A N VAL 235.A O no hydrogen 2.713 N/A PHE 165.A N ASN 162.A OD1 no hydrogen 3.071 N/A LEU 170.A N THR 166.A O no hydrogen 2.663 N/A ILE 171.A N THR 167.A O no hydrogen 3.082 N/A SER 172.A N ASP 168.A O no hydrogen 3.210 N/A SER 172.A OG GLU 169.A O no hydrogen 2.674 N/A HIS 173.A N LEU 170.A O no hydrogen 3.262 N/A PHE 174.A N ILE 171.A O no hydrogen 2.720 N/A GLN 175.A N ASP 199.A OD1 no hydrogen 2.695 N/A LEU 176.A N ASP 199.A OD2 no hydrogen 2.648 N/A ARG 177.A NE ILE 171.A O no hydrogen 2.910 N/A ARG 177.A NE PHE 174.A O no hydrogen 2.497 N/A LYS 190.A NZ ALA 152.A O no hydrogen 3.383 N/A LYS 190.A NZ GLU 153.A OE1 no hydrogen 3.221 N/A GLN 192.A NE2 VAL 121.A O no hydrogen 2.410 N/A LYS 193.A N GLN 192.A OE1 no hydrogen 2.770 N/A LYS 193.A NZ SER 120.A O no hydrogen 2.418 N/A LYS 193.A NZ GLN 192.A OE1 no hydrogen 2.766 N/A LYS 195.A N GLN 192.A O no hydrogen 3.047 N/A LYS 195.A NZ LYS 190.A O no hydrogen 3.049 N/A GLY 198.A N GLN 194.A O no hydrogen 3.435 N/A ASP 199.A N LYS 195.A O no hydrogen 3.257 N/A LEU 200.A N LEU 196.A O no hydrogen 2.726 N/A GLU 201.A N ALA 197.A O no hydrogen 3.160 N/A THR 202.A N GLY 198.A O no hydrogen 2.394 N/A THR 202.A OG1 GLY 198.A O no hydrogen 2.463 N/A THR 202.A OG1 ASP 199.A OD1 no hydrogen 3.237 N/A LEU 203.A N ASP 199.A O no hydrogen 2.976 N/A ARG 204.A N LEU 200.A O no hydrogen 2.683 N/A SER 205.A N GLU 201.A O no hydrogen 2.925 N/A SER 205.A OG GLU 201.A O no hydrogen 2.703 N/A SER 205.A OG THR 202.A O no hydrogen 2.496 N/A TYR 206.A N THR 202.A O no hydrogen 2.857 N/A TYR 206.A OH GLU 169.A OE2 no hydrogen 2.341 N/A TYR 207.A N LEU 203.A O no hydrogen 3.030 N/A LEU 208.A N ARG 204.A O no hydrogen 3.243 N/A ASP 209.A N SER 205.A O no hydrogen 3.087 N/A ARG 210.A N TYR 207.A O no hydrogen 3.258 N/A TYR 212.A N TYR 207.A O no hydrogen 2.890 N/A ARG 214.A N GLY 240.A O no hydrogen 3.326 N/A ARG 214.A NE ASP 241.A OD1 no hydrogen 3.145 N/A ARG 214.A NE ASP 241.A OD2 no hydrogen 2.537 N/A ASN 216.A N THR 238.A O no hydrogen 2.823 N/A ASN 216.A ND2 ARG 214.A O no hydrogen 2.795 N/A SER 219.A N ASN 236.A O no hydrogen 2.875 N/A SER 219.A OG ASN 236.A OD1 no hydrogen 2.260 N/A GLN 221.A N THR 234.A O no hydrogen 2.452 N/A GLN 221.A NE2 ASN 236.A OD1 no hydrogen 2.368 N/A SER 223.A N TYR 232.A O no hydrogen 2.384 N/A SER 223.A OG THR 225.A OG1 no hydrogen 2.219 N/A SER 223.A OG TYR 232.A O no hydrogen 3.264 N/A THR 225.A OG1 SER 223.A O no hydrogen 3.041 N/A THR 225.A OG1 GLY 230.A O no hydrogen 2.750 N/A ASP 227.A N THR 225.A O no hydrogen 2.713 N/A LYS 228.A N THR 225.A O no hydrogen 3.479 N/A LYS 229.A N ASP 227.A OD1 no hydrogen 3.225 N/A LYS 229.A NZ GLU 153.A OE1 no hydrogen 2.451 N/A GLY 230.A N ASP 227.A OD1 no hydrogen 2.718 N/A ILE 231.A N GLU 153.A O no hydrogen 3.301 N/A TYR 232.A N SER 223.A OG no hydrogen 3.003 N/A VAL 233.A N GLN 156.A O no hydrogen 2.369 N/A THR 234.A N GLN 221.A O no hydrogen 2.510 N/A VAL 235.A N ASN 158.A O no hydrogen 2.378 N/A ASN 236.A N SER 219.A O no hydrogen 2.416 N/A ASN 236.A ND2 GLN 221.A OE1 no hydrogen 3.125 N/A ILE 237.A N VAL 160.A O no hydrogen 2.586 N/A THR 238.A N ASN 216.A O no hydrogen 2.370 N/A THR 238.A OG1 ASN 216.A OD1 no hydrogen 2.953 N/A THR 238.A OG1 ASP 218.A OD1 no hydrogen 2.396 N/A THR 238.A OG1 ASP 218.A OD2 no hydrogen 3.171 N/A TYR 243.A N GLY 211.A O no hydrogen 2.434 N/A TYR 243.A OH ASP 241.A OD1 no hydrogen 2.882 N/A TYR 243.A OH ASP 307.A OD1 no hydrogen 2.869 N/A LYS 244.A N LYS 310.A O no hydrogen 2.826 N/A LYS 244.A NZ GLN 242.A O no hydrogen 3.019 N/A LEU 245.A N GLU 271.A O no hydrogen 2.363 N/A SER 246.A N VAL 312.A O no hydrogen 2.750 N/A SER 246.A OG LYS 244.A O no hydrogen 3.407 N/A SER 246.A OG VAL 312.A O no hydrogen 2.793 N/A GLU 249.A N LEU 314.A O no hydrogen 2.349 N/A SER 251.A N VAL 316.A O no hydrogen 2.934 N/A ASN 253.A ND2 ASP 319.A OD1 no hydrogen 3.214 N/A HIS 257.A N LEU 254.A O no hydrogen 2.996 N/A GLU 260.A N GLU 260.A OE1 no hydrogen 2.482 N/A ILE 261.A N HIS 257.A O no hydrogen 2.563 N/A GLU 262.A N SER 258.A O no hydrogen 2.780 N/A GLN 263.A N ALA 259.A O no hydrogen 2.749 N/A THR 265.A N ILE 261.A O no hydrogen 2.951 N/A THR 265.A OG1 GLU 262.A O no hydrogen 3.216 N/A LYS 266.A N GLN 263.A O no hydrogen 3.452 N/A GLU 268.A N GLU 271.A OE1 no hydrogen 3.385 N/A GLY 270.A N LEU 245.A O no hydrogen 2.560 N/A GLU 271.A N GLU 268.A O no hydrogen 3.401 N/A TYR 273.A N TYR 243.A O no hydrogen 2.705 N/A GLY 275.A N LEU 208.A O no hydrogen 3.437 N/A THR 276.A OG1 ASN 274.A OD1 no hydrogen 2.209 N/A LYS 277.A N ASN 274.A OD1 no hydrogen 2.523 N/A LYS 277.A NZ GLU 271.A OE2 no hydrogen 2.588 N/A VAL 278.A N ASN 274.A O no hydrogen 2.993 N/A THR 279.A N GLY 275.A O no hydrogen 2.637 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 3.104 N/A LYS 280.A NZ THR 276.A O no hydrogen 2.909 N/A MET 281.A N LYS 277.A O no hydrogen 2.728 N/A GLU 282.A N VAL 278.A O no hydrogen 3.153 N/A ASP 283.A N THR 279.A O no hydrogen 3.309 N/A ASP 284.A N LYS 280.A O no hydrogen 2.619 N/A ILE 285.A N MET 281.A O no hydrogen 3.279 N/A LYS 286.A N GLU 282.A O no hydrogen 3.000 N/A LYS 286.A NZ PRO 297.A O no hydrogen 2.551 N/A LYS 287.A N ASP 283.A O no hydrogen 2.619 N/A LYS 287.A NZ ASP 284.A OD1 no hydrogen 2.947 N/A LEU 288.A N ASP 284.A O no hydrogen 2.896 N/A LEU 289.A N ILE 285.A O no hydrogen 2.478 N/A GLY 290.A N LYS 286.A O no hydrogen 2.818 N/A ARG 291.A N LYS 287.A O no hydrogen 2.802 N/A ARG 291.A NH2 TYR 292.A OH no hydrogen 3.518 N/A TYR 292.A N LEU 288.A O no hydrogen 2.884 N/A GLY 293.A N GLY 290.A O no hydrogen 3.133 N/A TYR 294.A N LEU 289.A O no hydrogen 2.625 N/A TYR 294.A OH HIS 257.A NE2 no hydrogen 3.356 N/A ARG 298.A N TYR 296.A O no hydrogen 3.115 N/A ARG 298.A N ASP 319.A O no hydrogen 2.397 N/A ARG 298.A NH1 ASN 317.A O no hydrogen 2.437 N/A GLN 300.A N ASN 317.A O no hydrogen 2.495 N/A GLN 300.A NE2 SER 301.A O no hydrogen 2.372 N/A SER 301.A N GLU 282.A OE2 no hydrogen 2.487 N/A SER 301.A OG ARG 315.A O no hydrogen 3.489 N/A MET 302.A N ARG 315.A O no hydrogen 2.332 N/A GLU 304.A N LYS 313.A O no hydrogen 2.373 N/A ASN 306.A ND2 THR 311.A OG1 no hydrogen 3.238 N/A ALA 308.A N ASN 306.A OD1 no hydrogen 3.413 N/A LYS 310.A N ASP 307.A O no hydrogen 3.148 N/A LYS 310.A NZ ASP 241.A OD1 no hydrogen 3.039 N/A LYS 310.A NZ TYR 243.A OH no hydrogen 2.876 N/A THR 311.A N ASN 306.A O no hydrogen 2.527 N/A THR 311.A OG1 ASN 306.A O no hydrogen 3.333 N/A THR 311.A OG1 ASP 309.A OD1 no hydrogen 2.568 N/A THR 311.A OG1 ASP 309.A OD2 no hydrogen 3.034 N/A VAL 312.A N LYS 244.A O no hydrogen 2.722 N/A LYS 313.A N GLU 304.A O no hydrogen 2.777 N/A LYS 313.A NZ GLU 249.A OE2 no hydrogen 2.899 N/A ARG 315.A N GLU 304.A OE1 no hydrogen 2.461 N/A ARG 315.A NH1 GLU 249.A O no hydrogen 2.263 N/A VAL 316.A N GLU 249.A O no hydrogen 3.430 N/A ASN 317.A N GLN 300.A O no hydrogen 2.376 N/A VAL 318.A N SER 251.A O no hydrogen 2.837 N/A ASP 319.A N ARG 298.A O no hydrogen 2.381 N/A ALA 320.A N ASN 253.A O no hydrogen 3.205 N/A PHE 324.A N ASN 322.A OD1 no hydrogen 3.383 N/A TYR 325.A N ARG 323.A O no hydrogen 2.699 N/A ARG 327.A NE ASP 390.A OD1 no hydrogen 3.462 N/A ARG 327.A NH2 ASP 390.A OD2 no hydrogen 2.392 N/A LYS 328.A N ASP 390.A OD1 no hydrogen 2.988 N/A ILE 329.A N GLU 350.A OE2 no hydrogen 2.560 N/A ARG 330.A N VAL 391.A O no hydrogen 2.471 N/A GLU 332.A N TYR 393.A O no hydrogen 2.622 N/A SER 337.A OG LYS 338.A O no hydrogen 3.398 N/A SER 337.A OG GLY 428.A O no hydrogen 3.259 N/A LYS 338.A N GLY 428.A O no hydrogen 3.019 N/A LYS 338.A NZ ASP 339.A OD1 no hydrogen 3.134 N/A ALA 340.A N ASP 339.A OD1 no hydrogen 2.719 N/A ARG 343.A N ASP 339.A O no hydrogen 2.432 N/A ARG 343.A NH1 ILE 329.A O no hydrogen 3.559 N/A ARG 344.A N ALA 340.A O no hydrogen 2.830 N/A ARG 344.A NE ALA 340.A O no hydrogen 2.500 N/A GLU 345.A N LEU 342.A O no hydrogen 2.986 N/A GLN 348.A NE2 MET 349.A O no hydrogen 2.495 N/A GLN 348.A NE2 TRP 353.A O no hydrogen 3.526 N/A GLY 351.A N ARG 327.A O no hydrogen 3.122 N/A ALA 352.A N VAL 326.A O no hydrogen 3.201 N/A TRP 353.A NE1 ARG 291.A O no hydrogen 2.929 N/A LEU 354.A N ARG 323.A O no hydrogen 3.266 N/A GLY 355.A N GLN 348.A OE1 no hydrogen 2.780 N/A SER 356.A OG LYS 287.A O no hydrogen 3.198 N/A ASP 357.A N ASP 357.A OD1 no hydrogen 2.342 N/A GLN 361.A N ASP 357.A O no hydrogen 2.444 N/A GLY 362.A N LEU 358.A O no hydrogen 2.899 N/A LYS 363.A N VAL 359.A O no hydrogen 2.765 N/A GLU 364.A N ASP 360.A O no hydrogen 2.481 N/A ARG 365.A N GLN 361.A O no hydrogen 3.090 N/A LEU 366.A N GLY 362.A O no hydrogen 2.692 N/A ASN 367.A N LYS 363.A O no hydrogen 2.417 N/A ARG 368.A N GLU 364.A O no hydrogen 2.460 N/A GLU 373.A N LYS 396.A O no hydrogen 2.531 N/A THR 374.A N LYS 396.A O no hydrogen 2.716 N/A THR 374.A OG1 ASP 376.A OD1 no hydrogen 2.359 N/A THR 377.A OG1 VAL 392.A O no hydrogen 2.818 N/A ASP 378.A N VAL 392.A O no hydrogen 2.404 N/A THR 379.A OG1 THR 379.A O no hydrogen 2.419 N/A ARG 381.A NH1 SER 385.A O no hydrogen 2.513 N/A ARG 381.A NH1 GLN 388.A O no hydrogen 2.374 N/A ARG 381.A NH2 SER 385.A O no hydrogen 2.776 N/A VAL 382.A N GLN 388.A O no hydrogen 3.012 N/A ASP 387.A N SER 385.A OG no hydrogen 3.260 N/A VAL 389.A N TYR 325.A O no hydrogen 2.463 N/A ASP 390.A N GLN 380.A O no hydrogen 2.655 N/A VAL 391.A N LYS 328.A O no hydrogen 3.421 N/A VAL 392.A N ASP 378.A O no hydrogen 2.368 N/A TYR 393.A N ARG 330.A O no hydrogen 2.398 N/A LYS 394.A N VAL 392.A O no hydrogen 2.808 N/A LYS 394.A NZ VAL 395.A O no hydrogen 2.376 N/A VAL 395.A N GLU 332.A O no hydrogen 3.156 N/A LYS 396.A N THR 374.A O no hydrogen 2.455 N/A LYS 396.A N THR 374.A OG1 no hydrogen 3.094 N/A LYS 396.A NZ GLU 373.A OE1 no hydrogen 3.177 N/A LYS 396.A NZ GLU 397.A O no hydrogen 2.356 N/A ARG 398.A N PHE 371.A O no hydrogen 3.026 N/A SER 402.A OG ASP 424.A OD1 no hydrogen 3.095 N/A SER 402.A OG ASP 424.A OD2 no hydrogen 3.191 N/A SER 416.A OG ASP 441.A OD1 no hydrogen 2.376 N/A PHE 417.A N ASN 440.A OD1 no hydrogen 2.462 N/A GLN 418.A NE2 ASN 404.A O no hydrogen 3.614 N/A ALA 419.A N GLY 437.A O no hydrogen 3.286 N/A GLN 422.A N SER 402.A O no hydrogen 2.977 N/A GLN 423.A N VAL 433.A O no hydrogen 2.472 N/A TRP 426.A N TYR 431.A O no hydrogen 2.595 N/A GLY 428.A N ASN 425.A O no hydrogen 2.771 N/A THR 429.A N TRP 426.A O no hydrogen 3.035 N/A THR 429.A OG1 TRP 426.A O no hydrogen 3.544 N/A THR 429.A OG1 LEU 427.A O no hydrogen 2.649 N/A TYR 431.A N ASN 425.A OD1 no hydrogen 2.454 N/A ALA 432.A N THR 451.A O no hydrogen 2.515 N/A GLY 434.A N SER 449.A O no hydrogen 2.800 N/A ILE 435.A N VAL 421.A O no hydrogen 2.895 N/A THR 438.A N TYR 445.A O no hydrogen 2.688 N/A THR 438.A OG1 PHE 417.A O no hydrogen 2.389 N/A LYS 439.A NZ ASN 440.A O no hydrogen 2.994 N/A ASN 440.A N GLN 443.A O no hydrogen 2.598 N/A ASP 441.A N SER 416.A OG no hydrogen 2.858 N/A TYR 442.A OH TYR 481.A OH no hydrogen 2.436 N/A GLN 443.A NE2 THR 438.A OG1 no hydrogen 2.566 N/A THR 444.A N ASP 470.A O no hydrogen 2.694 N/A TYR 445.A N THR 438.A O no hydrogen 2.496 N/A TYR 445.A OH ASN 436.A OD1 no hydrogen 2.869 N/A ALA 446.A N TYR 468.A O no hydrogen 2.862 N/A LEU 448.A N LEU 466.A O no hydrogen 3.022 N/A SER 449.A OG GLU 447.A OE1 no hydrogen 3.184 N/A VAL 450.A N GLY 464.A O no hydrogen 3.055 N/A THR 451.A N ALA 432.A O no hydrogen 2.615 N/A ASN 452.A N LEU 462.A O no hydrogen 3.217 N/A TYR 454.A N ASN 452.A OD1 no hydrogen 3.171 N/A GLY 459.A N THR 456.A O no hydrogen 3.081 N/A VAL 460.A N THR 456.A O no hydrogen 3.135 N/A SER 461.A N GLY 493.A O no hydrogen 3.051 N/A LEU 462.A N ASN 452.A O no hydrogen 2.423 N/A GLY 463.A N SER 461.A O no hydrogen 2.717 N/A GLY 463.A N THR 491.A O no hydrogen 2.932 N/A GLY 464.A N VAL 450.A O no hydrogen 2.843 N/A ARG 465.A NH2 GLY 487.A O no hydrogen 3.169 N/A PHE 467.A N GLY 487.A O no hydrogen 2.927 N/A TYR 468.A N ALA 446.A O no hydrogen 2.913 N/A ASN 469.A N SER 485.A O no hydrogen 2.448 N/A ASP 470.A N THR 444.A O no hydrogen 2.450 N/A PHE 471.A N ASN 483.A O no hydrogen 2.841 N/A GLN 472.A N TYR 442.A O no hydrogen 3.061 N/A ALA 473.A N TYR 442.A O no hydrogen 2.549 N/A LEU 478.A N ASP 477.A OD1 no hydrogen 2.726 N/A SER 479.A OG TYR 659.A O no hydrogen 2.625 N/A TYR 481.A OH TYR 442.A OH no hydrogen 2.436 N/A THR 482.A N SER 514.A O no hydrogen 3.409 N/A THR 482.A OG1 GLN 472.A O no hydrogen 2.269 N/A THR 482.A OG1 LEU 478.A O no hydrogen 2.844 N/A ASN 483.A N PHE 471.A O no hydrogen 2.480 N/A LYS 484.A N SER 512.A O no hydrogen 2.632 N/A LYS 484.A NZ SER 512.A OG no hydrogen 3.209 N/A SER 485.A N ASN 469.A O no hydrogen 2.483 N/A SER 485.A OG ASN 469.A O no hydrogen 3.104 N/A TYR 486.A N HIS 510.A O no hydrogen 2.606 N/A TYR 486.A OH SER 512.A OG no hydrogen 3.027 N/A GLY 487.A N PHE 467.A O no hydrogen 2.909 N/A THR 488.A N TYR 508.A O no hydrogen 3.214 N/A ASP 489.A N ARG 465.A O no hydrogen 2.661 N/A THR 491.A N GLY 463.A O no hydrogen 2.507 N/A THR 491.A OG1 GLY 463.A O no hydrogen 2.642 N/A LEU 492.A N ALA 504.A O no hydrogen 2.940 N/A GLY 493.A N SER 461.A OG no hydrogen 2.748 N/A PHE 494.A N LEU 502.A O no hydrogen 3.514 N/A ILE 496.A N ASN 500.A O no hydrogen 3.095 N/A ASN 497.A N ASN 500.A O no hydrogen 2.467 N/A ASN 500.A ND2 ASN 497.A OD1 no hydrogen 3.149 N/A SER 501.A N THR 554.A O no hydrogen 2.983 N/A ARG 503.A N GLY 552.A O no hydrogen 2.488 N/A ARG 503.A NH2 LEU 572.A O no hydrogen 2.322 N/A ALA 504.A N LEU 492.A O no hydrogen 3.297 N/A GLY 505.A N ASN 550.A O no hydrogen 2.712 N/A GLY 507.A N THR 548.A O no hydrogen 2.460 N/A TYR 508.A N THR 488.A O no hydrogen 2.541 N/A TYR 508.A OH HIS 510.A ND1 no hydrogen 3.140 N/A VAL 509.A N ASP 546.A O no hydrogen 2.500 N/A HIS 510.A N TYR 486.A O no hydrogen 2.876 N/A HIS 510.A ND1 TYR 508.A OH no hydrogen 3.140 N/A ASN 511.A N THR 544.A O no hydrogen 2.572 N/A SER 512.A OG TYR 486.A OH no hydrogen 3.027 N/A LEU 513.A N PHE 542.A O no hydrogen 2.529 N/A SER 514.A N THR 482.A O no hydrogen 2.942 N/A ASN 515.A ND2 SER 479.A O no hydrogen 3.576 N/A ASN 515.A ND2 SER 657.A O no hydrogen 2.845 N/A VAL 520.A N VAL 650.A O no hydrogen 2.903 N/A MET 522.A N GLN 519.A O no hydrogen 3.046 N/A TRP 523.A N VAL 520.A O no hydrogen 2.824 N/A ARG 524.A N VAL 520.A O no hydrogen 3.132 N/A ARG 524.A NH1 GLU 622.A OE1 no hydrogen 3.404 N/A LEU 526.A N MET 522.A O no hydrogen 2.996 N/A TYR 527.A N TRP 523.A O no hydrogen 2.498 N/A SER 528.A N ARG 524.A O no hydrogen 3.093 N/A SER 528.A OG ARG 524.A O no hydrogen 3.039 N/A SER 528.A OG TYR 525.A O no hydrogen 2.555 N/A MET 529.A N TYR 525.A O no hydrogen 2.736 N/A GLY 530.A N TYR 527.A O no hydrogen 3.371 N/A SER 534.A OG SER 534.A O no hydrogen 2.320 N/A SER 534.A OG ASP 539.A OD1 no hydrogen 2.559 N/A SER 534.A OG ASP 539.A OD2 no hydrogen 2.989 N/A SER 536.A OG PRO 653.A O no hydrogen 2.282 N/A ASP 537.A N SER 534.A O no hydrogen 3.082 N/A GLN 538.A N ALA 656.A O no hydrogen 3.011 N/A GLN 538.A NE2 ASP 480.A OD1 no hydrogen 2.776 N/A GLN 538.A NE2 GLN 517.A OE1 no hydrogen 2.808 N/A ASP 539.A N ASN 540.A OD1 no hydrogen 3.113 N/A ASN 540.A ND2 SER 534.A O no hydrogen 3.564 N/A ASN 540.A ND2 SER 534.A OG no hydrogen 3.377 N/A SER 541.A OG LEU 513.A O no hydrogen 2.325 N/A PHE 542.A N LEU 513.A O no hydrogen 3.067 N/A LYS 543.A NZ LEU 513.A O no hydrogen 2.480 N/A LYS 543.A NZ SER 541.A OG no hydrogen 3.128 N/A THR 544.A N ASN 511.A O no hydrogen 2.923 N/A ASP 545.A N ASP 582.A OD2 no hydrogen 2.727 N/A ASP 546.A N VAL 509.A O no hydrogen 2.401 N/A PHE 547.A N SER 581.A OG no hydrogen 2.622 N/A THR 548.A N GLY 507.A O no hydrogen 2.511 N/A THR 548.A OG1 GLY 507.A O no hydrogen 3.509 N/A PHE 549.A N VAL 576.A O no hydrogen 2.421 N/A ASN 550.A N GLY 505.A O no hydrogen 2.530 N/A ASN 550.A ND2 THR 548.A OG1 no hydrogen 3.067 N/A TYR 551.A N GLY 574.A O no hydrogen 2.647 N/A GLY 552.A N ARG 503.A O no hydrogen 2.907 N/A TRP 553.A N LEU 572.A O no hydrogen 2.998 N/A THR 554.A N SER 501.A O no hydrogen 2.563 N/A THR 554.A OG1 TYR 555.A O no hydrogen 2.727 N/A THR 554.A OG1 ASN 571.A OD1 no hydrogen 2.450 N/A TYR 555.A N VAL 570.A O no hydrogen 2.425 N/A GLY 561.A N ASN 367.A O no hydrogen 2.712 N/A THR 565.A N ASP 559.A OD2 no hydrogen 3.179 N/A THR 565.A OG1 PHE 563.A O no hydrogen 3.026 N/A GLY 567.A N TYR 595.A O no hydrogen 2.966 N/A SER 568.A N LYS 557.A O no hydrogen 2.394 N/A ARG 569.A N ALA 593.A O no hydrogen 3.260 N/A ARG 569.A NE ASN 556.A OD1 no hydrogen 2.578 N/A ARG 569.A NH2 ARG 560.A O no hydrogen 3.087 N/A LEU 572.A N TRP 553.A O no hydrogen 2.406 N/A THR 573.A N THR 589.A O no hydrogen 3.444 N/A GLY 574.A N TYR 551.A O no hydrogen 2.647 N/A LYS 575.A N LYS 587.A O no hydrogen 2.442 N/A LYS 575.A NZ GLU 627.A OE1 no hydrogen 2.581 N/A VAL 576.A N PHE 549.A O no hydrogen 2.682 N/A THR 577.A N TYR 585.A O no hydrogen 2.940 N/A THR 577.A OG1 GLU 584.A OE1 no hydrogen 2.901 N/A THR 577.A OG1 TYR 585.A O no hydrogen 2.905 N/A ILE 578.A N PHE 547.A O no hydrogen 3.019 N/A SER 581.A N ILE 578.A O no hydrogen 3.215 N/A SER 581.A OG PHE 547.A O no hydrogen 3.216 N/A SER 581.A OG ASN 583.A O no hydrogen 2.766 N/A ASP 582.A N ASP 545.A O no hydrogen 3.177 N/A ASN 583.A ND2 GLU 622.A O no hydrogen 3.421 N/A TYR 585.A N THR 577.A OG1 no hydrogen 2.847 N/A TYR 585.A OH ASP 546.A OD2 no hydrogen 3.267 N/A TYR 586.A N ASP 616.A O no hydrogen 2.768 N/A LYS 587.A N LYS 575.A O no hydrogen 2.679 N/A LYS 587.A NZ GLU 627.A O no hydrogen 2.443 N/A VAL 588.A N TYR 614.A O no hydrogen 3.087 N/A THR 589.A N THR 573.A O no hydrogen 3.010 N/A LEU 590.A N TRP 612.A O no hydrogen 2.450 N/A THR 592.A N THR 610.A O no hydrogen 3.341 N/A THR 592.A OG1 GLY 608.A O no hydrogen 3.513 N/A THR 592.A OG1 THR 610.A OG1 no hydrogen 2.486 N/A THR 594.A N GLY 608.A O no hydrogen 2.705 N/A THR 594.A OG1 GLY 608.A O no hydrogen 3.294 N/A TYR 595.A N GLY 567.A O no hydrogen 2.562 N/A VAL 596.A N VAL 606.A O no hydrogen 2.716 N/A ASP 599.A N TRP 604.A O no hydrogen 2.691 N/A ASP 601.A N ASP 599.A OD1 no hydrogen 2.980 N/A HIS 602.A N ASP 599.A O no hydrogen 2.973 N/A HIS 602.A ND1 ASP 599.A O no hydrogen 3.201 N/A LYS 603.A N ASP 599.A OD2 no hydrogen 2.583 N/A VAL 606.A N VAL 596.A O no hydrogen 2.459 N/A LEU 607.A N GLU 694.A O no hydrogen 2.714 N/A GLY 608.A N THR 594.A O no hydrogen 2.444 N/A ARG 609.A NH1 VAL 690.A O no hydrogen 3.087 N/A THR 610.A OG1 THR 592.A OG1 no hydrogen 2.486 N/A ARG 611.A N VAL 690.A O no hydrogen 2.527 N/A ARG 611.A NE THR 636.A OG1 no hydrogen 3.232 N/A ARG 611.A NH2 THR 636.A OG1 no hydrogen 2.476 N/A TRP 612.A N LEU 590.A O no hydrogen 2.448 N/A TYR 614.A OH THR 724.A OG1 no hydrogen 2.696 N/A GLY 615.A N ASN 686.A O no hydrogen 3.150 N/A LEU 618.A N GLU 584.A O no hydrogen 2.673 N/A GLU 627.A N PRO 624.A O no hydrogen 2.920 N/A ASN 628.A N PHE 625.A O no hydrogen 3.282 N/A ASN 628.A ND2 GLY 684.A O no hydrogen 3.304 N/A PHE 629.A N GLY 685.A O no hydrogen 2.501 N/A TYR 630.A OH VAL 683.A O no hydrogen 3.236 N/A ALA 631.A N ILE 645.A O no hydrogen 3.328 N/A GLY 632.A N SER 635.A OG no hydrogen 2.462 N/A SER 635.A N GLY 633.A O no hydrogen 2.836 N/A SER 635.A OG VAL 637.A O no hydrogen 2.581 N/A VAL 637.A N SER 635.A OG no hydrogen 2.992 N/A ARG 638.A N ASP 717.A OD2 no hydrogen 2.521 N/A GLN 641.A N LYS 775.A O no hydrogen 2.396 N/A GLN 641.A NE2 ALA 776.A O no hydrogen 3.624 N/A SER 642.A OG SER 634.A OG no hydrogen 3.228 N/A ASN 643.A N GLY 632.A O no hydrogen 3.227 N/A THR 644.A N ALA 631.A O no hydrogen 2.975 N/A ILE 645.A N ALA 631.A O no hydrogen 2.981 N/A LYS 648.A NZ THR 644.A O no hydrogen 2.836 N/A LYS 648.A NZ ASP 680.A O no hydrogen 2.623 N/A LYS 648.A NZ GLY 773.A O no hydrogen 3.323 N/A TYR 651.A N CYS 677.A O no hydrogen 2.433 N/A PHE 652.A N PRO 518.A O no hydrogen 2.395 N/A HIS 654.A N ALA 668.A O no hydrogen 3.003 N/A GLN 655.A N SER 536.A O no hydrogen 2.455 N/A GLN 655.A NE2 SER 536.A OG no hydrogen 2.351 N/A GLN 655.A NE2 PRO 653.A O no hydrogen 3.199 N/A ALA 656.A N ASP 537.A OD1 no hydrogen 2.891 N/A SER 657.A N ASP 660.A OD1 no hydrogen 2.878 N/A SER 657.A OG ASP 480.A OD1 no hydrogen 3.072 N/A SER 657.A OG ASP 660.A OD1 no hydrogen 2.826 N/A ASP 664.A N PRO 661.A O no hydrogen 3.178 N/A GLU 666.A N GLU 666.A OE1 no hydrogen 2.706 N/A CYS 667.A SG ASP 480.A OD1 no hydrogen 3.778 N/A CYS 667.A SG SER 657.A OG no hydrogen 2.630 N/A CYS 667.A SG TYR 665.A O no hydrogen 3.746 N/A THR 669.A OG1 GLN 655.A O no hydrogen 2.239 N/A THR 669.A OG1 ASP 660.A OD2 no hydrogen 2.336 N/A GLN 670.A N GLN 655.A O no hydrogen 2.679 N/A GLN 670.A NE2 GLN 670.A O no hydrogen 3.086 N/A ASP 671.A N THR 669.A OG1 no hydrogen 3.236 N/A LYS 674.A NZ GLN 655.A OE1 no hydrogen 2.477 N/A LYS 674.A NZ GLN 670.A OE1 no hydrogen 2.809 N/A ASP 675.A N ALA 673.A O no hydrogen 2.581 N/A CYS 677.A N TYR 651.A O no hydrogen 3.240 N/A CYS 677.A SG LYS 678.A O no hydrogen 3.716 N/A LYS 678.A NZ GLY 733.A O no hydrogen 3.176 N/A SER 679.A N ALA 649.A O no hydrogen 2.748 N/A SER 679.A OG ALA 649.A O no hydrogen 2.544 N/A ALA 682.A N ASN 643.A O no hydrogen 2.869 N/A VAL 683.A N PRO 647.A O no hydrogen 2.873 N/A GLY 685.A N PHE 629.A O no hydrogen 3.272 N/A ASN 686.A ND2 THR 724.A OG1 no hydrogen 2.408 N/A ASN 686.A ND2 ASN 725.A OD1 no hydrogen 2.732 N/A ALA 687.A N TRP 722.A O no hydrogen 2.970 N/A MET 688.A N GLY 613.A O no hydrogen 2.946 N/A ALA 689.A N THR 720.A O no hydrogen 2.766 N/A VAL 690.A N ARG 611.A O no hydrogen 2.930 N/A GLU 694.A N LEU 607.A O no hydrogen 3.234 N/A PHE 695.A N SER 713.A OG no hydrogen 2.685 N/A ILE 696.A N VAL 605.A O no hydrogen 3.305 N/A THR 697.A OG1 PHE 695.A O no hydrogen 3.261 N/A TYR 706.A N SER 703.A O no hydrogen 3.194 N/A SER 709.A N ASN 708.A OD1 no hydrogen 2.676 N/A ARG 711.A N GLN 752.A O no hydrogen 3.220 N/A ARG 711.A NE GLN 752.A OE1 no hydrogen 2.402 N/A ARG 711.A NH2 TYR 562.A O no hydrogen 3.462 N/A ARG 711.A NH2 GLN 752.A OE1 no hydrogen 3.216 N/A THR 712.A OG1 THR 697.A O no hydrogen 2.309 N/A SER 713.A N ALA 750.A O no hydrogen 2.977 N/A SER 713.A OG GLU 694.A OE2 no hydrogen 3.102 N/A SER 713.A OG PHE 695.A O no hydrogen 2.759 N/A SER 713.A OG PHE 714.A O no hydrogen 3.448 N/A PHE 715.A N GLY 748.A O no hydrogen 2.631 N/A ASP 717.A N ASP 717.A OD1 no hydrogen 2.452 N/A MET 718.A N ALA 691.A O no hydrogen 3.505 N/A GLY 719.A N ARG 744.A O no hydrogen 3.168 N/A THR 720.A N ALA 689.A O no hydrogen 2.640 N/A TRP 722.A N ALA 687.A O no hydrogen 3.227 N/A THR 724.A N ASN 686.A OD1 no hydrogen 2.672 N/A THR 724.A OG1 TYR 614.A OH no hydrogen 2.696 N/A ASN 725.A N ASP 723.A OD1 no hydrogen 2.860 N/A ASN 725.A ND2 ASP 616.A OD1 no hydrogen 3.566 N/A ASN 725.A ND2 ASP 616.A OD2 no hydrogen 3.474 N/A TRP 726.A N ASP 723.A O no hydrogen 3.074 N/A SER 728.A OG ASP 736.A OD2 no hydrogen 2.474 N/A SER 732.A OG SER 728.A O no hydrogen 3.343 N/A SER 732.A OG SER 729.A O no hydrogen 3.341 N/A GLY 733.A N GLN 730.A O no hydrogen 3.419 N/A TYR 734.A N TYR 731.A O no hydrogen 2.756 N/A TYR 734.A OH GLN 730.A OE1 no hydrogen 2.426 N/A SER 738.A OG TRP 726.A O no hydrogen 2.427 N/A SER 738.A OG TYR 737.A O no hydrogen 2.934 N/A SER 741.A OG SER 741.A O no hydrogen 2.378 N/A ARG 744.A N GLY 719.A O no hydrogen 2.627 N/A ARG 744.A NE TYR 771.A O no hydrogen 3.187 N/A ARG 744.A NH1 VAL 721.A O no hydrogen 3.556 N/A ARG 744.A NH1 ASN 742.A O no hydrogen 3.424 N/A ARG 744.A NH2 GLY 646.A O no hydrogen 2.567 N/A MET 745.A N LYS 769.A O no hydrogen 2.532 N/A SER 746.A N ASP 717.A O no hydrogen 2.640 N/A SER 746.A OG ARG 638.A O no hydrogen 2.318 N/A SER 746.A OG ASP 717.A O no hydrogen 3.330 N/A SER 746.A OG ASP 717.A OD1 no hydrogen 2.632 N/A ALA 747.A N GLN 766.A O no hydrogen 3.191 N/A GLY 748.A N PHE 715.A O no hydrogen 3.275 N/A ILE 749.A N TYR 764.A O no hydrogen 2.913 N/A ALA 750.A N SER 713.A O no hydrogen 2.499 N/A LEU 751.A N PHE 762.A O no hydrogen 2.544 N/A GLN 752.A N ARG 711.A O no hydrogen 3.030 N/A GLN 752.A NE2 SER 709.A O no hydrogen 2.996 N/A SER 755.A N GLY 758.A O no hydrogen 2.518 N/A SER 755.A OG GLY 758.A O no hydrogen 2.931 N/A LEU 757.A N SER 755.A OG no hydrogen 2.796 N/A GLY 758.A N SER 755.A O no hydrogen 2.802 N/A LEU 760.A N TRP 753.A O no hydrogen 2.816 N/A VAL 761.A N ILE 783.A OXT no hydrogen 3.097 N/A PHE 762.A N LEU 751.A O no hydrogen 3.019 N/A SER 763.A OG GLN 780.A O no hydrogen 2.535 N/A TYR 764.A N ILE 749.A O no hydrogen 3.091 N/A TYR 764.A OH GLN 766.A OE1 no hydrogen 2.560 N/A TYR 764.A OH GLN 778.A OE1 no hydrogen 2.777 N/A ALA 765.A N GLN 778.A O no hydrogen 3.023 N/A GLN 766.A N ALA 747.A O no hydrogen 2.718 N/A LYS 769.A N MET 745.A O no hydrogen 3.461 N/A LYS 770.A NZ ASP 774.A O no hydrogen 3.480 N/A TYR 771.A N ASP 774.A OD2 no hydrogen 2.911 N/A LYS 775.A NZ ASN 643.A O no hydrogen 3.362 N/A LYS 775.A NZ ASP 680.A O no hydrogen 2.944 N/A PHE 779.A N GLU 777.A OE1 no hydrogen 3.283 N/A GLN 780.A N SER 763.A O no hydrogen 3.208 N/A ASN 782.A N VAL 761.A O no hydrogen 2.762 N/A