Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8gua_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 4.A N ASN 1.A OD1 no hydrogen 3.201 N/A LYS 5.A N ASN 1.A O no hydrogen 3.200 N/A ILE 6.A N ARG 2.A O no hydrogen 2.926 N/A LEU 7.A N GLU 3.A O no hydrogen 2.772 N/A ASN 8.A N GLU 4.A O no hydrogen 3.136 N/A ARG 9.A N ILE 6.A O no hydrogen 3.215 N/A GLU 10.A N GLU 10.A OE1 no hydrogen 2.783 N/A ILE 11.A N LEU 7.A O no hydrogen 3.346 N/A GLY 12.A N ASN 8.A O no hydrogen 3.471 N/A PHE 13.A N ARG 9.A O no hydrogen 3.018 N/A ALA 14.A N GLU 10.A O no hydrogen 2.721 N/A ILE 15.A N ILE 11.A O no hydrogen 3.124 N/A GLY 16.A N GLY 12.A O no hydrogen 2.940 N/A GLU 21.A N PRO 18.A O no hydrogen 3.212 N/A PHE 22.A N VAL 19.A O no hydrogen 2.980 N/A ASP 23.A N CYS 20.A O no hydrogen 2.941 N/A GLN 31.A N ASP 27.A O no hydrogen 3.284 N/A GLN 31.A NE2 PHE 22.A O no hydrogen 3.157 N/A GLN 31.A NE2 VAL 25.A O no hydrogen 2.516 N/A ASP 32.A N PRO 28.A O no hydrogen 2.836 N/A PHE 33.A N GLU 29.A O no hydrogen 2.698 N/A ARG 34.A N VAL 30.A O no hydrogen 3.095 N/A ARG 34.A NH2 ASP 23.A OD1 no hydrogen 3.064 N/A ARG 35.A N ASP 32.A O no hydrogen 3.261 N/A LEU 38.A N ARG 35.A O no hydrogen 3.006 N/A ASN 39.A N ARG 35.A O no hydrogen 3.434 N/A CYS 41.A N LEU 38.A O no hydrogen 3.123 N/A LYS 42.A N ASN 39.A O no hydrogen 3.156 N/A LYS 42.A NZ ASP 46.A OD2 no hydrogen 2.664 N/A GLU 43.A N VAL 40.A O no hydrogen 2.889 N/A ALA 44.A N CYS 41.A O no hydrogen 3.020 N/A VAL 45.A N CYS 41.A O no hydrogen 3.436 N/A ASP 46.A N LYS 42.A O no hydrogen 2.608 N/A LEU 47.A N GLU 43.A O no hydrogen 2.796 N/A ARG 48.A N ALA 44.A O no hydrogen 2.996 N/A ARG 48.A NH1 LEU 488.A O no hydrogen 3.178 N/A ARG 48.A NH1 ALA 524.A O no hydrogen 2.713 N/A ARG 48.A NH2 ALA 524.A O no hydrogen 2.664 N/A ASP 49.A N VAL 45.A O no hydrogen 2.937 N/A LEU 50.A N LEU 47.A O no hydrogen 3.314 N/A ASN 51.A N SER 55.A OG no hydrogen 3.158 N/A SER 55.A N ASN 51.A O no hydrogen 2.712 N/A ARG 56.A NE LEU 174.A O no hydrogen 3.242 N/A ARG 56.A NH1 SER 52.A OG no hydrogen 2.311 N/A ARG 56.A NH2 LEU 174.A O no hydrogen 2.397 N/A ALA 57.A N PRO 53.A O no hydrogen 2.625 N/A MET 58.A N HIS 54.A O no hydrogen 2.847 N/A TYR 59.A N SER 55.A O no hydrogen 2.927 N/A TYR 59.A OH CYS 525.A O no hydrogen 2.716 N/A VAL 60.A N ARG 56.A O no hydrogen 2.965 N/A TYR 61.A N ALA 57.A O no hydrogen 2.776 N/A TYR 61.A OH ASP 135.A OD2 no hydrogen 3.389 N/A SER 67.A OG THR 454.A OG1 no hydrogen 3.262 N/A HIS 74.A NE2 GLN 655.A OE1 no hydrogen 2.469 N/A TYR 76.A N PRO 72.A O no hydrogen 2.932 N/A ASN 77.A N HIS 74.A O no hydrogen 3.191 N/A LYS 78.A N ILE 75.A O no hydrogen 2.839 N/A LYS 78.A NZ ILE 154.A O no hydrogen 3.568 N/A ASP 80.A N GLN 83.A O no hydrogen 3.227 N/A ILE 84.A N ILE 105.A O no hydrogen 2.897 N/A VAL 86.A N LEU 103.A O no hydrogen 3.409 N/A VAL 87.A N PRO 160.A O no hydrogen 3.179 N/A ILE 88.A N TYR 101.A O no hydrogen 2.594 N/A TRP 89.A N LEU 162.A O no hydrogen 2.998 N/A VAL 90.A N GLN 99.A O no hydrogen 3.065 N/A SER 93.A OG VAL 92.A O no hydrogen 2.526 N/A SER 93.A OG ASP 97.A O no hydrogen 3.044 N/A ASN 96.A N ASN 95.A OD1 no hydrogen 2.696 N/A LYS 98.A NZ ASN 96.A O no hydrogen 3.289 N/A GLN 99.A N VAL 90.A O no hydrogen 3.191 N/A TYR 101.A N ILE 88.A O no hydrogen 2.679 N/A TYR 101.A OH GLN 99.A OE1 no hydrogen 2.807 N/A LEU 103.A N VAL 86.A O no hydrogen 2.916 N/A HIS 107.A ND1 SER 145.A OG no hydrogen 2.827 N/A CYS 109.A SG ASN 106.A O no hydrogen 3.396 N/A GLU 112.A N GLU 112.A OE1 no hydrogen 2.859 N/A GLN 113.A N VAL 110.A O no hydrogen 2.775 N/A VAL 114.A N VAL 110.A O no hydrogen 3.231 N/A ALA 118.A N VAL 114.A O no hydrogen 2.891 N/A ILE 119.A N ILE 115.A O no hydrogen 2.727 N/A ARG 120.A N ALA 116.A O no hydrogen 3.042 N/A LYS 121.A N GLU 117.A O no hydrogen 2.817 N/A LYS 122.A N ALA 118.A O no hydrogen 3.018 N/A LYS 122.A NZ TYR 101.A OH no hydrogen 2.552 N/A THR 123.A N ILE 119.A O no hydrogen 2.726 N/A THR 123.A OG1 ILE 119.A O no hydrogen 2.809 N/A THR 123.A OG1 THR 123.A O no hydrogen 2.632 N/A LYS 126.A NZ TYR 127.A OH no hydrogen 3.126 N/A ILE 128.A N MET 165.A O no hydrogen 2.577 N/A LYS 130.A N MET 163.A O no hydrogen 2.982 N/A LYS 130.A NZ VAL 131.A O no hydrogen 3.129 N/A LYS 130.A NZ CYS 134.A O no hydrogen 3.221 N/A LYS 130.A NZ ASP 617.A OD2 no hydrogen 3.389 N/A VAL 131.A N GLU 136.A O no hydrogen 2.934 N/A CYS 132.A N ASN 161.A O no hydrogen 3.267 N/A CYS 134.A N VAL 131.A O no hydrogen 3.307 N/A ASP 135.A N ALA 588.A O no hydrogen 2.792 N/A PHE 138.A N LEU 129.A O no hydrogen 2.885 N/A LYS 141.A N GLU 140.A OE1 no hydrogen 3.112 N/A LEU 144.A N CYS 109.A O no hydrogen 3.065 N/A SER 145.A N HIS 107.A O no hydrogen 2.823 N/A SER 145.A OG HIS 107.A ND1 no hydrogen 2.827 N/A SER 145.A OG HIS 107.A O no hydrogen 2.633 N/A GLN 146.A NE2 GLU 66.A O no hydrogen 2.479 N/A TYR 147.A N PRO 143.A O no hydrogen 3.172 N/A TYR 147.A OH GLU 140.A O no hydrogen 2.428 N/A LYS 148.A N ASN 64.A O no hydrogen 2.750 N/A ARG 151.A N TYR 147.A O no hydrogen 3.132 N/A ARG 151.A NE SER 145.A O no hydrogen 2.410 N/A ARG 151.A NH1 SER 68.A O no hydrogen 3.465 N/A ARG 151.A NH2 SER 68.A O no hydrogen 3.299 N/A ARG 151.A NH2 PRO 69.A O no hydrogen 3.181 N/A SER 152.A N LYS 148.A O no hydrogen 2.863 N/A CYS 153.A N TYR 149.A O no hydrogen 3.065 N/A CYS 153.A SG TYR 149.A O no hydrogen 3.374 N/A ILE 154.A N ILE 150.A O no hydrogen 3.156 N/A MET 155.A N ARG 151.A O no hydrogen 2.874 N/A LEU 156.A N SER 152.A O no hydrogen 3.270 N/A ARG 158.A N CYS 153.A O no hydrogen 2.811 N/A ASN 161.A N TYR 149.A OH no hydrogen 2.836 N/A ASN 161.A ND2 MET 159.A O no hydrogen 2.990 N/A LEU 162.A N VAL 87.A O no hydrogen 3.180 N/A MET 163.A N LYS 130.A O no hydrogen 2.968 N/A LEU 164.A N TRP 89.A O no hydrogen 2.687 N/A MET 165.A N ILE 128.A O no hydrogen 2.951 N/A LYS 167.A N LYS 126.A O no hydrogen 2.904 N/A LYS 167.A NZ GLY 125.A O no hydrogen 3.002 N/A SER 169.A N ALA 166.A O no hydrogen 3.024 N/A TYR 171.A N LYS 167.A O no hydrogen 2.944 N/A SER 172.A N GLU 168.A O no hydrogen 3.052 N/A SER 172.A OG GLU 168.A O no hydrogen 3.379 N/A SER 172.A OG SER 169.A O no hydrogen 2.749 N/A GLN 173.A N LEU 170.A O no hydrogen 3.007 N/A LEU 174.A N TYR 171.A O no hydrogen 3.022 N/A THR 180.A OG1 GLU 4.A OE2 no hydrogen 2.975 N/A SER 185.A N PRO 182.A O no hydrogen 3.353 N/A THR 189.A OG1 VAL 335.A O no hydrogen 2.750 N/A LYS 190.A N VAL 335.A O no hydrogen 2.781 N/A LEU 192.A N LYS 337.A O no hydrogen 2.797 N/A LEU 199.A N ILE 252.A O no hydrogen 3.123 N/A ILE 201.A N LEU 248.A O no hydrogen 3.035 N/A LYS 202.A N GLU 328.A O no hydrogen 3.198 N/A ILE 203.A N GLU 246.A O no hydrogen 3.135 N/A LEU 204.A N GLU 326.A O no hydrogen 3.320 N/A CYS 205.A SG ALA 206.A O no hydrogen 3.442 N/A CYS 205.A SG PRO 242.A O no hydrogen 3.172 N/A THR 207.A N CYS 324.A O no hydrogen 2.448 N/A THR 207.A OG1 CYS 324.A O no hydrogen 3.226 N/A THR 207.A OG1 GLU 326.A OE1 no hydrogen 3.038 N/A ASN 210.A ND2 LEU 274.A O no hydrogen 3.165 N/A ILE 215.A N VAL 237.A O no hydrogen 3.071 N/A TYR 216.A N CYS 268.A O no hydrogen 3.115 N/A TYR 216.A OH HIS 271.A ND1 no hydrogen 3.038 N/A VAL 217.A N THR 234.A OG1 no hydrogen 2.600 N/A ARG 218.A N SER 266.A O no hydrogen 2.464 N/A ARG 218.A NE ASN 231.A OD1 no hydrogen 3.339 N/A ARG 218.A NH2 ASN 231.A OD1 no hydrogen 2.901 N/A THR 219.A N VAL 232.A O no hydrogen 3.444 N/A THR 219.A OG1 VAL 232.A O no hydrogen 3.151 N/A THR 219.A OG1 TYR 250.A OH no hydrogen 2.837 N/A GLY 220.A N CYS 264.A O no hydrogen 3.253 N/A TYR 222.A N ARG 262.A O no hydrogen 3.008 N/A TYR 222.A OH ASN 231.A OD1 no hydrogen 3.305 N/A HIS 223.A N GLU 226.A O no hydrogen 3.216 N/A LEU 228.A N ILE 221.A O no hydrogen 2.716 N/A CYS 229.A SG ASP 230.A O no hydrogen 3.518 N/A VAL 232.A N THR 219.A O no hydrogen 3.388 N/A THR 234.A N ASN 233.A OD1 no hydrogen 2.368 N/A THR 234.A OG1 VAL 217.A O no hydrogen 2.654 N/A GLN 235.A N GLU 246.A OE1 no hydrogen 3.358 N/A VAL 237.A N ILE 215.A O no hydrogen 3.145 N/A CYS 239.A SG ASP 213.A O no hydrogen 3.199 N/A ARG 243.A N ASN 241.A O no hydrogen 2.704 N/A ARG 243.A NH1 LEU 204.A O no hydrogen 2.515 N/A TRP 244.A N LEU 204.A O no hydrogen 2.768 N/A ASN 245.A N LEU 204.A O no hydrogen 3.426 N/A GLU 246.A N ILE 203.A O no hydrogen 3.363 N/A LEU 248.A N ILE 201.A O no hydrogen 2.910 N/A TYR 250.A N LEU 199.A O no hydrogen 2.762 N/A TYR 250.A OH THR 219.A OG1 no hydrogen 2.837 N/A TYR 253.A OH ASN 196.A OD1 no hydrogen 2.306 N/A ILE 254.A N SER 197.A O no hydrogen 3.095 N/A LEU 257.A N ILE 254.A O no hydrogen 3.365 N/A ARG 259.A NE ASP 286.A OD1 no hydrogen 2.414 N/A ARG 259.A NH1 ARG 259.A O no hydrogen 2.912 N/A ARG 259.A NH1 TYR 474.A OH no hydrogen 2.491 N/A ARG 259.A NH2 ASP 286.A OD1 no hydrogen 2.735 N/A ALA 261.A N PRO 258.A O no hydrogen 3.128 N/A ARG 262.A N TYR 222.A O no hydrogen 3.117 N/A ARG 262.A NH2 ASN 278.A OD1 no hydrogen 2.524 N/A LEU 263.A N ILE 279.A O no hydrogen 2.725 N/A CYS 264.A N GLY 220.A O no hydrogen 2.956 N/A LEU 265.A N GLY 277.A O no hydrogen 2.550 N/A ILE 267.A N ALA 275.A O no hydrogen 3.054 N/A CYS 268.A N TYR 216.A O no hydrogen 2.884 N/A CYS 268.A SG SER 266.A O no hydrogen 3.947 N/A CYS 268.A SG SER 266.A OG no hydrogen 2.880 N/A SER 269.A N CYS 272.A O no hydrogen 2.985 N/A SER 269.A OG LYS 214.A O no hydrogen 3.209 N/A SER 269.A OG VAL 270.A O no hydrogen 3.451 N/A CYS 272.A SG SER 269.A O no hydrogen 3.320 N/A LEU 274.A N ILE 267.A O no hydrogen 2.492 N/A ALA 275.A N ILE 267.A O no hydrogen 3.353 N/A GLY 277.A N LEU 265.A O no hydrogen 3.228 N/A ASN 278.A ND2 ASN 309.A O no hydrogen 3.173 N/A ILE 279.A N LEU 263.A O no hydrogen 2.651 N/A ASN 280.A ND2 THR 314.A OG1 no hydrogen 2.606 N/A ASN 280.A ND2 GLN 473.A O no hydrogen 3.409 N/A LEU 281.A N ALA 261.A O no hydrogen 3.394 N/A TYR 284.A OH ASP 32.A OD2 no hydrogen 2.900 N/A ASP 286.A N ASP 283.A O no hydrogen 2.865 N/A LEU 288.A N VAL 336.A O no hydrogen 3.153 N/A VAL 289.A N LEU 281.A O no hydrogen 2.897 N/A GLY 291.A N ASP 330.A O no hydrogen 2.826 N/A MET 293.A N LEU 327.A O no hydrogen 2.455 N/A LEU 295.A N LEU 325.A O no hydrogen 2.941 N/A ASN 296.A N SER 316.A OG no hydrogen 2.968 N/A ASN 296.A ND2 SER 316.A OG no hydrogen 2.987 N/A LEU 297.A N PRO 323.A O no hydrogen 2.621 N/A TRP 298.A N TRP 276.A O no hydrogen 2.926 N/A TRP 298.A NE1 GLY 315.A O no hydrogen 2.900 N/A THR 314.A OG1 THR 314.A O no hydrogen 2.439 N/A ASN 317.A N ASN 296.A O no hydrogen 2.990 N/A ASN 319.A N ASN 317.A OD1 no hydrogen 2.893 N/A GLU 321.A N ASN 319.A OD1 no hydrogen 3.112 N/A THR 322.A N ASN 319.A O no hydrogen 3.323 N/A THR 322.A OG1 ASN 319.A O no hydrogen 2.413 N/A CYS 324.A SG LEU 295.A O no hydrogen 3.631 N/A LEU 325.A N LEU 295.A O no hydrogen 2.653 N/A GLU 326.A N CYS 205.A O no hydrogen 3.244 N/A LEU 327.A N MET 293.A O no hydrogen 2.520 N/A GLU 328.A N LYS 202.A O no hydrogen 3.362 N/A PHE 329.A N GLY 291.A O no hydrogen 3.157 N/A SER 333.A OG PHE 332.A O no hydrogen 2.650 N/A SER 334.A OG SER 333.A O no hydrogen 2.611 N/A LYS 337.A N LYS 190.A O no hydrogen 2.749 N/A LYS 337.A NZ THR 285.A O no hydrogen 2.962 N/A LYS 337.A NZ THR 287.A OG1 no hydrogen 2.980 N/A PHE 338.A N ASP 286.A O no hydrogen 3.032 N/A ILE 344.A N ASP 340.A O no hydrogen 3.231 N/A GLU 345.A N MET 341.A O no hydrogen 2.764 N/A GLU 346.A N SER 342.A O no hydrogen 3.222 N/A HIS 347.A N VAL 343.A O no hydrogen 2.946 N/A ALA 348.A N ILE 344.A O no hydrogen 3.043 N/A ASN 349.A N GLU 345.A O no hydrogen 3.243 N/A TRP 350.A N GLU 346.A O no hydrogen 3.027 N/A SER 351.A OG ALA 348.A O no hydrogen 2.742 N/A SER 351.A OG ASP 408.A OD1 no hydrogen 2.937 N/A VAL 352.A N ALA 348.A O no hydrogen 3.476 N/A GLU 355.A N GLU 355.A OE1 no hydrogen 2.875 N/A GLN 360.A N ASN 356.A O no hydrogen 2.561 N/A LEU 361.A N ASP 357.A O no hydrogen 2.931 N/A ALA 363.A N GLU 359.A O no hydrogen 3.305 N/A ILE 364.A N GLN 360.A O no hydrogen 3.113 N/A SER 365.A N LEU 361.A O no hydrogen 2.935 N/A SER 365.A OG LEU 361.A O no hydrogen 2.574 N/A THR 366.A N LYS 362.A O no hydrogen 3.094 N/A THR 366.A OG1 LYS 362.A O no hydrogen 3.352 N/A THR 366.A OG1 ALA 363.A O no hydrogen 3.243 N/A ARG 367.A N ILE 364.A O no hydrogen 3.300 N/A ARG 367.A NH2 GLU 377.A OE1 no hydrogen 2.506 N/A LEU 370.A N ASP 368.A O no hydrogen 2.771 N/A SER 371.A N ASP 368.A O no hydrogen 3.221 N/A SER 371.A OG ASP 368.A O no hydrogen 2.845 N/A LYS 372.A NZ LEU 370.A O no hydrogen 3.535 N/A GLU 375.A N GLU 375.A OE1 no hydrogen 2.867 N/A GLN 376.A N GLN 376.A OE1 no hydrogen 2.821 N/A GLU 377.A N THR 374.A OG1 no hydrogen 3.396 N/A LYS 378.A N THR 374.A O no hydrogen 2.683 N/A ASP 379.A N GLU 375.A O no hydrogen 2.692 N/A PHE 380.A N GLN 376.A O no hydrogen 2.924 N/A LEU 381.A N GLU 377.A O no hydrogen 2.930 N/A TRP 382.A N LYS 378.A O no hydrogen 3.162 N/A SER 383.A N ASP 379.A O no hydrogen 3.457 N/A SER 383.A OG PHE 380.A O no hydrogen 3.360 N/A TYR 387.A N HIS 384.A O no hydrogen 3.178 N/A CYS 388.A N HIS 384.A O no hydrogen 2.703 N/A CYS 388.A SG HIS 384.A O no hydrogen 3.186 N/A THR 390.A N TYR 387.A O no hydrogen 3.110 N/A THR 390.A OG1 TYR 387.A O no hydrogen 3.559 N/A ILE 391.A N CYS 388.A O no hydrogen 3.273 N/A ILE 394.A N ILE 391.A O no hydrogen 3.182 N/A LEU 395.A N PRO 392.A O no hydrogen 3.387 N/A LYS 397.A NZ ILE 364.A O no hydrogen 3.544 N/A LYS 397.A NZ ARG 367.A O no hydrogen 3.168 N/A LEU 398.A N ILE 394.A O no hydrogen 2.893 N/A LEU 399.A N LEU 395.A O no hydrogen 3.021 N/A SER 401.A N LYS 397.A O no hydrogen 3.225 N/A SER 401.A N LEU 398.A O no hydrogen 3.075 N/A SER 401.A OG LEU 398.A O no hydrogen 2.596 N/A VAL 402.A N LEU 398.A O no hydrogen 3.238 N/A LYS 403.A N GLU 409.A OE1 no hydrogen 3.207 N/A ARG 407.A N ASP 256.A OD1 no hydrogen 3.030 N/A ARG 407.A NE HIS 347.A NE2 no hydrogen 3.134 N/A GLU 409.A N SER 406.A OG no hydrogen 3.399 N/A VAL 410.A N SER 406.A O no hydrogen 3.297 N/A ALA 411.A N ARG 407.A O no hydrogen 3.056 N/A GLN 412.A N ASP 408.A O no hydrogen 2.949 N/A MET 413.A N GLU 409.A O no hydrogen 2.821 N/A TYR 414.A N VAL 410.A O no hydrogen 2.944 N/A TYR 414.A OH ASP 438.A OD1 no hydrogen 2.235 N/A CYS 415.A SG GLU 345.A OE1 no hydrogen 3.261 N/A CYS 415.A SG ALA 411.A O no hydrogen 3.668 N/A LEU 416.A N MET 413.A O no hydrogen 3.037 N/A VAL 417.A N MET 413.A O no hydrogen 3.181 N/A VAL 417.A N TYR 414.A O no hydrogen 3.106 N/A LYS 418.A N TYR 414.A O no hydrogen 3.392 N/A TRP 420.A N VAL 417.A O no hydrogen 3.169 N/A TRP 420.A NE1 PRO 392.A O no hydrogen 3.071 N/A ALA 428.A N LYS 424.A O no hydrogen 2.906 N/A MET 429.A N PRO 425.A O no hydrogen 2.990 N/A GLU 430.A N GLN 427.A O no hydrogen 3.202 N/A LEU 431.A N ALA 428.A O no hydrogen 3.192 N/A LEU 432.A N MET 429.A O no hydrogen 2.927 N/A ASP 433.A N GLU 430.A O no hydrogen 3.293 N/A CYS 434.A SG ASP 433.A OD2 no hydrogen 3.801 N/A CYS 434.A SG ASN 435.A OD1 no hydrogen 3.439 N/A TYR 436.A OH PRO 396.A O no hydrogen 2.550 N/A MET 440.A N ASP 438.A OD2 no hydrogen 2.991 N/A VAL 441.A N ASP 438.A OD2 no hydrogen 3.194 N/A ARG 442.A N ASP 438.A O no hydrogen 2.486 N/A ARG 442.A NE TYR 436.A O no hydrogen 3.248 N/A ARG 442.A NH2 TYR 436.A O no hydrogen 3.452 N/A GLY 443.A N PRO 439.A O no hydrogen 2.718 N/A PHE 444.A N MET 440.A O no hydrogen 2.998 N/A PHE 444.A N VAL 441.A O no hydrogen 3.160 N/A ARG 447.A N GLY 443.A O no hydrogen 3.377 N/A CYS 448.A N PHE 444.A O no hydrogen 3.299 N/A CYS 448.A SG PHE 444.A O no hydrogen 3.557 N/A LEU 449.A N ALA 445.A O no hydrogen 2.606 N/A GLU 450.A N VAL 446.A O no hydrogen 2.796 N/A LYS 451.A N CYS 448.A O no hydrogen 3.258 N/A TYR 452.A N CYS 448.A O no hydrogen 3.125 N/A LEU 453.A N LEU 449.A O no hydrogen 3.226 N/A THR 454.A OG1 SER 67.A OG no hydrogen 3.262 N/A THR 454.A OG1 ASP 456.A OD1 no hydrogen 2.461 N/A LYS 457.A N THR 454.A OG1 no hydrogen 3.411 N/A LYS 457.A NZ TYR 452.A O no hydrogen 2.996 N/A LEU 458.A N THR 454.A O no hydrogen 2.866 N/A SER 459.A N ASP 455.A O no hydrogen 3.041 N/A SER 459.A OG ASP 455.A O no hydrogen 2.582 N/A GLN 460.A N ASP 456.A O no hydrogen 2.937 N/A TYR 461.A N LYS 457.A O no hydrogen 2.937 N/A GLN 464.A N TYR 461.A O no hydrogen 2.829 N/A GLN 464.A NE2 GLN 645.A OE1 no hydrogen 2.929 N/A LEU 465.A N TYR 461.A O no hydrogen 2.921 N/A VAL 466.A N LEU 462.A O no hydrogen 3.189 N/A LEU 469.A N VAL 466.A O no hydrogen 3.073 N/A LYS 470.A NZ GLN 467.A OE1 no hydrogen 2.933 N/A LYS 470.A NZ GLU 504.A OE1 no hydrogen 3.149 N/A LYS 470.A NZ GLY 812.A O no hydrogen 3.527 N/A GLU 472.A N LEU 469.A O no hydrogen 3.073 N/A LEU 475.A N GLU 29.A OE2 no hydrogen 3.445 N/A VAL 480.A N ASN 477.A OD1 no hydrogen 2.921 N/A ARG 481.A NE ASP 476.A OD2 no hydrogen 3.275 N/A ARG 481.A NH1 ILE 37.A O no hydrogen 2.816 N/A ARG 481.A NH2 ILE 37.A O no hydrogen 3.198 N/A ARG 481.A NH2 ASP 476.A OD1 no hydrogen 2.579 N/A ARG 481.A NH2 ASP 476.A OD2 no hydrogen 3.049 N/A PHE 482.A N LEU 478.A O no hydrogen 3.339 N/A LEU 483.A N LEU 479.A O no hydrogen 2.988 N/A LEU 484.A N VAL 480.A O no hydrogen 2.665 N/A LYS 485.A N ARG 481.A O no hydrogen 3.338 N/A LYS 486.A N PHE 482.A O no hydrogen 3.200 N/A ALA 487.A N LEU 483.A O no hydrogen 3.132 N/A LEU 488.A N LEU 484.A O no hydrogen 3.199 N/A THR 489.A N LYS 486.A O no hydrogen 3.279 N/A THR 489.A OG1 LYS 485.A O no hydrogen 2.549 N/A ASN 490.A N LYS 486.A O no hydrogen 3.126 N/A GLN 491.A N TYR 59.A O no hydrogen 2.792 N/A ARG 492.A NH1 PRO 62.A O no hydrogen 2.558 N/A ARG 492.A NH2 PRO 63.A O no hydrogen 2.549 N/A GLY 494.A N ASN 490.A O no hydrogen 2.645 N/A HIS 495.A N GLN 491.A O no hydrogen 2.714 N/A HIS 495.A ND1 TYR 528.A OH no hydrogen 2.945 N/A HIS 495.A NE2 PRO 584.A O no hydrogen 2.389 N/A PHE 496.A N ARG 492.A O no hydrogen 3.438 N/A PHE 497.A N ILE 493.A O no hydrogen 2.779 N/A PHE 498.A N GLY 494.A O no hydrogen 2.901 N/A TRP 499.A N HIS 495.A O no hydrogen 3.250 N/A HIS 500.A N PHE 496.A O no hydrogen 2.955 N/A LEU 501.A N PHE 497.A O no hydrogen 3.331 N/A LYS 502.A N PHE 498.A O no hydrogen 2.979 N/A LYS 502.A NZ ALA 14.A O no hydrogen 2.862 N/A SER 503.A N TRP 499.A O no hydrogen 2.977 N/A SER 503.A OG TRP 499.A O no hydrogen 2.909 N/A SER 503.A OG HIS 500.A O no hydrogen 2.491 N/A SER 503.A OG SER 670.A O no hydrogen 3.508 N/A GLU 504.A N LEU 501.A O no hydrogen 2.968 N/A LYS 508.A NZ SER 511.A OG no hydrogen 3.398 N/A VAL 510.A N ASN 507.A O no hydrogen 3.190 N/A SER 511.A OG GLN 512.A OE1 no hydrogen 3.250 N/A GLN 512.A NE2 LYS 508.A O no hydrogen 3.098 N/A ARG 513.A NH1 GLU 472.A O no hydrogen 3.100 N/A PHE 514.A N VAL 510.A O no hydrogen 2.671 N/A GLY 515.A N SER 511.A O no hydrogen 2.654 N/A LEU 516.A N GLN 512.A O no hydrogen 3.296 N/A LEU 517.A N ARG 513.A O no hydrogen 3.195 N/A LEU 518.A N PHE 514.A O no hydrogen 2.752 N/A GLU 519.A N GLY 515.A O no hydrogen 3.088 N/A SER 520.A N LEU 516.A O no hydrogen 3.136 N/A SER 520.A OG LEU 516.A O no hydrogen 3.115 N/A TYR 521.A N LEU 517.A O no hydrogen 3.046 N/A CYS 522.A N LEU 518.A O no hydrogen 2.632 N/A CYS 522.A SG LEU 518.A O no hydrogen 3.345 N/A ARG 523.A N GLU 519.A O no hydrogen 2.939 N/A ALA 524.A N TYR 521.A O no hydrogen 3.188 N/A CYS 525.A SG CYS 522.A O no hydrogen 3.313 N/A TYR 528.A OH HIS 495.A ND1 no hydrogen 2.945 N/A LEU 529.A N GLY 526.A O no hydrogen 3.443 N/A LYS 530.A NZ MET 527.A O no hydrogen 3.539 N/A LEU 532.A N TYR 528.A O no hydrogen 2.653 N/A ASN 533.A N LEU 529.A O no hydrogen 2.650 N/A ASN 533.A ND2 LEU 529.A O no hydrogen 2.793 N/A ARG 534.A N LYS 530.A O no hydrogen 2.902 N/A ARG 534.A NH2 HIS 531.A ND1 no hydrogen 3.047 N/A GLN 535.A N HIS 531.A O no hydrogen 3.042 N/A GLN 535.A NE2 TYR 528.A OH no hydrogen 3.086 N/A GLN 535.A NE2 HIS 531.A O no hydrogen 3.587 N/A VAL 536.A N LEU 532.A O no hydrogen 2.755 N/A GLU 537.A N ASN 533.A O no hydrogen 2.888 N/A ALA 538.A N ARG 534.A O no hydrogen 2.803 N/A MET 539.A N GLN 535.A O no hydrogen 2.730 N/A GLU 540.A N VAL 536.A O no hydrogen 2.800 N/A LYS 541.A N GLU 537.A O no hydrogen 2.879 N/A LEU 542.A N ALA 538.A O no hydrogen 3.150 N/A ILE 543.A N MET 539.A O no hydrogen 2.649 N/A ASN 544.A N GLU 540.A O no hydrogen 3.259 N/A LEU 545.A N LYS 541.A O no hydrogen 2.831 N/A THR 546.A N LEU 542.A O no hydrogen 2.673 N/A THR 546.A OG1 LEU 542.A O no hydrogen 2.676 N/A THR 546.A OG1 ILE 543.A O no hydrogen 2.899 N/A ASP 547.A N ILE 543.A O no hydrogen 2.921 N/A ILE 548.A N ASN 544.A O no hydrogen 2.897 N/A LEU 549.A N LEU 545.A O no hydrogen 3.134 N/A LYS 550.A N THR 546.A O no hydrogen 2.941 N/A LYS 550.A NZ ASN 633.A O no hydrogen 2.936 N/A GLN 551.A N ILE 548.A O no hydrogen 3.309 N/A ASP 555.A N LYS 553.A O no hydrogen 2.886 N/A GLU 556.A N GLU 556.A OE1 no hydrogen 2.893 N/A THR 557.A OG1 GLN 558.A OE1 no hydrogen 3.097 N/A LYS 559.A NZ GLU 556.A OE1 no hydrogen 3.457 N/A GLN 561.A NE2 GLU 552.A O no hydrogen 2.245 N/A GLN 561.A NE2 LYS 553.A O no hydrogen 2.957 N/A LYS 563.A N LYS 559.A O no hydrogen 2.615 N/A PHE 564.A N VAL 560.A O no hydrogen 2.955 N/A LEU 565.A N GLN 561.A O no hydrogen 3.490 N/A VAL 566.A N MET 562.A O no hydrogen 3.245 N/A GLU 567.A N LYS 563.A O no hydrogen 3.155 N/A GLN 568.A N PHE 564.A O no hydrogen 2.942 N/A ARG 570.A NE VAL 566.A O no hydrogen 3.381 N/A PHE 574.A N ASP 573.A OD1 no hydrogen 2.583 N/A MET 575.A N ARG 571.A O no hydrogen 2.598 N/A ASP 576.A N PRO 572.A O no hydrogen 2.943 N/A LEU 578.A N MET 575.A O no hydrogen 3.093 N/A SER 583.A N HIS 589.A O no hydrogen 2.738 N/A SER 583.A OG ASN 586.A O no hydrogen 2.285 N/A SER 583.A OG HIS 589.A O no hydrogen 3.429 N/A ASN 586.A N SER 583.A O no hydrogen 3.187 N/A ASN 586.A N SER 583.A OG no hydrogen 2.905 N/A ASN 586.A ND2 GLU 679.A OE2 no hydrogen 3.386 N/A ALA 588.A N ASN 586.A OD1 no hydrogen 3.499 N/A HIS 589.A N ASN 586.A O no hydrogen 3.200 N/A LEU 591.A N PHE 581.A O no hydrogen 2.983 N/A GLY 592.A N GLU 614.A O no hydrogen 3.321 N/A ARG 595.A N ASN 612.A O no hydrogen 3.236 N/A ARG 595.A NE GLU 597.A OE2 no hydrogen 3.046 N/A ARG 595.A NH2 GLU 597.A OE2 no hydrogen 3.133 N/A GLU 598.A N ARG 595.A O no hydrogen 2.902 N/A CYS 599.A SG ARG 595.A O no hydrogen 3.174 N/A CYS 599.A SG ASN 612.A O no hydrogen 3.503 N/A ARG 600.A N TRP 610.A O no hydrogen 2.921 N/A MET 602.A N PRO 608.A O no hydrogen 3.425 N/A LYS 606.A N SER 604.A OG no hydrogen 3.104 N/A ARG 607.A N SER 604.A OG no hydrogen 3.214 N/A ARG 607.A NH1 LEU 549.A O no hydrogen 3.343 N/A LEU 609.A N PHE 631.A O no hydrogen 2.990 N/A TRP 610.A N ARG 600.A O no hydrogen 2.705 N/A LEU 611.A N ILE 629.A O no hydrogen 3.242 N/A TRP 613.A N ASN 627.A O no hydrogen 2.878 N/A TRP 613.A NE1 LEU 578.A O no hydrogen 3.029 N/A GLU 614.A N ASN 593.A O no hydrogen 2.737 N/A ASN 615.A ND2 GLY 133.A O no hydrogen 2.324 N/A ASN 615.A ND2 PHE 624.A O no hydrogen 3.302 N/A ASP 617.A N ASN 615.A O no hydrogen 2.653 N/A SER 620.A N ASP 617.A O no hydrogen 3.402 N/A SER 620.A OG GLN 625.A OE1 no hydrogen 2.266 N/A LEU 622.A N MET 619.A O no hydrogen 3.445 N/A LEU 623.A N SER 620.A O no hydrogen 3.381 N/A PHE 624.A N SER 620.A O no hydrogen 3.051 N/A ASN 627.A N TRP 613.A O no hydrogen 2.721 N/A ASN 627.A ND2 HIS 589.A ND1 no hydrogen 3.023 N/A ILE 629.A N LEU 611.A O no hydrogen 3.223 N/A ILE 630.A N ILE 678.A O no hydrogen 2.968 N/A PHE 631.A N LEU 609.A O no hydrogen 3.069 N/A LYS 632.A N GLY 676.A O no hydrogen 3.463 N/A ASN 633.A ND2 ILE 543.A O no hydrogen 3.476 N/A ASN 633.A ND2 THR 546.A OG1 no hydrogen 2.915 N/A GLY 634.A N CYS 674.A O no hydrogen 3.430 N/A ARG 638.A N ASP 636.A OD1 no hydrogen 3.063 N/A ARG 638.A NH1 SER 813.A O no hydrogen 2.248 N/A MET 641.A N LEU 637.A O no hydrogen 3.084 N/A LEU 642.A N ARG 638.A O no hydrogen 3.227 N/A THR 643.A N GLN 639.A O no hydrogen 3.076 N/A THR 643.A OG1 GLN 639.A O no hydrogen 2.823 N/A LEU 644.A N ASP 640.A O no hydrogen 2.947 N/A GLN 645.A N MET 641.A O no hydrogen 2.826 N/A GLN 645.A NE2 GLN 464.A OE1 no hydrogen 2.686 N/A ILE 646.A N LEU 642.A O no hydrogen 2.966 N/A ILE 647.A N THR 643.A O no hydrogen 3.023 N/A ARG 648.A N LEU 644.A O no hydrogen 3.252 N/A ILE 649.A N GLN 645.A O no hydrogen 3.168 N/A MET 650.A N ILE 646.A O no hydrogen 2.575 N/A GLU 651.A N ILE 647.A O no hydrogen 2.815 N/A ASN 652.A N ARG 648.A O no hydrogen 3.119 N/A ILE 653.A N ILE 649.A O no hydrogen 3.114 N/A TRP 654.A N MET 650.A O no hydrogen 3.147 N/A TRP 654.A NE1 ALA 792.A O no hydrogen 2.742 N/A GLN 655.A N GLU 651.A O no hydrogen 2.759 N/A GLN 655.A NE2 ASP 660.A OD1 no hydrogen 3.556 N/A GLN 655.A NE2 LEU 661.A O no hydrogen 2.251 N/A ASN 656.A N ASN 652.A O no hydrogen 3.092 N/A GLN 657.A N TRP 654.A O no hydrogen 3.251 N/A GLY 658.A N GLN 655.A O no hydrogen 3.215 N/A LEU 659.A N TRP 654.A O no hydrogen 3.040 N/A LEU 661.A N LEU 659.A O no hydrogen 2.746 N/A TYR 666.A OH ILE 753.A O no hydrogen 2.416 N/A CYS 668.A SG LEU 677.A O no hydrogen 3.744 N/A LEU 669.A N LEU 677.A O no hydrogen 3.234 N/A SER 670.A OG VAL 675.A O no hydrogen 3.559 N/A ILE 671.A N VAL 675.A O no hydrogen 2.854 N/A GLY 672.A N VAL 675.A O no hydrogen 3.418 N/A CYS 674.A SG ASP 673.A O no hydrogen 2.928 N/A GLY 676.A N LYS 632.A O no hydrogen 3.514 N/A LEU 677.A N LEU 669.A O no hydrogen 3.071 N/A ILE 678.A N ILE 630.A O no hydrogen 3.047 N/A GLU 679.A N GLY 667.A O no hydrogen 2.890 N/A VAL 680.A N GLU 628.A O no hydrogen 3.216 N/A SER 684.A OG ARG 682.A O no hydrogen 3.404 N/A THR 686.A OG1 GLN 689.A OE1 no hydrogen 2.780 N/A ILE 687.A N ILE 742.A O no hydrogen 3.247 N/A MET 688.A N ASN 739.A O no hydrogen 3.422 N/A GLN 689.A N THR 686.A O no hydrogen 3.059 N/A ILE 690.A N THR 686.A O no hydrogen 2.977 N/A GLN 691.A N ILE 687.A O no hydrogen 3.097 N/A GLN 691.A NE2 THR 697.A OG1 no hydrogen 3.410 N/A LYS 693.A NZ GLN 691.A OE1 no hydrogen 3.415 N/A HIS 699.A N HIS 696.A O no hydrogen 3.197 N/A HIS 699.A NE2 TYR 711.A OH no hydrogen 2.747 N/A GLN 700.A N HIS 696.A O no hydrogen 3.331 N/A TRP 701.A N THR 697.A O no hydrogen 3.366 N/A LEU 702.A N LEU 698.A O no hydrogen 3.503 N/A LYS 703.A N HIS 699.A O no hydrogen 2.884 N/A ASP 704.A N GLN 700.A O no hydrogen 3.017 N/A ASN 706.A N LYS 703.A O no hydrogen 3.372 N/A TYR 711.A N GLY 708.A O no hydrogen 3.399 N/A TYR 711.A OH HIS 699.A NE2 no hydrogen 2.747 N/A ILE 715.A N ASP 712.A O no hydrogen 2.909 N/A ASP 716.A N ASP 712.A O no hydrogen 2.420 N/A LEU 717.A N ALA 713.A O no hydrogen 2.915 N/A THR 719.A N ILE 715.A O no hydrogen 3.234 N/A THR 719.A OG1 ILE 715.A O no hydrogen 3.150 N/A THR 719.A OG1 ASP 716.A O no hydrogen 2.961 N/A SER 721.A N LEU 717.A O no hydrogen 2.574 N/A ALA 723.A N THR 719.A O no hydrogen 2.947 N/A CYS 726.A N CYS 722.A O no hydrogen 3.231 N/A CYS 726.A SG ALA 723.A O no hydrogen 3.163 N/A VAL 727.A N ALA 723.A O no hydrogen 3.240 N/A ALA 728.A N GLY 724.A O no hydrogen 3.193 N/A THR 729.A N TYR 725.A O no hydrogen 2.995 N/A THR 729.A OG1 TYR 725.A O no hydrogen 2.311 N/A PHE 730.A N CYS 726.A O no hydrogen 3.240 N/A ILE 731.A N VAL 727.A O no hydrogen 2.783 N/A LEU 732.A N ALA 728.A O no hydrogen 3.155 N/A GLY 733.A N PHE 730.A O no hydrogen 3.310 N/A ILE 734.A N THR 729.A O no hydrogen 2.809 N/A ARG 737.A NE THR 729.A OG1 no hydrogen 2.865 N/A ARG 737.A NH2 THR 729.A OG1 no hydrogen 2.821 N/A SER 740.A N HIS 738.A ND1 no hydrogen 3.306 N/A ASN 741.A N HIS 738.A O no hydrogen 2.967 N/A MET 743.A N PHE 751.A O no hydrogen 3.016 N/A VAL 744.A N HIS 685.A O no hydrogen 3.303 N/A LYS 745.A N GLN 749.A O no hydrogen 2.485 N/A LYS 745.A NZ GLN 749.A OE1 no hydrogen 3.465 N/A ASP 747.A N ASP 747.A OD1 no hydrogen 2.445 N/A GLY 748.A N LYS 745.A O no hydrogen 3.493 N/A LEU 750.A N SER 721.A OG no hydrogen 2.703 N/A PHE 751.A N MET 743.A O no hydrogen 2.821 N/A ILE 753.A N ASN 741.A O no hydrogen 2.580 N/A LEU 759.A N LEU 732.A O no hydrogen 2.544 N/A LEU 766.A N GLN 763.A O no hydrogen 2.894 N/A ILE 767.A N GLN 763.A O no hydrogen 3.359 N/A SER 770.A N LEU 766.A O no hydrogen 3.137 N/A SER 770.A OG LEU 766.A O no hydrogen 3.158 N/A SER 770.A OG ILE 767.A O no hydrogen 3.289 N/A LYS 771.A N VAL 768.A O no hydrogen 3.092 N/A GLY 772.A N ILE 767.A O no hydrogen 2.629 N/A CYS 776.A SG LEU 766.A O no hydrogen 3.187 N/A THR 779.A N CYS 776.A O no hydrogen 3.030 N/A THR 779.A OG1 CYS 776.A O no hydrogen 2.355 N/A ARG 780.A NH1 ARG 780.A O no hydrogen 2.782 N/A GLU 783.A N ARG 780.A O no hydrogen 3.080 N/A GLU 783.A N GLU 783.A OE1 no hydrogen 3.082 N/A ARG 784.A N GLU 781.A O no hydrogen 3.232 N/A PHE 785.A N GLU 781.A O no hydrogen 3.296 N/A GLN 786.A N PHE 782.A O no hydrogen 3.162 N/A GLU 787.A N GLU 783.A O no hydrogen 2.816 N/A MET 788.A N ARG 784.A O no hydrogen 3.264 N/A CYS 789.A SG PHE 785.A O no hydrogen 3.200 N/A TYR 790.A N GLN 786.A O no hydrogen 2.952 N/A LYS 791.A N GLU 787.A O no hydrogen 3.073 N/A ALA 792.A N CYS 789.A O no hydrogen 3.104 N/A TYR 793.A OH GLU 837.A O no hydrogen 3.382 N/A ALA 795.A N ALA 792.A O no hydrogen 2.985 N/A ARG 797.A N TYR 793.A O no hydrogen 2.467 N/A ARG 797.A NE ALA 832.A O no hydrogen 3.213 N/A ARG 797.A NH2 ALA 832.A O no hydrogen 3.082 N/A GLN 798.A N LEU 794.A O no hydrogen 2.760 N/A HIS 799.A N ILE 796.A O no hydrogen 3.120 N/A HIS 799.A ND1 ALA 795.A O no hydrogen 2.369 N/A ILE 804.A N ASN 801.A O no hydrogen 2.979 N/A ASN 805.A N ASN 801.A O no hydrogen 2.782 N/A ASN 805.A ND2 GLU 426.A O no hydrogen 3.591 N/A LEU 806.A N LEU 802.A O no hydrogen 3.062 N/A PHE 807.A N ILE 804.A O no hydrogen 3.134 N/A SER 808.A N ILE 804.A O no hydrogen 2.983 N/A SER 808.A OG GLU 430.A OE1 no hydrogen 2.746 N/A SER 808.A OG GLU 430.A OE2 no hydrogen 3.453 N/A SER 808.A OG ASP 433.A OD2 no hydrogen 3.140 N/A SER 808.A OG ASN 805.A O no hydrogen 2.884 N/A SER 813.A OG MET 810.A O no hydrogen 2.318 N/A LEU 818.A N MET 815.A O no hydrogen 3.227 N/A SER 820.A N ASP 823.A OD2 no hydrogen 3.393 N/A ASP 823.A N SER 820.A O no hydrogen 3.286 N/A ILE 824.A N PHE 821.A O no hydrogen 2.996 N/A ALA 825.A N ASP 822.A O no hydrogen 3.303 N/A ILE 827.A N ILE 824.A O no hydrogen 3.107 N/A ARG 828.A NE ASP 368.A OD2 no hydrogen 2.504 N/A ARG 828.A NH1 ASP 834.A OD2 no hydrogen 3.353 N/A ARG 828.A NH2 ASP 368.A OD1 no hydrogen 2.350 N/A ARG 828.A NH2 ASP 368.A OD2 no hydrogen 3.203 N/A ARG 828.A NH2 ASP 834.A OD2 no hydrogen 2.808 N/A LYS 829.A N ALA 825.A O no hydrogen 2.974 N/A THR 830.A N TYR 826.A O no hydrogen 3.010 N/A THR 830.A OG1 ILE 731.A O no hydrogen 3.139 N/A THR 830.A OG1 TYR 826.A O no hydrogen 3.292 N/A THR 830.A OG1 ILE 827.A O no hydrogen 3.494 N/A LEU 831.A N ILE 827.A O no hydrogen 3.137 N/A ALA 832.A N ARG 828.A O no hydrogen 2.860 N/A GLU 839.A N THR 836.A O no hydrogen 2.679 N/A ALA 840.A N THR 836.A O no hydrogen 2.572 N/A GLU 842.A N GLU 842.A OE1 no hydrogen 2.715 N/A PHE 844.A N LEU 841.A O no hydrogen 2.819 N/A MET 845.A N LEU 841.A O no hydrogen 3.384 N/A LYS 846.A N GLU 842.A O no hydrogen 3.301 N/A LYS 846.A NZ GLU 842.A O no hydrogen 2.945 N/A GLN 847.A N PHE 844.A O no hydrogen 3.292 N/A MET 848.A N PHE 844.A O no hydrogen 3.203 N/A ASN 849.A N MET 845.A O no hydrogen 2.841 N/A HIS 852.A N MET 848.A O no hydrogen 3.247 N/A GLY 854.A N ASN 849.A O no hydrogen 2.688 N/A