Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8fl3_NU.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 13.A N LYS 10.A O no hydrogen 3.494 N/A ALA 21.A N LEU 18.A O no hydrogen 3.187 N/A LYS 38.A NZ GLU 35.A OE1 no hydrogen 2.651 N/A THR 42.A N ASP 40.A OD1 no hydrogen 3.200 N/A THR 42.A OG1 ASP 40.A OD1 no hydrogen 2.898 N/A THR 42.A OG1 ASP 40.A OD2 no hydrogen 2.552 N/A ASN 46.A ND2 GLY 73.A O no hydrogen 3.672 N/A ARG 48.A N ASN 46.A OD1 no hydrogen 3.154 N/A LYS 49.A N ASN 46.A O no hydrogen 3.090 N/A LEU 50.A N ASN 46.A OD1 no hydrogen 3.170 N/A ASP 54.A N ASN 51.A OD1 no hydrogen 3.194 N/A LEU 55.A N ASN 51.A O no hydrogen 3.120 N/A LEU 56.A N ILE 52.A O no hydrogen 3.073 N/A SER 57.A N LYS 53.A O no hydrogen 3.148 N/A GLN 58.A N ASP 54.A O no hydrogen 2.814 N/A HIS 60.A N SER 57.A O no hydrogen 3.265 N/A HIS 61.A N GLN 58.A O no hydrogen 3.354 N/A ASN 63.A N HIS 61.A ND1 no hydrogen 3.211 N/A LYS 67.A NZ ASP 102.A OD1 no hydrogen 3.425 N/A GLN 68.A N ALA 64.A O no hydrogen 3.367 N/A SER 69.A N GLY 65.A O no hydrogen 3.209 N/A ALA 70.A N VAL 66.A O no hydrogen 2.923 N/A LEU 71.A N LYS 67.A O no hydrogen 2.955 N/A LEU 72.A N GLN 68.A O no hydrogen 3.009 N/A GLY 73.A N SER 69.A O no hydrogen 2.761 N/A LEU 74.A N ALA 70.A O no hydrogen 2.841 N/A LYS 75.A N LEU 71.A O no hydrogen 3.112 N/A LYS 75.A N LEU 72.A O no hydrogen 3.219 N/A ASP 76.A N LEU 72.A O no hydrogen 3.197 N/A LEU 77.A N GLY 73.A O no hydrogen 2.962 N/A LEU 78.A N LEU 74.A O no hydrogen 3.400 N/A SER 79.A N LYS 75.A O no hydrogen 3.113 N/A SER 79.A OG LYS 75.A O no hydrogen 2.628 N/A GLN 80.A N ASP 76.A O no hydrogen 3.096 N/A GLN 80.A NE2 ASN 47.A OD1 no hydrogen 3.443 N/A TYR 81.A N LEU 77.A O no hydrogen 2.903 N/A ILE 84.A N TYR 81.A O no hydrogen 3.163 N/A ILE 85.A N PRO 82.A O no hydrogen 3.022 N/A HIS 88.A N ILE 84.A O no hydrogen 3.288 N/A ILE 92.A N HIS 88.A O no hydrogen 3.040 N/A LEU 93.A N LEU 89.A O no hydrogen 3.073 N/A SER 94.A N SER 90.A O no hydrogen 3.132 N/A GLU 95.A N ASN 91.A O no hydrogen 3.232 N/A VAL 96.A N ILE 92.A O no hydrogen 2.987 N/A THR 97.A N LEU 93.A O no hydrogen 2.996 N/A THR 97.A OG1 LEU 93.A O no hydrogen 2.471 N/A THR 97.A OG1 SER 94.A O no hydrogen 3.428 N/A VAL 99.A N VAL 96.A O no hydrogen 3.224 N/A PHE 100.A N THR 97.A O no hydrogen 3.311 N/A ASP 102.A N VAL 99.A O no hydrogen 2.927 N/A ASN 106.A N ASP 104.A OD1 no hydrogen 2.938 N/A VAL 107.A N ASP 104.A OD1 no hydrogen 3.368 N/A ARG 108.A NE ASP 152.A OD2 no hydrogen 2.556 N/A ARG 108.A NH1 ASP 102.A O no hydrogen 2.513 N/A ARG 108.A NH1 LYS 103.A O no hydrogen 2.830 N/A ARG 108.A NH2 ASP 152.A OD2 no hydrogen 3.189 N/A LEU 109.A N ALA 105.A O no hydrogen 3.323 N/A ALA 110.A N ASN 106.A O no hydrogen 3.313 N/A ALA 111.A N VAL 107.A O no hydrogen 3.011 N/A VAL 112.A N ARG 108.A O no hydrogen 3.190 N/A GLN 113.A N LEU 109.A O no hydrogen 3.065 N/A LEU 114.A N ALA 110.A O no hydrogen 2.978 N/A LEU 115.A N ALA 111.A O no hydrogen 2.807 N/A GLN 116.A N VAL 112.A O no hydrogen 3.010 N/A PHE 117.A N GLN 113.A O no hydrogen 3.385 N/A LEU 118.A N LEU 114.A O no hydrogen 2.910 N/A ALA 119.A N LEU 115.A O no hydrogen 3.067 N/A LYS 121.A N LEU 118.A O no hydrogen 2.661 N/A ILE 122.A N LEU 118.A O no hydrogen 3.143 N/A ILE 127.A N ARG 123.A O no hydrogen 3.449 N/A PHE 130.A N ILE 127.A O no hydrogen 2.943 N/A PHE 131.A N SER 128.A O no hydrogen 3.468 N/A SER 135.A N PHE 131.A O no hydrogen 2.841 N/A ALA 136.A N PRO 132.A O no hydrogen 3.261 N/A HIS 137.A N LEU 133.A O no hydrogen 3.048 N/A LEU 138.A N VAL 134.A O no hydrogen 3.119 N/A SER 139.A N SER 135.A O no hydrogen 2.963 N/A SER 140.A N ALA 136.A O no hydrogen 3.311 N/A SER 140.A OG HIS 137.A O no hydrogen 2.410 N/A ALA 141.A N HIS 137.A O no hydrogen 3.269 N/A MET 142.A N LEU 138.A O no hydrogen 3.082 N/A MET 142.A N SER 139.A O no hydrogen 3.199 N/A THR 143.A N SER 139.A O no hydrogen 3.275 N/A THR 143.A OG1 SER 139.A O no hydrogen 3.518 N/A THR 146.A N HIS 144.A ND1 no hydrogen 3.207 N/A THR 146.A OG1 HIS 144.A ND1 no hydrogen 3.407 N/A GLN 150.A NE2 HIS 144.A O no hydrogen 2.512 N/A GLU 151.A N GLU 147.A O no hydrogen 3.068 N/A ASP 152.A N GLY 148.A O no hydrogen 2.893 N/A SER 153.A N ILE 149.A O no hydrogen 3.069 N/A SER 153.A OG GLN 150.A O no hydrogen 2.970 N/A LEU 154.A N GLU 151.A O no hydrogen 3.345 N/A LYS 155.A N ASP 152.A O no hydrogen 3.004 N/A LYS 155.A NZ ASP 152.A OD1 no hydrogen 2.578 N/A VAL 156.A N ASP 152.A O no hydrogen 3.344 N/A LEU 157.A N SER 153.A O no hydrogen 2.935 N/A ASP 158.A N LEU 154.A O no hydrogen 3.283 N/A LEU 160.A N VAL 156.A O no hydrogen 3.315 N/A LEU 161.A N LEU 157.A O no hydrogen 3.078 N/A LEU 161.A N ASP 158.A O no hydrogen 2.913 N/A GLU 162.A N ASP 158.A O no hydrogen 3.364 N/A GLN 163.A N ILE 159.A O no hydrogen 3.397 N/A TYR 164.A N LEU 160.A O no hydrogen 2.791 N/A TYR 164.A OH ILE 122.A O no hydrogen 3.057 N/A ILE 168.A N TYR 164.A O no hydrogen 3.042 N/A THR 169.A N PRO 165.A O no hydrogen 3.428 N/A THR 169.A OG1 PRO 165.A O no hydrogen 2.980 N/A THR 169.A OG1 ALA 166.A O no hydrogen 3.147 N/A GLY 170.A N LEU 167.A O no hydrogen 3.225 N/A LEU 175.A N ARG 171.A O no hydrogen 3.405 N/A LEU 176.A N SER 172.A O no hydrogen 2.887 N/A LYS 177.A N SER 173.A O no hydrogen 3.379 N/A LYS 177.A NZ GLU 181.A OE2 no hydrogen 3.431 N/A ASN 178.A N ILE 174.A O no hydrogen 3.026 N/A ASN 178.A ND2 SER 139.A OG no hydrogen 2.893 N/A PHE 179.A N LEU 175.A O no hydrogen 2.803 N/A VAL 180.A N LEU 176.A O no hydrogen 3.186 N/A GLU 181.A N LYS 177.A O no hydrogen 3.109 N/A LEU 182.A N PHE 179.A O no hydrogen 3.196 N/A ILE 183.A N VAL 180.A O no hydrogen 3.393 N/A SER 184.A OG VAL 180.A O no hydrogen 2.889 N/A HIS 185.A N ILE 193.A O no hydrogen 3.319 N/A GLN 187.A N SER 191.A O no hydrogen 3.317 N/A ILE 193.A N HIS 185.A O no hydrogen 3.295 N/A SER 195.A N ILE 183.A O no hydrogen 3.408 N/A ASN 199.A N ASN 197.A OD1 no hydrogen 3.315 N/A ARG 200.A N ASN 197.A O no hydrogen 3.165 N/A ARG 201.A NE GLU 151.A OE1 no hydrogen 3.465 N/A ARG 201.A NH2 GLU 151.A OE1 no hydrogen 3.145 N/A THR 203.A N GLN 206.A OE1 no hydrogen 3.014 N/A TRP 207.A N THR 203.A O no hydrogen 3.062 N/A TRP 207.A NE1 LEU 182.A O no hydrogen 3.007 N/A ARG 208.A N SER 204.A O no hydrogen 2.878 N/A ARG 208.A NH1 GLU 290.A OE1 no hydrogen 3.302 N/A LEU 209.A N GLN 205.A O no hydrogen 3.118 N/A LYS 210.A N GLN 206.A O no hydrogen 3.304 N/A VAL 211.A N TRP 207.A O no hydrogen 3.210 N/A LEU 212.A N ARG 208.A O no hydrogen 2.720 N/A VAL 213.A N LEU 209.A O no hydrogen 2.806 N/A ARG 214.A N LYS 210.A O no hydrogen 3.368 N/A ARG 214.A NE LEU 154.A O no hydrogen 3.453 N/A LEU 215.A N VAL 211.A O no hydrogen 3.067 N/A SER 216.A N LEU 212.A O no hydrogen 3.040 N/A LYS 217.A N VAL 213.A O no hydrogen 3.396 N/A PHE 218.A N ARG 214.A O no hydrogen 3.015 N/A LEU 219.A N LEU 215.A O no hydrogen 3.181 N/A GLN 220.A N SER 216.A O no hydrogen 3.114 N/A ALA 221.A N LYS 217.A O no hydrogen 3.120 N/A LEU 222.A N PHE 218.A O no hydrogen 3.175 N/A ALA 223.A N LEU 219.A O no hydrogen 2.857 N/A ASP 224.A N GLN 220.A O no hydrogen 3.101 N/A GLY 225.A N ALA 221.A O no hydrogen 2.893 N/A SER 226.A N LEU 222.A O no hydrogen 2.771 N/A SER 226.A OG GLN 319.A OE1 no hydrogen 2.305 N/A SER 227.A N ALA 223.A O no hydrogen 2.725 N/A ARG 228.A N ASP 224.A O no hydrogen 3.272 N/A LEU 229.A N SER 226.A O no hydrogen 3.156 N/A HIS 239.A N ASN 235.A O no hydrogen 3.093 N/A ALA 240.A N TRP 236.A O no hydrogen 2.535 N/A ASN 241.A N LYS 237.A O no hydrogen 3.013 N/A GLN 243.A N GLN 243.A OE1 no hydrogen 2.784 N/A TYR 249.A N GLY 252.A O no hydrogen 3.158 N/A SER 254.A OG GLY 253.A O no hydrogen 2.167 N/A ASN 257.A ND2 ASN 251.A O no hydrogen 3.609 N/A PHE 262.A N SER 260.A OG no hydrogen 3.204 N/A ASN 272.A ND2 GLY 266.A O no hydrogen 2.588 N/A LEU 273.A N SER 269.A O no hydrogen 3.018 N/A LYS 274.A N THR 270.A O no hydrogen 2.904 N/A GLY 275.A N GLU 271.A O no hydrogen 2.982 N/A PHE 276.A N ASN 272.A O no hydrogen 3.086 N/A ILE 277.A N LEU 273.A O no hydrogen 3.000 N/A GLU 278.A N LYS 274.A O no hydrogen 3.096 N/A ILE 279.A N GLY 275.A O no hydrogen 3.283 N/A ILE 280.A N PHE 276.A O no hydrogen 2.820 N/A ILE 281.A N ILE 277.A O no hydrogen 3.058 N/A LEU 284.A N ILE 280.A O no hydrogen 2.910 N/A ILE 285.A N ILE 281.A O no hydrogen 3.076 N/A GLU 286.A N PRO 282.A O no hydrogen 3.427 N/A CYS 287.A N LEU 283.A O no hydrogen 3.179 N/A CYS 287.A SG LEU 283.A O no hydrogen 3.378 N/A TRP 288.A N LEU 284.A O no hydrogen 3.056 N/A VAL 289.A N ILE 285.A O no hydrogen 2.892 N/A GLU 290.A N GLU 286.A O no hydrogen 3.301 N/A ALA 291.A N CYS 287.A O no hydrogen 3.195 N/A ALA 291.A N TRP 288.A O no hydrogen 2.982 N/A VAL 292.A N TRP 288.A O no hydrogen 3.108 N/A GLU 296.A N GLU 296.A OE1 no hydrogen 2.743 N/A LEU 300.A N GLU 296.A O no hydrogen 3.137 N/A GLN 301.A N ARG 297.A O no hydrogen 2.888 N/A VAL 302.A N GLU 298.A O no hydrogen 3.404 N/A MET 303.A N PRO 299.A O no hydrogen 3.247 N/A GLN 304.A N LEU 300.A O no hydrogen 2.931 N/A GLN 305.A N GLN 301.A O no hydrogen 2.896 N/A VAL 306.A N VAL 302.A O no hydrogen 3.028 N/A LEU 307.A N MET 303.A O no hydrogen 2.993 N/A ASN 308.A N GLN 304.A O no hydrogen 2.880 N/A ILE 309.A N GLN 305.A O no hydrogen 3.023 N/A ILE 310.A N VAL 306.A O no hydrogen 2.883 N/A SER 311.A N LEU 307.A O no hydrogen 2.632 N/A LEU 312.A N ASN 308.A O no hydrogen 3.034 N/A LEU 313.A N ILE 310.A O no hydrogen 3.378 N/A TRP 314.A N SER 311.A O no hydrogen 3.154 N/A LEU 316.A N LEU 312.A O no hydrogen 3.200 N/A SER 317.A N LEU 313.A O no hydrogen 3.006 N/A SER 317.A OG LEU 313.A O no hydrogen 3.226 N/A LYS 318.A N TRP 314.A O no hydrogen 2.664 N/A GLN 319.A N LEU 316.A O no hydrogen 3.239 N/A GLN 319.A NE2 ALA 223.A O no hydrogen 3.528 N/A TRP 329.A N LYS 325.A O no hydrogen 2.533 N/A LEU 330.A N LEU 326.A O no hydrogen 3.010 N/A ARG 331.A N GLU 327.A O no hydrogen 2.944 N/A ARG 331.A NE LEU 369.A O no hydrogen 3.476 N/A LYS 332.A N SER 328.A O no hydrogen 2.904 N/A ASN 333.A N TRP 329.A O no hydrogen 3.299 N/A TYR 334.A N LEU 330.A O no hydrogen 3.058 N/A PHE 338.A N TYR 334.A O no hydrogen 3.047 N/A LYS 339.A N LEU 335.A O no hydrogen 2.969 N/A HIS 340.A N ILE 336.A O no hydrogen 3.082 N/A HIS 341.A N ASP 337.A O no hydrogen 2.995 N/A PHE 342.A N PHE 338.A O no hydrogen 2.928 N/A MET 343.A N PHE 338.A O no hydrogen 3.067 N/A SER 344.A OG HIS 340.A O no hydrogen 3.224 N/A SER 344.A OG HIS 341.A O no hydrogen 3.180 N/A TYR 348.A N ASN 359.A OD1 no hydrogen 3.031 N/A TYR 348.A OH PHE 342.A O no hydrogen 2.369 N/A LEU 358.A N ASP 354.A O no hydrogen 3.424 N/A ASN 359.A N HIS 355.A O no hydrogen 3.191 N/A ASN 359.A ND2 TYR 348.A O no hydrogen 3.062 N/A LEU 360.A N LEU 356.A O no hydrogen 2.988 N/A THR 361.A N LEU 357.A O no hydrogen 2.906 N/A THR 361.A OG1 LEU 357.A O no hydrogen 2.692 N/A LEU 362.A N LEU 358.A O no hydrogen 3.198 N/A SER 363.A N ASN 359.A O no hydrogen 2.846 N/A SER 363.A OG ASN 359.A O no hydrogen 2.984 N/A ASP 364.A N LEU 360.A O no hydrogen 2.915 N/A ILE 365.A N THR 361.A O no hydrogen 2.943 N/A MET 366.A N LEU 362.A O no hydrogen 3.024 N/A VAL 367.A N SER 363.A O no hydrogen 2.941 N/A SER 368.A OG ASP 364.A O no hydrogen 2.804 N/A LEU 369.A N MET 366.A O no hydrogen 2.822 N/A ALA 370.A N MET 366.A O no hydrogen 3.443 N/A THR 374.A N ASN 371.A O no hydrogen 3.371 N/A THR 374.A N ASN 371.A OD1 no hydrogen 3.274 N/A THR 374.A OG1 ASN 371.A O no hydrogen 3.370 N/A THR 374.A OG1 ASN 371.A OD1 no hydrogen 2.037 N/A THR 374.A OG1 ASP 378.A OD2 no hydrogen 3.234 N/A LEU 375.A N ALA 372.A O no hydrogen 3.303 N/A GLN 376.A N GLN 376.A OE1 no hydrogen 2.445 N/A ASP 378.A N THR 374.A O no hydrogen 3.359 N/A ASP 378.A N LEU 375.A O no hydrogen 3.210 N/A CYS 379.A SG GLN 376.A O no hydrogen 3.667 N/A ILE 382.A N ASP 378.A O no hydrogen 3.244 N/A GLU 383.A N CYS 379.A O no hydrogen 3.088 N/A ILE 385.A N TRP 381.A O no hydrogen 3.372 N/A ARG 386.A N ILE 382.A O no hydrogen 3.028 N/A ARG 386.A NH2 GLU 383.A OE1 no hydrogen 2.343 N/A LYS 387.A N GLU 383.A O no hydrogen 2.906 N/A LYS 387.A NZ GLU 383.A OE1 no hydrogen 2.808 N/A PHE 388.A N MET 384.A O no hydrogen 3.115 N/A VAL 389.A N ILE 385.A O no hydrogen 2.840 N/A THR 390.A N ARG 386.A O no hydrogen 2.836 N/A THR 390.A OG1 ARG 386.A O no hydrogen 2.712 N/A GLU 391.A N LYS 387.A O no hydrogen 2.844 N/A THR 392.A N PHE 388.A O no hydrogen 3.002 N/A THR 392.A OG1 PHE 388.A O no hydrogen 2.673 N/A LEU 393.A N VAL 389.A O no hydrogen 3.086 N/A GLU 394.A N THR 390.A O no hydrogen 3.046 N/A GLU 394.A N GLU 391.A O no hydrogen 3.225 N/A GLN 403.A NE2 ASP 354.A OD2 no hydrogen 2.684 N/A LEU 404.A N ASN 400.A O no hydrogen 3.152 N/A ASN 405.A N SER 401.A O no hydrogen 2.906 N/A ARG 406.A N LYS 402.A O no hydrogen 3.128 N/A LEU 407.A N GLN 403.A O no hydrogen 2.948 N/A LEU 408.A N LEU 404.A O no hydrogen 2.827 N/A GLY 409.A N ASN 405.A O no hydrogen 3.240 N/A VAL 410.A N ARG 406.A O no hydrogen 3.232 N/A SER 411.A N LEU 407.A O no hydrogen 3.065 N/A SER 411.A OG LEU 407.A O no hydrogen 2.873 N/A TRP 412.A N LEU 408.A O no hydrogen 2.865 N/A ARG 413.A N GLY 409.A O no hydrogen 3.313 N/A ARG 413.A NH2 ALA 370.A O no hydrogen 3.386 N/A LEU 414.A N VAL 410.A O no hydrogen 2.878 N/A MET 415.A N SER 411.A O no hydrogen 3.010 N/A GLN 416.A N TRP 412.A O no hydrogen 3.211 N/A ILE 417.A N ARG 413.A O no hydrogen 3.028 N/A GLN 418.A N LEU 414.A O no hydrogen 2.862 N/A ASN 420.A ND2 ASP 423.A OD2 no hydrogen 2.783 N/A GLU 422.A N GLU 422.A OE1 no hydrogen 2.619 N/A THR 424.A N ASN 420.A O no hydrogen 3.108 N/A THR 424.A OG1 GLN 418.A O no hydrogen 3.239 N/A THR 424.A OG1 ASN 420.A O no hydrogen 3.020 N/A GLU 425.A N ARG 421.A O no hydrogen 2.861 N/A THR 426.A N GLU 422.A O no hydrogen 3.404 N/A THR 426.A OG1 GLU 422.A O no hydrogen 3.356 N/A THR 426.A OG1 ASP 423.A O no hydrogen 2.517 N/A LEU 427.A N ASP 423.A O no hydrogen 3.396 N/A ILE 428.A N THR 424.A O no hydrogen 3.001 N/A LYS 429.A N GLU 425.A O no hydrogen 2.706 N/A ALA 430.A N THR 426.A O no hydrogen 2.992 N/A VAL 431.A N LEU 427.A O no hydrogen 3.009 N/A TYR 432.A N ILE 428.A O no hydrogen 2.883 N/A THR 433.A N LYS 429.A O no hydrogen 3.161 N/A THR 433.A N ALA 430.A O no hydrogen 3.167 N/A THR 433.A OG1 LYS 429.A O no hydrogen 2.464 N/A THR 433.A OG1 ALA 430.A O no hydrogen 3.495 N/A TYR 435.A N VAL 431.A O no hydrogen 3.176 N/A TYR 435.A OH GLN 474.A OE1 no hydrogen 3.143 N/A GLN 436.A N TYR 432.A O no hydrogen 3.028 N/A GLN 437.A N LEU 434.A O no hydrogen 3.112 N/A ARG 445.A N ILE 441.A O no hydrogen 2.916 N/A ARG 445.A NH1 TYR 435.A O no hydrogen 2.695 N/A ARG 445.A NH2 GLN 437.A O no hydrogen 3.003 N/A THR 446.A N LEU 442.A O no hydrogen 2.895 N/A THR 446.A OG1 LEU 442.A O no hydrogen 2.976 N/A LEU 447.A N PRO 443.A O no hydrogen 3.370 N/A LEU 448.A N VAL 444.A O no hydrogen 3.286 N/A LEU 449.A N ARG 445.A O no hydrogen 3.119 N/A LYS 450.A N THR 446.A O no hydrogen 2.910 N/A PHE 451.A N LEU 447.A O no hydrogen 2.804 N/A PHE 452.A N LEU 448.A O no hydrogen 2.858 N/A SER 453.A N LEU 449.A O no hydrogen 2.821 N/A SER 453.A OG GLN 457.A OE1 no hydrogen 3.211 N/A LYS 454.A N LYS 450.A O no hydrogen 3.016 N/A ILE 455.A N PHE 451.A O no hydrogen 3.147 N/A TYR 456.A N PHE 452.A O no hydrogen 2.947 N/A GLN 457.A N SER 453.A O no hydrogen 3.173 N/A THR 458.A N ILE 455.A O no hydrogen 3.211 N/A THR 458.A OG1 LYS 454.A O no hydrogen 3.070 N/A SER 461.A OG GLU 425.A OE2 no hydrogen 2.226 N/A LYS 462.A NZ TYR 459.A OH no hydrogen 2.755 N/A SER 465.A N SER 461.A O no hydrogen 3.033 N/A SER 465.A OG SER 461.A O no hydrogen 3.006 N/A ARG 466.A N LYS 462.A O no hydrogen 2.779 N/A TRP 467.A N VAL 463.A O no hydrogen 2.811 N/A LEU 468.A N LEU 464.A O no hydrogen 3.214 N/A ALA 469.A N SER 465.A O no hydrogen 3.120 N/A GLY 470.A N TRP 467.A O no hydrogen 3.272 N/A LEU 471.A N LEU 468.A O no hydrogen 3.005 N/A GLN 474.A N GLY 470.A O no hydrogen 3.049 N/A LEU 475.A N LEU 471.A O no hydrogen 3.096 N/A ALA 476.A N PRO 472.A O no hydrogen 3.052 N/A HIS 477.A N LEU 473.A O no hydrogen 3.167 N/A LEU 478.A N GLN 474.A O no hydrogen 3.004 N/A ARG 481.A N LEU 478.A O no hydrogen 3.184 N/A ARG 481.A NE LEU 478.A O no hydrogen 3.263 N/A LEU 485.A N ASN 482.A OD1 no hydrogen 3.515 N/A SER 486.A OG ASN 482.A O no hydrogen 3.231 N/A THR 487.A N PRO 483.A O no hydrogen 3.238 N/A THR 487.A OG1 PRO 483.A O no hydrogen 3.008 N/A GLN 488.A NE2 THR 446.A OG1 no hydrogen 3.324 N/A LEU 489.A N LEU 485.A O no hydrogen 3.373 N/A ILE 490.A N SER 486.A O no hydrogen 3.012 N/A ASP 491.A N THR 487.A O no hydrogen 3.241 N/A ILE 492.A N GLN 488.A O no hydrogen 3.209 N/A ILE 493.A N LEU 489.A O no hydrogen 2.854 N/A HIS 494.A N ILE 490.A O no hydrogen 2.896 N/A THR 495.A N ASP 491.A O no hydrogen 2.974 N/A THR 495.A OG1 ASP 491.A O no hydrogen 2.606 N/A ALA 496.A N ILE 492.A O no hydrogen 3.011 N/A ALA 497.A N ILE 493.A O no hydrogen 2.770 N/A ALA 498.A N HIS 494.A O no hydrogen 2.939 N/A ARG 499.A N ALA 496.A O no hydrogen 3.097 N/A ALA 500.A N ALA 497.A O no hydrogen 3.057 N/A ASN 501.A N ALA 496.A O no hydrogen 3.330 N/A ASN 501.A ND2 GLU 503.A OE1 no hydrogen 2.401 N/A GLU 503.A N GLU 503.A OE1 no hydrogen 2.825 N/A LEU 504.A N ASN 501.A OD1 no hydrogen 3.090 N/A LEU 505.A N ASN 501.A O no hydrogen 3.008 N/A LYS 506.A N LYS 502.A O no hydrogen 3.262 N/A SER 507.A N GLU 503.A O no hydrogen 3.219 N/A SER 507.A OG ALA 469.A O no hydrogen 2.490 N/A LEU 508.A N LEU 504.A O no hydrogen 2.665 N/A GLN 509.A N LEU 505.A O no hydrogen 3.095 N/A GLN 509.A NE2 SER 543.A O no hydrogen 3.648 N/A ALA 510.A N LYS 506.A O no hydrogen 3.191 N/A THR 511.A N SER 507.A O no hydrogen 3.302 N/A ALA 512.A N GLN 509.A O no hydrogen 3.394 N/A ARG 514.A N THR 511.A O no hydrogen 2.892 N/A ILE 515.A N THR 511.A O no hydrogen 3.085 N/A TYR 516.A N ALA 512.A O no hydrogen 3.133 N/A TYR 516.A OH LEU 534.A O no hydrogen 2.474 N/A GLN 519.A N ASP 517.A OD1 no hydrogen 2.829 N/A GLU 520.A N ASP 517.A OD1 no hydrogen 3.010 N/A GLU 520.A N GLU 520.A OE1 no hydrogen 2.666 N/A GLY 521.A N ASP 517.A O no hydrogen 3.204 N/A ALA 522.A N ILE 515.A O no hydrogen 2.594 N/A VAL 523.A N ILE 515.A O no hydrogen 3.380 N/A LEU 526.A N ALA 522.A O no hydrogen 2.987 N/A GLN 531.A N PRO 527.A O no hydrogen 3.110 N/A GLN 531.A NE2 LEU 526.A O no hydrogen 3.180 N/A GLN 532.A N ALA 528.A O no hydrogen 3.324 N/A ARG 533.A NH1 ASP 491.A OD1 no hydrogen 2.718 N/A LEU 534.A N SER 530.A O no hydrogen 3.090 N/A VAL 535.A N GLN 531.A O no hydrogen 2.889 N/A GLN 536.A N GLN 532.A O no hydrogen 3.052 N/A LEU 537.A N ARG 533.A O no hydrogen 3.058 N/A LEU 537.A N LEU 534.A O no hydrogen 3.134 N/A VAL 538.A N VAL 535.A O no hydrogen 3.241 N/A PHE 540.A N LEU 537.A O no hydrogen 2.842 N/A SER 543.A OG TRP 589.A O no hydrogen 2.737 N/A LEU 544.A N LEU 590.A O no hydrogen 2.835 N/A LEU 549.A N PRO 545.A O no hydrogen 3.093 N/A SER 550.A N ALA 546.A O no hydrogen 2.948 N/A SER 550.A OG ALA 546.A O no hydrogen 3.514 N/A SER 550.A OG ASP 547.A O no hydrogen 2.715 N/A LEU 552.A N LEU 548.A O no hydrogen 2.978 N/A SER 553.A N LEU 549.A O no hydrogen 2.802 N/A SER 553.A OG THR 603.A OG1 no hydrogen 3.130 N/A ARG 554.A N SER 550.A O no hydrogen 3.056 N/A CYS 555.A N ARG 551.A O no hydrogen 3.169 N/A CYS 555.A SG ARG 551.A O no hydrogen 3.451 N/A CYS 556.A N SER 553.A O no hydrogen 3.249 N/A CYS 556.A SG LEU 552.A O no hydrogen 3.752 N/A ILE 557.A N SER 553.A O no hydrogen 3.176 N/A MET 558.A N ARG 554.A O no hydrogen 2.523 N/A SER 562.A OG SER 564.A OG no hydrogen 3.400 N/A SER 564.A OG SER 562.A OG no hydrogen 3.400 N/A ALA 566.A N SER 562.A O no hydrogen 2.856 N/A ALA 567.A N SER 563.A O no hydrogen 3.177 N/A ALA 567.A N SER 564.A O no hydrogen 3.159 N/A MET 568.A N SER 564.A O no hydrogen 3.268 N/A LEU 569.A N LEU 565.A O no hydrogen 3.059 N/A ILE 570.A N ALA 566.A O no hydrogen 3.242 N/A GLY 571.A N ALA 567.A O no hydrogen 3.095 N/A ILE 572.A N MET 568.A O no hydrogen 2.860 N/A LEU 573.A N LEU 569.A O no hydrogen 3.035 N/A HIS 574.A N ILE 570.A O no hydrogen 3.189 N/A MET 575.A N GLY 571.A O no hydrogen 3.190 N/A ARG 576.A N ILE 572.A O no hydrogen 3.088 N/A ARG 576.A NH1 LEU 541.A O no hydrogen 3.046 N/A ARG 576.A NH2 LEU 541.A O no hydrogen 2.923 N/A SER 577.A N HIS 574.A O no hydrogen 3.032 N/A SER 577.A OG HIS 574.A O no hydrogen 2.345 N/A SER 578.A OG SER 585.A O no hydrogen 2.600 N/A SER 580.A OG HIS 574.A O no hydrogen 3.006 N/A SER 580.A OG MET 575.A O no hydrogen 2.855 N/A SER 580.A OG SER 577.A O no hydrogen 3.502 N/A TYR 584.A OH ASP 593.A OD2 no hydrogen 2.661 N/A MET 591.A N LYS 587.A O no hydrogen 3.115 N/A SER 592.A OG ASP 588.A O no hydrogen 3.429 N/A SER 592.A OG ASP 595.A OD2 no hydrogen 3.495 N/A TYR 596.A N SER 592.A O no hydrogen 2.915 N/A PHE 597.A N ASP 593.A O no hydrogen 3.199 N/A SER 598.A N VAL 594.A O no hydrogen 3.182 N/A PHE 599.A N ASP 595.A O no hydrogen 3.122 N/A LEU 600.A N TYR 596.A O no hydrogen 3.189 N/A PHE 601.A N PHE 597.A O no hydrogen 3.063 N/A SER 602.A N SER 598.A O no hydrogen 3.053 N/A SER 602.A OG SER 598.A O no hydrogen 2.777 N/A THR 603.A N PHE 599.A O no hydrogen 2.998 N/A THR 603.A OG1 SER 553.A OG no hydrogen 3.130 N/A THR 603.A OG1 PHE 599.A O no hydrogen 2.909 N/A LEU 604.A N LEU 600.A O no hydrogen 2.721 N/A THR 605.A N PHE 601.A O no hydrogen 2.608 N/A THR 605.A OG1 PHE 601.A O no hydrogen 2.625 N/A GLY 606.A N SER 602.A O no hydrogen 3.400 N/A SER 608.A N GLU 611.A OE1 no hydrogen 3.427 N/A GLU 611.A N SER 608.A OG no hydrogen 3.328 N/A LEU 612.A N SER 608.A O no hydrogen 3.149 N/A THR 613.A N LYS 609.A O no hydrogen 3.140 N/A THR 613.A OG1 LYS 609.A O no hydrogen 2.775 N/A TRP 614.A N GLU 610.A O no hydrogen 3.230 N/A LEU 615.A N GLU 611.A O no hydrogen 3.026 N/A GLN 616.A N LEU 612.A O no hydrogen 3.230 N/A GLN 616.A N THR 613.A O no hydrogen 3.313 N/A GLN 616.A NE2 THR 681.A OG1 no hydrogen 2.674 N/A SER 617.A N TRP 614.A O no hydrogen 2.905 N/A SER 617.A OG TRP 614.A O no hydrogen 2.640 N/A LEU 618.A N LEU 615.A O no hydrogen 3.190 N/A VAL 624.A N VAL 621.A O no hydrogen 3.276 N/A ILE 625.A N LEU 634.A O no hydrogen 3.468 N/A GLN 626.A NE2 THR 627.A O no hydrogen 2.932 N/A GLN 626.A NE2 SER 630.A O no hydrogen 3.323 N/A GLN 628.A N GLN 628.A OE1 no hydrogen 2.572 N/A SER 630.A N THR 627.A O no hydrogen 3.112 N/A SER 630.A OG SER 715.A O no hydrogen 2.918 N/A SER 630.A OG SER 719.A OG no hydrogen 2.867 N/A LEU 633.A N THR 681.A O no hydrogen 2.612 N/A TYR 635.A N ILE 683.A O no hydrogen 2.960 N/A THR 637.A N ASP 685.A OD1 no hydrogen 2.927 N/A THR 637.A N ASP 685.A OD2 no hydrogen 3.433 N/A THR 637.A OG1 ASP 685.A OD1 no hydrogen 2.819 N/A THR 637.A OG1 ASP 685.A OD2 no hydrogen 3.368 N/A PHE 642.A N ASP 638.A O no hydrogen 2.715 N/A LEU 643.A N LEU 639.A O no hydrogen 2.623 N/A HIS 644.A N ASP 640.A O no hydrogen 2.692 N/A HIS 644.A NE2 CYS 556.A O no hydrogen 3.001 N/A HIS 645.A N GLN 641.A O no hydrogen 2.859 N/A HIS 645.A NE2 LEU 604.A O no hydrogen 3.133 N/A TRP 646.A N PHE 642.A O no hydrogen 2.785 N/A ASP 647.A N LEU 643.A O no hydrogen 3.027 N/A VAL 648.A N HIS 644.A O no hydrogen 3.090 N/A THR 649.A N HIS 645.A O no hydrogen 3.082 N/A ALA 651.A N VAL 648.A O no hydrogen 3.137 N/A PHE 653.A N THR 649.A O no hydrogen 3.049 N/A PHE 653.A N GLU 650.A O no hydrogen 3.205 N/A SER 655.A N ALA 651.A O no hydrogen 3.281 N/A SER 655.A OG ALA 651.A O no hydrogen 3.331 N/A LEU 656.A N VAL 652.A O no hydrogen 3.029 N/A LEU 657.A N PHE 653.A O no hydrogen 2.826 N/A VAL 658.A N HIS 654.A O no hydrogen 3.116 N/A ILE 659.A N LEU 656.A O no hydrogen 3.304 N/A ARG 662.A NH2 LEU 657.A O no hydrogen 3.435 N/A ASN 665.A N ALA 661.A O no hydrogen 3.123 N/A PHE 666.A N ARG 662.A O no hydrogen 2.939 N/A ASP 667.A N SER 663.A O no hydrogen 3.394 N/A ILE 668.A N GLN 664.A O no hydrogen 3.065 N/A LEU 669.A N ASN 665.A O no hydrogen 3.022 N/A GLN 670.A N PHE 666.A O no hydrogen 2.843 N/A GLN 670.A NE2 VAL 704.A O no hydrogen 3.204 N/A SER 671.A N ASP 667.A O no hydrogen 3.120 N/A ALA 672.A N ILE 668.A O no hydrogen 3.009 N/A ILE 673.A N LEU 669.A O no hydrogen 3.110 N/A SER 674.A N GLN 670.A O no hydrogen 2.790 N/A SER 674.A OG GLN 670.A O no hydrogen 3.088 N/A LYS 675.A N SER 671.A O no hydrogen 2.718 N/A HIS 676.A N ALA 672.A O no hydrogen 2.989 N/A LEU 677.A N ILE 673.A O no hydrogen 2.943 N/A VAL 678.A N ILE 673.A O no hydrogen 3.231 N/A LEU 680.A N LEU 677.A O no hydrogen 3.061 N/A VAL 682.A N GLN 616.A OE1 no hydrogen 3.078 N/A ILE 683.A N LEU 633.A O no hydrogen 2.795 N/A ASP 685.A N TYR 635.A O no hydrogen 2.867 N/A SER 686.A OG HIS 645.A ND1 no hydrogen 3.329 N/A THR 687.A OG1 THR 605.A O no hydrogen 2.852 N/A ALA 688.A N PRO 684.A O no hydrogen 2.928 N/A GLY 689.A N ASP 685.A O no hydrogen 3.009 N/A CYS 690.A N SER 686.A O no hydrogen 2.924 N/A CYS 690.A SG SER 686.A O no hydrogen 3.148 N/A VAL 691.A N THR 687.A O no hydrogen 2.875 N/A PHE 692.A N ALA 688.A O no hydrogen 2.958 N/A GLY 693.A N GLY 689.A O no hydrogen 2.936 N/A VAL 694.A N CYS 690.A O no hydrogen 3.197 N/A ILE 695.A N VAL 691.A O no hydrogen 3.413 N/A CYS 696.A N PHE 692.A O no hydrogen 3.172 N/A CYS 696.A SG PHE 692.A O no hydrogen 3.431 N/A CYS 696.A SG GLY 693.A O no hydrogen 2.989 N/A LYS 697.A N GLY 693.A O no hydrogen 3.146 N/A LEU 698.A N VAL 694.A O no hydrogen 2.663 N/A LEU 699.A N ILE 695.A O no hydrogen 2.925 N/A CYS 703.A N ASP 700.A O no hydrogen 2.946 N/A CYS 703.A SG ARG 662.A O no hydrogen 3.888 N/A CYS 703.A SG LEU 698.A O no hydrogen 3.959 N/A SER 706.A N GLN 670.A OE1 no hydrogen 2.690 N/A SER 706.A OG THR 708.A OG1 no hydrogen 3.024 N/A THR 708.A OG1 SER 706.A OG no hydrogen 3.024 N/A LEU 709.A N SER 706.A O no hydrogen 3.112 N/A LEU 710.A N GLU 707.A O no hydrogen 3.189 N/A LEU 713.A N LEU 709.A O no hydrogen 3.352 N/A ALA 714.A N LEU 710.A O no hydrogen 3.127 N/A SER 715.A N PRO 711.A O no hydrogen 3.134 N/A SER 715.A OG PRO 711.A O no hydrogen 3.283 N/A CYS 716.A N PHE 712.A O no hydrogen 2.974 N/A CYS 716.A SG PHE 712.A O no hydrogen 3.349 N/A CYS 717.A N LEU 713.A O no hydrogen 2.747 N/A CYS 717.A SG CYS 745.A O no hydrogen 3.484 N/A TYR 718.A N ALA 714.A O no hydrogen 3.195 N/A SER 719.A N SER 715.A O no hydrogen 2.957 N/A SER 719.A OG VAL 632.A O no hydrogen 3.256 N/A SER 719.A OG SER 715.A O no hydrogen 2.827 N/A LEU 720.A N CYS 716.A O no hydrogen 2.830 N/A LEU 721.A N CYS 717.A O no hydrogen 2.918 N/A TYR 722.A N TYR 718.A O no hydrogen 2.660 N/A PHE 723.A N SER 719.A O no hydrogen 2.936 N/A LEU 724.A N LEU 720.A O no hydrogen 2.756 N/A LEU 725.A N LEU 721.A O no hydrogen 2.881 N/A LEU 725.A N TYR 722.A O no hydrogen 3.231 N/A THR 726.A N TYR 722.A O no hydrogen 2.844 N/A THR 726.A OG1 TYR 722.A O no hydrogen 2.595 N/A THR 726.A OG1 PHE 723.A O no hydrogen 3.256 N/A LYS 737.A NZ THR 637.A O no hydrogen 2.412 N/A ARG 738.A N HIS 734.A O no hydrogen 2.812 N/A ARG 738.A N LEU 735.A O no hydrogen 3.216 N/A LEU 741.A N LYS 737.A O no hydrogen 2.942 N/A TRP 742.A N ARG 738.A O no hydrogen 2.797 N/A GLY 743.A N ASP 739.A O no hydrogen 3.076 N/A VAL 744.A N LYS 740.A O no hydrogen 3.225 N/A CYS 745.A N LEU 741.A O no hydrogen 3.118 N/A CYS 745.A SG LEU 741.A O no hydrogen 3.232 N/A CYS 745.A SG TRP 742.A O no hydrogen 3.058 N/A VAL 746.A N TRP 742.A O no hydrogen 3.116 N/A SER 747.A N GLY 743.A O no hydrogen 2.894 N/A SER 747.A OG GLY 743.A O no hydrogen 2.739 N/A ILE 748.A N VAL 744.A O no hydrogen 3.035 N/A ALA 750.A N VAL 746.A O no hydrogen 3.117 N/A LEU 751.A N SER 747.A O no hydrogen 2.962 N/A LEU 752.A N ILE 748.A O no hydrogen 2.870 N/A ARG 754.A NH1 GLU 707.A OE2 no hydrogen 3.242 N/A ARG 754.A NH2 GLU 707.A OE1 no hydrogen 3.112 N/A LEU 756.A N LEU 752.A O no hydrogen 3.378 N/A ARG 757.A N PRO 753.A O no hydrogen 2.755 N/A LEU 758.A N ARG 754.A O no hydrogen 2.912 N/A MET 759.A N VAL 755.A O no hydrogen 2.819 N/A LEU 760.A N LEU 756.A O no hydrogen 3.211 N/A GLN 761.A N ARG 757.A O no hydrogen 3.166 N/A SER 762.A N LEU 758.A O no hydrogen 2.861 N/A SER 762.A OG MET 759.A O no hydrogen 2.598 N/A LEU 763.A N LEU 760.A O no hydrogen 3.058 N/A ARG 764.A N SER 762.A O no hydrogen 2.673 N/A ARG 767.A N ARG 764.A O no hydrogen 3.227 N/A VAL 768.A N VAL 765.A O no hydrogen 2.967 N/A GLU 772.A N GLY 769.A O no hydrogen 3.309 N/A LEU 773.A N PRO 770.A O no hydrogen 3.213 N/A VAL 776.A N GLU 772.A O no hydrogen 3.201 N/A GLY 777.A N LEU 773.A O no hydrogen 3.087 N/A GLN 778.A N PRO 774.A O no hydrogen 3.053 N/A LEU 779.A N VAL 775.A O no hydrogen 3.055 N/A LEU 780.A N VAL 776.A O no hydrogen 2.849 N/A ARG 781.A N GLY 777.A O no hydrogen 2.988 N/A LEU 782.A N GLN 778.A O no hydrogen 2.603 N/A LEU 783.A N LEU 779.A O no hydrogen 3.056 N/A LEU 784.A N LEU 780.A O no hydrogen 3.101 N/A LEU 784.A N ARG 781.A O no hydrogen 2.660 N/A ARG 790.A N ALA 787.A O no hydrogen 3.025 N/A MET 793.A N LEU 789.A O no hydrogen 3.338 N/A LEU 794.A N ARG 790.A O no hydrogen 2.966 N/A ASN 796.A N MET 793.A O no hydrogen 2.842 N/A ALA 797.A N LEU 794.A O no hydrogen 3.079 N/A VAL 800.A N ASN 796.A O no hydrogen 2.595 N/A GLN 801.A N ALA 797.A O no hydrogen 2.825 N/A GLN 802.A N ILE 798.A O no hydrogen 3.027 N/A ILE 803.A N LEU 799.A O no hydrogen 3.207 N/A ILE 804.A N VAL 800.A O no hydrogen 3.092 N/A LYS 805.A N GLN 801.A O no hydrogen 2.949 N/A ASN 806.A N GLN 802.A O no hydrogen 2.987 N/A ILE 807.A N ILE 803.A O no hydrogen 3.034 N/A THR 808.A N ILE 804.A O no hydrogen 2.955 N/A THR 809.A N LYS 805.A O no hydrogen 2.933 N/A LEU 810.A N ASN 806.A O no hydrogen 2.966 N/A LYS 811.A N ILE 807.A O no hydrogen 3.075 N/A LYS 811.A N THR 808.A O no hydrogen 3.234 N/A GLY 813.A N LYS 811.A O no hydrogen 2.895 N/A THR 821.A N GLU 817.A O no hydrogen 3.372 N/A ASP 822.A N GLN 818.A O no hydrogen 2.799 N/A LEU 823.A N TRP 819.A O no hydrogen 2.703 N/A HIS 824.A N LEU 820.A O no hydrogen 3.017 N/A TYR 825.A N THR 821.A O no hydrogen 2.881 N/A CYS 826.A N ASP 822.A O no hydrogen 2.877 N/A PHE 827.A N LEU 823.A O no hydrogen 2.919 N/A ASN 828.A N HIS 824.A O no hydrogen 2.982 N/A VAL 829.A N TYR 825.A O no hydrogen 2.951 N/A TYR 830.A N CYS 826.A O no hydrogen 3.085 N/A ILE 831.A N PHE 827.A O no hydrogen 3.118 N/A