Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3mjw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 6.A N SER 2.A O no hydrogen 3.126 N/A ALA 7.A N GLU 3.A O no hydrogen 2.939 N/A PHE 8.A N GLU 4.A O no hydrogen 3.280 N/A GLN 9.A N SER 5.A O no hydrogen 3.111 N/A GLN 9.A NE2 GLU 469.A OE2 no hydrogen 3.229 N/A ARG 10.A N GLN 6.A O no hydrogen 2.960 N/A GLN 11.A N ALA 7.A O no hydrogen 3.010 N/A LEU 12.A N PHE 8.A O no hydrogen 3.050 N/A THR 13.A N GLN 9.A O no hydrogen 3.013 N/A THR 13.A OG1 GLN 9.A O no hydrogen 2.927 N/A THR 13.A OG1 ASP 19.A OD1 no hydrogen 3.558 N/A ALA 14.A N ARG 10.A O no hydrogen 3.187 N/A LEU 15.A N GLN 11.A O no hydrogen 2.999 N/A ILE 16.A N LEU 12.A O no hydrogen 2.941 N/A GLY 17.A N THR 13.A O no hydrogen 2.953 N/A THR 21.A OG1 ASP 19.A OD1 no hydrogen 2.663 N/A THR 21.A OG1 ASP 19.A OD2 no hydrogen 3.014 N/A ASP 22.A N ASP 19.A O no hydrogen 3.343 N/A SER 24.A OG ASP 22.A OD1 no hydrogen 3.095 N/A SER 24.A OG ASP 22.A OD2 no hydrogen 2.807 N/A ASN 25.A ND2 THR 278.A O no hydrogen 3.191 N/A PHE 33.A N ASP 29.A O no hydrogen 2.818 N/A THR 34.A N GLU 30.A O no hydrogen 2.834 N/A THR 34.A OG1 GLU 30.A O no hydrogen 3.026 N/A ARG 35.A N LEU 31.A O no hydrogen 3.320 N/A ARG 35.A NE GLU 469.A OE1 no hydrogen 3.456 N/A ARG 35.A NE GLU 469.A OE2 no hydrogen 3.152 N/A ARG 35.A NH1 GLU 32.A OE1 no hydrogen 3.221 N/A ARG 35.A NH2 GLU 469.A OE2 no hydrogen 3.123 N/A ARG 36.A N GLU 32.A O no hydrogen 3.247 N/A ARG 36.A NH1 GLU 32.A O no hydrogen 3.198 N/A ARG 36.A NH1 GLU 32.A OE1 no hydrogen 3.143 N/A GLY 37.A N PHE 33.A O no hydrogen 3.046 N/A LEU 38.A N THR 34.A O no hydrogen 2.881 N/A ARG 42.A N LEU 38.A O no hydrogen 3.026 N/A MET 43.A N VAL 39.A O no hydrogen 2.763 N/A ALA 44.A N THR 40.A O no hydrogen 2.867 N/A GLU 45.A N PRO 41.A O no hydrogen 3.276 N/A VAL 46.A N ARG 42.A O no hydrogen 3.137 N/A ALA 47.A N MET 43.A O no hydrogen 2.891 N/A SER 48.A N ALA 44.A O no hydrogen 3.259 N/A SER 48.A OG ALA 44.A O no hydrogen 3.089 N/A ARG 49.A NH1 GLY 474.A O no hydrogen 3.449 N/A ARG 49.A NH2 GLY 474.A O no hydrogen 3.077 N/A LEU 53.A N ASP 50.A OD2 no hydrogen 2.952 N/A TYR 54.A N ASP 50.A O no hydrogen 2.910 N/A TYR 54.A OH CYS 475.A O no hydrogen 2.762 N/A ALA 55.A N PRO 51.A O no hydrogen 3.219 N/A MET 56.A N LYS 52.A O no hydrogen 3.378 N/A HIS 57.A ND1 ALA 55.A O no hydrogen 3.093 N/A TRP 59.A NE1 ASP 405.A OD1 no hydrogen 3.268 N/A THR 61.A N ASN 132.A O no hydrogen 3.010 N/A THR 61.A OG1 GLU 403.A OE1 no hydrogen 3.099 N/A THR 61.A OG1 ASP 405.A OD2 no hydrogen 3.076 N/A SER 62.A N GLU 403.A OE1 no hydrogen 3.488 N/A SER 62.A N GLU 403.A OE2 no hydrogen 2.830 N/A SER 62.A OG GLU 403.A OE2 no hydrogen 3.320 N/A LYS 63.A N THR 61.A OG1 no hydrogen 3.167 N/A TRP 70.A N GLU 67.A O no hydrogen 3.022 N/A LYS 71.A N TYR 68.A O no hydrogen 3.320 N/A ILE 78.A N VAL 93.A O no hydrogen 2.623 N/A ILE 80.A N ILE 91.A O no hydrogen 3.169 N/A VAL 81.A N ILE 146.A O no hydrogen 3.204 N/A ILE 82.A N GLN 89.A O no hydrogen 3.187 N/A HIS 83.A N VAL 148.A O no hydrogen 2.988 N/A THR 87.A N ARG 84.A O no hydrogen 2.724 N/A THR 87.A OG1 ARG 84.A O no hydrogen 2.894 N/A GLN 89.A N ILE 82.A O no hydrogen 3.273 N/A THR 90.A N GLN 89.A OE1 no hydrogen 3.160 N/A ILE 91.A N ILE 80.A O no hydrogen 3.146 N/A VAL 93.A N ILE 78.A O no hydrogen 2.910 N/A SER 94.A N ASP 97.A OD2 no hydrogen 3.303 N/A ASP 97.A N SER 94.A O no hydrogen 2.869 N/A ILE 102.A N THR 98.A O no hydrogen 2.781 N/A LEU 103.A N PRO 99.A O no hydrogen 2.943 N/A GLN 104.A N GLY 100.A O no hydrogen 2.917 N/A SER 105.A N ALA 101.A O no hydrogen 2.961 N/A PHE 106.A N ILE 102.A O no hydrogen 2.997 N/A PHE 106.A N LEU 103.A O no hydrogen 2.854 N/A PHE 107.A N LEU 103.A O no hydrogen 3.111 N/A THR 108.A N GLN 104.A O no hydrogen 2.972 N/A THR 108.A OG1 GLN 104.A O no hydrogen 2.942 N/A THR 108.A OG1 SER 105.A O no hydrogen 3.021 N/A LYS 109.A N SER 105.A O no hydrogen 3.151 N/A MET 110.A N PHE 106.A O no hydrogen 2.906 N/A MET 110.A N PHE 107.A O no hydrogen 3.248 N/A VAL 114.A N ASP 151.A O no hydrogen 3.074 N/A ARG 116.A N VAL 149.A O no hydrogen 3.064 N/A ARG 116.A NE VAL 117.A O no hydrogen 3.088 N/A ARG 116.A NH2 ASP 570.A OD2 no hydrogen 2.683 N/A VAL 117.A N GLU 122.A O no hydrogen 2.954 N/A CYS 118.A N HIS 147.A O no hydrogen 3.193 N/A ARG 120.A NH1 ASP 539.A OD1 no hydrogen 3.334 N/A ARG 120.A NH1 ASP 539.A OD2 no hydrogen 3.437 N/A ARG 120.A NH2 ASP 539.A OD2 no hydrogen 2.936 N/A LEU 124.A N LEU 115.A O no hydrogen 3.081 N/A ILE 130.A N ASP 97.A O no hydrogen 3.053 N/A LYS 131.A N PRO 95.A O no hydrogen 3.310 N/A GLN 134.A N TRP 59.A O no hydrogen 3.310 N/A ARG 137.A N PHE 133.A O no hydrogen 3.083 N/A HIS 138.A N GLN 134.A O no hydrogen 2.722 N/A HIS 138.A N TRP 135.A O no hydrogen 3.061 N/A CYS 139.A N TRP 135.A O no hydrogen 2.975 N/A CYS 139.A SG TRP 135.A O no hydrogen 3.287 N/A LEU 140.A N VAL 136.A O no hydrogen 3.346 N/A LYS 141.A N ARG 137.A O no hydrogen 3.348 N/A LYS 141.A NZ ASP 612.A OD1 no hydrogen 3.048 N/A LYS 141.A NZ ASP 612.A OD2 no hydrogen 3.239 N/A ASN 142.A N HIS 138.A O no hydrogen 3.035 N/A GLY 143.A N LEU 140.A O no hydrogen 3.220 N/A GLU 144.A N CYS 139.A O no hydrogen 2.791 N/A HIS 147.A ND1 HIS 83.A NE2 no hydrogen 2.835 N/A HIS 147.A NE2 GLU 145.A OE1 no hydrogen 3.219 N/A VAL 148.A N VAL 81.A O no hydrogen 2.858 N/A LEU 150.A N HIS 83.A O no hydrogen 3.044 N/A ASP 151.A N VAL 114.A O no hydrogen 3.353 N/A ALA 157.A N ASP 155.A OD1 no hydrogen 3.460 N/A LEU 158.A N ASP 155.A O no hydrogen 3.048 N/A ASP 159.A N PRO 156.A O no hydrogen 2.940 N/A ARG 162.A NH1 GLU 4.A O no hydrogen 3.353 N/A ARG 167.A NH1 LYS 168.A O no hydrogen 2.920 N/A ARG 167.A NH1 GLU 216.A OE2 no hydrogen 3.228 N/A PHE 169.A N ILE 219.A O no hydrogen 2.932 N/A ARG 170.A N ASN 294.A OD1 no hydrogen 3.372 N/A VAL 171.A N LEU 215.A O no hydrogen 3.082 N/A LYS 172.A N LEU 291.A O no hydrogen 3.319 N/A ILE 173.A N VAL 213.A O no hydrogen 2.932 N/A ARG 174.A N SER 289.A O no hydrogen 2.943 N/A ARG 174.A NH1 GLU 259.A OE1 no hydrogen 3.050 N/A ILE 176.A N VAL 209.A O no hydrogen 2.963 N/A ASP 177.A N SER 287.A O no hydrogen 3.276 N/A ILE 178.A N GLU 207.A O no hydrogen 2.919 N/A PHE 183.A N TYR 235.A O no hydrogen 3.189 N/A VAL 184.A N THR 200.A OG1 no hydrogen 3.055 N/A GLU 185.A N GLN 233.A O no hydrogen 2.922 N/A ALA 186.A N ARG 198.A O no hydrogen 2.920 N/A ASN 187.A N ASN 231.A O no hydrogen 2.927 N/A ASN 187.A ND2 GLU 185.A OE1 no hydrogen 3.189 N/A ASN 187.A ND2 ASN 231.A O no hydrogen 3.445 N/A ASN 187.A ND2 ASN 231.A OD1 no hydrogen 3.224 N/A ILE 188.A N CYS 196.A O no hydrogen 3.025 N/A GLN 189.A N LEU 229.A O no hydrogen 2.864 N/A HIS 190.A N GLN 193.A O no hydrogen 2.774 N/A GLN 193.A N HIS 190.A O no hydrogen 3.274 N/A LEU 195.A N ILE 188.A O no hydrogen 3.037 N/A ARG 198.A N ALA 186.A O no hydrogen 3.381 N/A ARG 198.A NE GLU 216.A O no hydrogen 2.840 N/A THR 200.A N VAL 184.A O no hydrogen 3.003 N/A LYS 203.A N VAL 182.A O no hydrogen 3.071 N/A THR 206.A OG1 GLU 208.A O no hydrogen 3.033 N/A VAL 209.A N ILE 176.A O no hydrogen 3.071 N/A TRP 211.A N ARG 174.A O no hydrogen 2.885 N/A TRP 211.A NE1 SER 201.A O no hydrogen 2.704 N/A ASN 212.A ND2 ASN 212.A O no hydrogen 3.158 N/A VAL 213.A N ILE 173.A O no hydrogen 3.514 N/A LEU 215.A N VAL 171.A O no hydrogen 2.934 N/A PHE 217.A N PHE 169.A O no hydrogen 2.873 N/A ALA 228.A N PRO 225.A O no hydrogen 3.056 N/A LEU 229.A N GLN 189.A O no hydrogen 2.880 N/A LEU 230.A N LEU 246.A O no hydrogen 2.976 N/A ASN 231.A N ASN 187.A O no hydrogen 2.757 N/A ASN 231.A ND2 ASN 245.A OD1 no hydrogen 2.955 N/A LEU 232.A N VAL 244.A O no hydrogen 2.942 N/A GLN 233.A N GLU 185.A O no hydrogen 3.031 N/A ILE 234.A N TYR 242.A O no hydrogen 2.935 N/A TYR 235.A N PHE 183.A O no hydrogen 3.193 N/A TYR 235.A OH GLU 185.A OE1 no hydrogen 2.947 N/A TYR 235.A OH GLN 233.A OE1 no hydrogen 2.659 N/A CYS 236.A N ARG 239.A O no hydrogen 3.176 N/A LEU 241.A N ILE 234.A O no hydrogen 2.939 N/A TYR 243.A N TRP 265.A O no hydrogen 3.035 N/A TYR 243.A OH HIS 459.A NE2 no hydrogen 3.008 N/A VAL 244.A N LEU 232.A O no hydrogen 3.015 N/A ASN 245.A ND2 LYS 273.A O no hydrogen 3.133 N/A ASN 245.A ND2 THR 275.A O no hydrogen 3.329 N/A LEU 248.A N ALA 228.A O no hydrogen 3.003 N/A ASP 250.A N LEU 254.A O no hydrogen 2.962 N/A HIS 251.A NE2 ASP 29.A OD2 no hydrogen 3.155 N/A ARG 252.A N ASP 250.A OD1 no hydrogen 3.038 N/A ARG 252.A NH1 ASP 29.A OD1 no hydrogen 3.374 N/A PHE 253.A N ASP 250.A O no hydrogen 3.254 N/A LEU 254.A N ASP 250.A OD1 no hydrogen 2.717 N/A ARG 256.A N LEU 248.A O no hydrogen 2.874 N/A ARG 256.A NE LEU 247.A O no hydrogen 2.604 N/A ARG 256.A NH2 LEU 247.A O no hydrogen 3.156 N/A GLY 258.A N LEU 292.A O no hydrogen 2.796 N/A TYR 260.A N ILE 290.A O no hydrogen 3.333 N/A LEU 262.A N ILE 288.A O no hydrogen 2.789 N/A MET 264.A N MET 286.A O no hydrogen 2.944 N/A TRP 265.A N TYR 243.A O no hydrogen 3.098 N/A TRP 265.A NE1 ALA 277.A O no hydrogen 3.068 N/A ILE 267.A N LEU 241.A O no hydrogen 3.269 N/A ALA 271.A N MET 766.A O no hydrogen 2.924 N/A LYS 273.A N ASN 270.A O no hydrogen 3.341 N/A LEU 274.A N ALA 271.A O no hydrogen 3.480 N/A THR 275.A OG1 HIS 459.A O no hydrogen 2.789 N/A ALA 277.A N THR 275.A OG1 no hydrogen 2.972 N/A THR 278.A OG1 ASN 25.A OD1 no hydrogen 3.236 N/A ASN 279.A N HIS 263.A O no hydrogen 3.189 N/A ASN 279.A ND2 MET 264.A O no hydrogen 3.183 N/A ASP 281.A N ASN 279.A OD1 no hydrogen 2.977 N/A LYS 282.A NZ SER 24.A O no hydrogen 2.892 N/A ASN 284.A N ASP 281.A O no hydrogen 3.466 N/A SER 285.A N ASP 281.A O no hydrogen 3.016 N/A SER 285.A OG HIS 263.A ND1 no hydrogen 3.379 N/A SER 285.A OG ASP 281.A O no hydrogen 2.747 N/A SER 287.A N ASP 177.A O no hydrogen 2.880 N/A SER 289.A N GLY 175.A O no hydrogen 3.121 N/A ILE 290.A N TYR 260.A O no hydrogen 3.207 N/A LEU 291.A N LYS 172.A O no hydrogen 2.973 N/A LEU 292.A N GLY 258.A O no hydrogen 2.790 N/A ASN 294.A ND2 ARG 170.A O no hydrogen 3.027 N/A ARG 303.A N PRO 299.A O no hydrogen 3.061 N/A ARG 303.A NH1 GLU 332.A OE2 no hydrogen 3.543 N/A LYS 304.A N ASN 300.A O no hydrogen 3.023 N/A GLN 305.A N GLN 301.A O no hydrogen 3.105 N/A LEU 306.A N LEU 302.A O no hydrogen 2.868 N/A GLU 307.A N ARG 303.A O no hydrogen 2.842 N/A ALA 308.A N LYS 304.A O no hydrogen 3.098 N/A ILE 309.A N GLN 305.A O no hydrogen 3.302 N/A ILE 309.A N LEU 306.A O no hydrogen 3.242 N/A ILE 310.A N LEU 306.A O no hydrogen 3.206 N/A THR 312.A OG1 ILE 309.A O no hydrogen 2.830 N/A LEU 315.A N ASP 313.A OD1 no hydrogen 3.209 N/A ASN 316.A N ASP 313.A O no hydrogen 3.148 N/A ASN 316.A ND2 THR 312.A OG1 no hydrogen 3.138 N/A THR 319.A N ASP 322.A OD2 no hydrogen 3.388 N/A LYS 323.A N THR 319.A O no hydrogen 2.829 N/A GLU 324.A N ALA 320.A O no hydrogen 3.025 N/A LEU 325.A N GLU 321.A O no hydrogen 3.000 N/A LEU 326.A N ASP 322.A O no hydrogen 2.826 N/A TRP 327.A N LYS 323.A O no hydrogen 2.954 N/A HIS 328.A N GLU 324.A O no hydrogen 3.064 N/A PHE 329.A N LEU 325.A O no hydrogen 3.390 N/A ARG 330.A NE TRP 327.A O no hydrogen 2.993 N/A SER 333.A N ARG 330.A O no hydrogen 3.198 N/A SER 333.A OG PHE 329.A O no hydrogen 2.777 N/A LEU 334.A N ARG 330.A O no hydrogen 2.839 N/A LYS 335.A NZ GLU 332.A OE1 no hydrogen 3.062 N/A HIS 336.A N SER 333.A O no hydrogen 3.015 N/A ALA 339.A N HIS 336.A O no hydrogen 3.220 N/A TYR 340.A N PRO 337.A O no hydrogen 3.174 N/A TYR 340.A OH LEU 334.A O no hydrogen 3.235 N/A LYS 342.A NZ THR 312.A O no hydrogen 3.521 N/A LEU 343.A N ALA 339.A O no hydrogen 2.966 N/A PHE 344.A N TYR 340.A O no hydrogen 3.014 N/A SER 345.A N PRO 341.A O no hydrogen 3.157 N/A SER 346.A N LEU 343.A O no hydrogen 3.309 N/A SER 346.A OG LEU 343.A O no hydrogen 2.737 N/A LYS 348.A NZ GLN 351.A OE1 no hydrogen 3.384 N/A TRP 349.A NE1 PHE 344.A O no hydrogen 3.210 N/A GLN 352.A N ASP 223.A OD1 no hydrogen 3.273 N/A VAL 355.A N GLN 351.A O no hydrogen 3.130 N/A ALA 356.A N GLN 352.A O no hydrogen 3.050 N/A LYS 357.A N GLU 353.A O no hydrogen 3.103 N/A THR 358.A N ILE 354.A O no hydrogen 2.887 N/A THR 358.A OG1 ILE 354.A O no hydrogen 3.319 N/A TYR 359.A N VAL 355.A O no hydrogen 2.965 N/A TYR 359.A OH ASP 388.A OD1 no hydrogen 2.817 N/A TYR 359.A OH ASP 388.A OD2 no hydrogen 2.929 N/A GLN 360.A N ALA 356.A O no hydrogen 3.165 N/A LEU 361.A N LYS 357.A O no hydrogen 3.000 N/A LEU 361.A N THR 358.A O no hydrogen 2.990 N/A LEU 362.A N THR 358.A O no hydrogen 3.208 N/A ARG 364.A N LEU 361.A O no hydrogen 3.195 N/A ARG 365.A NE LEU 362.A O no hydrogen 2.645 N/A ARG 365.A NH2 LEU 362.A O no hydrogen 3.046 N/A TRP 368.A NE1 ILE 394.A O no hydrogen 3.122 N/A ASP 369.A N ARG 365.A O no hydrogen 3.334 N/A GLN 370.A N VAL 367.A O no hydrogen 3.071 N/A SER 371.A N TRP 368.A O no hydrogen 3.085 N/A SER 371.A OG TRP 368.A O no hydrogen 2.819 N/A LEU 377.A N ASP 374.A OD1 no hydrogen 3.179 N/A THR 378.A N ASP 374.A O no hydrogen 2.863 N/A THR 378.A OG1 ASP 374.A O no hydrogen 3.103 N/A MET 379.A N VAL 375.A O no hydrogen 2.919 N/A GLN 380.A NE2 GLY 376.A O no hydrogen 3.183 N/A LEU 382.A N MET 379.A O no hydrogen 2.916 N/A CYS 384.A SG ASN 385.A OD1 no hydrogen 3.559 N/A ASN 385.A N ASP 383.A OD1 no hydrogen 2.904 N/A PHE 386.A N ASP 383.A O no hydrogen 3.309 N/A ARG 392.A N ASP 388.A O no hydrogen 3.009 N/A ARG 392.A NE GLU 421.A OE1 no hydrogen 3.004 N/A ARG 392.A NH1 LEU 382.A O no hydrogen 2.890 N/A ARG 392.A NH2 ASP 383.A O no hydrogen 3.112 N/A ARG 392.A NH2 PHE 386.A O no hydrogen 2.938 N/A ALA 393.A N GLU 389.A O no hydrogen 3.040 N/A ILE 394.A N VAL 391.A O no hydrogen 3.230 N/A ALA 395.A N ARG 392.A O no hydrogen 3.283 N/A VAL 396.A N ARG 392.A O no hydrogen 3.168 N/A GLN 397.A N ALA 393.A O no hydrogen 3.019 N/A GLN 397.A NE2 ASP 369.A OD1 no hydrogen 3.139 N/A LYS 398.A NZ TRP 368.A O no hydrogen 2.916 N/A LYS 398.A NZ SER 371.A O no hydrogen 2.656 N/A LEU 399.A N ALA 395.A O no hydrogen 3.126 N/A LEU 399.A N VAL 396.A O no hydrogen 3.034 N/A GLU 400.A N GLN 397.A O no hydrogen 3.281 N/A SER 401.A OG LYS 398.A O no hydrogen 3.259 N/A LEU 402.A N LEU 399.A O no hydrogen 3.467 N/A ASP 406.A N GLU 403.A O no hydrogen 3.101 N/A VAL 407.A N GLU 403.A O no hydrogen 3.379 N/A LEU 408.A N ASP 404.A O no hydrogen 3.309 N/A TYR 410.A N ASP 406.A O no hydrogen 3.189 N/A TYR 410.A N VAL 407.A O no hydrogen 3.149 N/A LEU 414.A N TYR 410.A O no hydrogen 2.990 N/A VAL 415.A N LEU 411.A O no hydrogen 2.958 N/A GLN 416.A N LEU 412.A O no hydrogen 2.971 N/A GLN 416.A NE2 GLU 453.A OE2 no hydrogen 2.969 N/A VAL 418.A N VAL 415.A O no hydrogen 3.080 N/A LYS 419.A N GLN 416.A O no hydrogen 3.209 N/A LYS 419.A NZ GLN 416.A OE1 no hydrogen 3.492 N/A LYS 419.A NZ GLU 453.A OE2 no hydrogen 3.275 N/A LYS 419.A NZ THR 767.A O no hydrogen 3.389 N/A PHE 420.A N ALA 417.A O no hydrogen 3.102 N/A GLU 421.A N VAL 418.A O no hydrogen 3.115 N/A TYR 423.A OH ILE 249.A O no hydrogen 2.722 N/A HIS 424.A N GLU 30.A OE2 no hydrogen 3.179 N/A ALA 429.A N SER 426.A OG no hydrogen 3.316 N/A ARG 430.A N SER 426.A O no hydrogen 2.987 N/A ARG 430.A NE ASP 425.A OD1 no hydrogen 2.765 N/A ARG 430.A NE ASP 425.A OD2 no hydrogen 3.466 N/A PHE 431.A N LEU 428.A O no hydrogen 2.927 N/A LEU 432.A N LEU 428.A O no hydrogen 2.986 N/A LEU 433.A N ALA 429.A O no hydrogen 2.975 N/A LYS 434.A N ARG 430.A O no hydrogen 2.883 N/A ARG 435.A N PHE 431.A O no hydrogen 2.909 N/A ARG 435.A NH1 LEU 402.A O no hydrogen 3.476 N/A ARG 435.A NH2 LEU 402.A O no hydrogen 2.714 N/A ARG 435.A NH2 ASP 404.A OD1 no hydrogen 3.073 N/A GLY 436.A N LEU 432.A O no hydrogen 3.038 N/A LEU 437.A N LEU 433.A O no hydrogen 3.183 N/A ARG 438.A NE GLU 45.A OE2 no hydrogen 2.894 N/A ARG 438.A NH2 GLU 45.A OE1 no hydrogen 2.852 N/A ARG 438.A NH2 GLU 45.A OE2 no hydrogen 3.402 N/A ASN 439.A ND2 ASP 404.A OD2 no hydrogen 3.275 N/A LYS 440.A NZ ASP 159.A OD1 no hydrogen 2.857 N/A ARG 441.A N ASN 439.A OD1 no hydrogen 2.669 N/A ILE 442.A N ASN 439.A OD1 no hydrogen 3.210 N/A GLY 443.A N ASN 439.A O no hydrogen 3.028 N/A HIS 444.A N LYS 440.A O no hydrogen 3.134 N/A HIS 444.A N ARG 441.A O no hydrogen 3.021 N/A HIS 444.A NE2 PRO 537.A O no hydrogen 2.976 N/A PHE 445.A N ARG 441.A O no hydrogen 3.278 N/A LEU 446.A N ILE 442.A O no hydrogen 2.826 N/A PHE 447.A N GLY 443.A O no hydrogen 3.140 N/A TRP 448.A N HIS 444.A O no hydrogen 3.351 N/A PHE 449.A N PHE 445.A O no hydrogen 2.989 N/A LEU 450.A N LEU 446.A O no hydrogen 3.051 N/A ARG 451.A N PHE 447.A O no hydrogen 2.899 N/A ARG 451.A NE LEU 15.A O no hydrogen 2.866 N/A SER 452.A N TRP 448.A O no hydrogen 2.984 N/A GLU 453.A N LEU 450.A O no hydrogen 3.066 N/A ILE 454.A N LEU 450.A O no hydrogen 2.839 N/A GLN 456.A N GLU 453.A O no hydrogen 3.257 N/A GLN 456.A NE2 SER 452.A O no hydrogen 2.836 N/A GLN 456.A NE2 SER 622.A OG no hydrogen 2.904 N/A TYR 460.A OH ALA 271.A O no hydrogen 2.811 N/A GLN 461.A N SER 457.A O no hydrogen 3.032 N/A GLN 462.A NE2 ASN 25.A O no hydrogen 3.527 N/A ARG 463.A NH1 GLU 421.A O no hydrogen 2.802 N/A ARG 463.A NH2 GLU 421.A O no hydrogen 3.373 N/A PHE 464.A N TYR 460.A O no hydrogen 3.093 N/A ALA 465.A N GLN 461.A O no hydrogen 2.903 N/A VAL 466.A N GLN 462.A O no hydrogen 3.247 N/A ILE 467.A N ARG 463.A O no hydrogen 3.170 N/A LEU 468.A N PHE 464.A O no hydrogen 2.801 N/A GLU 469.A N ALA 465.A O no hydrogen 3.058 N/A ALA 470.A N VAL 466.A O no hydrogen 3.276 N/A TYR 471.A N ILE 467.A O no hydrogen 3.066 N/A LEU 472.A N LEU 468.A O no hydrogen 2.807 N/A ARG 473.A N GLU 469.A O no hydrogen 2.983 N/A GLY 474.A N TYR 471.A O no hydrogen 3.102 N/A CYS 475.A SG LEU 472.A O no hydrogen 3.447 N/A CYS 475.A SG GLY 476.A O no hydrogen 3.494 N/A THR 477.A N GLU 160.A O no hydrogen 2.885 N/A THR 477.A OG1 GLU 160.A O no hydrogen 2.994 N/A LEU 480.A N GLY 476.A O no hydrogen 3.134 N/A HIS 481.A N THR 477.A O no hydrogen 3.381 N/A ASP 482.A N ALA 478.A O no hydrogen 3.284 N/A PHE 483.A N MET 479.A O no hydrogen 2.915 N/A THR 484.A N LEU 480.A O no hydrogen 3.033 N/A THR 484.A OG1 LEU 480.A O no hydrogen 2.809 N/A GLN 485.A N HIS 481.A O no hydrogen 3.381 N/A GLN 485.A N ASP 482.A O no hydrogen 2.972 N/A GLN 486.A N ASP 482.A O no hydrogen 3.165 N/A VAL 487.A N PHE 483.A O no hydrogen 2.908 N/A GLN 488.A N THR 484.A O no hydrogen 3.204 N/A VAL 489.A N GLN 485.A O no hydrogen 2.996 N/A ILE 490.A N GLN 486.A O no hydrogen 3.301 N/A GLU 491.A N VAL 487.A O no hydrogen 3.002 N/A MET 492.A N GLN 488.A O no hydrogen 2.906 N/A LEU 493.A N VAL 489.A O no hydrogen 2.855 N/A GLN 494.A N ILE 490.A O no hydrogen 3.025 N/A GLN 494.A NE2 ILE 490.A O no hydrogen 3.406 N/A VAL 496.A N MET 492.A O no hydrogen 3.372 N/A THR 497.A N GLN 494.A O no hydrogen 3.113 N/A THR 497.A OG1 LEU 493.A O no hydrogen 2.781 N/A LEU 498.A N GLN 494.A O no hydrogen 3.143 N/A ASP 499.A N LYS 495.A O no hydrogen 2.874 N/A ILE 500.A N VAL 496.A O no hydrogen 3.164 N/A LYS 501.A N THR 497.A O no hydrogen 3.306 N/A LYS 501.A NZ HIS 585.A O no hydrogen 2.964 N/A SER 502.A N LEU 498.A O no hydrogen 3.203 N/A SER 502.A OG ASP 499.A O no hydrogen 2.965 N/A LEU 503.A N ILE 500.A O no hydrogen 3.251 N/A SER 504.A N LYS 501.A O no hydrogen 3.336 N/A TYR 508.A N ALA 505.A O no hydrogen 2.926 N/A VAL 514.A N SER 511.A O no hydrogen 3.041 N/A ILE 515.A N SER 511.A O no hydrogen 3.492 N/A GLN 517.A N GLN 513.A O no hydrogen 2.888 N/A LEU 518.A N VAL 514.A O no hydrogen 2.682 N/A LYS 519.A NZ GLU 550.A O no hydrogen 3.487 N/A GLN 520.A N GLN 517.A O no hydrogen 3.028 N/A LYS 521.A N GLN 517.A O no hydrogen 2.955 N/A LYS 521.A N LEU 518.A O no hydrogen 3.074 N/A LEU 522.A N LEU 518.A O no hydrogen 3.189 N/A GLN 526.A N LEU 522.A O no hydrogen 3.242 N/A ASN 527.A N GLU 523.A O no hydrogen 2.832 N/A ASN 527.A ND2 GLU 523.A O no hydrogen 2.896 N/A SER 528.A N LEU 525.A O no hydrogen 3.081 N/A SER 528.A OG ASN 524.A O no hydrogen 2.509 N/A LEU 530.A N LEU 525.A O no hydrogen 2.916 N/A PHE 534.A N ALA 544.A O no hydrogen 2.805 N/A ARG 535.A NE ASP 482.A OD2 no hydrogen 2.941 N/A ARG 535.A NH1 ASP 121.A OD2 no hydrogen 3.208 N/A ARG 535.A NH1 PRO 540.A O no hydrogen 2.915 N/A ARG 535.A NH2 ASP 121.A OD2 no hydrogen 3.363 N/A ARG 535.A NH2 ASP 482.A OD2 no hydrogen 2.915 N/A VAL 536.A N LEU 542.A O no hydrogen 3.030 N/A ASP 539.A N VAL 536.A O no hydrogen 3.100 N/A LEU 542.A N ASP 539.A O no hydrogen 3.041 N/A ALA 544.A N PHE 534.A O no hydrogen 2.964 N/A GLY 545.A N LYS 567.A O no hydrogen 2.875 N/A LEU 547.A N GLN 526.A OE1 no hydrogen 2.804 N/A ALA 548.A N GLU 565.A O no hydrogen 2.894 N/A LYS 551.A N ALA 548.A O no hydrogen 2.721 N/A CYS 552.A N ILE 549.A O no hydrogen 3.093 N/A CYS 552.A SG ALA 548.A O no hydrogen 3.296 N/A SER 557.A N MET 555.A O no hydrogen 2.865 N/A SER 557.A OG MET 555.A O no hydrogen 3.278 N/A SER 557.A OG LYS 559.A O no hydrogen 3.008 N/A LYS 559.A NZ ASP 587.A OD1 no hydrogen 3.264 N/A LYS 560.A NZ ASP 509.A O no hydrogen 2.683 N/A LEU 562.A N PHE 583.A O no hydrogen 2.789 N/A TRP 563.A N LYS 553.A O no hydrogen 3.254 N/A TRP 563.A NE1 GLU 565.A OE2 no hydrogen 3.008 N/A LEU 564.A N ILE 581.A O no hydrogen 2.976 N/A PHE 566.A N ILE 579.A O no hydrogen 2.910 N/A LYS 567.A N ALA 546.A O no hydrogen 2.971 N/A CYS 568.A SG GLY 119.A O no hydrogen 3.752 N/A CYS 568.A SG LYS 543.A O no hydrogen 3.599 N/A CYS 568.A SG ASP 570.A O no hydrogen 4.040 N/A ALA 569.A N LYS 543.A O no hydrogen 3.399 N/A THR 572.A OG1 ASP 570.A OD1 no hydrogen 2.906 N/A ALA 573.A N ASP 570.A O no hydrogen 3.365 N/A THR 578.A OG1 GLU 565.A OE1 no hydrogen 2.550 N/A ILE 579.A N PHE 566.A O no hydrogen 2.963 N/A ILE 581.A N LEU 564.A O no hydrogen 2.885 N/A ILE 582.A N ILE 630.A O no hydrogen 2.943 N/A LYS 584.A N GLY 628.A O no hydrogen 3.047 N/A LYS 584.A NZ ASP 587.A OD2 no hydrogen 2.921 N/A GLY 586.A N LYS 626.A O no hydrogen 2.845 N/A ARG 590.A NH1 GLU 453.A OE1 no hydrogen 3.212 N/A GLN 591.A N ASP 588.A O no hydrogen 3.483 N/A GLN 591.A NE2 HIS 710.A ND1 no hydrogen 3.604 N/A MET 593.A N LEU 589.A O no hydrogen 3.047 N/A ILE 595.A N GLN 591.A O no hydrogen 3.327 N/A LEU 596.A N ASP 592.A O no hydrogen 2.897 N/A GLN 597.A N MET 593.A O no hydrogen 2.922 N/A ILE 598.A N LEU 594.A O no hydrogen 3.126 N/A LEU 599.A N ILE 595.A O no hydrogen 2.920 N/A ARG 600.A N LEU 596.A O no hydrogen 3.165 N/A ARG 600.A NH1 LEU 596.A O no hydrogen 3.214 N/A ARG 600.A NH2 TYR 618.A O no hydrogen 3.524 N/A ILE 601.A N GLN 597.A O no hydrogen 3.266 N/A MET 602.A N ILE 598.A O no hydrogen 2.911 N/A GLU 603.A N LEU 599.A O no hydrogen 3.136 N/A SER 604.A N ARG 600.A O no hydrogen 3.175 N/A SER 604.A OG ILE 601.A O no hydrogen 2.604 N/A ILE 605.A N ILE 601.A O no hydrogen 3.061 N/A TRP 606.A N MET 602.A O no hydrogen 3.014 N/A TRP 606.A NE1 ALA 746.A O no hydrogen 3.082 N/A GLU 607.A N GLU 603.A O no hydrogen 2.700 N/A THR 608.A N SER 604.A O no hydrogen 3.126 N/A THR 608.A N ILE 605.A O no hydrogen 2.972 N/A THR 608.A OG1 ILE 605.A O no hydrogen 2.713 N/A SER 610.A N GLU 607.A O no hydrogen 3.049 N/A LEU 611.A N TRP 606.A O no hydrogen 2.686 N/A CYS 614.A N ASP 612.A OD1 no hydrogen 2.775 N/A CYS 614.A SG ARG 670.A O no hydrogen 3.661 N/A LEU 616.A N TYR 678.A OH no hydrogen 2.679 N/A ILE 621.A N MET 629.A O no hydrogen 3.101 N/A SER 622.A OG GLY 624.A O no hydrogen 3.554 N/A THR 623.A N ILE 627.A O no hydrogen 3.066 N/A THR 623.A OG1 GLN 494.A OE1 no hydrogen 2.606 N/A THR 623.A OG1 ILE 627.A O no hydrogen 3.018 N/A GLY 624.A N ILE 627.A O no hydrogen 3.031 N/A LYS 626.A NZ GLY 586.A O no hydrogen 2.809 N/A ILE 627.A N GLY 624.A O no hydrogen 3.377 N/A GLY 628.A N LYS 584.A O no hydrogen 3.113 N/A MET 629.A N ILE 621.A O no hydrogen 3.027 N/A ILE 630.A N ILE 582.A O no hydrogen 3.031 N/A GLU 631.A N GLY 619.A O no hydrogen 3.100 N/A ILE 632.A N GLY 580.A O no hydrogen 2.944 N/A THR 637.A N ILE 697.A O no hydrogen 3.027 N/A ILE 639.A N ILE 695.A O no hydrogen 3.140 N/A ILE 642.A N ILE 639.A O no hydrogen 3.002 N/A GLN 643.A N ILE 639.A O no hydrogen 3.119 N/A GLN 643.A N ALA 640.A O no hydrogen 3.058 N/A HIS 652.A N GLU 648.A O no hydrogen 3.157 N/A TRP 653.A N VAL 649.A O no hydrogen 2.985 N/A LEU 654.A N LEU 650.A O no hydrogen 2.982 N/A LYS 655.A N ASN 651.A O no hydrogen 2.895 N/A LYS 655.A NZ PRO 659.A O no hydrogen 3.397 N/A GLU 656.A N HIS 652.A O no hydrogen 2.832 N/A LYS 657.A N TRP 653.A O no hydrogen 3.126 N/A LYS 657.A N LEU 654.A O no hydrogen 2.943 N/A SER 658.A N LYS 655.A O no hydrogen 3.146 N/A SER 658.A OG LEU 654.A O no hydrogen 2.981 N/A SER 658.A OG LYS 663.A O no hydrogen 3.224 N/A GLU 662.A N THR 660.A OG1 no hydrogen 2.817 N/A GLN 665.A N GLU 661.A O no hydrogen 2.866 N/A ALA 666.A N GLU 662.A O no hydrogen 3.281 N/A GLU 669.A N GLN 665.A O no hydrogen 3.077 N/A ARG 670.A N ALA 666.A O no hydrogen 2.688 N/A VAL 672.A N VAL 668.A O no hydrogen 3.061 N/A TYR 673.A N GLU 669.A O no hydrogen 2.904 N/A SER 674.A N ARG 670.A O no hydrogen 2.865 N/A SER 674.A OG ARG 670.A O no hydrogen 2.767 N/A SER 674.A OG PHE 671.A O no hydrogen 3.140 N/A CYS 675.A N PHE 671.A O no hydrogen 2.774 N/A ALA 676.A N VAL 672.A O no hydrogen 3.083 N/A GLY 677.A N TYR 673.A O no hydrogen 3.012 N/A TYR 678.A N SER 674.A O no hydrogen 3.071 N/A CYS 679.A N CYS 675.A O no hydrogen 2.991 N/A CYS 679.A SG CYS 675.A O no hydrogen 2.973 N/A VAL 680.A N ALA 676.A O no hydrogen 2.998 N/A ALA 681.A N GLY 677.A O no hydrogen 2.801 N/A THR 682.A N TYR 678.A O no hydrogen 3.304 N/A THR 682.A OG1 TYR 678.A O no hydrogen 2.443 N/A THR 682.A OG1 CYS 679.A O no hydrogen 3.179 N/A PHE 683.A N CYS 679.A O no hydrogen 3.331 N/A VAL 684.A N VAL 680.A O no hydrogen 3.079 N/A LEU 685.A N ALA 681.A O no hydrogen 3.407 N/A ILE 687.A N THR 682.A O no hydrogen 3.224 N/A ARG 690.A NH2 ASP 707.A O no hydrogen 2.656 N/A ASN 692.A N GLN 813.A OE1 no hydrogen 2.764 N/A ASP 693.A N HIS 691.A ND1 no hydrogen 3.202 N/A ASN 694.A N HIS 691.A O no hydrogen 3.043 N/A MET 696.A N PHE 704.A O no hydrogen 3.012 N/A ILE 697.A N THR 637.A O no hydrogen 2.829 N/A THR 698.A N ASN 702.A O no hydrogen 2.961 N/A THR 698.A OG1 ASN 702.A O no hydrogen 3.351 N/A GLU 699.A N ASP 635.A O no hydrogen 2.893 N/A THR 700.A OG1 THR 700.A O no hydrogen 2.415 N/A GLY 701.A N THR 698.A O no hydrogen 3.007 N/A ASN 702.A N THR 698.A OG1 no hydrogen 3.027 N/A LEU 703.A N SER 674.A OG no hydrogen 2.829 N/A PHE 704.A N MET 696.A O no hydrogen 3.131 N/A ILE 706.A N ASN 694.A O no hydrogen 3.322 N/A ASP 707.A N TYR 618.A OH no hydrogen 3.321 N/A THR 718.A OG1 ASP 720.A OD1 no hydrogen 2.569 N/A PHE 721.A N THR 718.A O no hydrogen 2.783 N/A LEU 722.A N THR 718.A O no hydrogen 3.346 N/A PHE 723.A N PRO 719.A O no hydrogen 2.915 N/A MET 725.A N PHE 721.A O no hydrogen 3.131 N/A GLY 726.A N PHE 723.A O no hydrogen 3.090 N/A THR 727.A N LEU 722.A O no hydrogen 2.968 N/A THR 727.A OG1 GLY 726.A O no hydrogen 3.041 N/A THR 727.A OG1 LYS 731.A O no hydrogen 3.211 N/A LYS 731.A N SER 728.A O no hydrogen 3.083 N/A LYS 731.A NZ THR 732.A O no hydrogen 3.269 N/A SER 733.A OG MET 725.A O no hydrogen 2.663 N/A GLN 737.A N SER 733.A O no hydrogen 2.960 N/A LYS 738.A N PRO 734.A O no hydrogen 2.710 N/A LYS 738.A NZ GLU 669.A OE1 no hydrogen 2.843 N/A GLN 740.A N PHE 736.A O no hydrogen 3.089 N/A ILE 742.A N LYS 738.A O no hydrogen 2.895 N/A CYS 743.A N PHE 739.A O no hydrogen 2.958 N/A CYS 743.A SG PHE 739.A O no hydrogen 3.239 N/A VAL 744.A N GLN 740.A O no hydrogen 3.402 N/A LYS 745.A N ASP 741.A O no hydrogen 3.273 N/A ALA 746.A N ILE 742.A O no hydrogen 2.978 N/A ALA 746.A N CYS 743.A O no hydrogen 2.838 N/A TYR 747.A N CYS 743.A O no hydrogen 2.693 N/A TYR 747.A OH ALA 784.A O no hydrogen 3.260 N/A LEU 748.A N VAL 744.A O no hydrogen 3.063 N/A LEU 750.A N ALA 746.A O no hydrogen 3.267 N/A ARG 751.A N TYR 747.A O no hydrogen 3.376 N/A ARG 751.A NE LEU 785.A O no hydrogen 2.910 N/A ARG 751.A NH2 THR 786.A O no hydrogen 2.994 N/A HIS 752.A N LEU 748.A O no hydrogen 3.253 N/A HIS 752.A N ALA 749.A O no hydrogen 3.352 N/A HIS 752.A ND1 GLU 609.A OE1 no hydrogen 3.251 N/A HIS 752.A NE2 GLU 791.A OE1 no hydrogen 2.997 N/A HIS 753.A N LEU 750.A O no hydrogen 2.843 N/A THR 754.A N ARG 751.A O no hydrogen 3.445 N/A THR 754.A OG1 ARG 751.A O no hydrogen 3.002 N/A LEU 757.A N HIS 753.A O no hydrogen 3.132 N/A ILE 758.A N THR 754.A O no hydrogen 2.959 N/A ILE 759.A N ASN 755.A O no hydrogen 3.348 N/A ILE 759.A N LEU 756.A O no hydrogen 3.116 N/A LEU 760.A N LEU 756.A O no hydrogen 3.215 N/A LEU 760.A N LEU 757.A O no hydrogen 2.897 N/A PHE 761.A N LEU 757.A O no hydrogen 2.768 N/A SER 762.A N ILE 758.A O no hydrogen 2.853 N/A MET 763.A N ILE 759.A O no hydrogen 3.075 N/A MET 764.A N LEU 760.A O no hydrogen 2.817 N/A LEU 765.A N PHE 761.A O no hydrogen 3.192 N/A MET 766.A N SER 762.A O no hydrogen 3.331 N/A THR 767.A N MET 763.A O no hydrogen 3.021 N/A THR 767.A OG1 GLN 416.A OE1 no hydrogen 3.425 N/A THR 767.A OG1 MET 763.A O no hydrogen 3.457 N/A MET 769.A N LEU 765.A O no hydrogen 3.172 N/A THR 773.A OG1 PHE 269.A O no hydrogen 3.005 N/A SER 774.A N ASP 777.A OD2 no hydrogen 2.942 N/A ASP 777.A N SER 774.A O no hydrogen 3.085 N/A TYR 780.A OH PHE 683.A O no hydrogen 2.761 N/A ILE 781.A N ILE 778.A O no hydrogen 3.126 N/A ALA 784.A N TYR 780.A O no hydrogen 2.833 N/A LEU 785.A N ILE 781.A O no hydrogen 2.977 N/A LEU 785.A N ARG 782.A O no hydrogen 3.019 N/A THR 786.A N ASP 783.A O no hydrogen 2.939 N/A THR 786.A OG1 TYR 747.A OH no hydrogen 2.635 N/A VAL 787.A N ARG 782.A O no hydrogen 3.350 N/A LYS 796.A N GLU 792.A O no hydrogen 3.066 N/A TYR 797.A N ASP 793.A O no hydrogen 3.323 N/A PHE 798.A N ALA 794.A O no hydrogen 3.078 N/A LEU 799.A N LYS 795.A O no hydrogen 2.900 N/A ASP 800.A N LYS 796.A O no hydrogen 3.088 N/A ASP 800.A N TYR 797.A O no hydrogen 3.295 N/A GLN 801.A N PHE 798.A O no hydrogen 2.942 N/A GLN 801.A NE2 TYR 797.A O no hydrogen 3.418 N/A ILE 802.A N PHE 798.A O no hydrogen 3.382 N/A VAL 804.A N ASP 800.A O no hydrogen 3.307 N/A CYS 805.A N GLN 801.A O no hydrogen 3.334 N/A CYS 805.A SG PHE 715.A O no hydrogen 3.153 N/A CYS 805.A SG GLN 801.A O no hydrogen 3.561 N/A ARG 806.A N GLU 803.A O no hydrogen 2.964 N/A ARG 806.A NH2 GLU 803.A OE1 no hydrogen 3.429 N/A ARG 806.A NH2 GLU 803.A OE2 no hydrogen 3.183 N/A ASP 807.A N GLU 803.A O no hydrogen 2.907 N/A LYS 808.A NZ ARG 712.A O no hydrogen 3.538 N/A GLY 809.A N CYS 805.A O no hydrogen 3.269 N/A THR 811.A N LYS 808.A O no hydrogen 2.946 N/A THR 811.A OG1 LYS 808.A O no hydrogen 2.905 N/A PHE 814.A N TRP 810.A O no hydrogen 2.875 N/A ASN 815.A N THR 811.A O no hydrogen 3.005 N/A TRP 816.A N VAL 812.A O no hydrogen 2.732 N/A PHE 817.A N GLN 813.A O no hydrogen 3.267 N/A