Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2hau_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N SER 32.A O no hydrogen 3.132 N/A ARG 4.A N ASP 54.A OD1 no hydrogen 2.864 N/A ARG 4.A NE ASP 54.A OD1 no hydrogen 2.188 N/A ARG 4.A NH2 ASP 54.A OD2 no hydrogen 2.745 N/A TRP 5.A N ALA 34.A O no hydrogen 2.948 N/A CYS 6.A SG VAL 36.A O no hydrogen 3.332 N/A ALA 7.A N VAL 36.A O no hydrogen 3.314 N/A VAL 8.A N GLU 12.A OE1 no hydrogen 2.683 N/A GLU 12.A N SER 9.A OG no hydrogen 3.124 N/A ALA 13.A N SER 9.A O no hydrogen 2.723 N/A THR 14.A N GLU 10.A O no hydrogen 2.786 N/A THR 14.A N HIS 11.A O no hydrogen 2.872 N/A THR 14.A OG1 GLU 10.A O no hydrogen 3.164 N/A LYS 15.A N HIS 11.A O no hydrogen 3.160 N/A LYS 15.A NZ LEU 278.A O no hydrogen 2.992 N/A LYS 15.A NZ SER 280.A O no hydrogen 3.051 N/A LYS 15.A NZ SER 281.A OG no hydrogen 3.360 N/A LYS 15.A NZ LEU 287.A O no hydrogen 2.905 N/A CYS 16.A SG ALA 34.A O no hydrogen 3.737 N/A GLN 17.A N THR 14.A O no hydrogen 2.784 N/A GLN 17.A NE2 ALA 13.A O no hydrogen 3.437 N/A SER 18.A N THR 14.A O no hydrogen 3.263 N/A SER 18.A OG THR 14.A O no hydrogen 3.244 N/A PHE 19.A N LYS 15.A O no hydrogen 3.244 N/A ARG 20.A N CYS 16.A O no hydrogen 3.088 N/A ASP 21.A N GLN 17.A O no hydrogen 3.122 N/A HIS 22.A N SER 18.A O no hydrogen 2.707 N/A LYS 23.A NZ SER 32.A OG no hydrogen 2.576 N/A SER 24.A OG HIS 22.A O no hydrogen 2.565 N/A SER 32.A N LYS 1.A O no hydrogen 3.186 N/A ALA 34.A N VAL 3.A O no hydrogen 2.805 N/A VAL 36.A N TRP 5.A O no hydrogen 2.985 N/A LYS 37.A NZ LYS 38.A O no hydrogen 3.102 N/A LYS 38.A N ALA 7.A O no hydrogen 2.827 N/A LYS 38.A NZ GLU 52.A OE2 no hydrogen 3.378 N/A ASP 43.A N SER 40.A O no hydrogen 3.229 N/A CYS 44.A N SER 40.A O no hydrogen 3.029 N/A CYS 44.A SG ALA 7.A O no hydrogen 3.643 N/A CYS 44.A SG SER 40.A O no hydrogen 4.022 N/A ILE 45.A N TYR 41.A O no hydrogen 2.861 N/A ARG 46.A N LEU 42.A O no hydrogen 3.060 N/A ARG 46.A NH2 ASP 43.A OD2 no hydrogen 2.857 N/A ALA 47.A N ASP 43.A O no hydrogen 2.786 N/A ILE 48.A N CYS 44.A O no hydrogen 2.929 N/A ALA 49.A N ILE 45.A O no hydrogen 2.950 N/A ALA 50.A N ARG 46.A O no hydrogen 2.953 N/A ASN 51.A N ILE 48.A O no hydrogen 2.900 N/A GLU 52.A N ALA 47.A O no hydrogen 2.700 N/A ALA 53.A N ALA 47.A O no hydrogen 3.106 N/A ASP 54.A N ARG 4.A O no hydrogen 2.715 N/A ALA 55.A N ARG 4.A O no hydrogen 3.324 N/A THR 57.A OG1 LEU 288.A O no hydrogen 2.686 N/A LEU 58.A N THR 245.A O no hydrogen 2.769 N/A VAL 63.A N ASP 59.A O no hydrogen 2.922 N/A VAL 63.A N ALA 60.A O no hydrogen 2.804 N/A TYR 64.A N ALA 60.A O no hydrogen 2.975 N/A ASP 65.A N GLY 61.A O no hydrogen 3.188 N/A ALA 66.A N LEU 62.A O no hydrogen 2.909 N/A ALA 66.A N VAL 63.A O no hydrogen 3.199 N/A TYR 67.A N VAL 63.A O no hydrogen 3.351 N/A TYR 67.A N TYR 64.A O no hydrogen 3.145 N/A LEU 68.A N TYR 64.A O no hydrogen 3.424 N/A ASN 72.A N LEU 68.A O no hydrogen 3.134 N/A LEU 73.A N ALA 66.A O no hydrogen 2.693 N/A LYS 74.A N ALA 248.A O no hydrogen 3.001 N/A VAL 76.A N VAL 246.A O no hydrogen 2.849 N/A VAL 77.A N VAL 246.A O no hydrogen 3.274 N/A ALA 78.A N LEU 297.A O no hydrogen 2.903 N/A GLU 79.A N HIS 244.A O no hydrogen 3.377 N/A PHE 80.A N GLY 295.A O no hydrogen 3.333 N/A TYR 81.A N PRO 87.A O no hydrogen 2.918 N/A TYR 81.A OH GLU 79.A OE1 no hydrogen 2.711 N/A TYR 81.A OH SER 243.A OG no hydrogen 3.206 N/A SER 83.A N ASP 86.A O no hydrogen 3.162 N/A ASP 86.A N SER 83.A OG no hydrogen 3.309 N/A TYR 91.A N VAL 241.A O no hydrogen 3.237 N/A TYR 92.A N HIS 202.A ND1 no hydrogen 3.116 N/A ALA 93.A N ALA 239.A O no hydrogen 2.914 N/A VAL 94.A N VAL 200.A O no hydrogen 2.815 N/A VAL 97.A N GLU 219.A O no hydrogen 2.738 N/A LYS 99.A N GLN 217.A O no hydrogen 2.717 N/A SER 101.A N LYS 98.A O no hydrogen 2.729 N/A SER 101.A OG LYS 98.A O no hydrogen 2.338 N/A GLN 106.A N GLN 104.A O no hydrogen 2.605 N/A ARG 108.A NH2 ASP 133.A O no hydrogen 3.234 N/A GLY 109.A N PHE 148.A O no hydrogen 2.875 N/A LYS 111.A N ASP 196.A OD1 no hydrogen 3.343 N/A LYS 111.A NZ SER 150.A O no hydrogen 2.939 N/A CYS 113.A N VAL 197.A O no hydrogen 2.737 N/A CYS 113.A SG VAL 197.A O no hydrogen 3.739 N/A HIS 114.A N CYS 153.A O no hydrogen 2.895 N/A LEU 117.A N PRO 155.A O no hydrogen 2.864 N/A ARG 119.A N GLY 116.A O no hydrogen 3.144 N/A TRP 123.A N SER 120.A O no hydrogen 3.153 N/A ASN 124.A N ARG 119.A O no hydrogen 2.853 N/A ASN 124.A ND2 GLY 118.A O no hydrogen 2.754 N/A ILE 125.A N SER 120.A O no hydrogen 3.141 N/A ILE 127.A N TRP 123.A O no hydrogen 2.803 N/A LEU 129.A N ILE 125.A O no hydrogen 3.027 N/A LEU 130.A N PRO 126.A O no hydrogen 3.000 N/A CYS 132.A SG THR 322.A O no hydrogen 3.948 N/A ASP 133.A N LEU 130.A O no hydrogen 2.733 N/A LEU 134.A N TYR 131.A O no hydrogen 3.025 N/A ARG 138.A NH2 CYS 132.A O no hydrogen 2.934 N/A ARG 138.A NH2 LEU 134.A O no hydrogen 3.467 N/A ALA 144.A N PRO 140.A O no hydrogen 3.446 N/A VAL 145.A N LEU 141.A O no hydrogen 3.045 N/A ALA 146.A N GLU 142.A O no hydrogen 3.152 N/A ALA 146.A N LYS 143.A O no hydrogen 2.932 N/A ASN 147.A N LYS 143.A O no hydrogen 3.345 N/A PHE 148.A N ALA 144.A O no hydrogen 3.283 N/A PHE 149.A N VAL 145.A O no hydrogen 3.069 N/A SER 150.A OG SER 150.A O no hydrogen 2.511 N/A GLY 151.A N PHE 149.A O no hydrogen 2.406 N/A CYS 153.A N SER 112.A O no hydrogen 2.865 N/A CYS 153.A SG TYR 180.A O no hydrogen 3.153 N/A ALA 154.A N LEU 165.A O no hydrogen 2.844 N/A CYS 156.A N CYS 172.A O no hydrogen 3.145 N/A ALA 157.A N ALA 154.A O no hydrogen 3.096 N/A ASP 158.A N GLU 142.A OE1 no hydrogen 3.342 N/A CYS 166.A N PRO 163.A O no hydrogen 2.871 N/A CYS 166.A SG ALA 157.A O no hydrogen 3.802 N/A LEU 168.A N SER 152.A O no hydrogen 3.093 N/A CYS 172.A N CYS 169.A O no hydrogen 2.930 N/A CYS 172.A SG ALA 154.A O no hydrogen 2.985 N/A CYS 172.A SG ALA 157.A O no hydrogen 3.441 N/A CYS 172.A SG LEU 165.A O no hydrogen 3.573 N/A LEU 177.A N SER 175.A OG no hydrogen 3.413 N/A ASN 178.A N SER 175.A O no hydrogen 2.988 N/A ASN 178.A ND2 GLY 173.A O no hydrogen 3.262 N/A TYR 180.A N ASN 178.A OD1 no hydrogen 2.996 N/A TYR 180.A OH ASP 192.A OD1 no hydrogen 2.836 N/A PHE 181.A N ASN 178.A O no hydrogen 3.290 N/A GLY 182.A N THR 115.A O no hydrogen 3.050 N/A ALA 186.A N GLY 182.A O no hydrogen 2.791 N/A PHE 187.A N TYR 183.A O no hydrogen 2.943 N/A LYS 188.A N SER 184.A O no hydrogen 2.840 N/A LYS 188.A NZ GLN 179.A OE1 no hydrogen 3.077 N/A LYS 188.A NZ ASP 192.A OD1 no hydrogen 2.598 N/A LYS 188.A NZ ASP 192.A OD2 no hydrogen 3.285 N/A CYS 189.A N GLY 185.A O no hydrogen 2.886 N/A CYS 189.A N ALA 186.A O no hydrogen 3.211 N/A LEU 190.A N PHE 187.A O no hydrogen 3.100 N/A LYS 191.A N PHE 187.A O no hydrogen 3.012 N/A ASP 192.A N LYS 188.A O no hydrogen 3.046 N/A GLY 193.A N LEU 190.A O no hydrogen 2.609 N/A GLY 195.A N CYS 189.A O no hydrogen 2.800 N/A ASP 196.A N LYS 111.A O no hydrogen 2.559 N/A VAL 197.A N LYS 111.A O no hydrogen 3.369 N/A ALA 198.A N VAL 96.A O no hydrogen 3.064 N/A VAL 200.A N VAL 94.A O no hydrogen 2.994 N/A LYS 201.A N THR 204.A OG1 no hydrogen 3.146 N/A THR 204.A N LYS 201.A O no hydrogen 3.376 N/A THR 204.A OG1 LYS 201.A O no hydrogen 3.321 N/A GLU 207.A N THR 204.A O no hydrogen 3.043 N/A ASN 208.A N THR 204.A O no hydrogen 3.225 N/A LYS 212.A NZ ASP 216.A OD2 no hydrogen 3.150 N/A ARG 215.A NE LEU 209.A O no hydrogen 3.553 N/A ARG 215.A NH2 LEU 209.A O no hydrogen 3.549 N/A GLN 217.A N ASP 214.A O no hydrogen 3.399 N/A TYR 218.A N ARG 215.A O no hydrogen 2.469 N/A GLU 219.A N VAL 97.A O no hydrogen 3.001 N/A LEU 220.A N LYS 228.A O no hydrogen 2.752 N/A CYS 222.A N THR 226.A O no hydrogen 2.507 N/A CYS 222.A SG THR 226.A O no hydrogen 3.078 N/A ASN 225.A N CYS 222.A O no hydrogen 3.060 N/A THR 226.A OG1 ASP 224.A O no hydrogen 3.299 N/A THR 226.A OG1 ASP 224.A OD1 no hydrogen 3.166 N/A THR 226.A OG1 ASP 224.A OD2 no hydrogen 3.258 N/A ARG 227.A NE PHE 103.A O no hydrogen 2.658 N/A ARG 227.A NH1 LYS 98.A O no hydrogen 3.272 N/A ARG 227.A NH1 GLU 219.A OE1 no hydrogen 2.612 N/A ARG 227.A NH2 PHE 103.A O no hydrogen 2.539 N/A LYS 228.A N LEU 220.A O no hydrogen 3.207 N/A GLU 232.A N PRO 229.A O no hydrogen 2.717 N/A ASP 235.A N GLU 232.A O no hydrogen 3.326 N/A CYS 236.A N TYR 233.A O no hydrogen 2.798 N/A HIS 237.A ND1 TYR 233.A O no hydrogen 3.098 N/A LEU 238.A N ALA 93.A O no hydrogen 2.752 N/A ALA 239.A N ALA 93.A O no hydrogen 3.314 N/A VAL 241.A N TYR 91.A O no hydrogen 3.268 N/A SER 243.A N THR 89.A O no hydrogen 3.147 N/A SER 243.A OG TYR 81.A OH no hydrogen 3.206 N/A HIS 244.A ND1 ASP 59.A OD2 no hydrogen 2.992 N/A THR 245.A N LEU 58.A O no hydrogen 2.810 N/A VAL 246.A N VAL 77.A O no hydrogen 2.570 N/A VAL 247.A N VAL 56.A O no hydrogen 2.958 N/A ALA 248.A N LYS 74.A O no hydrogen 3.018 N/A ARG 249.A NE GLY 251.A O no hydrogen 2.764 N/A ARG 249.A NH1 ILE 48.A O no hydrogen 2.684 N/A ARG 249.A NH1 ALA 53.A O no hydrogen 2.677 N/A ARG 249.A NH2 ASP 54.A OD2 no hydrogen 2.639 N/A ARG 249.A NH2 GLY 251.A O no hydrogen 3.215 N/A SER 250.A OG ASN 72.A O no hydrogen 3.270 N/A LYS 253.A NZ THR 2.A O no hydrogen 3.224 N/A LYS 253.A NZ ASP 54.A OD2 no hydrogen 3.311 N/A ILE 257.A N LYS 253.A O no hydrogen 2.959 N/A ILE 257.A N GLU 254.A O no hydrogen 3.122 N/A TRP 258.A N GLU 254.A O no hydrogen 3.016 N/A GLU 259.A N ASP 255.A O no hydrogen 2.863 N/A LEU 260.A N LEU 256.A O no hydrogen 3.254 N/A LEU 261.A N ILE 257.A O no hydrogen 2.954 N/A ASN 262.A N TRP 258.A O no hydrogen 2.709 N/A ALA 264.A N LEU 261.A O no hydrogen 3.129 N/A GLN 265.A N LEU 261.A O no hydrogen 2.876 N/A GLN 265.A N ASN 262.A O no hydrogen 2.815 N/A GLN 265.A NE2 ASN 262.A OD1 no hydrogen 2.903 N/A GLN 265.A NE2 PHE 296.A O no hydrogen 3.602 N/A GLU 266.A N ASN 262.A O no hydrogen 3.214 N/A HIS 267.A N ALA 264.A O no hydrogen 3.330 N/A PHE 268.A N ALA 264.A O no hydrogen 2.958 N/A LYS 272.A N GLY 269.A O no hydrogen 2.577 N/A GLU 275.A N SER 273.A OG no hydrogen 2.755 N/A LEU 278.A N PHE 268.A O no hydrogen 3.086 N/A SER 280.A N GLN 277.A O no hydrogen 2.686 N/A SER 281.A OG ASP 291.A OD2 no hydrogen 3.444 N/A LYS 285.A NZ GLY 284.A O no hydrogen 3.435 N/A LYS 285.A NZ ASP 291.A OD1 no hydrogen 3.228 N/A ASP 286.A N ASP 291.A OD1 no hydrogen 3.197 N/A ASP 286.A N ASP 291.A OD2 no hydrogen 3.115 N/A LEU 287.A N SER 281.A OG no hydrogen 3.245 N/A LYS 290.A N GLU 79.A OE2 no hydrogen 3.312 N/A LYS 290.A NZ ASP 59.A OD2 no hydrogen 3.295 N/A ASP 291.A N ASP 286.A OD2 no hydrogen 3.098 N/A ALA 293.A N LYS 290.A O no hydrogen 2.986 N/A HIS 294.A N PHE 80.A O no hydrogen 2.910 N/A HIS 294.A ND1 SER 292.A O no hydrogen 3.250 N/A PHE 296.A N GLN 265.A OE1 no hydrogen 2.836 N/A LEU 297.A N ALA 78.A O no hydrogen 2.888 N/A LYS 298.A NZ ASP 255.A OD2 no hydrogen 2.839 N/A VAL 299.A N VAL 76.A O no hydrogen 3.163 N/A ARG 302.A NH1 ARG 302.A O no hydrogen 2.639 N/A ARG 302.A NH2 ASP 368.A OD1 no hydrogen 2.919 N/A LYS 305.A N ASP 303.A OD1 no hydrogen 2.789 N/A LYS 305.A NZ TYR 67.A OH no hydrogen 3.011 N/A LYS 305.A NZ GLU 376.A OE1 no hydrogen 3.026 N/A LEU 307.A N ALA 304.A O no hydrogen 2.857 N/A GLY 308.A N LYS 305.A O no hydrogen 2.860 N/A GLU 310.A N GLU 310.A OE2 no hydrogen 2.841 N/A VAL 312.A N GLY 308.A O no hydrogen 3.123 N/A THR 313.A N TYR 309.A O no hydrogen 2.836 N/A THR 313.A OG1 TYR 309.A O no hydrogen 2.753 N/A THR 313.A OG1 GLU 310.A O no hydrogen 2.689 N/A ALA 314.A N GLU 310.A O no hydrogen 2.988 N/A ILE 315.A N TYR 311.A O no hydrogen 3.059 N/A ARG 316.A N VAL 312.A O no hydrogen 2.996 N/A ARG 316.A NE GLU 320.A OE1 no hydrogen 2.890 N/A ARG 316.A NE GLU 320.A OE2 no hydrogen 2.874 N/A ARG 316.A NH2 GLU 320.A OE2 no hydrogen 2.501 N/A ASN 317.A N THR 313.A O no hydrogen 3.097 N/A ASN 317.A ND2 GLY 128.A O no hydrogen 2.976 N/A LEU 318.A N ALA 314.A O no hydrogen 3.129 N/A ARG 319.A N ILE 315.A O no hydrogen 2.922 N/A ARG 319.A NH1 ASP 65.A OD2 no hydrogen 2.590 N/A ARG 319.A NH2 ASP 65.A OD1 no hydrogen 3.083 N/A ARG 319.A NH2 ASP 65.A OD2 no hydrogen 3.490 N/A GLU 320.A N ARG 316.A O no hydrogen 2.577 N/A VAL 334.A N LYS 357.A O no hydrogen 2.973 N/A LYS 335.A N ASP 378.A OD2 no hydrogen 2.675 N/A TRP 336.A N GLU 359.A O no hydrogen 2.816 N/A CYS 337.A SG VAL 361.A O no hydrogen 3.778 N/A ALA 338.A N VAL 361.A O no hydrogen 2.707 N/A LEU 339.A N GLU 343.A OE2 no hydrogen 2.800 N/A GLU 343.A N SER 340.A OG no hydrogen 3.219 N/A ARG 344.A N SER 340.A O no hydrogen 2.781 N/A ARG 344.A NE ASP 348.A OD2 no hydrogen 3.102 N/A ARG 344.A NH1 SER 362.A OG no hydrogen 2.621 N/A LEU 345.A N HIS 341.A O no hydrogen 2.952 N/A LYS 346.A N HIS 342.A O no hydrogen 3.073 N/A LYS 346.A NZ LEU 609.A O no hydrogen 3.098 N/A LYS 346.A NZ ARG 611.A O no hydrogen 2.665 N/A LYS 346.A NZ SER 612.A OG no hydrogen 3.143 N/A CYS 347.A N GLU 343.A O no hydrogen 2.891 N/A CYS 347.A SG GLU 359.A O no hydrogen 4.042 N/A ASP 348.A N ARG 344.A O no hydrogen 2.638 N/A GLU 349.A N LEU 345.A O no hydrogen 2.849 N/A TRP 350.A N LYS 346.A O no hydrogen 3.057 N/A SER 351.A N CYS 347.A O no hydrogen 2.812 N/A SER 351.A OG ILE 358.A O no hydrogen 2.712 N/A VAL 352.A N ASP 348.A O no hydrogen 3.313 N/A ASN 353.A N GLU 349.A O no hydrogen 3.374 N/A SER 354.A N SER 351.A O no hydrogen 2.756 N/A SER 354.A OG SER 351.A O no hydrogen 2.474 N/A SER 354.A OG ILE 358.A O no hydrogen 3.421 N/A VAL 355.A N VAL 352.A O no hydrogen 3.266 N/A LYS 357.A N SER 354.A O no hydrogen 3.143 N/A ILE 358.A N SER 354.A OG no hydrogen 2.777 N/A GLU 359.A N VAL 334.A O no hydrogen 2.884 N/A CYS 360.A SG ASP 348.A OD2 no hydrogen 3.516 N/A VAL 361.A N TRP 336.A O no hydrogen 2.838 N/A ALA 363.A N ALA 338.A O no hydrogen 3.135 N/A ASP 368.A N THR 365.A OG1 no hydrogen 3.242 N/A CYS 369.A N THR 365.A O no hydrogen 2.870 N/A CYS 369.A SG ALA 338.A O no hydrogen 3.949 N/A ILE 370.A N THR 366.A O no hydrogen 3.165 N/A ALA 371.A N GLU 367.A O no hydrogen 2.820 N/A LYS 372.A N ASP 368.A O no hydrogen 2.839 N/A LYS 372.A NZ GLU 376.A OE2 no hydrogen 3.397 N/A ILE 373.A N CYS 369.A O no hydrogen 2.774 N/A ASN 374.A ND2 GLU 376.A OE1 no hydrogen 3.379 N/A GLY 375.A N LYS 372.A O no hydrogen 3.177 N/A ALA 377.A N LYS 372.A O no hydrogen 2.779 N/A ASP 378.A N LYS 335.A O no hydrogen 2.810 N/A ALA 379.A N LYS 335.A O no hydrogen 2.976 N/A SER 380.A OG GLU 400.A OE1 no hydrogen 2.895 N/A LEU 381.A N ALA 574.A O no hydrogen 3.068 N/A PHE 385.A N ASP 382.A OD2 no hydrogen 3.099 N/A VAL 386.A N ASP 382.A O no hydrogen 2.889 N/A VAL 386.A N GLY 383.A O no hydrogen 3.180 N/A TYR 387.A N GLY 383.A O no hydrogen 3.172 N/A ILE 388.A N GLY 384.A O no hydrogen 3.408 N/A ALA 389.A N PHE 385.A O no hydrogen 2.844 N/A GLY 390.A N VAL 386.A O no hydrogen 2.953 N/A LYS 391.A N TYR 387.A O no hydrogen 3.078 N/A CYS 392.A N ILE 388.A O no hydrogen 3.229 N/A CYS 392.A SG ILE 388.A O no hydrogen 3.238 N/A GLY 393.A N GLY 390.A O no hydrogen 2.727 N/A LEU 394.A N ALA 389.A O no hydrogen 2.767 N/A VAL 395.A N THR 577.A O no hydrogen 2.794 N/A VAL 397.A N VAL 575.A O no hydrogen 2.985 N/A ALA 399.A N ALA 627.A O no hydrogen 2.995 N/A GLU 400.A N HIS 573.A O no hydrogen 2.695 N/A ASN 401.A N CYS 625.A O no hydrogen 2.872 N/A TYR 402.A N GLU 413.A OE2 no hydrogen 2.967 N/A TYR 402.A OH GLU 400.A OE2 no hydrogen 3.314 N/A ASP 403.A N GLU 413.A OE1 no hydrogen 2.951 N/A ASP 403.A N GLU 413.A OE2 no hydrogen 3.461 N/A SER 405.A OG ASN 407.A OD1 no hydrogen 3.480 N/A ASN 407.A N SER 405.A OG no hydrogen 3.238 N/A CYS 408.A SG ASN 401.A OD1 no hydrogen 3.448 N/A CYS 408.A SG ASP 403.A O no hydrogen 3.939 N/A ALA 418.A N ALA 568.A O no hydrogen 2.817 N/A VAL 421.A N ALA 519.A O no hydrogen 2.868 N/A VAL 422.A N GLU 548.A O no hydrogen 3.272 N/A ALA 426.A N LYS 423.A O no hydrogen 3.427 N/A ASP 428.A N ALA 426.A O no hydrogen 2.973 N/A ASN 433.A ND2 ASP 428.A O no hydrogen 2.949 N/A GLY 436.A N PHE 468.A O no hydrogen 2.571 N/A LYS 438.A N ASP 517.A OD1 no hydrogen 2.926 N/A LYS 438.A NZ GLU 471.A OE1 no hydrogen 3.153 N/A SER 439.A N GLU 471.A O no hydrogen 2.887 N/A SER 439.A OG HIS 441.A NE2 no hydrogen 3.296 N/A SER 439.A OG GLU 471.A O no hydrogen 3.505 N/A CYS 440.A SG SER 439.A O no hydrogen 3.159 N/A CYS 440.A SG ALA 508.A O no hydrogen 3.748 N/A HIS 441.A N CYS 473.A O no hydrogen 2.734 N/A HIS 441.A ND1 GLY 449.A O no hydrogen 2.844 N/A VAL 444.A N PRO 475.A O no hydrogen 3.033 N/A ARG 446.A N ALA 443.A O no hydrogen 3.159 N/A ASN 451.A N ARG 446.A O no hydrogen 2.652 N/A ILE 452.A N THR 447.A O no hydrogen 3.017 N/A LEU 455.A N ILE 452.A O no hydrogen 2.846 N/A ASN 458.A ND2 LEU 455.A O no hydrogen 3.544 N/A ILE 460.A N LEU 456.A O no hydrogen 3.507 N/A ASN 461.A N TYR 457.A O no hydrogen 2.648 N/A PHE 469.A N ASP 466.A O no hydrogen 3.173 N/A SER 470.A OG GLY 436.A O no hydrogen 2.618 N/A GLU 471.A N LYS 437.A O no hydrogen 3.420 N/A CYS 473.A N SER 439.A O no hydrogen 3.098 N/A ALA 474.A N LEU 483.A O no hydrogen 2.851 N/A SER 477.A OG ALA 474.A O no hydrogen 3.320 N/A LYS 479.A NZ GLU 495.A OE2 no hydrogen 2.847 N/A SER 482.A OG PHE 469.A O no hydrogen 3.012 N/A SER 482.A OG SER 470.A O no hydrogen 2.478 N/A LEU 483.A N SER 481.A OG no hydrogen 3.238 N/A CYS 484.A N SER 481.A OG no hydrogen 3.033 N/A CYS 484.A SG CYS 494.A O no hydrogen 3.803 N/A LYS 485.A N SER 481.A O no hydrogen 2.987 N/A CYS 487.A N CYS 484.A O no hydrogen 3.145 N/A CYS 487.A SG LEU 483.A O no hydrogen 3.358 N/A CYS 494.A SG ALA 474.A O no hydrogen 3.888 N/A GLU 495.A N GLU 500.A OE1 no hydrogen 3.363 N/A ASN 497.A N GLU 495.A O no hydrogen 2.754 N/A ASN 497.A ND2 GLU 495.A O no hydrogen 3.052 N/A GLU 500.A N ASN 497.A O no hydrogen 2.998 N/A GLY 501.A N GLU 500.A OE2 no hydrogen 2.852 N/A TYR 502.A N GLU 500.A OE2 no hydrogen 3.345 N/A TYR 502.A OH GLU 514.A OE1 no hydrogen 2.334 N/A GLY 504.A N THR 442.A O no hydrogen 3.236 N/A TYR 505.A OH TYR 416.A OH no hydrogen 3.031 N/A GLY 507.A N TYR 503.A O no hydrogen 3.216 N/A ALA 508.A N GLY 504.A O no hydrogen 3.315 N/A ARG 510.A N THR 506.A O no hydrogen 3.073 N/A ARG 510.A NE GLU 514.A OE2 no hydrogen 3.177 N/A CYS 511.A N GLY 507.A O no hydrogen 2.911 N/A CYS 511.A SG SER 439.A O no hydrogen 3.506 N/A LEU 512.A N ALA 508.A O no hydrogen 3.135 N/A LEU 512.A N PHE 509.A O no hydrogen 3.160 N/A VAL 513.A N PHE 509.A O no hydrogen 3.119 N/A GLY 516.A N GLU 514.A O no hydrogen 2.542 N/A ASP 517.A N LYS 438.A O no hydrogen 2.797 N/A VAL 518.A N LYS 438.A O no hydrogen 2.742 N/A ALA 519.A N VAL 421.A O no hydrogen 2.784 N/A PHE 520.A N CYS 440.A O no hydrogen 3.060 N/A VAL 521.A N VAL 419.A O no hydrogen 3.135 N/A HIS 523.A N PHE 417.A O no hydrogen 2.997 N/A THR 525.A OG1 LYS 522.A O no hydrogen 2.528 N/A GLN 528.A N THR 525.A O no hydrogen 3.428 N/A ASN 529.A N THR 525.A O no hydrogen 3.067 N/A ASN 529.A N VAL 526.A O no hydrogen 3.197 N/A THR 530.A OG1 VAL 526.A O no hydrogen 2.835 N/A GLY 531.A N LEU 542.A O no hydrogen 3.046 N/A LYS 533.A N THR 530.A O no hydrogen 2.895 N/A LYS 533.A NZ PRO 527.A O no hydrogen 3.459 N/A LYS 540.A N PRO 537.A O no hydrogen 3.253 N/A LYS 545.A NZ LYS 545.A O no hydrogen 2.680 N/A ASP 546.A N ASN 543.A O no hydrogen 3.005 N/A TYR 547.A N GLU 544.A O no hydrogen 3.106 N/A GLU 548.A N VAL 422.A O no hydrogen 3.373 N/A LEU 549.A N LYS 557.A O no hydrogen 2.700 N/A LEU 550.A N ALA 420.A O no hydrogen 2.873 N/A CYS 551.A N THR 555.A O no hydrogen 3.232 N/A CYS 551.A SG THR 555.A OG1 no hydrogen 3.540 N/A GLY 554.A N CYS 551.A O no hydrogen 3.186 N/A THR 555.A N ASP 553.A OD2 no hydrogen 3.491 N/A THR 555.A OG1 ASP 553.A OD2 no hydrogen 3.099 N/A LYS 557.A N LEU 549.A O no hydrogen 2.962 N/A ASN 564.A N GLU 561.A O no hydrogen 3.165 N/A CYS 565.A N TYR 562.A O no hydrogen 2.723 N/A LEU 567.A N ALA 418.A O no hydrogen 2.948 N/A ARG 569.A NE GLY 415.A O no hydrogen 2.943 N/A ARG 569.A NH2 GLY 415.A O no hydrogen 3.419 N/A ALA 570.A N TYR 416.A O no hydrogen 3.104 N/A ASN 572.A ND2 GLU 400.A O no hydrogen 2.842 N/A ASN 572.A ND2 GLU 413.A OE2 no hydrogen 3.489 N/A HIS 573.A N TYR 402.A OH no hydrogen 3.154 N/A ALA 574.A N LEU 381.A O no hydrogen 2.751 N/A VAL 575.A N LEU 398.A O no hydrogen 2.653 N/A THR 577.A N VAL 395.A O no hydrogen 3.046 N/A ARG 578.A NE ASP 580.A OD1 no hydrogen 3.360 N/A ARG 578.A NE ASP 580.A OD2 no hydrogen 3.450 N/A ARG 578.A NH2 ASP 580.A OD2 no hydrogen 2.875 N/A LYS 579.A NZ GLU 582.A OE1 no hydrogen 2.723 N/A VAL 585.A N LYS 581.A O no hydrogen 2.855 N/A HIS 586.A N GLU 582.A O no hydrogen 2.792 N/A LYS 587.A N ALA 583.A O no hydrogen 2.871 N/A ILE 588.A N CYS 584.A O no hydrogen 2.677 N/A LEU 589.A N VAL 585.A O no hydrogen 2.901 N/A ARG 590.A N LYS 587.A O no hydrogen 2.872 N/A ARG 590.A NH2 LEU 626.A O no hydrogen 3.313 N/A GLN 592.A N ILE 588.A O no hydrogen 3.217 N/A GLN 593.A NE2 GLU 409.A OE2 no hydrogen 2.706 N/A GLN 593.A NE2 LEU 626.A O no hydrogen 3.365 N/A HIS 594.A N ARG 590.A O no hydrogen 2.981 N/A HIS 594.A N GLN 591.A O no hydrogen 2.808 N/A LEU 595.A N GLN 591.A O no hydrogen 2.993 N/A PHE 596.A N GLN 592.A O no hydrogen 3.132 N/A ASP 602.A N VAL 600.A O no hydrogen 2.573 N/A GLY 605.A N CYS 603.A O no hydrogen 2.599 N/A LEU 609.A N PHE 596.A O no hydrogen 2.949 N/A ARG 611.A N CYS 608.A O no hydrogen 3.268 N/A SER 612.A OG ASP 621.A OD2 no hydrogen 2.680 N/A LYS 615.A N THR 614.A OG1 no hydrogen 2.616 N/A LEU 617.A N SER 612.A OG no hydrogen 2.730 N/A ARG 620.A NE HIS 573.A NE2 no hydrogen 3.154 N/A ARG 620.A NH1 ASP 622.A OD1 no hydrogen 3.242 N/A ASP 621.A N ASP 616.A OD1 no hydrogen 3.299 N/A ASP 622.A N ASP 622.A OD2 no hydrogen 2.486 N/A THR 623.A N ARG 620.A O no hydrogen 3.053 N/A THR 623.A OG1 GLU 400.A OE2 no hydrogen 3.085 N/A THR 623.A OG1 ARG 620.A O no hydrogen 2.808 N/A VAL 624.A N ASN 401.A O no hydrogen 2.745 N/A CYS 625.A SG ASN 401.A OD1 no hydrogen 3.924 N/A LEU 626.A N GLN 593.A OE1 no hydrogen 2.364 N/A LYS 628.A N GLU 409.A O no hydrogen 3.048 N/A LYS 628.A NZ ASP 410.A OD2 no hydrogen 2.629 N/A LEU 629.A N VAL 397.A O no hydrogen 3.468 N/A ASN 633.A N ASP 631.A O no hydrogen 2.428 N/A ASN 633.A ND2 LEU 629.A O no hydrogen 2.746 N/A ASN 633.A ND2 ASP 631.A O no hydrogen 3.336 N/A TYR 638.A N THR 634.A O no hydrogen 2.901 N/A TYR 638.A OH ASN 572.A O no hydrogen 2.717 N/A LEU 639.A N TYR 635.A O no hydrogen 3.202 N/A LEU 639.A N GLU 636.A O no hydrogen 3.167 N/A GLY 640.A N GLU 636.A O no hydrogen 2.994 N/A VAL 644.A N GLY 640.A O no hydrogen 3.236 N/A LYS 645.A N GLU 641.A O no hydrogen 3.020 N/A ALA 646.A N GLU 642.A O no hydrogen 2.965 N/A VAL 647.A N TYR 643.A O no hydrogen 2.975 N/A GLY 648.A N VAL 644.A O no hydrogen 3.070 N/A ASN 649.A N LYS 645.A O no hydrogen 2.973 N/A ASN 649.A ND2 GLY 454.A O no hydrogen 3.210 N/A LEU 650.A N ALA 646.A O no hydrogen 2.978 N/A ARG 651.A N VAL 647.A O no hydrogen 2.783 N/A ARG 651.A N GLY 648.A O no hydrogen 3.057 N/A ARG 651.A NH1 SER 654.A O no hydrogen 3.507 N/A LYS 652.A N ASN 649.A O no hydrogen 2.853 N/A LYS 652.A NZ ASN 649.A OD1 no hydrogen 2.580 N/A CYS 653.A N LEU 650.A O no hydrogen 3.163 N/A SER 654.A N LEU 650.A O no hydrogen 3.313 N/A SER 656.A OG GLU 367.A OE1 no hydrogen 3.033 N/A LEU 658.A N GLU 367.A OE2 no hydrogen 3.439 N/A LEU 659.A N SER 656.A OG no hydrogen 3.391 N/A GLU 660.A N SER 656.A O no hydrogen 3.443 N/A ALA 661.A N SER 657.A O no hydrogen 3.241 N/A CYS 662.A N LEU 658.A O no hydrogen 2.945 N/A CYS 662.A SG LEU 658.A O no hydrogen 3.356 N/A THR 663.A N LEU 659.A O no hydrogen 2.945 N/A THR 663.A OG1 LEU 659.A O no hydrogen 2.928 N/A PHE 664.A N GLU 660.A O no hydrogen 2.741 N/A ARG 665.A N CYS 662.A O no hydrogen 3.176 N/A ARG 665.A NE TYR 306.A O no hydrogen 2.974 N/A ARG 666.A N CYS 662.A O no hydrogen 3.113 N/A ARG 666.A N THR 663.A O no hydrogen 2.899 N/A