Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6hiw_DD.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 4.A N HIS 1.A O no hydrogen 3.081 N/A SER 15.A N ASP 13.A OD1 no hydrogen 3.332 N/A SER 15.A OG ASP 13.A OD1 no hydrogen 2.365 N/A ARG 17.A N ASP 13.A O no hydrogen 3.118 N/A MET 18.A N PRO 14.A O no hydrogen 2.980 N/A MET 19.A N SER 15.A O no hydrogen 2.953 N/A ARG 20.A N LEU 16.A O no hydrogen 3.093 N/A ALA 21.A N MET 18.A O no hydrogen 3.405 N/A GLY 24.A N ALA 21.A O no hydrogen 3.112 N/A LEU 28.A N GLY 24.A O no hydrogen 3.038 N/A ARG 29.A N TYR 25.A O no hydrogen 2.935 N/A ARG 30.A N GLN 26.A O no hydrogen 2.978 N/A ARG 30.A NH1 GLY 694.A O no hydrogen 2.674 N/A MET 31.A N GLN 27.A O no hydrogen 2.953 N/A GLY 32.A N LEU 28.A O no hydrogen 2.880 N/A GLY 32.A N ARG 29.A O no hydrogen 3.087 N/A MET 33.A N LEU 28.A O no hydrogen 3.117 N/A GLN 36.A NE2 GLY 38.A O no hydrogen 3.318 N/A SER 46.A OG HIS 48.A O no hydrogen 2.606 N/A ASN 50.A N ARG 42.A O no hydrogen 3.289 N/A ASN 50.A ND2 ARG 42.A O no hydrogen 3.408 N/A THR 51.A N LYS 43.A O no hydrogen 3.216 N/A GLN 52.A NE2 ALA 49.A O no hydrogen 3.484 N/A TYR 53.A N ASN 50.A O no hydrogen 2.863 N/A SER 61.A OG SER 61.A O no hydrogen 2.551 N/A LEU 65.A N ASP 69.A OD1 no hydrogen 3.321 N/A GLY 66.A N ASP 64.A OD1 no hydrogen 2.658 N/A SER 68.A N ASP 64.A OD1 no hydrogen 2.787 N/A SER 68.A OG ASN 67.A O no hydrogen 2.433 N/A SER 71.A N GLN 70.A OE1 no hydrogen 2.504 N/A SER 71.A OG GLN 70.A OE1 no hydrogen 3.083 N/A ASN 72.A N SER 68.A O no hydrogen 3.210 N/A ASN 72.A ND2 ASN 67.A O no hydrogen 3.028 N/A MET 78.A N THR 74.A O no hydrogen 2.342 N/A TYR 79.A N LYS 75.A O no hydrogen 2.986 N/A SER 80.A N ASN 76.A O no hydrogen 2.959 N/A SER 80.A OG ASN 76.A O no hydrogen 2.860 N/A MET 81.A N ILE 77.A O no hydrogen 3.076 N/A TYR 82.A N ILE 77.A O no hydrogen 3.064 N/A TYR 82.A OH ASN 67.A OD1 no hydrogen 3.129 N/A TYR 82.A OH ASP 69.A OD2 no hydrogen 2.769 N/A MET 83.A N MET 78.A O no hydrogen 3.048 N/A LYS 85.A NZ SER 80.A O no hydrogen 2.580 N/A ASN 87.A N THR 90.A OG1 no hydrogen 2.743 N/A LYS 88.A N ASN 87.A OD1 no hydrogen 2.651 N/A THR 90.A N ASN 87.A O no hydrogen 2.839 N/A THR 90.A OG1 ASN 87.A O no hydrogen 2.660 N/A TRP 93.A N PRO 84.A O no hydrogen 3.022 N/A TRP 93.A NE1 GLN 698.A OE1 no hydrogen 3.132 N/A THR 99.A N GLY 96.A O no hydrogen 3.212 N/A THR 99.A OG1 PHE 94.A O no hydrogen 3.372 N/A THR 99.A OG1 GLY 96.A O no hydrogen 2.470 N/A TYR 104.A OH GLY 697.A O no hydrogen 2.530 N/A TYR 104.A OH ARG 700.A O no hydrogen 2.631 N/A CYS 105.A N VAL 102.A O no hydrogen 3.072 N/A GLN 107.A NE2 LYS 103.A O no hydrogen 3.240 N/A TYR 110.A N ASP 684.A O no hydrogen 2.491 N/A TYR 110.A OH HIS 678.A NE2 no hydrogen 3.372 N/A TYR 112.A OH PRO 683.A O no hydrogen 3.024 N/A GLN 113.A N TYR 110.A O no hydrogen 3.486 N/A ARG 114.A N GLN 113.A OE1 no hydrogen 2.580 N/A ARG 120.A NH1 ASN 160.A O no hydrogen 3.262 N/A ARG 120.A NH2 ASN 160.A O no hydrogen 3.188 N/A TYR 125.A N PHE 121.A O no hydrogen 3.168 N/A LYS 126.A N PRO 122.A O no hydrogen 3.074 N/A LYS 127.A N SER 123.A O no hydrogen 3.005 N/A HIS 128.A N GLU 124.A O no hydrogen 2.901 N/A PHE 129.A N TYR 125.A O no hydrogen 2.926 N/A LEU 130.A N LYS 126.A O no hydrogen 2.993 N/A SER 131.A N LYS 127.A O no hydrogen 2.987 N/A SER 131.A OG ASN 135.A OD1 no hydrogen 3.551 N/A PHE 132.A N HIS 128.A O no hydrogen 2.959 N/A LEU 133.A N PHE 129.A O no hydrogen 2.918 N/A SER 134.A N LEU 130.A O no hydrogen 2.963 N/A SER 134.A OG SER 131.A O no hydrogen 3.030 N/A ASN 135.A N SER 131.A O no hydrogen 2.939 N/A ILE 136.A N PHE 132.A O no hydrogen 2.928 N/A ARG 137.A N LEU 133.A O no hydrogen 2.908 N/A SER 139.A OG SER 140.A OG no hydrogen 2.537 N/A SER 139.A OG GLU 148.A OE2 no hydrogen 2.652 N/A SER 140.A N THR 144.A OG1 no hydrogen 2.948 N/A SER 140.A OG SER 139.A OG no hydrogen 2.537 N/A THR 144.A OG1 SER 140.A O no hydrogen 2.023 N/A GLU 148.A N ILE 145.A O no hydrogen 3.015 N/A ALA 149.A N PRO 146.A O no hydrogen 3.114 N/A HIS 151.A N GLN 147.A O no hydrogen 2.991 N/A TRP 152.A N GLU 148.A O no hydrogen 2.941 N/A LEU 153.A N ALA 149.A O no hydrogen 3.025 N/A LEU 154.A N LEU 150.A O no hydrogen 3.001 N/A ARG 155.A N HIS 151.A O no hydrogen 2.888 N/A ARG 155.A NE HIS 151.A NE2 no hydrogen 3.330 N/A ARG 155.A NH2 HIS 151.A NE2 no hydrogen 3.509 N/A MET 156.A N TRP 152.A O no hydrogen 2.977 N/A ILE 157.A N LEU 153.A O no hydrogen 3.062 N/A VAL 158.A N LEU 154.A O no hydrogen 2.883 N/A ASP 159.A N ARG 155.A O no hydrogen 3.072 N/A ASN 160.A N ILE 157.A O no hydrogen 2.961 N/A PHE 161.A N MET 156.A O no hydrogen 3.400 N/A ASN 162.A ND2 HIS 267.A O no hydrogen 3.318 N/A GLN 164.A NE2 ASN 162.A O no hydrogen 3.410 N/A GLN 164.A NE2 HIS 267.A O no hydrogen 3.223 N/A HIS 165.A ND1 THR 202.A OG1 no hydrogen 3.253 N/A HIS 167.A N GLN 164.A O no hydrogen 3.109 N/A TYR 168.A N GLN 164.A O no hydrogen 3.436 N/A ILE 169.A N HIS 165.A O no hydrogen 2.992 N/A ALA 170.A N VAL 166.A O no hydrogen 2.926 N/A ALA 171.A N HIS 167.A O no hydrogen 2.895 N/A MET 172.A N TYR 168.A O no hydrogen 2.918 N/A LYS 173.A N ILE 169.A O no hydrogen 2.886 N/A THR 174.A N ALA 170.A O no hydrogen 2.922 N/A THR 174.A OG1 ALA 170.A O no hydrogen 3.036 N/A LEU 175.A N ALA 171.A O no hydrogen 2.944 N/A GLN 176.A N MET 172.A O no hydrogen 2.906 N/A GLN 176.A NE2 GLU 212.A OE1 no hydrogen 3.376 N/A SER 177.A N LYS 173.A O no hydrogen 2.913 N/A SER 177.A OG LYS 173.A O no hydrogen 2.253 N/A ALA 178.A N THR 174.A O no hydrogen 2.987 N/A GLY 179.A N GLN 176.A O no hydrogen 2.814 N/A GLU 180.A N LEU 175.A O no hydrogen 3.186 N/A ARG 185.A NE TYR 206.A OH no hydrogen 3.141 N/A ASP 186.A N ASP 182.A O no hydrogen 2.949 N/A VAL 187.A N MET 183.A O no hydrogen 2.939 N/A TRP 188.A N ALA 184.A O no hydrogen 3.076 N/A LYS 189.A N ARG 185.A O no hydrogen 2.863 N/A ILE 190.A N ASP 186.A O no hydrogen 2.953 N/A MET 191.A N VAL 187.A O no hydrogen 2.950 N/A GLU 192.A N TRP 188.A O no hydrogen 2.915 N/A ARG 193.A N LYS 189.A O no hydrogen 2.982 N/A GLN 194.A N ILE 190.A O no hydrogen 3.175 N/A GLN 195.A N GLU 192.A O no hydrogen 2.919 N/A GLN 195.A NE2 GLU 192.A O no hydrogen 2.915 N/A THR 196.A N MET 191.A O no hydrogen 3.276 N/A TRP 197.A N ASN 270.A OD1 no hydrogen 2.763 N/A CYS 199.A SG HIS 165.A ND1 no hydrogen 3.756 N/A CYS 199.A SG THR 202.A OG1 no hydrogen 3.311 N/A THR 200.A N ASN 277.A OD1 no hydrogen 2.998 N/A THR 202.A OG1 HIS 165.A ND1 no hydrogen 3.253 N/A ILE 203.A N CYS 199.A O no hydrogen 3.048 N/A CYS 204.A N THR 200.A O no hydrogen 2.905 N/A CYS 204.A SG THR 200.A O no hydrogen 3.226 N/A CYS 204.A SG GLU 284.A OE1 no hydrogen 3.606 N/A ALA 205.A N ALA 201.A O no hydrogen 3.023 N/A TYR 206.A N THR 202.A O no hydrogen 2.939 N/A LEU 207.A N ILE 203.A O no hydrogen 2.902 N/A ASP 208.A N CYS 204.A O no hydrogen 2.881 N/A VAL 209.A N ALA 205.A O no hydrogen 3.037 N/A CYS 210.A N TYR 206.A O no hydrogen 2.920 N/A CYS 210.A SG TYR 206.A O no hydrogen 3.156 N/A VAL 211.A N LEU 207.A O no hydrogen 2.908 N/A GLU 212.A N ASP 208.A O no hydrogen 3.003 N/A ALA 213.A N VAL 209.A O no hydrogen 2.944 N/A GLY 214.A N CYS 210.A O no hydrogen 2.630 N/A GLU 215.A N CYS 210.A O no hydrogen 3.302 N/A THR 217.A OG1 GLU 215.A OE1 no hydrogen 3.341 N/A MET 220.A N LYS 216.A O no hydrogen 2.941 N/A GLU 221.A N THR 217.A O no hydrogen 3.385 N/A ALA 222.A N TRP 218.A O no hydrogen 2.980 N/A TRP 223.A N ALA 219.A O no hydrogen 2.881 N/A ASN 224.A N MET 220.A O no hydrogen 2.867 N/A ARG 225.A N GLU 221.A O no hydrogen 2.981 N/A ARG 225.A NH1 GLU 192.A OE2 no hydrogen 2.666 N/A TYR 226.A N ALA 222.A O no hydrogen 3.263 N/A TYR 226.A OH GLU 192.A OE2 no hydrogen 3.099 N/A CYS 227.A SG TRP 223.A O no hydrogen 3.766 N/A THR 228.A N GLU 229.A OE1 no hydrogen 2.980 N/A THR 228.A OG1 TRP 223.A O no hydrogen 3.544 N/A THR 228.A OG1 ASN 224.A O no hydrogen 3.323 N/A GLU 229.A N GLU 229.A OE1 no hydrogen 2.408 N/A LYS 241.A N ARG 278.A O no hydrogen 3.000 N/A LYS 241.A NZ VAL 238.A O no hydrogen 3.279 N/A SER 244.A N ASP 275.A OD1 no hydrogen 3.365 N/A ARG 245.A N ASP 275.A OD2 no hydrogen 3.225 N/A SER 249.A OG PRO 247.A O no hydrogen 3.272 N/A THR 251.A N GLU 254.A OE1 no hydrogen 3.321 N/A ARG 252.A NE GLU 253.A OE2 no hydrogen 2.650 N/A LEU 255.A N THR 251.A O no hydrogen 2.896 N/A LEU 256.A N ARG 252.A O no hydrogen 2.942 N/A TYR 257.A N GLU 253.A O no hydrogen 2.970 N/A LEU 258.A N GLU 254.A O no hydrogen 3.359 N/A LYS 262.A N PRO 259.A O no hydrogen 3.321 N/A LYS 263.A N LYS 260.A O no hydrogen 3.181 N/A LYS 263.A NZ LEU 255.A O no hydrogen 2.893 N/A HIS 264.A N TRP 261.A O no hydrogen 3.078 N/A ASP 266.A N ASP 266.A OD1 no hydrogen 2.329 N/A ASN 270.A ND2 GLN 195.A O no hydrogen 3.438 N/A LEU 276.A N ASP 272.A O no hydrogen 2.735 N/A LEU 276.A N VAL 273.A O no hydrogen 3.129 N/A ASN 277.A N VAL 273.A O no hydrogen 3.254 N/A ARG 278.A NH1 LYS 241.A O no hydrogen 3.032 N/A ASN 280.A N ASN 277.A O no hydrogen 3.475 N/A ARG 281.A NH2 LEU 276.A O no hydrogen 3.368 N/A THR 282.A N ASN 280.A OD1 no hydrogen 3.318 N/A THR 282.A OG1 LYS 231.A O no hydrogen 2.731 N/A THR 282.A OG1 ASN 280.A OD1 no hydrogen 3.354 N/A ARG 283.A NH1 ASN 376.A OD1 no hydrogen 2.825 N/A ARG 283.A NH2 SER 371.A O no hydrogen 3.495 N/A ARG 283.A NH2 PHE 374.A O no hydrogen 3.492 N/A GLU 284.A N ARG 281.A O no hydrogen 2.914 N/A TYR 286.A N THR 282.A O no hydrogen 2.979 N/A LEU 287.A N ARG 283.A O no hydrogen 2.964 N/A ARG 288.A N GLU 284.A O no hydrogen 2.921 N/A MET 289.A N VAL 285.A O no hydrogen 2.940 N/A ALA 290.A N TYR 286.A O no hydrogen 2.927 N/A GLN 291.A N LEU 287.A O no hydrogen 2.980 N/A VAL 292.A N ARG 288.A O no hydrogen 2.919 N/A MET 293.A N MET 289.A O no hydrogen 2.971 N/A LEU 294.A N ALA 290.A O no hydrogen 2.972 N/A ALA 295.A N GLN 291.A O no hydrogen 2.891 N/A GLY 296.A N VAL 292.A O no hydrogen 2.935 N/A GLY 297.A N LEU 294.A O no hydrogen 2.913 N/A GLU 298.A N MET 293.A O no hydrogen 3.013 N/A GLN 303.A N ARG 299.A O no hydrogen 2.878 N/A HIS 304.A N ASN 300.A O no hydrogen 2.917 N/A PHE 305.A N ALA 301.A O no hydrogen 2.955 N/A PHE 306.A N PHE 302.A O no hydrogen 2.890 N/A THR 307.A N GLN 303.A O no hydrogen 2.909 N/A THR 307.A OG1 GLN 303.A O no hydrogen 2.509 N/A LYS 308.A N HIS 304.A O no hydrogen 2.976 N/A LEU 309.A N PHE 305.A O no hydrogen 2.943 N/A GLU 310.A N PHE 306.A O no hydrogen 2.906 N/A GLU 311.A N THR 307.A O no hydrogen 2.928 N/A ALA 312.A N LYS 308.A O no hydrogen 2.955 N/A MET 313.A N LEU 309.A O no hydrogen 2.874 N/A LEU 314.A N GLU 310.A O no hydrogen 2.966 N/A ASN 315.A N GLU 311.A O no hydrogen 2.958 N/A ASN 315.A ND2 GLU 311.A OE2 no hydrogen 3.244 N/A LYS 316.A N ALA 312.A O no hydrogen 3.115 N/A LEU 328.A N ASN 325.A O no hydrogen 3.295 N/A VAL 329.A N ASN 325.A O no hydrogen 3.264 N/A ARG 333.A N ARG 331.A O no hydrogen 3.043 N/A CYS 340.A SG ASN 353.A OD1 no hydrogen 3.275 N/A GLN 351.A NE2 HIS 345.A ND1 no hydrogen 3.671 N/A ASN 353.A N ASN 352.A OD1 no hydrogen 3.277 N/A ALA 358.A N ASN 352.A OD1 no hydrogen 3.190 N/A THR 364.A N ASP 552.A OD2 no hydrogen 2.952 N/A SER 371.A OG GLU 284.A OE2 no hydrogen 3.391 N/A PHE 373.A N GLN 370.A O no hydrogen 3.094 N/A ASN 376.A ND2 LYS 316.A O no hydrogen 2.548 N/A GLN 378.A N SER 375.A OG no hydrogen 3.074 N/A PHE 379.A N SER 375.A O no hydrogen 3.005 N/A LEU 380.A N ASN 376.A O no hydrogen 2.944 N/A VAL 381.A N ASP 377.A O no hydrogen 3.033 N/A HIS 382.A N GLN 378.A O no hydrogen 2.899 N/A SER 383.A N PHE 379.A O no hydrogen 2.859 N/A SER 383.A OG LEU 380.A O no hydrogen 2.326 N/A VAL 384.A N LEU 380.A O no hydrogen 3.058 N/A LYS 385.A N VAL 381.A O no hydrogen 3.020 N/A GLU 386.A N HIS 382.A O no hydrogen 2.902 N/A VAL 387.A N SER 383.A O no hydrogen 2.914 N/A LEU 388.A N VAL 384.A O no hydrogen 2.979 N/A ARG 389.A N LYS 385.A O no hydrogen 2.969 N/A ARG 389.A NE GLU 386.A OE2 no hydrogen 2.797 N/A ARG 389.A NH2 GLU 386.A OE2 no hydrogen 2.474 N/A ILE 390.A N GLU 386.A O no hydrogen 2.965 N/A VAL 391.A N VAL 387.A O no hydrogen 2.962 N/A LEU 392.A N LEU 388.A O no hydrogen 2.945 N/A GLN 393.A N ARG 389.A O no hydrogen 2.963 N/A GLN 393.A NE2 VAL 211.A O no hydrogen 3.140 N/A GLU 394.A N ILE 390.A O no hydrogen 2.887 N/A HIS 395.A N VAL 391.A O no hydrogen 2.950 N/A LYS 396.A N LEU 392.A O no hydrogen 2.962 N/A ARG 397.A N GLN 393.A O no hydrogen 2.958 N/A ARG 397.A NE GLU 394.A OE1 no hydrogen 3.528 N/A ARG 397.A NH1 GLU 212.A O no hydrogen 2.765 N/A ARG 397.A NH2 GLU 212.A O no hydrogen 3.407 N/A ARG 397.A NH2 GLU 394.A OE1 no hydrogen 3.443 N/A ALA 398.A N GLU 394.A O no hydrogen 2.953 N/A HIS 399.A N HIS 395.A O no hydrogen 2.982 N/A GLU 402.A N GLU 402.A OE1 no hydrogen 2.594 N/A CYS 403.A SG HIS 399.A O no hydrogen 3.707 N/A THR 404.A OG1 PRO 400.A O no hydrogen 2.621 N/A ARG 405.A NE ASP 505.A OD1 no hydrogen 3.182 N/A ARG 405.A NH1 GLN 556.A OE1 no hydrogen 3.078 N/A ARG 405.A NH1 GLU 559.A OE1 no hydrogen 2.438 N/A ARG 405.A NH2 ASP 505.A OD1 no hydrogen 3.435 N/A ARG 405.A NH2 GLN 556.A OE1 no hydrogen 3.125 N/A CYS 406.A SG ARG 405.A O no hydrogen 2.963 N/A PHE 411.A N THR 408.A O no hydrogen 3.046 N/A PHE 412.A N GLU 409.A O no hydrogen 2.970 N/A LYS 414.A NZ ASP 419.A OD1 no hydrogen 3.127 N/A ALA 418.A N THR 415.A O no hydrogen 3.210 N/A THR 421.A OG1 ASP 417.A O no hydrogen 2.876 N/A LEU 422.A N ALA 418.A O no hydrogen 2.945 N/A LYS 423.A N ASP 419.A O no hydrogen 2.931 N/A PHE 424.A N GLU 420.A O no hydrogen 2.956 N/A CYS 425.A N THR 421.A O no hydrogen 2.986 N/A CYS 425.A SG THR 421.A O no hydrogen 3.689 N/A ASP 426.A N LEU 422.A O no hydrogen 2.910 N/A ASP 427.A N LYS 423.A O no hydrogen 2.948 N/A LEU 428.A N PHE 424.A O no hydrogen 2.953 N/A ILE 429.A N CYS 425.A O no hydrogen 2.939 N/A GLU 430.A N ASP 426.A O no hydrogen 2.934 N/A ARG 431.A N ASP 427.A O no hydrogen 2.917 N/A ARG 431.A NH2 THR 307.A OG1 no hydrogen 3.239 N/A LEU 432.A N LEU 428.A O no hydrogen 2.957 N/A PHE 433.A N ILE 429.A O no hydrogen 2.966 N/A ALA 434.A N GLU 430.A O no hydrogen 2.910 N/A SER 435.A N ARG 431.A O no hydrogen 2.969 N/A LEU 436.A N LEU 432.A O no hydrogen 3.161 N/A LEU 440.A N GLY 437.A O no hydrogen 3.249 N/A SER 441.A N VAL 438.A O no hydrogen 2.939 N/A SER 441.A OG VAL 438.A O no hydrogen 2.801 N/A ASN 442.A N ARG 439.A O no hydrogen 2.912 N/A LEU 443.A N LEU 440.A O no hydrogen 3.482 N/A THR 445.A OG1 LEU 443.A O no hydrogen 3.439 N/A LEU 449.A N THR 445.A O no hydrogen 2.881 N/A SER 450.A N SER 446.A O no hydrogen 2.962 N/A SER 450.A OG GLU 366.A OE1 no hydrogen 3.391 N/A SER 450.A OG SER 447.A O no hydrogen 2.892 N/A THR 451.A N SER 447.A O no hydrogen 2.982 N/A THR 451.A OG1 SER 447.A O no hydrogen 2.705 N/A ILE 452.A N LEU 448.A O no hydrogen 2.913 N/A LEU 453.A N LEU 449.A O no hydrogen 2.900 N/A GLU 454.A N SER 450.A O no hydrogen 2.954 N/A VAL 455.A N THR 451.A O no hydrogen 2.922 N/A PHE 456.A N ILE 452.A O no hydrogen 2.929 N/A ARG 457.A N LEU 453.A O no hydrogen 2.894 N/A VAL 458.A N GLU 454.A O no hydrogen 2.954 N/A VAL 459.A N VAL 455.A O no hydrogen 2.842 N/A LEU 467.A N SER 463.A O no hydrogen 3.117 N/A LEU 468.A N GLY 464.A O no hydrogen 2.920 N/A GLN 469.A N ALA 465.A O no hydrogen 2.938 N/A ARG 470.A N ALA 466.A O no hydrogen 2.910 N/A ARG 470.A NH1 GLU 462.A OE1 no hydrogen 3.183 N/A ALA 471.A N LEU 467.A O no hydrogen 2.911 N/A ASN 472.A N LEU 468.A O no hydrogen 2.962 N/A GLU 473.A N GLN 469.A O no hydrogen 2.911 N/A PHE 474.A N ARG 470.A O no hydrogen 2.942 N/A LEU 475.A N ALA 471.A O no hydrogen 2.946 N/A GLU 476.A N ASN 472.A O no hydrogen 2.921 N/A ARG 477.A N GLU 473.A O no hydrogen 2.945 N/A LYS 478.A N PHE 474.A O no hydrogen 2.932 N/A LYS 478.A NZ LEU 443.A O no hydrogen 3.152 N/A LYS 478.A NZ THR 445.A OG1 no hydrogen 3.195 N/A LYS 478.A NZ GLU 489.A OE2 no hydrogen 3.065 N/A ALA 479.A N LEU 475.A O no hydrogen 2.889 N/A SER 480.A N GLU 476.A O no hydrogen 2.873 N/A SER 480.A OG GLU 476.A O no hydrogen 3.276 N/A SER 480.A OG ARG 477.A O no hydrogen 2.801 N/A LEU 481.A N ARG 477.A O no hydrogen 2.978 N/A SER 487.A OG GLY 486.A O no hydrogen 2.383 N/A GLU 489.A N GLU 489.A OE1 no hydrogen 2.712 N/A SER 494.A OG GLU 366.A OE2 no hydrogen 2.705 N/A SER 494.A OG ASN 495.A OD1 no hydrogen 3.229 N/A ASN 495.A N THR 492.A O no hydrogen 2.872 N/A TYR 496.A N THR 492.A O no hydrogen 3.431 N/A LEU 497.A N ALA 493.A O no hydrogen 2.948 N/A GLN 498.A N SER 494.A O no hydrogen 3.016 N/A VAL 499.A N ASN 495.A O no hydrogen 2.927 N/A LEU 500.A N TYR 496.A O no hydrogen 2.882 N/A SER 501.A N LEU 497.A O no hydrogen 2.971 N/A SER 501.A OG LEU 497.A O no hydrogen 3.309 N/A SER 501.A OG GLN 498.A O no hydrogen 3.057 N/A GLY 502.A N GLN 498.A O no hydrogen 2.951 N/A PHE 503.A N VAL 499.A O no hydrogen 2.999 N/A ALA 504.A N LEU 500.A O no hydrogen 2.956 N/A ASP 505.A N SER 501.A O no hydrogen 2.929 N/A GLU 506.A N GLY 502.A O no hydrogen 2.934 N/A SER 507.A N PHE 503.A O no hydrogen 3.156 N/A SER 507.A OG PHE 503.A O no hydrogen 3.559 N/A VAL 510.A N GLN 520.A O no hydrogen 2.997 N/A ASN 512.A N THR 518.A O no hydrogen 3.173 N/A ASP 516.A N THR 513.A O no hydrogen 3.093 N/A CYS 519.A SG THR 518.A O no hydrogen 3.121 N/A GLN 520.A N VAL 510.A O no hydrogen 2.984 N/A GLN 520.A NE2 THR 513.A OG1 no hydrogen 2.766 N/A TYR 521.A OH GLY 563.A O no hydrogen 3.026 N/A THR 523.A OG1 TYR 413.A OH no hydrogen 2.540 N/A THR 529.A N ASP 526.A OD2 no hydrogen 2.873 N/A THR 529.A OG1 ASP 526.A OD2 no hydrogen 2.344 N/A THR 530.A N ASP 526.A O no hydrogen 3.252 N/A THR 530.A OG1 GLU 506.A OE1 no hydrogen 2.918 N/A THR 530.A OG1 ASP 526.A O no hydrogen 3.162 N/A MET 531.A N PRO 527.A O no hydrogen 2.935 N/A ARG 532.A N ARG 528.A O no hydrogen 2.921 N/A ARG 532.A NH1 HIS 533.A NE2 no hydrogen 3.569 N/A HIS 533.A N THR 529.A O no hydrogen 2.951 N/A LEU 534.A N THR 530.A O no hydrogen 2.901 N/A ALA 535.A N MET 531.A O no hydrogen 2.935 N/A ASP 536.A N ARG 532.A O no hydrogen 3.049 N/A VAL 537.A N HIS 533.A O no hydrogen 2.902 N/A VAL 538.A N LEU 534.A O no hydrogen 2.887 N/A GLN 539.A N ALA 535.A O no hydrogen 2.940 N/A GLU 540.A N ASP 536.A O no hydrogen 2.937 N/A ILE 541.A N VAL 537.A O no hydrogen 2.896 N/A ALA 542.A N VAL 538.A O no hydrogen 2.922 N/A GLY 543.A N GLN 539.A O no hydrogen 2.944 N/A ASN 544.A N GLU 540.A O no hydrogen 3.353 N/A ALA 551.A N PRO 361.A O no hydrogen 2.953 N/A MET 553.A N ASP 552.A OD1 no hydrogen 2.596 N/A HIS 554.A ND1 TYR 572.A OH no hydrogen 2.483 N/A LEU 555.A N ALA 551.A O no hydrogen 2.961 N/A GLN 556.A N ASP 552.A O no hydrogen 2.931 N/A GLN 556.A NE2 ASP 552.A O no hydrogen 3.595 N/A VAL 557.A N MET 553.A O no hydrogen 2.998 N/A VAL 558.A N HIS 554.A O no hydrogen 2.872 N/A GLU 559.A N LEU 555.A O no hydrogen 2.930 N/A THR 560.A N GLN 556.A O no hydrogen 2.939 N/A THR 560.A OG1 GLN 556.A O no hydrogen 2.423 N/A MET 561.A N VAL 557.A O no hydrogen 2.908 N/A VAL 562.A N VAL 558.A O no hydrogen 2.956 N/A GLY 563.A N GLU 559.A O no hydrogen 2.937 N/A CYS 564.A N THR 560.A O no hydrogen 3.257 N/A CYS 564.A N MET 561.A O no hydrogen 2.880 N/A CYS 564.A SG PRO 527.A O no hydrogen 3.868 N/A CYS 564.A SG THR 560.A O no hydrogen 3.303 N/A GLY 565.A N VAL 562.A O no hydrogen 3.311 N/A THR 566.A N MET 561.A O no hydrogen 3.495 N/A THR 566.A OG1 MET 561.A O no hydrogen 3.568 N/A ASN 570.A N GLU 594.A OE2 no hydrogen 3.100 N/A TYR 572.A N LYS 568.A O no hydrogen 3.110 N/A TYR 572.A OH HIS 554.A ND1 no hydrogen 2.483 N/A PHE 573.A N ALA 569.A O no hydrogen 2.884 N/A VAL 574.A N ASN 570.A O no hydrogen 2.882 N/A ARG 575.A N ASP 571.A O no hydrogen 2.896 N/A ASN 576.A N TYR 572.A O no hydrogen 2.902 N/A VAL 577.A N PHE 573.A O no hydrogen 2.906 N/A LEU 578.A N PHE 573.A O no hydrogen 3.037 N/A PHE 581.A N VAL 577.A O no hydrogen 2.938 N/A TRP 583.A NE1 LEU 578.A O no hydrogen 2.969 N/A SER 585.A N ASP 584.A OD1 no hydrogen 2.586 N/A SER 585.A OG SER 623.A OG no hydrogen 2.817 N/A ARG 586.A NE ASP 584.A OD2 no hydrogen 2.749 N/A ARG 586.A NH2 ASP 584.A OD2 no hydrogen 3.042 N/A GLU 589.A N SER 585.A O no hydrogen 2.960 N/A ALA 590.A N ARG 586.A O no hydrogen 3.040 N/A LEU 591.A N PHE 587.A O no hydrogen 2.889 N/A TYR 592.A N LEU 588.A O no hydrogen 2.897 N/A TYR 592.A OH LEU 629.A O no hydrogen 3.403 N/A TYR 592.A OH ASP 633.A OD2 no hydrogen 2.586 N/A VAL 593.A N GLU 589.A O no hydrogen 3.084 N/A GLU 594.A N ALA 590.A O no hydrogen 2.995 N/A TYR 595.A N LEU 591.A O no hydrogen 2.882 N/A TYR 595.A OH ASN 570.A OD1 no hydrogen 3.247 N/A ARG 596.A N TYR 592.A O no hydrogen 2.967 N/A ARG 596.A NH1 ASP 633.A OD1 no hydrogen 3.264 N/A ARG 596.A NH1 ASP 633.A OD2 no hydrogen 2.274 N/A ARG 596.A NH2 ASP 633.A OD1 no hydrogen 2.856 N/A ARG 597.A N GLU 594.A O no hydrogen 3.059 N/A ARG 597.A NH1 VAL 562.A O no hydrogen 3.257 N/A ARG 597.A NH2 TYR 521.A OH no hydrogen 3.271 N/A GLN 598.A N TYR 595.A O no hydrogen 2.983 N/A ALA 605.A N VAL 601.A O no hydrogen 2.947 N/A GLU 606.A N ASP 602.A O no hydrogen 2.896 N/A LEU 607.A N MET 603.A O no hydrogen 2.851 N/A THR 608.A N TRP 604.A O no hydrogen 2.942 N/A THR 608.A OG1 TRP 604.A O no hydrogen 3.213 N/A LYS 609.A N ALA 605.A O no hydrogen 2.866 N/A ARG 610.A N GLU 606.A O no hydrogen 2.928 N/A ALA 611.A N LEU 607.A O no hydrogen 2.921 N/A LEU 612.A N THR 608.A O no hydrogen 2.931 N/A VAL 613.A N LYS 609.A O no hydrogen 2.959 N/A TRP 614.A N ARG 610.A O no hydrogen 2.890 N/A THR 615.A N ALA 611.A O no hydrogen 2.966 N/A THR 615.A OG1 ALA 620.A O no hydrogen 3.095 N/A ALA 616.A N LEU 612.A O no hydrogen 2.950 N/A ARG 617.A N VAL 613.A O no hydrogen 2.930 N/A TYR 618.A N TRP 614.A O no hydrogen 2.891 N/A SER 623.A N SER 585.A OG no hydrogen 3.316 N/A SER 623.A OG SER 585.A OG no hydrogen 2.817 N/A SER 623.A OG GLU 589.A OE2 no hydrogen 3.226 N/A ARG 625.A NH1 GLU 589.A OE1 no hydrogen 3.206 N/A ARG 627.A N SER 623.A O no hydrogen 3.136 N/A ARG 627.A NH2 GLU 646.A OE1 no hydrogen 2.959 N/A ARG 628.A N GLU 624.A O no hydrogen 2.936 N/A ARG 628.A NE GLU 624.A OE1 no hydrogen 2.847 N/A LEU 629.A N ARG 625.A O no hydrogen 2.966 N/A ILE 630.A N LEU 626.A O no hydrogen 2.946 N/A GLU 631.A N ARG 627.A O no hydrogen 2.948 N/A ASP 632.A N ARG 628.A O no hydrogen 3.001 N/A ASP 633.A N ILE 630.A O no hydrogen 3.270 N/A TYR 634.A N GLU 631.A O no hydrogen 3.043 N/A ILE 637.A N ASP 633.A O no hydrogen 2.963 N/A ARG 638.A N TYR 634.A O no hydrogen 2.931 N/A ARG 642.A NH2 GLU 624.A OE2 no hydrogen 2.666 N/A LEU 647.A N THR 643.A O no hydrogen 3.100 N/A ALA 648.A N PHE 644.A O no hydrogen 2.994 N/A VAL 649.A N ARG 645.A O no hydrogen 2.967 N/A PHE 650.A N GLU 646.A O no hydrogen 2.933 N/A GLN 651.A N LEU 647.A O no hydrogen 2.894 N/A PHE 652.A N ALA 648.A O no hydrogen 3.104 N/A ARG 653.A N VAL 649.A O no hydrogen 2.931 N/A ARG 653.A NE GLU 657.A OE2 no hydrogen 3.086 N/A ASP 654.A N PHE 650.A O no hydrogen 2.866 N/A VAL 655.A N GLN 651.A O no hydrogen 2.941 N/A GLU 656.A N PHE 652.A O no hydrogen 3.006 N/A GLU 657.A N ARG 653.A O no hydrogen 2.912 N/A ARG 658.A N ASP 654.A O no hydrogen 2.967 N/A ARG 659.A N VAL 655.A O no hydrogen 3.005 N/A ARG 659.A NH1 GLU 656.A OE1 no hydrogen 3.538 N/A HIS 660.A N GLU 656.A O no hydrogen 2.865 N/A SER 661.A N GLU 657.A O no hydrogen 2.927 N/A SER 661.A OG GLU 657.A O no hydrogen 3.149 N/A SER 661.A OG ARG 658.A O no hydrogen 2.966 N/A ARG 662.A N ARG 658.A O no hydrogen 2.935 N/A VAL 665.A N ASP 663.A OD1 no hydrogen 3.026 N/A VAL 665.A N ASP 663.A OD2 no hydrogen 3.102 N/A ASN 666.A N ASP 663.A OD2 no hydrogen 3.025 N/A ASN 666.A ND2 HIS 660.A O no hydrogen 2.666 N/A ASN 670.A N ASP 674.A OD2 no hydrogen 2.829 N/A TYR 673.A N ASN 670.A OD1 no hydrogen 3.248 N/A ASP 674.A N ASN 670.A O no hydrogen 2.820 N/A ARG 685.A N ASP 684.A OD1 no hydrogen 2.457 N/A ARG 685.A NE GLN 107.A O no hydrogen 3.242 N/A ARG 685.A NH2 GLN 107.A O no hydrogen 3.330 N/A ASP 691.A N ASP 695.A O no hydrogen 2.948 N/A GLY 694.A N ASP 691.A O no hydrogen 2.632 N/A ASP 695.A N ASP 695.A OD1 no hydrogen 2.353 N/A GLN 698.A NE2 PHE 94.A O no hydrogen 3.145 N/A TRP 699.A N LEU 696.A O no hydrogen 2.915 N/A ARG 700.A N GLY 697.A O no hydrogen 3.358 N/A ARG 700.A NE TYR 689.A O no hydrogen 3.385 N/A ARG 700.A NH1 ASP 686.A OD2 no hydrogen 3.419 N/A ARG 700.A NH2 ASP 686.A OD2 no hydrogen 2.991 N/A ARG 700.A NH2 TYR 689.A O no hydrogen 2.923 N/A GLY 703.A N SER 707.A OG no hydrogen 3.114 N/A SER 707.A N GLY 704.A O no hydrogen 3.238 N/A THR 716.A OG1 GLU 718.A OE1 no hydrogen 2.858 N/A TRP 719.A N THR 716.A O no hydrogen 3.023 N/A ARG 723.A NH1 PRO 728.A O no hydrogen 3.426 N/A MET 726.A N ASN 724.A OD1 no hydrogen 2.613 N/A ARG 727.A N ASN 724.A O no hydrogen 3.089 N/A THR 733.A N PHE 731.A O no hydrogen 2.658 N/A THR 733.A OG1 PHE 731.A O no hydrogen 3.384 N/A TRP 735.A N THR 733.A O no hydrogen 2.693 N/A ARG 740.A N GLU 736.A O no hydrogen 3.229 N/A GLN 741.A N ARG 737.A O no hydrogen 2.936 N/A TYR 742.A N LYS 738.A O no hydrogen 3.010 N/A ALA 743.A N TYR 739.A O no hydrogen 2.816 N/A ARG 744.A N ARG 740.A O no hydrogen 3.300 N/A ARG 744.A N GLN 741.A O no hydrogen 3.142 N/A ARG 744.A NH1 GLN 741.A OE1 no hydrogen 3.023 N/A ARG 744.A NH1 GLN 746.A OE1 no hydrogen 2.515 N/A GLY 745.A N TYR 742.A O no hydrogen 3.240 N/A GLN 746.A N GLN 741.A O no hydrogen 3.212 N/A TYR 754.A N ASP 751.A O no hydrogen 3.102 N/A THR 772.A OG1 PRO 790.A O no hydrogen 2.707 N/A ARG 773.A N PRO 790.A O no hydrogen 2.994 N/A ARG 773.A NE GLY 789.A O no hydrogen 3.211 N/A ARG 773.A NH1 ARG 786.A O no hydrogen 3.395 N/A ARG 773.A NH2 SER 788.A OG no hydrogen 3.287 N/A ARG 773.A NH2 GLY 789.A O no hydrogen 2.868 N/A ASP 775.A N THR 772.A O no hydrogen 3.173 N/A ASP 778.A N ASP 778.A OD1 no hydrogen 2.312 N/A ARG 786.A N GLY 783.A O no hydrogen 3.096 N/A THR 787.A N GLY 783.A O no hydrogen 3.170 N/A THR 787.A OG1 LYS 781.A O no hydrogen 2.329 N/A