Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2jbk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 5.A N ASN 1.A O no hydrogen 3.146 N/A LEU 6.A N MET 2.A O no hydrogen 3.034 N/A ASP 7.A N LYS 3.A O no hydrogen 3.014 N/A GLU 8.A N ALA 4.A O no hydrogen 3.111 N/A LEU 9.A N LEU 6.A O no hydrogen 2.663 N/A LYS 10.A N GLU 339.A OE2 no hydrogen 2.372 N/A LYS 10.A NZ ASP 7.A O no hydrogen 2.832 N/A ASN 13.A N LYS 10.A O no hydrogen 2.890 N/A ASN 13.A ND2 GLU 339.A OE2 no hydrogen 3.165 N/A ILE 14.A N LYS 10.A O no hydrogen 3.261 N/A LYS 15.A N ALA 11.A O no hydrogen 2.987 N/A LYS 15.A NZ GLU 500.A OE2 no hydrogen 3.407 N/A LYS 16.A N GLU 12.A O no hydrogen 2.921 N/A PHE 17.A N ASN 13.A O no hydrogen 2.756 N/A LEU 18.A N ILE 14.A O no hydrogen 2.785 N/A TYR 19.A N LYS 15.A O no hydrogen 2.792 N/A ASN 20.A N LYS 16.A O no hydrogen 2.922 N/A PHE 21.A N PHE 17.A O no hydrogen 2.877 N/A PHE 21.A N LEU 18.A O no hydrogen 3.163 N/A THR 22.A OG1 LEU 18.A O no hydrogen 2.921 N/A THR 22.A OG1 TYR 19.A O no hydrogen 3.269 N/A GLN 23.A NE2 TYR 19.A O no hydrogen 2.653 N/A HIS 26.A N VAL 324.A O no hydrogen 3.238 N/A THR 30.A N LEU 27.A O no hydrogen 3.292 N/A THR 30.A OG1 LEU 27.A O no hydrogen 2.903 N/A GLN 32.A N GLN 32.A OE1 no hydrogen 2.372 N/A ASN 33.A N THR 30.A O no hydrogen 3.156 N/A PHE 34.A N THR 30.A O no hydrogen 3.169 N/A GLN 35.A N GLU 31.A O no hydrogen 2.775 N/A LEU 36.A N GLN 32.A O no hydrogen 3.029 N/A ALA 37.A N ASN 33.A O no hydrogen 3.041 N/A LYS 38.A N PHE 34.A O no hydrogen 2.960 N/A GLN 39.A N GLN 35.A O no hydrogen 2.999 N/A GLN 39.A NE2 ASN 20.A OD1 no hydrogen 3.046 N/A GLN 39.A NE2 GLN 43.A OE1 no hydrogen 2.840 N/A ILE 40.A N LEU 36.A O no hydrogen 2.828 N/A GLN 41.A N ALA 37.A O no hydrogen 3.074 N/A GLN 41.A NE2 VAL 52.A O no hydrogen 2.687 N/A SER 42.A OG LYS 38.A O no hydrogen 3.352 N/A GLN 43.A N GLN 39.A O no hydrogen 3.088 N/A TRP 44.A N ILE 40.A O no hydrogen 2.928 N/A TRP 44.A NE1 HIS 338.A ND1 no hydrogen 3.053 N/A LYS 45.A N GLN 41.A O no hydrogen 3.001 N/A GLU 46.A N SER 42.A O no hydrogen 2.713 N/A PHE 47.A N GLN 43.A O no hydrogen 2.587 N/A GLY 48.A N LYS 45.A O no hydrogen 2.738 N/A LEU 49.A N TRP 44.A O no hydrogen 3.375 N/A ASP 50.A N THR 303.A O no hydrogen 3.092 N/A SER 51.A N THR 303.A O no hydrogen 3.460 N/A GLU 53.A N ILE 301.A O no hydrogen 2.598 N/A LEU 54.A N GLU 53.A OE2 no hydrogen 2.989 N/A ALA 55.A N ASN 299.A O no hydrogen 2.919 N/A HIS 56.A NE2 GLU 220.A OE2 no hydrogen 2.997 N/A TYR 57.A N ILE 297.A O no hydrogen 3.085 N/A TYR 57.A OH GLU 379.A OE2 no hydrogen 3.030 N/A ASP 58.A N ALA 218.A O no hydrogen 2.991 N/A VAL 59.A N THR 295.A O no hydrogen 3.010 N/A LEU 60.A N ASP 210.A OD1 no hydrogen 3.211 N/A LEU 61.A N GLU 293.A O no hydrogen 3.326 N/A SER 62.A OG ASN 292.A OD1 no hydrogen 3.551 N/A TYR 63.A N THR 291.A O no hydrogen 2.912 N/A TYR 63.A OH ALA 28.A O no hydrogen 3.005 N/A THR 67.A OG1 ASN 65.A OD1 no hydrogen 3.226 N/A HIS 68.A N ASN 65.A O no hydrogen 2.849 N/A ASN 70.A ND2 SER 290.A OG no hydrogen 3.401 N/A TYR 71.A N HIS 287.A O no hydrogen 3.217 N/A TYR 71.A OH GLU 81.A OE1 no hydrogen 3.014 N/A TYR 71.A OH GLU 81.A OE2 no hydrogen 2.856 N/A ILE 72.A N THR 85.A OG1 no hydrogen 2.716 N/A SER 73.A N LYS 285.A O no hydrogen 3.107 N/A SER 73.A OG ASN 84.A OD1 no hydrogen 2.716 N/A ILE 74.A N PHE 83.A O no hydrogen 2.939 N/A ILE 75.A N LYS 283.A O no hydrogen 2.730 N/A ASN 76.A N ASN 80.A O no hydrogen 3.079 N/A ASP 78.A N ASN 76.A OD1 no hydrogen 2.642 N/A GLY 79.A N ASN 76.A O no hydrogen 3.019 N/A ASN 80.A N ASN 76.A OD1 no hydrogen 2.903 N/A ILE 82.A N ILE 74.A O no hydrogen 2.932 N/A THR 85.A OG1 ILE 72.A O no hydrogen 3.230 N/A SER 86.A N ASP 245.A OD2 no hydrogen 2.405 N/A TYR 95.A OH GLU 497.A OE1 no hydrogen 2.569 N/A ILE 101.A N ASP 100.A OD2 no hydrogen 3.147 N/A ALA 107.A N GLY 200.A O no hydrogen 3.323 N/A PHE 108.A N SER 62.A OG no hydrogen 2.600 N/A SER 109.A N SER 106.A O no hydrogen 3.333 N/A SER 109.A OG PRO 110.A O no hydrogen 3.031 N/A SER 109.A OG VAL 238.A O no hydrogen 3.500 N/A GLN 111.A NE2 SER 290.A O no hydrogen 2.654 N/A GLY 112.A N ILE 288.A O no hydrogen 2.870 N/A GLY 116.A N VAL 284.A O no hydrogen 3.136 N/A VAL 119.A N ILE 144.A O no hydrogen 2.781 N/A TYR 120.A N VAL 273.A O no hydrogen 2.846 N/A TYR 120.A OH TRP 263.A O no hydrogen 3.276 N/A TYR 123.A N ASP 128.A OD2 no hydrogen 2.843 N/A TYR 123.A OH ASP 177.A OD1 no hydrogen 2.787 N/A ALA 124.A N VAL 121.A O no hydrogen 3.402 N/A ARG 125.A N ASP 128.A OD2 no hydrogen 3.398 N/A ARG 125.A NH2 ASP 128.A OD1 no hydrogen 2.698 N/A GLU 127.A N GLU 127.A OE1 no hydrogen 2.692 N/A PHE 129.A N ARG 125.A O no hydrogen 3.188 N/A PHE 130.A N THR 126.A O no hydrogen 2.857 N/A LYS 131.A N GLU 127.A O no hydrogen 2.523 N/A LEU 132.A N ASP 128.A O no hydrogen 2.557 N/A GLU 133.A N PHE 129.A O no hydrogen 2.912 N/A ARG 134.A N PHE 130.A O no hydrogen 2.593 N/A ARG 134.A NH1 ASP 651.A OD1 no hydrogen 3.251 N/A ARG 134.A NH2 ASP 651.A OD1 no hydrogen 3.313 N/A ARG 134.A NH2 ASP 651.A OD2 no hydrogen 2.964 N/A ASP 135.A N LYS 131.A O no hydrogen 3.120 N/A ILE 138.A N LEU 132.A O no hydrogen 2.999 N/A SER 141.A N ASN 139.A OD1 no hydrogen 2.526 N/A LYS 143.A N CYS 140.A O no hydrogen 2.864 N/A VAL 145.A N GLY 168.A O no hydrogen 3.032 N/A ILE 146.A N VAL 119.A O no hydrogen 3.215 N/A ALA 147.A N ILE 170.A O no hydrogen 2.920 N/A ARG 148.A N ASN 122.A O no hydrogen 2.733 N/A ARG 148.A NE ASN 122.A OD1 no hydrogen 2.871 N/A ARG 148.A NH1 ASP 177.A OD2 no hydrogen 3.045 N/A ARG 148.A NH2 ASN 122.A OD1 no hydrogen 3.130 N/A TYR 149.A N TYR 172.A O no hydrogen 2.772 N/A TYR 149.A OH GLN 198.A O no hydrogen 2.637 N/A LYS 151.A N SER 484.A OG no hydrogen 2.803 N/A VAL 152.A N GLY 150.A O no hydrogen 2.946 N/A PHE 153.A N ASN 635.A OD1 no hydrogen 3.100 N/A ARG 154.A NE GLN 198.A OE1 no hydrogen 3.259 N/A ARG 154.A NH2 GLN 198.A OE1 no hydrogen 3.016 N/A ARG 154.A NH2 TYR 489.A OH no hydrogen 3.048 N/A ASN 156.A N PHE 153.A O no hydrogen 2.944 N/A LYS 157.A NZ TYR 123.A O no hydrogen 2.696 N/A LYS 157.A NZ ARG 148.A O no hydrogen 2.867 N/A LYS 157.A NZ GLY 150.A O no hydrogen 2.825 N/A VAL 158.A N ARG 154.A O no hydrogen 3.385 N/A LYS 159.A N GLY 155.A O no hydrogen 3.029 N/A ASN 160.A N ASN 156.A O no hydrogen 2.869 N/A ASN 160.A ND2 ALA 124.A O no hydrogen 2.946 N/A ALA 161.A N LYS 157.A O no hydrogen 2.849 N/A GLN 162.A N VAL 158.A O no hydrogen 3.134 N/A LEU 163.A N LYS 159.A O no hydrogen 2.842 N/A ALA 164.A N ASN 160.A O no hydrogen 2.894 N/A GLY 165.A N GLN 162.A O no hydrogen 2.874 N/A ALA 166.A N ALA 161.A O no hydrogen 3.109 N/A LYS 167.A N LYS 143.A O no hydrogen 2.738 N/A VAL 169.A N PRO 237.A O no hydrogen 2.984 N/A ILE 170.A N VAL 145.A O no hydrogen 2.848 N/A LEU 171.A N HIS 239.A O no hydrogen 2.776 N/A TYR 172.A N ALA 147.A O no hydrogen 2.968 N/A TYR 172.A OH ASP 174.A OD1 no hydrogen 2.633 N/A SER 173.A N ILE 241.A O no hydrogen 3.378 N/A ALA 176.A N ASP 174.A OD2 no hydrogen 2.660 N/A ASP 177.A N ASP 174.A O no hydrogen 2.584 N/A TYR 178.A N ASP 174.A O no hydrogen 3.076 N/A TYR 178.A OH SER 484.A O no hydrogen 2.839 N/A PHE 179.A N PRO 175.A O no hydrogen 2.757 N/A VAL 183.A N ALA 180.A O no hydrogen 3.319 N/A TYR 186.A N ASN 191.A O no hydrogen 3.068 N/A ASP 188.A N SER 185.A O no hydrogen 2.721 N/A GLY 189.A N SER 185.A O no hydrogen 2.698 N/A ASN 191.A N LYS 184.A O no hydrogen 3.309 N/A ASN 191.A ND2 ALA 180.A O no hydrogen 2.906 N/A GLY 196.A N PRO 193.A O no hydrogen 3.334 N/A VAL 197.A N GLU 89.A OE2 no hydrogen 3.188 N/A GLN 198.A NE2 TYR 178.A OH no hydrogen 3.384 N/A ARG 199.A N HIS 490.A O no hydrogen 2.834 N/A ARG 199.A NE VAL 102.A O no hydrogen 3.381 N/A ARG 199.A NH1 GLU 89.A OE1 no hydrogen 2.604 N/A ARG 199.A NH2 GLU 89.A OE1 no hydrogen 3.123 N/A ARG 199.A NH2 VAL 102.A O no hydrogen 2.487 N/A LEU 203.A N ASN 201.A OD1 no hydrogen 3.016 N/A ASN 204.A N GLY 232.A O no hydrogen 3.134 N/A ASN 204.A ND2 GLY 155.A O no hydrogen 2.714 N/A ALA 208.A N LEU 205.A O no hydrogen 3.132 N/A ASP 210.A N GLU 375.A OE2 no hydrogen 3.020 N/A LEU 212.A N ASP 210.A OD1 no hydrogen 3.220 N/A THR 213.A N ASP 210.A O no hydrogen 3.255 N/A THR 213.A OG1 ASP 210.A OD2 no hydrogen 2.390 N/A THR 213.A OG1 TYR 216.A O no hydrogen 3.427 N/A THR 213.A OG1 GLU 375.A OE1 no hydrogen 3.487 N/A GLY 215.A N GLU 378.A OE1 no hydrogen 2.891 N/A ALA 222.A N ASN 219.A O no hydrogen 3.209 N/A ARG 224.A NH2 ASP 58.A O no hydrogen 2.822 N/A ARG 224.A NH2 ASN 219.A O no hydrogen 3.232 N/A ARG 225.A N LEU 212.A O no hydrogen 3.238 N/A ARG 225.A NH1 GLU 229.A O no hydrogen 2.677 N/A GLY 226.A N GLU 229.A OE2 no hydrogen 3.044 N/A GLU 229.A N GLY 226.A O no hydrogen 2.588 N/A ALA 230.A N ILE 227.A O no hydrogen 2.847 N/A VAL 231.A N PRO 211.A O no hydrogen 2.899 N/A SER 235.A N GLN 162.A OE1 no hydrogen 2.529 N/A SER 235.A OG GLN 162.A OE1 no hydrogen 3.494 N/A VAL 238.A N SER 109.A OG no hydrogen 2.770 N/A HIS 239.A N VAL 169.A O no hydrogen 3.105 N/A ILE 241.A N LEU 171.A O no hydrogen 2.761 N/A TYR 243.A OH LEU 192.A O no hydrogen 2.382 N/A TYR 244.A N GLY 194.A O no hydrogen 3.253 N/A ALA 246.A N GLY 242.A O no hydrogen 3.037 N/A GLN 247.A N TYR 243.A O no hydrogen 2.925 N/A LYS 248.A N TYR 244.A O no hydrogen 3.285 N/A LEU 249.A N ASP 245.A O no hydrogen 3.073 N/A LEU 249.A N ALA 246.A O no hydrogen 2.408 N/A LEU 250.A N ALA 246.A O no hydrogen 2.838 N/A GLU 251.A N GLN 247.A O no hydrogen 2.800 N/A MET 253.A N LEU 250.A O no hydrogen 3.101 N/A GLY 254.A N GLY 276.A O no hydrogen 2.779 N/A SER 262.A N ASP 260.A OD1 no hydrogen 2.522 N/A SER 262.A OG ASP 260.A OD1 no hydrogen 2.747 N/A SER 262.A OG ASP 260.A OD2 no hydrogen 3.462 N/A TRP 263.A N ASP 260.A O no hydrogen 2.785 N/A ARG 264.A N SER 261.A O no hydrogen 3.056 N/A SER 266.A N ASP 174.A OD2 no hydrogen 3.297 N/A LEU 267.A N TYR 271.A OH no hydrogen 2.667 N/A VAL 269.A N LEU 267.A O no hydrogen 2.787 N/A TYR 271.A OH ASP 174.A OD1 no hydrogen 2.499 N/A ASN 272.A ND2 MET 253.A O no hydrogen 2.679 N/A THR 278.A N LYS 252.A O no hydrogen 2.729 N/A GLN 282.A N PHE 279.A O no hydrogen 2.230 N/A LYS 283.A N ILE 75.A O no hydrogen 3.059 N/A VAL 284.A N GLY 116.A O no hydrogen 3.000 N/A LYS 285.A N SER 73.A O no hydrogen 3.156 N/A MET 286.A N PRO 114.A O no hydrogen 2.945 N/A ILE 288.A N GLY 112.A O no hydrogen 2.759 N/A HIS 289.A N ASN 70.A OD1 no hydrogen 2.483 N/A HIS 289.A ND1 HIS 68.A O no hydrogen 3.301 N/A THR 291.A N TYR 63.A O no hydrogen 2.957 N/A THR 291.A OG1 GLU 293.A OE2 no hydrogen 3.332 N/A GLU 293.A N LEU 61.A O no hydrogen 2.972 N/A THR 295.A N VAL 59.A O no hydrogen 2.733 N/A THR 295.A OG1 GLU 293.A O no hydrogen 2.829 N/A ARG 296.A NE ASP 58.A OD1 no hydrogen 2.644 N/A ARG 296.A NH2 ASP 58.A OD1 no hydrogen 3.171 N/A ARG 296.A NH2 ASP 58.A OD2 no hydrogen 2.739 N/A ILE 297.A N TYR 57.A O no hydrogen 2.929 N/A TYR 298.A N ASP 364.A OD2 no hydrogen 2.375 N/A ASN 299.A N ALA 55.A O no hydrogen 2.701 N/A ASN 299.A ND2 GLY 372.A O no hydrogen 2.992 N/A VAL 300.A N SER 362.A O no hydrogen 2.882 N/A ILE 301.A N GLU 53.A O no hydrogen 2.708 N/A GLY 302.A N PHE 360.A O no hydrogen 2.717 N/A THR 303.A N SER 51.A O no hydrogen 2.725 N/A LEU 304.A N ILE 358.A O no hydrogen 2.911 N/A ARG 305.A N ASP 50.A OD2 no hydrogen 2.760 N/A GLY 306.A N THR 357.A OG1 no hydrogen 3.029 N/A ALA 307.A N PRO 354.A O no hydrogen 2.998 N/A GLU 309.A N ARG 355.A O no hydrogen 2.735 N/A ARG 312.A N GLU 309.A O no hydrogen 2.976 N/A ARG 312.A NH1 ASP 311.A O no hydrogen 3.237 N/A ARG 312.A NH2 ASP 603.A OD1 no hydrogen 2.172 N/A TYR 313.A N ARG 387.A O no hydrogen 2.884 N/A VAL 314.A N THR 357.A O no hydrogen 2.845 N/A ILE 315.A N ALA 390.A O no hydrogen 2.999 N/A LEU 316.A N LEU 359.A O no hydrogen 2.933 N/A GLY 317.A N ILE 392.A O no hydrogen 3.048 N/A GLY 318.A N ALA 361.A O no hydrogen 3.265 N/A HIS 319.A ND1 ASP 321.A O no hydrogen 3.065 N/A HIS 319.A ND1 ASP 321.A OD1 no hydrogen 2.957 N/A HIS 319.A NE2 ASP 329.A OD1 no hydrogen 3.157 N/A HIS 319.A NE2 ASP 395.A OD2 no hydrogen 2.528 N/A ARG 320.A N TRP 363.A O no hydrogen 2.752 N/A ARG 320.A NE ASN 33.A OD1 no hydrogen 3.405 N/A ARG 320.A NH1 TYR 298.A O no hydrogen 3.047 N/A ARG 320.A NH1 SER 362.A OG no hydrogen 3.095 N/A ARG 320.A NH2 TYR 298.A O no hydrogen 2.296 N/A ASP 321.A N ASP 321.A OD1 no hydrogen 2.582 N/A SER 322.A N HIS 26.A O no hydrogen 3.061 N/A SER 322.A OG VAL 324.A O no hydrogen 3.099 N/A GLY 327.A N GLU 494.A O no hydrogen 3.371 N/A ASP 329.A N GLU 494.A OE2 no hydrogen 2.495 N/A GLN 331.A N GLY 326.A O no hydrogen 3.122 N/A GLN 331.A NE2 ARG 320.A O no hydrogen 2.716 N/A SER 332.A N ILE 328.A O no hydrogen 3.021 N/A SER 332.A OG ILE 328.A O no hydrogen 3.214 N/A SER 332.A OG SER 397.A OG no hydrogen 3.411 N/A GLY 333.A N PRO 330.A O no hydrogen 2.743 N/A ALA 334.A N PRO 330.A O no hydrogen 3.199 N/A ALA 335.A N GLN 331.A O no hydrogen 2.967 N/A VAL 337.A N GLY 333.A O no hydrogen 2.839 N/A HIS 338.A N ALA 334.A O no hydrogen 2.911 N/A GLU 339.A N ALA 335.A O no hydrogen 3.107 N/A ILE 340.A N VAL 336.A O no hydrogen 2.879 N/A VAL 341.A N VAL 337.A O no hydrogen 2.712 N/A ARG 342.A N HIS 338.A O no hydrogen 3.043 N/A ARG 342.A NE GLU 339.A OE1 no hydrogen 2.891 N/A ARG 342.A NH1 GLU 8.A O no hydrogen 2.911 N/A ARG 342.A NH1 GLU 8.A OE2 no hydrogen 2.878 N/A ARG 342.A NH1 GLU 339.A OE1 no hydrogen 3.494 N/A ARG 342.A NH1 GLU 339.A OE2 no hydrogen 2.984 N/A ARG 342.A NH2 GLU 8.A OE2 no hydrogen 2.779 N/A SER 343.A N GLU 339.A O no hydrogen 2.896 N/A SER 343.A OG PHE 5.A O no hydrogen 3.209 N/A PHE 344.A N ILE 340.A O no hydrogen 2.998 N/A GLY 345.A N VAL 341.A O no hydrogen 2.851 N/A THR 346.A N ARG 342.A O no hydrogen 2.845 N/A THR 346.A N SER 343.A O no hydrogen 3.134 N/A THR 346.A OG1 ARG 342.A O no hydrogen 3.079 N/A LEU 347.A N SER 343.A O no hydrogen 3.289 N/A LYS 348.A N PHE 344.A O no hydrogen 2.797 N/A LYS 348.A NZ GLY 48.A O no hydrogen 2.993 N/A LYS 348.A NZ ASP 50.A OD1 no hydrogen 3.339 N/A LYS 349.A N GLY 345.A O no hydrogen 3.029 N/A LYS 349.A NZ GLU 46.A O no hydrogen 2.837 N/A GLU 350.A N THR 346.A O no hydrogen 2.925 N/A GLY 351.A N LYS 348.A O no hydrogen 2.538 N/A TRP 352.A N LEU 347.A O no hydrogen 2.892 N/A ARG 353.A NH1 ASP 50.A OD2 no hydrogen 3.383 N/A ARG 353.A NH1 ARG 305.A O no hydrogen 2.679 N/A ARG 353.A NH2 ASP 50.A OD1 no hydrogen 2.451 N/A ARG 353.A NH2 ASP 50.A OD2 no hydrogen 3.426 N/A ARG 355.A N ASN 526.A OD1 no hydrogen 3.129 N/A ARG 355.A NE GLU 309.A OE2 no hydrogen 2.508 N/A ARG 356.A N ALA 525.A O no hydrogen 2.829 N/A ARG 356.A NH1 SER 527.A O no hydrogen 3.183 N/A ARG 356.A NH2 SER 527.A O no hydrogen 3.053 N/A THR 357.A N ARG 312.A O no hydrogen 2.873 N/A THR 357.A OG1 PRO 310.A O no hydrogen 2.635 N/A ILE 358.A N LEU 304.A O no hydrogen 2.884 N/A LEU 359.A N VAL 314.A O no hydrogen 2.660 N/A PHE 360.A N GLY 302.A O no hydrogen 2.904 N/A ALA 361.A N LEU 316.A O no hydrogen 3.240 N/A SER 362.A N VAL 300.A O no hydrogen 2.808 N/A TRP 363.A N GLY 318.A O no hydrogen 2.672 N/A TRP 363.A NE1 TYR 391.A OH no hydrogen 3.141 N/A ASP 364.A N ASN 299.A OD1 no hydrogen 2.848 N/A ALA 365.A N ASP 364.A OD1 no hydrogen 2.600 N/A GLU 366.A N ASP 321.A OD1 no hydrogen 3.247 N/A GLU 367.A N ASP 321.A OD2 no hydrogen 3.357 N/A GLY 369.A N GLU 366.A O no hydrogen 3.065 N/A LEU 370.A N GLU 366.A O no hydrogen 3.039 N/A SER 373.A OG LEU 370.A O no hydrogen 3.377 N/A SER 373.A OG ASP 462.A OD1 no hydrogen 2.599 N/A THR 374.A N LEU 370.A O no hydrogen 3.345 N/A THR 374.A OG1 LEU 370.A O no hydrogen 2.635 N/A GLU 375.A N LEU 371.A O no hydrogen 3.229 N/A ALA 377.A N SER 373.A O no hydrogen 3.045 N/A GLU 378.A N THR 374.A O no hydrogen 2.875 N/A GLU 379.A N GLU 375.A O no hydrogen 2.981 N/A GLU 379.A N TRP 376.A O no hydrogen 3.188 N/A ASN 380.A N TRP 376.A O no hydrogen 3.122 N/A ASN 380.A N ALA 377.A O no hydrogen 3.108 N/A ASN 380.A ND2 TRP 376.A O no hydrogen 2.883 N/A LEU 384.A N ASN 380.A O no hydrogen 2.911 N/A GLN 385.A N SER 381.A O no hydrogen 2.819 N/A GLU 386.A N ARG 382.A O no hydrogen 3.286 N/A ARG 387.A N LEU 384.A O no hydrogen 3.376 N/A ARG 387.A NH1 TYR 313.A OH no hydrogen 2.924 N/A GLY 388.A N LEU 384.A O no hydrogen 2.808 N/A VAL 389.A N TYR 313.A O no hydrogen 2.760 N/A TYR 391.A N ALA 473.A O no hydrogen 2.979 N/A TYR 391.A OH ASN 393.A OD1 no hydrogen 2.780 N/A ILE 392.A N ILE 315.A O no hydrogen 2.840 N/A ASN 393.A N GLY 475.A O no hydrogen 2.961 N/A ASN 393.A ND2 ASN 461.A OD1 no hydrogen 2.920 N/A SER 396.A OG ILE 328.A O no hydrogen 3.350 N/A SER 396.A OG ASP 395.A OD1 no hydrogen 3.519 N/A SER 397.A N SER 332.A OG no hydrogen 3.017 N/A SER 397.A OG SER 332.A O no hydrogen 2.478 N/A SER 397.A OG SER 332.A OG no hydrogen 3.411 N/A GLU 399.A N TYR 479.A O no hydrogen 2.617 N/A ASN 401.A ND2 TYR 503.A O no hydrogen 3.067 N/A TYR 402.A N THR 480.A O no hydrogen 2.976 N/A THR 403.A N THR 480.A O no hydrogen 3.459 N/A ARG 405.A NH1 GLU 399.A OE2 no hydrogen 3.165 N/A ASP 407.A N ARG 476.A O no hydrogen 3.162 N/A CYS 408.A N SER 455.A O no hydrogen 3.177 N/A CYS 408.A SG THR 409.A O no hydrogen 3.804 N/A THR 409.A N SER 474.A O no hydrogen 3.172 N/A THR 409.A OG1 GLU 609.A OE1 no hydrogen 2.326 N/A MET 412.A N THR 409.A O no hydrogen 2.879 N/A TYR 413.A N PRO 410.A O no hydrogen 3.146 N/A SER 414.A OG ASP 536.A OD2 no hydrogen 3.188 N/A VAL 416.A N MET 412.A O no hydrogen 2.847 N/A HIS 417.A N TYR 413.A O no hydrogen 2.909 N/A ASN 418.A N SER 414.A O no hydrogen 2.878 N/A LEU 419.A N LEU 415.A O no hydrogen 2.897 N/A THR 420.A N VAL 416.A O no hydrogen 3.056 N/A THR 420.A OG1 VAL 416.A O no hydrogen 3.188 N/A THR 420.A OG1 HIS 417.A O no hydrogen 3.313 N/A LYS 421.A N HIS 417.A O no hydrogen 3.173 N/A GLU 422.A N LEU 419.A O no hydrogen 3.011 N/A LEU 423.A N THR 420.A O no hydrogen 3.257 N/A SER 425.A N LYS 433.A O no hydrogen 3.240 N/A SER 425.A OG SER 438.A OG no hydrogen 2.768 N/A ASP 427.A N SER 425.A OG no hydrogen 2.980 N/A GLY 429.A N GLU 431.A OE1 no hydrogen 2.993 N/A PHE 430.A N ASP 427.A O no hydrogen 2.923 N/A LYS 433.A N PHE 430.A O no hydrogen 2.530 N/A LEU 435.A N LEU 423.A O no hydrogen 2.554 N/A TYR 436.A N THR 420.A O no hydrogen 2.965 N/A TYR 436.A OH GLY 450.A O no hydrogen 3.097 N/A GLU 437.A N SER 434.A OG no hydrogen 2.863 N/A SER 438.A N SER 434.A O no hydrogen 2.979 N/A SER 438.A OG SER 434.A O no hydrogen 3.342 N/A SER 438.A OG LEU 435.A O no hydrogen 3.484 N/A TRP 439.A N LEU 435.A O no hydrogen 2.999 N/A THR 440.A N TYR 436.A O no hydrogen 2.710 N/A THR 440.A OG1 TYR 436.A O no hydrogen 2.522 N/A LYS 441.A N GLU 437.A O no hydrogen 2.832 N/A LYS 442.A N SER 438.A O no hydrogen 2.950 N/A LYS 442.A NZ TYR 402.A O no hydrogen 2.973 N/A LYS 442.A NZ ASP 427.A OD2 no hydrogen 2.547 N/A SER 445.A N MET 451.A O no hydrogen 2.614 N/A PHE 448.A N SER 445.A O no hydrogen 3.295 N/A PHE 448.A N SER 445.A OG no hydrogen 2.712 N/A MET 451.A N SER 449.A O no hydrogen 2.885 N/A ARG 453.A N SER 443.A O no hydrogen 2.848 N/A SER 455.A N VAL 406.A O no hydrogen 3.021 N/A SER 459.A N LYS 636.A O no hydrogen 2.885 N/A SER 459.A OG GLU 464.A OE2 no hydrogen 2.423 N/A GLY 460.A N SER 459.A OG no hydrogen 2.527 N/A ASN 461.A ND2 ASP 395.A OD2 no hydrogen 2.996 N/A ASP 462.A N ASN 461.A OD1 no hydrogen 2.717 N/A GLU 464.A N ASN 461.A O no hydrogen 3.121 N/A PHE 467.A N PHE 463.A O no hydrogen 3.283 N/A GLN 468.A N GLU 464.A O no hydrogen 2.982 N/A GLN 468.A NE2 LEU 457.A O no hydrogen 3.261 N/A GLN 468.A NE2 GLY 458.A O no hydrogen 2.724 N/A ARG 469.A N VAL 465.A O no hydrogen 2.992 N/A ARG 469.A NH1 GLU 378.A OE1 no hydrogen 2.861 N/A ARG 469.A NH2 GLY 207.A O no hydrogen 3.010 N/A ARG 469.A NH2 GLU 378.A OE1 no hydrogen 2.753 N/A LEU 470.A N VAL 465.A O no hydrogen 3.118 N/A GLY 471.A N PHE 467.A O no hydrogen 3.262 N/A ILE 472.A N PHE 466.A O no hydrogen 2.878 N/A SER 474.A OG ILE 472.A O no hydrogen 3.206 N/A GLY 475.A N TYR 391.A O no hydrogen 3.017 N/A ARG 476.A N ASP 407.A O no hydrogen 2.869 N/A ARG 476.A NH1 ASP 407.A OD2 no hydrogen 3.086 N/A ARG 478.A N ARG 405.A O no hydrogen 3.057 N/A ARG 478.A NH1 ARG 405.A O no hydrogen 3.525 N/A ARG 478.A NH1 ASP 407.A OD1 no hydrogen 3.500 N/A ARG 478.A NH1 ASP 407.A OD2 no hydrogen 3.494 N/A TYR 479.A N SER 397.A O no hydrogen 2.499 N/A TYR 479.A OH ASP 427.A OD1 no hydrogen 2.603 N/A THR 480.A N THR 403.A O no hydrogen 2.745 N/A THR 480.A OG1 GLU 399.A OE2 no hydrogen 2.991 N/A TYR 489.A N TYR 486.A O no hydrogen 3.231 N/A HIS 490.A N GLU 494.A OE1 no hydrogen 2.735 N/A HIS 490.A ND1 ARG 199.A O no hydrogen 2.818 N/A HIS 490.A NE2 ASP 329.A OD2 no hydrogen 2.677 N/A SER 491.A OG LEU 488.A O no hydrogen 3.006 N/A VAL 492.A N GLU 89.A OE1 no hydrogen 3.031 N/A VAL 492.A N GLU 89.A OE2 no hydrogen 3.152 N/A TYR 493.A N SER 491.A OG no hydrogen 3.283 N/A TYR 493.A OH PRO 90.A O no hydrogen 2.590 N/A GLU 494.A N SER 491.A O no hydrogen 3.170 N/A THR 495.A OG1 TYR 186.A OH no hydrogen 2.849 N/A THR 495.A OG1 GLU 497.A OE1 no hydrogen 3.394 N/A LEU 498.A N THR 495.A OG1 no hydrogen 3.120 N/A VAL 499.A N THR 495.A O no hydrogen 3.300 N/A VAL 499.A N TYR 496.A O no hydrogen 2.990 N/A GLU 500.A N TYR 496.A O no hydrogen 3.037 N/A LYS 501.A N GLU 497.A O no hydrogen 3.015 N/A TYR 503.A N VAL 499.A O no hydrogen 3.095 N/A ASP 504.A N VAL 499.A O no hydrogen 3.249 N/A PHE 507.A N ASP 504.A O no hydrogen 3.036 N/A LYS 508.A NZ PRO 426.A O no hydrogen 2.881 N/A TYR 509.A N ASP 504.A OD1 no hydrogen 3.325 N/A HIS 510.A N ASP 504.A OD2 no hydrogen 2.902 N/A HIS 510.A ND1 ASP 504.A OD2 no hydrogen 2.846 N/A LEU 511.A N PHE 507.A O no hydrogen 3.215 N/A THR 512.A N LYS 508.A O no hydrogen 3.067 N/A THR 512.A OG1 LYS 508.A O no hydrogen 3.425 N/A VAL 513.A N TYR 509.A O no hydrogen 3.024 N/A ALA 514.A N HIS 510.A O no hydrogen 2.702 N/A GLN 515.A N THR 512.A O no hydrogen 2.603 N/A VAL 516.A N THR 512.A O no hydrogen 2.911 N/A ARG 517.A N VAL 513.A O no hydrogen 2.832 N/A ARG 517.A NE ALA 477.A O no hydrogen 2.960 N/A ARG 517.A NH1 ASP 395.A O no hydrogen 2.949 N/A ARG 517.A NH2 ASP 395.A O no hydrogen 3.090 N/A ARG 517.A NH2 SER 396.A O no hydrogen 2.843 N/A ARG 517.A NH2 ALA 477.A O no hydrogen 2.752 N/A GLY 518.A N ALA 514.A O no hydrogen 3.213 N/A GLY 519.A N GLN 515.A O no hydrogen 2.733 N/A MET 520.A N VAL 516.A O no hydrogen 2.938 N/A VAL 521.A N ARG 517.A O no hydrogen 3.057 N/A PHE 522.A N GLY 518.A O no hydrogen 2.773 N/A GLU 523.A N GLY 519.A O no hydrogen 2.914 N/A LEU 524.A N MET 520.A O no hydrogen 3.113 N/A ALA 525.A N VAL 521.A O no hydrogen 2.743 N/A ASN 526.A N GLU 523.A O no hydrogen 3.027 N/A SER 527.A N GLU 523.A O no hydrogen 2.781 N/A LEU 530.A N ASN 602.A OD1 no hydrogen 3.145 N/A CYS 534.A SG ALA 580.A O no hydrogen 3.806 N/A ARG 535.A N ASP 533.A OD1 no hydrogen 2.928 N/A ARG 535.A NE ASP 533.A OD1 no hydrogen 3.207 N/A ARG 535.A NH2 ASP 533.A OD2 no hydrogen 2.985 N/A ASP 536.A N ASP 533.A O no hydrogen 2.909 N/A TYR 537.A OH GLU 609.A OE2 no hydrogen 2.528 N/A VAL 539.A N ARG 535.A O no hydrogen 2.908 N/A VAL 540.A N ASP 536.A O no hydrogen 3.144 N/A LEU 541.A N TYR 537.A O no hydrogen 2.876 N/A ARG 542.A N VAL 539.A O no hydrogen 2.820 N/A ARG 542.A NH1 ASP 546.A OD1 no hydrogen 2.976 N/A ARG 542.A NH1 ASP 546.A OD2 no hydrogen 3.370 N/A LYS 543.A N VAL 539.A O no hydrogen 3.397 N/A TYR 544.A N VAL 540.A O no hydrogen 2.833 N/A TYR 544.A OH TYR 629.A OH no hydrogen 2.668 N/A ALA 545.A N LEU 541.A O no hydrogen 3.026 N/A ASP 546.A N ARG 542.A O no hydrogen 3.011 N/A LYS 547.A N LYS 543.A O no hydrogen 2.845 N/A ILE 548.A N TYR 544.A O no hydrogen 3.160 N/A TYR 549.A N ALA 545.A O no hydrogen 3.118 N/A SER 550.A N ASP 546.A O no hydrogen 2.943 N/A SER 550.A OG ASP 546.A O no hydrogen 3.156 N/A ILE 551.A N LYS 547.A O no hydrogen 3.023 N/A SER 552.A N ILE 548.A O no hydrogen 3.185 N/A SER 552.A N TYR 549.A O no hydrogen 2.968 N/A MET 553.A N TYR 549.A O no hydrogen 3.197 N/A HIS 555.A N SER 552.A O no hydrogen 2.647 N/A MET 559.A N HIS 555.A O no hydrogen 2.874 N/A LYS 560.A N PRO 556.A O no hydrogen 3.001 N/A LYS 560.A N GLN 557.A O no hydrogen 2.935 N/A THR 561.A N GLN 557.A O no hydrogen 2.923 N/A THR 561.A OG1 GLN 557.A O no hydrogen 3.079 N/A TYR 562.A N GLU 558.A O no hydrogen 2.953 N/A SER 563.A N LYS 560.A O no hydrogen 3.197 N/A VAL 564.A N MET 559.A O no hydrogen 3.057 N/A SER 565.A OG ASP 567.A OD1 no hydrogen 2.849 N/A ASP 567.A N SER 565.A OG no hydrogen 3.233 N/A PHE 570.A N PHE 566.A O no hydrogen 3.231 N/A SER 571.A N ASP 567.A O no hydrogen 2.647 N/A ALA 572.A N SER 568.A O no hydrogen 2.956 N/A VAL 573.A N LEU 569.A O no hydrogen 2.737 N/A LYS 574.A N PHE 570.A O no hydrogen 2.799 N/A LYS 574.A NZ GLU 578.A OE1 no hydrogen 3.211 N/A ASN 575.A N SER 571.A O no hydrogen 3.087 N/A ASN 575.A ND2 GLN 677.A OE1 no hydrogen 2.754 N/A PHE 576.A N ALA 572.A O no hydrogen 3.001 N/A THR 577.A N VAL 573.A O no hydrogen 3.141 N/A THR 577.A OG1 VAL 573.A O no hydrogen 3.245 N/A GLU 578.A N LYS 574.A O no hydrogen 2.987 N/A ILE 579.A N ASN 575.A O no hydrogen 2.978 N/A ALA 580.A N PHE 576.A O no hydrogen 3.004 N/A SER 581.A N THR 577.A O no hydrogen 3.041 N/A LYS 582.A N GLU 578.A O no hydrogen 3.305 N/A PHE 583.A N ILE 579.A O no hydrogen 2.729 N/A SER 584.A N ALA 580.A O no hydrogen 2.876 N/A SER 584.A OG ALA 580.A O no hydrogen 2.534 N/A SER 584.A OG SER 581.A O no hydrogen 2.881 N/A GLU 585.A N SER 581.A O no hydrogen 2.811 N/A ARG 586.A N LYS 582.A O no hydrogen 3.218 N/A ARG 586.A N PHE 583.A O no hydrogen 2.877 N/A ARG 586.A NH2 LEU 683.A O no hydrogen 3.103 N/A LEU 587.A N PHE 583.A O no hydrogen 2.957 N/A GLN 588.A N SER 584.A O no hydrogen 2.866 N/A ASP 589.A N GLU 585.A O no hydrogen 3.184 N/A ASN 594.A N ASP 591.A O no hydrogen 2.757 N/A LEU 598.A N ASN 594.A O no hydrogen 2.979 N/A ARG 599.A N PRO 595.A O no hydrogen 2.703 N/A ARG 599.A NE GLU 309.A OE1 no hydrogen 3.304 N/A ARG 599.A NH1 ASP 311.A OD2 no hydrogen 3.471 N/A ARG 599.A NH2 GLU 309.A OE1 no hydrogen 3.507 N/A ARG 599.A NH2 ASP 311.A OD1 no hydrogen 2.514 N/A ARG 599.A NH2 ASP 311.A OD2 no hydrogen 3.314 N/A MET 600.A N ILE 596.A O no hydrogen 3.048 N/A MET 601.A N VAL 597.A O no hydrogen 3.270 N/A MET 601.A N LEU 598.A O no hydrogen 2.723 N/A ASN 602.A N LEU 598.A O no hydrogen 3.111 N/A ASN 602.A ND2 ILE 528.A O no hydrogen 3.558 N/A ASP 603.A N ARG 599.A O no hydrogen 3.106 N/A GLN 604.A N MET 600.A O no hydrogen 3.210 N/A GLN 604.A NE2 THR 682.A O no hydrogen 2.921 N/A GLN 604.A NE2 LEU 683.A O no hydrogen 3.568 N/A GLN 604.A NE2 SER 684.A O no hydrogen 3.059 N/A LEU 605.A N MET 601.A O no hydrogen 2.785 N/A MET 606.A N ASN 602.A O no hydrogen 2.541 N/A PHE 607.A N ASP 603.A O no hydrogen 2.804 N/A LEU 608.A N LEU 605.A O no hydrogen 3.143 N/A ARG 610.A NE GLN 385.A O no hydrogen 2.887 N/A ARG 610.A NH1 GLY 388.A O no hydrogen 3.549 N/A ARG 610.A NH1 GLY 471.A O no hydrogen 3.381 N/A ARG 610.A NH2 GLN 385.A O no hydrogen 2.713 N/A ARG 610.A NH2 GLY 388.A O no hydrogen 3.104 N/A ALA 611.A N LEU 608.A O no hydrogen 2.937 N/A PHE 612.A N GLU 609.A O no hydrogen 3.034 N/A ILE 613.A N ARG 610.A O no hydrogen 3.331 N/A ASP 614.A N ARG 625.A O no hydrogen 2.924 N/A LEU 616.A N ASP 614.A OD1 no hydrogen 3.138 N/A GLY 617.A N ASP 614.A O no hydrogen 2.970 N/A LEU 618.A N TYR 624.A O no hydrogen 2.991 N/A ARG 621.A N LEU 618.A O no hydrogen 3.107 N/A ARG 621.A NH1 PRO 631.A O no hydrogen 3.205 N/A TYR 624.A N ARG 621.A O no hydrogen 3.116 N/A TYR 624.A OH GLU 464.A OE2 no hydrogen 2.736 N/A ARG 625.A N GLN 468.A O no hydrogen 2.857 N/A ARG 625.A NE ARG 469.A O no hydrogen 2.911 N/A ARG 625.A NH2 ARG 469.A O no hydrogen 3.005 N/A HIS 626.A N GLN 468.A O no hydrogen 3.302 N/A HIS 626.A NE2 GLU 609.A OE2 no hydrogen 2.701 N/A VAL 627.A N PHE 612.A O no hydrogen 3.006 N/A ILE 628.A N HIS 626.A ND1 no hydrogen 3.145 N/A TYR 629.A N HIS 626.A ND1 no hydrogen 3.344 N/A TYR 629.A OH TYR 544.A OH no hydrogen 2.668 N/A ALA 630.A N GLU 640.A O no hydrogen 3.161 N/A SER 632.A N ALA 638.A O no hydrogen 2.709 N/A SER 633.A OG ASP 647.A OD2 no hydrogen 3.257 N/A HIS 634.A N SER 632.A OG no hydrogen 2.950 N/A ASN 635.A N SER 632.A O no hydrogen 3.236 N/A LYS 636.A N ASN 156.A OD1 no hydrogen 3.089 N/A TYR 637.A N ASN 635.A OD1 no hydrogen 3.347 N/A ALA 638.A N ASN 635.A O no hydrogen 2.939 N/A GLU 640.A N ALA 630.A O no hydrogen 2.919 N/A PHE 642.A N ILE 628.A O no hydrogen 2.839 N/A ILE 645.A N PHE 642.A O no hydrogen 3.043 N/A TYR 646.A N PHE 642.A O no hydrogen 2.932 N/A ASP 647.A N PRO 643.A O no hydrogen 2.918 N/A ALA 648.A N ILE 645.A O no hydrogen 3.044 N/A LEU 649.A N ILE 645.A O no hydrogen 2.773 N/A PHE 650.A N TYR 646.A O no hydrogen 2.616 N/A SER 654.A N ASP 651.A O no hydrogen 3.255 N/A SER 654.A OG ASP 651.A OD1 no hydrogen 2.620 N/A SER 654.A OG ASP 651.A OD2 no hydrogen 3.054 N/A LYS 655.A N ILE 652.A O no hydrogen 2.912 N/A LYS 660.A N ASP 657.A OD1 no hydrogen 3.128 N/A ALA 661.A N ASP 657.A O no hydrogen 3.020 N/A TRP 662.A N PRO 658.A O no hydrogen 2.896 N/A GLY 663.A N SER 659.A O no hydrogen 2.985 N/A GLU 664.A N LYS 660.A O no hydrogen 3.079 N/A VAL 665.A N ALA 661.A O no hydrogen 3.012 N/A LYS 666.A N TRP 662.A O no hydrogen 3.024 N/A LYS 666.A NZ TYR 562.A O no hydrogen 3.486 N/A ARG 667.A N GLY 663.A O no hydrogen 2.960 N/A ARG 667.A NE GLU 664.A OE1 no hydrogen 2.828 N/A ARG 667.A NH2 GLU 664.A OE1 no hydrogen 3.250 N/A ARG 667.A NH2 GLU 664.A OE2 no hydrogen 2.584 N/A GLN 668.A N GLU 664.A O no hydrogen 2.868 N/A GLN 668.A NE2 GLU 664.A OE2 no hydrogen 3.239 N/A ILE 669.A N VAL 665.A O no hydrogen 3.008 N/A TYR 670.A N LYS 666.A O no hydrogen 3.039 N/A TYR 670.A N ARG 667.A O no hydrogen 2.915 N/A VAL 671.A N ARG 667.A O no hydrogen 3.103 N/A ALA 672.A N GLN 668.A O no hydrogen 3.108 N/A ALA 673.A N ILE 669.A O no hydrogen 2.941 N/A PHE 674.A N TYR 670.A O no hydrogen 3.248 N/A THR 675.A N VAL 671.A O no hydrogen 3.155 N/A THR 675.A OG1 VAL 671.A O no hydrogen 3.271 N/A VAL 676.A N ALA 672.A O no hydrogen 2.936 N/A VAL 676.A N ALA 673.A O no hydrogen 3.120 N/A GLN 677.A N ALA 673.A O no hydrogen 3.201 N/A GLN 677.A NE2 GLU 681.A OE2 no hydrogen 2.805 N/A ALA 678.A N PHE 674.A O no hydrogen 2.813 N/A ALA 679.A N THR 675.A O no hydrogen 3.014 N/A ALA 680.A N VAL 676.A O no hydrogen 2.993 N/A GLU 681.A N GLN 677.A O no hydrogen 2.969 N/A THR 682.A N ALA 679.A O no hydrogen 2.630 N/A THR 682.A OG1 ALA 679.A O no hydrogen 2.853 N/A LEU 683.A N ALA 680.A O no hydrogen 2.733 N/A