Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3dlb_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 5.A N ALA 308.A O no hydrogen 3.113 N/A GLU 6.A N GLU 6.A OE1 no hydrogen 2.587 N/A VAL 7.A N ALA 306.A O no hydrogen 2.705 N/A PHE 8.A N TYR 577.A O no hydrogen 2.714 N/A LEU 9.A N VAL 304.A O no hydrogen 2.998 N/A ASN 10.A ND2 VAL 165.A O no hydrogen 2.898 N/A PHE 12.A N LEU 163.A O no hydrogen 2.977 N/A ALA 13.A N GLU 302.A O no hydrogen 3.024 N/A LEU 14.A N PHE 161.A O no hydrogen 2.864 N/A ARG 15.A N LEU 298.A O no hydrogen 3.012 N/A ARG 15.A NE PRO 16.A O no hydrogen 3.357 N/A ARG 15.A NH2 GLU 21.A OE1 no hydrogen 2.759 N/A LEU 17.A N GLY 159.A O no hydrogen 3.033 N/A ASN 18.A N GLU 21.A OE1 no hydrogen 3.206 N/A GLU 21.A N ASN 18.A O no hydrogen 3.073 N/A GLU 21.A N ASN 18.A OD1 no hydrogen 3.069 N/A LEU 22.A N PRO 19.A O no hydrogen 2.846 N/A ARG 23.A N GLU 20.A O no hydrogen 3.206 N/A TRP 25.A N SER 64.A O no hydrogen 2.932 N/A ARG 26.A N GLY 92.A O no hydrogen 2.595 N/A LEU 27.A N LEU 62.A O no hydrogen 3.074 N/A GLU 28.A N TYR 89.A O no hydrogen 3.074 N/A VAL 30.A N ARG 87.A O no hydrogen 3.131 N/A ASP 32.A N ALA 85.A O no hydrogen 2.930 N/A GLU 39.A N GLY 36.A O no hydrogen 2.741 N/A LEU 43.A N GLU 39.A O no hydrogen 3.058 N/A LEU 44.A N VAL 40.A O no hydrogen 3.022 N/A ALA 45.A N TYR 41.A O no hydrogen 3.143 N/A VAL 47.A N LEU 43.A O no hydrogen 2.844 N/A ALA 48.A N LEU 44.A O no hydrogen 2.823 N/A ARG 49.A N ALA 45.A O no hydrogen 3.368 N/A ARG 49.A NH2 GLN 116.A OE1 no hydrogen 3.117 N/A ARG 50.A N GLN 46.A O no hydrogen 2.946 N/A ARG 50.A NE THR 76.A O no hydrogen 3.093 N/A ALA 51.A N VAL 47.A O no hydrogen 2.807 N/A GLY 52.A N ARG 49.A O no hydrogen 2.811 N/A VAL 54.A N SER 66.A OG no hydrogen 2.605 N/A THR 55.A OG1 GLY 52.A O no hydrogen 3.405 N/A VAL 56.A N ALA 63.A O no hydrogen 2.684 N/A MET 58.A N GLY 61.A O no hydrogen 2.602 N/A GLY 61.A N MET 58.A O no hydrogen 2.941 N/A LEU 62.A N LEU 27.A O no hydrogen 2.821 N/A ALA 63.A N VAL 56.A O no hydrogen 2.782 N/A SER 64.A N TRP 25.A O no hydrogen 2.863 N/A SER 64.A OG VAL 54.A O no hydrogen 3.116 N/A SER 64.A OG SER 66.A O no hydrogen 3.387 N/A TRP 65.A N VAL 54.A O no hydrogen 2.751 N/A TRP 65.A NE1 GLU 21.A O no hydrogen 2.995 N/A SER 66.A N SER 64.A OG no hydrogen 3.205 N/A SER 66.A OG SER 64.A OG no hydrogen 3.190 N/A VAL 70.A N PRO 67.A O no hydrogen 2.743 N/A VAL 72.A N ALA 51.A O no hydrogen 2.974 N/A GLY 75.A N TYR 86.A O no hydrogen 3.408 N/A LEU 77.A N TYR 84.A O no hydrogen 2.697 N/A ARG 79.A N GLN 82.A O no hydrogen 2.602 N/A GLN 82.A N MET 80.A O no hydrogen 2.647 N/A TYR 84.A N LEU 77.A O no hydrogen 3.001 N/A TYR 84.A OH GLU 39.A OE1 no hydrogen 3.054 N/A ALA 85.A N ASP 32.A O no hydrogen 2.894 N/A TYR 86.A N GLY 75.A O no hydrogen 2.949 N/A TYR 86.A OH VAL 72.A O no hydrogen 3.038 N/A ARG 87.A N VAL 30.A O no hydrogen 3.071 N/A LEU 88.A N LEU 73.A O no hydrogen 2.824 N/A TYR 89.A N GLU 28.A O no hydrogen 2.632 N/A LYS 91.A N ARG 26.A O no hydrogen 3.041 N/A LYS 91.A NZ GLU 28.A OE2 no hydrogen 2.631 N/A ARG 94.A N PRO 24.A O no hydrogen 2.855 N/A LEU 96.A N LEU 22.A O no hydrogen 3.165 N/A ASP 97.A N GLU 103.A OE1 no hydrogen 3.043 N/A ASP 100.A N ASP 97.A O no hydrogen 2.920 N/A GLY 102.A N ASP 100.A OD1 no hydrogen 2.913 N/A GLU 103.A N ASP 100.A OD1 no hydrogen 3.309 N/A ARG 104.A N ASP 100.A O no hydrogen 2.891 N/A ARG 104.A NE VAL 155.A O no hydrogen 3.054 N/A ARG 104.A NH1 GLU 592.A OE1 no hydrogen 2.752 N/A ARG 104.A NH2 VAL 155.A O no hydrogen 3.207 N/A SER 105.A OG GLY 102.A O no hydrogen 2.840 N/A VAL 106.A N GLU 103.A O no hydrogen 3.204 N/A LEU 107.A N GLU 103.A O no hydrogen 3.104 N/A SER 108.A N ARG 104.A O no hydrogen 3.062 N/A SER 108.A OG ARG 104.A O no hydrogen 3.446 N/A ALA 109.A N VAL 106.A O no hydrogen 2.876 N/A LEU 110.A N VAL 106.A O no hydrogen 3.052 N/A ALA 111.A N LEU 107.A O no hydrogen 3.058 N/A ARG 112.A N SER 108.A O no hydrogen 2.855 N/A ARG 113.A N ALA 109.A O no hydrogen 2.961 N/A ARG 113.A NH1 GLU 117.A OE2 no hydrogen 2.497 N/A LEU 114.A N LEU 110.A O no hydrogen 2.832 N/A LEU 115.A N ALA 111.A O no hydrogen 2.947 N/A GLN 116.A N ARG 112.A O no hydrogen 3.070 N/A GLN 116.A NE2 GLY 129.A O no hydrogen 3.498 N/A GLU 117.A N ARG 113.A O no hydrogen 3.003 N/A ARG 118.A N LEU 114.A O no hydrogen 3.040 N/A LEU 119.A N LEU 115.A O no hydrogen 2.917 N/A ARG 120.A N GLN 116.A O no hydrogen 2.767 N/A ARG 121.A N ARG 118.A O no hydrogen 3.226 N/A LEU 122.A N LEU 119.A O no hydrogen 3.211 N/A TRP 126.A N TYR 133.A O no hydrogen 3.033 N/A GLU 128.A N ALA 131.A O no hydrogen 3.356 N/A VAL 132.A N ALA 149.A O no hydrogen 3.068 N/A TYR 133.A N TRP 126.A O no hydrogen 2.857 N/A ARG 134.A N GLY 147.A O no hydrogen 3.201 N/A ARG 134.A NH2 GLU 287.A OE2 no hydrogen 3.394 N/A ARG 135.A N GLY 147.A O no hydrogen 3.455 N/A HIS 137.A N VAL 145.A O no hydrogen 3.013 N/A HIS 137.A ND1 ARG 135.A O no hydrogen 3.073 N/A ARG 139.A NE GLU 136.A OE1 no hydrogen 2.804 N/A ARG 139.A NH2 GLU 136.A OE2 no hydrogen 3.174 N/A ARG 144.A N LEU 172.A O no hydrogen 2.978 N/A VAL 145.A N ALA 138.A O no hydrogen 2.995 N/A LEU 146.A N ARG 170.A O no hydrogen 2.747 N/A GLY 147.A N ARG 135.A O no hydrogen 2.943 N/A GLY 148.A N ALA 168.A O no hydrogen 2.894 N/A ALA 149.A N VAL 132.A O no hydrogen 2.825 N/A VAL 150.A N ASP 166.A O no hydrogen 3.047 N/A LEU 151.A N LEU 130.A O no hydrogen 2.844 N/A ASP 152.A N GLU 164.A O no hydrogen 3.074 N/A LEU 153.A N ASP 152.A OD1 no hydrogen 2.866 N/A TRP 154.A N LEU 162.A O no hydrogen 2.917 N/A VAL 155.A N SER 108.A OG no hydrogen 2.795 N/A SER 156.A N ALA 160.A O no hydrogen 3.166 N/A SER 156.A OG ALA 160.A O no hydrogen 3.446 N/A SER 158.A OG ASP 157.A OD1 no hydrogen 3.028 N/A GLY 159.A N SER 156.A O no hydrogen 2.914 N/A PHE 161.A N ARG 15.A O no hydrogen 3.320 N/A LEU 162.A N TRP 154.A O no hydrogen 2.606 N/A LEU 163.A N PHE 12.A O no hydrogen 2.874 N/A GLU 164.A N ASP 152.A O no hydrogen 2.624 N/A VAL 165.A N ASN 10.A O no hydrogen 3.326 N/A ASP 166.A N VAL 150.A O no hydrogen 3.289 N/A ALA 168.A N GLY 148.A O no hydrogen 2.930 N/A ARG 170.A N LEU 146.A O no hydrogen 2.664 N/A LEU 172.A N ARG 144.A O no hydrogen 2.892 N/A CYS 173.A SG MET 175.A O no hydrogen 3.888 N/A GLU 174.A N GLY 142.A O no hydrogen 2.292 N/A LEU 177.A N LEU 259.A O no hydrogen 2.652 N/A ALA 179.A N SER 176.A OG no hydrogen 2.710 N/A TRP 180.A N SER 176.A O no hydrogen 2.860 N/A LEU 181.A N LEU 177.A O no hydrogen 3.098 N/A ALA 182.A N GLU 178.A O no hydrogen 2.838 N/A GLN 183.A N ALA 179.A O no hydrogen 2.985 N/A GLY 184.A N LEU 181.A O no hydrogen 3.041 N/A HIS 185.A N TRP 180.A O no hydrogen 3.365 N/A HIS 185.A ND1 TRP 180.A O no hydrogen 3.148 N/A VAL 191.A N TRP 200.A O no hydrogen 2.820 N/A ARG 192.A N VAL 260.A O no hydrogen 2.973 N/A ARG 192.A NH1 ASP 196.A O no hydrogen 3.537 N/A ASN 193.A N ARG 198.A O no hydrogen 2.756 N/A ASN 193.A ND2 ASP 196.A OD1 no hydrogen 3.310 N/A ALA 194.A N LEU 258.A O no hydrogen 2.938 N/A ARG 198.A N ASP 196.A OD1 no hydrogen 2.746 N/A TRP 200.A N VAL 191.A O no hydrogen 2.576 N/A TRP 200.A NE1 ASN 193.A OD1 no hydrogen 2.824 N/A GLU 201.A N ALA 243.A O no hydrogen 3.217 N/A LEU 202.A N LYS 189.A O no hydrogen 2.795 N/A LEU 203.A N TRP 241.A O no hydrogen 3.224 N/A ARG 204.A N TRP 241.A O no hydrogen 3.529 N/A ARG 204.A NH2 LEU 205.A O no hydrogen 3.516 N/A GLY 206.A N VAL 239.A O no hydrogen 2.844 N/A GLU 212.A N ASP 209.A O no hydrogen 2.794 N/A LEU 213.A N PRO 210.A O no hydrogen 3.200 N/A LEU 215.A N LEU 219.A O no hydrogen 2.558 N/A GLY 218.A N LEU 215.A O no hydrogen 2.589 N/A LEU 221.A N LEU 213.A O no hydrogen 2.800 N/A ASP 223.A N SER 220.A OG no hydrogen 2.738 N/A TYR 224.A N SER 220.A O no hydrogen 3.087 N/A ALA 226.A N LEU 222.A O no hydrogen 2.776 N/A SER 227.A N ASP 223.A O no hydrogen 2.883 N/A GLY 229.A N ALA 226.A O no hydrogen 3.060 N/A ARG 230.A N HIS 225.A O no hydrogen 3.463 N/A ARG 230.A NH1 HIS 225.A ND1 no hydrogen 2.964 N/A ARG 234.A N LEU 231.A O no hydrogen 2.850 N/A ARG 238.A N THR 256.A OG1 no hydrogen 3.013 N/A ALA 240.A N HIS 254.A O no hydrogen 2.632 N/A TRP 241.A N ARG 204.A O no hydrogen 3.063 N/A TRP 241.A NE1 GLU 208.A OE2 no hydrogen 2.876 N/A VAL 242.A N ILE 252.A O no hydrogen 2.922 N/A ALA 243.A N GLU 201.A O no hydrogen 2.764 N/A LYS 246.A N ASP 244.A OD2 no hydrogen 2.707 N/A ARG 249.A NH2 GLU 411.A OE1 no hydrogen 3.489 N/A LYS 250.A N ASP 247.A O no hydrogen 3.369 N/A LYS 250.A NZ ASP 247.A OD1 no hydrogen 3.318 N/A ILE 252.A N VAL 242.A O no hydrogen 2.776 N/A THR 256.A N ARG 238.A O no hydrogen 2.848 N/A THR 256.A OG1 GLU 178.A OE1 no hydrogen 2.725 N/A THR 256.A OG1 ARG 238.A O no hydrogen 3.364 N/A GLY 257.A N GLY 236.A O no hydrogen 2.784 N/A LEU 258.A N LEU 255.A O no hydrogen 2.861 N/A LEU 259.A N THR 256.A O no hydrogen 3.065 N/A VAL 260.A N ARG 192.A O no hydrogen 2.964 N/A VAL 262.A N ARG 190.A O no hydrogen 2.902 N/A THR 264.A N ASP 267.A OD1 no hydrogen 3.076 N/A LEU 268.A N THR 264.A O no hydrogen 3.425 N/A HIS 269.A N LEU 265.A O no hydrogen 3.328 N/A GLU 270.A N HIS 269.A ND1 no hydrogen 2.974 N/A ARG 281.A N PRO 277.A O no hydrogen 2.849 N/A ARG 281.A NH2 ASP 166.A OD2 no hydrogen 3.137 N/A ARG 282.A N TRP 278.A O no hydrogen 3.121 N/A ARG 283.A N GLU 279.A O no hydrogen 3.304 N/A ARG 284.A N GLU 280.A O no hydrogen 3.238 N/A THR 285.A N ARG 281.A O no hydrogen 3.031 N/A THR 285.A N ARG 282.A O no hydrogen 3.202 N/A THR 285.A OG1 VAL 165.A O no hydrogen 3.564 N/A ARG 286.A N ARG 282.A O no hydrogen 3.244 N/A GLU 287.A N ARG 283.A O no hydrogen 2.987 N/A ILE 288.A N ARG 284.A O no hydrogen 2.951 N/A ALA 289.A N THR 285.A O no hydrogen 3.033 N/A SER 290.A N ARG 286.A O no hydrogen 3.108 N/A SER 290.A OG ARG 286.A O no hydrogen 3.516 N/A TRP 291.A N GLU 287.A O no hydrogen 3.081 N/A ILE 292.A N ILE 288.A O no hydrogen 2.758 N/A GLY 293.A N ALA 289.A O no hydrogen 2.842 N/A ARG 294.A N SER 290.A O no hydrogen 3.202 N/A ARG 294.A N TRP 291.A O no hydrogen 2.974 N/A ARG 295.A N TRP 291.A O no hydrogen 3.394 N/A ARG 295.A NH1 TRP 291.A O no hydrogen 3.216 N/A LEU 296.A N GLY 293.A O no hydrogen 3.202 N/A GLY 297.A N GLY 293.A O no hydrogen 3.442 N/A GLU 302.A N ALA 13.A O no hydrogen 3.427 N/A VAL 304.A N ARG 11.A O no hydrogen 2.880 N/A ALA 306.A N VAL 7.A O no hydrogen 2.589 N/A GLN 307.A NE2 PRO 590.A O no hydrogen 3.221 N/A ALA 308.A N THR 5.A O no hydrogen 2.873 N/A TYR 309.A N TYR 588.A O no hydrogen 2.785 N/A TYR 309.A OH GLN 307.A OE1 no hydrogen 3.311 N/A LEU 311.A N GLY 586.A O no hydrogen 3.272 N/A MET 317.A N ALA 459.A O no hydrogen 3.393 N/A GLY 318.A N ARG 320.A O no hydrogen 3.263 N/A ARG 319.A N GLY 332.A O no hydrogen 2.874 N/A ARG 319.A NH1 ALA 366.A O no hydrogen 2.602 N/A VAL 322.A N LEU 316.A O no hydrogen 2.995 N/A ASP 327.A N LYS 324.A O no hydrogen 2.672 N/A ALA 328.A N PRO 325.A O no hydrogen 3.023 N/A LEU 329.A N ALA 326.A O no hydrogen 3.137 N/A ARG 330.A N ASP 327.A O no hydrogen 3.066 N/A VAL 331.A N ASP 327.A O no hydrogen 3.000 N/A GLY 332.A N ALA 328.A O no hydrogen 2.721 N/A PHE 333.A N SER 367.A OG no hydrogen 2.884 N/A TYR 334.A N VAL 457.A O no hydrogen 2.740 N/A ARG 335.A N GLN 456.A O no hydrogen 3.125 N/A GLN 337.A NE2 ALA 453.A O no hydrogen 3.368 N/A THR 339.A N SER 370.A O no hydrogen 2.816 N/A THR 339.A OG1 GLN 337.A O no hydrogen 2.916 N/A ALA 340.A N GLN 399.A OE1 no hydrogen 3.150 N/A LEU 341.A N ARG 372.A O no hydrogen 3.043 N/A ALA 342.A N ALA 400.A O no hydrogen 3.278 N/A LEU 343.A N HIS 374.A O no hydrogen 3.386 N/A LEU 344.A N LEU 402.A O no hydrogen 2.803 N/A ARG 345.A NE GLN 350.A O no hydrogen 3.211 N/A ARG 345.A NH2 GLN 350.A O no hydrogen 3.568 N/A LEU 346.A N LEU 404.A O no hydrogen 2.903 N/A TRP 352.A NE1 HIS 374.A O no hydrogen 2.629 N/A LEU 356.A N PRO 353.A O no hydrogen 2.458 N/A ARG 357.A N PRO 353.A O no hydrogen 3.237 N/A ARG 357.A NH1 GLU 354.A OE1 no hydrogen 2.509 N/A ARG 358.A N GLU 354.A O no hydrogen 3.071 N/A ARG 358.A NH2 GLU 436.A OE1 no hydrogen 3.308 N/A ALA 359.A N PHE 355.A O no hydrogen 3.429 N/A LEU 360.A N LEU 356.A O no hydrogen 3.138 N/A LEU 361.A N ARG 357.A O no hydrogen 2.847 N/A ARG 362.A N ARG 358.A O no hydrogen 2.831 N/A ALA 363.A N ALA 359.A O no hydrogen 2.665 N/A PHE 364.A N LEU 360.A O no hydrogen 2.922 N/A GLY 365.A N LEU 361.A O no hydrogen 3.106 N/A ALA 366.A N ARG 362.A O no hydrogen 2.941 N/A SER 367.A N ALA 363.A O no hydrogen 3.128 N/A SER 367.A N PHE 364.A O no hydrogen 3.090 N/A SER 367.A OG ALA 363.A O no hydrogen 2.963 N/A GLY 368.A N PHE 364.A O no hydrogen 2.715 N/A GLY 368.A N GLY 365.A O no hydrogen 3.204 N/A ALA 369.A N PHE 364.A O no hydrogen 3.174 N/A ARG 372.A N THR 339.A O no hydrogen 2.804 N/A HIS 374.A N LEU 341.A O no hydrogen 2.676 N/A LEU 376.A N LEU 343.A O no hydrogen 2.949 N/A GLN 382.A N PRO 380.A O no hydrogen 2.331 N/A PHE 386.A N GLY 383.A O no hydrogen 3.093 N/A GLU 388.A N LEU 384.A O no hydrogen 2.977 N/A ALA 389.A N ALA 385.A O no hydrogen 2.705 N/A LEU 390.A N PHE 386.A O no hydrogen 3.012 N/A ARG 391.A N ARG 387.A O no hydrogen 3.145 N/A ARG 391.A NE GLU 388.A OE1 no hydrogen 3.211 N/A ARG 391.A NE GLU 388.A OE2 no hydrogen 3.233 N/A ARG 391.A NH2 GLU 388.A OE2 no hydrogen 2.569 N/A LYS 392.A N GLU 388.A O no hydrogen 2.995 N/A ALA 393.A N ALA 389.A O no hydrogen 3.081 N/A LYS 394.A N LEU 390.A O no hydrogen 2.982 N/A LYS 394.A NZ GLY 424.A O no hydrogen 3.067 N/A GLU 395.A N ARG 391.A O no hydrogen 3.021 N/A GLU 396.A N LYS 392.A O no hydrogen 2.825 N/A GLY 397.A N LYS 394.A O no hydrogen 3.108 N/A VAL 398.A N ALA 393.A O no hydrogen 2.883 N/A GLN 399.A N ALA 340.A O no hydrogen 2.822 N/A GLN 399.A NE2 GLU 338.A O no hydrogen 3.533 N/A VAL 401.A N PRO 426.A O no hydrogen 3.087 N/A LEU 402.A N ALA 342.A O no hydrogen 2.940 N/A VAL 403.A N GLN 428.A O no hydrogen 2.977 N/A LEU 404.A N LEU 344.A O no hydrogen 3.105 N/A THR 405.A N LEU 430.A O no hydrogen 3.295 N/A THR 405.A OG1 PRO 406.A O no hydrogen 3.083 N/A ARG 413.A N ALA 409.A O no hydrogen 3.005 N/A ASN 414.A N TRP 410.A O no hydrogen 3.247 N/A ARG 415.A N GLU 411.A O no hydrogen 2.910 N/A LEU 416.A N ASP 412.A O no hydrogen 3.178 N/A LYS 417.A N ARG 413.A O no hydrogen 3.184 N/A LYS 417.A NZ SER 427.A O no hydrogen 2.918 N/A LYS 417.A NZ SER 427.A OG no hydrogen 3.411 N/A ALA 418.A N ASN 414.A O no hydrogen 3.047 N/A LEU 419.A N ARG 415.A O no hydrogen 2.895 N/A LEU 420.A N LEU 416.A O no hydrogen 3.127 N/A LEU 421.A N LYS 417.A O no hydrogen 3.081 N/A ARG 422.A N LEU 419.A O no hydrogen 3.154 N/A GLY 424.A N LEU 421.A O no hydrogen 3.016 N/A LEU 425.A N LEU 420.A O no hydrogen 2.941 N/A GLN 428.A N VAL 401.A O no hydrogen 3.192 N/A GLN 428.A NE2 ILE 429.A O no hydrogen 2.982 N/A LEU 430.A N VAL 403.A O no hydrogen 2.957 N/A VAL 432.A N THR 405.A O no hydrogen 2.971 N/A ARG 435.A NE GLU 438.A OE2 no hydrogen 3.141 N/A GLU 438.A N GLU 436.A O no hydrogen 2.821 N/A ARG 441.A N GLU 438.A O no hydrogen 3.149 N/A ARG 441.A NH1 ASN 431.A O no hydrogen 3.097 N/A ARG 441.A NH2 PRO 433.A O no hydrogen 3.136 N/A ARG 441.A NH2 GLU 438.A OE1 no hydrogen 2.588 N/A TRP 442.A NE1 GLU 436.A O no hydrogen 3.241 N/A GLU 443.A N ARG 439.A O no hydrogen 3.268 N/A ASN 444.A ND2 TYR 637.A O no hydrogen 3.534 N/A ALA 445.A N ARG 441.A O no hydrogen 2.991 N/A LEU 446.A N TRP 442.A O no hydrogen 2.893 N/A LEU 447.A N GLU 443.A O no hydrogen 3.174 N/A GLY 448.A N ASN 444.A O no hydrogen 2.937 N/A LEU 449.A N ALA 445.A O no hydrogen 3.039 N/A LEU 450.A N LEU 446.A O no hydrogen 3.162 N/A ALA 451.A N LEU 447.A O no hydrogen 2.813 N/A LYS 452.A N GLY 448.A O no hydrogen 2.891 N/A LYS 452.A NZ SER 427.A O no hydrogen 2.460 N/A LYS 452.A NZ GLN 428.A OE1 no hydrogen 3.311 N/A ALA 453.A N LEU 449.A O no hydrogen 2.933 N/A GLY 454.A N ALA 451.A O no hydrogen 3.331 N/A LEU 455.A N LEU 450.A O no hydrogen 2.980 N/A VAL 457.A N LEU 455.A O no hydrogen 3.232 N/A ALA 459.A N MET 317.A O no hydrogen 3.303 N/A GLY 462.A N SER 461.A OG no hydrogen 2.613 N/A TYR 464.A OH HIS 632.A ND1 no hydrogen 2.897 N/A ALA 466.A N GLN 629.A OE1 no hydrogen 3.243 N/A GLU 467.A N ARG 535.A O no hydrogen 3.380 N/A ALA 469.A N VAL 489.A O no hydrogen 3.060 N/A VAL 470.A N LEU 537.A O no hydrogen 2.783 N/A GLY 471.A N CYS 487.A O no hydrogen 2.892 N/A PHE 472.A N LEU 539.A O no hydrogen 2.833 N/A ASP 473.A N ALA 485.A O no hydrogen 2.913 N/A GLY 475.A N ASP 473.A OD1 no hydrogen 2.621 N/A ARG 477.A N ALA 474.A O no hydrogen 2.958 N/A ARG 477.A NH1 PHE 482.A O no hydrogen 3.311 N/A SER 479.A N ARG 477.A O no hydrogen 2.737 N/A GLY 483.A N ARG 481.A O no hydrogen 2.592 N/A ALA 485.A N ASP 473.A O no hydrogen 2.943 N/A ALA 486.A N THR 499.A O no hydrogen 2.998 N/A CYS 487.A N GLY 471.A O no hydrogen 3.122 N/A ALA 488.A N LEU 497.A O no hydrogen 2.675 N/A VAL 489.A N ALA 469.A O no hydrogen 2.946 N/A HIS 495.A N GLY 493.A O no hydrogen 2.380 N/A LEU 496.A N ALA 488.A O no hydrogen 3.113 N/A THR 499.A N ALA 486.A O no hydrogen 2.872 N/A THR 499.A OG1 LEU 500.A O no hydrogen 3.513 N/A GLU 512.A N ILE 509.A O no hydrogen 2.679 N/A VAL 513.A N ILE 509.A O no hydrogen 3.395 N/A VAL 514.A N PRO 510.A O no hydrogen 2.943 N/A TRP 515.A N GLN 511.A O no hydrogen 3.125 N/A ASP 516.A N GLU 512.A O no hydrogen 2.922 N/A LEU 517.A N VAL 513.A O no hydrogen 2.919 N/A LEU 518.A N VAL 514.A O no hydrogen 3.218 N/A GLU 519.A N TRP 515.A O no hydrogen 2.675 N/A GLU 520.A N ASP 516.A O no hydrogen 2.862 N/A THR 521.A N LEU 517.A O no hydrogen 3.227 N/A THR 521.A OG1 LEU 518.A O no hydrogen 2.477 N/A LEU 522.A N LEU 518.A O no hydrogen 3.009 N/A TRP 523.A NE1 GLU 519.A OE1 no hydrogen 3.224 N/A ALA 524.A N GLU 520.A O no hydrogen 2.879 N/A PHE 525.A N THR 521.A O no hydrogen 2.816 N/A ARG 526.A N LEU 522.A O no hydrogen 2.703 N/A ARG 527.A N TRP 523.A O no hydrogen 2.825 N/A LYS 528.A N ALA 524.A O no hydrogen 2.925 N/A ALA 529.A N ARG 526.A O no hydrogen 3.007 N/A GLY 530.A N ARG 526.A O no hydrogen 2.599 N/A SER 534.A N GLU 467.A OE2 no hydrogen 2.550 N/A SER 534.A OG GLU 467.A OE2 no hydrogen 2.824 N/A ARG 535.A NE ASP 564.A OD2 no hydrogen 2.972 N/A ARG 535.A NH2 ASP 564.A OD2 no hydrogen 3.289 N/A VAL 536.A N ALA 562.A O no hydrogen 2.919 N/A LEU 537.A N LEU 468.A O no hydrogen 3.063 N/A LEU 538.A N ASP 564.A O no hydrogen 2.972 N/A LEU 539.A N VAL 470.A O no hydrogen 3.104 N/A ARG 540.A N VAL 566.A O no hydrogen 2.987 N/A ARG 540.A NE GLU 617.A OE1 no hydrogen 2.887 N/A ARG 540.A NH1 VAL 544.A O no hydrogen 2.661 N/A ARG 540.A NH2 GLU 617.A OE1 no hydrogen 3.519 N/A ARG 540.A NH2 GLU 617.A OE2 no hydrogen 2.839 N/A GLY 542.A N VAL 568.A O no hydrogen 2.701 N/A VAL 544.A N ASP 541.A O no hydrogen 3.373 N/A GLU 548.A N PRO 545.A O no hydrogen 3.294 N/A PHE 549.A N GLN 546.A O no hydrogen 3.238 N/A ALA 550.A N ASP 547.A O no hydrogen 3.139 N/A LEU 553.A N PHE 549.A O no hydrogen 2.763 N/A GLU 554.A N ALA 550.A O no hydrogen 2.961 N/A ALA 555.A N LEU 551.A O no hydrogen 2.959 N/A ALA 555.A N ALA 552.A O no hydrogen 3.228 N/A LEU 556.A N ALA 552.A O no hydrogen 3.171 N/A ALA 557.A N LEU 553.A O no hydrogen 3.048 N/A ARG 558.A N GLU 554.A O no hydrogen 3.038 N/A GLU 559.A N ALA 555.A O no hydrogen 2.844 N/A GLY 560.A N ALA 557.A O no hydrogen 3.149 N/A ILE 561.A N LEU 556.A O no hydrogen 2.733 N/A ALA 562.A N SER 534.A O no hydrogen 3.005 N/A ASP 564.A N VAL 536.A O no hydrogen 3.219 N/A LEU 565.A N ALA 618.A O no hydrogen 2.899 N/A VAL 566.A N LEU 538.A O no hydrogen 2.981 N/A SER 567.A N VAL 615.A O no hydrogen 3.037 N/A SER 567.A OG VAL 615.A O no hydrogen 3.561 N/A SER 567.A OG GLU 617.A OE2 no hydrogen 2.936 N/A VAL 568.A N ARG 540.A O no hydrogen 2.631 N/A ARG 569.A N LYS 613.A O no hydrogen 3.119 N/A ARG 575.A N ASN 10.A OD1 no hydrogen 2.730 N/A TYR 577.A N PHE 8.A O no hydrogen 2.636 N/A ARG 582.A NH1 PHE 605.A O no hydrogen 2.947 N/A LEU 587.A N ASP 585.A O no hydrogen 2.856 N/A LEU 587.A N LEU 599.A O no hydrogen 3.042 N/A TYR 588.A N TYR 309.A O no hydrogen 2.705 N/A VAL 589.A N LEU 597.A O no hydrogen 3.069 N/A LEU 591.A N THR 595.A O no hydrogen 2.961 N/A GLU 592.A N THR 595.A O no hydrogen 3.467 N/A THR 595.A N GLU 592.A O no hydrogen 3.449 N/A PHE 596.A N LEU 614.A O no hydrogen 3.055 N/A LEU 597.A N VAL 589.A O no hydrogen 2.866 N/A LEU 598.A N LEU 612.A O no hydrogen 3.196 N/A LEU 599.A N LEU 587.A O no hydrogen 2.970 N/A THR 600.A OG1 THR 600.A O no hydrogen 2.633 N/A LEU 612.A N LEU 598.A O no hydrogen 3.122 N/A LYS 613.A N ARG 569.A O no hydrogen 2.941 N/A LYS 613.A NZ GLY 572.A O no hydrogen 3.045 N/A LEU 614.A N PHE 596.A O no hydrogen 2.929 N/A VAL 615.A N SER 567.A O no hydrogen 3.039 N/A HIS 616.A N LYS 594.A O no hydrogen 2.812 N/A GLU 617.A N LEU 565.A O no hydrogen 2.902 N/A ALA 618.A N LEU 565.A O no hydrogen 3.262 N/A THR 621.A N ASP 564.A OD1 no hydrogen 3.295 N/A THR 621.A OG1 ASP 564.A OD2 no hydrogen 2.924 N/A LEU 626.A N PRO 622.A O no hydrogen 3.181 N/A ALA 627.A N LEU 623.A O no hydrogen 2.787 N/A HIS 628.A N GLU 624.A O no hydrogen 3.072 N/A HIS 628.A N ALA 625.A O no hydrogen 3.248 N/A GLN 629.A N ALA 625.A O no hydrogen 3.225 N/A GLN 629.A NE2 ALA 466.A O no hydrogen 2.981 N/A ILE 630.A N LEU 626.A O no hydrogen 3.017 N/A PHE 631.A N ALA 627.A O no hydrogen 2.950 N/A HIS 632.A N HIS 628.A O no hydrogen 2.832 N/A HIS 632.A ND1 TYR 464.A OH no hydrogen 2.897 N/A HIS 632.A NE2 SER 312.A O no hydrogen 2.696 N/A LEU 633.A N GLN 629.A O no hydrogen 2.904 N/A THR 634.A N ILE 630.A O no hydrogen 2.855 N/A THR 634.A OG1 ILE 630.A O no hydrogen 3.467 N/A ARG 635.A N PHE 631.A O no hydrogen 3.340 N/A LEU 636.A N HIS 632.A O no hydrogen 3.219 N/A TYR 637.A N LEU 633.A O no hydrogen 3.318 N/A